| 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 | 90.1 | Very high | 90.5 | Very high | 182 Ų | 182 | 86.5 Ų | 86.5 | 90% | 0.897 | 52% | 0.52 | S | S | * | . | 0 | 156.3 | 0 | 175.8 | 166.6 | 54.8 | 0 | 0 | 108.7 | I3 L80 | M1-I3 HydrophobicContact CE-CD1 3.89Å; M1-I3 HydrophobicContact CE-CG1 4.33Å; M1-I3 HydrophobicContact CG-CG1 4.09Å; M1-I3 HydrophobicContact SD-CD1 4.17Å; M1-I3 HydrophobicContact SD-CG1 4.15Å; M1-L80 HydrophobicContact CE-CD1 3.53Å | |||
| 2 | V | 93.7 | Very high | 90.6 | Very high | 137 Ų | 137 | 79.4 Ų | 79.4 | 83% | 0.83 | 48% | 0.477 | S | S | * | . | trans | -127.4 | 119.8 | 169.5 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | I | 94.3 | Very high | 90.6 | Very high | 85 Ų | 85 | 75.9 Ų | 75.9 | 44% | 0.436 | 45% | 0.454 | S | S | . | . | trans | -110.5 | 132.4 | 171.1 | -55.3 | 179.4 | 0 | 0 | 0 | 106.4 | M1 H5 L80 | M1-I3 HydrophobicContact CE-CD1 3.89Å; M1-I3 HydrophobicContact CE-CG1 4.33Å; M1-I3 HydrophobicContact CG-CG1 4.09Å; M1-I3 HydrophobicContact SD-CD1 4.17Å; M1-I3 HydrophobicContact SD-CG1 4.15Å; I3-H5 WeakPolarHBondContact CG2-CE1 3.22Å; I3-L80 HydrophobicContact CD1-CD1 4.46Å; I3-L80 HydrophobicContact CD1-CD2 4.09Å | ||
| 4 | S | 94.2 | Very high | 90.6 | Very high | 111 Ų | 111 | 70.9 Ų | 70.9 | 78% | 0.776 | 42% | 0.424 | S | S | * | . | trans | -133.7 | 84 | -174.7 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 5 | H | 92.9 | Very high | 90.6 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 33% | 0.333 | 41% | 0.411 | S | S | . | . | trans | -60.4 | 139.8 | 175.6 | -58.2 | 78.1 | 0 | 0 | 0 | 110.7 | I3 V73 S76 | I3-H5 WeakPolarHBondContact CG2-CE1 3.22Å; H5-V73 HydrophobicContact CB-CG1 4.33Å; H5-V73 HydrophobicContact CB-CG2 3.93Å; H5-S76 VanDerWaalsContact NE2-CB 3.29Å; H5-S76 WeakPolarHBondContact NE2-CB 3.42Å; H5-S76 PolarHBondContact NE2-OG 3.08Å | ||
| 6 | A | 91 | Very high | 90.6 | Very high | 85 Ų | 85 | 70.3 Ų | 70.3 | 70% | 0.702 | 43% | 0.428 | S | S | * | . | trans | -79.9 | -25.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H9 | A6-H9 WeakPolarHBondContact O-CA 3.48Å; A6-H9 WeakPolarHBondContact O-CB 3.36Å; A6-H9 PolarHBondContact O-N 3.3Å | ||
| 7 | A | 91.9 | Very high | 90.7 | Very high | 30 Ų | 30 | 73.2 Ų | 73.2 | 25% | 0.248 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 141.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | T69 V73 | A7-T69 HydrophobicContact CB-CG2 3.73Å; A7-V73 HydrophobicContact CB-CG2 3.62Å |
| 8 | P | 91.8 | Very high | 90.8 | Very high | 30 Ų | 30 | 70.1 Ų | 70.1 | 20% | 0.195 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -97.5 | 40 | 2.8 | 38.5 | -34.8 | 0 | 0 | 0 | 113.2 | R66 L70 | P8-R66 HydrophobicContact CB-CB 4.15Å; P8-R66 HydrophobicContact CB-CG 4.32Å; P8-R66 WeakPolarHBondContact CB-O 3.45Å; P8-R66 PolarHBondContact O-NH1 3.1Å; P8-L70 HydrophobicContact CG-CD1 4.47Å |
| 9 | H | 87.9 | Confident | 90.7 | Very high | 113 Ų | 113 | 68.1 Ų | 68.1 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -68.3 | 148.6 | 172.2 | -168.7 | -79 | 0 | 0 | 0 | 111.6 | A6 | A6-H9 WeakPolarHBondContact O-CA 3.48Å; A6-H9 WeakPolarHBondContact O-CB 3.36Å; A6-H9 PolarHBondContact O-N 3.3Å |
| 10 | G | 82.4 | Confident | 90.7 | Very high | 22 Ų | 22 | 73.8 Ų | 73.8 | 23% | 0.227 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -65 | 149.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E12 | G10-E12 WeakPolarHBondContact CA-OE1 3.45Å; G10-E12 PolarHBondContact N-OE1 3.19Å |
| 11 | P | 85.3 | Confident | 90.8 | Very high | 85 Ų | 85 | 73.5 Ų | 73.5 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | S | Bend | cis | -68.7 | 131.9 | -0.1 | 29.7 | -35 | 0 | 0 | 0 | 111.7 | D13 | P11-D13 PolarHBondContact O-N 3.34Š|
| 12 | E | 91.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | trans | -83.3 | 54.2 | -169.8 | -56 | 84.3 | -179.3 | 0 | 0 | 111.2 | G10 L62 K65 R66 T69 K112 H537 W538 | G10-E12 WeakPolarHBondContact CA-OE1 3.45Å; G10-E12 PolarHBondContact N-OE1 3.19Å; E12-L62 HydrophobicContact CB-CD1 4.37Å; E12-L62 HydrophobicContact CG-CD1 3.7Å; E12-L62 WeakPolarHBondContact OE1-CD1 3.49Å; E12-K65 HydrophobicContact CB-CB 3.94Å; E12-K65 WeakPolarHBondContact O-CB 3.25Å; E12-K65 WeakPolarHBondContact O-CD 3.31Å; E12-R66 HydrophobicContact CB-CG 4.36Å; E12-R66 HydrophobicContact CG-CG 3.87Å; E12-T69 PolarHBondContact O-OG1 2.92Å; E12-K112 VanDerWaalsContact CD-NZ 3.34Å; E12-K112 IonicContact OE1-NZ 3.98Å; E12-K112 PolarHBondContact OE1-NZ 2.63Å; E12-K112 IonicContact OE2-NZ 3.02Å; E12-K112 PolarHBondContact OE2-NZ 3Å; E12-H537 IonicContact OE1-NE2 3.03Å; E12-H537 IonicContact OE2-CE1 3.11Å; E12-H537 IonicContact OE2-NE2 2.64Å; E12-H537 PolarHBondContact OE2-NE2 2.98Å; E12-W538 PolarHBondContact OE2-NE1 3.15Å; E12-W538 VanDerWaalsContact OE2-NE1 3.09Å | ||
| 13 | D | 90.9 | Very high | 90.6 | Very high | 34 Ų | 34 | 66.5 Ų | 66.5 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 122.2 | -179.3 | -80.2 | -57.5 | 0 | 0 | 0 | 111.1 | P11 K65 T69 Q539 T540 | P11-D13 PolarHBondContact O-N 3.34Å; D13-K65 IonicContact OD1-NZ 3.98Å; D13-T69 WeakPolarHBondContact O-CG2 3.4Å; D13-T69 PolarHBondContact O-OG1 3.38Å; D13-Q539 VanDerWaalsContact CG-N 3.26Å; D13-Q539 PolarHBondContact OD1-N 2.96Å; D13-Q539 PolarHBondContact OD2-N 3.08Å; D13-T540 HydrophobicContact CB-CG2 4.02Å; D13-T540 WeakPolarHBondContact OD1-CB 3.4Å; D13-T540 PolarHBondContact OD1-N 3.21Å; D13-T540 PolarHBondContact OD1-OG1 2.9Å |
| 14 | S | 90.8 | Very high | 90.3 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 4% | 0.035 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 150.8 | -178.5 | 60.4 | 0 | 0 | 0 | 0 | 112 | Q68 | S14-Q68 VanDerWaalsContact CB-CB 3.5Š|
| 15 | A | 90.9 | Very high | 90.2 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 22% | 0.223 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 145.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q17 F18 | A15-Q17 VanDerWaalsContact C-N 3.26Å; A15-Q17 VanDerWaalsContact CB-OE1 3.31Å; A15-Q17 PolarHBondContact O-N 3.39Å; A15-Q17 VanDerWaalsContact O-N 3.08Å; A15-F18 HydrophobicContact CB-CD2 3.94Å; A15-F18 HydrophobicContact CB-CE2 4.24Å; A15-F18 PolarHBondContact O-N 3.07Å |
| 16 | P | 90.2 | Very high | 90.1 | Very high | 105 Ų | 105 | 64.2 Ų | 64.2 | 68% | 0.682 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -54.7 | -35.9 | -166.8 | -29.6 | 36.5 | 0 | 0 | 0 | 115 | F18 S19 | P16-F18 VanDerWaalsContact C-N 3.26Å; P16-F18 PolarHBondContact O-N 3.37Å; P16-S19 WeakPolarHBondContact O-CB 3.42Å; P16-S19 PolarHBondContact O-N 3.28Å; P16-S19 PolarHBondContact O-OG 2.91Å |
| 17 | Q | 91.5 | Very high | 90 | Very high | 121 Ų | 121 | 66.3 Ų | 66.3 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -63.3 | -27.6 | 178.4 | 69.5 | -82 | 20.1 | 0 | 0 | 113.7 | A15 | A15-Q17 VanDerWaalsContact C-N 3.26Å; A15-Q17 VanDerWaalsContact CB-OE1 3.31Å; A15-Q17 PolarHBondContact O-N 3.39Å; A15-Q17 VanDerWaalsContact O-N 3.08Å |
| 18 | F | 93.2 | Very high | 90 | Very high | 17 Ų | 17 | 65.4 Ų | 65.4 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -93.9 | -9.9 | -178.7 | -53 | -49.1 | 0 | 0 | 0 | 113.7 | A15 P16 K20 L21 Q68 M71 S72 D75 | A15-F18 HydrophobicContact CB-CD2 3.94Å; A15-F18 HydrophobicContact CB-CE2 4.24Å; A15-F18 PolarHBondContact O-N 3.07Å; P16-F18 VanDerWaalsContact C-N 3.26Å; P16-F18 PolarHBondContact O-N 3.37Å; F18-K20 PolarHBondContact O-N 3.08Å; F18-L21 HydrophobicContact CB-CD1 4.12Å; F18-L21 HydrophobicContact CD1-CD1 3.76Å; F18-L21 HydrophobicContact CG-CD1 4.37Å; F18-L21 WeakPolarHBondContact O-CB 3.38Å; F18-L21 PolarHBondContact O-N 3.15Å; F18-Q68 HydrophobicContact CB-CB 4.47Å; F18-Q68 WeakPolarHBondContact CB-O 3.25Å; F18-Q68 WeakPolarHBondContact O-CG 3.4Å; F18-M71 HydrophobicContact CB-CB 4.23Å; F18-M71 HydrophobicContact CD1-CB 3.61Å; F18-M71 HydrophobicContact CD1-CG 4.11Å; F18-M71 HydrophobicContact CD2-CB 3.6Å; F18-M71 HydrophobicContact CE1-CB 3.76Å; F18-M71 HydrophobicContact CE2-CB 3.75Å; F18-M71 HydrophobicContact CG-CB 3.53Å; F18-M71 HydrophobicContact CG-CG 4.21Å; F18-M71 HydrophobicContact CZ-CB 3.83Å; F18-S72 WeakPolarHBondContact CE2-OG 3.49Å; F18-D75 WeakPolarHBondContact CZ-OD1 3.43Å |
| 19 | S | 89.1 | Confident | 90.1 | Very high | 31 Ų | 31 | 68 Ų | 68 | 22% | 0.217 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -17.9 | -175.1 | 63.5 | 0 | 0 | 0 | 0 | 115.8 | P16 Q68 | P16-S19 WeakPolarHBondContact O-CB 3.42Å; P16-S19 PolarHBondContact O-N 3.28Å; P16-S19 PolarHBondContact O-OG 2.91Å; S19-Q68 VanDerWaalsContact C-NE2 3.34Å; S19-Q68 PolarHBondContact O-NE2 2.78Å |
| 20 | K | 90.3 | Very high | 90.5 | Very high | 182 Ų | 182 | 64.4 Ų | 64.4 | 79% | 0.791 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -6.2 | 178.7 | -60.3 | -175.9 | -178.5 | 177.8 | 0 | 114.3 | F18 | F18-K20 PolarHBondContact O-N 3.08Š|
| 21 | L | 92.2 | Very high | 91.2 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 36% | 0.356 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -76.1 | 161.9 | -177.7 | -62.3 | 178.7 | 0 | 0 | 0 | 112.2 | F18 Q68 M71 | F18-L21 HydrophobicContact CB-CD1 4.12Å; F18-L21 HydrophobicContact CD1-CD1 3.76Å; F18-L21 HydrophobicContact CG-CD1 4.37Å; F18-L21 WeakPolarHBondContact O-CB 3.38Å; F18-L21 PolarHBondContact O-N 3.15Å; L21-Q68 HydrophobicContact CB-CG 4.39Å; L21-Q68 PolarHBondContact O-NE2 3.44Å; L21-M71 HydrophobicContact CD1-CG 3.88Å |
| 22 | Y | 92.9 | Very high | 91.7 | Very high | 94 Ų | 94 | 62.9 Ų | 62.9 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | trans | 52.1 | 44.8 | 175.1 | -49.5 | -72.8 | 0 | 0 | 0 | 116.4 | N24 A25 R64 L67 Q68 M71 | Y22-N24 PolarHBondContact O-N 2.91Å; Y22-N24 VanDerWaalsContact O-N 3.12Å; Y22-A25 WeakPolarHBondContact O-CB 3.23Å; Y22-A25 PolarHBondContact O-N 3.44Å; Y22-R64 WeakPolarHBondContact O-CG 3.3Å; Y22-L67 HydrophobicContact CD1-CB 4.45Å; Y22-L67 HydrophobicContact CD1-CD1 4.04Å; Y22-L67 HydrophobicContact CD2-CB 3.48Å; Y22-L67 VanDerWaalsContact CD2-CB 3.48Å; Y22-L67 HydrophobicContact CD2-CD1 4.45Å; Y22-L67 HydrophobicContact CE2-CB 3.77Å; Y22-L67 HydrophobicContact CG-CB 3.86Å; Y22-L67 HydrophobicContact CG-CD1 3.97Å; Y22-Q68 HydrophobicContact CD2-CG 4.25Å; Y22-M71 HydrophobicContact CE2-CG 3.98Å; Y22-M71 HydrophobicContact CE2-SD 4.13Å; Y22-M71 PolarHBondContact OH-SD 2.93Å | ||
| 23 | P | 88.4 | Confident | 91.9 | Very high | 78 Ų | 78 | 64 Ų | 64 | 51% | 0.506 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -37.8 | -178.5 | 21.9 | -33.1 | 0 | 0 | 0 | 112.9 | R64 | P23-R64 VanDerWaalsContact O-CZ 3.27Å; P23-R64 PolarHBondContact O-NE 3.07Å; P23-R64 PolarHBondContact O-NH2 3.43Å |
| 24 | N | 88 | Confident | 92.2 | Very high | 143 Ų | 143 | 64.3 Ų | 64.3 | 77% | 0.765 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 48.2 | -175.6 | -59.9 | -11 | 0 | 0 | 0 | 112.8 | Y22 S26 | Y22-N24 PolarHBondContact O-N 2.91Å; Y22-N24 VanDerWaalsContact O-N 3.12Å; N24-S26 VanDerWaalsContact C-N 3.35Å; N24-S26 PolarHBondContact O-N 3.29Å |
| 25 | A | 91 | Very high | 92.4 | Very high | 8 Ų | 8 | 69 Ų | 69 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | trans | -73.6 | 70.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y22 H28 Q63 R64 L67 | Y22-A25 WeakPolarHBondContact O-CB 3.23Å; Y22-A25 PolarHBondContact O-N 3.44Å; A25-H28 PolarHBondContact O-ND1 3.29Å; A25-Q63 HydrophobicContact CB-CG 4.13Å; A25-Q63 WeakPolarHBondContact O-CG 3.46Å; A25-R64 HydrophobicContact CB-CB 4.11Å; A25-L67 HydrophobicContact CB-CD1 3.92Å | ||
| 26 | S | 91 | Very high | 92.5 | Very high | 69 Ų | 69 | 68.7 Ų | 68.7 | 48% | 0.483 | 36% | 0.36 | S | S | . | . | trans | -88.3 | 0.2 | -176.7 | 57.4 | 0 | 0 | 0 | 0 | 115.8 | N24 H28 I29 | N24-S26 VanDerWaalsContact C-N 3.35Å; N24-S26 PolarHBondContact O-N 3.29Å; S26-H28 PolarHBondContact O-N 3.46Å; S26-I29 WeakPolarHBondContact O-CB 3.31Å; S26-I29 PolarHBondContact O-N 2.85Å | ||
| 27 | Q | 88.9 | Confident | 92.6 | Very high | 129 Ų | 129 | 67.3 Ų | 67.3 | 60% | 0.603 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.3 | -171.7 | -59.1 | 82.9 | -0.8 | 0 | 0 | 114.8 | I29 | Q27-I29 VanDerWaalsContact C-N 3.33Š|
| 28 | H | 91.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -10.7 | 175.9 | 76.3 | -77.8 | 0 | 0 | 0 | 113.5 | A25 S26 T30 Y33 N60 Q63 I105 Q107 | A25-H28 PolarHBondContact O-ND1 3.29Å; S26-H28 PolarHBondContact O-N 3.46Å; H28-T30 PolarHBondContact O-N 3.13Å; H28-Y33 AromaticContact CD2-CD2 3.85Å; H28-Y33 AromaticContact CD2-CE2 3.49Å; H28-Y33 VanDerWaalsContact CD2-CE2 3.49Å; H28-Y33 WeakPolarHBondContact CD2-CE2 3.41Å; H28-Y33 AromaticContact NE2-CE2 3.4Å; H28-Y33 WeakPolarHBondContact NE2-CE2 3.29Å; H28-Y33 AromaticContact NE2-CZ 3.92Å; H28-N60 PolarHBondContact CE1-OD1 3.31Å; H28-Q63 HydrophobicContact CB-CB 4.25Å; H28-Q63 HydrophobicContact CB-CG 3.97Å; H28-Q63 WeakPolarHBondContact ND1-CB 3.44Å; H28-I105 HydrophobicContact CB-CB 4.26Å; H28-I105 HydrophobicContact CB-CG2 4.35Å; H28-Q107 PolarHBondContact O-NE2 2.85Å |
| 29 | I | 95.1 | Very high | 92.5 | Very high | 85 Ų | 85 | 67.1 Ų | 67.1 | 44% | 0.436 | 35% | 0.353 | S | S | . | . | trans | -85.7 | 89.2 | -179 | -55.5 | 178.2 | 0 | 0 | 0 | 108.9 | S26 Q27 Y33 | S26-I29 WeakPolarHBondContact O-CB 3.31Å; S26-I29 PolarHBondContact O-N 2.85Å; Q27-I29 VanDerWaalsContact C-N 3.33Å; I29-Y33 HydrophobicContact CB-CG 4.46Å; I29-Y33 HydrophobicContact CG1-CD1 4.43Å; I29-Y33 HydrophobicContact CG1-CD2 4.46Å; I29-Y33 HydrophobicContact CG1-CE1 4.33Å; I29-Y33 HydrophobicContact CG1-CE2 4.39Å; I29-Y33 HydrophobicContact CG1-CG 4.48Å; I29-Y33 HydrophobicContact CG2-CD1 3.9Å; I29-Y33 HydrophobicContact CG2-CE1 4.39Å; I29-Y33 HydrophobicContact CG2-CG 4.18Å | ||
| 30 | T | 95.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 68.1 Ų | 68.1 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | trans | -95.6 | 168.7 | 174.8 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | H28 S32 Y33 Q107 Y592 | H28-T30 PolarHBondContact O-N 3.13Å; T30-S32 PolarHBondContact O-N 3.04Å; T30-S32 VanDerWaalsContact O-N 3.09Å; T30-S32 PolarHBondContact OG1-OG 3.2Å; T30-Y33 WeakPolarHBondContact O-CB 3.44Å; T30-Y33 PolarHBondContact O-N 3.08Å; T30-Y33 PolarHBondContact OG1-N 2.95Å; T30-Q107 PolarHBondContact OG1-NE2 3.21Å; T30-Y592 HydrophobicContact CG2-CD1 4.19Å; T30-Y592 HydrophobicContact CG2-CE1 3.8Å | ||
| 31 | P | 96.7 | Very high | 92.8 | Very high | 73 Ų | 73 | 59.4 Ų | 59.4 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -22 | 169.2 | -29.9 | 38.9 | 0 | 0 | 0 | 115 | Y592 L594 | P31-Y592 HydrophobicContact CB-CD2 3.94Å; P31-Y592 HydrophobicContact CB-CE2 4.41Å; P31-Y592 HydrophobicContact CB-CG 4.19Å; P31-Y592 HydrophobicContact CG-CD2 3.63Å; P31-Y592 HydrophobicContact CG-CE2 3.59Å; P31-Y592 HydrophobicContact CG-CG 4.17Å; P31-L594 HydrophobicContact CB-CD1 4.18Å |
| 32 | S | 95.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -9.6 | 172.2 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | T30 N34 Y35 Q107 F108 Y592 | T30-S32 PolarHBondContact O-N 3.04Å; T30-S32 VanDerWaalsContact O-N 3.09Å; T30-S32 PolarHBondContact OG1-OG 3.2Å; S32-N34 PolarHBondContact O-N 3Å; S32-Y35 WeakPolarHBondContact O-CB 3.21Å; S32-Y35 PolarHBondContact O-N 3.28Å; S32-Q107 CarbonylContact O-C 3.57Å; S32-Q107 WeakPolarHBondContact O-CA 3.47Å; S32-F108 PolarHBondContact O-N 3.04Å; S32-Y592 WeakPolarHBondContact CB-O 3.47Å |
| 33 | Y | 96.9 | Very high | 92.5 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -65.8 | 126.6 | 176.3 | 178.1 | -93.4 | 0 | 0 | 0 | 110.5 | H28 I29 T30 Y35 M51 M56 T59 I105 | H28-Y33 AromaticContact CD2-CD2 3.85Å; H28-Y33 AromaticContact CD2-CE2 3.49Å; H28-Y33 VanDerWaalsContact CD2-CE2 3.49Å; H28-Y33 WeakPolarHBondContact CD2-CE2 3.41Å; H28-Y33 AromaticContact NE2-CE2 3.4Å; H28-Y33 WeakPolarHBondContact NE2-CE2 3.29Å; H28-Y33 AromaticContact NE2-CZ 3.92Å; I29-Y33 HydrophobicContact CB-CG 4.46Å; I29-Y33 HydrophobicContact CG1-CD1 4.43Å; I29-Y33 HydrophobicContact CG1-CD2 4.46Å; I29-Y33 HydrophobicContact CG1-CE1 4.33Å; I29-Y33 HydrophobicContact CG1-CE2 4.39Å; I29-Y33 HydrophobicContact CG1-CG 4.48Å; I29-Y33 HydrophobicContact CG2-CD1 3.9Å; I29-Y33 HydrophobicContact CG2-CE1 4.39Å; I29-Y33 HydrophobicContact CG2-CG 4.18Å; T30-Y33 WeakPolarHBondContact O-CB 3.44Å; T30-Y33 PolarHBondContact O-N 3.08Å; T30-Y33 PolarHBondContact OG1-N 2.95Å; Y33-Y35 PolarHBondContact O-N 3.19Å; Y33-Y35 VanDerWaalsContact O-N 3.11Å; Y33-M51 HydrophobicContact CD2-CE 4.16Å; Y33-M51 HydrophobicContact CE1-CE 4.03Å; Y33-M51 HydrophobicContact CE2-CE 3.6Å; Y33-M56 HydrophobicContact CE1-CE 4.32Å; Y33-M56 PolarHBondContact OH-O 3.12Å; Y33-T59 PolarHBondContact OH-OG1 3.11Å; Y33-I105 WeakPolarHBondContact CD2-O 3.49Å |
| 34 | N | 95.9 | Very high | 92.6 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 16.7 | -174.5 | -155.4 | 14.7 | 0 | 0 | 0 | 115.8 | S32 A36 M51 G106 | S32-N34 PolarHBondContact O-N 3Å; N34-A36 PolarHBondContact O-N 3.01Å; N34-M51 HydrophobicContact CB-CE 3.93Å; N34-M51 VanDerWaalsContact OD1-CB 3.32Å; N34-M51 WeakPolarHBondContact OD1-CB 3.05Å; N34-M51 PolarHBondContact OD1-N 2.89Å; N34-G106 PolarHBondContact N-O 2.77Å |
| 35 | Y | 95.4 | Very high | 92.8 | Very high | 103 Ų | 103 | 44 Ų | 44 | 40% | 0.404 | 23% | 0.233 | S | C | . | . | trans | -76.8 | 86.4 | 177.2 | -169.9 | -94.9 | 0 | 0 | 0 | 110.2 | S32 Y33 N38 F108 L594 | S32-Y35 WeakPolarHBondContact O-CB 3.21Å; S32-Y35 PolarHBondContact O-N 3.28Å; Y33-Y35 PolarHBondContact O-N 3.19Å; Y33-Y35 VanDerWaalsContact O-N 3.11Å; Y35-N38 WeakPolarHBondContact CD1-OD1 3.42Å; Y35-N38 WeakPolarHBondContact CE1-OD1 3.27Å; Y35-N38 PolarHBondContact O-ND2 3.36Å; Y35-N38 PolarHBondContact O-OD1 3.07Å; Y35-F108 HydrophobicContact CD1-CD1 4.12Å; Y35-F108 HydrophobicContact CD1-CE1 4.17Å; Y35-F108 WeakPolarHBondContact O-CA 3.32Å; Y35-L594 HydrophobicContact CD1-CD2 4.26Å; Y35-L594 HydrophobicContact CD2-CD2 4.47Å; Y35-L594 HydrophobicContact CE1-CB 4.44Å; Y35-L594 WeakPolarHBondContact CE1-O 3.32Å; Y35-L594 HydrophobicContact CG-CD2 4.18Å | ||
| 36 | A | 93.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | trans | -155.6 | 151.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | N34 | N34-A36 PolarHBondContact O-N 3.01Š| ||
| 37 | P | 92.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 51.8 Ų | 51.8 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | cis | -81.2 | 159.8 | 1.9 | 35.1 | -36.2 | 0 | 0 | 0 | 113.3 | T48 | P37-T48 WeakPolarHBondContact CA-O 3.45Š| ||
| 38 | N | 92.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.011 | 23% | 0.231 | C | C | . | . | trans | -117.3 | 96 | -177.7 | -57.5 | -96.7 | 0 | 0 | 0 | 110.5 | Y35 D40 K41 M45 Q46 | Y35-N38 WeakPolarHBondContact CD1-OD1 3.42Å; Y35-N38 WeakPolarHBondContact CE1-OD1 3.27Å; Y35-N38 PolarHBondContact O-ND2 3.36Å; Y35-N38 PolarHBondContact O-OD1 3.07Å; N38-D40 VanDerWaalsContact C-N 3.28Å; N38-D40 PolarHBondContact O-N 2.78Å; N38-K41 HydrophobicContact CB-CB 4.03Å; N38-K41 HydrophobicContact CB-CD 3.91Å; N38-K41 HydrophobicContact CB-CG 3.96Å; N38-K41 WeakPolarHBondContact OD1-CE 3.39Å; N38-M45 HydrophobicContact CB-CB 3.84Å; N38-M45 PolarHBondContact N-O 3.3Å; N38-M45 CarbonylContact O-C 3.52Å; N38-Q46 WeakPolarHBondContact O-CG 3.42Å; N38-Q46 PolarHBondContact O-N 3.33Å | ||
| 39 | M | 90.4 | Very high | 92.5 | Very high | 132 Ų | 132 | 47.6 Ų | 47.6 | 65% | 0.65 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -17.4 | 179.3 | -62.6 | -54.1 | -57.6 | 0 | 0 | 113.3 | Q46 | M39-Q46 HydrophobicContact CE-CB 4.46Å; M39-Q46 HydrophobicContact SD-CB 4.23Å |
| 40 | D | 91.8 | Very high | 92.4 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -11.3 | 177.7 | 69.9 | -56.5 | 0 | 0 | 0 | 113.4 | N38 F581 N596 | N38-D40 VanDerWaalsContact C-N 3.28Å; N38-D40 PolarHBondContact O-N 2.78Å; D40-F581 WeakPolarHBondContact O-CE1 3.48Å; D40-F581 VanDerWaalsContact O-CZ 3.29Å; D40-F581 WeakPolarHBondContact O-CZ 3.39Å; D40-N596 HydrophobicContact CB-CB 4.05Å; D40-N596 VanDerWaalsContact O-CB 3.26Å; D40-N596 WeakPolarHBondContact O-CB 3.47Å; D40-N596 PolarHBondContact O-ND2 2.87Å; D40-N596 WeakPolarHBondContact OD2-CB 3.47Å; D40-N596 PolarHBondContact OD2-N 3.01Å |
| 41 | K | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -109.5 | 174.3 | -176.5 | -59.6 | -174.6 | -144.5 | -52.4 | 0 | 111.5 | N38 M45 Q46 F108 F581 E583 F585 Q593 L594 | N38-K41 HydrophobicContact CB-CB 4.03Å; N38-K41 HydrophobicContact CB-CD 3.91Å; N38-K41 HydrophobicContact CB-CG 3.96Å; N38-K41 WeakPolarHBondContact OD1-CE 3.39Å; K41-M45 HydrophobicContact CB-CB 3.8Å; K41-M45 HydrophobicContact CB-CG 3.8Å; K41-M45 HydrophobicContact CD-CG 4.35Å; K41-Q46 VanDerWaalsContact O-CG 3.27Å; K41-Q46 WeakPolarHBondContact O-CG 3.49Å; K41-Q46 PolarHBondContact O-NE2 3.44Å; K41-F108 HydrophobicContact CD-CE1 4.48Å; K41-F108 HydrophobicContact CD-CZ 4.5Å; K41-F581 WeakPolarHBondContact O-CZ 3.12Å; K41-E583 WeakPolarHBondContact CA-OE1 3.45Å; K41-E583 WeakPolarHBondContact CB-OE1 3.37Å; K41-F585 HydrophobicContact CD-CZ 4.38Å; K41-F585 HydrophobicContact CG-CZ 4.39Å; K41-Q593 WeakPolarHBondContact CE-O 3.41Å; K41-Q593 PolarHBondContact NZ-O 3.1Å; K41-L594 PolarHBondContact NZ-O 3.13Å |
| 42 | H | 91.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -61.3 | 158.6 | -178.5 | 71 | -82.4 | 0 | 0 | 0 | 113.4 | I44 M45 Q46 Y118 N558 F577 F581 E583 | H42-I44 VanDerWaalsContact C-N 3.26Å; H42-I44 PolarHBondContact O-N 3.46Å; H42-M45 PolarHBondContact O-N 2.87Å; H42-Q46 PolarHBondContact O-N 3.27Å; H42-Y118 AromaticContact CE1-CZ 3.91Å; H42-Y118 PolarHBondContact CE1-OH 2.7Å; H42-Y118 VanDerWaalsContact CE1-OH 3.23Å; H42-Y118 PolarHBondContact ND1-OH 3.32Å; H42-Y118 VanDerWaalsContact ND1-OH 3.11Å; H42-N558 PolarHBondContact NE2-ND2 2.68Å; H42-F577 HydrophobicContact CB-CD1 3.69Å; H42-F577 HydrophobicContact CB-CD2 4.01Å; H42-F577 HydrophobicContact CB-CE1 3.39Å; H42-F577 HydrophobicContact CB-CE2 3.75Å; H42-F577 HydrophobicContact CB-CG 4Å; H42-F577 HydrophobicContact CB-CZ 3.43Å; H42-F577 VanDerWaalsContact CB-CZ 3.43Å; H42-F577 AromaticContact CD2-CE1 3.48Å; H42-F577 VanDerWaalsContact CD2-CE1 3.48Å; H42-F577 WeakPolarHBondContact CD2-CE1 3.18Å; H42-F577 AromaticContact CD2-CZ 4Å; H42-F577 AromaticContact CG-CE1 3.25Å; H42-F577 AromaticContact CG-CZ 3.34Å; H42-F577 AromaticContact ND1-CE1 3.69Å; H42-F577 AromaticContact ND1-CZ 3.37Å; H42-F577 WeakPolarHBondContact ND1-CZ 3.36Å; H42-F581 HydrophobicContact CB-CD1 4.26Å; H42-E583 IonicContact CG-OE1 2.91Å; H42-E583 PolarHBondContact N-OE1 3.16Å; H42-E583 IonicContact ND1-OE1 3.3Å; H42-E583 PolarHBondContact ND1-OE1 2.91Å; H42-E583 IonicContact ND1-OE2 3.04Å | ||
| 43 | W | 88.3 | Confident | 92.1 | Very high | 58 Ų | 58 | 52.4 Ų | 52.4 | 22% | 0.22 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -46.4 | -36.1 | -166.1 | 73 | -79.6 | 0 | 0 | 0 | 116.5 | M45 Q46 Y47 L528 N558 | W43-M45 VanDerWaalsContact C-N 3.33Å; W43-M45 PolarHBondContact O-N 3.48Å; W43-Q46 WeakPolarHBondContact O-CB 3.41Å; W43-Q46 PolarHBondContact O-N 3.04Å; W43-Y47 HydrophobicContact CE3-CD2 4.04Å; W43-Y47 HydrophobicContact CE3-CE2 4.42Å; W43-Y47 VanDerWaalsContact O-CD2 3.31Å; W43-Y47 WeakPolarHBondContact O-CD2 3.28Å; W43-Y47 PolarHBondContact O-N 3.05Å; W43-Y47 VanDerWaalsContact O-N 3.15Å; W43-L528 HydrophobicContact CH2-CD2 3.68Å; W43-L528 HydrophobicContact CH2-CG 4.29Å; W43-L528 HydrophobicContact CZ3-CD2 3.79Å; W43-L528 HydrophobicContact CZ3-CG 4.17Å; W43-N558 PolarHBondContact NE1-OD1 3.32Å; W43-N558 VanDerWaalsContact NE1-OD1 3.16Å |
| 44 | I | 89.9 | Confident | 91.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 178.5 | -56 | -174.3 | 0 | 0 | 0 | 110.1 | H42 Q46 Y47 T48 M116 L528 N558 | H42-I44 VanDerWaalsContact C-N 3.26Å; H42-I44 PolarHBondContact O-N 3.46Å; I44-Q46 PolarHBondContact O-N 3.16Å; I44-Y47 CarbonylContact O-C 3.42Å; I44-Y47 PolarHBondContact O-N 3.34Å; I44-Y47 VanDerWaalsContact O-N 3.17Å; I44-T48 WeakPolarHBondContact O-CB 3.26Å; I44-T48 PolarHBondContact O-N 3.14Å; I44-T48 PolarHBondContact O-OG1 2.99Å; I44-M116 HydrophobicContact CD1-CE 4.28Å; I44-M116 HydrophobicContact CG2-CE 4.14Å; I44-L528 HydrophobicContact CD1-CD2 4.2Å; I44-L528 HydrophobicContact CG1-CD2 4.1Å; I44-L528 HydrophobicContact CG2-CD2 4.04Å; I44-N558 HydrophobicContact CD1-CB 3.95Å |
| 45 | M | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.3 | -21.1 | -179.7 | -44.9 | -65.1 | 88.8 | 0 | 0 | 112.9 | N38 K41 H42 W43 F108 L110 M116 Y118 | N38-M45 HydrophobicContact CB-CB 3.84Å; N38-M45 PolarHBondContact N-O 3.3Å; N38-M45 CarbonylContact O-C 3.52Å; K41-M45 HydrophobicContact CB-CB 3.8Å; K41-M45 HydrophobicContact CB-CG 3.8Å; K41-M45 HydrophobicContact CD-CG 4.35Å; H42-M45 PolarHBondContact O-N 2.87Å; W43-M45 VanDerWaalsContact C-N 3.33Å; W43-M45 PolarHBondContact O-N 3.48Å; M45-F108 HydrophobicContact SD-CB 3.84Å; M45-F108 HydrophobicContact SD-CD2 4.28Å; M45-F108 HydrophobicContact SD-CG 4.37Å; M45-L110 HydrophobicContact CE-CD1 3.88Å; M45-L110 HydrophobicContact CE-CD2 3.81Å; M45-L110 HydrophobicContact CE-CG 4.19Å; M45-L110 HydrophobicContact SD-CD1 4.1Å; M45-M116 HydrophobicContact CE-CE 3.76Å; M45-M116 HydrophobicContact CE-SD 3.77Å; M45-Y118 HydrophobicContact CG-CE2 4.39Å; M45-Y118 WeakPolarHBondContact CG-OH 3.35Å; M45-Y118 HydrophobicContact SD-CE2 3.8Å |
| 46 | Q | 90.1 | Very high | 91.8 | Very high | 62 Ų | 62 | 50.8 Ų | 50.8 | 29% | 0.29 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -74.7 | -34.2 | 172.9 | -53.9 | 177.7 | -4.4 | 0 | 0 | 111.3 | N38 M39 K41 H42 W43 I44 | N38-Q46 WeakPolarHBondContact O-CG 3.42Å; N38-Q46 PolarHBondContact O-N 3.33Å; M39-Q46 HydrophobicContact CE-CB 4.46Å; M39-Q46 HydrophobicContact SD-CB 4.23Å; K41-Q46 VanDerWaalsContact O-CG 3.27Å; K41-Q46 WeakPolarHBondContact O-CG 3.49Å; K41-Q46 PolarHBondContact O-NE2 3.44Å; H42-Q46 PolarHBondContact O-N 3.27Å; W43-Q46 WeakPolarHBondContact O-CB 3.41Å; W43-Q46 PolarHBondContact O-N 3.04Å; I44-Q46 PolarHBondContact O-N 3.16Å |
| 47 | Y | 86.4 | Confident | 91.8 | Very high | 180 Ų | 180 | 53.1 Ų | 53.1 | 71% | 0.706 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -88.6 | -21.7 | 176 | -80.1 | -74.6 | 0 | 0 | 0 | 113.7 | W43 I44 G49 | W43-Y47 HydrophobicContact CE3-CD2 4.04Å; W43-Y47 HydrophobicContact CE3-CE2 4.42Å; W43-Y47 VanDerWaalsContact O-CD2 3.31Å; W43-Y47 WeakPolarHBondContact O-CD2 3.28Å; W43-Y47 PolarHBondContact O-N 3.05Å; W43-Y47 VanDerWaalsContact O-N 3.15Å; I44-Y47 CarbonylContact O-C 3.42Å; I44-Y47 PolarHBondContact O-N 3.34Å; I44-Y47 VanDerWaalsContact O-N 3.17Å; Y47-G49 PolarHBondContact O-N 3.1Å |
| 48 | T | 89.7 | Confident | 91.9 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 10% | 0.104 | 26% | 0.257 | C | S | . | . | trans | -75.4 | 106.8 | 173.3 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | P37 I44 F108 L110 | P37-T48 WeakPolarHBondContact CA-O 3.45Å; I44-T48 WeakPolarHBondContact O-CB 3.26Å; I44-T48 PolarHBondContact O-N 3.14Å; I44-T48 PolarHBondContact O-OG1 2.99Å; T48-F108 VanDerWaalsContact CG2-O 3.23Å; T48-F108 WeakPolarHBondContact CG2-O 3.33Å; T48-L110 HydrophobicContact CG2-CD2 4.25Å | ||
| 49 | G | 90.3 | Very high | 92 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | trans | -79 | 178.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y47 | Y47-G49 PolarHBondContact O-N 3.1Š| ||
| 50 | P | 94 | Very high | 92.2 | Very high | 81 Ų | 81 | 45.2 Ų | 45.2 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 147.2 | 174.8 | 27.2 | -35.5 | 0 | 0 | 0 | 111.7 | ||
| 51 | M | 94.2 | Very high | 92.2 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 5% | 0.054 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 133.3 | 174.6 | -69.3 | -157.2 | -69.7 | 0 | 0 | 111.4 | Y33 N34 H55 M56 T59 V111 | Y33-M51 HydrophobicContact CD2-CE 4.16Å; Y33-M51 HydrophobicContact CE1-CE 4.03Å; Y33-M51 HydrophobicContact CE2-CE 3.6Å; N34-M51 HydrophobicContact CB-CE 3.93Å; N34-M51 VanDerWaalsContact OD1-CB 3.32Å; N34-M51 WeakPolarHBondContact OD1-CB 3.05Å; N34-M51 PolarHBondContact OD1-N 2.89Å; M51-H55 HydrophobicContact CB-CB 3.88Å; M51-H55 HydrophobicContact CG-CB 4.13Å; M51-H55 HydrophobicContact SD-CB 4.01Å; M51-M56 HydrophobicContact CB-CG 3.94Å; M51-M56 HydrophobicContact CE-CG 4.07Å; M51-T59 HydrophobicContact SD-CG2 4.3Å; M51-V111 HydrophobicContact SD-CG2 4.48Å |
| 52 | L | 93.4 | Very high | 92.2 | Very high | 100 Ų | 100 | 43.3 Ų | 43.3 | 52% | 0.524 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -67.1 | 156.2 | 166.7 | -57.4 | 178.1 | 0 | 0 | 0 | 109.8 | I54 H55 M56 | L52-I54 HydrophobicContact CB-CG2 3.83Å; L52-I54 HydrophobicContact CD1-CG2 4.43Å; L52-I54 PolarHBondContact O-N 3.42Å; L52-I54 VanDerWaalsContact O-N 3.12Å; L52-H55 WeakPolarHBondContact O-CA 3.03Å; L52-H55 WeakPolarHBondContact O-CB 3.16Å; L52-H55 PolarHBondContact O-N 3.07Å; L52-M56 PolarHBondContact O-N 2.89Å; L52-M56 VanDerWaalsContact O-N 3.14Å |
| 53 | P | 94.3 | Very high | 92.4 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 69% | 0.688 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -53.7 | -36 | 177.7 | -28.3 | 35.8 | 0 | 0 | 0 | 113.7 | H55 M56 E57 | P53-H55 VanDerWaalsContact C-N 3.34Å; P53-H55 PolarHBondContact O-N 3.32Å; P53-M56 PolarHBondContact O-N 2.9Å; P53-E57 PolarHBondContact O-N 3.43Å |
| 54 | I | 92.9 | Very high | 92.7 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 21% | 0.205 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -34.8 | 173.9 | -173.3 | 169.2 | 0 | 0 | 0 | 113.1 | L52 F58 W544 L546 F549 | L52-I54 HydrophobicContact CB-CG2 3.83Å; L52-I54 HydrophobicContact CD1-CG2 4.43Å; L52-I54 PolarHBondContact O-N 3.42Å; L52-I54 VanDerWaalsContact O-N 3.12Å; I54-F58 VanDerWaalsContact O-CB 3.32Å; I54-F58 WeakPolarHBondContact O-CB 3.47Å; I54-F58 PolarHBondContact O-N 3.17Å; I54-F58 VanDerWaalsContact O-N 3.09Å; I54-W544 HydrophobicContact CD1-CZ2 4.03Å; I54-W544 HydrophobicContact CG1-CH2 3.9Å; I54-W544 HydrophobicContact CG1-CZ2 3.53Å; I54-W544 WeakPolarHBondContact O-CH2 3.44Å; I54-L546 HydrophobicContact CD1-CB 4.11Å; I54-L546 VanDerWaalsContact CD1-O 3.28Å; I54-L546 WeakPolarHBondContact CD1-O 3.28Å; I54-L546 HydrophobicContact CG1-CB 4.16Å; I54-F549 HydrophobicContact CD1-CB 4.22Å; I54-F549 HydrophobicContact CD1-CD1 4.16Å; I54-F549 HydrophobicContact CG1-CD1 4.15Å |
| 55 | H | 94.1 | Very high | 92.8 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 12% | 0.12 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.2 | -39.2 | 174.1 | -60.7 | 171.7 | 0 | 0 | 0 | 111 | M51 L52 P53 F58 T59 V111 F549 | M51-H55 HydrophobicContact CB-CB 3.88Å; M51-H55 HydrophobicContact CG-CB 4.13Å; M51-H55 HydrophobicContact SD-CB 4.01Å; L52-H55 WeakPolarHBondContact O-CA 3.03Å; L52-H55 WeakPolarHBondContact O-CB 3.16Å; L52-H55 PolarHBondContact O-N 3.07Å; P53-H55 VanDerWaalsContact C-N 3.34Å; P53-H55 PolarHBondContact O-N 3.32Å; H55-F58 WeakPolarHBondContact O-CB 3.33Å; H55-F58 PolarHBondContact O-N 3.48Å; H55-T59 PolarHBondContact O-N 3.02Å; H55-T59 PolarHBondContact O-OG1 2.85Å; H55-T59 VanDerWaalsContact O-OG1 3.05Å; H55-V111 HydrophobicContact CB-CG2 3.98Å; H55-F549 AromaticContact CD2-CD2 3.31Å; H55-F549 WeakPolarHBondContact CD2-CD2 3.25Å; H55-F549 AromaticContact CD2-CE2 3.71Å; H55-F549 AromaticContact CD2-CG 3.92Å; H55-F549 AromaticContact NE2-CD2 3.44Å; H55-F549 WeakPolarHBondContact NE2-CD2 3.36Å |
| 56 | M | 94.8 | Very high | 92.9 | Very high | 67 Ų | 67 | 46.1 Ų | 46.1 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 178.7 | -67.3 | 174.2 | 64.5 | 0 | 0 | 112.2 | Y33 M51 L52 P53 T59 N60 | Y33-M56 HydrophobicContact CE1-CE 4.32Å; Y33-M56 PolarHBondContact OH-O 3.12Å; M51-M56 HydrophobicContact CB-CG 3.94Å; M51-M56 HydrophobicContact CE-CG 4.07Å; L52-M56 PolarHBondContact O-N 2.89Å; L52-M56 VanDerWaalsContact O-N 3.14Å; P53-M56 PolarHBondContact O-N 2.9Å; M56-T59 VanDerWaalsContact CA-OG1 3.3Å; M56-T59 WeakPolarHBondContact CA-OG1 3.29Å; M56-T59 PolarHBondContact O-N 2.9Å; M56-T59 PolarHBondContact O-OG1 2.77Å; M56-N60 VanDerWaalsContact O-CG 3.25Å; M56-N60 PolarHBondContact O-N 2.87Å; M56-N60 PolarHBondContact O-ND2 2.75Å |
| 57 | E | 93.5 | Very high | 93.2 | Very high | 71 Ų | 71 | 44.9 Ų | 44.9 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -72.5 | -33.3 | 176.4 | -171.5 | 53.3 | -157.1 | 0 | 0 | 111.9 | P53 T59 N60 I61 L546 | P53-E57 PolarHBondContact O-N 3.43Å; E57-T59 VanDerWaalsContact C-N 3.35Å; E57-T59 PolarHBondContact O-N 2.85Å; E57-N60 PolarHBondContact O-N 2.92Å; E57-N60 PolarHBondContact OE2-ND2 3.03Å; E57-I61 HydrophobicContact CG-CD1 4.23Å; E57-I61 WeakPolarHBondContact O-CG1 3.27Å; E57-I61 PolarHBondContact O-N 3.45Å; E57-L546 HydrophobicContact CB-CD1 4.06Å; E57-L546 HydrophobicContact CG-CD1 3.95Å |
| 58 | F | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 169.8 | -176.4 | -96.5 | 0 | 0 | 0 | 112.2 | I54 H55 I61 L62 V111 K112 H533 H537 W538 W544 F549 | I54-F58 VanDerWaalsContact O-CB 3.32Å; I54-F58 WeakPolarHBondContact O-CB 3.47Å; I54-F58 PolarHBondContact O-N 3.17Å; I54-F58 VanDerWaalsContact O-N 3.09Å; H55-F58 WeakPolarHBondContact O-CB 3.33Å; H55-F58 PolarHBondContact O-N 3.48Å; F58-I61 PolarHBondContact O-N 3.41Å; F58-L62 HydrophobicContact CE1-CB 4.48Å; F58-L62 HydrophobicContact CE1-CD2 4.13Å; F58-L62 WeakPolarHBondContact O-CB 3.5Å; F58-L62 PolarHBondContact O-N 2.98Å; F58-V111 HydrophobicContact CD1-CG1 3.65Å; F58-V111 HydrophobicContact CE1-CG1 4.12Å; F58-K112 HydrophobicContact CE1-CD 4.13Å; F58-H533 HydrophobicContact CE2-CB 4.35Å; F58-H533 AromaticContact CZ-CE1 3.76Å; F58-H533 AromaticContact CZ-CG 3.8Å; F58-H533 AromaticContact CZ-ND1 3.58Å; F58-H537 AromaticContact CE2-CD2 3.81Å; F58-H537 AromaticContact CZ-CD2 3.94Å; F58-W538 AromaticContact CD2-CH2 3.66Å; F58-W538 HydrophobicContact CD2-CH2 3.66Å; F58-W538 HydrophobicContact CD2-CZ2 4.45Å; F58-W538 HydrophobicContact CD2-CZ3 4.17Å; F58-W538 AromaticContact CE2-CH2 3.48Å; F58-W538 HydrophobicContact CE2-CH2 3.48Å; F58-W538 VanDerWaalsContact CE2-CH2 3.48Å; F58-W538 AromaticContact CE2-CZ2 3.85Å; F58-W538 HydrophobicContact CE2-CZ2 3.85Å; F58-W538 HydrophobicContact CE2-CZ3 4.11Å; F58-W538 HydrophobicContact CG-CH2 4.44Å; F58-W538 HydrophobicContact CZ-CH2 4.15Å; F58-W538 HydrophobicContact CZ-CZ2 4.13Å; F58-W544 HydrophobicContact CB-CH2 3.57Å; F58-W544 HydrophobicContact CB-CZ2 4.15Å; F58-W544 HydrophobicContact CB-CZ3 3.87Å; F58-W544 HydrophobicContact CD2-CD2 4.1Å; F58-W544 HydrophobicContact CD2-CE3 4.04Å; F58-W544 HydrophobicContact CD2-CH2 4.15Å; F58-W544 HydrophobicContact CD2-CZ2 4.19Å; F58-W544 HydrophobicContact CD2-CZ3 4.07Å; F58-W544 HydrophobicContact CG-CH2 4.37Å; F58-W544 HydrophobicContact CG-CZ3 4.48Å; F58-F549 HydrophobicContact CB-CE1 3.98Å; F58-F549 HydrophobicContact CB-CZ 3.86Å; F58-F549 HydrophobicContact CD1-CE1 4.38Å; F58-F549 AromaticContact CD1-CZ 3.64Å; F58-F549 HydrophobicContact CD1-CZ 3.64Å; F58-F549 AromaticContact CD2-CE1 3.63Å; F58-F549 HydrophobicContact CD2-CE1 3.63Å; F58-F549 AromaticContact CD2-CZ 3.7Å; F58-F549 HydrophobicContact CD2-CZ 3.7Å; F58-F549 HydrophobicContact CE1-CZ 4.01Å; F58-F549 HydrophobicContact CE2-CE1 4.17Å; F58-F549 HydrophobicContact CE2-CZ 4.1Å; F58-F549 AromaticContact CG-CE1 3.74Å; F58-F549 HydrophobicContact CG-CE1 3.74Å; F58-F549 AromaticContact CG-CZ 3.44Å; F58-F549 HydrophobicContact CG-CZ 3.44Å; F58-F549 VanDerWaalsContact CG-CZ 3.44Å; F58-F549 HydrophobicContact CZ-CZ 4.23Å |
| 59 | T | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 176.6 | 40.5 | 0 | 0 | 0 | 0 | 112.8 | Y33 M51 H55 M56 E57 L62 Q63 I105 V111 | Y33-T59 PolarHBondContact OH-OG1 3.11Å; M51-T59 HydrophobicContact SD-CG2 4.3Å; H55-T59 PolarHBondContact O-N 3.02Å; H55-T59 PolarHBondContact O-OG1 2.85Å; H55-T59 VanDerWaalsContact O-OG1 3.05Å; M56-T59 VanDerWaalsContact CA-OG1 3.3Å; M56-T59 WeakPolarHBondContact CA-OG1 3.29Å; M56-T59 PolarHBondContact O-N 2.9Å; M56-T59 PolarHBondContact O-OG1 2.77Å; E57-T59 VanDerWaalsContact C-N 3.35Å; E57-T59 PolarHBondContact O-N 2.85Å; T59-L62 PolarHBondContact O-N 3.42Å; T59-Q63 PolarHBondContact O-N 2.82Å; T59-I105 HydrophobicContact CG2-CG2 3.63Å; T59-V111 HydrophobicContact CG2-CG1 4.13Å; T59-V111 WeakPolarHBondContact CG2-O 3.48Å |
| 60 | N | 93.8 | Very high | 94 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 24% | 0.235 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57 | -52.9 | 172.2 | -69.7 | -25.5 | 0 | 0 | 0 | 111.8 | H28 M56 E57 Q63 R64 | H28-N60 PolarHBondContact CE1-OD1 3.31Å; M56-N60 VanDerWaalsContact O-CG 3.25Å; M56-N60 PolarHBondContact O-N 2.87Å; M56-N60 PolarHBondContact O-ND2 2.75Å; E57-N60 PolarHBondContact O-N 2.92Å; E57-N60 PolarHBondContact OE2-ND2 3.03Å; N60-Q63 PolarHBondContact O-N 2.56Å; N60-R64 PolarHBondContact O-N 3.32Å |
| 61 | I | 92.8 | Very high | 94 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.7 | -40.3 | -179.3 | -60.7 | 173.7 | 0 | 0 | 0 | 110.5 | E57 F58 Q63 R64 K65 W538 P542 W544 | E57-I61 HydrophobicContact CG-CD1 4.23Å; E57-I61 WeakPolarHBondContact O-CG1 3.27Å; E57-I61 PolarHBondContact O-N 3.45Å; F58-I61 PolarHBondContact O-N 3.41Å; I61-Q63 PolarHBondContact O-N 3.32Å; I61-R64 WeakPolarHBondContact O-CB 3.39Å; I61-R64 PolarHBondContact O-N 3.43Å; I61-K65 HydrophobicContact CG2-CG 4.06Å; I61-K65 WeakPolarHBondContact O-CB 3.39Å; I61-K65 VanDerWaalsContact O-CG 3.27Å; I61-K65 WeakPolarHBondContact O-CG 3.39Å; I61-K65 PolarHBondContact O-N 3.41Å; I61-W538 HydrophobicContact CB-CH2 3.91Å; I61-W538 HydrophobicContact CB-CZ3 3.91Å; I61-W538 HydrophobicContact CG2-CE3 3.94Å; I61-W538 HydrophobicContact CG2-CH2 3.62Å; I61-W538 HydrophobicContact CG2-CZ2 4.42Å; I61-W538 HydrophobicContact CG2-CZ3 3.33Å; I61-P542 HydrophobicContact CG2-CG 3.81Å; I61-W544 HydrophobicContact CD1-CE3 4.11Å; I61-W544 HydrophobicContact CD1-CZ3 4.05Å |
| 62 | L | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 176.7 | 175.7 | 66.5 | 0 | 0 | 0 | 112.3 | E12 F58 T59 K65 R66 I105 K112 W538 | E12-L62 HydrophobicContact CB-CD1 4.37Å; E12-L62 HydrophobicContact CG-CD1 3.7Å; E12-L62 WeakPolarHBondContact OE1-CD1 3.49Å; F58-L62 HydrophobicContact CE1-CB 4.48Å; F58-L62 HydrophobicContact CE1-CD2 4.13Å; F58-L62 WeakPolarHBondContact O-CB 3.5Å; F58-L62 PolarHBondContact O-N 2.98Å; T59-L62 PolarHBondContact O-N 3.42Å; L62-K65 PolarHBondContact O-N 2.92Å; L62-R66 HydrophobicContact CD1-CG 4.12Å; L62-R66 HydrophobicContact CG-CG 4.45Å; L62-R66 WeakPolarHBondContact O-CB 3.26Å; L62-R66 VanDerWaalsContact O-CG 3.23Å; L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 2.76Å; L62-I105 HydrophobicContact CD2-CG1 4.43Å; L62-I105 HydrophobicContact CD2-CG2 4.29Å; L62-K112 HydrophobicContact CD1-CD 4.21Å; L62-K112 HydrophobicContact CD2-CB 3.65Å; L62-K112 HydrophobicContact CD2-CD 3.46Å; L62-K112 VanDerWaalsContact CD2-CD 3.46Å; L62-K112 HydrophobicContact CD2-CG 4.22Å; L62-W538 HydrophobicContact CB-CH2 4.37Å; L62-W538 HydrophobicContact CB-CZ2 4.08Å; L62-W538 HydrophobicContact CD1-CZ2 4.13Å |
| 63 | Q | 94.7 | Very high | 94.2 | Very high | 27 Ų | 27 | 32.1 Ų | 32.1 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 177.5 | 174.9 | 60.4 | 2.5 | 0 | 0 | 111.3 | A25 H28 T59 N60 I61 K65 R66 L67 I105 | A25-Q63 HydrophobicContact CB-CG 4.13Å; A25-Q63 WeakPolarHBondContact O-CG 3.46Å; H28-Q63 HydrophobicContact CB-CB 4.25Å; H28-Q63 HydrophobicContact CB-CG 3.97Å; H28-Q63 WeakPolarHBondContact ND1-CB 3.44Å; T59-Q63 PolarHBondContact O-N 2.82Å; N60-Q63 PolarHBondContact O-N 2.56Å; I61-Q63 PolarHBondContact O-N 3.32Å; Q63-K65 PolarHBondContact O-N 3.02Å; Q63-R66 PolarHBondContact O-N 3.44Å; Q63-L67 WeakPolarHBondContact O-CG 3.23Å; Q63-L67 PolarHBondContact O-N 2.94Å; Q63-L67 VanDerWaalsContact O-N 3.15Å; Q63-I105 HydrophobicContact CB-CD1 4.25Å |
| 64 | R | 93.6 | Very high | 94.3 | Very high | 55 Ų | 55 | 31.9 Ų | 31.9 | 21% | 0.208 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.1 | -55 | 172.6 | 177.5 | -175.2 | -51.4 | 131.4 | -0.2 | 110.7 | Y22 P23 A25 N60 I61 R66 L67 Q68 | Y22-R64 WeakPolarHBondContact O-CG 3.3Å; P23-R64 VanDerWaalsContact O-CZ 3.27Å; P23-R64 PolarHBondContact O-NE 3.07Å; P23-R64 PolarHBondContact O-NH2 3.43Å; A25-R64 HydrophobicContact CB-CB 4.11Å; N60-R64 PolarHBondContact O-N 3.32Å; I61-R64 WeakPolarHBondContact O-CB 3.39Å; I61-R64 PolarHBondContact O-N 3.43Å; R64-R66 PolarHBondContact O-N 2.94Å; R64-L67 PolarHBondContact O-N 3.37Å; R64-Q68 HydrophobicContact CG-CG 4.38Å; R64-Q68 VanDerWaalsContact O-CG 3.29Å; R64-Q68 WeakPolarHBondContact O-CG 3.44Å; R64-Q68 PolarHBondContact O-N 3Å |
| 65 | K | 93 | Very high | 94.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.9 | -47.8 | 178.6 | -77.6 | -61.7 | -154.8 | 176.6 | 0 | 112.6 | E12 D13 I61 L62 Q63 L67 Q68 T69 W538 T540 A541 P542 | E12-K65 HydrophobicContact CB-CB 3.94Å; E12-K65 WeakPolarHBondContact O-CB 3.25Å; E12-K65 WeakPolarHBondContact O-CD 3.31Å; D13-K65 IonicContact OD1-NZ 3.98Å; I61-K65 HydrophobicContact CG2-CG 4.06Å; I61-K65 WeakPolarHBondContact O-CB 3.39Å; I61-K65 VanDerWaalsContact O-CG 3.27Å; I61-K65 WeakPolarHBondContact O-CG 3.39Å; I61-K65 PolarHBondContact O-N 3.41Å; L62-K65 PolarHBondContact O-N 2.92Å; Q63-K65 PolarHBondContact O-N 3.02Å; K65-L67 VanDerWaalsContact C-N 3.35Å; K65-L67 PolarHBondContact O-N 3.11Å; K65-Q68 PolarHBondContact O-N 3.08Å; K65-T69 PolarHBondContact O-N 3.35Å; K65-T69 PolarHBondContact O-OG1 2.8Å; K65-W538 HydrophobicContact CG-CD2 4.15Å; K65-W538 HydrophobicContact CG-CZ2 4.19Å; K65-T540 VanDerWaalsContact NZ-C 3.31Å; K65-T540 PolarHBondContact NZ-O 3.42Å; K65-T540 PolarHBondContact NZ-OG1 2.7Å; K65-A541 PolarHBondContact NZ-O 3.11Å; K65-P542 WeakPolarHBondContact CE-O 3.5Å; K65-P542 PolarHBondContact NZ-O 3.31Å |
| 66 | R | 94.2 | Very high | 94.5 | Very high | 36 Ų | 36 | 32.5 Ų | 32.5 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 179.4 | -75.1 | 171.6 | 61.1 | 77 | -4.4 | 112.7 | P8 E12 L62 Q63 R64 L70 Y103 | P8-R66 HydrophobicContact CB-CB 4.15Å; P8-R66 HydrophobicContact CB-CG 4.32Å; P8-R66 WeakPolarHBondContact CB-O 3.45Å; P8-R66 PolarHBondContact O-NH1 3.1Å; E12-R66 HydrophobicContact CB-CG 4.36Å; E12-R66 HydrophobicContact CG-CG 3.87Å; L62-R66 HydrophobicContact CD1-CG 4.12Å; L62-R66 HydrophobicContact CG-CG 4.45Å; L62-R66 WeakPolarHBondContact O-CB 3.26Å; L62-R66 VanDerWaalsContact O-CG 3.23Å; L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 2.76Å; Q63-R66 PolarHBondContact O-N 3.44Å; R64-R66 PolarHBondContact O-N 2.94Å; R66-L70 WeakPolarHBondContact O-CB 3.34Å; R66-L70 PolarHBondContact O-N 3.21Å; R66-Y103 VanDerWaalsContact NH2-CD1 3.34Å; R66-Y103 VanDerWaalsContact NH2-CG 3.3Å |
| 67 | L | 94.6 | Very high | 94.6 | Very high | 36 Ų | 36 | 31.7 Ų | 31.7 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67 | -43.1 | 174.3 | -64.2 | 175.3 | 0 | 0 | 0 | 111.8 | Y22 A25 Q63 R64 K65 T69 L70 M71 | Y22-L67 HydrophobicContact CD1-CB 4.45Å; Y22-L67 HydrophobicContact CD1-CD1 4.04Å; Y22-L67 HydrophobicContact CD2-CB 3.48Å; Y22-L67 VanDerWaalsContact CD2-CB 3.48Å; Y22-L67 HydrophobicContact CD2-CD1 4.45Å; Y22-L67 HydrophobicContact CE2-CB 3.77Å; Y22-L67 HydrophobicContact CG-CB 3.86Å; Y22-L67 HydrophobicContact CG-CD1 3.97Å; A25-L67 HydrophobicContact CB-CD1 3.92Å; Q63-L67 WeakPolarHBondContact O-CG 3.23Å; Q63-L67 PolarHBondContact O-N 2.94Å; Q63-L67 VanDerWaalsContact O-N 3.15Å; R64-L67 PolarHBondContact O-N 3.37Å; K65-L67 VanDerWaalsContact C-N 3.35Å; K65-L67 PolarHBondContact O-N 3.11Å; L67-T69 VanDerWaalsContact C-N 3.34Å; L67-T69 PolarHBondContact O-N 2.69Å; L67-L70 WeakPolarHBondContact O-CB 3.49Å; L67-L70 PolarHBondContact O-N 2.83Å; L67-L70 VanDerWaalsContact O-N 3.17Å; L67-M71 PolarHBondContact O-N 3.03Å |
| 68 | Q | 94.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -37.7 | 176.4 | -65 | 174.6 | -22.2 | 0 | 0 | 112.7 | S14 F18 S19 L21 Y22 R64 K65 | S14-Q68 VanDerWaalsContact CB-CB 3.5Å; F18-Q68 HydrophobicContact CB-CB 4.47Å; F18-Q68 WeakPolarHBondContact CB-O 3.25Å; F18-Q68 WeakPolarHBondContact O-CG 3.4Å; S19-Q68 VanDerWaalsContact C-NE2 3.34Å; S19-Q68 PolarHBondContact O-NE2 2.78Å; L21-Q68 HydrophobicContact CB-CG 4.39Å; L21-Q68 PolarHBondContact O-NE2 3.44Å; Y22-Q68 HydrophobicContact CD2-CG 4.25Å; R64-Q68 HydrophobicContact CG-CG 4.38Å; R64-Q68 VanDerWaalsContact O-CG 3.29Å; R64-Q68 WeakPolarHBondContact O-CG 3.44Å; R64-Q68 PolarHBondContact O-N 3Å; K65-Q68 PolarHBondContact O-N 3.08Å |
| 69 | T | 94.5 | Very high | 94.9 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.8 | -30.4 | 174.5 | -46.5 | 0 | 0 | 0 | 0 | 112 | A7 E12 D13 K65 L67 M71 S72 | A7-T69 HydrophobicContact CB-CG2 3.73Å; E12-T69 PolarHBondContact O-OG1 2.92Å; D13-T69 WeakPolarHBondContact O-CG2 3.4Å; D13-T69 PolarHBondContact O-OG1 3.38Å; K65-T69 PolarHBondContact O-N 3.35Å; K65-T69 PolarHBondContact O-OG1 2.8Å; L67-T69 VanDerWaalsContact C-N 3.34Å; L67-T69 PolarHBondContact O-N 2.69Å; T69-M71 VanDerWaalsContact C-N 3.3Å; T69-M71 PolarHBondContact O-N 3.42Å; T69-S72 WeakPolarHBondContact O-CB 3.41Å; T69-S72 PolarHBondContact O-N 3.32Å |
| 70 | L | 95 | Very high | 94.9 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 31% | 0.314 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.1 | -28.6 | 177.5 | -171.2 | 66 | 0 | 0 | 0 | 112.5 | P8 R66 L67 S72 V73 D74 | P8-L70 HydrophobicContact CG-CD1 4.47Å; R66-L70 WeakPolarHBondContact O-CB 3.34Å; R66-L70 PolarHBondContact O-N 3.21Å; L67-L70 WeakPolarHBondContact O-CB 3.49Å; L67-L70 PolarHBondContact O-N 2.83Å; L67-L70 VanDerWaalsContact O-N 3.17Å; L70-S72 PolarHBondContact O-N 2.83Å; L70-V73 HydrophobicContact CD1-CB 4.16Å; L70-V73 HydrophobicContact CD1-CG2 4.16Å; L70-V73 WeakPolarHBondContact O-CA 3.03Å; L70-V73 VanDerWaalsContact O-CB 3.26Å; L70-V73 WeakPolarHBondContact O-CB 3.03Å; L70-V73 PolarHBondContact O-N 3.32Å; L70-D74 PolarHBondContact O-N 3.37Å |
| 71 | M | 95.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 17% | 0.172 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.8 | -33.1 | 173 | -67.3 | -52.7 | -53.1 | 0 | 0 | 113.2 | F18 L21 Y22 L67 T69 V73 D74 D75 | F18-M71 HydrophobicContact CB-CB 4.23Å; F18-M71 HydrophobicContact CD1-CB 3.61Å; F18-M71 HydrophobicContact CD1-CG 4.11Å; F18-M71 HydrophobicContact CD2-CB 3.6Å; F18-M71 HydrophobicContact CE1-CB 3.76Å; F18-M71 HydrophobicContact CE2-CB 3.75Å; F18-M71 HydrophobicContact CG-CB 3.53Å; F18-M71 HydrophobicContact CG-CG 4.21Å; F18-M71 HydrophobicContact CZ-CB 3.83Å; L21-M71 HydrophobicContact CD1-CG 3.88Å; Y22-M71 HydrophobicContact CE2-CG 3.98Å; Y22-M71 HydrophobicContact CE2-SD 4.13Å; Y22-M71 PolarHBondContact OH-SD 2.93Å; L67-M71 PolarHBondContact O-N 3.03Å; T69-M71 VanDerWaalsContact C-N 3.3Å; T69-M71 PolarHBondContact O-N 3.42Å; M71-V73 PolarHBondContact O-N 2.84Å; M71-D74 HydrophobicContact CE-CB 4.22Å; M71-D74 WeakPolarHBondContact O-CB 3.34Å; M71-D74 PolarHBondContact O-N 2.91Å; M71-D74 VanDerWaalsContact O-N 3.17Å; M71-D75 WeakPolarHBondContact O-CB 3.33Å; M71-D75 PolarHBondContact O-N 3.41Å |
| 72 | S | 94.5 | Very high | 95.3 | Very high | 41 Ų | 41 | 48 Ų | 48 | 29% | 0.287 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.1 | -17.5 | 173.6 | -55.6 | 0 | 0 | 0 | 0 | 113.7 | F18 T69 L70 S76 | F18-S72 WeakPolarHBondContact CE2-OG 3.49Å; T69-S72 WeakPolarHBondContact O-CB 3.41Å; T69-S72 PolarHBondContact O-N 3.32Å; L70-S72 PolarHBondContact O-N 2.83Å; S72-S76 WeakPolarHBondContact O-CB 3.31Å |
| 73 | V | 95.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -84.4 | -40.8 | 170.5 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | H5 A7 L70 M71 S76 V77 Y97 | H5-V73 HydrophobicContact CB-CG1 4.33Å; H5-V73 HydrophobicContact CB-CG2 3.93Å; A7-V73 HydrophobicContact CB-CG2 3.62Å; L70-V73 HydrophobicContact CD1-CB 4.16Å; L70-V73 HydrophobicContact CD1-CG2 4.16Å; L70-V73 WeakPolarHBondContact O-CA 3.03Å; L70-V73 VanDerWaalsContact O-CB 3.26Å; L70-V73 WeakPolarHBondContact O-CB 3.03Å; L70-V73 PolarHBondContact O-N 3.32Å; M71-V73 PolarHBondContact O-N 2.84Å; V73-S76 CarbonylContact O-C 3.55Å; V73-S76 WeakPolarHBondContact O-CA 3.39Å; V73-S76 WeakPolarHBondContact O-CB 3.21Å; V73-S76 PolarHBondContact O-N 3.47Å; V73-V77 WeakPolarHBondContact O-CG2 3.23Å; V73-V77 PolarHBondContact O-N 2.96Å; V73-Y97 HydrophobicContact CG1-CE2 4.41Å |
| 74 | D | 96.3 | Very high | 95.6 | Very high | 100 Ų | 100 | 51.3 Ų | 51.3 | 54% | 0.535 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.1 | -52.7 | 177.2 | -151.1 | 53 | 0 | 0 | 0 | 111.3 | L70 M71 S76 V77 E78 | L70-D74 PolarHBondContact O-N 3.37Å; M71-D74 HydrophobicContact CE-CB 4.22Å; M71-D74 WeakPolarHBondContact O-CB 3.34Å; M71-D74 PolarHBondContact O-N 2.91Å; M71-D74 VanDerWaalsContact O-N 3.17Å; D74-S76 PolarHBondContact O-N 2.82Å; D74-S76 VanDerWaalsContact O-N 3.12Å; D74-V77 PolarHBondContact O-N 3.24Å; D74-E78 PolarHBondContact O-N 2.97Å |
| 75 | D | 95.9 | Very high | 95.8 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -48.8 | -39.2 | 169.4 | -122.2 | 77.8 | 0 | 0 | 0 | 112.1 | F18 M71 R79 | F18-D75 WeakPolarHBondContact CZ-OD1 3.43Å; M71-D75 WeakPolarHBondContact O-CB 3.33Å; M71-D75 PolarHBondContact O-N 3.41Å; D75-R79 WeakPolarHBondContact O-CB 3.28Å; D75-R79 WeakPolarHBondContact O-CD 3.49Å; D75-R79 WeakPolarHBondContact O-CG 3.18Å; D75-R79 PolarHBondContact O-N 3.32Å; D75-R79 VanDerWaalsContact O-N 3.08Å; D75-R79 IonicContact OD2-CZ 3.85Å; D75-R79 IonicContact OD2-NE 3.88Å; D75-R79 PolarHBondContact OD2-NE 2.73Å; D75-R79 VanDerWaalsContact OD2-NE 3.09Å; D75-R79 IonicContact OD2-NH2 3.92Å; D75-R79 PolarHBondContact OD2-NH2 2.93Å |
| 76 | S | 95.7 | Very high | 96 | Very high | 38 Ų | 38 | 60.1 Ų | 60.1 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -80.2 | -22.1 | -178 | -179.4 | 0 | 0 | 0 | 0 | 113.3 | H5 S72 V73 D74 L80 | H5-S76 VanDerWaalsContact NE2-CB 3.29Å; H5-S76 WeakPolarHBondContact NE2-CB 3.42Å; H5-S76 PolarHBondContact NE2-OG 3.08Å; S72-S76 WeakPolarHBondContact O-CB 3.31Å; V73-S76 CarbonylContact O-C 3.55Å; V73-S76 WeakPolarHBondContact O-CA 3.39Å; V73-S76 WeakPolarHBondContact O-CB 3.21Å; V73-S76 PolarHBondContact O-N 3.47Å; D74-S76 PolarHBondContact O-N 2.82Å; D74-S76 VanDerWaalsContact O-N 3.12Å; S76-L80 WeakPolarHBondContact O-CB 3.48Å; S76-L80 PolarHBondContact O-N 3.24Å |
| 77 | V | 96.4 | Very high | 96.2 | Very high | 50 Ų | 50 | 62.3 Ų | 62.3 | 30% | 0.303 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -82.9 | -41.3 | 172.9 | 171.1 | 0 | 0 | 0 | 0 | 109.7 | V73 D74 L80 Y81 Y97 | V73-V77 WeakPolarHBondContact O-CG2 3.23Å; V73-V77 PolarHBondContact O-N 2.96Å; D74-V77 PolarHBondContact O-N 3.24Å; V77-L80 WeakPolarHBondContact O-CB 3.48Å; V77-L80 PolarHBondContact O-N 2.94Å; V77-Y81 WeakPolarHBondContact O-CB 3.28Å; V77-Y81 PolarHBondContact O-N 3.28Å; V77-Y97 HydrophobicContact CG2-CD2 4.22Å; V77-Y97 HydrophobicContact CG2-CE2 4.15Å |
| 78 | E | 97.1 | Very high | 96.3 | Very high | 113 Ų | 113 | 63.5 Ų | 63.5 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59 | -50.4 | 173.1 | -174.3 | -172.4 | -133.7 | 0 | 0 | 111.2 | D74 L80 Y81 N82 | D74-E78 PolarHBondContact O-N 2.97Å; E78-L80 VanDerWaalsContact C-N 3.28Å; E78-L80 PolarHBondContact O-N 3.34Å; E78-Y81 PolarHBondContact O-N 3.27Å; E78-Y81 VanDerWaalsContact O-N 3.12Å; E78-N82 WeakPolarHBondContact O-CB 3.46Å; E78-N82 PolarHBondContact O-N 3.31Å |
| 79 | R | 96.7 | Very high | 96.4 | Very high | 164 Ų | 164 | 67.8 Ų | 67.8 | 62% | 0.619 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.8 | -36.4 | 177.3 | -70.3 | 164 | -166.2 | -83.1 | -2.2 | 113 | D75 M83 | D75-R79 WeakPolarHBondContact O-CB 3.28Å; D75-R79 WeakPolarHBondContact O-CD 3.49Å; D75-R79 WeakPolarHBondContact O-CG 3.18Å; D75-R79 PolarHBondContact O-N 3.32Å; D75-R79 VanDerWaalsContact O-N 3.08Å; D75-R79 IonicContact OD2-CZ 3.85Å; D75-R79 IonicContact OD2-NE 3.88Å; D75-R79 PolarHBondContact OD2-NE 2.73Å; D75-R79 VanDerWaalsContact OD2-NE 3.09Å; D75-R79 IonicContact OD2-NH2 3.92Å; D75-R79 PolarHBondContact OD2-NH2 2.93Å; R79-M83 WeakPolarHBondContact O-CB 3.49Å; R79-M83 PolarHBondContact O-N 2.94Å; R79-M83 VanDerWaalsContact O-N 3.13Å |
| 80 | L | 96.1 | Very high | 96.4 | Very high | 37 Ų | 37 | 67.7 Ų | 67.7 | 19% | 0.194 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 174.8 | 172.3 | 64.7 | 0 | 0 | 0 | 111.3 | M1 I3 S76 V77 E78 M83 L84 | M1-L80 HydrophobicContact CE-CD1 3.53Å; I3-L80 HydrophobicContact CD1-CD1 4.46Å; I3-L80 HydrophobicContact CD1-CD2 4.09Å; S76-L80 WeakPolarHBondContact O-CB 3.48Å; S76-L80 PolarHBondContact O-N 3.24Å; V77-L80 WeakPolarHBondContact O-CB 3.48Å; V77-L80 PolarHBondContact O-N 2.94Å; E78-L80 VanDerWaalsContact C-N 3.28Å; E78-L80 PolarHBondContact O-N 3.34Å; L80-M83 HydrophobicContact CD1-CE 3.89Å; L80-L84 HydrophobicContact CD1-CD1 4.35Å; L80-L84 HydrophobicContact CG-CD1 4.41Å; L80-L84 WeakPolarHBondContact O-CG 3.45Å; L80-L84 PolarHBondContact O-N 3.4Å |
| 81 | Y | 96.7 | Very high | 96.4 | Very high | 92 Ų | 92 | 70.9 Ų | 70.9 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 178.5 | 178.6 | -91.1 | 0 | 0 | 0 | 111.4 | V77 E78 M83 L84 V85 L90 I95 | V77-Y81 WeakPolarHBondContact O-CB 3.28Å; V77-Y81 PolarHBondContact O-N 3.28Å; E78-Y81 PolarHBondContact O-N 3.27Å; E78-Y81 VanDerWaalsContact O-N 3.12Å; Y81-M83 VanDerWaalsContact C-N 3.35Å; Y81-M83 PolarHBondContact O-N 2.92Å; Y81-L84 WeakPolarHBondContact O-CA 3.33Å; Y81-L84 WeakPolarHBondContact O-CB 3.38Å; Y81-L84 PolarHBondContact O-N 3.11Å; Y81-V85 HydrophobicContact CD1-CG2 4.14Å; Y81-V85 HydrophobicContact CE1-CG2 3.76Å; Y81-V85 PolarHBondContact O-N 3.27Å; Y81-L90 HydrophobicContact CD2-CD1 3.85Å; Y81-L90 HydrophobicContact CD2-CD2 4.31Å; Y81-L90 HydrophobicContact CE1-CD2 4.4Å; Y81-L90 HydrophobicContact CE2-CD1 3.74Å; Y81-L90 HydrophobicContact CE2-CD2 3.54Å; Y81-L90 HydrophobicContact CE2-CG 4.29Å; Y81-I95 HydrophobicContact CD2-CD1 4.33Å |
| 82 | N | 97.9 | Very high | 96.3 | Very high | 62 Ų | 62 | 74.8 Ų | 74.8 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 179.6 | -69.5 | -12.8 | 0 | 0 | 0 | 111.7 | E78 L84 V85 E86 | E78-N82 WeakPolarHBondContact O-CB 3.46Å; E78-N82 PolarHBondContact O-N 3.31Å; N82-L84 VanDerWaalsContact C-N 3.3Å; N82-L84 PolarHBondContact O-N 3.06Å; N82-V85 WeakPolarHBondContact O-CB 3.5Å; N82-V85 PolarHBondContact O-N 3.42Å; N82-V85 VanDerWaalsContact O-N 3.08Å; N82-E86 WeakPolarHBondContact O-CB 3.39Å; N82-E86 VanDerWaalsContact O-CG 3.32Å; N82-E86 WeakPolarHBondContact O-CG 3.42Å; N82-E86 PolarHBondContact O-N 3.11Å |
| 83 | M | 97.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 74.6 Ų | 74.6 | 39% | 0.389 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.7 | -35.8 | 173.3 | 179.3 | -85.1 | -65 | 0 | 0 | 112.7 | R79 L80 Y81 T87 | R79-M83 WeakPolarHBondContact O-CB 3.49Å; R79-M83 PolarHBondContact O-N 2.94Å; R79-M83 VanDerWaalsContact O-N 3.13Å; L80-M83 HydrophobicContact CD1-CE 3.89Å; Y81-M83 VanDerWaalsContact C-N 3.35Å; Y81-M83 PolarHBondContact O-N 2.92Å; M83-T87 WeakPolarHBondContact O-CB 3.47Å; M83-T87 WeakPolarHBondContact O-CG2 3.34Å; M83-T87 PolarHBondContact O-N 2.77Å; M83-T87 PolarHBondContact O-OG1 2.71Å; M83-T87 HydrophobicContact SD-CG2 4.27Å |
| 84 | L | 96.9 | Very high | 96.4 | Very high | 18 Ų | 18 | 77.5 Ų | 77.5 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -71.4 | -28.9 | 173.7 | -69.8 | 168.8 | 0 | 0 | 0 | 112.9 | L80 Y81 N82 G88 E89 L90 T93 I95 | L80-L84 HydrophobicContact CD1-CD1 4.35Å; L80-L84 HydrophobicContact CG-CD1 4.41Å; L80-L84 WeakPolarHBondContact O-CG 3.45Å; L80-L84 PolarHBondContact O-N 3.4Å; Y81-L84 WeakPolarHBondContact O-CA 3.33Å; Y81-L84 WeakPolarHBondContact O-CB 3.38Å; Y81-L84 PolarHBondContact O-N 3.11Å; N82-L84 VanDerWaalsContact C-N 3.3Å; N82-L84 PolarHBondContact O-N 3.06Å; L84-G88 PolarHBondContact O-N 2.89Å; L84-E89 HydrophobicContact CD2-CB 4.17Å; L84-E89 PolarHBondContact O-N 3.24Å; L84-E89 VanDerWaalsContact O-N 3.13Å; L84-L90 HydrophobicContact CB-CB 4.05Å; L84-L90 HydrophobicContact CB-CD1 4.06Å; L84-L90 HydrophobicContact CD1-CD1 4.45Å; L84-L90 WeakPolarHBondContact O-CB 3.42Å; L84-L90 PolarHBondContact O-N 2.85Å; L84-T93 HydrophobicContact CD1-CG2 3.93Å; L84-T93 HydrophobicContact CD2-CG2 4.33Å; L84-I95 HydrophobicContact CD1-CD1 3.81Å; L84-I95 HydrophobicContact CD1-CG1 4.26Å |
| 85 | V | 97.3 | Very high | 96.4 | Very high | 77 Ų | 77 | 74.7 Ų | 74.7 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.9 | -52.1 | 169.7 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | Y81 N82 T87 G88 L90 | Y81-V85 HydrophobicContact CD1-CG2 4.14Å; Y81-V85 HydrophobicContact CE1-CG2 3.76Å; Y81-V85 PolarHBondContact O-N 3.27Å; N82-V85 WeakPolarHBondContact O-CB 3.5Å; N82-V85 PolarHBondContact O-N 3.42Å; N82-V85 VanDerWaalsContact O-N 3.08Å; V85-T87 VanDerWaalsContact C-N 3.28Å; V85-T87 PolarHBondContact O-N 2.86Å; V85-G88 PolarHBondContact O-N 2.88Å; V85-L90 HydrophobicContact CG2-CD2 3.63Å |
| 86 | E | 97.8 | Very high | 96.4 | Very high | 162 Ų | 162 | 75 Ų | 75 | 76% | 0.757 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.3 | -33.4 | -177.4 | -72.1 | 166.7 | -163.7 | 0 | 0 | 113 | N82 | N82-E86 WeakPolarHBondContact O-CB 3.39Å; N82-E86 VanDerWaalsContact O-CG 3.32Å; N82-E86 WeakPolarHBondContact O-CG 3.42Å; N82-E86 PolarHBondContact O-N 3.11Å |
| 87 | T | 97.4 | Very high | 96.5 | Very high | 83 Ų | 83 | 77.4 Ų | 77.4 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -9 | 175.1 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | M83 V85 E89 | M83-T87 WeakPolarHBondContact O-CB 3.47Å; M83-T87 WeakPolarHBondContact O-CG2 3.34Å; M83-T87 PolarHBondContact O-N 2.77Å; M83-T87 PolarHBondContact O-OG1 2.71Å; M83-T87 HydrophobicContact SD-CG2 4.27Å; V85-T87 VanDerWaalsContact C-N 3.28Å; V85-T87 PolarHBondContact O-N 2.86Å; T87-E89 PolarHBondContact O-N 2.91Å |
| 88 | G | 97 | Very high | 96.4 | Very high | 60 Ų | 60 | 77.3 Ų | 77.3 | 62% | 0.619 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 76.2 | -1.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L84 V85 L90 | L84-G88 PolarHBondContact O-N 2.89Å; V85-G88 PolarHBondContact O-N 2.88Å; G88-L90 VanDerWaalsContact C-N 3.32Å; G88-L90 PolarHBondContact O-N 3.45Å |
| 89 | E | 96.5 | Very high | 96.4 | Very high | 92 Ų | 92 | 73.5 Ų | 73.5 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -81.6 | -3.8 | -176.7 | -71.7 | -70.9 | 174.9 | 0 | 0 | 114 | L84 T87 E91 N92 T93 | L84-E89 HydrophobicContact CD2-CB 4.17Å; L84-E89 PolarHBondContact O-N 3.24Å; L84-E89 VanDerWaalsContact O-N 3.13Å; T87-E89 PolarHBondContact O-N 2.91Å; E89-E91 PolarHBondContact O-N 2.75Å; E89-N92 WeakPolarHBondContact O-CB 3.38Å; E89-N92 PolarHBondContact O-N 3.26Å; E89-N92 VanDerWaalsContact O-N 3.11Å; E89-N92 WeakPolarHBondContact OE2-CB 3.37Å; E89-N92 PolarHBondContact OE2-ND2 2.93Å; E89-T93 WeakPolarHBondContact O-CB 3.48Å; E89-T93 PolarHBondContact O-N 2.98Å; E89-T93 VanDerWaalsContact O-N 3.1Å; E89-T93 PolarHBondContact O-OG1 3.01Å |
| 90 | L | 95.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 71.1 Ų | 71.1 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -56.9 | -44.5 | -176.7 | -178.4 | 63.8 | 0 | 0 | 0 | 113.6 | Y81 L84 V85 G88 N92 T93 I95 | Y81-L90 HydrophobicContact CD2-CD1 3.85Å; Y81-L90 HydrophobicContact CD2-CD2 4.31Å; Y81-L90 HydrophobicContact CE1-CD2 4.4Å; Y81-L90 HydrophobicContact CE2-CD1 3.74Å; Y81-L90 HydrophobicContact CE2-CD2 3.54Å; Y81-L90 HydrophobicContact CE2-CG 4.29Å; L84-L90 HydrophobicContact CB-CB 4.05Å; L84-L90 HydrophobicContact CB-CD1 4.06Å; L84-L90 HydrophobicContact CD1-CD1 4.45Å; L84-L90 WeakPolarHBondContact O-CB 3.42Å; L84-L90 PolarHBondContact O-N 2.85Å; V85-L90 HydrophobicContact CG2-CD2 3.63Å; G88-L90 VanDerWaalsContact C-N 3.32Å; G88-L90 PolarHBondContact O-N 3.45Å; L90-N92 PolarHBondContact O-N 3.47Å; L90-T93 PolarHBondContact O-N 3.18Å; L90-I95 HydrophobicContact CD1-CD1 3.85Å |
| 91 | E | 93.9 | Very high | 96.1 | Very high | 128 Ų | 128 | 71.9 Ų | 71.9 | 60% | 0.598 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -73.3 | -17.3 | -179.1 | -60.1 | -48.5 | 115.5 | 0 | 0 | 113 | E89 R129 P131 | E89-E91 PolarHBondContact O-N 2.75Å; E91-R129 IonicContact OE1-CZ 3.6Å; E91-R129 IonicContact OE1-NH2 3.25Å; E91-R129 PolarHBondContact OE1-NH2 3.26Å; E91-R129 IonicContact OE2-NH2 3.83Å; E91-P131 WeakPolarHBondContact O-CG 3.46Å |
| 92 | N | 95.1 | Very high | 96 | Very high | 116 Ų | 116 | 67.9 Ų | 67.9 | 62% | 0.62 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -90.8 | -10 | 175 | -168.6 | 33.1 | 0 | 0 | 0 | 112.2 | E89 L90 | E89-N92 WeakPolarHBondContact O-CB 3.38Å; E89-N92 PolarHBondContact O-N 3.26Å; E89-N92 VanDerWaalsContact O-N 3.11Å; E89-N92 WeakPolarHBondContact OE2-CB 3.37Å; E89-N92 PolarHBondContact OE2-ND2 2.93Å; L90-N92 PolarHBondContact O-N 3.47Å |
| 93 | T | 96.1 | Very high | 95.8 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 23% | 0.233 | 36% | 0.358 | C | S | . | . | trans | -108.1 | 122.3 | -168.7 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | L84 E89 L90 I95 | L84-T93 HydrophobicContact CD1-CG2 3.93Å; L84-T93 HydrophobicContact CD2-CG2 4.33Å; E89-T93 WeakPolarHBondContact O-CB 3.48Å; E89-T93 PolarHBondContact O-N 2.98Å; E89-T93 VanDerWaalsContact O-N 3.1Å; E89-T93 PolarHBondContact O-OG1 3.01Å; L90-T93 PolarHBondContact O-N 3.18Å; T93-I95 HydrophobicContact CG2-CG1 4.04Å | ||
| 94 | Y | 95.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 26% | 0.263 | 34% | 0.34 | S | S | . | . | trans | -77.1 | 122 | 162.7 | -73 | -87.7 | 0 | 0 | 0 | 110.9 | I128 R129 P131 V133 I155 L170 | Y94-I128 HydrophobicContact CD1-CD1 4.29Å; Y94-R129 CarbonylContact C-O 3.57Å; Y94-R129 VanDerWaalsContact CA-O 3.28Å; Y94-R129 WeakPolarHBondContact CA-O 3.25Å; Y94-P131 HydrophobicContact CD2-CG 4.31Å; Y94-P131 WeakPolarHBondContact CE1-O 3.43Å; Y94-P131 HydrophobicContact CE2-CB 4.21Å; Y94-P131 HydrophobicContact CE2-CG 3.79Å; Y94-P131 PolarHBondContact OH-O 3.16Å; Y94-P131 VanDerWaalsContact OH-O 3.08Å; Y94-V133 HydrophobicContact CE1-CG2 4.07Å; Y94-I155 HydrophobicContact CD1-CD1 4.02Å; Y94-I155 HydrophobicContact CD2-CB 4.48Å; Y94-I155 HydrophobicContact CD2-CD1 4.04Å; Y94-I155 HydrophobicContact CD2-CG1 4.12Å; Y94-I155 HydrophobicContact CD2-CG2 3.52Å; Y94-I155 HydrophobicContact CE1-CD1 4.41Å; Y94-I155 HydrophobicContact CE1-CG1 4.49Å; Y94-I155 HydrophobicContact CE2-CB 4.48Å; Y94-I155 HydrophobicContact CE2-CD1 4.43Å; Y94-I155 HydrophobicContact CE2-CG1 4.07Å; Y94-I155 HydrophobicContact CE2-CG2 3.74Å; Y94-I155 HydrophobicContact CG-CD1 3.8Å; Y94-I155 HydrophobicContact CG-CG1 4.34Å; Y94-I155 HydrophobicContact CG-CG2 4.32Å; Y94-L170 HydrophobicContact CE1-CD2 4.29Å | ||
| 95 | I | 96.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 21% | 0.205 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.9 | 173.2 | -53.9 | 178.1 | 0 | 0 | 0 | 107.6 | Y81 L84 L90 T93 I128 R129 | Y81-I95 HydrophobicContact CD2-CD1 4.33Å; L84-I95 HydrophobicContact CD1-CD1 3.81Å; L84-I95 HydrophobicContact CD1-CG1 4.26Å; L90-I95 HydrophobicContact CD1-CD1 3.85Å; T93-I95 HydrophobicContact CG2-CG1 4.04Å; I95-I128 CarbonylContact O-C 3.59Å; I95-I128 WeakPolarHBondContact O-CA 3.47Å; I95-R129 HydrophobicContact CB-CB 4.45Å; I95-R129 PolarHBondContact N-O 2.8Å; I95-R129 PolarHBondContact O-N 3.12Å |
| 96 | I | 96.3 | Very high | 95.5 | Very high | 49 Ų | 49 | 59.2 Ų | 59.2 | 25% | 0.251 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.7 | 176.7 | -52.5 | 177.4 | 0 | 0 | 0 | 108.1 | F126 F127 I128 L148 | I96-F126 HydrophobicContact CG2-CE2 4.15Å; I96-F126 HydrophobicContact CG2-CZ 4.05Å; I96-F127 WeakPolarHBondContact CA-O 3.32Å; I96-I128 HydrophobicContact CD1-CD1 4.13Å; I96-I128 HydrophobicContact CG1-CD1 3.9Å; I96-I128 HydrophobicContact CG1-CG1 4.01Å; I96-L148 HydrophobicContact CG2-CD2 3.81Å |
| 97 | Y | 96.3 | Very high | 95.4 | Very high | 89 Ų | 89 | 52 Ų | 52 | 35% | 0.349 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129 | 175.2 | -177.3 | -80.4 | 0 | 0 | 0 | 109.6 | V73 V77 P125 F126 F127 | V73-Y97 HydrophobicContact CG1-CE2 4.41Å; V77-Y97 HydrophobicContact CG2-CD2 4.22Å; V77-Y97 HydrophobicContact CG2-CE2 4.15Å; Y97-P125 HydrophobicContact CE1-CG 4.3Å; Y97-F126 WeakPolarHBondContact O-CA 3.34Å; Y97-F127 AromaticContact CD1-CD2 3.92Å; Y97-F127 HydrophobicContact CD1-CD2 3.92Å; Y97-F127 HydrophobicContact CD1-CE2 4.5Å; Y97-F127 PolarHBondContact N-O 2.91Å; Y97-F127 PolarHBondContact O-N 3.48Å |
| 98 | T | 96.2 | Very high | 95.4 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 166.6 | -178.7 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | P125 L148 | T98-P125 WeakPolarHBondContact CA-O 3.41Å; T98-P125 PolarHBondContact OG1-O 2.81Å; T98-L148 HydrophobicContact CG2-CD1 4.03Å; T98-L148 HydrophobicContact CG2-CD2 4.45Å |
| 99 | A | 95.1 | Very high | 95.2 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | trans | -112.1 | 162.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V124 P125 N145 | A99-V124 HydrophobicContact CB-CB 4.08Å; A99-V124 HydrophobicContact CB-CG1 3.91Å; A99-P125 HydrophobicContact CB-CG 4.41Å; A99-N145 PolarHBondContact O-ND2 3.44Å | ||
| 100 | D | 92.9 | Very high | 95.1 | Very high | 114 Ų | 114 | 41.2 Ų | 41.2 | 61% | 0.61 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -81.4 | -26.4 | 178.5 | 64.1 | -36.6 | 0 | 0 | 0 | 113.5 | N145 | D100-N145 PolarHBondContact O-ND2 3.08Š|
| 101 | H | 94.4 | Very high | 95 | Very high | 53 Ų | 53 | 41 Ų | 41 | 25% | 0.245 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -161.4 | 168.2 | 177.5 | 55 | 56.9 | 0 | 0 | 0 | 111.9 | K114 | H101-K114 VanDerWaalsContact CD2-CD 3.44Å; H101-K114 WeakPolarHBondContact CD2-CD 3.4Å; H101-K114 PolarHBondContact CD2-NZ 2.04Å; H101-K114 WeakPolarHBondContact CE1-CD 3.44Å; H101-K114 WeakPolarHBondContact NE2-CD 3.43Å; H101-K114 WeakPolarHBondContact NE2-CE 3.38Å; H101-K114 PolarHBondContact NE2-NZ 2.63Å |
| 102 | G | 94.2 | Very high | 95 | Very high | 9 Ų | 9 | 36 Ų | 36 | 9% | 0.093 | 19% | 0.186 | C | C | . | . | trans | -74 | -171.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113 | F120 D121 | G102-F120 CarbonylContact C-O 3.6Å; G102-F120 VanDerWaalsContact CA-O 3.27Å; G102-F120 WeakPolarHBondContact CA-O 3.16Å; G102-D121 WeakPolarHBondContact CA-O 3.41Å; G102-D121 PolarHBondContact N-O 3.01Å | ||
| 103 | Y | 94.3 | Very high | 94.8 | Very high | 46 Ų | 46 | 31 Ų | 31 | 18% | 0.18 | 16% | 0.162 | C | C | . | . | trans | -160.2 | 119.5 | -178.6 | -163.7 | -94.5 | 0 | 0 | 0 | 113.4 | R66 I105 K112 G113 K114 F120 | R66-Y103 VanDerWaalsContact NH2-CD1 3.34Å; R66-Y103 VanDerWaalsContact NH2-CG 3.3Å; Y103-I105 HydrophobicContact CD1-CD1 4.06Å; Y103-I105 HydrophobicContact CD1-CG1 3.64Å; Y103-I105 HydrophobicContact CE1-CD1 4.2Å; Y103-I105 HydrophobicContact CE1-CG1 3.75Å; Y103-K112 HydrophobicContact CE1-CB 4.17Å; Y103-K112 WeakPolarHBondContact OH-CD 3.14Å; Y103-G113 WeakPolarHBondContact CA-O 3.28Å; Y103-G113 WeakPolarHBondContact CD2-O 3.19Å; Y103-K114 HydrophobicContact CD2-CB 4.3Å; Y103-F120 PolarHBondContact N-O 3.26Å | ||
| 104 | H | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -84.8 | 144.4 | 173 | 57 | -98.1 | 0 | 0 | 0 | 114.3 | Q107 L110 K112 G113 K114 F120 D121 | H104-Q107 HydrophobicContact CB-CB 4.33Å; H104-L110 WeakPolarHBondContact CD2-CB 3.26Å; H104-K112 WeakPolarHBondContact O-CA 3.32Å; H104-G113 PolarHBondContact CD2-N 3.11Å; H104-G113 VanDerWaalsContact CD2-N 3.27Å; H104-G113 VanDerWaalsContact CE1-CA 3.46Å; H104-G113 WeakPolarHBondContact CE1-CA 3.38Å; H104-G113 PolarHBondContact N-O 3.04Å; H104-G113 VanDerWaalsContact N-O 3.09Å; H104-G113 PolarHBondContact ND1-O 2.75Å; H104-G113 WeakPolarHBondContact NE2-CA 3.29Å; H104-G113 PolarHBondContact NE2-N 2.89Å; H104-G113 PolarHBondContact O-N 3.36Å; H104-G113 VanDerWaalsContact O-N 3.17Å; H104-K114 PolarHBondContact CE1-N 2.86Å; H104-F120 HydrophobicContact CB-CD2 3.68Å; H104-F120 HydrophobicContact CB-CE2 3.57Å; H104-F120 HydrophobicContact CB-CZ 4.45Å; H104-F120 AromaticContact ND1-CE2 4Å; H104-D121 IonicContact CE1-OD1 3.42Å; H104-D121 IonicContact CE1-OD2 2.7Å; H104-D121 PolarHBondContact CE1-OD2 2.92Å; H104-D121 IonicContact CG-OD1 2.7Å; H104-D121 PolarHBondContact N-OD1 3.03Å; H104-D121 VanDerWaalsContact N-OD1 3.15Å; H104-D121 IonicContact ND1-OD1 2.94Å; H104-D121 PolarHBondContact ND1-OD1 3.14Å; H104-D121 IonicContact ND1-OD2 3.5Å; H104-D121 PolarHBondContact ND1-OD2 2.79Å |
| 105 | I | 95.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -139.8 | 90.6 | 176.8 | -55.9 | 179.1 | 0 | 0 | 0 | 106.7 | H28 Y33 T59 L62 Q63 Y103 Q107 | H28-I105 HydrophobicContact CB-CB 4.26Å; H28-I105 HydrophobicContact CB-CG2 4.35Å; Y33-I105 WeakPolarHBondContact CD2-O 3.49Å; T59-I105 HydrophobicContact CG2-CG2 3.63Å; L62-I105 HydrophobicContact CD2-CG1 4.43Å; L62-I105 HydrophobicContact CD2-CG2 4.29Å; Q63-I105 HydrophobicContact CB-CD1 4.25Å; Y103-I105 HydrophobicContact CD1-CD1 4.06Å; Y103-I105 HydrophobicContact CD1-CG1 3.64Å; Y103-I105 HydrophobicContact CE1-CD1 4.2Å; Y103-I105 HydrophobicContact CE1-CG1 3.75Å; I105-Q107 VanDerWaalsContact C-OE1 3.27Å; I105-Q107 PolarHBondContact O-N 3.38Å; I105-Q107 PolarHBondContact O-NE2 2.9Å; I105-Q107 PolarHBondContact O-OE1 3.11Å; I105-Q107 VanDerWaalsContact O-OE1 3.1Å |
| 106 | G | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 83.1 | -9.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | N34 F108 G109 L110 V111 | N34-G106 PolarHBondContact N-O 2.77Å; G106-F108 PolarHBondContact O-N 3.26Å; G106-G109 PolarHBondContact O-N 3.46Å; G106-G109 VanDerWaalsContact O-N 3.17Å; G106-L110 VanDerWaalsContact CA-O 3.27Å; G106-L110 WeakPolarHBondContact CA-O 3.47Å; G106-L110 PolarHBondContact N-O 2.63Å; G106-V111 PolarHBondContact N-O 3.41Å |
| 107 | Q | 96.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.056 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -58.6 | 134.7 | 175 | -73.1 | 69.6 | 33.9 | 0 | 0 | 111.4 | H28 T30 S32 H104 I105 G109 L110 F120 | H28-Q107 PolarHBondContact O-NE2 2.85Å; T30-Q107 PolarHBondContact OG1-NE2 3.21Å; S32-Q107 CarbonylContact O-C 3.57Å; S32-Q107 WeakPolarHBondContact O-CA 3.47Å; H104-Q107 HydrophobicContact CB-CB 4.33Å; I105-Q107 VanDerWaalsContact C-OE1 3.27Å; I105-Q107 PolarHBondContact O-N 3.38Å; I105-Q107 PolarHBondContact O-NE2 2.9Å; I105-Q107 PolarHBondContact O-OE1 3.11Å; I105-Q107 VanDerWaalsContact O-OE1 3.1Å; Q107-G109 PolarHBondContact O-N 2.83Å; Q107-G109 VanDerWaalsContact O-N 3.1Å; Q107-L110 VanDerWaalsContact O-CB 3.25Å; Q107-L110 WeakPolarHBondContact O-CB 3.49Å; Q107-L110 WeakPolarHBondContact O-CG 3.26Å; Q107-L110 PolarHBondContact O-N 3.17Å; Q107-F120 HydrophobicContact CB-CD1 4.22Å; Q107-F120 HydrophobicContact CB-CE1 3.64Å; Q107-F120 HydrophobicContact CB-CE2 4.22Å; Q107-F120 HydrophobicContact CB-CZ 3.62Å; Q107-F120 HydrophobicContact CG-CD1 3.94Å; Q107-F120 HydrophobicContact CG-CE1 3.85Å; Q107-F120 HydrophobicContact CG-CG 4.42Å; Q107-F120 HydrophobicContact CG-CZ 4.26Å |
| 108 | F | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 30.4 | -175 | -53.5 | -53.2 | 0 | 0 | 0 | 114.8 | S32 Y35 K41 M45 T48 G106 L110 Y118 F120 Y592 Q593 L594 | S32-F108 PolarHBondContact O-N 3.04Å; Y35-F108 HydrophobicContact CD1-CD1 4.12Å; Y35-F108 HydrophobicContact CD1-CE1 4.17Å; Y35-F108 WeakPolarHBondContact O-CA 3.32Å; K41-F108 HydrophobicContact CD-CE1 4.48Å; K41-F108 HydrophobicContact CD-CZ 4.5Å; M45-F108 HydrophobicContact SD-CB 3.84Å; M45-F108 HydrophobicContact SD-CD2 4.28Å; M45-F108 HydrophobicContact SD-CG 4.37Å; T48-F108 VanDerWaalsContact CG2-O 3.23Å; T48-F108 WeakPolarHBondContact CG2-O 3.33Å; G106-F108 PolarHBondContact O-N 3.26Å; F108-L110 VanDerWaalsContact C-N 3.27Å; F108-L110 PolarHBondContact O-N 3.47Å; F108-Y118 AromaticContact CD2-CD2 3.78Å; F108-Y118 HydrophobicContact CD2-CD2 3.78Å; F108-Y118 AromaticContact CD2-CE2 3.64Å; F108-Y118 HydrophobicContact CD2-CE2 3.64Å; F108-Y118 HydrophobicContact CD2-CG 4.5Å; F108-Y118 HydrophobicContact CE2-CD1 4.24Å; F108-Y118 AromaticContact CE2-CD2 3.68Å; F108-Y118 HydrophobicContact CE2-CD2 3.68Å; F108-Y118 HydrophobicContact CE2-CE1 4.34Å; F108-Y118 AromaticContact CE2-CE2 3.75Å; F108-Y118 HydrophobicContact CE2-CE2 3.75Å; F108-Y118 AromaticContact CE2-CG 3.94Å; F108-Y118 HydrophobicContact CE2-CG 3.94Å; F108-F120 HydrophobicContact CD2-CE1 4.06Å; F108-F120 AromaticContact CD2-CZ 3.83Å; F108-F120 HydrophobicContact CD2-CZ 3.83Å; F108-F120 AromaticContact CE2-CE1 3.68Å; F108-F120 HydrophobicContact CE2-CE1 3.68Å; F108-F120 AromaticContact CE2-CZ 3.87Å; F108-F120 HydrophobicContact CE2-CZ 3.87Å; F108-Y592 WeakPolarHBondContact CZ-O 3.38Å; F108-Q593 HydrophobicContact CZ-CB 4.17Å; F108-Q593 VanDerWaalsContact CZ-O 3.3Å; F108-Q593 WeakPolarHBondContact CZ-O 3.44Å; F108-L594 HydrophobicContact CE1-CD2 4.3Å |
| 109 | G | 94.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 21.1 Ų | 21.1 | 6% | 0.062 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 1.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G106 Q107 V111 | G106-G109 PolarHBondContact O-N 3.46Å; G106-G109 VanDerWaalsContact O-N 3.17Å; Q107-G109 PolarHBondContact O-N 2.83Å; Q107-G109 VanDerWaalsContact O-N 3.1Å; G109-V111 PolarHBondContact O-N 2.86Å |
| 110 | L | 94.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | trans | -80.8 | 102.5 | -177.3 | -57.7 | 166.9 | 0 | 0 | 0 | 111 | M45 T48 H104 G106 Q107 F108 K112 M116 T553 | M45-L110 HydrophobicContact CE-CD1 3.88Å; M45-L110 HydrophobicContact CE-CD2 3.81Å; M45-L110 HydrophobicContact CE-CG 4.19Å; M45-L110 HydrophobicContact SD-CD1 4.1Å; T48-L110 HydrophobicContact CG2-CD2 4.25Å; H104-L110 WeakPolarHBondContact CD2-CB 3.26Å; G106-L110 VanDerWaalsContact CA-O 3.27Å; G106-L110 WeakPolarHBondContact CA-O 3.47Å; G106-L110 PolarHBondContact N-O 2.63Å; Q107-L110 VanDerWaalsContact O-CB 3.25Å; Q107-L110 WeakPolarHBondContact O-CB 3.49Å; Q107-L110 WeakPolarHBondContact O-CG 3.26Å; Q107-L110 PolarHBondContact O-N 3.17Å; F108-L110 VanDerWaalsContact C-N 3.27Å; F108-L110 PolarHBondContact O-N 3.47Å; L110-K112 PolarHBondContact O-N 3.05Å; L110-M116 HydrophobicContact CD1-CE 3.82Å; L110-M116 HydrophobicContact CD1-CG 3.71Å; L110-M116 HydrophobicContact CD1-SD 4.4Å; L110-M116 HydrophobicContact CD2-CE 4.01Å; L110-T553 HydrophobicContact CB-CG2 4.19Å; L110-T553 HydrophobicContact CD2-CG2 4.36Å | ||
| 111 | V | 93.7 | Very high | 94 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 3% | 0.03 | 8% | 0.084 | C | C | . | . | trans | -47.8 | -55.7 | -175.1 | -170.7 | 0 | 0 | 0 | 0 | 113.3 | M51 H55 F58 T59 G106 G109 F549 A551 T553 | M51-V111 HydrophobicContact SD-CG2 4.48Å; H55-V111 HydrophobicContact CB-CG2 3.98Å; F58-V111 HydrophobicContact CD1-CG1 3.65Å; F58-V111 HydrophobicContact CE1-CG1 4.12Å; T59-V111 HydrophobicContact CG2-CG1 4.13Å; T59-V111 WeakPolarHBondContact CG2-O 3.48Å; G106-V111 PolarHBondContact N-O 3.41Å; G109-V111 PolarHBondContact O-N 2.86Å; V111-F549 HydrophobicContact CG1-CE2 4.11Å; V111-F549 HydrophobicContact CG1-CZ 4.37Å; V111-A551 HydrophobicContact CB-CB 3.98Å; V111-A551 HydrophobicContact CG1-CB 4.5Å; V111-A551 HydrophobicContact CG2-CB 4.03Å; V111-T553 HydrophobicContact CB-CG2 4.45Å | ||
| 112 | K | 92.5 | Very high | 94 | Very high | 24 Ų | 24 | 16.1 Ų | 16.1 | 10% | 0.104 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -155.4 | 150.2 | 167.5 | 77.5 | -174.4 | -170.6 | 176.1 | 0 | 113.9 | E12 F58 L62 Y103 H104 L110 H537 T553 | E12-K112 VanDerWaalsContact CD-NZ 3.34Å; E12-K112 IonicContact OE1-NZ 3.98Å; E12-K112 PolarHBondContact OE1-NZ 2.63Å; E12-K112 IonicContact OE2-NZ 3.02Å; E12-K112 PolarHBondContact OE2-NZ 3Å; F58-K112 HydrophobicContact CE1-CD 4.13Å; L62-K112 HydrophobicContact CD1-CD 4.21Å; L62-K112 HydrophobicContact CD2-CB 3.65Å; L62-K112 HydrophobicContact CD2-CD 3.46Å; L62-K112 VanDerWaalsContact CD2-CD 3.46Å; L62-K112 HydrophobicContact CD2-CG 4.22Å; Y103-K112 HydrophobicContact CE1-CB 4.17Å; Y103-K112 WeakPolarHBondContact OH-CD 3.14Å; H104-K112 WeakPolarHBondContact O-CA 3.32Å; L110-K112 PolarHBondContact O-N 3.05Å; K112-H537 PolarHBondContact NZ-CE1 2.8Å; K112-H537 VanDerWaalsContact NZ-CE1 3.31Å; K112-H537 PolarHBondContact NZ-NE2 2.84Å; K112-T553 WeakPolarHBondContact O-CB 3.17Å; K112-T553 WeakPolarHBondContact O-CG2 3.39Å; K112-T553 PolarHBondContact O-OG1 3.48Å |
| 113 | G | 91.9 | Very high | 94 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 12% | 0.124 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | 169 | -166.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y103 H104 | Y103-G113 WeakPolarHBondContact CA-O 3.28Å; Y103-G113 WeakPolarHBondContact CD2-O 3.19Å; H104-G113 PolarHBondContact CD2-N 3.11Å; H104-G113 VanDerWaalsContact CD2-N 3.27Å; H104-G113 VanDerWaalsContact CE1-CA 3.46Å; H104-G113 WeakPolarHBondContact CE1-CA 3.38Å; H104-G113 PolarHBondContact N-O 3.04Å; H104-G113 VanDerWaalsContact N-O 3.09Å; H104-G113 PolarHBondContact ND1-O 2.75Å; H104-G113 WeakPolarHBondContact NE2-CA 3.29Å; H104-G113 PolarHBondContact NE2-N 2.89Å; H104-G113 PolarHBondContact O-N 3.36Å; H104-G113 VanDerWaalsContact O-N 3.17Å |
| 114 | K | 91.5 | Very high | 94.1 | Very high | 80 Ų | 80 | 23.7 Ų | 23.7 | 35% | 0.348 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -165.3 | 64.2 | -173.3 | 49.3 | 166.8 | -177.9 | 175.9 | 0 | 110.2 | H101 Y103 H104 | H101-K114 VanDerWaalsContact CD2-CD 3.44Å; H101-K114 WeakPolarHBondContact CD2-CD 3.4Å; H101-K114 PolarHBondContact CD2-NZ 2.04Å; H101-K114 WeakPolarHBondContact CE1-CD 3.44Å; H101-K114 WeakPolarHBondContact NE2-CD 3.43Å; H101-K114 WeakPolarHBondContact NE2-CE 3.38Å; H101-K114 PolarHBondContact NE2-NZ 2.63Å; Y103-K114 HydrophobicContact CD2-CB 4.3Å; H104-K114 PolarHBondContact CE1-N 2.86Å |
| 115 | S | 89.8 | Confident | 94.1 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 13% | 0.133 | 13% | 0.131 | C | C | . | . | trans | -155.3 | 9.4 | -162.4 | -81.5 | 0 | 0 | 0 | 0 | 116.9 | D121 R199 | S115-D121 PolarHBondContact N-OD2 2.74Å; S115-R199 VanDerWaalsContact CA-NH1 3.28Å; S115-R199 PolarHBondContact O-NH1 3Å; S115-R199 PolarHBondContact OG-NH1 2.73Å; S115-R199 PolarHBondContact OG-NH2 2.96Å | ||
| 116 | M | 92.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -110.3 | 163.4 | 177.6 | -55.4 | -52.5 | 160.3 | 0 | 0 | 110.7 | I44 M45 L110 Y118 D121 T553 Y560 | I44-M116 HydrophobicContact CD1-CE 4.28Å; I44-M116 HydrophobicContact CG2-CE 4.14Å; M45-M116 HydrophobicContact CE-CE 3.76Å; M45-M116 HydrophobicContact CE-SD 3.77Å; L110-M116 HydrophobicContact CD1-CE 3.82Å; L110-M116 HydrophobicContact CD1-CG 3.71Å; L110-M116 HydrophobicContact CD1-SD 4.4Å; L110-M116 HydrophobicContact CD2-CE 4.01Å; M116-Y118 VanDerWaalsContact C-N 3.28Å; M116-Y118 HydrophobicContact CB-CD2 3.42Å; M116-Y118 VanDerWaalsContact CB-CD2 3.42Å; M116-Y118 HydrophobicContact CB-CE2 3.83Å; M116-Y118 HydrophobicContact CB-CG 4.26Å; M116-Y118 HydrophobicContact CG-CD2 4.09Å; M116-Y118 HydrophobicContact CG-CE2 4.2Å; M116-Y118 PolarHBondContact O-N 3.02Å; M116-D121 WeakPolarHBondContact CB-OD2 3.4Å; M116-D121 PolarHBondContact N-OD2 3.13Å; M116-D121 WeakPolarHBondContact O-CB 3.1Å; M116-T553 WeakPolarHBondContact CE-O 3.34Å; M116-Y560 PolarHBondContact O-OH 3.45Å |
| 117 | P | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -79.9 | -6.4 | 177.8 | 32.1 | -36.4 | 0 | 0 | 0 | 114.6 | Y560 C562 L573 C575 F577 | P117-Y560 HydrophobicContact CB-CD2 4.08Å; P117-Y560 HydrophobicContact CB-CE2 3.72Å; P117-C562 WeakPolarHBondContact CB-SG 3.43Å; P117-L573 WeakPolarHBondContact O-CD2 3.43Å; P117-C575 VanDerWaalsContact CB-SG 3.51Å; P117-F577 HydrophobicContact CG-CZ 4.13Å |
| 118 | Y | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -66.6 | 155 | -171.4 | -56.3 | -48 | 0 | 0 | 0 | 113.5 | H42 M45 F108 M116 F120 D121 I122 E583 F585 Q593 | H42-Y118 AromaticContact CE1-CZ 3.91Å; H42-Y118 PolarHBondContact CE1-OH 2.7Å; H42-Y118 VanDerWaalsContact CE1-OH 3.23Å; H42-Y118 PolarHBondContact ND1-OH 3.32Å; H42-Y118 VanDerWaalsContact ND1-OH 3.11Å; M45-Y118 HydrophobicContact CG-CE2 4.39Å; M45-Y118 WeakPolarHBondContact CG-OH 3.35Å; M45-Y118 HydrophobicContact SD-CE2 3.8Å; F108-Y118 AromaticContact CD2-CD2 3.78Å; F108-Y118 HydrophobicContact CD2-CD2 3.78Å; F108-Y118 AromaticContact CD2-CE2 3.64Å; F108-Y118 HydrophobicContact CD2-CE2 3.64Å; F108-Y118 HydrophobicContact CD2-CG 4.5Å; F108-Y118 HydrophobicContact CE2-CD1 4.24Å; F108-Y118 AromaticContact CE2-CD2 3.68Å; F108-Y118 HydrophobicContact CE2-CD2 3.68Å; F108-Y118 HydrophobicContact CE2-CE1 4.34Å; F108-Y118 AromaticContact CE2-CE2 3.75Å; F108-Y118 HydrophobicContact CE2-CE2 3.75Å; F108-Y118 AromaticContact CE2-CG 3.94Å; F108-Y118 HydrophobicContact CE2-CG 3.94Å; M116-Y118 VanDerWaalsContact C-N 3.28Å; M116-Y118 HydrophobicContact CB-CD2 3.42Å; M116-Y118 VanDerWaalsContact CB-CD2 3.42Å; M116-Y118 HydrophobicContact CB-CE2 3.83Å; M116-Y118 HydrophobicContact CB-CG 4.26Å; M116-Y118 HydrophobicContact CG-CD2 4.09Å; M116-Y118 HydrophobicContact CG-CE2 4.2Å; M116-Y118 PolarHBondContact O-N 3.02Å; Y118-F120 VanDerWaalsContact CB-CZ 3.47Å; Y118-F120 HydrophobicContact CD2-CE1 4.11Å; Y118-F120 HydrophobicContact CD2-CE2 4.02Å; Y118-F120 AromaticContact CD2-CZ 3.43Å; Y118-F120 HydrophobicContact CD2-CZ 3.43Å; Y118-F120 VanDerWaalsContact CD2-CZ 3.43Å; Y118-F120 HydrophobicContact CG-CE1 4.07Å; Y118-F120 HydrophobicContact CG-CE2 4.39Å; Y118-F120 AromaticContact CG-CZ 3.81Å; Y118-F120 HydrophobicContact CG-CZ 3.81Å; Y118-F120 PolarHBondContact O-N 3.29Å; Y118-F120 VanDerWaalsContact O-N 3.12Å; Y118-D121 PolarHBondContact O-N 3.01Å; Y118-I122 PolarHBondContact O-N 3.32Å; Y118-E583 PolarHBondContact OH-OE1 3.17Å; Y118-E583 VanDerWaalsContact OH-OE1 3.12Å; Y118-E583 PolarHBondContact OH-OE2 2.97Å; Y118-F585 HydrophobicContact CD1-CE2 4.32Å; Y118-F585 AromaticContact CE1-CE2 3.81Å; Y118-F585 HydrophobicContact CE1-CE2 3.81Å; Y118-F585 HydrophobicContact CE1-CZ 4.01Å; Y118-Q593 VanDerWaalsContact CB-OE1 3.24Å; Y118-Q593 HydrophobicContact CD1-CB 4.38Å |
| 119 | D | 94.1 | Very high | 94 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -36.8 | -169.7 | -150 | 78.5 | 0 | 0 | 0 | 110.8 | D121 I122 R123 R564 M587 | D119-D121 VanDerWaalsContact C-N 3.28Å; D119-D121 PolarHBondContact O-N 3.34Å; D119-I122 PolarHBondContact O-N 3.02Å; D119-R123 WeakPolarHBondContact O-CB 3.4Å; D119-R123 PolarHBondContact O-N 2.86Å; D119-R123 WeakPolarHBondContact OD2-CD 3.4Å; D119-R123 IonicContact OD2-CZ 3.09Å; D119-R123 IonicContact OD2-NE 2.67Å; D119-R123 IonicContact OD2-NH1 3.98Å; D119-R123 PolarHBondContact OD2-NH1 3.44Å; D119-R123 VanDerWaalsContact OD2-NH1 3.11Å; D119-R564 IonicContact OD1-CZ 2.73Å; D119-R564 IonicContact OD1-NE 3.42Å; D119-R564 PolarHBondContact OD1-NE 3.26Å; D119-R564 IonicContact OD1-NH2 2.96Å; D119-R564 PolarHBondContact OD1-NH2 2.92Å; D119-M587 HydrophobicContact CB-CE 3.69Å |
| 120 | F | 94.1 | Very high | 93.9 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 20% | 0.197 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.8 | -19.7 | 177.1 | 56.2 | -113.6 | 0 | 0 | 0 | 115.7 | G102 Y103 H104 Q107 F108 Y118 | G102-F120 CarbonylContact C-O 3.6Å; G102-F120 VanDerWaalsContact CA-O 3.27Å; G102-F120 WeakPolarHBondContact CA-O 3.16Å; Y103-F120 PolarHBondContact N-O 3.26Å; H104-F120 HydrophobicContact CB-CD2 3.68Å; H104-F120 HydrophobicContact CB-CE2 3.57Å; H104-F120 HydrophobicContact CB-CZ 4.45Å; H104-F120 AromaticContact ND1-CE2 4Å; Q107-F120 HydrophobicContact CB-CD1 4.22Å; Q107-F120 HydrophobicContact CB-CE1 3.64Å; Q107-F120 HydrophobicContact CB-CE2 4.22Å; Q107-F120 HydrophobicContact CB-CZ 3.62Å; Q107-F120 HydrophobicContact CG-CD1 3.94Å; Q107-F120 HydrophobicContact CG-CE1 3.85Å; Q107-F120 HydrophobicContact CG-CG 4.42Å; Q107-F120 HydrophobicContact CG-CZ 4.26Å; F108-F120 HydrophobicContact CD2-CE1 4.06Å; F108-F120 AromaticContact CD2-CZ 3.83Å; F108-F120 HydrophobicContact CD2-CZ 3.83Å; F108-F120 AromaticContact CE2-CE1 3.68Å; F108-F120 HydrophobicContact CE2-CE1 3.68Å; F108-F120 AromaticContact CE2-CZ 3.87Å; F108-F120 HydrophobicContact CE2-CZ 3.87Å; Y118-F120 VanDerWaalsContact CB-CZ 3.47Å; Y118-F120 HydrophobicContact CD2-CE1 4.11Å; Y118-F120 HydrophobicContact CD2-CE2 4.02Å; Y118-F120 AromaticContact CD2-CZ 3.43Å; Y118-F120 HydrophobicContact CD2-CZ 3.43Å; Y118-F120 VanDerWaalsContact CD2-CZ 3.43Å; Y118-F120 HydrophobicContact CG-CE1 4.07Å; Y118-F120 HydrophobicContact CG-CE2 4.39Å; Y118-F120 AromaticContact CG-CZ 3.81Å; Y118-F120 HydrophobicContact CG-CZ 3.81Å; Y118-F120 PolarHBondContact O-N 3.29Å; Y118-F120 VanDerWaalsContact O-N 3.12Å |
| 121 | D | 94.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -100.3 | -18.5 | 178.5 | -95.8 | 6.2 | 0 | 0 | 0 | 112.6 | G102 H104 S115 M116 Y118 D119 | G102-D121 WeakPolarHBondContact CA-O 3.41Å; G102-D121 PolarHBondContact N-O 3.01Å; H104-D121 IonicContact CE1-OD1 3.42Å; H104-D121 IonicContact CE1-OD2 2.7Å; H104-D121 PolarHBondContact CE1-OD2 2.92Å; H104-D121 IonicContact CG-OD1 2.7Å; H104-D121 PolarHBondContact N-OD1 3.03Å; H104-D121 VanDerWaalsContact N-OD1 3.15Å; H104-D121 IonicContact ND1-OD1 2.94Å; H104-D121 PolarHBondContact ND1-OD1 3.14Å; H104-D121 IonicContact ND1-OD2 3.5Å; H104-D121 PolarHBondContact ND1-OD2 2.79Å; S115-D121 PolarHBondContact N-OD2 2.74Å; M116-D121 WeakPolarHBondContact CB-OD2 3.4Å; M116-D121 PolarHBondContact N-OD2 3.13Å; M116-D121 WeakPolarHBondContact O-CB 3.1Å; Y118-D121 PolarHBondContact O-N 3.01Å; D119-D121 VanDerWaalsContact C-N 3.28Å; D119-D121 PolarHBondContact O-N 3.34Å |
| 122 | I | 94.8 | Very high | 93.4 | Very high | 44 Ų | 44 | 47.3 Ų | 47.3 | 23% | 0.226 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -109.3 | -25.4 | -175.8 | 66.3 | 173 | 0 | 0 | 0 | 113.9 | Y118 D119 V197 R564 | Y118-I122 PolarHBondContact O-N 3.32Å; D119-I122 PolarHBondContact O-N 3.02Å; I122-V197 HydrophobicContact CD1-CG2 3.95Å; I122-V197 HydrophobicContact CG2-CG1 3.86Å; I122-V197 HydrophobicContact CG2-CG2 4.45Å; I122-R564 HydrophobicContact CD1-CG 4.47Å |
| 123 | R | 94.7 | Very high | 93.3 | Very high | 176 Ų | 176 | 47.3 Ų | 47.3 | 66% | 0.664 | 24% | 0.241 | S | C | * | . | trans | -86.3 | 131.1 | -176.2 | -172.5 | 169.2 | 175.1 | 179.7 | -1.1 | 110.8 | D119 | D119-R123 WeakPolarHBondContact O-CB 3.4Å; D119-R123 PolarHBondContact O-N 2.86Å; D119-R123 WeakPolarHBondContact OD2-CD 3.4Å; D119-R123 IonicContact OD2-CZ 3.09Å; D119-R123 IonicContact OD2-NE 2.67Å; D119-R123 IonicContact OD2-NH1 3.98Å; D119-R123 PolarHBondContact OD2-NH1 3.44Å; D119-R123 VanDerWaalsContact OD2-NH1 3.11Å | ||
| 124 | V | 95.5 | Very high | 93.2 | Very high | 38 Ų | 38 | 52.1 Ų | 52.1 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | trans | -125 | 153.5 | -177.2 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | A99 | A99-V124 HydrophobicContact CB-CB 4.08Å; A99-V124 HydrophobicContact CB-CG1 3.91Å | ||
| 125 | P | 95 | Very high | 93.2 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | trans | -64.2 | 145.8 | 163.3 | 29.8 | -34.8 | 0 | 0 | 0 | 109.7 | Y97 T98 A99 F127 | Y97-P125 HydrophobicContact CE1-CG 4.3Å; T98-P125 WeakPolarHBondContact CA-O 3.41Å; T98-P125 PolarHBondContact OG1-O 2.81Å; A99-P125 HydrophobicContact CB-CG 4.41Å; P125-F127 HydrophobicContact CB-CD2 4.5Å; P125-F127 HydrophobicContact CB-CE2 3.95Å | ||
| 126 | F | 95.6 | Very high | 93.2 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 23% | 0.228 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 117.6 | 170.5 | -174.2 | -79.6 | 0 | 0 | 0 | 108.1 | I96 Y97 I128 V143 L148 | I96-F126 HydrophobicContact CG2-CE2 4.15Å; I96-F126 HydrophobicContact CG2-CZ 4.05Å; Y97-F126 WeakPolarHBondContact O-CA 3.34Å; F126-I128 HydrophobicContact CE1-CB 4.34Å; F126-I128 HydrophobicContact CE1-CG2 4.27Å; F126-V143 HydrophobicContact CD2-CG1 4.03Å; F126-V143 HydrophobicContact CE1-CG1 4.37Å; F126-V143 HydrophobicContact CE2-CG1 3.79Å; F126-V143 HydrophobicContact CG-CG1 4.41Å; F126-V143 HydrophobicContact CZ-CG1 3.99Å; F126-L148 HydrophobicContact CE2-CD2 3.71Å; F126-L148 HydrophobicContact CE2-CG 4.4Å; F126-L148 HydrophobicContact CZ-CD2 4.35Å |
| 127 | F | 95.5 | Very high | 93.2 | Very high | 139 Ų | 139 | 59.7 Ų | 59.7 | 61% | 0.61 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.5 | 175.5 | -56.7 | -74 | 0 | 0 | 0 | 109.7 | I96 Y97 P125 | I96-F127 WeakPolarHBondContact CA-O 3.32Å; Y97-F127 AromaticContact CD1-CD2 3.92Å; Y97-F127 HydrophobicContact CD1-CD2 3.92Å; Y97-F127 HydrophobicContact CD1-CE2 4.5Å; Y97-F127 PolarHBondContact N-O 2.91Å; Y97-F127 PolarHBondContact O-N 3.48Å; P125-F127 HydrophobicContact CB-CD2 4.5Å; P125-F127 HydrophobicContact CB-CE2 3.95Å |
| 128 | I | 95.1 | Very high | 93 | Very high | 33 Ų | 33 | 67 Ų | 67 | 17% | 0.169 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 134.2 | 174.9 | -175.4 | 164 | 0 | 0 | 0 | 110.5 | Y94 I95 I96 F126 V133 L173 | Y94-I128 HydrophobicContact CD1-CD1 4.29Å; I95-I128 CarbonylContact O-C 3.59Å; I95-I128 WeakPolarHBondContact O-CA 3.47Å; I96-I128 HydrophobicContact CD1-CD1 4.13Å; I96-I128 HydrophobicContact CG1-CD1 3.9Å; I96-I128 HydrophobicContact CG1-CG1 4.01Å; F126-I128 HydrophobicContact CE1-CB 4.34Å; F126-I128 HydrophobicContact CE1-CG2 4.27Å; I128-V133 HydrophobicContact CG2-CG1 4.39Å; I128-L173 HydrophobicContact CD1-CD1 4Å; I128-L173 HydrophobicContact CG2-CD1 3.94Å; I128-L173 HydrophobicContact CG2-CD2 4.27Å |
| 129 | R | 94.1 | Very high | 92.7 | Very high | 88 Ų | 88 | 69.4 Ų | 69.4 | 33% | 0.332 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 149.3 | 165.7 | 171.1 | -178.3 | 175 | 88 | 9.3 | 107.9 | E91 Y94 I95 | E91-R129 IonicContact OE1-CZ 3.6Å; E91-R129 IonicContact OE1-NH2 3.25Å; E91-R129 PolarHBondContact OE1-NH2 3.26Å; E91-R129 IonicContact OE2-NH2 3.83Å; Y94-R129 CarbonylContact C-O 3.57Å; Y94-R129 VanDerWaalsContact CA-O 3.28Å; Y94-R129 WeakPolarHBondContact CA-O 3.25Å; I95-R129 HydrophobicContact CB-CB 4.45Å; I95-R129 PolarHBondContact N-O 2.8Å; I95-R129 PolarHBondContact O-N 3.12Å |
| 130 | G | 93.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 73.6 Ų | 73.6 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | S | Bend | trans | 164.1 | -171.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112 | S132 V133 | G130-S132 PolarHBondContact O-N 3.01Å; G130-V133 PolarHBondContact O-N 3.31Å |
| 131 | P | 90.7 | Very high | 92.3 | Very high | 44 Ų | 44 | 74.6 Ų | 74.6 | 29% | 0.286 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | 136.6 | 170.4 | -24.9 | 27.8 | 0 | 0 | 0 | 112.6 | E91 Y94 V133 | E91-P131 WeakPolarHBondContact O-CG 3.46Å; Y94-P131 HydrophobicContact CD2-CG 4.31Å; Y94-P131 WeakPolarHBondContact CE1-O 3.43Å; Y94-P131 HydrophobicContact CE2-CB 4.21Å; Y94-P131 HydrophobicContact CE2-CG 3.79Å; Y94-P131 PolarHBondContact OH-O 3.16Å; Y94-P131 VanDerWaalsContact OH-O 3.08Å; P131-V133 PolarHBondContact O-N 2.89Å; P131-V133 VanDerWaalsContact O-N 3.11Å |
| 132 | S | 84.8 | Confident | 92.2 | Very high | 97 Ų | 97 | 75.2 Ų | 75.2 | 68% | 0.678 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 19.8 | 177.1 | -49.5 | 0 | 0 | 0 | 0 | 116.2 | G130 | G130-S132 PolarHBondContact O-N 3.01Š|
| 133 | V | 90.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 75.1 Ų | 75.1 | 15% | 0.145 | 42% | 0.423 | C | S | . | . | trans | -100.2 | 112.7 | 172.7 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | Y94 I128 G130 P131 P135 L173 | Y94-V133 HydrophobicContact CE1-CG2 4.07Å; I128-V133 HydrophobicContact CG2-CG1 4.39Å; G130-V133 PolarHBondContact O-N 3.31Å; P131-V133 PolarHBondContact O-N 2.89Å; P131-V133 VanDerWaalsContact O-N 3.11Å; V133-P135 WeakPolarHBondContact O-CD 3.41Å; V133-L173 HydrophobicContact CG1-CD1 4.48Å; V133-L173 HydrophobicContact CG2-CD1 3.99Å | ||
| 134 | E | 90.5 | Very high | 92.1 | Very high | 112 Ų | 112 | 68 Ų | 68 | 52% | 0.523 | 40% | 0.398 | S | S | . | . | trans | -61.6 | 119.5 | -179.1 | -69.5 | -62.2 | 154.8 | 0 | 0 | 112.1 | G136 S137 | E134-G136 PolarHBondContact O-N 3.19Å; E134-S137 VanDerWaalsContact O-CB 3.29Å; E134-S137 WeakPolarHBondContact O-CB 3.44Å; E134-S137 PolarHBondContact O-N 2.98Å; E134-S137 PolarHBondContact O-OG 2.94Å | ||
| 135 | P | 91.9 | Very high | 92.1 | Very high | 117 Ų | 117 | 69.4 Ų | 69.4 | 76% | 0.76 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 134.5 | -178.1 | -25.6 | 35.3 | 0 | 0 | 0 | 113.2 | V133 S137 | V133-P135 WeakPolarHBondContact O-CD 3.41Å; P135-S137 PolarHBondContact O-N 3.2Å |
| 136 | G | 89.9 | Confident | 92 | Very high | 80 Ų | 80 | 70.5 Ų | 70.5 | 83% | 0.825 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 5.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E134 | E134-G136 PolarHBondContact O-N 3.19Š|
| 137 | S | 91.1 | Very high | 92 | Very high | 64 Ų | 64 | 68 Ų | 68 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | trans | -66.4 | 146.6 | 174.6 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | E134 P135 | E134-S137 VanDerWaalsContact O-CB 3.29Å; E134-S137 WeakPolarHBondContact O-CB 3.44Å; E134-S137 PolarHBondContact O-N 2.98Å; E134-S137 PolarHBondContact O-OG 2.94Å; P135-S137 PolarHBondContact O-N 3.2Å | ||
| 138 | I | 91.1 | Very high | 92 | Very high | 154 Ų | 154 | 63.1 Ų | 63.1 | 79% | 0.79 | 38% | 0.375 | S | S | * | . | trans | -120.6 | 125.4 | 178.6 | -59.9 | 178.1 | 0 | 0 | 0 | 108.8 | P140 | I138-P140 WeakPolarHBondContact O-CD 3.24Š| ||
| 139 | V | 90 | Very high | 92.1 | Very high | 50 Ų | 50 | 64.4 Ų | 64.4 | 30% | 0.303 | 39% | 0.391 | S | S | . | . | trans | -104.3 | 105.4 | -179.8 | 178 | 0 | 0 | 0 | 0 | 108.6 | Q141 L172 L173 | V139-Q141 VanDerWaalsContact C-N 3.29Å; V139-Q141 HydrophobicContact CG1-CB 4.32Å; V139-Q141 VanDerWaalsContact CG1-OE1 3.29Å; V139-Q141 PolarHBondContact O-N 3.28Å; V139-L172 HydrophobicContact CG1-CB 3.96Å; V139-L172 HydrophobicContact CG1-CD1 3.84Å; V139-L172 HydrophobicContact CG1-CG 4.43Å; V139-L173 HydrophobicContact CG2-CD2 3.94Å | ||
| 140 | P | 88.9 | Confident | 92.1 | Very high | 107 Ų | 107 | 60.2 Ų | 60.2 | 70% | 0.695 | 38% | 0.375 | S | S | * | . | trans | -77.5 | -9.5 | -177.9 | 30.7 | -36.8 | 0 | 0 | 0 | 114.3 | I138 | I138-P140 WeakPolarHBondContact O-CD 3.24Š| ||
| 141 | Q | 90.3 | Very high | 92.2 | Very high | 66 Ų | 66 | 59.6 Ų | 59.6 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -73.1 | 145.5 | -179 | -67.2 | 80.1 | 7.3 | 0 | 0 | 112.5 | V139 V143 L172 W191 | V139-Q141 VanDerWaalsContact C-N 3.29Å; V139-Q141 HydrophobicContact CG1-CB 4.32Å; V139-Q141 VanDerWaalsContact CG1-OE1 3.29Å; V139-Q141 PolarHBondContact O-N 3.28Å; Q141-V143 PolarHBondContact O-N 3.49Å; Q141-V143 VanDerWaalsContact O-N 3.15Å; Q141-L172 HydrophobicContact CB-CD1 3.91Å; Q141-L172 HydrophobicContact CB-CD2 4.06Å; Q141-L172 HydrophobicContact CG-CD2 3.96Å; Q141-W191 HydrophobicContact CB-CB 4.37Å; Q141-W191 HydrophobicContact CB-CG 4.12Å; Q141-W191 HydrophobicContact CG-CB 4.13Å; Q141-W191 HydrophobicContact CG-CG 4.41Å |
| 142 | I | 91.6 | Very high | 92.4 | Very high | 21 Ų | 21 | 62.1 Ų | 62.1 | 11% | 0.108 | 38% | 0.379 | C | S | . | . | trans | -66.9 | 110.1 | -176.4 | -50 | 177.4 | 0 | 0 | 0 | 111.7 | L144 W191 R192 D193 F195 V566 | I142-L144 HydrophobicContact CG2-CD2 3.73Å; I142-L144 HydrophobicContact CG2-CG 4.37Å; I142-W191 PolarHBondContact O-NE1 3.1Å; I142-R192 HydrophobicContact CB-CG 4.29Å; I142-D193 WeakPolarHBondContact CD1-O 3.35Å; I142-F195 HydrophobicContact CD1-CD1 3.92Å; I142-F195 HydrophobicContact CD1-CE1 4.06Å; I142-F195 HydrophobicContact CG2-CD1 3.65Å; I142-F195 HydrophobicContact CG2-CE1 3.56Å; I142-F195 HydrophobicContact CG2-CZ 4.37Å; I142-V566 HydrophobicContact CD1-CB 3.86Å; I142-V566 HydrophobicContact CD1-CG2 4.12Å; I142-V566 HydrophobicContact CG1-CB 4.13Å; I142-V566 HydrophobicContact CG1-CG2 4.5Å | ||
| 143 | V | 93.9 | Very high | 93 | Very high | 41 Ų | 41 | 59.9 Ų | 59.9 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | trans | -99.2 | 139.5 | 168.9 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | F126 Q141 D147 V169 L172 | F126-V143 HydrophobicContact CD2-CG1 4.03Å; F126-V143 HydrophobicContact CE1-CG1 4.37Å; F126-V143 HydrophobicContact CE2-CG1 3.79Å; F126-V143 HydrophobicContact CG-CG1 4.41Å; F126-V143 HydrophobicContact CZ-CG1 3.99Å; Q141-V143 PolarHBondContact O-N 3.49Å; Q141-V143 VanDerWaalsContact O-N 3.15Å; V143-D147 HydrophobicContact CG1-CB 4.36Å; V143-V169 HydrophobicContact CG1-CG2 3.66Å; V143-V169 HydrophobicContact CG2-CG1 4.12Å; V143-V169 HydrophobicContact CG2-CG2 4.05Å; V143-L172 HydrophobicContact CG2-CD1 4.12Å | ||
| 144 | L | 94.8 | Very high | 93.1 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | trans | -121.3 | 156.8 | -178.5 | -55.2 | -178.9 | 0 | 0 | 0 | 111.6 | I142 I146 D147 F195 | I142-L144 HydrophobicContact CG2-CD2 3.73Å; I142-L144 HydrophobicContact CG2-CG 4.37Å; L144-I146 HydrophobicContact CB-CG1 3.83Å; L144-I146 HydrophobicContact CD1-CD1 4.15Å; L144-I146 HydrophobicContact CD1-CG1 4.27Å; L144-I146 PolarHBondContact O-N 2.97Å; L144-D147 PolarHBondContact N-OD2 2.95Å; L144-D147 WeakPolarHBondContact O-CB 3.21Å; L144-D147 PolarHBondContact O-N 3.36Å; L144-F195 HydrophobicContact CD1-CB 3.69Å; L144-F195 HydrophobicContact CD1-CD2 4.13Å; L144-F195 HydrophobicContact CD1-CG 4.06Å; L144-F195 HydrophobicContact CD2-CB 4.32Å; L144-F195 HydrophobicContact CD2-CD1 4.12Å; L144-F195 HydrophobicContact CD2-CD2 3.55Å; L144-F195 HydrophobicContact CD2-CE1 4.23Å; L144-F195 HydrophobicContact CD2-CE2 3.68Å; L144-F195 HydrophobicContact CD2-CG 3.76Å; L144-F195 HydrophobicContact CD2-CZ 4.01Å | ||
| 145 | N | 94.8 | Very high | 93.3 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -60.5 | -21.4 | 177.9 | -73.1 | -7.5 | 0 | 0 | 0 | 113.9 | A99 D100 D147 L148 | A99-N145 PolarHBondContact O-ND2 3.44Å; D100-N145 PolarHBondContact O-ND2 3.08Å; N145-D147 PolarHBondContact O-N 3.36Å; N145-L148 HydrophobicContact CB-CD1 4.5Å |
| 146 | I | 94.1 | Very high | 93.4 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -71.4 | -15.4 | 172.3 | 61.6 | 171.3 | 0 | 0 | 0 | 113.7 | L144 P150 D165 | L144-I146 HydrophobicContact CB-CG1 3.83Å; L144-I146 HydrophobicContact CD1-CD1 4.15Å; L144-I146 HydrophobicContact CD1-CG1 4.27Å; L144-I146 PolarHBondContact O-N 2.97Å; I146-P150 WeakPolarHBondContact O-CD 3.27Å; I146-D165 HydrophobicContact CD1-CB 4.09Å |
| 147 | D | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -84.6 | -17.7 | -178.6 | -60.3 | -35.2 | 0 | 0 | 0 | 112.9 | V143 L144 N145 A149 P150 T151 G166 K167 V169 R192 | V143-D147 HydrophobicContact CG1-CB 4.36Å; L144-D147 PolarHBondContact N-OD2 2.95Å; L144-D147 WeakPolarHBondContact O-CB 3.21Å; L144-D147 PolarHBondContact O-N 3.36Å; N145-D147 PolarHBondContact O-N 3.36Å; D147-A149 PolarHBondContact O-N 2.9Å; D147-P150 VanDerWaalsContact O-CD 3.28Å; D147-P150 WeakPolarHBondContact O-CD 3.23Å; D147-P150 WeakPolarHBondContact O-CG 3.28Å; D147-T151 VanDerWaalsContact O-CB 3.31Å; D147-T151 WeakPolarHBondContact O-CB 3.37Å; D147-T151 PolarHBondContact O-N 3.31Å; D147-T151 PolarHBondContact O-OG1 3.47Å; D147-G166 WeakPolarHBondContact OD1-CA 3.49Å; D147-K167 VanDerWaalsContact CB-O 3.28Å; D147-K167 WeakPolarHBondContact CB-O 3.41Å; D147-K167 PolarHBondContact OD1-N 3.36Å; D147-V169 HydrophobicContact CB-CG2 3.92Å; D147-R192 IonicContact OD1-CZ 3.21Å; D147-R192 VanDerWaalsContact OD1-CZ 3.27Å; D147-R192 IonicContact OD1-NH1 3.14Å; D147-R192 PolarHBondContact OD1-NH1 2.96Å; D147-R192 IonicContact OD1-NH2 2.89Å; D147-R192 PolarHBondContact OD1-NH2 2.91Å; D147-R192 IonicContact OD2-CZ 2.86Å; D147-R192 IonicContact OD2-NH1 2.94Å; D147-R192 PolarHBondContact OD2-NH1 3.4Å; D147-R192 VanDerWaalsContact OD2-NH1 3.14Å; D147-R192 IonicContact OD2-NH2 3.27Å; D147-R192 PolarHBondContact OD2-NH2 2.89Å |
| 148 | L | 95.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 177.9 | -72.2 | 163.3 | 0 | 0 | 0 | 111.8 | I96 T98 F126 N145 T151 I152 | I96-L148 HydrophobicContact CG2-CD2 3.81Å; T98-L148 HydrophobicContact CG2-CD1 4.03Å; T98-L148 HydrophobicContact CG2-CD2 4.45Å; F126-L148 HydrophobicContact CE2-CD2 3.71Å; F126-L148 HydrophobicContact CE2-CG 4.4Å; F126-L148 HydrophobicContact CZ-CD2 4.35Å; N145-L148 HydrophobicContact CB-CD1 4.5Å; L148-T151 PolarHBondContact O-N 3Å; L148-I152 WeakPolarHBondContact O-CD1 3.38Å; L148-I152 VanDerWaalsContact O-CG1 3.27Å; L148-I152 WeakPolarHBondContact O-CG1 3.5Å; L148-I152 PolarHBondContact O-N 3.24Å |
| 149 | A | 95.3 | Very high | 93.9 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.3 | -53 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D147 T151 I152 L153 | D147-A149 PolarHBondContact O-N 2.9Å; A149-T151 VanDerWaalsContact C-N 3.31Å; A149-T151 PolarHBondContact O-N 3.24Å; A149-I152 PolarHBondContact O-N 3.47Å; A149-L153 WeakPolarHBondContact O-CG 3.1Å; A149-L153 PolarHBondContact O-N 3.04Å; A149-L153 VanDerWaalsContact O-N 3.11Å |
| 150 | P | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67 | -28.9 | 176 | 26.1 | -34.1 | 0 | 0 | 0 | 113.1 | I146 D147 L153 D154 T160 V164 | I146-P150 WeakPolarHBondContact O-CD 3.27Å; D147-P150 VanDerWaalsContact O-CD 3.28Å; D147-P150 WeakPolarHBondContact O-CD 3.23Å; D147-P150 WeakPolarHBondContact O-CG 3.28Å; P150-L153 PolarHBondContact O-N 2.74Å; P150-D154 WeakPolarHBondContact O-CB 3.39Å; P150-D154 PolarHBondContact O-N 3.26Å; P150-T160 HydrophobicContact CB-CG2 3.65Å; P150-T160 VanDerWaalsContact CB-OG1 3.31Å; P150-T160 WeakPolarHBondContact CB-OG1 3.2Å; P150-V164 HydrophobicContact CB-CG1 4.42Å; P150-V164 HydrophobicContact CG-CG1 4.18Å |
| 151 | T | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 173.1 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | D147 L148 A149 L153 D154 I155 S168 V169 L170 | D147-T151 VanDerWaalsContact O-CB 3.31Å; D147-T151 WeakPolarHBondContact O-CB 3.37Å; D147-T151 PolarHBondContact O-N 3.31Å; D147-T151 PolarHBondContact O-OG1 3.47Å; L148-T151 PolarHBondContact O-N 3Å; A149-T151 VanDerWaalsContact C-N 3.31Å; A149-T151 PolarHBondContact O-N 3.24Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 3.15Å; T151-D154 PolarHBondContact O-N 2.9Å; T151-I155 HydrophobicContact CG2-CD1 4.12Å; T151-I155 VanDerWaalsContact O-CG1 3.29Å; T151-I155 WeakPolarHBondContact O-CG1 3.42Å; T151-I155 PolarHBondContact O-N 2.7Å; T151-S168 WeakPolarHBondContact OG1-CA 3.02Å; T151-V169 HydrophobicContact CG2-CB 4.17Å; T151-V169 WeakPolarHBondContact OG1-CG2 3.46Å; T151-V169 PolarHBondContact OG1-N 2.91Å; T151-L170 HydrophobicContact CG2-CD2 4.13Å; T151-L170 HydrophobicContact CG2-CG 4.17Å |
| 152 | I | 95.7 | Very high | 94.2 | Very high | 97 Ų | 97 | 56 Ų | 56 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.5 | -32.7 | 177.5 | -68.2 | 163.4 | 0 | 0 | 0 | 111.5 | L148 A149 A156 | L148-I152 WeakPolarHBondContact O-CD1 3.38Å; L148-I152 VanDerWaalsContact O-CG1 3.27Å; L148-I152 WeakPolarHBondContact O-CG1 3.5Å; L148-I152 PolarHBondContact O-N 3.24Å; A149-I152 PolarHBondContact O-N 3.47Å; I152-A156 WeakPolarHBondContact O-CB 3.45Å; I152-A156 PolarHBondContact O-N 3.06Å; I152-A156 VanDerWaalsContact O-N 3.14Å |
| 153 | L | 95.8 | Very high | 94.2 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 171.8 | -68.8 | 174.3 | 0 | 0 | 0 | 112 | A149 P150 T151 I155 A156 G157 L158 | A149-L153 WeakPolarHBondContact O-CG 3.1Å; A149-L153 PolarHBondContact O-N 3.04Å; A149-L153 VanDerWaalsContact O-N 3.11Å; P150-L153 PolarHBondContact O-N 2.74Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 3.15Å; L153-I155 PolarHBondContact O-N 2.89Å; L153-A156 CarbonylContact O-C 3.45Å; L153-A156 WeakPolarHBondContact O-CA 3.43Å; L153-A156 PolarHBondContact O-N 2.99Å; L153-G157 PolarHBondContact O-N 3.21Å; L153-G157 VanDerWaalsContact O-N 3.16Å; L153-L158 CarbonylContact C-O 3.42Å; L153-L158 HydrophobicContact CB-CB 4.28Å; L153-L158 HydrophobicContact CD2-CB 4.12Å; L153-L158 HydrophobicContact CD2-CD1 3.99Å; L153-L158 PolarHBondContact O-N 3.12Å |
| 154 | D | 93.9 | Very high | 94.1 | Very high | 52 Ų | 52 | 59.4 Ų | 59.4 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 177.6 | -143.7 | 17.5 | 0 | 0 | 0 | 110.8 | P150 T151 A156 G157 S168 L170 K171 | P150-D154 WeakPolarHBondContact O-CB 3.39Å; P150-D154 PolarHBondContact O-N 3.26Å; T151-D154 PolarHBondContact O-N 2.9Å; D154-A156 VanDerWaalsContact C-N 3.26Å; D154-A156 PolarHBondContact O-N 2.83Å; D154-G157 PolarHBondContact O-N 3.41Å; D154-S168 VanDerWaalsContact CB-OG 3.28Å; D154-S168 WeakPolarHBondContact CB-OG 3.29Å; D154-S168 WeakPolarHBondContact OD2-CB 3.23Å; D154-S168 PolarHBondContact OD2-OG 3.43Å; D154-L170 HydrophobicContact CB-CD1 3.96Å; D154-L170 HydrophobicContact CB-CG 4.49Å; D154-K171 WeakPolarHBondContact OD2-CE 3.42Å; D154-K171 IonicContact OD2-NZ 3.76Å |
| 155 | I | 94.2 | Very high | 94.1 | Very high | 57 Ų | 57 | 61 Ų | 61 | 29% | 0.292 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.1 | -37.1 | 171.8 | -69.9 | 167.8 | 0 | 0 | 0 | 111.7 | Y94 T151 L153 G157 L170 | Y94-I155 HydrophobicContact CD1-CD1 4.02Å; Y94-I155 HydrophobicContact CD2-CB 4.48Å; Y94-I155 HydrophobicContact CD2-CD1 4.04Å; Y94-I155 HydrophobicContact CD2-CG1 4.12Å; Y94-I155 HydrophobicContact CD2-CG2 3.52Å; Y94-I155 HydrophobicContact CE1-CD1 4.41Å; Y94-I155 HydrophobicContact CE1-CG1 4.49Å; Y94-I155 HydrophobicContact CE2-CB 4.48Å; Y94-I155 HydrophobicContact CE2-CD1 4.43Å; Y94-I155 HydrophobicContact CE2-CG1 4.07Å; Y94-I155 HydrophobicContact CE2-CG2 3.74Å; Y94-I155 HydrophobicContact CG-CD1 3.8Å; Y94-I155 HydrophobicContact CG-CG1 4.34Å; Y94-I155 HydrophobicContact CG-CG2 4.32Å; T151-I155 HydrophobicContact CG2-CD1 4.12Å; T151-I155 VanDerWaalsContact O-CG1 3.29Å; T151-I155 WeakPolarHBondContact O-CG1 3.42Å; T151-I155 PolarHBondContact O-N 2.7Å; L153-I155 PolarHBondContact O-N 2.89Å; I155-G157 VanDerWaalsContact C-N 3.27Å; I155-G157 PolarHBondContact O-N 2.98Å; I155-L170 HydrophobicContact CD1-CD2 4.34Å; I155-L170 HydrophobicContact CG1-CD1 3.89Å; I155-L170 HydrophobicContact CG1-CD2 3.97Å; I155-L170 HydrophobicContact CG1-CG 4.27Å |
| 156 | A | 94.8 | Very high | 93.9 | Very high | 67 Ų | 67 | 57.9 Ų | 57.9 | 55% | 0.554 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I152 L153 D154 L158 | I152-A156 WeakPolarHBondContact O-CB 3.45Å; I152-A156 PolarHBondContact O-N 3.06Å; I152-A156 VanDerWaalsContact O-N 3.14Å; L153-A156 CarbonylContact O-C 3.45Å; L153-A156 WeakPolarHBondContact O-CA 3.43Å; L153-A156 PolarHBondContact O-N 2.99Å; D154-A156 VanDerWaalsContact C-N 3.26Å; D154-A156 PolarHBondContact O-N 2.83Å; A156-L158 VanDerWaalsContact C-N 3.32Å; A156-L158 HydrophobicContact CB-CD1 4.17Å; A156-L158 HydrophobicContact CB-CG 4.18Å |
| 157 | G | 94.3 | Very high | 93.8 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 71% | 0.711 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 26.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L153 D154 I155 | L153-G157 PolarHBondContact O-N 3.21Å; L153-G157 VanDerWaalsContact O-N 3.16Å; D154-G157 PolarHBondContact O-N 3.41Å; I155-G157 VanDerWaalsContact C-N 3.27Å; I155-G157 PolarHBondContact O-N 2.98Å |
| 158 | L | 95.8 | Very high | 93.7 | Very high | 98 Ų | 98 | 56.3 Ų | 56.3 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | trans | -111.2 | 135.4 | -176.8 | -61.9 | 177.8 | 0 | 0 | 0 | 111.9 | L153 A156 T160 | L153-L158 CarbonylContact C-O 3.42Å; L153-L158 HydrophobicContact CB-CB 4.28Å; L153-L158 HydrophobicContact CD2-CB 4.12Å; L153-L158 HydrophobicContact CD2-CD1 3.99Å; L153-L158 PolarHBondContact O-N 3.12Å; A156-L158 VanDerWaalsContact C-N 3.32Å; A156-L158 HydrophobicContact CB-CD1 4.17Å; A156-L158 HydrophobicContact CB-CG 4.18Å; L158-T160 PolarHBondContact O-N 2.89Å | ||
| 159 | D | 92.4 | Very high | 93.6 | Very high | 163 Ų | 163 | 54.7 Ų | 54.7 | 87% | 0.872 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 134.3 | 174.2 | -82.1 | -54.5 | 0 | 0 | 0 | 112.3 | P161 | D159-P161 WeakPolarHBondContact O-CD 3.33Š|
| 160 | T | 92.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -70 | 124.2 | 171.1 | -67.7 | 0 | 0 | 0 | 0 | 110.4 | P150 L158 V164 Y622 | P150-T160 HydrophobicContact CB-CG2 3.65Å; P150-T160 VanDerWaalsContact CB-OG1 3.31Å; P150-T160 WeakPolarHBondContact CB-OG1 3.2Å; L158-T160 PolarHBondContact O-N 2.89Å; T160-V164 HydrophobicContact CG2-CB 4.09Å; T160-V164 HydrophobicContact CG2-CG1 4.25Å; T160-Y622 HydrophobicContact CG2-CD1 4.32Å; T160-Y622 HydrophobicContact CG2-CE1 4.45Å |
| 161 | P | 93.2 | Very high | 92.8 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 34% | 0.338 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 140.9 | 175.8 | -25.6 | 34.3 | 0 | 0 | 0 | 112.5 | D159 D163 V164 | D159-P161 WeakPolarHBondContact O-CD 3.33Å; P161-D163 VanDerWaalsContact CB-OD1 3.23Å; P161-D163 WeakPolarHBondContact CB-OD1 3.2Å; P161-D163 PolarHBondContact O-N 3.08Å; P161-D163 VanDerWaalsContact O-N 3.16Å; P161-V164 HydrophobicContact CB-CG2 4.13Å; P161-V164 HydrophobicContact CG-CG2 4.34Å; P161-V164 PolarHBondContact O-N 3.18Å; P161-V164 VanDerWaalsContact O-N 3.13Å |
| 162 | P | 89.8 | Confident | 92.5 | Very high | 101 Ų | 101 | 59.5 Ų | 59.5 | 66% | 0.656 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.6 | -171 | 29.7 | -36.7 | 0 | 0 | 0 | 114.1 | G621 | P162-G621 VanDerWaalsContact O-CA 3.3Å; P162-G621 WeakPolarHBondContact O-CA 3.34Å |
| 163 | D | 91 | Very high | 92 | Very high | 95 Ų | 95 | 55.9 Ų | 55.9 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -4.7 | 176.9 | 61.4 | -45.2 | 0 | 0 | 0 | 113.9 | P161 | P161-D163 VanDerWaalsContact CB-OD1 3.23Å; P161-D163 WeakPolarHBondContact CB-OD1 3.2Å; P161-D163 PolarHBondContact O-N 3.08Å; P161-D163 VanDerWaalsContact O-N 3.16Å |
| 164 | V | 92.9 | Very high | 91 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | trans | -77.7 | 127.4 | 171 | 171.3 | 0 | 0 | 0 | 0 | 109.6 | P150 T160 P161 G621 Y622 | P150-V164 HydrophobicContact CB-CG1 4.42Å; P150-V164 HydrophobicContact CG-CG1 4.18Å; T160-V164 HydrophobicContact CG2-CB 4.09Å; T160-V164 HydrophobicContact CG2-CG1 4.25Å; P161-V164 HydrophobicContact CB-CG2 4.13Å; P161-V164 HydrophobicContact CG-CG2 4.34Å; P161-V164 PolarHBondContact O-N 3.18Å; P161-V164 VanDerWaalsContact O-N 3.13Å; V164-G621 CarbonylContact O-C 3.59Å; V164-Y622 WeakPolarHBondContact O-CB 3.33Å; V164-Y622 PolarHBondContact O-N 3.36Å | ||
| 165 | D | 93 | Very high | 89.5 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 34% | 0.337 | 35% | 0.348 | S | S | . | . | trans | -77.7 | -22.5 | -176.3 | -54.8 | -47.5 | 0 | 0 | 0 | 113.8 | I146 G621 Y622 C625 N626 | I146-D165 HydrophobicContact CD1-CB 4.09Å; D165-G621 WeakPolarHBondContact OD1-CA 3.34Å; D165-G621 PolarHBondContact OD1-N 3.15Å; D165-Y622 WeakPolarHBondContact O-CA 3.28Å; D165-C625 HydrophobicContact CB-CB 4.04Å; D165-C625 PolarHBondContact OD1-SG 3.14Å; D165-N626 PolarHBondContact O-ND2 3.15Å | ||
| 166 | G | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -80.9 | 167 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D147 Y622 | D147-G166 WeakPolarHBondContact OD1-CA 3.49Å; G166-Y622 VanDerWaalsContact O-CB 3.26Å; G166-Y622 WeakPolarHBondContact O-CB 3.43Å | ||
| 167 | K | 91.3 | Very high | 85.7 | Confident | 46 Ų | 46 | 68 Ų | 68 | 20% | 0.2 | 37% | 0.374 | C | S | . | . | trans | -125.3 | 141.6 | 175.3 | -67 | 175.4 | 173.9 | 169.5 | 0 | 110.4 | D147 V169 W191 Y622 N626 | D147-K167 VanDerWaalsContact CB-O 3.28Å; D147-K167 WeakPolarHBondContact CB-O 3.41Å; D147-K167 PolarHBondContact OD1-N 3.36Å; K167-V169 PolarHBondContact O-N 3.13Å; K167-W191 HydrophobicContact CB-CH2 3.62Å; K167-W191 HydrophobicContact CB-CZ2 4.34Å; K167-W191 HydrophobicContact CB-CZ3 3.9Å; K167-W191 HydrophobicContact CD-CZ3 4.34Å; K167-Y622 WeakPolarHBondContact CE-O 3.28Å; K167-Y622 HydrophobicContact CG-CD2 4.28Å; K167-Y622 HydrophobicContact CG-CG 4.37Å; K167-N626 HydrophobicContact CD-CB 4.13Å; K167-N626 PolarHBondContact NZ-O 3.3Å | ||
| 168 | S | 93.1 | Very high | 83.3 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 3% | 0.028 | 38% | 0.38 | C | S | . | . | trans | -57.5 | 130.2 | 173.5 | 170.5 | 0 | 0 | 0 | 0 | 112.4 | T151 D154 L170 W191 | T151-S168 WeakPolarHBondContact OG1-CA 3.02Å; D154-S168 VanDerWaalsContact CB-OG 3.28Å; D154-S168 WeakPolarHBondContact CB-OG 3.29Å; D154-S168 WeakPolarHBondContact OD2-CB 3.23Å; D154-S168 PolarHBondContact OD2-OG 3.43Å; S168-L170 VanDerWaalsContact C-N 3.34Å; S168-L170 PolarHBondContact OG-N 2.84Å; S168-W191 WeakPolarHBondContact O-CH2 3.06Å | ||
| 169 | V | 92.9 | Very high | 81.1 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -20.2 | 179.7 | 178.9 | 0 | 0 | 0 | 0 | 112.1 | V143 D147 T151 K167 K171 L172 L173 | V143-V169 HydrophobicContact CG1-CG2 3.66Å; V143-V169 HydrophobicContact CG2-CG1 4.12Å; V143-V169 HydrophobicContact CG2-CG2 4.05Å; D147-V169 HydrophobicContact CB-CG2 3.92Å; T151-V169 HydrophobicContact CG2-CB 4.17Å; T151-V169 WeakPolarHBondContact OG1-CG2 3.46Å; T151-V169 PolarHBondContact OG1-N 2.91Å; K167-V169 PolarHBondContact O-N 3.13Å; V169-K171 PolarHBondContact O-N 3.46Å; V169-L172 HydrophobicContact CG1-CD1 4.44Å; V169-L172 WeakPolarHBondContact O-CA 3.49Å; V169-L172 WeakPolarHBondContact O-CB 3.2Å; V169-L172 PolarHBondContact O-N 2.99Å; V169-L173 HydrophobicContact CG1-CG 4.5Å; V169-L173 PolarHBondContact O-N 2.92Å |
| 170 | L | 89.5 | Confident | 78.9 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -52.9 | -33.7 | -179.4 | -62.5 | -170.2 | 0 | 0 | 0 | 112.6 | Y94 T151 D154 I155 S168 L172 L173 D174 | Y94-L170 HydrophobicContact CE1-CD2 4.29Å; T151-L170 HydrophobicContact CG2-CD2 4.13Å; T151-L170 HydrophobicContact CG2-CG 4.17Å; D154-L170 HydrophobicContact CB-CD1 3.96Å; D154-L170 HydrophobicContact CB-CG 4.49Å; I155-L170 HydrophobicContact CD1-CD2 4.34Å; I155-L170 HydrophobicContact CG1-CD1 3.89Å; I155-L170 HydrophobicContact CG1-CD2 3.97Å; I155-L170 HydrophobicContact CG1-CG 4.27Å; S168-L170 VanDerWaalsContact C-N 3.34Å; S168-L170 PolarHBondContact OG-N 2.84Å; L170-L172 PolarHBondContact O-N 3.2Å; L170-L173 HydrophobicContact CD2-CD1 4.21Å; L170-L173 CarbonylContact O-C 3.48Å; L170-L173 WeakPolarHBondContact O-CA 3.34Å; L170-L173 WeakPolarHBondContact O-CB 3.44Å; L170-L173 PolarHBondContact O-N 2.77Å; L170-D174 PolarHBondContact O-N 3.31Å |
| 171 | K | 85.4 | Confident | 77.2 | Confident | 117 Ų | 117 | 77.9 Ų | 77.9 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.4 | -23.6 | 179.3 | -67.1 | 162.5 | -169 | 171.9 | 0 | 113 | D154 V169 D174 K189 | D154-K171 WeakPolarHBondContact OD2-CE 3.42Å; D154-K171 IonicContact OD2-NZ 3.76Å; V169-K171 PolarHBondContact O-N 3.46Å; K171-D174 WeakPolarHBondContact CA-OD2 3.43Å; K171-K189 WeakPolarHBondContact O-CD 3.5Å; K171-K189 PolarHBondContact O-NZ 3.15Å |
| 172 | L | 87.5 | Confident | 75.5 | Confident | 13 Ų | 13 | 84.8 Ų | 84.8 | 7% | 0.068 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -79.1 | -30.6 | 169.2 | -63 | 177.1 | 0 | 0 | 0 | 112.2 | V139 Q141 V143 V169 L170 K189 W191 | V139-L172 HydrophobicContact CG1-CB 3.96Å; V139-L172 HydrophobicContact CG1-CD1 3.84Å; V139-L172 HydrophobicContact CG1-CG 4.43Å; Q141-L172 HydrophobicContact CB-CD1 3.91Å; Q141-L172 HydrophobicContact CB-CD2 4.06Å; Q141-L172 HydrophobicContact CG-CD2 3.96Å; V143-L172 HydrophobicContact CG2-CD1 4.12Å; V169-L172 HydrophobicContact CG1-CD1 4.44Å; V169-L172 WeakPolarHBondContact O-CA 3.49Å; V169-L172 WeakPolarHBondContact O-CB 3.2Å; V169-L172 PolarHBondContact O-N 2.99Å; L170-L172 PolarHBondContact O-N 3.2Å; L172-K189 HydrophobicContact CD2-CB 4.46Å; L172-K189 HydrophobicContact CD2-CD 4.48Å; L172-K189 PolarHBondContact O-NZ 3Å; L172-W191 HydrophobicContact CD1-CD2 3.88Å; L172-W191 HydrophobicContact CD1-CE3 4.25Å; L172-W191 HydrophobicContact CD1-CG 4.35Å; L172-W191 HydrophobicContact CD1-CH2 4.13Å; L172-W191 HydrophobicContact CD1-CZ2 3.75Å; L172-W191 HydrophobicContact CD1-CZ3 4.37Å; L172-W191 HydrophobicContact CD2-CB 4.17Å; L172-W191 HydrophobicContact CD2-CD2 3.83Å; L172-W191 HydrophobicContact CD2-CE3 3.83Å; L172-W191 HydrophobicContact CD2-CG 4Å; L172-W191 HydrophobicContact CD2-CZ3 4.44Å; L172-W191 HydrophobicContact CG-CD2 4.05Å; L172-W191 HydrophobicContact CG-CE3 3.96Å; L172-W191 HydrophobicContact CG-CH2 4.28Å; L172-W191 HydrophobicContact CG-CZ2 4.35Å; L172-W191 HydrophobicContact CG-CZ3 4.09Å |
| 173 | L | 85.4 | Confident | 73.6 | Confident | 22 Ų | 22 | 90.6 Ų | 90.6 | 12% | 0.115 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -81.3 | -29.2 | -179.4 | -51.6 | 178.1 | 0 | 0 | 0 | 113.4 | I128 V133 V139 V169 L170 P175 | I128-L173 HydrophobicContact CD1-CD1 4Å; I128-L173 HydrophobicContact CG2-CD1 3.94Å; I128-L173 HydrophobicContact CG2-CD2 4.27Å; V133-L173 HydrophobicContact CG1-CD1 4.48Å; V133-L173 HydrophobicContact CG2-CD1 3.99Å; V139-L173 HydrophobicContact CG2-CD2 3.94Å; V169-L173 HydrophobicContact CG1-CG 4.5Å; V169-L173 PolarHBondContact O-N 2.92Å; L170-L173 HydrophobicContact CD2-CD1 4.21Å; L170-L173 CarbonylContact O-C 3.48Å; L170-L173 WeakPolarHBondContact O-CA 3.34Å; L170-L173 WeakPolarHBondContact O-CB 3.44Å; L170-L173 PolarHBondContact O-N 2.77Å; L173-P175 VanDerWaalsContact O-N 3.15Å |
| 174 | D | 74.8 | Confident | 71.6 | Confident | 96 Ų | 96 | 92.2 Ų | 92.2 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -40.7 | 117.8 | 176.8 | -84.1 | -40 | 0 | 0 | 0 | 111.7 | L170 K171 E176 K189 | L170-D174 PolarHBondContact O-N 3.31Å; K171-D174 WeakPolarHBondContact CA-OD2 3.43Å; D174-E176 PolarHBondContact O-N 2.9Å; D174-K189 PolarHBondContact O-NZ 3.09Å |
| 175 | P | 63.5 | Low | 69.4 | Low | 75 Ų | 75 | 97 Ų | 97 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | trans | -60.5 | 136.8 | 178.5 | 23.1 | -32.6 | 0 | 0 | 0 | 110.2 | L173 K177 | L173-P175 VanDerWaalsContact O-N 3.15Å; P175-K177 PolarHBondContact O-N 2.79Å | ||
| 176 | E | 57.8 | Low | 67.6 | Low | 116 Ų | 116 | 102.4 Ų | 102.4 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | trans | -62.7 | 103.3 | 178 | -73.3 | -159.4 | 157 | 0 | 0 | 109.5 | D174 P178 | D174-E176 PolarHBondContact O-N 2.9Å; E176-P178 VanDerWaalsContact O-N 3.14Å | ||
| 177 | K | 50.4 | Low | 65.8 | Low | 194 Ų | 194 | 110.5 Ų | 110.5 | 84% | 0.843 | 54% | 0.54 | S | S | * | . | trans | -52 | 122.8 | 172.1 | -70.4 | -174.4 | 178.3 | -179.4 | 0 | 108.1 | P175 G179 | P175-K177 PolarHBondContact O-N 2.79Å; K177-G179 VanDerWaalsContact C-N 3.34Å; K177-G179 PolarHBondContact O-N 3.07Å | ||
| 178 | P | 43.7 | Very low | 64.4 | Low | 128 Ų | 128 | 110.8 Ų | 110.8 | 83% | 0.831 | 55% | 0.551 | S | S | * | * | trans | -67.8 | 92.5 | -172.3 | 25.6 | -34.3 | 0 | 0 | 0 | 110.4 | E176 | E176-P178 VanDerWaalsContact O-N 3.14Š| ||
| 179 | G | 49.7 | Very low | 63.3 | Low | 62 Ų | 62 | 113.6 Ų | 113.6 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | trans | -58.8 | 143.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | K177 R181 | K177-G179 VanDerWaalsContact C-N 3.34Å; K177-G179 PolarHBondContact O-N 3.07Å; G179-R181 PolarHBondContact O-N 2.9Å | ||
| 180 | N | 47.2 | Very low | 62.5 | Low | 134 Ų | 134 | 117.8 Ų | 117.8 | 72% | 0.717 | 58% | 0.584 | S | S | * | * | trans | -40.1 | 128 | -175.1 | -64 | -6.7 | 0 | 0 | 0 | 112.1 | F182 R183 | N180-F182 PolarHBondContact O-N 3.49Å; N180-R183 PolarHBondContact O-N 3.33Å | ||
| 181 | R | 55.7 | Low | 62.4 | Low | 244 Ų | 244 | 117.2 Ų | 117.2 | 92% | 0.921 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -10.8 | -173.3 | -67.8 | -179.7 | 176.2 | 170.2 | -1.8 | 115.9 | G179 | G179-R181 PolarHBondContact O-N 2.9Š|
| 182 | F | 58.1 | Low | 62.6 | Low | 197 Ų | 197 | 112 Ų | 112 | 86% | 0.864 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 8 | 176.6 | -55.1 | -75.4 | 0 | 0 | 0 | 114.6 | N180 | N180-F182 PolarHBondContact O-N 3.49Š|
| 183 | R | 49.8 | Very low | 62.7 | Low | 223 Ų | 223 | 112.4 Ų | 112.4 | 84% | 0.842 | 56% | 0.559 | S | S | * | * | trans | -123.6 | 92.9 | 170.5 | -72 | -172.4 | 175.1 | -178.5 | -0.9 | 110.8 | N180 N185 | N180-R183 PolarHBondContact O-N 3.33Å; R183-N185 PolarHBondContact O-N 3.11Å | ||
| 184 | T | 50 | Low | 63.1 | Low | 129 Ų | 129 | 111.6 Ų | 111.6 | 79% | 0.791 | 56% | 0.555 | S | S | * | * | trans | -65.4 | -21.3 | 177.6 | 44.5 | 0 | 0 | 0 | 0 | 114.2 | K186 | T184-K186 PolarHBondContact O-N 3.01Š| ||
| 185 | N | 46.8 | Very low | 64 | Low | 141 Ų | 141 | 108.6 Ų | 108.6 | 75% | 0.754 | 54% | 0.538 | S | S | * | . | trans | -74 | 87.5 | 179.5 | -68.2 | 0.7 | 0 | 0 | 0 | 111.2 | R183 K187 | R183-N185 PolarHBondContact O-N 3.11Å; N185-K187 PolarHBondContact O-N 2.91Å | ||
| 186 | K | 55.3 | Low | 65.5 | Low | 176 Ų | 176 | 107.4 Ų | 107.4 | 77% | 0.765 | 53% | 0.527 | S | S | * | . | trans | -50 | 122 | 163 | -66.5 | -173.9 | 177.1 | -172.4 | 0 | 109.1 | T184 A188 | T184-K186 PolarHBondContact O-N 3.01Å; K186-A188 PolarHBondContact O-N 3.41Å | ||
| 187 | K | 54.1 | Low | 67.2 | Low | 170 Ų | 170 | 102.8 Ų | 102.8 | 74% | 0.739 | 51% | 0.507 | S | S | * | . | trans | -84.4 | 97.3 | 172.8 | -76.5 | -165.1 | 173 | -166.9 | 0 | 108.7 | N185 K189 | N185-K187 PolarHBondContact O-N 2.91Å; K187-K189 PolarHBondContact O-N 3.16Å | ||
| 188 | A | 61.3 | Low | 69.2 | Low | 51 Ų | 51 | 97.3 Ų | 97.3 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | trans | -47.6 | 130.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K186 I190 | K186-A188 PolarHBondContact O-N 3.41Å; A188-I190 PolarHBondContact O-N 2.85Å; A188-I190 VanDerWaalsContact O-N 3.11Å | ||
| 189 | K | 69.9 | Low | 71.4 | Confident | 63 Ų | 63 | 94.2 Ų | 94.2 | 27% | 0.274 | 46% | 0.456 | S | S | . | . | trans | -60.7 | 115.1 | -179.7 | -66.2 | -172.9 | 174.8 | -167 | 0 | 109.6 | K171 L172 D174 K187 W191 | K171-K189 WeakPolarHBondContact O-CD 3.5Å; K171-K189 PolarHBondContact O-NZ 3.15Å; L172-K189 HydrophobicContact CD2-CB 4.46Å; L172-K189 HydrophobicContact CD2-CD 4.48Å; L172-K189 PolarHBondContact O-NZ 3Å; D174-K189 PolarHBondContact O-NZ 3.09Å; K187-K189 PolarHBondContact O-N 3.16Å; K189-W191 PolarHBondContact O-N 3.27Å | ||
| 190 | I | 76.4 | Confident | 72.9 | Confident | 92 Ų | 92 | 93.6 Ų | 93.6 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | trans | -69 | 100.1 | -175.9 | -56.8 | 176.2 | 0 | 0 | 0 | 109.6 | A188 R628 | A188-I190 PolarHBondContact O-N 2.85Å; A188-I190 VanDerWaalsContact O-N 3.11Å; I190-R628 HydrophobicContact CG2-CB 4.45Å; I190-R628 HydrophobicContact CG2-CG 4.1Å | ||
| 191 | W | 87.4 | Confident | 73.6 | Confident | 18 Ų | 18 | 95.2 Ų | 95.2 | 7% | 0.068 | 45% | 0.45 | C | S | . | . | trans | -120.3 | -179.3 | 178.3 | -162.1 | -106.7 | 0 | 0 | 0 | 111.4 | Q141 I142 K167 S168 L172 K189 P629 | Q141-W191 HydrophobicContact CB-CB 4.37Å; Q141-W191 HydrophobicContact CB-CG 4.12Å; Q141-W191 HydrophobicContact CG-CB 4.13Å; Q141-W191 HydrophobicContact CG-CG 4.41Å; I142-W191 PolarHBondContact O-NE1 3.1Å; K167-W191 HydrophobicContact CB-CH2 3.62Å; K167-W191 HydrophobicContact CB-CZ2 4.34Å; K167-W191 HydrophobicContact CB-CZ3 3.9Å; K167-W191 HydrophobicContact CD-CZ3 4.34Å; S168-W191 WeakPolarHBondContact O-CH2 3.06Å; L172-W191 HydrophobicContact CD1-CD2 3.88Å; L172-W191 HydrophobicContact CD1-CE3 4.25Å; L172-W191 HydrophobicContact CD1-CG 4.35Å; L172-W191 HydrophobicContact CD1-CH2 4.13Å; L172-W191 HydrophobicContact CD1-CZ2 3.75Å; L172-W191 HydrophobicContact CD1-CZ3 4.37Å; L172-W191 HydrophobicContact CD2-CB 4.17Å; L172-W191 HydrophobicContact CD2-CD2 3.83Å; L172-W191 HydrophobicContact CD2-CE3 3.83Å; L172-W191 HydrophobicContact CD2-CG 4Å; L172-W191 HydrophobicContact CD2-CZ3 4.44Å; L172-W191 HydrophobicContact CG-CD2 4.05Å; L172-W191 HydrophobicContact CG-CE3 3.96Å; L172-W191 HydrophobicContact CG-CH2 4.28Å; L172-W191 HydrophobicContact CG-CZ2 4.35Å; L172-W191 HydrophobicContact CG-CZ3 4.09Å; K189-W191 PolarHBondContact O-N 3.27Å; W191-P629 VanDerWaalsContact O-CD 3.25Å; W191-P629 WeakPolarHBondContact O-CD 3.24Å; W191-P629 WeakPolarHBondContact O-CG 3.29Å | ||
| 192 | R | 89.4 | Confident | 73.5 | Confident | 7 Ų | 7 | 91.4 Ų | 91.4 | 3% | 0.026 | 44% | 0.441 | C | S | . | . | trans | -75.3 | 136.9 | 172.8 | 87.5 | -156.7 | 77.8 | -177.1 | 2.3 | 110 | I142 D147 N626 | I142-R192 HydrophobicContact CB-CG 4.29Å; D147-R192 IonicContact OD1-CZ 3.21Å; D147-R192 VanDerWaalsContact OD1-CZ 3.27Å; D147-R192 IonicContact OD1-NH1 3.14Å; D147-R192 PolarHBondContact OD1-NH1 2.96Å; D147-R192 IonicContact OD1-NH2 2.89Å; D147-R192 PolarHBondContact OD1-NH2 2.91Å; D147-R192 IonicContact OD2-CZ 2.86Å; D147-R192 IonicContact OD2-NH1 2.94Å; D147-R192 PolarHBondContact OD2-NH1 3.4Å; D147-R192 VanDerWaalsContact OD2-NH1 3.14Å; D147-R192 IonicContact OD2-NH2 3.27Å; D147-R192 PolarHBondContact OD2-NH2 2.89Å; R192-N626 HydrophobicContact CB-CB 4.35Å; R192-N626 WeakPolarHBondContact CD-OD1 3.35Å; R192-N626 PolarHBondContact NE-OD1 3.08Å; R192-N626 VanDerWaalsContact NE-OD1 3.11Å; R192-N626 PolarHBondContact NH1-OD1 3.12Å | ||
| 193 | D | 90.9 | Very high | 72.9 | Confident | 23 Ų | 23 | 89.3 Ų | 89.3 | 12% | 0.123 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -99.7 | -13.9 | 167 | 55.7 | 6.4 | 0 | 0 | 0 | 112.5 | I142 T565 V566 N567 P629 | I142-D193 WeakPolarHBondContact CD1-O 3.35Å; D193-T565 CarbonylContact O-C 3.54Å; D193-T565 WeakPolarHBondContact O-CA 3.28Å; D193-V566 PolarHBondContact O-N 3.41Å; D193-N567 HydrophobicContact CB-CB 3.92Å; D193-P629 HydrophobicContact CB-CG 4.36Å; D193-P629 WeakPolarHBondContact OD2-CB 3.42Å |
| 194 | T | 92.5 | Very high | 72.4 | Confident | 4 Ų | 4 | 89.7 Ų | 89.7 | 3% | 0.025 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143.6 | -169.4 | -44.5 | 0 | 0 | 0 | 0 | 110.8 | L563 R564 T565 Q612 L616 | T194-L563 HydrophobicContact CG2-CD1 3.39Å; T194-L563 HydrophobicContact CG2-CD2 4.2Å; T194-L563 HydrophobicContact CG2-CG 3.55Å; T194-R564 WeakPolarHBondContact CA-O 3.47Å; T194-T565 WeakPolarHBondContact CG2-OG1 3.42Å; T194-Q612 PolarHBondContact OG1-NE2 2.85Å; T194-L616 HydrophobicContact CG2-CD1 4.27Å |
| 195 | F | 94 | Very high | 71.8 | Confident | 33 Ų | 33 | 93.2 Ų | 93.2 | 15% | 0.145 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 160.1 | 173.9 | 67.4 | -78.8 | 0 | 0 | 0 | 113.8 | I142 L144 V197 R564 | I142-F195 HydrophobicContact CD1-CD1 3.92Å; I142-F195 HydrophobicContact CD1-CE1 4.06Å; I142-F195 HydrophobicContact CG2-CD1 3.65Å; I142-F195 HydrophobicContact CG2-CE1 3.56Å; I142-F195 HydrophobicContact CG2-CZ 4.37Å; L144-F195 HydrophobicContact CD1-CB 3.69Å; L144-F195 HydrophobicContact CD1-CD2 4.13Å; L144-F195 HydrophobicContact CD1-CG 4.06Å; L144-F195 HydrophobicContact CD2-CB 4.32Å; L144-F195 HydrophobicContact CD2-CD1 4.12Å; L144-F195 HydrophobicContact CD2-CD2 3.55Å; L144-F195 HydrophobicContact CD2-CE1 4.23Å; L144-F195 HydrophobicContact CD2-CE2 3.68Å; L144-F195 HydrophobicContact CD2-CG 3.76Å; L144-F195 HydrophobicContact CD2-CZ 4.01Å; F195-V197 HydrophobicContact CD2-CG2 3.96Å; F195-V197 HydrophobicContact CE2-CG2 3.52Å; F195-V197 HydrophobicContact CZ-CG2 4.41Å; F195-R564 HydrophobicContact CD1-CB 4Å; F195-R564 HydrophobicContact CD1-CG 4.31Å; F195-R564 WeakPolarHBondContact CD1-O 3.33Å; F195-R564 HydrophobicContact CE1-CB 3.58Å; F195-R564 HydrophobicContact CE1-CG 3.46Å; F195-R564 VanDerWaalsContact CE1-CG 3.46Å; F195-R564 HydrophobicContact CE2-CB 4.15Å; F195-R564 HydrophobicContact CE2-CG 4.5Å; F195-R564 HydrophobicContact CG-CB 4.48Å; F195-R564 HydrophobicContact CZ-CB 3.68Å; F195-R564 HydrophobicContact CZ-CG 3.59Å; F195-R564 PolarHBondContact N-O 2.87Å; F195-R564 PolarHBondContact O-N 2.81Å |
| 196 | L | 94.7 | Very high | 71 | Confident | 50 Ų | 50 | 93.9 Ų | 93.9 | 26% | 0.262 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 129.7 | 173.2 | 175.9 | 66.4 | 0 | 0 | 0 | 110.5 | E198 W561 C562 L613 L616 R617 | L196-E198 HydrophobicContact CD1-CB 4.35Å; L196-E198 HydrophobicContact CD2-CB 4.5Å; L196-E198 HydrophobicContact CD2-CG 4.33Å; L196-E198 HydrophobicContact CG-CB 4.33Å; L196-W561 HydrophobicContact CD1-CB 4.23Å; L196-C562 WeakPolarHBondContact CA-O 3.2Å; L196-L613 HydrophobicContact CD1-CD1 3.65Å; L196-L616 HydrophobicContact CB-CB 4.17Å; L196-R617 HydrophobicContact CD1-CG 3.83Å; L196-R617 HydrophobicContact CD2-CG 3.75Å; L196-R617 HydrophobicContact CG-CG 4.49Å |
| 197 | V | 94.5 | Very high | 70.2 | Confident | 19 Ų | 19 | 94.9 Ų | 94.9 | 12% | 0.115 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.9 | 159.8 | 176.9 | 0 | 0 | 0 | 0 | 107.1 | I122 F195 Y560 W561 C562 | I122-V197 HydrophobicContact CD1-CG2 3.95Å; I122-V197 HydrophobicContact CG2-CG1 3.86Å; I122-V197 HydrophobicContact CG2-CG2 4.45Å; F195-V197 HydrophobicContact CD2-CG2 3.96Å; F195-V197 HydrophobicContact CE2-CG2 3.52Å; F195-V197 HydrophobicContact CZ-CG2 4.41Å; V197-Y560 HydrophobicContact CG1-CE2 4.29Å; V197-W561 CarbonylContact O-C 3.35Å; V197-C562 HydrophobicContact CB-CB 4.26Å; V197-C562 PolarHBondContact N-O 3.23Å; V197-C562 PolarHBondContact O-N 3.44Å |
| 198 | E | 92.1 | Very high | 69.1 | Low | 80 Ų | 80 | 93.4 Ų | 93.4 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 152.8 | 174.8 | 68.9 | 160.6 | -172.9 | 0 | 0 | 114.2 | L196 F202 Y560 W561 | L196-E198 HydrophobicContact CD1-CB 4.35Å; L196-E198 HydrophobicContact CD2-CB 4.5Å; L196-E198 HydrophobicContact CD2-CG 4.33Å; L196-E198 HydrophobicContact CG-CB 4.33Å; E198-F202 WeakPolarHBondContact OE1-CE1 3.1Å; E198-F202 WeakPolarHBondContact OE1-CZ 3.38Å; E198-Y560 WeakPolarHBondContact CA-O 3.35Å; E198-W561 VanDerWaalsContact CB-CD1 3.46Å; E198-W561 HydrophobicContact CB-CG 4.37Å; E198-W561 PolarHBondContact OE2-NE1 3.02Å |
| 199 | R | 89.4 | Confident | 67.8 | Low | 62 Ų | 62 | 96.1 Ų | 96.1 | 23% | 0.234 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 136.2 | 173.4 | -177.7 | -167 | 176.1 | 93.9 | -8.5 | 109 | S115 S555 N558 T559 Y560 | S115-R199 VanDerWaalsContact CA-NH1 3.28Å; S115-R199 PolarHBondContact O-NH1 3Å; S115-R199 PolarHBondContact OG-NH1 2.73Å; S115-R199 PolarHBondContact OG-NH2 2.96Å; R199-S555 PolarHBondContact NH2-O 3.39Å; R199-N558 WeakPolarHBondContact CD-O 3.08Å; R199-N558 PolarHBondContact NE-O 2.84Å; R199-T559 CarbonylContact O-C 3.53Å; R199-T559 WeakPolarHBondContact O-CA 3.04Å; R199-T559 WeakPolarHBondContact O-CG2 3.1Å; R199-Y560 HydrophobicContact CB-CD1 4.05Å; R199-Y560 HydrophobicContact CB-CD2 4.02Å; R199-Y560 HydrophobicContact CB-CE1 3.64Å; R199-Y560 HydrophobicContact CB-CE2 3.58Å; R199-Y560 HydrophobicContact CB-CG 4.22Å; R199-Y560 HydrophobicContact CG-CE1 4.1Å; R199-Y560 PolarHBondContact N-O 3.28Å; R199-Y560 PolarHBondContact O-N 3.09Å |
| 200 | G | 81.1 | Confident | 66.2 | Low | 49 Ų | 49 | 98.9 Ų | 98.9 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | S | Bend | trans | 145.5 | -152.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 201 | K | 62 | Low | 64.1 | Low | 169 Ų | 169 | 103.5 Ų | 103.5 | 74% | 0.735 | 50% | 0.502 | S | S | * | . | trans | -106.2 | 131 | 167.6 | -68.4 | 171.5 | -174.8 | 162.4 | 0 | 108.2 | L203 | K201-L203 PolarHBondContact O-N 2.93Š| ||
| 202 | F | 52.9 | Low | 61.6 | Low | 164 Ų | 164 | 109.7 Ų | 109.7 | 72% | 0.719 | 54% | 0.537 | S | S | * | . | trans | -48.3 | 115.2 | 161.4 | -73.1 | -78.4 | 0 | 0 | 0 | 109.3 | E198 R204 | E198-F202 WeakPolarHBondContact OE1-CE1 3.1Å; E198-F202 WeakPolarHBondContact OE1-CZ 3.38Å; F202-R204 PolarHBondContact O-N 2.82Å | ||
| 203 | L | 47.2 | Very low | 59 | Low | 153 Ų | 153 | 116.3 Ų | 116.3 | 80% | 0.801 | 57% | 0.571 | S | S | * | * | trans | -68.8 | 80.8 | 166 | -69.7 | 176.3 | 0 | 0 | 0 | 107.2 | K201 K205 | K201-L203 PolarHBondContact O-N 2.93Å; L203-K205 PolarHBondContact O-N 2.97Å | ||
| 204 | R | 37.9 | Very low | 56.3 | Low | 230 Ų | 230 | 123.5 Ų | 123.5 | 87% | 0.868 | 60% | 0.604 | S | S | * | * | trans | -49.3 | 117.7 | 169.7 | -83.9 | -170.5 | 168.4 | -163.8 | -4.5 | 107.1 | F202 K206 | F202-R204 PolarHBondContact O-N 2.82Å; R204-K206 PolarHBondContact O-N 3.43Å | ||
| 205 | K | 37.3 | Very low | 53.5 | Low | 203 Ų | 203 | 131.8 Ų | 131.8 | 88% | 0.883 | 64% | 0.643 | S | S | * | * | trans | -66.9 | 77.1 | -170.5 | -154.2 | 177.2 | -170.6 | 178.6 | 0 | 110.2 | L203 E207 | L203-K205 PolarHBondContact O-N 2.97Å; K205-E207 PolarHBondContact O-N 3.39Å | ||
| 206 | K | 31.3 | Very low | 50.8 | Low | 155 Ų | 155 | 134 Ų | 134 | 67% | 0.674 | 66% | 0.662 | S | S | * | * | trans | -65.7 | 123.1 | 165.2 | -174.5 | -173.5 | 176.7 | -163.7 | 0 | 105.7 | R204 E208 | R204-K206 PolarHBondContact O-N 3.43Å; K206-E208 HydrophobicContact CD-CG 3.88Å; K206-E208 WeakPolarHBondContact CD-OE1 3.49Å; K206-E208 VanDerWaalsContact CE-OE1 3.23Å; K206-E208 WeakPolarHBondContact CE-OE1 3.24Å; K206-E208 HydrophobicContact CG-CG 4.02Å; K206-E208 IonicContact NZ-OE1 2.79Å; K206-E208 PolarHBondContact NZ-OE1 2.77Å; K206-E208 PolarHBondContact O-N 2.76Å | ||
| 207 | E | 37.1 | Very low | 48.2 | Very low | 197 Ų | 197 | 138 Ų | 138 | 92% | 0.921 | 68% | 0.684 | S | S | * | * | trans | -70.3 | 81.3 | 177.6 | -65.1 | 177.3 | 120.8 | 0 | 0 | 109.6 | K205 | K205-E207 PolarHBondContact O-N 3.39Š| ||
| 208 | E | 31.6 | Very low | 46 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 65% | 0.654 | 71% | 0.708 | S | S | * | * | trans | -92.1 | 119.6 | 167 | -62.1 | -158.5 | 153 | 0 | 0 | 108.5 | K206 | K206-E208 HydrophobicContact CD-CG 3.88Å; K206-E208 WeakPolarHBondContact CD-OE1 3.49Å; K206-E208 VanDerWaalsContact CE-OE1 3.23Å; K206-E208 WeakPolarHBondContact CE-OE1 3.24Å; K206-E208 HydrophobicContact CG-CG 4.02Å; K206-E208 IonicContact NZ-OE1 2.79Å; K206-E208 PolarHBondContact NZ-OE1 2.77Å; K206-E208 PolarHBondContact O-N 2.76Å | ||
| 209 | S | 33.6 | Very low | 44.2 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -65.3 | 145.1 | -170.6 | 46.1 | 0 | 0 | 0 | 0 | 112.8 | K211 | S209-K211 PolarHBondContact O-N 2.82Å; S209-K211 VanDerWaalsContact O-N 3.17Å | ||
| 210 | S | 36.9 | Very low | 42.9 | Very low | 121 Ų | 121 | 144 Ų | 144 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | -39.1 | 111.3 | -169.5 | -49.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 211 | K | 33.1 | Very low | 41.7 | Very low | 188 Ų | 188 | 150.2 Ų | 150.2 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | trans | -128.6 | 121.3 | 160 | -70.9 | -172.8 | 178.4 | -178.7 | 0 | 108.6 | S209 I213 | S209-K211 PolarHBondContact O-N 2.82Å; S209-K211 VanDerWaalsContact O-N 3.17Å; K211-I213 PolarHBondContact O-N 2.88Å | ||
| 212 | N | 33.5 | Very low | 42.2 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | -66.8 | 101.7 | -176.4 | -70 | -10.9 | 0 | 0 | 0 | 110.9 | Q214 | N212-Q214 VanDerWaalsContact C-N 3.34Å; N212-Q214 PolarHBondContact O-N 2.99Å | ||
| 213 | I | 35 | Very low | 43 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 74% | 0.744 | 71% | 0.709 | S | S | * | * | trans | -88.3 | 80.9 | 162 | -56 | 179.7 | 0 | 0 | 0 | 107.1 | K211 Q215 | K211-I213 PolarHBondContact O-N 2.88Å; I213-Q215 HydrophobicContact CG2-CG 4.23Å; I213-Q215 PolarHBondContact O-N 3.21Å | ||
| 214 | Q | 35 | Very low | 44.2 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | trans | -85.5 | 95 | 166.1 | -77.5 | -176.3 | -20 | 0 | 0 | 108.8 | N212 | N212-Q214 VanDerWaalsContact C-N 3.34Å; N212-Q214 PolarHBondContact O-N 2.99Å | ||
| 215 | Q | 33.3 | Very low | 46 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | trans | -105.6 | 95.6 | 162.4 | -74.8 | -175.6 | -39.1 | 0 | 0 | 107.9 | I213 | I213-Q215 HydrophobicContact CG2-CG 4.23Å; I213-Q215 PolarHBondContact O-N 3.21Å | ||
| 216 | S | 38.2 | Very low | 47.9 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 56% | 0.559 | 63% | 0.631 | S | S | * | * | trans | -89.8 | 146.7 | 173.7 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | H218 | S216-H218 PolarHBondContact O-N 2.91Å; S216-H218 PolarHBondContact O-ND1 2.91Å | ||
| 217 | N | 38.9 | Very low | 50 | Low | 134 Ų | 134 | 123.1 Ų | 123.1 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | trans | -54.5 | 125.7 | 178.1 | -68.5 | -28.2 | 0 | 0 | 0 | 111.2 | L219 | N217-L219 PolarHBondContact O-N 2.96Š| ||
| 218 | H | 48.7 | Very low | 51.9 | Low | 132 Ų | 132 | 116 Ų | 116 | 61% | 0.611 | 59% | 0.585 | S | S | * | * | trans | -99.9 | 89.6 | -170.5 | -90.7 | 32.1 | 0 | 0 | 0 | 112 | S216 R224 | S216-H218 PolarHBondContact O-N 2.91Å; S216-H218 PolarHBondContact O-ND1 2.91Å; H218-R224 PolarHBondContact CD2-NH2 2.9Å; H218-R224 PolarHBondContact CE1-NH1 3.29Å; H218-R224 VanDerWaalsContact CE1-NH1 3.28Å; H218-R224 PolarHBondContact ND1-NH2 2.96Å; H218-R224 PolarHBondContact NE2-NH1 2.91Å; H218-R224 VanDerWaalsContact NE2-NH1 3.16Å | ||
| 219 | L | 55 | Low | 54.2 | Low | 78 Ų | 78 | 109.8 Ų | 109.8 | 41% | 0.408 | 56% | 0.557 | S | S | . | * | trans | -53.4 | 144.9 | 154 | -70.4 | 175.4 | 0 | 0 | 0 | 109.7 | N217 R224 | N217-L219 PolarHBondContact O-N 2.96Å; L219-R224 PolarHBondContact O-NH2 3.05Å | ||
| 220 | P | 60.5 | Low | 56.3 | Low | 78 Ų | 78 | 110.7 Ų | 110.7 | 51% | 0.506 | 55% | 0.549 | S | S | . | . | trans | -42.6 | 141.6 | 172.3 | -31.1 | 34 | 0 | 0 | 0 | 113.4 | Y222 E223 R224 | P220-Y222 PolarHBondContact O-N 2.95Å; P220-E223 HydrophobicContact CB-CG 4.49Å; P220-E223 WeakPolarHBondContact CD-OE2 3.47Å; P220-E223 PolarHBondContact O-N 3.29Å; P220-E223 VanDerWaalsContact O-N 3.09Å; P220-R224 PolarHBondContact O-N 2.89Å | ||
| 221 | K | 56.7 | Low | 58.2 | Low | 179 Ų | 179 | 108.1 Ų | 108.1 | 78% | 0.778 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -52.1 | -34.1 | -175.7 | -176.7 | -178.6 | 176.4 | -175.2 | 0 | 113 | V225 | K221-V225 WeakPolarHBondContact O-CG2 3.47Å; K221-V225 PolarHBondContact O-N 3.12Å |
| 222 | Y | 71.7 | Confident | 59.9 | Low | 114 Ų | 114 | 102.5 Ų | 102.5 | 45% | 0.447 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.1 | -50.1 | 179.1 | 178 | -120.5 | 0 | 0 | 0 | 112.8 | P220 R224 V225 K226 K254 | P220-Y222 PolarHBondContact O-N 2.95Å; Y222-R224 VanDerWaalsContact C-N 3.34Å; Y222-R224 PolarHBondContact O-N 2.9Å; Y222-V225 PolarHBondContact O-N 3.08Å; Y222-V225 VanDerWaalsContact O-N 3.13Å; Y222-K226 PolarHBondContact O-N 3.09Å; Y222-K254 HydrophobicContact CE2-CB 4.13Å; Y222-K254 HydrophobicContact CE2-CG 3.86Å |
| 223 | E | 70.7 | Confident | 61.5 | Low | 96 Ų | 96 | 102.7 Ų | 102.7 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | -178.9 | -66 | 176.3 | 169.4 | 0 | 0 | 111.5 | P220 V225 K226 E227 | P220-E223 HydrophobicContact CB-CG 4.49Å; P220-E223 WeakPolarHBondContact CD-OE2 3.47Å; P220-E223 PolarHBondContact O-N 3.29Å; P220-E223 VanDerWaalsContact O-N 3.09Å; E223-V225 VanDerWaalsContact C-N 3.26Å; E223-V225 PolarHBondContact O-N 3.44Å; E223-K226 WeakPolarHBondContact O-CB 3.41Å; E223-K226 PolarHBondContact O-N 3.45Å; E223-K226 VanDerWaalsContact O-N 3.09Å; E223-E227 WeakPolarHBondContact O-CB 3.3Å; E223-E227 PolarHBondContact O-N 3.17Å |
| 224 | R | 71.8 | Confident | 63.3 | Low | 82 Ų | 82 | 97.6 Ų | 97.6 | 31% | 0.309 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -35.6 | 174.7 | -164.2 | -174.3 | -48 | -176.7 | 5.5 | 112.8 | H218 L219 P220 Y222 L228 | H218-R224 PolarHBondContact CD2-NH2 2.9Å; H218-R224 PolarHBondContact CE1-NH1 3.29Å; H218-R224 VanDerWaalsContact CE1-NH1 3.28Å; H218-R224 PolarHBondContact ND1-NH2 2.96Å; H218-R224 PolarHBondContact NE2-NH1 2.91Å; H218-R224 VanDerWaalsContact NE2-NH1 3.16Å; L219-R224 PolarHBondContact O-NH2 3.05Å; P220-R224 PolarHBondContact O-N 2.89Å; Y222-R224 VanDerWaalsContact C-N 3.34Å; Y222-R224 PolarHBondContact O-N 2.9Å; R224-L228 WeakPolarHBondContact O-CB 3.48Å; R224-L228 WeakPolarHBondContact O-CD1 3.41Å; R224-L228 VanDerWaalsContact O-CG 3.24Å; R224-L228 WeakPolarHBondContact O-CG 3.44Å; R224-L228 PolarHBondContact O-N 2.88Å; R224-L228 VanDerWaalsContact O-N 3.13Å |
| 225 | V | 75.1 | Confident | 65 | Low | 27 Ų | 27 | 95 Ų | 95 | 16% | 0.164 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -73.8 | -40 | 174.5 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | K221 Y222 E223 L228 C229 L255 I257 | K221-V225 WeakPolarHBondContact O-CG2 3.47Å; K221-V225 PolarHBondContact O-N 3.12Å; Y222-V225 PolarHBondContact O-N 3.08Å; Y222-V225 VanDerWaalsContact O-N 3.13Å; E223-V225 VanDerWaalsContact C-N 3.26Å; E223-V225 PolarHBondContact O-N 3.44Å; V225-L228 PolarHBondContact O-N 3.47Å; V225-C229 WeakPolarHBondContact O-CB 3.42Å; V225-C229 PolarHBondContact O-N 3.44Å; V225-C229 PolarHBondContact O-SG 3.47Å; V225-L255 HydrophobicContact CG1-CB 4.2Å; V225-L255 WeakPolarHBondContact CG1-O 3.43Å; V225-I257 HydrophobicContact CG1-CG1 4.06Å |
| 226 | K | 77.9 | Confident | 66.8 | Low | 103 Ų | 103 | 89.4 Ų | 89.4 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 174.4 | -170.1 | 178.7 | -179.4 | -177.5 | 0 | 112 | Y222 E223 C229 Q230 L255 | Y222-K226 PolarHBondContact O-N 3.09Å; E223-K226 WeakPolarHBondContact O-CB 3.41Å; E223-K226 PolarHBondContact O-N 3.45Å; E223-K226 VanDerWaalsContact O-N 3.09Å; K226-C229 PolarHBondContact O-N 2.99Å; K226-Q230 WeakPolarHBondContact O-CG 3.36Å; K226-Q230 PolarHBondContact O-N 2.9Å; K226-Q230 VanDerWaalsContact O-N 3.11Å; K226-L255 HydrophobicContact CG-CD1 4.38Å |
| 227 | E | 75.9 | Confident | 68.5 | Low | 82 Ų | 82 | 87.1 Ų | 87.1 | 38% | 0.383 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.8 | -174.4 | -177.7 | -157.2 | 0 | 0 | 112.1 | E223 Q230 | E223-E227 WeakPolarHBondContact O-CB 3.3Å; E223-E227 PolarHBondContact O-N 3.17Å; E227-Q230 PolarHBondContact O-N 3.26Å |
| 228 | L | 76.9 | Confident | 70 | Confident | 48 Ų | 48 | 83.5 Ų | 83.5 | 25% | 0.251 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 173.4 | -76.2 | 167.4 | 0 | 0 | 0 | 111.5 | R224 V225 Q230 Q231 Y234 I257 | R224-L228 WeakPolarHBondContact O-CB 3.48Å; R224-L228 WeakPolarHBondContact O-CD1 3.41Å; R224-L228 VanDerWaalsContact O-CG 3.24Å; R224-L228 WeakPolarHBondContact O-CG 3.44Å; R224-L228 PolarHBondContact O-N 2.88Å; R224-L228 VanDerWaalsContact O-N 3.13Å; V225-L228 PolarHBondContact O-N 3.47Å; L228-Q230 PolarHBondContact O-N 2.9Å; L228-Q231 WeakPolarHBondContact O-CB 3.48Å; L228-Q231 PolarHBondContact O-N 3.3Å; L228-Y234 HydrophobicContact CD2-CE2 4.09Å; L228-Y234 VanDerWaalsContact O-CD2 3.28Å; L228-Y234 WeakPolarHBondContact O-CD2 3.23Å; L228-I257 HydrophobicContact CB-CD1 3.87Å; L228-I257 HydrophobicContact CD1-CD1 3.67Å; L228-I257 HydrophobicContact CG-CD1 4.4Å |
| 229 | C | 78.9 | Confident | 70.9 | Confident | 10 Ų | 10 | 84.6 Ų | 84.6 | 7% | 0.068 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.6 | -9.2 | 178.5 | -63.1 | 0 | 0 | 0 | 0 | 114.6 | V225 K226 Q231 Q235 C247 L255 | V225-C229 WeakPolarHBondContact O-CB 3.42Å; V225-C229 PolarHBondContact O-N 3.44Å; V225-C229 PolarHBondContact O-SG 3.47Å; K226-C229 PolarHBondContact O-N 2.99Å; C229-Q231 VanDerWaalsContact C-N 3.31Å; C229-Q235 WeakPolarHBondContact O-CG 3.19Å; C229-Q235 PolarHBondContact O-NE2 3.33Å; C229-Q235 VanDerWaalsContact O-NE2 3.07Å; C229-C247 WeakPolarHBondContact CA-SG 3.35Å; C229-C247 HydrophobicContact CB-CB 3.68Å; C229-C247 WeakPolarHBondContact CB-SG 3.23Å; C229-C247 WeakPolarHBondContact SG-CB 3.28Å; C229-C247 CovalentContact SG-SG 2.03Å; C229-C247 PolarHBondContact SG-SG 3.15Å; C229-L255 HydrophobicContact CB-CD1 3.96Å |
| 230 | Q | 78.7 | Confident | 71.3 | Confident | 126 Ų | 126 | 86.3 Ų | 86.3 | 59% | 0.589 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -9.8 | 169.3 | -75.4 | 170 | -30.9 | 0 | 0 | 113.1 | K226 E227 L228 Q235 | K226-Q230 WeakPolarHBondContact O-CG 3.36Å; K226-Q230 PolarHBondContact O-N 2.9Å; K226-Q230 VanDerWaalsContact O-N 3.11Å; E227-Q230 PolarHBondContact O-N 3.26Å; L228-Q230 PolarHBondContact O-N 2.9Å; Q230-Q235 PolarHBondContact O-NE2 2.84Å |
| 231 | Q | 75.8 | Confident | 71.4 | Confident | 68 Ų | 68 | 88.8 Ų | 88.8 | 32% | 0.318 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -86.5 | 124.7 | 177.5 | -54.9 | 174 | 8.3 | 0 | 0 | 110.1 | L228 C229 R233 Y234 | L228-Q231 WeakPolarHBondContact O-CB 3.48Å; L228-Q231 PolarHBondContact O-N 3.3Å; C229-Q231 VanDerWaalsContact C-N 3.31Å; Q231-R233 HydrophobicContact CB-CG 4.2Å; Q231-R233 PolarHBondContact O-N 2.78Å; Q231-R233 VanDerWaalsContact OE1-CZ 3.29Å; Q231-Y234 HydrophobicContact CB-CD2 4.16Å; Q231-Y234 PolarHBondContact O-N 3.01Å |
| 232 | A | 70 | Confident | 71.9 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -46.8 | -37.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y234 Q235 | A232-Y234 PolarHBondContact O-N 2.67Å; A232-Q235 PolarHBondContact O-N 2.91Å |
| 233 | R | 67.3 | Low | 71.8 | Confident | 153 Ų | 153 | 79.7 Ų | 79.7 | 58% | 0.577 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -60.6 | -8 | 177.1 | 68.4 | 176.8 | 176.3 | 160.7 | 0.1 | 116.4 | Q231 | Q231-R233 HydrophobicContact CB-CG 4.2Å; Q231-R233 PolarHBondContact O-N 2.78Å; Q231-R233 VanDerWaalsContact OE1-CZ 3.29Å |
| 234 | Y | 72.8 | Confident | 72 | Confident | 38 Ų | 38 | 82.1 Ų | 82.1 | 15% | 0.149 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -121.5 | -3.7 | 175 | -58 | -63.2 | 0 | 0 | 0 | 113.1 | L228 Q231 A232 W245 C247 | L228-Y234 HydrophobicContact CD2-CE2 4.09Å; L228-Y234 VanDerWaalsContact O-CD2 3.28Å; L228-Y234 WeakPolarHBondContact O-CD2 3.23Å; Q231-Y234 HydrophobicContact CB-CD2 4.16Å; Q231-Y234 PolarHBondContact O-N 3.01Å; A232-Y234 PolarHBondContact O-N 2.67Å; Y234-W245 HydrophobicContact CD1-CB 3.93Å; Y234-W245 HydrophobicContact CE1-CB 3.9Å; Y234-W245 HydrophobicContact CE1-CG 4.41Å; Y234-C247 PolarHBondContact O-N 2.96Å |
| 235 | Q | 71.1 | Confident | 72.4 | Confident | 118 Ų | 118 | 83.9 Ų | 83.9 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -30.1 | 179.4 | -68.7 | 176.5 | -21 | 0 | 0 | 112.3 | C229 Q230 A232 | C229-Q235 WeakPolarHBondContact O-CG 3.19Å; C229-Q235 PolarHBondContact O-NE2 3.33Å; C229-Q235 VanDerWaalsContact O-NE2 3.07Å; Q230-Q235 PolarHBondContact O-NE2 2.84Å; A232-Q235 PolarHBondContact O-N 2.91Å |
| 236 | T | 70.3 | Confident | 72.8 | Confident | 61 Ų | 61 | 84.8 Ų | 84.8 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -65.2 | 144.2 | 172.1 | 51.3 | 0 | 0 | 0 | 0 | 111 | Q243 | T236-Q243 PolarHBondContact O-NE2 3.12Å; T236-Q243 PolarHBondContact OG1-NE2 3.25Å; T236-Q243 PolarHBondContact OG1-OE1 3.26Å |
| 237 | A | 73.7 | Confident | 73.3 | Confident | 32 Ų | 32 | 80.8 Ų | 80.8 | 26% | 0.264 | 42% | 0.424 | S | S | . | . | trans | -59.4 | 161.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111 | E239 Q243 | A237-E239 HydrophobicContact CB-CG 4.05Å; A237-E239 WeakPolarHBondContact CB-OE1 3.44Å; A237-E239 PolarHBondContact O-N 3.19Å; A237-Q243 PolarHBondContact O-OE1 2.72Å | ||
| 238 | C | 71.1 | Confident | 73.5 | Confident | 58 Ų | 58 | 80.6 Ų | 80.6 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 50 | -179.4 | -72 | 0 | 0 | 0 | 0 | 114.7 | Q246 C260 | C238-Q246 VanDerWaalsContact SG-CB 3.52Å; C238-Q246 PolarHBondContact SG-OE1 2.87Å; C238-C260 HydrophobicContact CB-CB 3.67Å; C238-C260 WeakPolarHBondContact CB-SG 3.4Å; C238-C260 WeakPolarHBondContact SG-CA 3.46Å; C238-C260 WeakPolarHBondContact SG-CB 3.42Å; C238-C260 CovalentContact SG-SG 2.04Å; C238-C260 PolarHBondContact SG-SG 2.75Å |
| 239 | E | 66.5 | Low | 73.7 | Confident | 155 Ų | 155 | 84 Ų | 84 | 72% | 0.724 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -25.4 | -172.9 | -65.3 | 166.3 | -174.1 | 0 | 0 | 112.1 | A237 | A237-E239 HydrophobicContact CB-CG 4.05Å; A237-E239 WeakPolarHBondContact CB-OE1 3.44Å; A237-E239 PolarHBondContact O-N 3.19Å |
| 240 | Q | 64.8 | Low | 73.6 | Confident | 115 Ų | 115 | 85.6 Ų | 85.6 | 54% | 0.537 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -78.1 | 131.3 | -176.7 | -64.6 | -62.8 | -35.5 | 0 | 0 | 111.7 | G242 Q243 | Q240-G242 PolarHBondContact O-N 3.08Å; Q240-G242 VanDerWaalsContact O-N 3.15Å; Q240-Q243 HydrophobicContact CB-CB 4.16Å; Q240-Q243 VanDerWaalsContact O-CB 3.27Å; Q240-Q243 WeakPolarHBondContact O-CB 3.27Å; Q240-Q243 PolarHBondContact O-N 3.16Å |
| 241 | P | 62.1 | Low | 73.3 | Confident | 129 Ų | 129 | 87 Ų | 87 | 84% | 0.838 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 119.3 | -177.2 | 24.7 | -33.3 | 0 | 0 | 0 | 111.1 | ||
| 242 | G | 66.1 | Low | 73.2 | Confident | 70 Ų | 70 | 87.9 Ų | 87.9 | 72% | 0.722 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -3.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q240 K244 | Q240-G242 PolarHBondContact O-N 3.08Å; Q240-G242 VanDerWaalsContact O-N 3.15Å; G242-K244 PolarHBondContact O-N 2.89Å |
| 243 | Q | 70.3 | Confident | 73.2 | Confident | 32 Ų | 32 | 86.3 Ų | 86.3 | 15% | 0.15 | 47% | 0.469 | C | S | . | . | trans | -65.5 | 122.8 | 171.8 | -173.4 | 175.3 | -19.6 | 0 | 0 | 110.4 | T236 A237 Q240 W245 C260 | T236-Q243 PolarHBondContact O-NE2 3.12Å; T236-Q243 PolarHBondContact OG1-NE2 3.25Å; T236-Q243 PolarHBondContact OG1-OE1 3.26Å; A237-Q243 PolarHBondContact O-OE1 2.72Å; Q240-Q243 HydrophobicContact CB-CB 4.16Å; Q240-Q243 VanDerWaalsContact O-CB 3.27Å; Q240-Q243 WeakPolarHBondContact O-CB 3.27Å; Q240-Q243 PolarHBondContact O-N 3.16Å; Q243-W245 WeakPolarHBondContact CG-O 3.05Å; Q243-W245 PolarHBondContact NE2-O 2.99Å; Q243-C260 WeakPolarHBondContact O-CB 3.41Å | ||
| 244 | K | 74.3 | Confident | 73.7 | Confident | 148 Ų | 148 | 84.2 Ų | 84.2 | 64% | 0.643 | 46% | 0.464 | S | S | * | . | trans | -100.7 | -16.9 | -175.4 | -66.8 | 179.9 | -176.2 | 177.4 | 0 | 113.9 | G242 K259 C260 | G242-K244 PolarHBondContact O-N 2.89Å; K244-K259 WeakPolarHBondContact O-CA 3.03Å; K244-K259 WeakPolarHBondContact O-CG 3.41Å; K244-C260 PolarHBondContact O-N 2.9Å | ||
| 245 | W | 80.3 | Confident | 74 | Confident | 119 Ų | 119 | 85 Ų | 85 | 45% | 0.451 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 151.8 | -174.4 | -51.2 | 91.9 | 0 | 0 | 0 | 111.7 | Y234 Q243 I257 H258 K259 | Y234-W245 HydrophobicContact CD1-CB 3.93Å; Y234-W245 HydrophobicContact CE1-CB 3.9Å; Y234-W245 HydrophobicContact CE1-CG 4.41Å; Q243-W245 WeakPolarHBondContact CG-O 3.05Å; Q243-W245 PolarHBondContact NE2-O 2.99Å; W245-I257 HydrophobicContact CB-CG2 3.83Å; W245-I257 HydrophobicContact CD2-CG2 4.37Å; W245-I257 HydrophobicContact CE3-CG2 4.02Å; W245-I257 HydrophobicContact CG-CG2 4.32Å; W245-H258 CarbonylContact C-O 3.59Å; W245-H258 WeakPolarHBondContact CA-O 3.39Å; W245-K259 HydrophobicContact CD2-CB 4.47Å; W245-K259 HydrophobicContact CD2-CG 4.5Å; W245-K259 HydrophobicContact CE3-CB 3.78Å; W245-K259 HydrophobicContact CE3-CG 4.26Å; W245-K259 HydrophobicContact CH2-CB 4.16Å; W245-K259 HydrophobicContact CH2-CG 4.25Å; W245-K259 HydrophobicContact CZ2-CG 4.49Å; W245-K259 HydrophobicContact CZ3-CB 3.61Å; W245-K259 HydrophobicContact CZ3-CG 4.14Å |
| 246 | Q | 84.1 | Confident | 74.3 | Confident | 46 Ų | 46 | 85.8 Ų | 85.8 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.3 | 175.6 | 167.8 | -179.4 | -4.1 | 0 | 0 | 109 | C238 I248 H258 | C238-Q246 VanDerWaalsContact SG-CB 3.52Å; C238-Q246 PolarHBondContact SG-OE1 2.87Å; Q246-I248 HydrophobicContact CG-CG1 4.27Å; Q246-H258 PolarHBondContact N-O 2.86Å; Q246-H258 PolarHBondContact O-N 3.01Å |
| 247 | C | 87.8 | Confident | 74.9 | Confident | 19 Ų | 19 | 85.4 Ų | 85.4 | 13% | 0.128 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 138.3 | 167.8 | -72.2 | 0 | 0 | 0 | 0 | 112.4 | C229 Y234 R256 | C229-C247 WeakPolarHBondContact CA-SG 3.35Å; C229-C247 HydrophobicContact CB-CB 3.68Å; C229-C247 WeakPolarHBondContact CB-SG 3.23Å; C229-C247 WeakPolarHBondContact SG-CB 3.28Å; C229-C247 CovalentContact SG-SG 2.03Å; C229-C247 PolarHBondContact SG-SG 3.15Å; Y234-C247 PolarHBondContact O-N 2.96Å; C247-R256 WeakPolarHBondContact CA-O 3.39Å |
| 248 | I | 80.5 | Confident | 75.2 | Confident | 78 Ų | 78 | 88.1 Ų | 88.1 | 40% | 0.4 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 144.5 | 177.5 | -54.6 | 179.2 | 0 | 0 | 0 | 107.5 | Q246 L255 R256 H258 | Q246-I248 HydrophobicContact CG-CG1 4.27Å; I248-L255 CarbonylContact O-C 3.48Å; I248-L255 WeakPolarHBondContact O-CA 3.38Å; I248-R256 PolarHBondContact N-O 3.34Å; I248-R256 PolarHBondContact O-N 2.92Å; I248-H258 HydrophobicContact CD1-CB 4.05Å |
| 249 | E | 81.9 | Confident | 75.5 | Confident | 120 Ų | 120 | 91.1 Ų | 91.1 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129 | 175.2 | -169.3 | 159.7 | -156.2 | 0 | 0 | 111.1 | G253 L255 | E249-G253 VanDerWaalsContact OE1-CA 3.25Å; E249-G253 WeakPolarHBondContact OE1-CA 3.37Å; E249-L255 HydrophobicContact CB-CD2 4.16Å |
| 250 | D | 75.6 | Confident | 76 | Confident | 42 Ų | 42 | 84.4 Ų | 84.4 | 23% | 0.225 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 157.9 | 170.7 | -73.7 | -28.4 | 0 | 0 | 0 | 110.9 | S252 G253 K254 R256 | D250-S252 PolarHBondContact O-N 2.91Å; D250-G253 PolarHBondContact O-N 2.04Å; D250-K254 HydrophobicContact CB-CB 4.48Å; D250-K254 WeakPolarHBondContact CB-O 3.2Å; D250-K254 PolarHBondContact N-O 2.96Å; D250-R256 WeakPolarHBondContact OD1-CD 3.49Å; D250-R256 IonicContact OD1-CZ 2.79Å; D250-R256 VanDerWaalsContact OD1-CZ 3.3Å; D250-R256 IonicContact OD1-NE 3.57Å; D250-R256 PolarHBondContact OD1-NE 3.2Å; D250-R256 IonicContact OD1-NH2 2.76Å; D250-R256 IonicContact OD2-CZ 3.39Å; D250-R256 IonicContact OD2-NE 3.95Å; D250-R256 PolarHBondContact OD2-NE 3.18Å; D250-R256 IonicContact OD2-NH2 3.16Å; D250-R256 PolarHBondContact OD2-NH2 3Å |
| 251 | T | 73.4 | Confident | 76.1 | Confident | 156 Ų | 156 | 88.7 Ų | 88.7 | 96% | 0.957 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 0.8 | 166.5 | 55.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 252 | S | 72.7 | Confident | 75.8 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 60% | 0.601 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 18 | 175.9 | -51.9 | 0 | 0 | 0 | 0 | 113.5 | D250 | D250-S252 PolarHBondContact O-N 2.91Š|
| 253 | G | 71.1 | Confident | 74.9 | Confident | 38 Ų | 38 | 88.3 Ų | 88.3 | 39% | 0.392 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 39.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | E249 D250 | E249-G253 VanDerWaalsContact OE1-CA 3.25Å; E249-G253 WeakPolarHBondContact OE1-CA 3.37Å; D250-G253 PolarHBondContact O-N 2.04Å |
| 254 | K | 76.6 | Confident | 73.5 | Confident | 109 Ų | 109 | 91.6 Ų | 91.6 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 118.3 | -175.3 | -70.3 | -179.6 | -176.7 | 171.1 | 0 | 111.4 | Y222 D250 | Y222-K254 HydrophobicContact CE2-CB 4.13Å; Y222-K254 HydrophobicContact CE2-CG 3.86Å; D250-K254 HydrophobicContact CB-CB 4.48Å; D250-K254 WeakPolarHBondContact CB-O 3.2Å; D250-K254 PolarHBondContact N-O 2.96Å |
| 255 | L | 79.8 | Confident | 71.9 | Confident | 53 Ų | 53 | 91 Ų | 91 | 28% | 0.277 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 139.9 | 176.7 | -66.1 | 165.9 | 0 | 0 | 0 | 112.1 | V225 K226 C229 I248 E249 | V225-L255 HydrophobicContact CG1-CB 4.2Å; V225-L255 WeakPolarHBondContact CG1-O 3.43Å; K226-L255 HydrophobicContact CG-CD1 4.38Å; C229-L255 HydrophobicContact CB-CD1 3.96Å; I248-L255 CarbonylContact O-C 3.48Å; I248-L255 WeakPolarHBondContact O-CA 3.38Å; E249-L255 HydrophobicContact CB-CD2 4.16Å |
| 256 | R | 78.1 | Confident | 69.9 | Low | 136 Ų | 136 | 93.1 Ų | 93.1 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150.9 | 172 | -64.8 | -165.7 | -173.5 | 178.8 | 16.6 | 110.8 | C247 I248 D250 | C247-R256 WeakPolarHBondContact CA-O 3.39Å; I248-R256 PolarHBondContact N-O 3.34Å; I248-R256 PolarHBondContact O-N 2.92Å; D250-R256 WeakPolarHBondContact OD1-CD 3.49Å; D250-R256 IonicContact OD1-CZ 2.79Å; D250-R256 VanDerWaalsContact OD1-CZ 3.3Å; D250-R256 IonicContact OD1-NE 3.57Å; D250-R256 PolarHBondContact OD1-NE 3.2Å; D250-R256 IonicContact OD1-NH2 2.76Å; D250-R256 IonicContact OD2-CZ 3.39Å; D250-R256 IonicContact OD2-NE 3.95Å; D250-R256 PolarHBondContact OD2-NE 3.18Å; D250-R256 IonicContact OD2-NH2 3.16Å; D250-R256 PolarHBondContact OD2-NH2 3Å |
| 257 | I | 83 | Confident | 67.8 | Low | 53 Ų | 53 | 98.9 Ų | 98.9 | 27% | 0.272 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.3 | 175.8 | -48.5 | 179.9 | 0 | 0 | 0 | 109 | V225 L228 W245 | V225-I257 HydrophobicContact CG1-CG1 4.06Å; L228-I257 HydrophobicContact CB-CD1 3.87Å; L228-I257 HydrophobicContact CD1-CD1 3.67Å; L228-I257 HydrophobicContact CG-CD1 4.4Å; W245-I257 HydrophobicContact CB-CG2 3.83Å; W245-I257 HydrophobicContact CD2-CG2 4.37Å; W245-I257 HydrophobicContact CE3-CG2 4.02Å; W245-I257 HydrophobicContact CG-CG2 4.32Å |
| 258 | H | 78.1 | Confident | 65.1 | Low | 89 Ų | 89 | 104.7 Ų | 104.7 | 41% | 0.412 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.7 | 177.9 | -78.8 | -116.9 | 0 | 0 | 0 | 110.8 | W245 Q246 I248 | W245-H258 CarbonylContact C-O 3.59Å; W245-H258 WeakPolarHBondContact CA-O 3.39Å; Q246-H258 PolarHBondContact N-O 2.86Å; Q246-H258 PolarHBondContact O-N 3.01Å; I248-H258 HydrophobicContact CD1-CB 4.05Å |
| 259 | K | 77.8 | Confident | 62.9 | Low | 121 Ų | 121 | 107.5 Ų | 107.5 | 53% | 0.526 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.6 | 175.8 | -166.5 | -160.5 | 170.6 | -162.6 | 0 | 109.6 | K244 W245 D265 | K244-K259 WeakPolarHBondContact O-CA 3.03Å; K244-K259 WeakPolarHBondContact O-CG 3.41Å; W245-K259 HydrophobicContact CD2-CB 4.47Å; W245-K259 HydrophobicContact CD2-CG 4.5Å; W245-K259 HydrophobicContact CE3-CB 3.78Å; W245-K259 HydrophobicContact CE3-CG 4.26Å; W245-K259 HydrophobicContact CH2-CB 4.16Å; W245-K259 HydrophobicContact CH2-CG 4.25Å; W245-K259 HydrophobicContact CZ2-CG 4.49Å; W245-K259 HydrophobicContact CZ3-CB 3.61Å; W245-K259 HydrophobicContact CZ3-CG 4.14Å; K259-D265 IonicContact NZ-OD2 2.66Å |
| 260 | C | 77.6 | Confident | 60.6 | Low | 13 Ų | 13 | 112 Ų | 112 | 9% | 0.088 | 61% | 0.606 | C | S | . | * | trans | -64.2 | 135.1 | 170.2 | -59.5 | 0 | 0 | 0 | 0 | 110.3 | C238 Q243 K244 | C238-C260 HydrophobicContact CB-CB 3.67Å; C238-C260 WeakPolarHBondContact CB-SG 3.4Å; C238-C260 WeakPolarHBondContact SG-CA 3.46Å; C238-C260 WeakPolarHBondContact SG-CB 3.42Å; C238-C260 CovalentContact SG-SG 2.04Å; C238-C260 PolarHBondContact SG-SG 2.75Å; Q243-C260 WeakPolarHBondContact O-CB 3.41Å; K244-C260 PolarHBondContact O-N 2.9Å | ||
| 261 | K | 67.4 | Low | 58.5 | Low | 206 Ų | 206 | 117.9 Ų | 117.9 | 90% | 0.896 | 63% | 0.632 | S | S | * | * | trans | -99.7 | 100.2 | 176 | -70.9 | -175.4 | 178.6 | -179.6 | 0 | 109.7 | ||||
| 262 | G | 54.5 | Low | 56.4 | Low | 49 Ų | 49 | 116.3 Ų | 116.3 | 51% | 0.505 | 63% | 0.627 | S | S | . | * | trans | -81.9 | 152.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S264 | G262-S264 PolarHBondContact O-N 3.25Š| ||
| 263 | P | 48.6 | Very low | 54.4 | Low | 142 Ų | 142 | 118.1 Ų | 118.1 | 92% | 0.922 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 46.1 | -174.7 | 35.8 | -38.5 | 0 | 0 | 0 | 113.1 | ||
| 264 | S | 41.6 | Very low | 52.4 | Low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | -16.1 | -169.1 | -47.6 | 0 | 0 | 0 | 0 | 115.6 | G262 L266 | G262-S264 PolarHBondContact O-N 3.25Å; S264-L266 VanDerWaalsContact C-N 3.29Å; S264-L266 PolarHBondContact O-N 2.81Å; S264-L266 VanDerWaalsContact O-N 3.11Å |
| 265 | D | 39.1 | Very low | 50.1 | Low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 42.4 | -175.4 | -79.7 | -19.7 | 0 | 0 | 0 | 113.1 | K259 | K259-D265 IonicContact NZ-OD2 2.66Š|
| 266 | L | 39.7 | Very low | 47.7 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 86% | 0.859 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | -12.7 | -176.9 | -91.4 | 174.6 | 0 | 0 | 0 | 117.9 | S264 | S264-L266 VanDerWaalsContact C-N 3.29Å; S264-L266 PolarHBondContact O-N 2.81Å; S264-L266 VanDerWaalsContact O-N 3.11Å |
| 267 | L | 39.1 | Very low | 45.4 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -140.7 | 67.8 | -174.7 | -74.7 | 177 | 0 | 0 | 0 | 115.3 | ||||
| 268 | T | 31.9 | Very low | 42.8 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | trans | -145.5 | 109 | 150.1 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 269 | V | 33.2 | Very low | 40.6 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | -121.2 | 147.5 | 163.9 | -179.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 270 | R | 33.5 | Very low | 38.2 | Very low | 215 Ų | 215 | 145.2 Ų | 145.2 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | 76.7 | 151.6 | -170 | -50.4 | 179 | 180 | 178.8 | 0.4 | 112.5 | ||||
| 271 | Q | 31.5 | Very low | 35.9 | Very low | 165 Ų | 165 | 153.1 Ų | 153.1 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | cis | -150.3 | 150 | -2.5 | -130 | 150.7 | -19.9 | 0 | 0 | 109.2 | ||||
| 272 | S | 29.1 | Very low | 34.2 | Very low | 122 Ų | 122 | 151 Ų | 151 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -105.5 | 114.5 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 273 | T | 30.5 | Very low | 32.9 | Very low | 125 Ų | 125 | 156 Ų | 156 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | trans | -100.3 | 128.6 | 177.5 | 42.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 274 | R | 30.3 | Very low | 32.2 | Very low | 225 Ų | 225 | 157.8 Ų | 157.8 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | trans | -86.1 | 139.2 | 166 | -68.2 | 174.2 | 172.6 | 168.2 | -3.7 | 108.5 | ||||
| 275 | N | 28.3 | Very low | 31.8 | Very low | 161 Ų | 161 | 159.8 Ų | 159.8 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -111.7 | 138.6 | 161.4 | -84.6 | -10.7 | 0 | 0 | 0 | 110.6 | ||||
| 276 | L | 30 | Very low | 31.6 | Very low | 142 Ų | 142 | 161.6 Ų | 161.6 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | -142.1 | 104.5 | -176.4 | -86.9 | 169.3 | 0 | 0 | 0 | 109.6 | ||||
| 277 | Y | 28.9 | Very low | 31.1 | Very low | 239 Ų | 239 | 162 Ų | 162 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -161.7 | 162 | 161.3 | -77 | -70.8 | 0 | 0 | 0 | 108 | ||||
| 278 | A | 28.9 | Very low | 30.5 | Very low | 91 Ų | 91 | 159.9 Ų | 159.9 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | cis | -170.8 | 173.8 | -40.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 279 | R | 32 | Very low | 30.5 | Very low | 240 Ų | 240 | 158.8 Ų | 158.8 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -85.6 | 146.7 | -175.9 | -71.7 | 176.9 | 172.8 | 162.6 | -4.3 | 113.7 | ||||
| 280 | G | 26.2 | Very low | 30.3 | Very low | 70 Ų | 70 | 157.6 Ų | 157.6 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -129.4 | 166 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 281 | F | 29.4 | Very low | 30 | Very low | 178 Ų | 178 | 158 Ų | 158 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | -146.9 | 141.3 | -168.6 | -130 | -106.2 | 0 | 0 | 0 | 112.5 | ||||
| 282 | H | 31.5 | Very low | 29.9 | Very low | 161 Ų | 161 | 157.3 Ų | 157.3 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | trans | 24.1 | 139.9 | 165.9 | -71.9 | -50.6 | 0 | 0 | 0 | 123.1 | ||||
| 283 | D | 27.7 | Very low | 30.1 | Very low | 156 Ų | 156 | 157 Ų | 157 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | -138.7 | -175.9 | 121.9 | -148.3 | -14.6 | 0 | 0 | 0 | 111.6 | |||||
| 284 | K | 34.7 | Very low | 30.3 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | trans | -135.3 | 150.1 | -169.1 | -55 | 171.1 | -177.3 | 169 | 0 | 114.5 | ||||
| 285 | D | 33.2 | Very low | 30.5 | Very low | 142 Ų | 142 | 155.4 Ų | 155.4 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -153 | 136.1 | 137.8 | -96.2 | -41.3 | 0 | 0 | 0 | 107 | ||||
| 286 | K | 34.5 | Very low | 31.2 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | 61.6 | 129.9 | 76.6 | -73 | -168.9 | 175.3 | -173.9 | 0 | 113.6 | |||||
| 287 | E | 27.7 | Very low | 31.9 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | cis | -151.1 | 180 | -2.1 | -162.3 | 141.8 | -158.7 | 0 | 0 | 110.9 | ||||
| 288 | C | 28.5 | Very low | 33 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -101.2 | 158.8 | -166.1 | -68.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 289 | S | 30.7 | Very low | 34 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 151.7 | 156.2 | 140.4 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 290 | C | 28.8 | Very low | 34.6 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | -172.3 | 112.7 | -56.8 | -108 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 291 | R | 26.7 | Very low | 35.7 | Very low | 225 Ų | 225 | 146.7 Ų | 146.7 | 85% | 0.849 | 74% | 0.74 | S | S | * | * | trans | 177.6 | 148.5 | 156.7 | -108.1 | -175.6 | 152 | 161 | -4.1 | 109.8 | ||||
| 292 | E | 29.4 | Very low | 36.9 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | cis | -145.7 | 144.6 | -20.8 | -146.8 | 169.6 | -109.7 | 0 | 0 | 105.8 | ||||
| 293 | S | 34.2 | Very low | 37.9 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | -148.7 | 122.5 | -173.7 | -77.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 294 | G | 34.2 | Very low | 39.1 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -62.1 | 132 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R296 | G294-R296 PolarHBondContact O-N 2.88Å; G294-R296 VanDerWaalsContact O-N 3.08Å | ||
| 295 | Y | 35.9 | Very low | 39.7 | Very low | 241 Ų | 241 | 139.2 Ų | 139.2 | 95% | 0.945 | 71% | 0.705 | S | S | * | * | trans | -54.2 | 108.7 | 178.5 | -85.7 | -102.1 | 0 | 0 | 0 | 112.9 | A297 | Y295-A297 PolarHBondContact O-N 2.9Š| ||
| 296 | R | 41.6 | Very low | 40.5 | Very low | 232 Ų | 232 | 142.4 Ų | 142.4 | 88% | 0.875 | 71% | 0.706 | S | S | * | * | trans | -85.1 | 95.2 | 165.4 | -79.3 | -174.2 | 169.2 | -176.2 | -1.8 | 110.2 | G294 | G294-R296 PolarHBondContact O-N 2.88Å; G294-R296 VanDerWaalsContact O-N 3.08Å | ||
| 297 | A | 45.8 | Very low | 41.3 | Very low | 46 Ų | 46 | 141.5 Ų | 141.5 | 38% | 0.38 | 71% | 0.705 | S | S | . | * | trans | -48.5 | 139.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y295 Q301 R302 | Y295-A297 PolarHBondContact O-N 2.9Å; A297-Q301 HydrophobicContact CB-CB 4.39Å; A297-R302 PolarHBondContact O-NE 2.94Å | ||
| 298 | S | 51.8 | Low | 42 | Very low | 51 Ų | 51 | 141 Ų | 141 | 36% | 0.357 | 70% | 0.7 | S | S | . | * | trans | -72.7 | 166.9 | -164.7 | 84.9 | 0 | 0 | 0 | 0 | 113.8 | S300 Q301 R302 | S298-S300 PolarHBondContact O-N 3Å; S298-S300 VanDerWaalsContact O-N 3.15Å; S298-S300 PolarHBondContact OG-OG 2.9Å; S298-Q301 PolarHBondContact O-N 3.11Å; S298-R302 PolarHBondContact O-N 3.03Å; S298-R302 VanDerWaalsContact O-N 3.08Å | ||
| 299 | R | 48.3 | Very low | 42.8 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -16.3 | -177.8 | -153.7 | 175.1 | -172.5 | 177.6 | 2.9 | 113.6 | ||
| 300 | S | 45.5 | Very low | 43.5 | Very low | 84 Ų | 84 | 146.5 Ų | 146.5 | 59% | 0.587 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -43.7 | 170.9 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | S298 R302 K303 S304 | S298-S300 PolarHBondContact O-N 3Å; S298-S300 VanDerWaalsContact O-N 3.15Å; S298-S300 PolarHBondContact OG-OG 2.9Å; S300-R302 VanDerWaalsContact C-N 3.33Å; S300-R302 PolarHBondContact O-N 2.03Å; S300-K303 WeakPolarHBondContact O-CA 3.47Å; S300-K303 WeakPolarHBondContact O-CB 3.32Å; S300-K303 PolarHBondContact O-N 3.02Å; S300-S304 PolarHBondContact O-N 3.11Å |
| 301 | Q | 49.7 | Very low | 44.5 | Very low | 108 Ų | 108 | 148 Ų | 148 | 51% | 0.505 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -59.7 | -40.6 | 176.3 | -72.3 | 171.7 | -48.4 | 0 | 0 | 112.2 | A297 S298 K303 S304 Q305 | A297-Q301 HydrophobicContact CB-CB 4.39Å; S298-Q301 PolarHBondContact O-N 3.11Å; Q301-K303 PolarHBondContact O-N 2.81Å; Q301-K303 VanDerWaalsContact O-N 3.08Å; Q301-S304 PolarHBondContact O-N 3.47Å; Q301-S304 PolarHBondContact O-OG 2.92Å; Q301-S304 VanDerWaalsContact O-OG 3.07Å; Q301-Q305 PolarHBondContact O-N 2.94Å; Q301-Q305 VanDerWaalsContact O-N 3.15Å |
| 302 | R | 55.1 | Low | 45.1 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 57% | 0.574 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -62.7 | -14 | 173.2 | -68.4 | -177.5 | -179.4 | -155 | -7.4 | 114 | A297 S298 S300 | A297-R302 PolarHBondContact O-NE 2.94Å; S298-R302 PolarHBondContact O-N 3.03Å; S298-R302 VanDerWaalsContact O-N 3.08Å; S300-R302 VanDerWaalsContact C-N 3.33Å; S300-R302 PolarHBondContact O-N 2.03Å |
| 303 | K | 52.4 | Low | 46.1 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 70% | 0.704 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -90.9 | -43.4 | 179 | -131.1 | -176.5 | -178.4 | -168.4 | 0 | 111.9 | S300 Q301 R306 Q307 | S300-K303 WeakPolarHBondContact O-CA 3.47Å; S300-K303 WeakPolarHBondContact O-CB 3.32Å; S300-K303 PolarHBondContact O-N 3.02Å; Q301-K303 PolarHBondContact O-N 2.81Å; Q301-K303 VanDerWaalsContact O-N 3.08Å; K303-R306 PolarHBondContact O-N 2.9Å; K303-Q307 PolarHBondContact O-N 2.9Å |
| 304 | S | 51.8 | Low | 46.3 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 51% | 0.51 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -66.4 | -40.5 | 174.7 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | S300 Q301 R306 Q307 F308 | S300-S304 PolarHBondContact O-N 3.11Å; Q301-S304 PolarHBondContact O-N 3.47Å; Q301-S304 PolarHBondContact O-OG 2.92Å; Q301-S304 VanDerWaalsContact O-OG 3.07Å; S304-R306 VanDerWaalsContact C-N 3.28Å; S304-R306 PolarHBondContact O-N 3.49Å; S304-Q307 WeakPolarHBondContact O-CA 3.21Å; S304-Q307 WeakPolarHBondContact O-CB 3.32Å; S304-Q307 PolarHBondContact O-N 3.31Å; S304-F308 PolarHBondContact O-N 3.26Å; S304-F308 VanDerWaalsContact O-N 3.07Å |
| 305 | Q | 48.7 | Very low | 46.6 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 61% | 0.607 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -61 | -35 | 178.1 | -162.4 | 177.2 | 24.6 | 0 | 0 | 112.7 | Q301 Q307 L309 | Q301-Q305 PolarHBondContact O-N 2.94Å; Q301-Q305 VanDerWaalsContact O-N 3.15Å; Q305-Q307 VanDerWaalsContact C-N 3.27Å; Q305-Q307 PolarHBondContact O-N 3.34Å; Q305-L309 WeakPolarHBondContact O-CG 3.18Å; Q305-L309 PolarHBondContact O-N 2.86Å |
| 306 | R | 49.9 | Very low | 46.6 | Very low | 210 Ų | 210 | 142.9 Ų | 142.9 | 79% | 0.792 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -71.2 | -17.6 | 172.4 | -86.3 | -169.9 | 169.1 | -148.6 | -3 | 114.3 | K303 S304 | K303-R306 PolarHBondContact O-N 2.9Å; S304-R306 VanDerWaalsContact C-N 3.28Å; S304-R306 PolarHBondContact O-N 3.49Å |
| 307 | Q | 49.6 | Very low | 46.3 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 72% | 0.715 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -89.2 | -33.5 | 178.7 | -158.6 | 162.7 | -9.4 | 0 | 0 | 111 | K303 S304 Q305 | K303-Q307 PolarHBondContact O-N 2.9Å; S304-Q307 WeakPolarHBondContact O-CA 3.21Å; S304-Q307 WeakPolarHBondContact O-CB 3.32Å; S304-Q307 PolarHBondContact O-N 3.31Å; Q305-Q307 VanDerWaalsContact C-N 3.27Å; Q305-Q307 PolarHBondContact O-N 3.34Å |
| 308 | F | 44.2 | Very low | 45.8 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -66.6 | -46.7 | 172.7 | -169.8 | -104.8 | 0 | 0 | 0 | 112.7 | S304 R310 N311 | S304-F308 PolarHBondContact O-N 3.26Å; S304-F308 VanDerWaalsContact O-N 3.07Å; F308-R310 PolarHBondContact O-N 2.91Å; F308-N311 PolarHBondContact O-N 3.12Å |
| 309 | L | 44.8 | Very low | 45 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 11.2 | 179.5 | -70.7 | 171.6 | 0 | 0 | 0 | 115.3 | Q305 | Q305-L309 WeakPolarHBondContact O-CG 3.18Å; Q305-L309 PolarHBondContact O-N 2.86Å |
| 310 | R | 46.1 | Very low | 44.2 | Very low | 214 Ų | 214 | 149.2 Ų | 149.2 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -14.7 | 177.6 | -147.5 | 178.9 | -170.7 | -154.3 | 0.9 | 113.7 | F308 | F308-R310 PolarHBondContact O-N 2.91Š|
| 311 | N | 48.9 | Very low | 43.6 | Very low | 143 Ų | 143 | 154 Ų | 154 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | -120.2 | 61.4 | -173.7 | -73.9 | 17 | 0 | 0 | 0 | 112.6 | F308 | F308-N311 PolarHBondContact O-N 3.12Š| ||
| 312 | Q | 38.4 | Very low | 42.8 | Very low | 182 Ų | 182 | 154.9 Ų | 154.9 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | trans | -133.3 | 129.6 | 154.3 | -75.4 | -168.5 | -15.3 | 0 | 0 | 108.9 | ||||
| 313 | G | 50.1 | Low | 41.9 | Very low | 84 Ų | 84 | 156 Ų | 156 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -89.5 | 117.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 314 | T | 38.6 | Very low | 41.1 | Very low | 114 Ų | 114 | 155 Ų | 155 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -137.5 | 137.5 | 154.6 | 43.3 | 0 | 0 | 0 | 0 | 108.8 | K316 | T314-K316 PolarHBondContact O-N 2.99Š| ||
| 315 | P | 41.6 | Very low | 40.3 | Very low | 135 Ų | 135 | 162.8 Ų | 162.8 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -79.1 | 85.5 | -169.8 | 31.3 | -35.5 | 0 | 0 | 0 | 111.8 | Y317 | P315-Y317 PolarHBondContact O-N 3.16Š| ||
| 316 | K | 36.1 | Very low | 39.8 | Very low | 185 Ų | 185 | 165.6 Ų | 165.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -71.3 | 101.9 | 170.4 | -75.8 | -166.9 | 173.4 | -173.3 | 0 | 111 | T314 | T314-K316 PolarHBondContact O-N 2.99Š| ||
| 317 | Y | 35.5 | Very low | 39 | Very low | 208 Ų | 208 | 162.6 Ų | 162.6 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | -42.9 | 134.6 | 166.7 | 179.7 | -91.4 | 0 | 0 | 0 | 111.1 | P315 | P315-Y317 PolarHBondContact O-N 3.16Š| ||
| 318 | K | 35.1 | Very low | 38.4 | Very low | 175 Ų | 175 | 166 Ų | 166 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | -126 | 126 | 173.2 | -72.3 | -179.6 | 179.4 | 175.9 | 0 | 108.3 | R320 | K318-R320 PolarHBondContact O-N 3.37Å; K318-R320 VanDerWaalsContact O-N 3.12Å | ||
| 319 | P | 35 | Very low | 38 | Very low | 83 Ų | 83 | 161.4 Ų | 161.4 | 54% | 0.539 | 79% | 0.793 | S | S | . | * | trans | -62.2 | 117.9 | 168.7 | 26.2 | -32.5 | 0 | 0 | 0 | 108.8 | F321 | P319-F321 VanDerWaalsContact C-N 3.31Å; P319-F321 HydrophobicContact CB-CD2 4.36Å; P319-F321 HydrophobicContact CB-CE2 4.23Å; P319-F321 HydrophobicContact CG-CD2 4.36Å; P319-F321 HydrophobicContact CG-CE2 4.06Å; P319-F321 PolarHBondContact O-N 3.44Å | ||
| 320 | R | 30.5 | Very low | 37.6 | Very low | 235 Ų | 235 | 161.6 Ų | 161.6 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -71.9 | 91.7 | 165.4 | -83.1 | -174.6 | 172.3 | -179.6 | -0.9 | 107.6 | K318 V322 | K318-R320 PolarHBondContact O-N 3.37Å; K318-R320 VanDerWaalsContact O-N 3.12Å; R320-V322 PolarHBondContact O-N 3.15Å | ||
| 321 | F | 33.8 | Very low | 37.2 | Very low | 185 Ų | 185 | 154.8 Ų | 154.8 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -60.6 | 104.7 | 161.9 | -83.3 | -87.6 | 0 | 0 | 0 | 108.4 | P319 H323 | P319-F321 VanDerWaalsContact C-N 3.31Å; P319-F321 HydrophobicContact CB-CD2 4.36Å; P319-F321 HydrophobicContact CB-CE2 4.23Å; P319-F321 HydrophobicContact CG-CD2 4.36Å; P319-F321 HydrophobicContact CG-CE2 4.06Å; P319-F321 PolarHBondContact O-N 3.44Å; F321-H323 PolarHBondContact O-N 3.44Å | ||
| 322 | V | 33.2 | Very low | 36.9 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | -68.4 | 114.2 | 171.6 | 177.6 | 0 | 0 | 0 | 0 | 106.8 | R320 T324 | R320-V322 PolarHBondContact O-N 3.15Å; V322-T324 PolarHBondContact O-N 2.72Å | ||
| 323 | H | 34.8 | Very low | 36.9 | Very low | 177 Ų | 177 | 150 Ų | 150 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | trans | -61.7 | 119.9 | 164.2 | -86.1 | -65.7 | 0 | 0 | 0 | 108 | F321 R325 | F321-H323 PolarHBondContact O-N 3.44Å; H323-R325 PolarHBondContact O-N 2.79Å | ||
| 324 | T | 36.5 | Very low | 36.1 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | trans | -57 | 108.2 | 168.6 | 37.6 | 0 | 0 | 0 | 0 | 108.7 | V322 | V322-T324 PolarHBondContact O-N 2.72Š| ||
| 325 | R | 35.2 | Very low | 36.2 | Very low | 236 Ų | 236 | 156.2 Ų | 156.2 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 156.9 | 164.9 | -76 | -177.4 | 167.5 | -174.7 | -4.5 | 108.4 | H323 | H323-R325 PolarHBondContact O-N 2.79Š|
| 326 | Q | 37.5 | Very low | 36.5 | Very low | 190 Ų | 190 | 152.9 Ų | 152.9 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 148.7 | 164 | -69.2 | 169.4 | -98.6 | 0 | 0 | 109.3 | R328 | Q326-R328 PolarHBondContact O-N 2.88Š|
| 327 | T | 33.4 | Very low | 36.6 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 90% | 0.896 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -55 | 135.1 | -179.9 | 34.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 328 | R | 36.4 | Very low | 36.8 | Very low | 224 Ų | 224 | 144.9 Ų | 144.9 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -101 | 154.6 | 162.8 | -163.6 | 179.1 | -170.6 | -166.1 | -0.1 | 106.6 | Q326 | Q326-R328 PolarHBondContact O-N 2.88Š|
| 329 | S | 35.7 | Very low | 37.1 | Very low | 68 Ų | 68 | 142.7 Ų | 142.7 | 48% | 0.476 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 146.3 | 174.7 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 330 | L | 36.4 | Very low | 37.3 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | trans | -107.7 | 108.7 | 169.9 | -74.1 | 170.6 | 0 | 0 | 0 | 107.2 | ||||
| 331 | S | 37.6 | Very low | 37.8 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 50% | 0.497 | 69% | 0.694 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.7 | 130.7 | 164.6 | 55.6 | 0 | 0 | 0 | 0 | 109 | Y339 | S331-Y339 WeakPolarHBondContact CA-O 3.27Å |
| 332 | V | 42.7 | Very low | 38.1 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 54% | 0.539 | 69% | 0.691 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.4 | 173.8 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | Y339 | V332-Y339 PolarHBondContact N-O 3.26Å; V332-Y339 PolarHBondContact O-N 2.81Å; V332-Y339 VanDerWaalsContact O-N 3.08Å |
| 333 | E | 39.8 | Very low | 38.5 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 122.9 | -178.8 | -171.5 | 170.9 | -121.4 | 0 | 0 | 108.5 | E337 I338 | E333-E337 WeakPolarHBondContact CA-O 3.48Å; E333-I338 HydrophobicContact CB-CG1 4.29Å; E333-I338 HydrophobicContact CG-CG1 4.01Å |
| 334 | F | 33.1 | Very low | 38.6 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 63% | 0.627 | 70% | 0.7 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -142.6 | 133.1 | -180 | -168.1 | -95 | 0 | 0 | 0 | 109.2 | G336 E337 | F334-G336 PolarHBondContact O-N 2.64Å; F334-E337 PolarHBondContact N-O 3.04Å; F334-E337 VanDerWaalsContact N-O 3.16Å; F334-E337 PolarHBondContact O-N 3.01Å |
| 335 | E | 39.9 | Very low | 38.5 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51 | 14.9 | -177.1 | -70.2 | -179 | 169.3 | 0 | 0 | 116.9 | ||
| 336 | G | 48.2 | Very low | 38.2 | Very low | 65 Ų | 65 | 139 Ų | 139 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.5 | 0.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F334 | F334-G336 PolarHBondContact O-N 2.64Š|
| 337 | E | 37.6 | Very low | 37.7 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 56% | 0.561 | 71% | 0.705 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 153.2 | 168.5 | -68.7 | -164 | 163.5 | 0 | 0 | 111.7 | E333 F334 Y339 | E333-E337 WeakPolarHBondContact CA-O 3.48Å; F334-E337 PolarHBondContact N-O 3.04Å; F334-E337 VanDerWaalsContact N-O 3.16Å; F334-E337 PolarHBondContact O-N 3.01Å; E337-Y339 HydrophobicContact CB-CE1 4.28Å; E337-Y339 HydrophobicContact CB-CE2 3.95Å; E337-Y339 WeakPolarHBondContact CB-OH 3.36Å; E337-Y339 PolarHBondContact OE2-OH 2.88Å |
| 338 | I | 41.2 | Very low | 37.6 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 54% | 0.544 | 71% | 0.707 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.4 | -177.2 | -58.1 | 173 | 0 | 0 | 0 | 108.6 | E333 | E333-I338 HydrophobicContact CB-CG1 4.29Å; E333-I338 HydrophobicContact CG-CG1 4.01Å |
| 339 | Y | 40.3 | Very low | 37.2 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 51% | 0.506 | 70% | 0.703 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.5 | 178.8 | -55.5 | -71.1 | 0 | 0 | 0 | 111.3 | S331 V332 E337 | S331-Y339 WeakPolarHBondContact CA-O 3.27Å; V332-Y339 PolarHBondContact N-O 3.26Å; V332-Y339 PolarHBondContact O-N 2.81Å; V332-Y339 VanDerWaalsContact O-N 3.08Å; E337-Y339 HydrophobicContact CB-CE1 4.28Å; E337-Y339 HydrophobicContact CB-CE2 3.95Å; E337-Y339 WeakPolarHBondContact CB-OH 3.36Å; E337-Y339 PolarHBondContact OE2-OH 2.88Å |
| 340 | D | 39.5 | Very low | 36.7 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 57% | 0.567 | 73% | 0.725 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.3 | 173.5 | -101.9 | -45.7 | 0 | 0 | 0 | 109.6 | ||
| 341 | I | 41.1 | Very low | 36.4 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 56% | 0.564 | 72% | 0.721 | S | S | * | * | trans | -105.1 | 116.6 | -178.8 | -54.7 | 175.9 | 0 | 0 | 0 | 110 | L343 | I341-L343 HydrophobicContact CG2-CD2 4.34Å; I341-L343 HydrophobicContact CG2-CG 4.2Å | ||
| 342 | N | 39.5 | Very low | 35.8 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | -97 | 143.4 | 168.1 | -73.9 | -51.7 | 0 | 0 | 0 | 110.2 | ||||
| 343 | L | 41.2 | Very low | 35.1 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -127.9 | 38.9 | -172.3 | -74.5 | 170.4 | 0 | 0 | 0 | 113.1 | I341 | I341-L343 HydrophobicContact CG2-CD2 4.34Å; I341-L343 HydrophobicContact CG2-CG 4.2Å | ||
| 344 | E | 37.3 | Very low | 34.7 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 91% | 0.907 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -128.4 | -5.5 | 175.5 | -69.8 | -164.8 | 148.2 | 0 | 0 | 115.4 | ||
| 345 | E | 34.4 | Very low | 34.2 | Very low | 190 Ų | 190 | 153.1 Ų | 153.1 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -141.7 | 83.3 | -179.1 | -68.3 | -171 | 147.2 | 0 | 0 | 113.4 | ||||
| 346 | E | 29.2 | Very low | 33.9 | Very low | 198 Ų | 198 | 152 Ų | 152 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | trans | -158.4 | 70.6 | 161.4 | -151.8 | 168.5 | -123 | 0 | 0 | 114.1 | ||||
| 347 | E | 28.1 | Very low | 32.7 | Very low | 200 Ų | 200 | 157.2 Ų | 157.2 | 94% | 0.935 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -161.4 | 66.1 | 153 | -142.8 | 177.1 | -145.3 | 0 | 0 | 114.4 | ||
| 348 | E | 30 | Very low | 32.1 | Very low | 197 Ų | 197 | 155.6 Ų | 155.6 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -158.2 | 87.3 | 152.5 | -147.3 | 177.2 | -125.9 | 0 | 0 | 112.3 | ||||
| 349 | L | 27.4 | Very low | 31.4 | Very low | 148 Ų | 148 | 159.8 Ų | 159.8 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -155.2 | 94.9 | 174.5 | -143.3 | 151.3 | 0 | 0 | 0 | 115.2 | V351 | L349-V351 HydrophobicContact CD2-CG2 3.77Å; L349-V351 HydrophobicContact CG-CG2 4.5Å | ||
| 350 | Q | 26.3 | Very low | 30.6 | Very low | 200 Ų | 200 | 163.5 Ų | 163.5 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | trans | -148.7 | 69.3 | 146.2 | -121.7 | 168.9 | 68.5 | 0 | 0 | 112.6 | ||||
| 351 | V | 29 | Very low | 29.9 | Very low | 109 Ų | 109 | 165.8 Ų | 165.8 | 66% | 0.661 | 81% | 0.812 | S | S | * | * | trans | 3.7 | 128 | 147.2 | 173.9 | 0 | 0 | 0 | 0 | 117.3 | L349 | L349-V351 HydrophobicContact CD2-CG2 3.77Å; L349-V351 HydrophobicContact CG-CG2 4.5Å | ||
| 352 | L | 25.1 | Very low | 29.3 | Very low | 164 Ų | 164 | 166.7 Ų | 166.7 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | -158.2 | 145.4 | 118.4 | -103 | 174.3 | 0 | 0 | 0 | 112.7 | |||||
| 353 | Q | 28 | Very low | 28.6 | Very low | 160 Ų | 160 | 168.9 Ų | 168.9 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -132.3 | 166.5 | 178.9 | -85.7 | -88.2 | -15.5 | 0 | 0 | 106.1 | ||||
| 354 | P | 31.5 | Very low | 27.8 | Very low | 103 Ų | 103 | 164.1 Ų | 164.1 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | cis | -155.7 | -172.7 | 35.5 | 46.8 | -25.9 | 0 | 0 | 0 | 119.5 | ||||
| 355 | R | 23.2 | Very low | 27.5 | Very low | 227 Ų | 227 | 163.9 Ų | 163.9 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | 88.3 | 131.6 | 149.2 | -78.6 | 177.5 | -179.3 | 176.5 | 0.9 | 120.7 | ||||
| 356 | N | 32.8 | Very low | 27.2 | Very low | 160 Ų | 160 | 164.3 Ų | 164.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -83.9 | 148.3 | 158.4 | -70.9 | -83.3 | 0 | 0 | 0 | 110.7 | ||||
| 357 | I | 24.6 | Very low | 27 | Very low | 176 Ų | 176 | 158.2 Ų | 158.2 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | trans | -159.3 | 162.6 | 148.2 | -104.9 | 155 | 0 | 0 | 0 | 107.6 | ||||
| 358 | A | 24.4 | Very low | 27.6 | Very low | 85 Ų | 85 | 154 Ų | 154 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | -119.8 | 168.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 359 | K | 26.4 | Very low | 27.5 | Very low | 194 Ų | 194 | 155 Ų | 155 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 81.5 | 139 | 156 | -80.3 | 179 | 175.1 | 174.6 | 0 | 120.4 | ||||
| 360 | R | 23.8 | Very low | 27.6 | Very low | 207 Ų | 207 | 153.7 Ų | 153.7 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 83.8 | 131.6 | 142.6 | -81.6 | 179.2 | 160 | -179.4 | -4.2 | 120.9 | ||||
| 361 | H | 25 | Very low | 27.8 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 56.9 | 151.5 | 137.3 | -70.3 | -63.2 | 0 | 0 | 0 | 119.6 | ||||
| 362 | D | 27.9 | Very low | 27.8 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | cis | -160.9 | 176.9 | -20.7 | -143.4 | -43.3 | 0 | 0 | 0 | 108.5 | ||||
| 363 | E | 25.1 | Very low | 27.9 | Very low | 189 Ų | 189 | 150 Ų | 150 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | 62.5 | 154.4 | 169.1 | -59.4 | -167.7 | 171.7 | 0 | 0 | 117.8 | ||||
| 364 | G | 25.3 | Very low | 27.8 | Very low | 63 Ų | 63 | 147.6 Ų | 147.6 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | cis | 169.5 | 134.5 | -12.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 365 | H | 30 | Very low | 27.7 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | 63.7 | 155.8 | 163.5 | -70.5 | -9.9 | 0 | 0 | 0 | 117.8 | ||||
| 366 | K | 27.4 | Very low | 27.9 | Very low | 199 Ų | 199 | 141.5 Ų | 141.5 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | cis | -128.1 | 158.7 | 1.7 | -65.3 | 177.8 | -179.4 | 173.3 | 0 | 110.6 | ||||
| 367 | G | 25.2 | Very low | 27.7 | Very low | 70 Ų | 70 | 137.5 Ų | 137.5 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -94.5 | -131.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 368 | P | 41.7 | Very low | 27.9 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -149.8 | -176.4 | 11.7 | 44.6 | -24.5 | 0 | 0 | 0 | 118 | ||||
| 369 | R | 28.1 | Very low | 28.2 | Very low | 216 Ų | 216 | 145.4 Ų | 145.4 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | 77.1 | 142.7 | 159.5 | -60.9 | -170.1 | 174.7 | 160.9 | 2.4 | 118.3 | ||||
| 370 | D | 27.9 | Very low | 28.3 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | cis | -167.6 | 162.6 | -11.4 | -95.6 | -17.7 | 0 | 0 | 0 | 105.8 | ||||
| 371 | L | 30.5 | Very low | 28.9 | Very low | 136 Ų | 136 | 141 Ų | 141 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | cis | -163.4 | -177.6 | -8.1 | -103.2 | 166.5 | 0 | 0 | 0 | 106 | ||||
| 372 | Q | 29 | Very low | 29.1 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -139.7 | -80.9 | 6.7 | -169.2 | 172.5 | 80.6 | 0 | 0 | 113.5 | ||||
| 373 | A | 27.4 | Very low | 29.4 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -163.1 | 174.6 | -161.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 374 | S | 26.7 | Very low | 29.9 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | cis | -155.6 | 132.4 | 18.2 | -169.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 375 | S | 28.8 | Very low | 30.1 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | 53.4 | 157 | 135.2 | -153.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 376 | G | 27.8 | Very low | 30.2 | Very low | 76 Ų | 76 | 139.7 Ų | 139.7 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 120.3 | 100 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 377 | G | 28 | Very low | 30.9 | Very low | 77 Ų | 77 | 135.1 Ų | 135.1 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -118.2 | -168.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 378 | N | 28.8 | Very low | 31.6 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | 74.8 | 101.8 | 170.1 | -123.3 | -0.6 | 0 | 0 | 0 | 118 | G380 | N378-G380 PolarHBondContact O-N 2.73Å; N378-G380 VanDerWaalsContact O-N 3.14Å | ||
| 379 | R | 31.5 | Very low | 31.2 | Very low | 256 Ų | 256 | 138.9 Ų | 138.9 | 97% | 0.966 | 81% | 0.806 | S | S | * | * | trans | -80.2 | 84.7 | 166.2 | -80.3 | -174.1 | 169.8 | -172.7 | -2.5 | 110.9 | ||||
| 380 | G | 29.3 | Very low | 32.1 | Very low | 72 Ų | 72 | 135.9 Ų | 135.9 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -65.6 | 133 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N378 | N378-G380 PolarHBondContact O-N 2.73Å; N378-G380 VanDerWaalsContact O-N 3.14Å | ||
| 381 | R | 36.3 | Very low | 32.6 | Very low | 236 Ų | 236 | 132.5 Ų | 132.5 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -92.7 | 113.9 | 176 | 166.6 | -176.6 | 160.9 | -167.7 | -5.7 | 109.5 | ||||
| 382 | M | 28.3 | Very low | 33.2 | Very low | 185 Ų | 185 | 130.4 Ų | 130.4 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -134.4 | 160 | 170.3 | -75 | -165.8 | 166.9 | 0 | 0 | 112.2 | ||||
| 383 | L | 34.6 | Very low | 34.2 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -126.6 | 143.1 | -176.7 | -79.4 | 165.5 | 0 | 0 | 0 | 109.1 | ||||
| 384 | A | 34.7 | Very low | 35.4 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 61.2 | 166.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 385 | D | 30.5 | Very low | 36.7 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | cis | -143.7 | 167.6 | -8.6 | -156.3 | -11 | 0 | 0 | 0 | 108.7 | ||||
| 386 | S | 31.6 | Very low | 38.4 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 169.2 | 112.8 | 142.4 | -80.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 387 | S | 42 | Very low | 40.2 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -66.4 | 123.2 | 152.7 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 388 | N | 39.6 | Very low | 41.9 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | trans | -171.7 | 106.6 | 144.7 | -99.6 | -29 | 0 | 0 | 0 | 112.3 | ||||
| 389 | A | 34.3 | Very low | 44 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | trans | -158 | 98 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109 | G391 | A389-G391 PolarHBondContact O-N 2.88Š| ||
| 390 | V | 47.5 | Very low | 45.8 | Very low | 152 Ų | 152 | 113.7 Ų | 113.7 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | trans | -77.3 | 106.5 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 391 | G | 37 | Very low | 48.1 | Very low | 51 Ų | 51 | 112.4 Ų | 112.4 | 53% | 0.526 | 65% | 0.646 | S | S | . | * | trans | -117.9 | 154.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A389 | A389-G391 PolarHBondContact O-N 2.88Š| ||
| 392 | P | 43.5 | Very low | 50.4 | Low | 92 Ų | 92 | 101.5 Ų | 101.5 | 60% | 0.597 | 61% | 0.607 | S | S | * | * | trans | -63.9 | 147.1 | -174.9 | 25.3 | -33.8 | 0 | 0 | 0 | 112.9 | T394 | P392-T394 PolarHBondContact O-N 2.85Š| ||
| 393 | P | 49.6 | Very low | 53 | Low | 132 Ų | 132 | 95.4 Ų | 95.4 | 86% | 0.857 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 20.1 | -157.6 | 31.7 | -38.9 | 0 | 0 | 0 | 116.2 | ||
| 394 | T | 52.2 | Low | 55.2 | Low | 88 Ų | 88 | 90.7 Ų | 90.7 | 54% | 0.54 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | 8.3 | -171 | 48.9 | 0 | 0 | 0 | 0 | 114.8 | P392 P406 | P392-T394 PolarHBondContact O-N 2.85Å; T394-P406 VanDerWaalsContact OG1-CG 3.26Å; T394-P406 WeakPolarHBondContact OG1-CG 3.01Å |
| 395 | T | 53.8 | Low | 57.4 | Low | 54 Ų | 54 | 88.8 Ų | 88.8 | 33% | 0.331 | 53% | 0.526 | S | S | . | . | trans | -94.6 | 127.4 | 174.1 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | I404 L405 | T395-I404 WeakPolarHBondContact CA-O 3.49Å; T395-L405 HydrophobicContact CG2-CD2 3.87Å | ||
| 396 | V | 66.4 | Low | 59.4 | Low | 93 Ų | 93 | 86.1 Ų | 86.1 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 111.7 | 174.9 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | V398 I404 | V396-V398 PolarHBondContact O-N 3.28Å; V396-I404 HydrophobicContact CB-CB 4.34Å; V396-I404 PolarHBondContact N-O 3.03Å; V396-I404 PolarHBondContact O-N 3.02Å |
| 397 | R | 63.7 | Low | 61.5 | Low | 162 Ų | 162 | 86 Ų | 86 | 61% | 0.611 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 117.4 | 175 | -171.7 | 174.6 | -161.4 | -179.7 | 10 | 109.9 | T399 H400 F403 | R397-T399 WeakPolarHBondContact CG-O 3.41Å; R397-T399 PolarHBondContact NE-O 3.22Å; R397-H400 PolarHBondContact NH2-O 3.27Å; R397-F403 HydrophobicContact CB-CD1 4.04Å; R397-F403 HydrophobicContact CB-CE1 4.24Å; R397-F403 HydrophobicContact CG-CD1 3.89Å; R397-F403 HydrophobicContact CG-CE1 3.71Å |
| 398 | V | 65.5 | Low | 63 | Low | 82 Ų | 82 | 88.1 Ų | 88.1 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | trans | -98.8 | -40 | -178.4 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | V396 C402 I404 | V396-V398 PolarHBondContact O-N 3.28Å; V398-C402 PolarHBondContact N-O 3.29Å; V398-C402 VanDerWaalsContact N-O 3.09Å; V398-I404 HydrophobicContact CG2-CD1 3.56Å; V398-I404 HydrophobicContact CG2-CG1 3.72Å | ||
| 399 | T | 71.9 | Confident | 64.7 | Low | 12 Ų | 12 | 82.7 Ų | 82.7 | 7% | 0.074 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -133.8 | -177.4 | 167.7 | 77.2 | 0 | 0 | 0 | 0 | 110.6 | R397 K401 C402 H426 Y429 I430 | R397-T399 WeakPolarHBondContact CG-O 3.41Å; R397-T399 PolarHBondContact NE-O 3.22Å; T399-K401 PolarHBondContact O-N 3.07Å; T399-K401 PolarHBondContact OG1-N 3.45Å; T399-C402 PolarHBondContact N-O 2.9Å; T399-C402 PolarHBondContact OG1-N 2.79Å; T399-C402 VanDerWaalsContact OG1-N 3.12Å; T399-H426 PolarHBondContact OG1-CE1 2.94Å; T399-H426 VanDerWaalsContact OG1-CE1 3.3Å; T399-H426 PolarHBondContact OG1-NE2 2.93Å; T399-Y429 HydrophobicContact CG2-CE1 4.37Å; T399-I430 HydrophobicContact CG2-CD1 3.9Å; T399-I430 HydrophobicContact CG2-CG1 3.5Å |
| 400 | H | 70.4 | Confident | 67.1 | Low | 100 Ų | 100 | 83.9 Ų | 83.9 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -65.1 | -26.5 | 174 | 60.8 | -82.2 | 0 | 0 | 0 | 113.1 | R397 | R397-H400 PolarHBondContact NH2-O 3.27Š|
| 401 | K | 77.6 | Confident | 68.7 | Low | 44 Ų | 44 | 82 Ų | 82 | 19% | 0.191 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -112.2 | -2.8 | -178.5 | -60.6 | -166.2 | 166.1 | -90.6 | 0 | 116.2 | T399 C412 E413 E415 L416 | T399-K401 PolarHBondContact O-N 3.07Å; T399-K401 PolarHBondContact OG1-N 3.45Å; K401-C412 WeakPolarHBondContact O-CA 3.4Å; K401-E413 WeakPolarHBondContact CA-OE1 3.37Å; K401-E413 HydrophobicContact CB-CB 4.3Å; K401-E413 HydrophobicContact CB-CG 4.14Å; K401-E413 VanDerWaalsContact CD-OE2 3.24Å; K401-E413 WeakPolarHBondContact CD-OE2 3.36Å; K401-E413 WeakPolarHBondContact CE-OE2 3.47Å; K401-E413 WeakPolarHBondContact CG-OE2 3.07Å; K401-E413 IonicContact NZ-OE2 2.65Å; K401-E413 PolarHBondContact NZ-OE2 2.87Å; K401-E413 PolarHBondContact O-N 3.17Å; K401-E415 IonicContact NZ-OE2 2.7Å; K401-E415 PolarHBondContact NZ-OE2 3.31Å; K401-L416 HydrophobicContact CB-CD1 3.79Å; K401-L416 HydrophobicContact CD-CD1 4.28Å; K401-L416 HydrophobicContact CD-CD2 4.03Å; K401-L416 HydrophobicContact CD-CG 4.1Å |
| 402 | C | 83.2 | Confident | 71.1 | Confident | 8 Ų | 8 | 80.4 Ų | 80.4 | 5% | 0.054 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 139 | -176.5 | -70.5 | 0 | 0 | 0 | 0 | 113.2 | V398 T399 H411 C412 H426 | V398-C402 PolarHBondContact N-O 3.29Å; V398-C402 VanDerWaalsContact N-O 3.09Å; T399-C402 PolarHBondContact N-O 2.9Å; T399-C402 PolarHBondContact OG1-N 2.79Å; T399-C402 VanDerWaalsContact OG1-N 3.12Å; C402-H411 CarbonylContact C-O 3.53Å; C402-H411 WeakPolarHBondContact CA-O 3.34Å; C402-C412 HydrophobicContact CB-CB 4.23Å; C402-C412 WeakPolarHBondContact CB-SG 3.27Å; C402-C412 WeakPolarHBondContact SG-CB 3.4Å; C402-C412 CovalentContact SG-SG 2.04Å; C402-C412 PolarHBondContact SG-SG 3.21Å; C402-H426 VanDerWaalsContact SG-CE1 3.57Å |
| 403 | F | 82.9 | Confident | 73.1 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 25% | 0.25 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142.2 | -170.8 | -50.9 | -95.9 | 0 | 0 | 0 | 110.3 | R397 H411 | R397-F403 HydrophobicContact CB-CD1 4.04Å; R397-F403 HydrophobicContact CB-CE1 4.24Å; R397-F403 HydrophobicContact CG-CD1 3.89Å; R397-F403 HydrophobicContact CG-CE1 3.71Å; F403-H411 PolarHBondContact N-O 3.06Å; F403-H411 PolarHBondContact O-N 3.38Å |
| 404 | I | 81.9 | Confident | 74.4 | Confident | 58 Ų | 58 | 82.8 Ų | 82.8 | 30% | 0.297 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124.6 | 165.6 | -65.8 | 167.7 | 0 | 0 | 0 | 107.6 | T395 V396 V398 I410 | T395-I404 WeakPolarHBondContact CA-O 3.49Å; V396-I404 HydrophobicContact CB-CB 4.34Å; V396-I404 PolarHBondContact N-O 3.03Å; V396-I404 PolarHBondContact O-N 3.02Å; V398-I404 HydrophobicContact CG2-CD1 3.56Å; V398-I404 HydrophobicContact CG2-CG1 3.72Å; I404-I410 HydrophobicContact CG1-CG1 4.44Å |
| 405 | L | 80.8 | Confident | 75.6 | Confident | 57 Ų | 57 | 83.7 Ų | 83.7 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | trans | -82.9 | 163.7 | 175.3 | -66.2 | 178.2 | 0 | 0 | 0 | 111.1 | T395 N407 D408 S409 H411 | T395-L405 HydrophobicContact CG2-CD2 3.87Å; L405-N407 VanDerWaalsContact CB-OD1 3.26Å; L405-N407 WeakPolarHBondContact CB-OD1 3.48Å; L405-N407 PolarHBondContact O-N 3.25Å; L405-D408 PolarHBondContact O-N 3.16Å; L405-S409 WeakPolarHBondContact CB-O 3.09Å; L405-S409 PolarHBondContact N-O 2.79Å; L405-H411 HydrophobicContact CD1-CB 4Å; L405-H411 HydrophobicContact CG-CB 4.17Å | ||
| 406 | P | 72.8 | Confident | 76.7 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 58% | 0.578 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 0.8 | -174.1 | -18.7 | 32.6 | 0 | 0 | 0 | 115.5 | T394 | T394-P406 VanDerWaalsContact OG1-CG 3.26Å; T394-P406 WeakPolarHBondContact OG1-CG 3.01Å |
| 407 | N | 75.7 | Confident | 77.4 | Confident | 111 Ų | 111 | 84.3 Ų | 84.3 | 59% | 0.594 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 23.4 | -179.7 | 66.6 | -14.5 | 0 | 0 | 0 | 111.9 | L405 S409 | L405-N407 VanDerWaalsContact CB-OD1 3.26Å; L405-N407 WeakPolarHBondContact CB-OD1 3.48Å; L405-N407 PolarHBondContact O-N 3.25Å; N407-S409 VanDerWaalsContact CG-OG 3.31Å; N407-S409 PolarHBondContact ND2-OG 2.89Å; N407-S409 PolarHBondContact O-N 2.76Å; N407-S409 WeakPolarHBondContact OD1-CB 3.37Å; N407-S409 PolarHBondContact OD1-N 2.83Å; N407-S409 PolarHBondContact OD1-OG 3.43Å |
| 408 | D | 72.6 | Confident | 78.1 | Confident | 147 Ų | 147 | 83.5 Ų | 83.5 | 79% | 0.786 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 56.5 | 7.8 | -173.8 | -66.7 | -34.2 | 0 | 0 | 0 | 115.7 | L405 | L405-D408 PolarHBondContact O-N 3.16Š|
| 409 | S | 74.7 | Confident | 79.1 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 33% | 0.329 | 40% | 0.404 | S | S | . | . | trans | -81.6 | 142.6 | 174.7 | 74.9 | 0 | 0 | 0 | 0 | 111.5 | L405 N407 | L405-S409 WeakPolarHBondContact CB-O 3.09Å; L405-S409 PolarHBondContact N-O 2.79Å; N407-S409 VanDerWaalsContact CG-OG 3.31Å; N407-S409 PolarHBondContact ND2-OG 2.89Å; N407-S409 PolarHBondContact O-N 2.76Å; N407-S409 WeakPolarHBondContact OD1-CB 3.37Å; N407-S409 PolarHBondContact OD1-N 2.83Å; N407-S409 PolarHBondContact OD1-OG 3.43Å | ||
| 410 | I | 86.1 | Confident | 79.3 | Confident | 125 Ų | 125 | 85.7 Ų | 85.7 | 64% | 0.641 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.5 | -178.8 | -57.8 | 174.9 | 0 | 0 | 0 | 108.8 | I404 | I404-I410 HydrophobicContact CG1-CG1 4.44Å |
| 411 | H | 81 | Confident | 79.8 | Confident | 112 Ų | 112 | 89.9 Ų | 89.9 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.7 | 171.7 | -169.2 | 77.1 | 0 | 0 | 0 | 110.2 | C402 F403 L405 | C402-H411 CarbonylContact C-O 3.53Å; C402-H411 WeakPolarHBondContact CA-O 3.34Å; F403-H411 PolarHBondContact N-O 3.06Å; F403-H411 PolarHBondContact O-N 3.38Å; L405-H411 HydrophobicContact CD1-CB 4Å; L405-H411 HydrophobicContact CG-CB 4.17Å |
| 412 | C | 87.9 | Confident | 79.9 | Confident | 18 Ų | 18 | 89.6 Ų | 89.6 | 12% | 0.122 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144.9 | -179.2 | -73.4 | 0 | 0 | 0 | 0 | 109.9 | K401 C402 L416 Y417 | K401-C412 WeakPolarHBondContact O-CA 3.4Å; C402-C412 HydrophobicContact CB-CB 4.23Å; C402-C412 WeakPolarHBondContact CB-SG 3.27Å; C402-C412 WeakPolarHBondContact SG-CB 3.4Å; C402-C412 CovalentContact SG-SG 2.04Å; C402-C412 PolarHBondContact SG-SG 3.21Å; C412-L416 HydrophobicContact CB-CD1 4.02Å; C412-Y417 HydrophobicContact CB-CE2 3.85Å |
| 413 | E | 85.2 | Confident | 80.1 | Confident | 67 Ų | 67 | 95.3 Ų | 95.3 | 31% | 0.313 | 47% | 0.473 | S | S | . | . | trans | -55.7 | 136.9 | 179.6 | -71.1 | 171.5 | -161.8 | 0 | 0 | 112.8 | K401 E415 L416 | K401-E413 WeakPolarHBondContact CA-OE1 3.37Å; K401-E413 HydrophobicContact CB-CB 4.3Å; K401-E413 HydrophobicContact CB-CG 4.14Å; K401-E413 VanDerWaalsContact CD-OE2 3.24Å; K401-E413 WeakPolarHBondContact CD-OE2 3.36Å; K401-E413 WeakPolarHBondContact CE-OE2 3.47Å; K401-E413 WeakPolarHBondContact CG-OE2 3.07Å; K401-E413 IonicContact NZ-OE2 2.65Å; K401-E413 PolarHBondContact NZ-OE2 2.87Å; K401-E413 PolarHBondContact O-N 3.17Å; E413-E415 PolarHBondContact O-N 2.63Å; E413-E415 VanDerWaalsContact O-N 3.14Å; E413-L416 WeakPolarHBondContact O-CB 3.06Å; E413-L416 PolarHBondContact O-N 2.94Å | ||
| 414 | R | 77 | Confident | 80.1 | Confident | 207 Ų | 207 | 99.5 Ų | 99.5 | 78% | 0.781 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.5 | -170.8 | -155.9 | 176.4 | -164.6 | 174.1 | 5.3 | 113.6 | L416 Y417 Q418 | R414-L416 PolarHBondContact O-N 2.88Å; R414-Y417 PolarHBondContact O-N 2.92Å; R414-Y417 VanDerWaalsContact O-N 3.08Å; R414-Q418 PolarHBondContact O-N 3.03Å |
| 415 | E | 76 | Confident | 80.3 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -53 | -36.6 | 175.2 | -59.3 | 178.3 | 167.5 | 0 | 0 | 112.9 | K401 E413 Y417 Q418 | K401-E415 IonicContact NZ-OE2 2.7Å; K401-E415 PolarHBondContact NZ-OE2 3.31Å; E413-E415 PolarHBondContact O-N 2.63Å; E413-E415 VanDerWaalsContact O-N 3.14Å; E415-Y417 PolarHBondContact O-N 3.04Å; E415-Y417 VanDerWaalsContact O-N 3.15Å; E415-Q418 PolarHBondContact O-N 3.01Å; E415-Q418 VanDerWaalsContact O-N 3.12Å |
| 416 | L | 78.4 | Confident | 80.4 | Confident | 11 Ų | 11 | 99.5 Ų | 99.5 | 6% | 0.058 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -62.6 | -22.2 | -179.6 | -71.1 | 170.6 | 0 | 0 | 0 | 113.1 | K401 C412 E413 R414 W423 H426 | K401-L416 HydrophobicContact CB-CD1 3.79Å; K401-L416 HydrophobicContact CD-CD1 4.28Å; K401-L416 HydrophobicContact CD-CD2 4.03Å; K401-L416 HydrophobicContact CD-CG 4.1Å; C412-L416 HydrophobicContact CB-CD1 4.02Å; E413-L416 WeakPolarHBondContact O-CB 3.06Å; E413-L416 PolarHBondContact O-N 2.94Å; R414-L416 PolarHBondContact O-N 2.88Å; L416-W423 WeakPolarHBondContact O-CA 3.42Å; L416-W423 VanDerWaalsContact O-CB 3.28Å; L416-W423 WeakPolarHBondContact O-CB 2.99Å; L416-H426 HydrophobicContact CD2-CB 3.47Å; L416-H426 VanDerWaalsContact CD2-CB 3.47Å |
| 417 | Y | 80.8 | Confident | 81.1 | Confident | 148 Ų | 148 | 99.4 Ų | 99.4 | 58% | 0.58 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -103 | -7.8 | 179.4 | -57 | -78.9 | 0 | 0 | 0 | 113.1 | C412 R414 E415 | C412-Y417 HydrophobicContact CB-CE2 3.85Å; R414-Y417 PolarHBondContact O-N 2.92Å; R414-Y417 VanDerWaalsContact O-N 3.08Å; E415-Y417 PolarHBondContact O-N 3.04Å; E415-Y417 VanDerWaalsContact O-N 3.15Å |
| 418 | Q | 78.3 | Confident | 81.5 | Confident | 145 Ų | 145 | 96 Ų | 96 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -82 | -18.6 | 178.2 | -71.7 | 172.4 | -20.9 | 0 | 0 | 113.1 | R414 E415 | R414-Q418 PolarHBondContact O-N 3.03Å; E415-Q418 PolarHBondContact O-N 3.01Å; E415-Q418 VanDerWaalsContact O-N 3.12Å |
| 419 | S | 85.4 | Confident | 82.2 | Confident | 54 Ų | 54 | 93.9 Ų | 93.9 | 38% | 0.378 | 45% | 0.451 | S | S | . | . | trans | -135.5 | 121.4 | 177.7 | 173 | 0 | 0 | 0 | 0 | 111.2 | R421 A422 W423 | S419-R421 PolarHBondContact O-N 3.2Å; S419-R421 VanDerWaalsContact O-N 3.14Å; S419-R421 PolarHBondContact OG-N 3.11Å; S419-A422 PolarHBondContact O-N 2.83Å; S419-A422 VanDerWaalsContact O-N 3.11Å; S419-A422 PolarHBondContact OG-N 2.03Å; S419-W423 PolarHBondContact O-N 2.9Å | ||
| 420 | A | 77.6 | Confident | 82.7 | Confident | 87 Ų | 87 | 93.9 Ų | 93.9 | 72% | 0.719 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.9 | -25.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K424 | A420-K424 WeakPolarHBondContact O-CB 3.48Å; A420-K424 PolarHBondContact O-N 3.13Å; A420-K424 VanDerWaalsContact O-N 3.15Å |
| 421 | R | 80.8 | Confident | 82.5 | Confident | 187 Ų | 187 | 91.5 Ų | 91.5 | 71% | 0.706 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -73.9 | -49.3 | 173.9 | -171.3 | 171.1 | -174.5 | 160.5 | 2.6 | 111.4 | S419 W423 K424 D425 | S419-R421 PolarHBondContact O-N 3.2Å; S419-R421 VanDerWaalsContact O-N 3.14Å; S419-R421 PolarHBondContact OG-N 3.11Å; R421-W423 VanDerWaalsContact C-N 3.29Å; R421-W423 PolarHBondContact O-N 3.34Å; R421-K424 PolarHBondContact O-N 2.89Å; R421-K424 VanDerWaalsContact O-N 3.15Å; R421-D425 WeakPolarHBondContact CG-OD2 3.38Å; R421-D425 WeakPolarHBondContact O-CB 3.34Å; R421-D425 VanDerWaalsContact O-CG 3.25Å; R421-D425 PolarHBondContact O-N 2.93Å |
| 422 | A | 78.7 | Confident | 82.7 | Confident | 38 Ų | 38 | 93 Ų | 93 | 31% | 0.314 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.6 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S419 H426 | S419-A422 PolarHBondContact O-N 2.83Å; S419-A422 VanDerWaalsContact O-N 3.11Å; S419-A422 PolarHBondContact OG-N 2.03Å; A422-H426 WeakPolarHBondContact O-CB 3.5Å; A422-H426 PolarHBondContact O-N 3.29Å |
| 423 | W | 86.9 | Confident | 82.5 | Confident | 129 Ų | 129 | 96.4 Ų | 96.4 | 49% | 0.489 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.6 | -52 | 172.3 | -174.4 | 82.4 | 0 | 0 | 0 | 112.2 | L416 S419 R421 H426 K427 | L416-W423 WeakPolarHBondContact O-CA 3.42Å; L416-W423 VanDerWaalsContact O-CB 3.28Å; L416-W423 WeakPolarHBondContact O-CB 2.99Å; S419-W423 PolarHBondContact O-N 2.9Å; R421-W423 VanDerWaalsContact C-N 3.29Å; R421-W423 PolarHBondContact O-N 3.34Å; W423-H426 PolarHBondContact O-N 3.34Å; W423-K427 HydrophobicContact CH2-CD 3.99Å; W423-K427 HydrophobicContact CZ2-CD 4.42Å; W423-K427 HydrophobicContact CZ3-CD 4.32Å; W423-K427 WeakPolarHBondContact O-CB 3.48Å; W423-K427 PolarHBondContact O-N 3.16Å |
| 424 | K | 84.3 | Confident | 82.6 | Confident | 144 Ų | 144 | 97.1 Ų | 97.1 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | -177.8 | -174.1 | 177.5 | -179.8 | -179.7 | 0 | 111.8 | A420 R421 K427 A428 | A420-K424 WeakPolarHBondContact O-CB 3.48Å; A420-K424 PolarHBondContact O-N 3.13Å; A420-K424 VanDerWaalsContact O-N 3.15Å; R421-K424 PolarHBondContact O-N 2.89Å; R421-K424 VanDerWaalsContact O-N 3.15Å; K424-K427 PolarHBondContact O-N 3.28Å; K424-A428 WeakPolarHBondContact O-CB 3.26Å; K424-A428 PolarHBondContact O-N 3.14Å |
| 425 | D | 84.5 | Confident | 83 | Confident | 92 Ų | 92 | 94 Ų | 94 | 49% | 0.492 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.8 | -42.1 | -178.9 | -66.2 | -21.7 | 0 | 0 | 0 | 111.3 | R421 A428 Y429 | R421-D425 WeakPolarHBondContact CG-OD2 3.38Å; R421-D425 WeakPolarHBondContact O-CB 3.34Å; R421-D425 VanDerWaalsContact O-CG 3.25Å; R421-D425 PolarHBondContact O-N 2.93Å; D425-A428 PolarHBondContact O-N 3.49Å; D425-Y429 PolarHBondContact O-N 3.31Å |
| 426 | H | 84.4 | Confident | 83.5 | Confident | 23 Ų | 23 | 91.5 Ų | 91.5 | 11% | 0.106 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -70.7 | -35.4 | 175.4 | -174.2 | -103.7 | 0 | 0 | 0 | 112.8 | T399 C402 L416 A422 W423 Y429 I430 | T399-H426 PolarHBondContact OG1-CE1 2.94Å; T399-H426 VanDerWaalsContact OG1-CE1 3.3Å; T399-H426 PolarHBondContact OG1-NE2 2.93Å; C402-H426 VanDerWaalsContact SG-CE1 3.57Å; L416-H426 HydrophobicContact CD2-CB 3.47Å; L416-H426 VanDerWaalsContact CD2-CB 3.47Å; A422-H426 WeakPolarHBondContact O-CB 3.5Å; A422-H426 PolarHBondContact O-N 3.29Å; W423-H426 PolarHBondContact O-N 3.34Å; H426-Y429 WeakPolarHBondContact O-CB 3.41Å; H426-Y429 PolarHBondContact O-N 2.96Å; H426-I430 PolarHBondContact O-N 2.89Å |
| 427 | K | 87.6 | Confident | 83.9 | Confident | 87 Ų | 87 | 95 Ų | 95 | 38% | 0.378 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 170.7 | -169.3 | -157.5 | 175.8 | -58.4 | 0 | 110.9 | W423 K424 Y429 I430 D431 | W423-K427 HydrophobicContact CH2-CD 3.99Å; W423-K427 HydrophobicContact CZ2-CD 4.42Å; W423-K427 HydrophobicContact CZ3-CD 4.32Å; W423-K427 WeakPolarHBondContact O-CB 3.48Å; W423-K427 PolarHBondContact O-N 3.16Å; K424-K427 PolarHBondContact O-N 3.28Å; K427-Y429 PolarHBondContact O-N 3.48Å; K427-I430 WeakPolarHBondContact O-CB 3.49Å; K427-I430 PolarHBondContact O-N 2.8Å; K427-I430 VanDerWaalsContact O-N 3.1Å; K427-D431 IonicContact NZ-OD1 3.33Å; K427-D431 PolarHBondContact NZ-OD1 3.16Å; K427-D431 IonicContact NZ-OD2 2.89Å; K427-D431 PolarHBondContact NZ-OD2 3.48Å; K427-D431 VanDerWaalsContact O-CG 3.26Å; K427-D431 PolarHBondContact O-N 3.38Å |
| 428 | A | 83.8 | Confident | 84 | Confident | 39 Ų | 39 | 93.9 Ų | 93.9 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.3 | -25.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K424 D425 K432 | K424-A428 WeakPolarHBondContact O-CB 3.26Å; K424-A428 PolarHBondContact O-N 3.14Å; D425-A428 PolarHBondContact O-N 3.49Å; A428-K432 WeakPolarHBondContact O-CD 3.47Å; A428-K432 VanDerWaalsContact O-CG 3.31Å; A428-K432 WeakPolarHBondContact O-CG 3.3Å; A428-K432 PolarHBondContact O-N 2.78Å |
| 429 | Y | 86.1 | Confident | 84.5 | Confident | 104 Ų | 104 | 90.6 Ų | 90.6 | 41% | 0.408 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.3 | -48.2 | 168.4 | 171.6 | -109.3 | 0 | 0 | 0 | 111.9 | T399 D425 H426 K427 D431 K432 E433 | T399-Y429 HydrophobicContact CG2-CE1 4.37Å; D425-Y429 PolarHBondContact O-N 3.31Å; H426-Y429 WeakPolarHBondContact O-CB 3.41Å; H426-Y429 PolarHBondContact O-N 2.96Å; K427-Y429 PolarHBondContact O-N 3.48Å; Y429-D431 PolarHBondContact O-N 2.8Å; Y429-K432 PolarHBondContact O-N 3.49Å; Y429-E433 PolarHBondContact O-N 3.17Å; Y429-E433 VanDerWaalsContact O-N 3.09Å |
| 430 | I | 85.3 | Confident | 84.6 | Confident | 46 Ų | 46 | 94.7 Ų | 94.7 | 24% | 0.236 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 175.4 | -71.9 | 164.1 | 0 | 0 | 0 | 111.6 | T399 H426 K427 K432 E433 I434 | T399-I430 HydrophobicContact CG2-CD1 3.9Å; T399-I430 HydrophobicContact CG2-CG1 3.5Å; H426-I430 PolarHBondContact O-N 2.89Å; K427-I430 WeakPolarHBondContact O-CB 3.49Å; K427-I430 PolarHBondContact O-N 2.8Å; K427-I430 VanDerWaalsContact O-N 3.1Å; I430-K432 VanDerWaalsContact C-N 3.25Å; I430-K432 PolarHBondContact O-N 3.4Å; I430-E433 PolarHBondContact O-N 2.9Å; I430-I434 HydrophobicContact CG2-CD1 3.7Å; I430-I434 HydrophobicContact CG2-CG1 4.38Å; I430-I434 WeakPolarHBondContact O-CG1 3.28Å; I430-I434 PolarHBondContact O-N 2.97Å |
| 431 | D | 81.8 | Confident | 85.2 | Confident | 76 Ų | 76 | 94.6 Ų | 94.6 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.6 | -39.1 | -179.1 | -64.4 | -33.7 | 0 | 0 | 0 | 111.6 | K427 Y429 E435 | K427-D431 IonicContact NZ-OD1 3.33Å; K427-D431 PolarHBondContact NZ-OD1 3.16Å; K427-D431 IonicContact NZ-OD2 2.89Å; K427-D431 PolarHBondContact NZ-OD2 3.48Å; K427-D431 VanDerWaalsContact O-CG 3.26Å; K427-D431 PolarHBondContact O-N 3.38Å; Y429-D431 PolarHBondContact O-N 2.8Å; D431-E435 PolarHBondContact O-N 2.94Å |
| 432 | K | 85.9 | Confident | 85.5 | Confident | 144 Ų | 144 | 91.4 Ų | 91.4 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -71.3 | -41.2 | 177.4 | -74.1 | 171.2 | -179 | 173.6 | 0 | 113.3 | A428 Y429 I430 I434 E435 A436 | A428-K432 WeakPolarHBondContact O-CD 3.47Å; A428-K432 VanDerWaalsContact O-CG 3.31Å; A428-K432 WeakPolarHBondContact O-CG 3.3Å; A428-K432 PolarHBondContact O-N 2.78Å; Y429-K432 PolarHBondContact O-N 3.49Å; I430-K432 VanDerWaalsContact C-N 3.25Å; I430-K432 PolarHBondContact O-N 3.4Å; K432-I434 VanDerWaalsContact C-N 3.28Å; K432-I434 PolarHBondContact O-N 2.86Å; K432-E435 PolarHBondContact O-N 3.12Å; K432-A436 PolarHBondContact O-N 3.23Å |
| 433 | E | 84.1 | Confident | 85.9 | Confident | 89 Ų | 89 | 93.7 Ų | 93.7 | 42% | 0.416 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 178.4 | -163.5 | 63.2 | -146 | 0 | 0 | 110.7 | Y429 I430 A436 L437 | Y429-E433 PolarHBondContact O-N 3.17Å; Y429-E433 VanDerWaalsContact O-N 3.09Å; I430-E433 PolarHBondContact O-N 2.9Å; E433-A436 PolarHBondContact O-N 3.49Å; E433-L437 HydrophobicContact CG-CD1 4.3Å; E433-L437 WeakPolarHBondContact O-CB 3.47Å; E433-L437 VanDerWaalsContact O-CG 3.28Å; E433-L437 WeakPolarHBondContact O-CG 3.39Å; E433-L437 PolarHBondContact O-N 3.11Å |
| 434 | I | 86 | Confident | 86 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 42% | 0.421 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 172 | -69.2 | 168.5 | 0 | 0 | 0 | 111.2 | I430 K432 L437 Q438 | I430-I434 HydrophobicContact CG2-CD1 3.7Å; I430-I434 HydrophobicContact CG2-CG1 4.38Å; I430-I434 WeakPolarHBondContact O-CG1 3.28Å; I430-I434 PolarHBondContact O-N 2.97Å; K432-I434 VanDerWaalsContact C-N 3.28Å; K432-I434 PolarHBondContact O-N 2.86Å; I434-L437 PolarHBondContact O-N 2.93Å; I434-Q438 HydrophobicContact CG2-CG 4.46Å; I434-Q438 VanDerWaalsContact CG2-NE2 3.27Å; I434-Q438 WeakPolarHBondContact O-CB 3.33Å; I434-Q438 VanDerWaalsContact O-CG 3.3Å; I434-Q438 WeakPolarHBondContact O-CG 3.41Å; I434-Q438 PolarHBondContact O-N 2.77Å |
| 435 | E | 86.5 | Confident | 86.1 | Confident | 140 Ų | 140 | 93.8 Ų | 93.8 | 65% | 0.654 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61 | -46.7 | 177.9 | -173.2 | 173.5 | -150.9 | 0 | 0 | 111.6 | D431 K432 L437 Q438 D439 | D431-E435 PolarHBondContact O-N 2.94Å; K432-E435 PolarHBondContact O-N 3.12Å; E435-L437 PolarHBondContact O-N 2.89Å; E435-Q438 PolarHBondContact O-N 3.33Å; E435-D439 PolarHBondContact O-N 2.92Å |
| 436 | A | 85.4 | Confident | 86.2 | Confident | 56 Ų | 56 | 95.7 Ų | 95.7 | 46% | 0.463 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K432 E433 K440 | K432-A436 PolarHBondContact O-N 3.23Å; E433-A436 PolarHBondContact O-N 3.49Å; A436-K440 WeakPolarHBondContact O-CB 3.33Å; A436-K440 PolarHBondContact O-N 3.5Å |
| 437 | L | 87.3 | Confident | 86.4 | Confident | 84 Ų | 84 | 98.4 Ų | 98.4 | 44% | 0.44 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 176.4 | -71.5 | 171.7 | 0 | 0 | 0 | 112.4 | E433 I434 E435 K440 I441 | E433-L437 HydrophobicContact CG-CD1 4.3Å; E433-L437 WeakPolarHBondContact O-CB 3.47Å; E433-L437 VanDerWaalsContact O-CG 3.28Å; E433-L437 WeakPolarHBondContact O-CG 3.39Å; E433-L437 PolarHBondContact O-N 3.11Å; I434-L437 PolarHBondContact O-N 2.93Å; E435-L437 PolarHBondContact O-N 2.89Å; L437-K440 PolarHBondContact O-N 2.79Å; L437-I441 WeakPolarHBondContact O-CB 3.39Å; L437-I441 VanDerWaalsContact O-CG1 3.28Å; L437-I441 WeakPolarHBondContact O-CG1 3.33Å; L437-I441 PolarHBondContact O-N 3.15Å |
| 438 | Q | 84.4 | Confident | 86.4 | Confident | 125 Ų | 125 | 101.8 Ų | 101.8 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -44.2 | 175.1 | -75.7 | -177.5 | 30.3 | 0 | 0 | 112 | I434 E435 I441 K442 | I434-Q438 HydrophobicContact CG2-CG 4.46Å; I434-Q438 VanDerWaalsContact CG2-NE2 3.27Å; I434-Q438 WeakPolarHBondContact O-CB 3.33Å; I434-Q438 VanDerWaalsContact O-CG 3.3Å; I434-Q438 WeakPolarHBondContact O-CG 3.41Å; I434-Q438 PolarHBondContact O-N 2.77Å; E435-Q438 PolarHBondContact O-N 3.33Å; Q438-I441 PolarHBondContact O-N 3.09Å; Q438-K442 WeakPolarHBondContact O-CB 3.36Å; Q438-K442 PolarHBondContact O-N 3.2Å |
| 439 | D | 87.2 | Confident | 86.3 | Confident | 77 Ų | 77 | 101.1 Ų | 101.1 | 41% | 0.412 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 176.8 | -115.7 | 9.7 | 0 | 0 | 0 | 111.8 | E435 K442 N443 | E435-D439 PolarHBondContact O-N 2.92Å; D439-K442 WeakPolarHBondContact O-CB 3.39Å; D439-K442 PolarHBondContact O-N 2.88Å; D439-K442 WeakPolarHBondContact OD1-CD 3.45Å; D439-K442 WeakPolarHBondContact OD1-CE 3.18Å; D439-K442 IonicContact OD1-NZ 3.52Å; D439-K442 PolarHBondContact OD1-NZ 3.02Å; D439-K442 IonicContact OD2-NZ 3.44Å; D439-N443 WeakPolarHBondContact O-CB 3.41Å; D439-N443 PolarHBondContact O-N 2.82Å; D439-N443 PolarHBondContact O-ND2 3.39Å |
| 440 | K | 88.3 | Confident | 86.1 | Confident | 139 Ų | 139 | 100.7 Ų | 100.7 | 60% | 0.604 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.7 | -43.1 | 171.1 | -164.6 | 172.1 | -174.6 | 176.1 | 0 | 112 | A436 L437 N443 L444 | A436-K440 WeakPolarHBondContact O-CB 3.33Å; A436-K440 PolarHBondContact O-N 3.5Å; L437-K440 PolarHBondContact O-N 2.79Å; K440-N443 PolarHBondContact O-N 2.76Å; K440-L444 HydrophobicContact CG-CD1 4.47Å; K440-L444 WeakPolarHBondContact O-CB 3.42Å; K440-L444 VanDerWaalsContact O-CG 3.3Å; K440-L444 WeakPolarHBondContact O-CG 3.28Å; K440-L444 PolarHBondContact O-N 3.27Å |
| 441 | I | 89.3 | Confident | 86 | Confident | 85 Ų | 85 | 104 Ų | 104 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 174.3 | -73 | 165.3 | 0 | 0 | 0 | 111.3 | L437 Q438 L444 R445 | L437-I441 WeakPolarHBondContact O-CB 3.39Å; L437-I441 VanDerWaalsContact O-CG1 3.28Å; L437-I441 WeakPolarHBondContact O-CG1 3.33Å; L437-I441 PolarHBondContact O-N 3.15Å; Q438-I441 PolarHBondContact O-N 3.09Å; I441-L444 PolarHBondContact O-N 3.27Å; I441-R445 HydrophobicContact CG2-CG 4.46Å; I441-R445 WeakPolarHBondContact O-CB 3.37Å; I441-R445 VanDerWaalsContact O-CG 3.24Å; I441-R445 WeakPolarHBondContact O-CG 3.43Å; I441-R445 PolarHBondContact O-N 2.82Å |
| 442 | K | 88.8 | Confident | 85.7 | Confident | 120 Ų | 120 | 108.5 Ų | 108.5 | 52% | 0.522 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 176.7 | 173.9 | 175.8 | 137 | -148.8 | 0 | 111.7 | Q438 D439 L444 R445 E446 | Q438-K442 WeakPolarHBondContact O-CB 3.36Å; Q438-K442 PolarHBondContact O-N 3.2Å; D439-K442 WeakPolarHBondContact O-CB 3.39Å; D439-K442 PolarHBondContact O-N 2.88Å; D439-K442 WeakPolarHBondContact OD1-CD 3.45Å; D439-K442 WeakPolarHBondContact OD1-CE 3.18Å; D439-K442 IonicContact OD1-NZ 3.52Å; D439-K442 PolarHBondContact OD1-NZ 3.02Å; D439-K442 IonicContact OD2-NZ 3.44Å; K442-L444 PolarHBondContact O-N 3.17Å; K442-R445 WeakPolarHBondContact O-CB 3.24Å; K442-R445 PolarHBondContact O-N 3.2Å; K442-E446 PolarHBondContact O-N 3.29Å |
| 443 | N | 86.3 | Confident | 85.3 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 46% | 0.46 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 175.5 | -65.2 | -18.7 | 0 | 0 | 0 | 111.5 | D439 K440 R445 E446 V447 | D439-N443 WeakPolarHBondContact O-CB 3.41Å; D439-N443 PolarHBondContact O-N 2.82Å; D439-N443 PolarHBondContact O-ND2 3.39Å; K440-N443 PolarHBondContact O-N 2.76Å; N443-R445 VanDerWaalsContact C-N 3.35Å; N443-R445 PolarHBondContact O-N 3.36Å; N443-E446 PolarHBondContact O-N 3.31Å; N443-V447 WeakPolarHBondContact O-CG2 3.5Å; N443-V447 PolarHBondContact O-N 3.23Å |
| 444 | L | 88.2 | Confident | 84.7 | Confident | 111 Ų | 111 | 115.3 Ų | 115.3 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.7 | -34.9 | 174.7 | -71.7 | 169.7 | 0 | 0 | 0 | 113 | K440 I441 K442 R448 | K440-L444 HydrophobicContact CG-CD1 4.47Å; K440-L444 WeakPolarHBondContact O-CB 3.42Å; K440-L444 VanDerWaalsContact O-CG 3.3Å; K440-L444 WeakPolarHBondContact O-CG 3.28Å; K440-L444 PolarHBondContact O-N 3.27Å; I441-L444 PolarHBondContact O-N 3.27Å; K442-L444 PolarHBondContact O-N 3.17Å; L444-R448 VanDerWaalsContact O-CB 3.25Å; L444-R448 WeakPolarHBondContact O-CB 3.41Å; L444-R448 PolarHBondContact O-N 3.25Å |
| 445 | R | 87 | Confident | 84 | Confident | 165 Ų | 165 | 117.9 Ų | 117.9 | 62% | 0.623 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65 | -38.5 | 172.4 | -75.2 | 169.1 | -177.8 | -166.8 | 3.3 | 111.7 | I441 K442 N443 G449 | I441-R445 HydrophobicContact CG2-CG 4.46Å; I441-R445 WeakPolarHBondContact O-CB 3.37Å; I441-R445 VanDerWaalsContact O-CG 3.24Å; I441-R445 WeakPolarHBondContact O-CG 3.43Å; I441-R445 PolarHBondContact O-N 2.82Å; K442-R445 WeakPolarHBondContact O-CB 3.24Å; K442-R445 PolarHBondContact O-N 3.2Å; N443-R445 VanDerWaalsContact C-N 3.35Å; N443-R445 PolarHBondContact O-N 3.36Å; R445-G449 PolarHBondContact O-N 3.45Å |
| 446 | E | 87.4 | Confident | 83 | Confident | 131 Ų | 131 | 116.1 Ų | 116.1 | 61% | 0.612 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -69.3 | -45.2 | 176.2 | -177.6 | 161.1 | -156.2 | 0 | 0 | 112.1 | K442 N443 R448 G449 H450 | K442-E446 PolarHBondContact O-N 3.29Å; N443-E446 PolarHBondContact O-N 3.31Å; E446-R448 PolarHBondContact O-N 2.66Å; E446-G449 CarbonylContact O-C 3.54Å; E446-G449 WeakPolarHBondContact O-CA 3.3Å; E446-G449 PolarHBondContact O-N 3.39Å; E446-H450 PolarHBondContact O-N 2.99Å |
| 447 | V | 87.3 | Confident | 81.6 | Confident | 81 Ų | 81 | 122.4 Ų | 122.4 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.7 | -46 | 172.8 | 172 | 0 | 0 | 0 | 0 | 110.9 | N443 G449 H450 L451 | N443-V447 WeakPolarHBondContact O-CG2 3.5Å; N443-V447 PolarHBondContact O-N 3.23Å; V447-G449 VanDerWaalsContact C-N 3.25Å; V447-G449 PolarHBondContact O-N 3.22Å; V447-H450 WeakPolarHBondContact O-CA 3.22Å; V447-H450 WeakPolarHBondContact O-CB 3.25Å; V447-H450 PolarHBondContact O-N 3.25Å; V447-L451 HydrophobicContact CG1-CD1 4.06Å; V447-L451 HydrophobicContact CG1-CG 4.42Å; V447-L451 WeakPolarHBondContact O-CG 3.42Å; V447-L451 PolarHBondContact O-N 3.43Å |
| 448 | R | 87.2 | Confident | 79.7 | Confident | 158 Ų | 158 | 125.8 Ų | 125.8 | 60% | 0.596 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.5 | -36.7 | 173.1 | -172.2 | -179.7 | 69.3 | 168.9 | 2.4 | 112 | L444 E446 K452 | L444-R448 VanDerWaalsContact O-CB 3.25Å; L444-R448 WeakPolarHBondContact O-CB 3.41Å; L444-R448 PolarHBondContact O-N 3.25Å; E446-R448 PolarHBondContact O-N 2.66Å; R448-K452 WeakPolarHBondContact O-CG 3.47Å; R448-K452 PolarHBondContact O-N 2.85Å |
| 449 | G | 81.7 | Confident | 77.7 | Confident | 25 Ų | 25 | 125.5 Ų | 125.5 | 26% | 0.258 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.5 | -30 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R445 E446 V447 R453 | R445-G449 PolarHBondContact O-N 3.45Å; E446-G449 CarbonylContact O-C 3.54Å; E446-G449 WeakPolarHBondContact O-CA 3.3Å; E446-G449 PolarHBondContact O-N 3.39Å; V447-G449 VanDerWaalsContact C-N 3.25Å; V447-G449 PolarHBondContact O-N 3.22Å; G449-R453 WeakPolarHBondContact O-CG 3.29Å; G449-R453 PolarHBondContact O-N 2.93Å; G449-R453 PolarHBondContact O-NE 2.9Å |
| 450 | H | 83.6 | Confident | 75.3 | Confident | 94 Ų | 94 | 127.3 Ų | 127.3 | 44% | 0.435 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.9 | -50.8 | 170.9 | -170.7 | 112.6 | 0 | 0 | 0 | 110.7 | E446 V447 K452 R453 R454 | E446-H450 PolarHBondContact O-N 2.99Å; V447-H450 WeakPolarHBondContact O-CA 3.22Å; V447-H450 WeakPolarHBondContact O-CB 3.25Å; V447-H450 PolarHBondContact O-N 3.25Å; H450-K452 VanDerWaalsContact C-N 3.31Å; H450-K452 PolarHBondContact O-N 3.41Å; H450-R453 CarbonylContact O-C 3.55Å; H450-R453 WeakPolarHBondContact O-CA 3.5Å; H450-R453 PolarHBondContact O-N 3.09Å; H450-R454 WeakPolarHBondContact NE2-CD 3.26Å; H450-R454 PolarHBondContact NE2-NE 3.17Å; H450-R454 PolarHBondContact O-N 3.48Å |
| 451 | L | 81.8 | Confident | 73.1 | Confident | 115 Ų | 115 | 126.3 Ų | 126.3 | 60% | 0.602 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58.3 | -40.4 | 178.9 | -67.7 | 171 | 0 | 0 | 0 | 111.9 | V447 R453 R454 K455 | V447-L451 HydrophobicContact CG1-CD1 4.06Å; V447-L451 HydrophobicContact CG1-CG 4.42Å; V447-L451 WeakPolarHBondContact O-CG 3.42Å; V447-L451 PolarHBondContact O-N 3.43Å; L451-R453 VanDerWaalsContact C-N 3.3Å; L451-R453 PolarHBondContact O-N 1.95Å; L451-R454 CarbonylContact O-C 3.59Å; L451-R454 PolarHBondContact O-N 3.42Å; L451-K455 PolarHBondContact O-N 2.93Å |
| 452 | K | 75.6 | Confident | 70.7 | Confident | 172 Ų | 172 | 127 Ų | 127 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.4 | -30 | 172 | -78.9 | -162.2 | 173.6 | -160.5 | 0 | 114.3 | R448 H450 | R448-K452 WeakPolarHBondContact O-CG 3.47Å; R448-K452 PolarHBondContact O-N 2.85Å; H450-K452 VanDerWaalsContact C-N 3.31Å; H450-K452 PolarHBondContact O-N 3.41Å |
| 453 | R | 77.2 | Confident | 68.1 | Low | 186 Ų | 186 | 131.5 Ų | 131.5 | 70% | 0.702 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -85.8 | -17.7 | 177.9 | -76.5 | 177.8 | -71.5 | 172.5 | -1.7 | 113.5 | G449 H450 L451 | G449-R453 WeakPolarHBondContact O-CG 3.29Å; G449-R453 PolarHBondContact O-N 2.93Å; G449-R453 PolarHBondContact O-NE 2.9Å; H450-R453 CarbonylContact O-C 3.55Å; H450-R453 WeakPolarHBondContact O-CA 3.5Å; H450-R453 PolarHBondContact O-N 3.09Å; L451-R453 VanDerWaalsContact C-N 3.3Å; L451-R453 PolarHBondContact O-N 1.95Å |
| 454 | R | 71.8 | Confident | 65.6 | Low | 190 Ų | 190 | 136.6 Ų | 136.6 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -116.8 | 28 | 175.5 | -69.6 | -153.8 | -176.5 | -106.9 | 6.3 | 112.8 | H450 L451 P456 | H450-R454 WeakPolarHBondContact NE2-CD 3.26Å; H450-R454 PolarHBondContact NE2-NE 3.17Å; H450-R454 PolarHBondContact O-N 3.48Å; L451-R454 CarbonylContact O-C 3.59Å; L451-R454 PolarHBondContact O-N 3.42Å; R454-P456 VanDerWaalsContact O-CD 3.25Å; R454-P456 WeakPolarHBondContact O-CD 3.44Å |
| 455 | K | 71.6 | Confident | 63 | Low | 135 Ų | 135 | 136.2 Ų | 136.2 | 59% | 0.587 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.6 | 170.8 | -167.1 | -147.1 | 169.3 | -167.9 | 0 | 107.7 | L451 E458 | L451-K455 PolarHBondContact O-N 2.93Å; K455-E458 IonicContact NZ-OE1 2.92Å; K455-E458 PolarHBondContact NZ-OE1 3.08Å |
| 456 | P | 66.1 | Low | 60.3 | Low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 148.4 | 168.8 | -18.4 | 32.9 | 0 | 0 | 0 | 109.9 | R454 | R454-P456 VanDerWaalsContact O-CD 3.25Å; R454-P456 WeakPolarHBondContact O-CD 3.44Å |
| 457 | E | 54.7 | Low | 57.6 | Low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -79 | 152 | 164.1 | -62.1 | -163.3 | 162.5 | 0 | 0 | 109.8 | C459 | E457-C459 PolarHBondContact O-N 2.96Š|
| 458 | E | 47.8 | Very low | 54.8 | Low | 154 Ų | 154 | 146.5 Ų | 146.5 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -79 | 119.8 | -165.7 | -77.3 | 150.9 | -141.2 | 0 | 0 | 111.6 | K455 S460 | K455-E458 IonicContact NZ-OE1 2.92Å; K455-E458 PolarHBondContact NZ-OE1 3.08Å; E458-S460 PolarHBondContact O-N 3.47Å; E458-S460 VanDerWaalsContact O-N 3.1Å |
| 459 | C | 42.4 | Very low | 52.2 | Low | 120 Ų | 120 | 146.8 Ų | 146.8 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | trans | -76.6 | 96.3 | -179.7 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | E457 C461 | E457-C459 PolarHBondContact O-N 2.96Å; C459-C461 PolarHBondContact O-N 3.45Å | ||
| 460 | S | 37.9 | Very low | 50 | Low | 115 Ų | 115 | 152.7 Ų | 152.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -76.5 | 64.3 | 178.4 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | E458 S462 | E458-S460 PolarHBondContact O-N 3.47Å; E458-S460 VanDerWaalsContact O-N 3.1Å; S460-S462 VanDerWaalsContact C-N 3.28Å; S460-S462 PolarHBondContact O-N 2.99Å | ||
| 461 | C | 41.6 | Very low | 47.5 | Very low | 118 Ų | 118 | 157.9 Ų | 157.9 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -77.1 | 71.1 | -179.5 | -161.7 | 0 | 0 | 0 | 0 | 112.3 | C459 | C459-C461 PolarHBondContact O-N 3.45Š| ||
| 462 | S | 39.3 | Very low | 45 | Very low | 100 Ų | 100 | 156 Ų | 156 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -165 | 88.6 | 170.6 | 45.4 | 0 | 0 | 0 | 0 | 114.9 | S460 | S460-S462 VanDerWaalsContact C-N 3.28Å; S460-S462 PolarHBondContact O-N 2.99Å | ||
| 463 | K | 34.6 | Very low | 42.9 | Very low | 214 Ų | 214 | 155 Ų | 155 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -173.3 | 150.7 | 132.2 | -101.5 | 155 | -170.5 | 179.3 | 0 | 111.9 | ||||
| 464 | Q | 32.3 | Very low | 40.9 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -81.2 | 163.2 | -174.6 | -74.4 | 150.1 | -69.1 | 0 | 0 | 113.2 | ||||
| 465 | S | 33.5 | Very low | 38.9 | Very low | 103 Ų | 103 | 156.8 Ų | 156.8 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -62 | 143.7 | 178 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 466 | Y | 30.4 | Very low | 36.9 | Very low | 236 Ų | 236 | 158.6 Ų | 158.6 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -146.6 | 147.5 | 142.9 | -106.3 | -78.6 | 0 | 0 | 0 | 110.5 | ||||
| 467 | Y | 30.5 | Very low | 35.2 | Very low | 213 Ų | 213 | 162.6 Ų | 162.6 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -75 | 146.1 | 178.2 | -84 | -106.7 | 0 | 0 | 0 | 111.9 | ||||
| 468 | N | 30.3 | Very low | 34.1 | Very low | 145 Ų | 145 | 162.4 Ų | 162.4 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | -171.3 | 174.5 | 113.4 | -108.4 | -66.8 | 0 | 0 | 0 | 116.6 | |||||
| 469 | K | 31.1 | Very low | 33.4 | Very low | 164 Ų | 164 | 162.9 Ų | 162.9 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | trans | -67.6 | 158.4 | -162.9 | -65.3 | 174 | 174.8 | -175.7 | 0 | 118.5 | ||||
| 470 | E | 36 | Very low | 33.1 | Very low | 148 Ų | 148 | 166.5 Ų | 166.5 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | trans | 43.3 | 107.8 | 137.7 | -64.3 | 166.8 | -138 | 0 | 0 | 120.7 | ||||
| 471 | K | 30.1 | Very low | 32.8 | Very low | 203 Ų | 203 | 166.4 Ų | 166.4 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | -174.8 | 145.6 | 100.4 | -95.8 | 157 | -172.2 | 173.9 | 0 | 110.2 | |||||
| 472 | G | 31.1 | Very low | 32.7 | Very low | 77 Ų | 77 | 169.2 Ų | 169.2 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -99.3 | 156.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 473 | V | 30 | Very low | 32.8 | Very low | 151 Ų | 151 | 170.2 Ų | 170.2 | 92% | 0.915 | 83% | 0.825 | S | S | * | * | trans | -148.2 | 148.9 | 154.2 | 143.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 474 | K | 35.6 | Very low | 33.3 | Very low | 202 Ų | 202 | 167.4 Ų | 167.4 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -72.8 | 139.3 | -168.7 | -57.5 | 168.4 | -176.8 | 173 | 0 | 113.4 | ||||
| 475 | K | 31.1 | Very low | 34 | Very low | 210 Ų | 210 | 162.7 Ų | 162.7 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -148.4 | 149.6 | 145.4 | -135.8 | 168.1 | -172.6 | 173.1 | 0 | 111.2 | ||||
| 476 | Q | 29.1 | Very low | 34.4 | Very low | 173 Ų | 173 | 166.7 Ų | 166.7 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 122.9 | -170.4 | -66.4 | 173.5 | -31 | 0 | 0 | 112.1 | ||
| 477 | E | 29.6 | Very low | 35.1 | Very low | 188 Ų | 188 | 162.3 Ų | 162.3 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 127.9 | 149.5 | -67.6 | -160.5 | 121.6 | 0 | 0 | 109.1 | ||
| 478 | K | 31.9 | Very low | 35.7 | Very low | 184 Ų | 184 | 157.5 Ų | 157.5 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 123 | 163.9 | -82.7 | -173.2 | 174 | -179.4 | 0 | 108.4 | ||
| 479 | L | 32.4 | Very low | 36.5 | Very low | 165 Ų | 165 | 152.9 Ų | 152.9 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 141.4 | 173.9 | -90 | 69.1 | 0 | 0 | 0 | 111.1 | S481 | L479-S481 PolarHBondContact O-N 3.24Å; L479-S481 VanDerWaalsContact O-N 3.13Å |
| 480 | K | 36.6 | Very low | 37.5 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -66.5 | 106.9 | 167.6 | -67.5 | 172.2 | -179 | 169.2 | 0 | 108.9 | H482 | K480-H482 PolarHBondContact O-N 2.91Š| ||
| 481 | S | 32.2 | Very low | 38.2 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -69.4 | 110.8 | 166.1 | 58.3 | 0 | 0 | 0 | 0 | 109.1 | L479 | L479-S481 PolarHBondContact O-N 3.24Å; L479-S481 VanDerWaalsContact O-N 3.13Å | ||
| 482 | H | 38.8 | Very low | 39.2 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 82% | 0.819 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 140.3 | 171.6 | -82.4 | -117.8 | 0 | 0 | 0 | 110.6 | K480 | K480-H482 PolarHBondContact O-N 2.91Š|
| 483 | L | 41.9 | Very low | 40.4 | Very low | 121 Ų | 121 | 144 Ų | 144 | 63% | 0.634 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -74 | 137.4 | 168.1 | -80.3 | 159.5 | 0 | 0 | 0 | 109.1 | ||
| 484 | H | 44.8 | Very low | 41.6 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -71 | 132.4 | 178.9 | -86.5 | -83.8 | 0 | 0 | 0 | 111.3 | F486 K487 | H484-F486 PolarHBondContact O-N 2.94Å; H484-K487 PolarHBondContact O-N 3.12Å |
| 485 | P | 46.3 | Very low | 42.6 | Very low | 93 Ų | 93 | 134 Ų | 134 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -52.4 | -31.1 | -174.2 | -31.8 | 35.9 | 0 | 0 | 0 | 116 | K487 E488 A489 | P485-K487 PolarHBondContact O-N 3.38Å; P485-E488 PolarHBondContact O-N 2.94Å; P485-A489 PolarHBondContact O-N 3.27Å; P485-A489 VanDerWaalsContact O-N 3.07Å |
| 486 | F | 42.2 | Very low | 44.3 | Very low | 187 Ų | 187 | 130 Ų | 130 | 82% | 0.82 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -63.8 | -20.3 | 179.4 | -85.1 | -86 | 0 | 0 | 0 | 114.8 | H484 A490 | H484-F486 PolarHBondContact O-N 2.94Å; F486-A490 WeakPolarHBondContact O-CB 3.5Å; F486-A490 PolarHBondContact O-N 3.04Å |
| 487 | K | 45.3 | Very low | 46.1 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -81.1 | -40.5 | 174.7 | -98.6 | -177.8 | 177.1 | 174.9 | 0 | 112.7 | H484 P485 A490 Q491 | H484-K487 PolarHBondContact O-N 3.12Å; P485-K487 PolarHBondContact O-N 3.38Å; K487-A490 PolarHBondContact O-N 3.07Å; K487-Q491 WeakPolarHBondContact O-CG 3.39Å; K487-Q491 PolarHBondContact O-N 2.91Å |
| 488 | E | 43.5 | Very low | 47.7 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.8 | -45.2 | 177.8 | -67 | 178 | 143.7 | 0 | 0 | 109.8 | P485 A490 Q491 E492 | P485-E488 PolarHBondContact O-N 2.94Å; E488-A490 VanDerWaalsContact C-N 3.3Å; E488-A490 PolarHBondContact O-N 3.29Å; E488-Q491 PolarHBondContact O-N 2.8Å; E488-E492 WeakPolarHBondContact O-CB 3.3Å; E488-E492 PolarHBondContact O-N 3.33Å |
| 489 | A | 47.9 | Very low | 49.5 | Very low | 48 Ų | 48 | 117.2 Ų | 117.2 | 40% | 0.397 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -56.4 | -40.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | P485 V493 | P485-A489 PolarHBondContact O-N 3.27Å; P485-A489 VanDerWaalsContact O-N 3.07Å; A489-V493 WeakPolarHBondContact O-CB 3.41Å; A489-V493 WeakPolarHBondContact O-CG2 3.46Å; A489-V493 PolarHBondContact O-N 2.84Å |
| 490 | A | 50.7 | Low | 51.3 | Low | 62 Ų | 62 | 115.2 Ų | 115.2 | 51% | 0.512 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.8 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F486 K487 E488 D494 | F486-A490 WeakPolarHBondContact O-CB 3.5Å; F486-A490 PolarHBondContact O-N 3.04Å; K487-A490 PolarHBondContact O-N 3.07Å; E488-A490 VanDerWaalsContact C-N 3.3Å; E488-A490 PolarHBondContact O-N 3.29Å; A490-D494 PolarHBondContact O-N 3.34Å |
| 491 | Q | 50.3 | Low | 53 | Low | 137 Ų | 137 | 111.5 Ų | 111.5 | 64% | 0.64 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.9 | -39.8 | 175.6 | -69.4 | -173.4 | -78.8 | 0 | 0 | 111.7 | K487 E488 D494 S495 | K487-Q491 WeakPolarHBondContact O-CG 3.39Å; K487-Q491 PolarHBondContact O-N 2.91Å; E488-Q491 PolarHBondContact O-N 2.8Å; Q491-D494 PolarHBondContact O-N 3.17Å; Q491-S495 VanDerWaalsContact O-CB 3.29Å; Q491-S495 WeakPolarHBondContact O-CB 3.36Å; Q491-S495 PolarHBondContact O-N 3.19Å; Q491-S495 PolarHBondContact O-OG 3.2Å; Q491-S495 VanDerWaalsContact O-OG 3.07Å |
| 492 | E | 52.3 | Low | 54.8 | Low | 110 Ų | 110 | 112.3 Ų | 112.3 | 51% | 0.514 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -46.6 | 175 | -163.8 | -158.5 | 149 | 0 | 0 | 110.6 | E488 D494 S495 K496 | E488-E492 WeakPolarHBondContact O-CB 3.3Å; E488-E492 PolarHBondContact O-N 3.33Å; E492-D494 PolarHBondContact O-N 2.97Å; E492-S495 PolarHBondContact O-N 3.09Å; E492-K496 WeakPolarHBondContact O-CB 3.5Å; E492-K496 PolarHBondContact O-N 3.09Å; E492-K496 IonicContact OE1-NZ 2.69Å; E492-K496 PolarHBondContact OE1-NZ 2.86Å |
| 493 | V | 55.3 | Low | 56.4 | Low | 96 Ų | 96 | 107.3 Ų | 107.3 | 58% | 0.582 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 178.4 | 166.7 | 0 | 0 | 0 | 0 | 112 | A489 K496 L497 | A489-V493 WeakPolarHBondContact O-CB 3.41Å; A489-V493 WeakPolarHBondContact O-CG2 3.46Å; A489-V493 PolarHBondContact O-N 2.84Å; V493-K496 PolarHBondContact O-N 3.32Å; V493-L497 VanDerWaalsContact O-CB 3.27Å; V493-L497 WeakPolarHBondContact O-CB 3.01Å; V493-L497 PolarHBondContact O-N 3.13Å |
| 494 | D | 56.2 | Low | 57.8 | Low | 80 Ų | 80 | 104.2 Ų | 104.2 | 43% | 0.428 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.6 | -37.3 | 178 | -163.5 | 39.2 | 0 | 0 | 0 | 112.1 | A490 Q491 E492 K496 L497 Q498 | A490-D494 PolarHBondContact O-N 3.34Å; Q491-D494 PolarHBondContact O-N 3.17Å; E492-D494 PolarHBondContact O-N 2.97Å; D494-K496 VanDerWaalsContact C-N 3.35Å; D494-K496 PolarHBondContact O-N 3.43Å; D494-L497 PolarHBondContact O-N 3.01Å; D494-Q498 WeakPolarHBondContact O-CB 3.33Å; D494-Q498 VanDerWaalsContact O-CG 3.31Å; D494-Q498 WeakPolarHBondContact O-CG 3.24Å; D494-Q498 PolarHBondContact O-N 2.9Å; D494-Q498 PolarHBondContact OD2-NE2 2.97Å |
| 495 | S | 57.2 | Low | 59 | Low | 64 Ų | 64 | 106.7 Ų | 106.7 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 170.2 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | Q491 E492 Q498 L499 | Q491-S495 VanDerWaalsContact O-CB 3.29Å; Q491-S495 WeakPolarHBondContact O-CB 3.36Å; Q491-S495 PolarHBondContact O-N 3.19Å; Q491-S495 PolarHBondContact O-OG 3.2Å; Q491-S495 VanDerWaalsContact O-OG 3.07Å; E492-S495 PolarHBondContact O-N 3.09Å; S495-Q498 PolarHBondContact O-N 3.12Å; S495-L499 WeakPolarHBondContact O-CB 3.46Å; S495-L499 PolarHBondContact O-N 3.29Å |
| 496 | K | 65.1 | Low | 60 | Low | 124 Ų | 124 | 109.8 Ų | 109.8 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.7 | -33.4 | 177.9 | -163 | 169.7 | -161.2 | 158.2 | 0 | 111 | E492 V493 D494 F500 | E492-K496 WeakPolarHBondContact O-CB 3.5Å; E492-K496 PolarHBondContact O-N 3.09Å; E492-K496 IonicContact OE1-NZ 2.69Å; E492-K496 PolarHBondContact OE1-NZ 2.86Å; V493-K496 PolarHBondContact O-N 3.32Å; D494-K496 VanDerWaalsContact C-N 3.35Å; D494-K496 PolarHBondContact O-N 3.43Å; K496-F500 VanDerWaalsContact O-CB 3.23Å; K496-F500 WeakPolarHBondContact O-CB 3.46Å; K496-F500 PolarHBondContact O-N 3.18Å |
| 497 | L | 66.8 | Low | 61.4 | Low | 72 Ų | 72 | 108 Ų | 108 | 38% | 0.377 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.2 | -38.1 | 170.4 | -178.6 | 61.6 | 0 | 0 | 0 | 112.3 | V493 D494 F500 K501 | V493-L497 VanDerWaalsContact O-CB 3.27Å; V493-L497 WeakPolarHBondContact O-CB 3.01Å; V493-L497 PolarHBondContact O-N 3.13Å; D494-L497 PolarHBondContact O-N 3.01Å; L497-F500 PolarHBondContact O-N 2.83Å; L497-K501 HydrophobicContact CG-CD 4.31Å; L497-K501 WeakPolarHBondContact O-CB 3.49Å; L497-K501 WeakPolarHBondContact O-CD 3.45Å; L497-K501 VanDerWaalsContact O-CG 3.26Å; L497-K501 WeakPolarHBondContact O-CG 3.37Å; L497-K501 PolarHBondContact O-N 2.79Å |
| 498 | Q | 64.7 | Low | 62.6 | Low | 110 Ų | 110 | 108.5 Ų | 108.5 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -49.4 | 172 | -72 | 177.9 | 33.5 | 0 | 0 | 110.8 | D494 S495 F500 K501 E502 | D494-Q498 WeakPolarHBondContact O-CB 3.33Å; D494-Q498 VanDerWaalsContact O-CG 3.31Å; D494-Q498 WeakPolarHBondContact O-CG 3.24Å; D494-Q498 PolarHBondContact O-N 2.9Å; D494-Q498 PolarHBondContact OD2-NE2 2.97Å; S495-Q498 PolarHBondContact O-N 3.12Å; Q498-F500 VanDerWaalsContact C-N 3.28Å; Q498-F500 PolarHBondContact O-N 3.47Å; Q498-K501 PolarHBondContact O-N 2.75Å; Q498-K501 VanDerWaalsContact O-N 3.12Å; Q498-E502 WeakPolarHBondContact O-CB 3.33Å; Q498-E502 PolarHBondContact O-N 3.3Å |
| 499 | L | 68.7 | Low | 64 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.9 | -36.9 | 171.6 | -92 | 159.3 | 0 | 0 | 0 | 112.7 | S495 N503 | S495-L499 WeakPolarHBondContact O-CB 3.46Å; S495-L499 PolarHBondContact O-N 3.29Å; L499-N503 WeakPolarHBondContact O-CB 3.41Å; L499-N503 VanDerWaalsContact O-CG 3.3Å; L499-N503 PolarHBondContact O-N 3.14Å; L499-N503 PolarHBondContact O-ND2 3.05Å |
| 500 | F | 71.5 | Confident | 65 | Low | 124 Ų | 124 | 110 Ų | 110 | 54% | 0.544 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.1 | -39.5 | 175.6 | -172.2 | -109.6 | 0 | 0 | 0 | 112.1 | K496 L497 Q498 N504 | K496-F500 VanDerWaalsContact O-CB 3.23Å; K496-F500 WeakPolarHBondContact O-CB 3.46Å; K496-F500 PolarHBondContact O-N 3.18Å; L497-F500 PolarHBondContact O-N 2.83Å; Q498-F500 VanDerWaalsContact C-N 3.28Å; Q498-F500 PolarHBondContact O-N 3.47Å; F500-N504 VanDerWaalsContact CD1-ND2 3.32Å; F500-N504 WeakPolarHBondContact CD1-ND2 3.2Å; F500-N504 WeakPolarHBondContact CE1-ND2 3.36Å; F500-N504 VanDerWaalsContact CZ-ND2 3.28Å; F500-N504 WeakPolarHBondContact CZ-ND2 3.48Å; F500-N504 VanDerWaalsContact O-CB 3.23Å; F500-N504 WeakPolarHBondContact O-CB 3.19Å; F500-N504 VanDerWaalsContact O-CG 3.28Å; F500-N504 PolarHBondContact O-N 2.88Å; F500-N504 PolarHBondContact O-ND2 3.49Å |
| 501 | K | 71.3 | Confident | 66 | Low | 117 Ų | 117 | 116.2 Ų | 116.2 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 173 | -73.6 | 164 | -178.8 | 167.6 | 0 | 111.6 | L497 Q498 N504 R505 | L497-K501 HydrophobicContact CG-CD 4.31Å; L497-K501 WeakPolarHBondContact O-CB 3.49Å; L497-K501 WeakPolarHBondContact O-CD 3.45Å; L497-K501 VanDerWaalsContact O-CG 3.26Å; L497-K501 WeakPolarHBondContact O-CG 3.37Å; L497-K501 PolarHBondContact O-N 2.79Å; Q498-K501 PolarHBondContact O-N 2.75Å; Q498-K501 VanDerWaalsContact O-N 3.12Å; K501-N504 PolarHBondContact O-N 2.96Å; K501-R505 PolarHBondContact O-N 3.46Å |
| 502 | E | 69.6 | Low | 66.6 | Low | 131 Ų | 131 | 116.8 Ų | 116.8 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.1 | -47.1 | 177.7 | -175 | 161 | -139.9 | 0 | 0 | 111.9 | Q498 N504 R505 R506 | Q498-E502 WeakPolarHBondContact O-CB 3.33Å; Q498-E502 PolarHBondContact O-N 3.3Å; E502-N504 PolarHBondContact O-N 3.47Å; E502-R505 CarbonylContact O-C 3.54Å; E502-R505 WeakPolarHBondContact O-CA 3.27Å; E502-R505 WeakPolarHBondContact O-CB 3.37Å; E502-R505 PolarHBondContact O-N 2.77Å; E502-R505 VanDerWaalsContact O-N 3.07Å; E502-R506 WeakPolarHBondContact O-CB 3.36Å; E502-R506 PolarHBondContact O-N 2.84Å |
| 503 | N | 73.1 | Confident | 67.1 | Low | 72 Ų | 72 | 114.8 Ų | 114.8 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -30.9 | 172.7 | -78 | -46.3 | 0 | 0 | 0 | 112.3 | L499 R507 | L499-N503 WeakPolarHBondContact O-CB 3.41Å; L499-N503 VanDerWaalsContact O-CG 3.3Å; L499-N503 PolarHBondContact O-N 3.14Å; L499-N503 PolarHBondContact O-ND2 3.05Å; N503-R507 WeakPolarHBondContact O-CB 3.23Å; N503-R507 VanDerWaalsContact O-CG 3.24Å; N503-R507 WeakPolarHBondContact O-CG 3.5Å; N503-R507 PolarHBondContact O-N 3.48Å |
| 504 | N | 71.6 | Confident | 67.5 | Low | 56 Ų | 56 | 116.7 Ų | 116.7 | 30% | 0.299 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75.1 | -33 | 171.5 | -78.9 | -47.5 | 0 | 0 | 0 | 113.1 | F500 K501 E502 K508 | F500-N504 VanDerWaalsContact CD1-ND2 3.32Å; F500-N504 WeakPolarHBondContact CD1-ND2 3.2Å; F500-N504 WeakPolarHBondContact CE1-ND2 3.36Å; F500-N504 VanDerWaalsContact CZ-ND2 3.28Å; F500-N504 WeakPolarHBondContact CZ-ND2 3.48Å; F500-N504 VanDerWaalsContact O-CB 3.23Å; F500-N504 WeakPolarHBondContact O-CB 3.19Å; F500-N504 VanDerWaalsContact O-CG 3.28Å; F500-N504 PolarHBondContact O-N 2.88Å; F500-N504 PolarHBondContact O-ND2 3.49Å; K501-N504 PolarHBondContact O-N 2.96Å; E502-N504 PolarHBondContact O-N 3.47Å; N504-K508 VanDerWaalsContact O-CB 3.27Å; N504-K508 WeakPolarHBondContact O-CB 3.42Å; N504-K508 VanDerWaalsContact O-CG 3.28Å; N504-K508 WeakPolarHBondContact O-CG 3.41Å; N504-K508 PolarHBondContact O-N 3.26Å |
| 505 | R | 69.3 | Low | 67.6 | Low | 206 Ų | 206 | 122.5 Ų | 122.5 | 78% | 0.777 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.5 | -45.9 | 167.6 | -82.5 | 179.5 | 166.4 | 179.8 | -4.1 | 111 | K501 E502 K508 K509 | K501-R505 PolarHBondContact O-N 3.46Å; E502-R505 CarbonylContact O-C 3.54Å; E502-R505 WeakPolarHBondContact O-CA 3.27Å; E502-R505 WeakPolarHBondContact O-CB 3.37Å; E502-R505 PolarHBondContact O-N 2.77Å; E502-R505 VanDerWaalsContact O-N 3.07Å; R505-K508 PolarHBondContact O-N 3.45Å; R505-K509 PolarHBondContact O-N 3.43Å |
| 506 | R | 67.9 | Low | 67.5 | Low | 157 Ų | 157 | 127.8 Ų | 127.8 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.8 | -51.3 | 177 | -177 | 174.7 | 176 | 157.3 | 4.3 | 111.5 | E502 K508 K509 E510 | E502-R506 WeakPolarHBondContact O-CB 3.36Å; E502-R506 PolarHBondContact O-N 2.84Å; R506-K508 VanDerWaalsContact C-N 3.3Å; R506-K508 PolarHBondContact O-N 3.17Å; R506-K509 CarbonylContact O-C 3.42Å; R506-K509 WeakPolarHBondContact O-CA 3.41Å; R506-K509 WeakPolarHBondContact O-CB 3.44Å; R506-K509 PolarHBondContact O-N 3.15Å; R506-E510 HydrophobicContact CG-CG 4.41Å; R506-E510 VanDerWaalsContact CG-OE1 3.23Å; R506-E510 WeakPolarHBondContact CG-OE1 3.01Å; R506-E510 IonicContact CZ-OE1 3.66Å; R506-E510 IonicContact NE-OE1 1.95Å; R506-E510 PolarHBondContact NE-OE1 3.44Å; R506-E510 IonicContact NH2-OE1 3.75Å; R506-E510 WeakPolarHBondContact O-CB 3.49Å; R506-E510 WeakPolarHBondContact O-CG 3.28Å; R506-E510 PolarHBondContact O-N 3.34Å |
| 507 | R | 72.1 | Confident | 67 | Low | 151 Ų | 151 | 127.3 Ų | 127.3 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.2 | -34 | 172.6 | -75.9 | 173.4 | 167.5 | -171.3 | -4.7 | 113 | N503 R511 | N503-R507 WeakPolarHBondContact O-CB 3.23Å; N503-R507 VanDerWaalsContact O-CG 3.24Å; N503-R507 WeakPolarHBondContact O-CG 3.5Å; N503-R507 PolarHBondContact O-N 3.48Å; R507-R511 VanDerWaalsContact O-CB 3.23Å; R507-R511 WeakPolarHBondContact O-CB 3.4Å; R507-R511 WeakPolarHBondContact O-CG 3.42Å; R507-R511 PolarHBondContact O-N 3.24Å |
| 508 | K | 69.4 | Low | 66.5 | Low | 153 Ų | 153 | 134.8 Ų | 134.8 | 67% | 0.665 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69 | -36.9 | 171.3 | -80.9 | -176.5 | 178.4 | -171.9 | 0 | 112.1 | N504 R505 R506 K512 | N504-K508 VanDerWaalsContact O-CB 3.27Å; N504-K508 WeakPolarHBondContact O-CB 3.42Å; N504-K508 VanDerWaalsContact O-CG 3.28Å; N504-K508 WeakPolarHBondContact O-CG 3.41Å; N504-K508 PolarHBondContact O-N 3.26Å; R505-K508 PolarHBondContact O-N 3.45Å; R506-K508 VanDerWaalsContact C-N 3.3Å; R506-K508 PolarHBondContact O-N 3.17Å; K508-K512 PolarHBondContact O-N 3Å; K508-K512 VanDerWaalsContact O-N 3.12Å |
| 509 | K | 72.4 | Confident | 65.8 | Low | 126 Ų | 126 | 137.4 Ų | 137.4 | 55% | 0.548 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.8 | -56.4 | 171.4 | -166.7 | -164 | 173.7 | -128.3 | 0 | 110 | R505 R506 R511 K512 E513 | R505-K509 PolarHBondContact O-N 3.43Å; R506-K509 CarbonylContact O-C 3.42Å; R506-K509 WeakPolarHBondContact O-CA 3.41Å; R506-K509 WeakPolarHBondContact O-CB 3.44Å; R506-K509 PolarHBondContact O-N 3.15Å; K509-R511 VanDerWaalsContact C-N 3.26Å; K509-R511 PolarHBondContact O-N 3.1Å; K509-K512 CarbonylContact O-C 3.53Å; K509-K512 WeakPolarHBondContact O-CA 3.02Å; K509-K512 WeakPolarHBondContact O-CB 3.39Å; K509-K512 PolarHBondContact O-N 3.48Å; K509-E513 WeakPolarHBondContact CE-OE1 3.5Å; K509-E513 IonicContact NZ-OE1 3.74Å; K509-E513 PolarHBondContact NZ-OE1 3.26Å; K509-E513 IonicContact NZ-OE2 3.9Å; K509-E513 PolarHBondContact NZ-OE2 2.85Å; K509-E513 VanDerWaalsContact NZ-OE2 3.16Å; K509-E513 WeakPolarHBondContact O-CB 3.22Å; K509-E513 PolarHBondContact O-N 2.87Å |
| 510 | E | 68.8 | Low | 64.7 | Low | 68 Ų | 68 | 135 Ų | 135 | 32% | 0.318 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -56.7 | -33.9 | 178.2 | -68.5 | 165.2 | 178.3 | 0 | 0 | 112.7 | R506 K514 | R506-E510 HydrophobicContact CG-CG 4.41Å; R506-E510 VanDerWaalsContact CG-OE1 3.23Å; R506-E510 WeakPolarHBondContact CG-OE1 3.01Å; R506-E510 IonicContact CZ-OE1 3.66Å; R506-E510 IonicContact NE-OE1 1.95Å; R506-E510 PolarHBondContact NE-OE1 3.44Å; R506-E510 IonicContact NH2-OE1 3.75Å; R506-E510 WeakPolarHBondContact O-CB 3.49Å; R506-E510 WeakPolarHBondContact O-CG 3.28Å; R506-E510 PolarHBondContact O-N 3.34Å; E510-K514 VanDerWaalsContact O-CB 3.28Å; E510-K514 WeakPolarHBondContact O-CB 3.23Å; E510-K514 WeakPolarHBondContact O-CG 3.25Å; E510-K514 PolarHBondContact O-N 2.94Å |
| 511 | R | 73.3 | Confident | 63.7 | Low | 191 Ų | 191 | 135.7 Ų | 135.7 | 72% | 0.721 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.8 | -34.9 | 171.7 | -78.6 | 175.4 | 178.2 | -165.8 | -0.7 | 113.1 | R507 K509 R515 | R507-R511 VanDerWaalsContact O-CB 3.23Å; R507-R511 WeakPolarHBondContact O-CB 3.4Å; R507-R511 WeakPolarHBondContact O-CG 3.42Å; R507-R511 PolarHBondContact O-N 3.24Å; K509-R511 VanDerWaalsContact C-N 3.26Å; K509-R511 PolarHBondContact O-N 3.1Å; R511-R515 WeakPolarHBondContact O-CB 3.34Å; R511-R515 WeakPolarHBondContact O-CG 3.4Å; R511-R515 PolarHBondContact O-N 3.1Å |
| 512 | K | 62.9 | Low | 63.1 | Low | 150 Ų | 150 | 138.6 Ų | 138.6 | 65% | 0.652 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.5 | -39.4 | 170.2 | -73.5 | -168.7 | 175.4 | -164.8 | 0 | 111.5 | K508 K509 R515 R516 | K508-K512 PolarHBondContact O-N 3Å; K508-K512 VanDerWaalsContact O-N 3.12Å; K509-K512 CarbonylContact O-C 3.53Å; K509-K512 WeakPolarHBondContact O-CA 3.02Å; K509-K512 WeakPolarHBondContact O-CB 3.39Å; K509-K512 PolarHBondContact O-N 3.48Å; K512-R515 PolarHBondContact O-N 2.94Å; K512-R516 WeakPolarHBondContact O-CG 3.37Å; K512-R516 PolarHBondContact O-N 3.43Å |
| 513 | E | 60.9 | Low | 63.2 | Low | 68 Ų | 68 | 133.7 Ų | 133.7 | 32% | 0.318 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.2 | -49.7 | 178.6 | -141.2 | 141.7 | -137.8 | 0 | 0 | 110.3 | K509 R515 R516 Q517 | K509-E513 WeakPolarHBondContact CE-OE1 3.5Å; K509-E513 IonicContact NZ-OE1 3.74Å; K509-E513 PolarHBondContact NZ-OE1 3.26Å; K509-E513 IonicContact NZ-OE2 3.9Å; K509-E513 PolarHBondContact NZ-OE2 2.85Å; K509-E513 VanDerWaalsContact NZ-OE2 3.16Å; K509-E513 WeakPolarHBondContact O-CB 3.22Å; K509-E513 PolarHBondContact O-N 2.87Å; E513-R515 VanDerWaalsContact C-N 3.32Å; E513-R515 PolarHBondContact O-N 3.39Å; E513-R516 WeakPolarHBondContact O-CB 3.39Å; E513-R516 PolarHBondContact O-N 2.95Å; E513-R516 VanDerWaalsContact O-N 3.12Å; E513-Q517 WeakPolarHBondContact O-CG 3.4Å; E513-Q517 PolarHBondContact O-N 3.28Å |
| 514 | K | 64.6 | Low | 63 | Low | 135 Ų | 135 | 134 Ų | 134 | 59% | 0.587 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.9 | -26.5 | 172.5 | -71.3 | 179.5 | 176.2 | -176.5 | 0 | 113.8 | E510 R518 | E510-K514 VanDerWaalsContact O-CB 3.28Å; E510-K514 WeakPolarHBondContact O-CB 3.23Å; E510-K514 WeakPolarHBondContact O-CG 3.25Å; E510-K514 PolarHBondContact O-N 2.94Å; K514-R518 VanDerWaalsContact O-CB 3.25Å; K514-R518 WeakPolarHBondContact O-CB 3.42Å; K514-R518 VanDerWaalsContact O-CG 3.23Å; K514-R518 WeakPolarHBondContact O-CG 3.33Å; K514-R518 PolarHBondContact O-N 3.36Å |
| 515 | R | 59 | Low | 63.1 | Low | 203 Ų | 203 | 135.8 Ų | 135.8 | 77% | 0.766 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.4 | -33.4 | 169.7 | -87.5 | -175.1 | 172 | -166.5 | -2.8 | 112.5 | R511 K512 E513 K519 | R511-R515 WeakPolarHBondContact O-CB 3.34Å; R511-R515 WeakPolarHBondContact O-CG 3.4Å; R511-R515 PolarHBondContact O-N 3.1Å; K512-R515 PolarHBondContact O-N 2.94Å; E513-R515 VanDerWaalsContact C-N 3.32Å; E513-R515 PolarHBondContact O-N 3.39Å; R515-K519 PolarHBondContact O-N 3.45Å |
| 516 | R | 55.4 | Low | 63.3 | Low | 175 Ų | 175 | 131.9 Ų | 131.9 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.9 | -53.2 | 171.6 | -71.9 | 167.6 | 170.2 | -172.5 | -9.4 | 110.7 | K512 E513 R518 K519 G520 | K512-R516 WeakPolarHBondContact O-CG 3.37Å; K512-R516 PolarHBondContact O-N 3.43Å; E513-R516 WeakPolarHBondContact O-CB 3.39Å; E513-R516 PolarHBondContact O-N 2.95Å; E513-R516 VanDerWaalsContact O-N 3.12Å; R516-R518 PolarHBondContact O-N 3.2Å; R516-K519 PolarHBondContact O-N 3.28Å; R516-G520 PolarHBondContact O-N 3.36Å |
| 517 | Q | 54.3 | Low | 63.6 | Low | 114 Ų | 114 | 126.7 Ų | 126.7 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -56.9 | -35.5 | 177.8 | -69.3 | 169.9 | -19.9 | 0 | 0 | 112.9 | E513 | E513-Q517 WeakPolarHBondContact O-CG 3.4Å; E513-Q517 PolarHBondContact O-N 3.28Å |
| 518 | R | 56 | Low | 64.1 | Low | 228 Ų | 228 | 120.7 Ų | 120.7 | 86% | 0.86 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -13.8 | 174.6 | -77.7 | 179.7 | 173.9 | -160.1 | -3 | 115.5 | K514 R516 | K514-R518 VanDerWaalsContact O-CB 3.25Å; K514-R518 WeakPolarHBondContact O-CB 3.42Å; K514-R518 VanDerWaalsContact O-CG 3.23Å; K514-R518 WeakPolarHBondContact O-CG 3.33Å; K514-R518 PolarHBondContact O-N 3.36Å; R516-R518 PolarHBondContact O-N 3.2Å |
| 519 | K | 48.8 | Very low | 64.8 | Low | 165 Ų | 165 | 115.3 Ų | 115.3 | 72% | 0.717 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -0.8 | 175.1 | -103 | -151 | 171.1 | -157.6 | 0 | 113.3 | R515 R516 D534 | R515-K519 PolarHBondContact O-N 3.45Å; R516-K519 PolarHBondContact O-N 3.28Å; K519-D534 IonicContact NZ-OD2 2.75Å |
| 520 | G | 46.9 | Very low | 65.5 | Low | 44 Ų | 44 | 110.8 Ų | 110.8 | 45% | 0.454 | 53% | 0.532 | S | S | . | . | trans | 81 | 145 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112 | R516 E522 | R516-G520 PolarHBondContact O-N 3.36Å; G520-E522 PolarHBondContact O-N 3.5Å | ||
| 521 | E | 50.6 | Low | 66.2 | Low | 139 Ų | 139 | 113 Ų | 113 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -88.6 | 37.9 | -178.5 | -61.3 | -169.8 | 147.7 | 0 | 0 | 112.3 | C523 | E521-C523 VanDerWaalsContact C-N 3.34Å; E521-C523 PolarHBondContact O-N 3.15Å |
| 522 | E | 58.8 | Low | 66.8 | Low | 178 Ų | 178 | 107.7 Ų | 107.7 | 83% | 0.832 | 53% | 0.53 | S | S | * | . | trans | -79.2 | -14.7 | -171.8 | -164.7 | 156.9 | -125.7 | 0 | 0 | 113.6 | G520 | G520-E522 PolarHBondContact O-N 3.5Š| ||
| 523 | C | 71.4 | Confident | 68 | Low | 28 Ų | 28 | 101 Ų | 101 | 19% | 0.189 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -129.6 | 63.8 | -179.5 | -170.4 | 0 | 0 | 0 | 0 | 113.3 | E521 F531 T532 C550 | E521-C523 VanDerWaalsContact C-N 3.34Å; E521-C523 PolarHBondContact O-N 3.15Å; C523-F531 PolarHBondContact SG-O 3.45Å; C523-F531 VanDerWaalsContact SG-O 3.37Å; C523-T532 WeakPolarHBondContact CB-OG1 3.5Å; C523-T532 PolarHBondContact SG-OG1 3.39Å; C523-C550 WeakPolarHBondContact CA-SG 3.26Å; C523-C550 HydrophobicContact CB-CB 3.63Å; C523-C550 WeakPolarHBondContact CB-SG 3.27Å; C523-C550 VanDerWaalsContact SG-CA 3.56Å; C523-C550 WeakPolarHBondContact SG-CB 3.33Å; C523-C550 CovalentContact SG-SG 2.04Å; C523-C550 PolarHBondContact SG-SG 3.02Å |
| 524 | S | 68.8 | Low | 69.2 | Low | 78 Ų | 78 | 100.1 Ų | 100.1 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | trans | -152.5 | 102.4 | 169.6 | 51.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 525 | L | 73.9 | Confident | 70.2 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | trans | -83.3 | 137.6 | 166.9 | -66.5 | -180 | 0 | 0 | 0 | 110.7 | G527 L528 C530 C552 | L525-G527 PolarHBondContact O-N 2.84Å; L525-L528 HydrophobicContact CB-CB 4.28Å; L525-L528 HydrophobicContact CB-CD1 4.01Å; L525-L528 HydrophobicContact CD1-CD1 3.9Å; L525-L528 PolarHBondContact O-N 2.88Å; L525-C530 PolarHBondContact N-SG 2.89Å; L525-C530 VanDerWaalsContact N-SG 3.45Å; L525-C552 HydrophobicContact CD1-CB 4.01Å | ||
| 526 | P | 71.7 | Confident | 71.4 | Confident | 124 Ų | 124 | 93.9 Ų | 93.9 | 81% | 0.805 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 130.7 | 177.9 | -26.8 | 35.4 | 0 | 0 | 0 | 112.8 | L528 | P526-L528 PolarHBondContact O-N 2.04Š|
| 527 | G | 75.7 | Confident | 72.7 | Confident | 47 Ų | 47 | 87.5 Ų | 87.5 | 49% | 0.485 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -14.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | L525 S555 | L525-G527 PolarHBondContact O-N 2.84Å; G527-S555 WeakPolarHBondContact O-CB 3.43Å; G527-S555 PolarHBondContact O-OG 2.79Å |
| 528 | L | 83.1 | Confident | 74.4 | Confident | 26 Ų | 26 | 82.3 Ų | 82.3 | 14% | 0.136 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -96.9 | 154.9 | 176.8 | -67.7 | 170 | 0 | 0 | 0 | 112 | W43 I44 L525 P526 C552 S554 | W43-L528 HydrophobicContact CH2-CD2 3.68Å; W43-L528 HydrophobicContact CH2-CG 4.29Å; W43-L528 HydrophobicContact CZ3-CD2 3.79Å; W43-L528 HydrophobicContact CZ3-CG 4.17Å; I44-L528 HydrophobicContact CD1-CD2 4.2Å; I44-L528 HydrophobicContact CG1-CD2 4.1Å; I44-L528 HydrophobicContact CG2-CD2 4.04Å; L525-L528 HydrophobicContact CB-CB 4.28Å; L525-L528 HydrophobicContact CB-CD1 4.01Å; L525-L528 HydrophobicContact CD1-CD1 3.9Å; L525-L528 PolarHBondContact O-N 2.88Å; P526-L528 PolarHBondContact O-N 2.04Å; L528-C552 HydrophobicContact CB-CB 4.24Å; L528-C552 HydrophobicContact CD1-CB 4.06Å; L528-S554 WeakPolarHBondContact CA-O 3.46Å; L528-S554 WeakPolarHBondContact CD2-O 3.1Å |
| 529 | T | 84.2 | Confident | 75.8 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 25% | 0.245 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 106.9 | 168.5 | 33.4 | 0 | 0 | 0 | 0 | 109.3 | S554 | T529-S554 PolarHBondContact N-O 3.37Å; T529-S554 PolarHBondContact OG1-O 2.94Å; T529-S554 PolarHBondContact OG1-OG 3Å |
| 530 | C | 85.8 | Confident | 77.5 | Confident | 30 Ų | 30 | 73.1 Ų | 73.1 | 20% | 0.203 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 150.6 | -177.6 | -52.1 | 0 | 0 | 0 | 0 | 112.6 | L525 A551 C552 | L525-C530 PolarHBondContact N-SG 2.89Å; L525-C530 VanDerWaalsContact N-SG 3.45Å; C530-A551 CarbonylContact C-O 3.59Å; C530-A551 VanDerWaalsContact CA-O 3.27Å; C530-A551 WeakPolarHBondContact CA-O 3.47Å; C530-C552 HydrophobicContact CB-CB 4.05Å; C530-C552 WeakPolarHBondContact CB-SG 3.47Å; C530-C552 WeakPolarHBondContact SG-CB 3.44Å; C530-C552 CovalentContact SG-SG 2.04Å; C530-C552 PolarHBondContact SG-SG 3.44Å |
| 531 | F | 84.4 | Confident | 79 | Confident | 116 Ų | 116 | 73.3 Ų | 73.3 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.6 | 177.3 | -57.3 | -86.1 | 0 | 0 | 0 | 109.5 | C523 A551 | C523-F531 PolarHBondContact SG-O 3.45Å; C523-F531 VanDerWaalsContact SG-O 3.37Å; F531-A551 PolarHBondContact N-O 2.04Å; F531-A551 PolarHBondContact O-N 3.46Å |
| 532 | T | 86.1 | Confident | 80.6 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 49% | 0.485 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.4 | 170.5 | -46.9 | 0 | 0 | 0 | 0 | 108.5 | C523 F549 | C523-T532 WeakPolarHBondContact CB-OG1 3.5Å; C523-T532 PolarHBondContact SG-OG1 3.39Å; T532-F549 WeakPolarHBondContact CA-O 3.3Å |
| 533 | H | 86.7 | Confident | 81.9 | Confident | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.037 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 140.4 | 164.2 | -68.2 | -71.2 | 0 | 0 | 0 | 108.1 | F58 H537 S548 F549 | F58-H533 HydrophobicContact CE2-CB 4.35Å; F58-H533 AromaticContact CZ-CE1 3.76Å; F58-H533 AromaticContact CZ-CG 3.8Å; F58-H533 AromaticContact CZ-ND1 3.58Å; H533-H537 AromaticContact CE1-CE1 3.69Å; H533-H537 AromaticContact CE1-ND1 3.62Å; H533-H537 AromaticContact ND1-CE1 3.84Å; H533-H537 AromaticContact ND1-CG 3.52Å; H533-H537 AromaticContact ND1-ND1 3Å; H533-H537 PolarHBondContact ND1-ND1 2.95Å; H533-S548 CarbonylContact O-C 3.4Å; H533-S548 WeakPolarHBondContact O-CA 3.39Å; H533-S548 VanDerWaalsContact O-CB 3.27Å; H533-S548 WeakPolarHBondContact O-CB 3.27Å; H533-F549 HydrophobicContact CB-CD1 4.01Å; H533-F549 HydrophobicContact CB-CE1 3.53Å; H533-F549 HydrophobicContact CB-CE2 4.33Å; H533-F549 HydrophobicContact CB-CZ 3.69Å; H533-F549 AromaticContact CD2-CE2 3.78Å; H533-F549 AromaticContact CD2-CZ 3.6Å; H533-F549 AromaticContact CG-CZ 3.8Å; H533-F549 PolarHBondContact N-O 2.98Å; H533-F549 PolarHBondContact O-N 3.27Å |
| 534 | D | 86.3 | Confident | 82.8 | Confident | 51 Ų | 51 | 64.8 Ų | 64.8 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | trans | -136 | 175.3 | 176.2 | 59.7 | 39 | 0 | 0 | 0 | 110 | K519 N536 H537 | K519-D534 IonicContact NZ-OD2 2.75Å; D534-N536 PolarHBondContact O-N 2.98Å; D534-N536 PolarHBondContact OD1-N 3.17Å; D534-H537 VanDerWaalsContact O-CB 3.26Å; D534-H537 WeakPolarHBondContact O-CB 3.48Å; D534-H537 PolarHBondContact O-N 2.86Å | ||
| 535 | N | 86.6 | Confident | 83.8 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -14.2 | -174.3 | -69.6 | 12.2 | 0 | 0 | 0 | 113.6 | W544 G547 | N535-W544 VanDerWaalsContact CA-O 3.26Å; N535-W544 WeakPolarHBondContact CA-O 3.41Å; N535-W544 VanDerWaalsContact CB-O 3.28Å; N535-W544 WeakPolarHBondContact CB-O 3.44Å; N535-G547 WeakPolarHBondContact OD1-CA 3.31Å; N535-G547 PolarHBondContact OD1-N 2.84Å; N535-G547 VanDerWaalsContact OD1-N 3.1Å |
| 536 | N | 83 | Confident | 84.4 | Confident | 136 Ų | 136 | 66.3 Ų | 66.3 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 14.9 | 179.5 | -57.9 | -3.7 | 0 | 0 | 0 | 112.3 | D534 W538 | D534-N536 PolarHBondContact O-N 2.98Å; D534-N536 PolarHBondContact OD1-N 3.17Å; N536-W538 VanDerWaalsContact C-N 3.33Å; N536-W538 PolarHBondContact O-N 2.79Å |
| 537 | H | 83.9 | Confident | 85.2 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -68.1 | -26 | -177.6 | -176.7 | 73 | 0 | 0 | 0 | 114.1 | E12 F58 K112 H533 D534 | E12-H537 IonicContact OE1-NE2 3.03Å; E12-H537 IonicContact OE2-CE1 3.11Å; E12-H537 IonicContact OE2-NE2 2.64Å; E12-H537 PolarHBondContact OE2-NE2 2.98Å; F58-H537 AromaticContact CE2-CD2 3.81Å; F58-H537 AromaticContact CZ-CD2 3.94Å; K112-H537 PolarHBondContact NZ-CE1 2.8Å; K112-H537 VanDerWaalsContact NZ-CE1 3.31Å; K112-H537 PolarHBondContact NZ-NE2 2.84Å; H533-H537 AromaticContact CE1-CE1 3.69Å; H533-H537 AromaticContact CE1-ND1 3.62Å; H533-H537 AromaticContact ND1-CE1 3.84Å; H533-H537 AromaticContact ND1-CG 3.52Å; H533-H537 AromaticContact ND1-ND1 3Å; H533-H537 PolarHBondContact ND1-ND1 2.95Å; D534-H537 VanDerWaalsContact O-CB 3.26Å; D534-H537 WeakPolarHBondContact O-CB 3.48Å; D534-H537 PolarHBondContact O-N 2.86Å |
| 538 | W | 89.3 | Confident | 85.8 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | trans | -128.9 | 136.1 | 172.6 | -64.7 | -55 | 0 | 0 | 0 | 110.5 | E12 F58 I61 L62 K65 N536 W544 | E12-W538 PolarHBondContact OE2-NE1 3.15Å; E12-W538 VanDerWaalsContact OE2-NE1 3.09Å; F58-W538 AromaticContact CD2-CH2 3.66Å; F58-W538 HydrophobicContact CD2-CH2 3.66Å; F58-W538 HydrophobicContact CD2-CZ2 4.45Å; F58-W538 HydrophobicContact CD2-CZ3 4.17Å; F58-W538 AromaticContact CE2-CH2 3.48Å; F58-W538 HydrophobicContact CE2-CH2 3.48Å; F58-W538 VanDerWaalsContact CE2-CH2 3.48Å; F58-W538 AromaticContact CE2-CZ2 3.85Å; F58-W538 HydrophobicContact CE2-CZ2 3.85Å; F58-W538 HydrophobicContact CE2-CZ3 4.11Å; F58-W538 HydrophobicContact CG-CH2 4.44Å; F58-W538 HydrophobicContact CZ-CH2 4.15Å; F58-W538 HydrophobicContact CZ-CZ2 4.13Å; I61-W538 HydrophobicContact CB-CH2 3.91Å; I61-W538 HydrophobicContact CB-CZ3 3.91Å; I61-W538 HydrophobicContact CG2-CE3 3.94Å; I61-W538 HydrophobicContact CG2-CH2 3.62Å; I61-W538 HydrophobicContact CG2-CZ2 4.42Å; I61-W538 HydrophobicContact CG2-CZ3 3.33Å; L62-W538 HydrophobicContact CB-CH2 4.37Å; L62-W538 HydrophobicContact CB-CZ2 4.08Å; L62-W538 HydrophobicContact CD1-CZ2 4.13Å; K65-W538 HydrophobicContact CG-CD2 4.15Å; K65-W538 HydrophobicContact CG-CZ2 4.19Å; N536-W538 VanDerWaalsContact C-N 3.33Å; N536-W538 PolarHBondContact O-N 2.79Å; W538-W544 HydrophobicContact CE3-CB 3.98Å; W538-W544 HydrophobicContact CZ3-CB 4.15Å; W538-W544 HydrophobicContact CZ3-CD2 4.47Å; W538-W544 AromaticContact CZ3-CE3 3.98Å; W538-W544 HydrophobicContact CZ3-CE3 3.98Å | ||
| 539 | Q | 85.9 | Confident | 86.1 | Confident | 165 Ų | 165 | 62.6 Ų | 62.6 | 77% | 0.771 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -94.1 | -7.5 | 179.2 | -59.6 | -175.3 | -4.8 | 0 | 0 | 113.2 | D13 F543 | D13-Q539 VanDerWaalsContact CG-N 3.26Å; D13-Q539 PolarHBondContact OD1-N 2.96Å; D13-Q539 PolarHBondContact OD2-N 3.08Å; Q539-F543 WeakPolarHBondContact O-CE1 3.23Å |
| 540 | T | 84.1 | Confident | 86.3 | Confident | 35 Ų | 35 | 62.5 Ų | 62.5 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -115.8 | 157.4 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | D13 K65 P542 | D13-T540 HydrophobicContact CB-CG2 4.02Å; D13-T540 WeakPolarHBondContact OD1-CB 3.4Å; D13-T540 PolarHBondContact OD1-N 3.21Å; D13-T540 PolarHBondContact OD1-OG1 2.9Å; K65-T540 VanDerWaalsContact NZ-C 3.31Å; K65-T540 PolarHBondContact NZ-O 3.42Å; K65-T540 PolarHBondContact NZ-OG1 2.7Å; T540-P542 CarbonylContact O-C 3.6Å |
| 541 | A | 79.7 | Confident | 86.4 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -66.6 | 148.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K65 F543 | K65-A541 PolarHBondContact NZ-O 3.11Å; A541-F543 HydrophobicContact CB-CD2 4.45Å; A541-F543 HydrophobicContact CB-CE2 4.15Å |
| 542 | P | 83.3 | Confident | 86.5 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | S | Bend | cis | -66.2 | 137.5 | -13.5 | 30.3 | -36.2 | 0 | 0 | 0 | 111.6 | I61 K65 T540 | I61-P542 HydrophobicContact CG2-CG 3.81Å; K65-P542 WeakPolarHBondContact CE-O 3.5Å; K65-P542 PolarHBondContact NZ-O 3.31Å; T540-P542 CarbonylContact O-C 3.6Å |
| 543 | F | 86.2 | Confident | 86.4 | Confident | 124 Ų | 124 | 53.2 Ų | 53.2 | 54% | 0.544 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 159.3 | 176.7 | -59.5 | -76.7 | 0 | 0 | 0 | 111.3 | Q539 A541 | Q539-F543 WeakPolarHBondContact O-CE1 3.23Å; A541-F543 HydrophobicContact CB-CD2 4.45Å; A541-F543 HydrophobicContact CB-CE2 4.15Å |
| 544 | W | 90 | Very high | 86.2 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 117.2 | 173.5 | -174.2 | -112.1 | 0 | 0 | 0 | 110.9 | I54 F58 I61 N535 W538 L546 G547 F549 | I54-W544 HydrophobicContact CD1-CZ2 4.03Å; I54-W544 HydrophobicContact CG1-CH2 3.9Å; I54-W544 HydrophobicContact CG1-CZ2 3.53Å; I54-W544 WeakPolarHBondContact O-CH2 3.44Å; F58-W544 HydrophobicContact CB-CH2 3.57Å; F58-W544 HydrophobicContact CB-CZ2 4.15Å; F58-W544 HydrophobicContact CB-CZ3 3.87Å; F58-W544 HydrophobicContact CD2-CD2 4.1Å; F58-W544 HydrophobicContact CD2-CE3 4.04Å; F58-W544 HydrophobicContact CD2-CH2 4.15Å; F58-W544 HydrophobicContact CD2-CZ2 4.19Å; F58-W544 HydrophobicContact CD2-CZ3 4.07Å; F58-W544 HydrophobicContact CG-CH2 4.37Å; F58-W544 HydrophobicContact CG-CZ3 4.48Å; I61-W544 HydrophobicContact CD1-CE3 4.11Å; I61-W544 HydrophobicContact CD1-CZ3 4.05Å; N535-W544 VanDerWaalsContact CA-O 3.26Å; N535-W544 WeakPolarHBondContact CA-O 3.41Å; N535-W544 VanDerWaalsContact CB-O 3.28Å; N535-W544 WeakPolarHBondContact CB-O 3.44Å; W538-W544 HydrophobicContact CE3-CB 3.98Å; W538-W544 HydrophobicContact CZ3-CB 4.15Å; W538-W544 HydrophobicContact CZ3-CD2 4.47Å; W538-W544 AromaticContact CZ3-CE3 3.98Å; W538-W544 HydrophobicContact CZ3-CE3 3.98Å; W544-L546 HydrophobicContact CH2-CB 3.95Å; W544-L546 HydrophobicContact CH2-CD1 3.78Å; W544-L546 HydrophobicContact CH2-CG 4.18Å; W544-L546 HydrophobicContact CZ2-CB 3.79Å; W544-L546 HydrophobicContact CZ2-CD1 4.47Å; W544-L546 HydrophobicContact CZ2-CG 4.5Å; W544-L546 HydrophobicContact CZ3-CB 4.5Å; W544-L546 HydrophobicContact CZ3-CD1 4.07Å; W544-L546 HydrophobicContact CZ3-CG 4.37Å; W544-G547 PolarHBondContact NE1-O 3.22Å; W544-F549 HydrophobicContact CH2-CE1 4.48Å; W544-F549 AromaticContact CZ2-CD1 3.88Å; W544-F549 HydrophobicContact CZ2-CD1 3.88Å; W544-F549 AromaticContact CZ2-CE1 3.67Å; W544-F549 HydrophobicContact CZ2-CE1 3.67Å |
| 545 | N | 89.4 | Confident | 86.1 | Confident | 117 Ų | 117 | 51.1 Ų | 51.1 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | trans | -120.7 | -6.5 | -174 | 64.2 | -11.7 | 0 | 0 | 0 | 114.7 | G547 | N545-G547 PolarHBondContact O-N 3.46Š| ||
| 546 | L | 88 | Confident | 85.7 | Confident | 87 Ų | 87 | 53.5 Ų | 53.5 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -82.2 | 7.9 | -173.7 | -59.2 | -176.4 | 0 | 0 | 0 | 114.8 | I54 E57 W544 | I54-L546 HydrophobicContact CD1-CB 4.11Å; I54-L546 VanDerWaalsContact CD1-O 3.28Å; I54-L546 WeakPolarHBondContact CD1-O 3.28Å; I54-L546 HydrophobicContact CG1-CB 4.16Å; E57-L546 HydrophobicContact CB-CD1 4.06Å; E57-L546 HydrophobicContact CG-CD1 3.95Å; W544-L546 HydrophobicContact CH2-CB 3.95Å; W544-L546 HydrophobicContact CH2-CD1 3.78Å; W544-L546 HydrophobicContact CH2-CG 4.18Å; W544-L546 HydrophobicContact CZ2-CB 3.79Å; W544-L546 HydrophobicContact CZ2-CD1 4.47Å; W544-L546 HydrophobicContact CZ2-CG 4.5Å; W544-L546 HydrophobicContact CZ3-CB 4.5Å; W544-L546 HydrophobicContact CZ3-CD1 4.07Å; W544-L546 HydrophobicContact CZ3-CG 4.37Å |
| 547 | G | 87.2 | Confident | 85.5 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 25% | 0.247 | 30% | 0.298 | C | S | . | . | trans | 90.4 | 173.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N535 W544 N545 | N535-G547 WeakPolarHBondContact OD1-CA 3.31Å; N535-G547 PolarHBondContact OD1-N 2.84Å; N535-G547 VanDerWaalsContact OD1-N 3.1Å; W544-G547 PolarHBondContact NE1-O 3.22Å; N545-G547 PolarHBondContact O-N 3.46Å | ||
| 548 | S | 88.8 | Confident | 85.5 | Confident | 79 Ų | 79 | 51.3 Ų | 51.3 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | trans | -80.4 | 139.9 | -177.3 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | H533 | H533-S548 CarbonylContact O-C 3.4Å; H533-S548 WeakPolarHBondContact O-CA 3.39Å; H533-S548 VanDerWaalsContact O-CB 3.27Å; H533-S548 WeakPolarHBondContact O-CB 3.27Å | ||
| 549 | F | 90.2 | Very high | 85.5 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 172.5 | 175.1 | 73.4 | -88.1 | 0 | 0 | 0 | 112.2 | I54 H55 F58 V111 T532 H533 W544 A551 | I54-F549 HydrophobicContact CD1-CB 4.22Å; I54-F549 HydrophobicContact CD1-CD1 4.16Å; I54-F549 HydrophobicContact CG1-CD1 4.15Å; H55-F549 AromaticContact CD2-CD2 3.31Å; H55-F549 WeakPolarHBondContact CD2-CD2 3.25Å; H55-F549 AromaticContact CD2-CE2 3.71Å; H55-F549 AromaticContact CD2-CG 3.92Å; H55-F549 AromaticContact NE2-CD2 3.44Å; H55-F549 WeakPolarHBondContact NE2-CD2 3.36Å; F58-F549 HydrophobicContact CB-CE1 3.98Å; F58-F549 HydrophobicContact CB-CZ 3.86Å; F58-F549 HydrophobicContact CD1-CE1 4.38Å; F58-F549 AromaticContact CD1-CZ 3.64Å; F58-F549 HydrophobicContact CD1-CZ 3.64Å; F58-F549 AromaticContact CD2-CE1 3.63Å; F58-F549 HydrophobicContact CD2-CE1 3.63Å; F58-F549 AromaticContact CD2-CZ 3.7Å; F58-F549 HydrophobicContact CD2-CZ 3.7Å; F58-F549 HydrophobicContact CE1-CZ 4.01Å; F58-F549 HydrophobicContact CE2-CE1 4.17Å; F58-F549 HydrophobicContact CE2-CZ 4.1Å; F58-F549 AromaticContact CG-CE1 3.74Å; F58-F549 HydrophobicContact CG-CE1 3.74Å; F58-F549 AromaticContact CG-CZ 3.44Å; F58-F549 HydrophobicContact CG-CZ 3.44Å; F58-F549 VanDerWaalsContact CG-CZ 3.44Å; F58-F549 HydrophobicContact CZ-CZ 4.23Å; V111-F549 HydrophobicContact CG1-CE2 4.11Å; V111-F549 HydrophobicContact CG1-CZ 4.37Å; T532-F549 WeakPolarHBondContact CA-O 3.3Å; H533-F549 HydrophobicContact CB-CD1 4.01Å; H533-F549 HydrophobicContact CB-CE1 3.53Å; H533-F549 HydrophobicContact CB-CE2 4.33Å; H533-F549 HydrophobicContact CB-CZ 3.69Å; H533-F549 AromaticContact CD2-CE2 3.78Å; H533-F549 AromaticContact CD2-CZ 3.6Å; H533-F549 AromaticContact CG-CZ 3.8Å; H533-F549 PolarHBondContact N-O 2.98Å; H533-F549 PolarHBondContact O-N 3.27Å; W544-F549 HydrophobicContact CH2-CE1 4.48Å; W544-F549 AromaticContact CZ2-CD1 3.88Å; W544-F549 HydrophobicContact CZ2-CD1 3.88Å; W544-F549 AromaticContact CZ2-CE1 3.67Å; W544-F549 HydrophobicContact CZ2-CE1 3.67Å; F549-A551 HydrophobicContact CE2-CB 4.27Å |
| 550 | C | 88.2 | Confident | 85.9 | Confident | 38 Ų | 38 | 45 Ų | 45 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129.7 | -178.1 | -173.2 | 0 | 0 | 0 | 0 | 112.5 | C523 | C523-C550 WeakPolarHBondContact CA-SG 3.26Å; C523-C550 HydrophobicContact CB-CB 3.63Å; C523-C550 WeakPolarHBondContact CB-SG 3.27Å; C523-C550 VanDerWaalsContact SG-CA 3.56Å; C523-C550 WeakPolarHBondContact SG-CB 3.33Å; C523-C550 CovalentContact SG-SG 2.04Å; C523-C550 PolarHBondContact SG-SG 3.02Å |
| 551 | A | 87 | Confident | 86.4 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V111 C530 F531 F549 T553 | V111-A551 HydrophobicContact CB-CB 3.98Å; V111-A551 HydrophobicContact CG1-CB 4.5Å; V111-A551 HydrophobicContact CG2-CB 4.03Å; C530-A551 CarbonylContact C-O 3.59Å; C530-A551 VanDerWaalsContact CA-O 3.27Å; C530-A551 WeakPolarHBondContact CA-O 3.47Å; F531-A551 PolarHBondContact N-O 2.04Å; F531-A551 PolarHBondContact O-N 3.46Å; F549-A551 HydrophobicContact CE2-CB 4.27Å; A551-T553 HydrophobicContact CB-CG2 4.45Å |
| 552 | C | 87 | Confident | 87.2 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 14% | 0.135 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 76.8 | -179.5 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | L525 L528 C530 | L525-C552 HydrophobicContact CD1-CB 4.01Å; L528-C552 HydrophobicContact CB-CB 4.24Å; L528-C552 HydrophobicContact CD1-CB 4.06Å; C530-C552 HydrophobicContact CB-CB 4.05Å; C530-C552 WeakPolarHBondContact CB-SG 3.47Å; C530-C552 WeakPolarHBondContact SG-CB 3.44Å; C530-C552 CovalentContact SG-SG 2.04Å; C530-C552 PolarHBondContact SG-SG 3.44Å |
| 553 | T | 83.4 | Confident | 87.8 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 8 | -165.5 | 56.8 | 0 | 0 | 0 | 0 | 115.7 | L110 V111 K112 M116 A551 | L110-T553 HydrophobicContact CB-CG2 4.19Å; L110-T553 HydrophobicContact CD2-CG2 4.36Å; V111-T553 HydrophobicContact CB-CG2 4.45Å; K112-T553 WeakPolarHBondContact O-CB 3.17Å; K112-T553 WeakPolarHBondContact O-CG2 3.39Å; K112-T553 PolarHBondContact O-OG1 3.48Å; M116-T553 WeakPolarHBondContact CE-O 3.34Å; A551-T553 HydrophobicContact CB-CG2 4.45Å |
| 554 | S | 83.7 | Confident | 88.2 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 174.4 | -177.7 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | L528 T529 | L528-S554 WeakPolarHBondContact CA-O 3.46Å; L528-S554 WeakPolarHBondContact CD2-O 3.1Å; T529-S554 PolarHBondContact N-O 3.37Å; T529-S554 PolarHBondContact OG1-O 2.94Å; T529-S554 PolarHBondContact OG1-OG 3Å |
| 555 | S | 84.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | trans | -145.3 | 154.8 | 169.1 | -178.1 | 0 | 0 | 0 | 0 | 112 | R199 G527 N557 | R199-S555 PolarHBondContact NH2-O 3.39Å; G527-S555 WeakPolarHBondContact O-CB 3.43Å; G527-S555 PolarHBondContact O-OG 2.79Å; S555-N557 VanDerWaalsContact C-N 3.31Å; S555-N557 PolarHBondContact OG-N 2.74Å | ||
| 556 | N | 77.5 | Confident | 88.6 | Confident | 122 Ų | 122 | 32.2 Ų | 32.2 | 65% | 0.652 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -77 | -16 | 167.3 | -68 | -54.2 | 0 | 0 | 0 | 113.2 | ||
| 557 | N | 78 | Confident | 88.5 | Confident | 128 Ų | 128 | 30.7 Ų | 30.7 | 68% | 0.684 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -98.6 | -6 | 179.1 | -69 | 2.7 | 0 | 0 | 0 | 112.3 | S555 T559 | S555-N557 VanDerWaalsContact C-N 3.31Å; S555-N557 PolarHBondContact OG-N 2.74Å; N557-T559 PolarHBondContact O-N 3.32Å |
| 558 | N | 84.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | trans | -70.3 | 101 | 172.5 | -150.7 | 29.3 | 0 | 0 | 0 | 108.7 | H42 W43 I44 R199 | H42-N558 PolarHBondContact NE2-ND2 2.68Å; W43-N558 PolarHBondContact NE1-OD1 3.32Å; W43-N558 VanDerWaalsContact NE1-OD1 3.16Å; I44-N558 HydrophobicContact CD1-CB 3.95Å; R199-N558 WeakPolarHBondContact CD-O 3.08Å; R199-N558 PolarHBondContact NE-O 2.84Å | ||
| 559 | T | 90.1 | Very high | 88.3 | Confident | 27 Ų | 27 | 39.3 Ų | 39.3 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | trans | -117.4 | 123.6 | 177.6 | -61.8 | 0 | 0 | 0 | 0 | 108.2 | R199 N557 W561 A578 | R199-T559 CarbonylContact O-C 3.53Å; R199-T559 WeakPolarHBondContact O-CA 3.04Å; R199-T559 WeakPolarHBondContact O-CG2 3.1Å; N557-T559 PolarHBondContact O-N 3.32Å; T559-W561 HydrophobicContact CG2-CH2 3.68Å; T559-W561 HydrophobicContact CG2-CZ2 3.48Å; T559-W561 VanDerWaalsContact CG2-CZ2 3.48Å; T559-W561 HydrophobicContact CG2-CZ3 4.47Å; T559-A578 HydrophobicContact CG2-CB 3.92Å; T559-A578 PolarHBondContact O-N 3.26Å | ||
| 560 | Y | 93.3 | Very high | 88.4 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157.9 | -178.5 | 59 | -108.8 | 0 | 0 | 0 | 111.3 | M116 P117 V197 E198 R199 E576 F577 | M116-Y560 PolarHBondContact O-OH 3.45Å; P117-Y560 HydrophobicContact CB-CD2 4.08Å; P117-Y560 HydrophobicContact CB-CE2 3.72Å; V197-Y560 HydrophobicContact CG1-CE2 4.29Å; E198-Y560 WeakPolarHBondContact CA-O 3.35Å; R199-Y560 HydrophobicContact CB-CD1 4.05Å; R199-Y560 HydrophobicContact CB-CD2 4.02Å; R199-Y560 HydrophobicContact CB-CE1 3.64Å; R199-Y560 HydrophobicContact CB-CE2 3.58Å; R199-Y560 HydrophobicContact CB-CG 4.22Å; R199-Y560 HydrophobicContact CG-CE1 4.1Å; R199-Y560 PolarHBondContact N-O 3.28Å; R199-Y560 PolarHBondContact O-N 3.09Å; Y560-E576 CarbonylContact C-O 3.57Å; Y560-E576 VanDerWaalsContact CA-O 3.29Å; Y560-E576 WeakPolarHBondContact CA-O 3.5Å; Y560-F577 HydrophobicContact CD1-CD1 4.28Å; Y560-F577 AromaticContact CD1-CE1 3.71Å; Y560-F577 HydrophobicContact CD1-CE1 3.71Å; Y560-F577 HydrophobicContact CD1-CZ 4.37Å; Y560-F577 HydrophobicContact CG-CD1 4.46Å; Y560-F577 HydrophobicContact CG-CE1 4.07Å; Y560-F577 HydrophobicContact CG-CZ 4.48Å |
| 561 | W | 94.8 | Very high | 88.7 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 11% | 0.106 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 130.3 | 172 | -52.6 | -82.5 | 0 | 0 | 0 | 108 | L196 V197 E198 T559 E576 A578 L613 R617 | L196-W561 HydrophobicContact CD1-CB 4.23Å; V197-W561 CarbonylContact O-C 3.35Å; E198-W561 VanDerWaalsContact CB-CD1 3.46Å; E198-W561 HydrophobicContact CB-CG 4.37Å; E198-W561 PolarHBondContact OE2-NE1 3.02Å; T559-W561 HydrophobicContact CG2-CH2 3.68Å; T559-W561 HydrophobicContact CG2-CZ2 3.48Å; T559-W561 VanDerWaalsContact CG2-CZ2 3.48Å; T559-W561 HydrophobicContact CG2-CZ3 4.47Å; W561-E576 PolarHBondContact N-O 3.18Å; W561-E576 PolarHBondContact O-N 3.18Å; W561-A578 HydrophobicContact CH2-CB 4.03Å; W561-A578 HydrophobicContact CZ3-CB 4.11Å; W561-L613 HydrophobicContact CB-CD1 4.09Å; W561-L613 HydrophobicContact CB-CD2 4.08Å; W561-L613 HydrophobicContact CB-CG 4.29Å; W561-R617 HydrophobicContact CG-CG 4.45Å |
| 562 | C | 96.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.2 | -175.7 | -52.6 | 0 | 0 | 0 | 0 | 112 | P117 L196 V197 L573 F574 C575 | P117-C562 WeakPolarHBondContact CB-SG 3.43Å; L196-C562 WeakPolarHBondContact CA-O 3.2Å; V197-C562 HydrophobicContact CB-CB 4.26Å; V197-C562 PolarHBondContact N-O 3.23Å; V197-C562 PolarHBondContact O-N 3.44Å; C562-L573 HydrophobicContact CB-CD1 3.74Å; C562-F574 CarbonylContact C-O 3.45Å; C562-F574 WeakPolarHBondContact CA-O 3.41Å; C562-F574 VanDerWaalsContact CB-O 3.23Å; C562-F574 WeakPolarHBondContact CB-O 3.29Å; C562-C575 HydrophobicContact CB-CB 4.01Å; C562-C575 WeakPolarHBondContact CB-SG 3.34Å; C562-C575 VanDerWaalsContact SG-CA 3.57Å; C562-C575 WeakPolarHBondContact SG-CB 3.25Å; C562-C575 CovalentContact SG-SG 2.03Å; C562-C575 PolarHBondContact SG-SG 3.09Å |
| 563 | L | 95.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 112.1 | 172.5 | -162.5 | 72.4 | 0 | 0 | 0 | 107.6 | T194 F572 F574 L609 Q612 L613 L616 | T194-L563 HydrophobicContact CG2-CD1 3.39Å; T194-L563 HydrophobicContact CG2-CD2 4.2Å; T194-L563 HydrophobicContact CG2-CG 3.55Å; L563-F572 HydrophobicContact CD2-CE2 4.34Å; L563-F574 HydrophobicContact CB-CB 4.38Å; L563-F574 HydrophobicContact CB-CD1 4.34Å; L563-F574 PolarHBondContact N-O 2.91Å; L563-F574 PolarHBondContact O-N 2.57Å; L563-L609 HydrophobicContact CD2-CD2 3.83Å; L563-Q612 HydrophobicContact CD1-CG 4.15Å; L563-Q612 HydrophobicContact CD2-CB 4.24Å; L563-Q612 HydrophobicContact CD2-CG 4.13Å; L563-L613 HydrophobicContact CB-CD1 4.2Å; L563-L616 HydrophobicContact CD1-CD1 3.56Å |
| 564 | R | 95.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 5% | 0.045 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.3 | 172.7 | -175.3 | 74.3 | 178.2 | 91.5 | 3.8 | 108.3 | D119 I122 T194 F195 N571 F572 L573 | D119-R564 IonicContact OD1-CZ 2.73Å; D119-R564 IonicContact OD1-NE 3.42Å; D119-R564 PolarHBondContact OD1-NE 3.26Å; D119-R564 IonicContact OD1-NH2 2.96Å; D119-R564 PolarHBondContact OD1-NH2 2.92Å; I122-R564 HydrophobicContact CD1-CG 4.47Å; T194-R564 WeakPolarHBondContact CA-O 3.47Å; F195-R564 HydrophobicContact CD1-CB 4Å; F195-R564 HydrophobicContact CD1-CG 4.31Å; F195-R564 WeakPolarHBondContact CD1-O 3.33Å; F195-R564 HydrophobicContact CE1-CB 3.58Å; F195-R564 HydrophobicContact CE1-CG 3.46Å; F195-R564 VanDerWaalsContact CE1-CG 3.46Å; F195-R564 HydrophobicContact CE2-CB 4.15Å; F195-R564 HydrophobicContact CE2-CG 4.5Å; F195-R564 HydrophobicContact CG-CB 4.48Å; F195-R564 HydrophobicContact CZ-CB 3.68Å; F195-R564 HydrophobicContact CZ-CG 3.59Å; F195-R564 PolarHBondContact N-O 2.87Å; F195-R564 PolarHBondContact O-N 2.81Å; R564-N571 PolarHBondContact NH1-OD1 3Å; R564-N571 PolarHBondContact NH2-OD1 2.99Å; R564-N571 VanDerWaalsContact NH2-OD1 3.11Å; R564-F572 WeakPolarHBondContact CD-O 3.38Å; R564-F572 PolarHBondContact NH1-O 3.29Å; R564-L573 HydrophobicContact CB-CD1 4.18Å |
| 565 | T | 93.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131 | -176.5 | -51.4 | 0 | 0 | 0 | 0 | 109.6 | D193 T194 H570 N571 F572 | D193-T565 CarbonylContact O-C 3.54Å; D193-T565 WeakPolarHBondContact O-CA 3.28Å; T194-T565 WeakPolarHBondContact CG2-OG1 3.42Å; T565-H570 HydrophobicContact CG2-CB 4.43Å; T565-N571 CarbonylContact O-C 3.54Å; T565-N571 VanDerWaalsContact O-CA 3.27Å; T565-N571 WeakPolarHBondContact O-CA 3.32Å; T565-F572 HydrophobicContact CG2-CE1 3.92Å; T565-F572 HydrophobicContact CG2-CZ 4.06Å; T565-F572 PolarHBondContact N-O 3.19Å; T565-F572 PolarHBondContact O-N 3.11Å; T565-F572 WeakPolarHBondContact OG1-CE2 3.44Å; T565-F572 WeakPolarHBondContact OG1-CZ 3.31Å |
| 566 | V | 92 | Very high | 91.4 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 32% | 0.315 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 111.2 | 171.5 | -167.9 | 0 | 0 | 0 | 0 | 109.1 | I142 D193 H570 | I142-V566 HydrophobicContact CD1-CB 3.86Å; I142-V566 HydrophobicContact CD1-CG2 4.12Å; I142-V566 HydrophobicContact CG1-CB 4.13Å; I142-V566 HydrophobicContact CG1-CG2 4.5Å; D193-V566 PolarHBondContact O-N 3.41Å; V566-H570 CarbonylContact C-O 3.53Å; V566-H570 WeakPolarHBondContact CA-O 3.03Å |
| 567 | N | 87.3 | Confident | 92.2 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -141.8 | -175.5 | 168.1 | 65.9 | 48.8 | 0 | 0 | 0 | 110.4 | D193 T569 H570 | D193-N567 HydrophobicContact CB-CB 3.92Å; N567-T569 PolarHBondContact O-N 2.7Å; N567-T569 PolarHBondContact OD1-N 3.03Å; N567-T569 PolarHBondContact OD1-OG1 3.41Å; N567-H570 PolarHBondContact N-O 2.87Å; N567-H570 PolarHBondContact OD1-N 2.7Å |
| 568 | E | 84.8 | Confident | 92.7 | Very high | 191 Ų | 191 | 34.3 Ų | 34.3 | 89% | 0.893 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -58.6 | -15.2 | -177.3 | -60.4 | 175.5 | 176.3 | 0 | 0 | 114.9 | ||
| 569 | T | 86.9 | Confident | 92.7 | Very high | 93 Ų | 93 | 38.9 Ų | 38.9 | 57% | 0.571 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -127.9 | -24.2 | -173.6 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | N567 | N567-T569 PolarHBondContact O-N 2.7Å; N567-T569 PolarHBondContact OD1-N 3.03Å; N567-T569 PolarHBondContact OD1-OG1 3.41Å |
| 570 | H | 91.1 | Very high | 92.6 | Very high | 97 Ų | 97 | 39.8 Ų | 39.8 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | trans | -133.1 | 130.6 | -173.5 | -68.5 | 78 | 0 | 0 | 0 | 110.5 | T565 V566 N567 F572 | T565-H570 HydrophobicContact CG2-CB 4.43Å; V566-H570 CarbonylContact C-O 3.53Å; V566-H570 WeakPolarHBondContact CA-O 3.03Å; N567-H570 PolarHBondContact N-O 2.87Å; N567-H570 PolarHBondContact OD1-N 2.7Å; H570-F572 HydrophobicContact CB-CD1 4.01Å; H570-F572 HydrophobicContact CB-CE1 4.03Å | ||
| 571 | N | 95.1 | Very high | 92.5 | Very high | 32 Ų | 32 | 42.2 Ų | 42.2 | 17% | 0.171 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 71.7 | -179.6 | -179.4 | 13.6 | 0 | 0 | 0 | 109.7 | R564 T565 M587 N588 | R564-N571 PolarHBondContact NH1-OD1 3Å; R564-N571 PolarHBondContact NH2-OD1 2.99Å; R564-N571 VanDerWaalsContact NH2-OD1 3.11Å; T565-N571 CarbonylContact O-C 3.54Å; T565-N571 VanDerWaalsContact O-CA 3.27Å; T565-N571 WeakPolarHBondContact O-CA 3.32Å; N571-M587 WeakPolarHBondContact O-CA 3.02Å; N571-M587 WeakPolarHBondContact O-CB 3.44Å; N571-M587 WeakPolarHBondContact O-CG 3.26Å; N571-M587 PolarHBondContact O-N 2.8Å; N571-N588 VanDerWaalsContact CB-OD1 3.22Å; N571-N588 WeakPolarHBondContact CB-OD1 3.35Å; N571-N588 PolarHBondContact ND2-OD1 2.81Å |
| 572 | F | 96.2 | Very high | 92.5 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 163.8 | -172.1 | 65.2 | -102.3 | 0 | 0 | 0 | 113.4 | L563 R564 T565 H570 F574 Y584 F585 L609 | L563-F572 HydrophobicContact CD2-CE2 4.34Å; R564-F572 WeakPolarHBondContact CD-O 3.38Å; R564-F572 PolarHBondContact NH1-O 3.29Å; T565-F572 HydrophobicContact CG2-CE1 3.92Å; T565-F572 HydrophobicContact CG2-CZ 4.06Å; T565-F572 PolarHBondContact N-O 3.19Å; T565-F572 PolarHBondContact O-N 3.11Å; T565-F572 WeakPolarHBondContact OG1-CE2 3.44Å; T565-F572 WeakPolarHBondContact OG1-CZ 3.31Å; H570-F572 HydrophobicContact CB-CD1 4.01Å; H570-F572 HydrophobicContact CB-CE1 4.03Å; F572-F574 HydrophobicContact CD2-CB 4.35Å; F572-F574 HydrophobicContact CE2-CB 4.39Å; F572-Y584 HydrophobicContact CB-CE1 4.43Å; F572-Y584 HydrophobicContact CB-CE2 4.02Å; F572-Y584 WeakPolarHBondContact CB-OH 3.26Å; F572-Y584 HydrophobicContact CD1-CE2 4.49Å; F572-Y584 AromaticContact CD2-CE2 3.78Å; F572-Y584 HydrophobicContact CD2-CE2 3.78Å; F572-Y584 HydrophobicContact CE2-CE2 4.36Å; F572-Y584 AromaticContact CG-CE2 3.86Å; F572-Y584 HydrophobicContact CG-CE2 3.86Å; F572-Y584 AromaticContact CG-CZ 3.94Å; F572-F585 CarbonylContact C-O 3.59Å; F572-F585 WeakPolarHBondContact CA-O 3.22Å; F572-F585 WeakPolarHBondContact CB-O 3.43Å; F572-L609 HydrophobicContact CE2-CD2 3.72Å; F572-L609 HydrophobicContact CZ-CD2 3.56Å |
| 573 | L | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119.8 | 165.6 | 175.4 | 65.8 | 0 | 0 | 0 | 108.2 | P117 C562 R564 Y584 F585 Q593 | P117-L573 WeakPolarHBondContact O-CD2 3.43Å; C562-L573 HydrophobicContact CB-CD1 3.74Å; R564-L573 HydrophobicContact CB-CD1 4.18Å; L573-Y584 WeakPolarHBondContact O-CA 3.37Å; L573-F585 HydrophobicContact CD2-CD2 4.28Å; L573-F585 PolarHBondContact N-O 2.86Å; L573-F585 PolarHBondContact O-N 3.41Å; L573-Q593 VanDerWaalsContact CD2-NE2 3.29Å |
| 574 | F | 97.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134 | 170.9 | 170.7 | -112.8 | 0 | 0 | 0 | 109.1 | C562 L563 F572 E576 L582 E583 Y584 L606 L609 L613 | C562-F574 CarbonylContact C-O 3.45Å; C562-F574 WeakPolarHBondContact CA-O 3.41Å; C562-F574 VanDerWaalsContact CB-O 3.23Å; C562-F574 WeakPolarHBondContact CB-O 3.29Å; L563-F574 HydrophobicContact CB-CB 4.38Å; L563-F574 HydrophobicContact CB-CD1 4.34Å; L563-F574 PolarHBondContact N-O 2.91Å; L563-F574 PolarHBondContact O-N 2.57Å; F572-F574 HydrophobicContact CD2-CB 4.35Å; F572-F574 HydrophobicContact CE2-CB 4.39Å; F574-E576 HydrophobicContact CE1-CG 3.75Å; F574-E576 HydrophobicContact CZ-CG 3.72Å; F574-E576 WeakPolarHBondContact CZ-OE1 3.39Å; F574-L582 HydrophobicContact CZ-CD2 4.37Å; F574-E583 CarbonylContact C-O 3.55Å; F574-E583 WeakPolarHBondContact CA-O 3.49Å; F574-E583 WeakPolarHBondContact CD2-O 3.41Å; F574-Y584 HydrophobicContact CB-CD2 3.99Å; F574-Y584 HydrophobicContact CD2-CD2 4.15Å; F574-Y584 HydrophobicContact CG-CD2 4.49Å; F574-L606 HydrophobicContact CD2-CD2 4.46Å; F574-L606 HydrophobicContact CE2-CD2 4.02Å; F574-L609 HydrophobicContact CB-CD1 4.28Å; F574-L609 HydrophobicContact CD1-CB 3.67Å; F574-L609 HydrophobicContact CD1-CD1 4.43Å; F574-L609 HydrophobicContact CD2-CD1 4.29Å; F574-L609 HydrophobicContact CE1-CB 3.76Å; F574-L609 HydrophobicContact CG-CB 4.17Å; F574-L609 HydrophobicContact CG-CD1 4.08Å; F574-L609 HydrophobicContact CZ-CB 4.35Å; F574-L613 HydrophobicContact CE1-CD2 4.37Å |
| 575 | C | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.7 | -177.6 | -73.7 | 0 | 0 | 0 | 0 | 112.9 | P117 C562 F577 L582 E583 | P117-C575 VanDerWaalsContact CB-SG 3.51Å; C562-C575 HydrophobicContact CB-CB 4.01Å; C562-C575 WeakPolarHBondContact CB-SG 3.34Å; C562-C575 VanDerWaalsContact SG-CA 3.57Å; C562-C575 WeakPolarHBondContact SG-CB 3.25Å; C562-C575 CovalentContact SG-SG 2.03Å; C562-C575 PolarHBondContact SG-SG 3.09Å; C575-F577 HydrophobicContact CB-CD2 4.49Å; C575-F577 HydrophobicContact CB-CE2 3.85Å; C575-L582 WeakPolarHBondContact O-CA 3.4Å; C575-E583 HydrophobicContact CB-CB 4.19Å; C575-E583 PolarHBondContact N-O 2.92Å; C575-E583 PolarHBondContact O-N 2.85Å |
| 576 | E | 95.4 | Very high | 92.8 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121.3 | 169.4 | -57.1 | -165 | 167.7 | 0 | 0 | 110.5 | Y560 W561 F574 L582 H610 L613 | Y560-E576 CarbonylContact C-O 3.57Å; Y560-E576 VanDerWaalsContact CA-O 3.29Å; Y560-E576 WeakPolarHBondContact CA-O 3.5Å; W561-E576 PolarHBondContact N-O 3.18Å; W561-E576 PolarHBondContact O-N 3.18Å; F574-E576 HydrophobicContact CE1-CG 3.75Å; F574-E576 HydrophobicContact CZ-CG 3.72Å; F574-E576 WeakPolarHBondContact CZ-OE1 3.39Å; E576-L582 HydrophobicContact CB-CD2 4.25Å; E576-L582 HydrophobicContact CG-CD2 3.73Å; E576-H610 WeakPolarHBondContact OE1-CB 3.15Å; E576-H610 IonicContact OE1-CE1 2.77Å; E576-H610 IonicContact OE1-CG 2.63Å; E576-H610 IonicContact OE1-ND1 2.63Å; E576-H610 PolarHBondContact OE1-ND1 3.1Å; E576-H610 IonicContact OE2-CE1 3.61Å; E576-H610 PolarHBondContact OE2-CE1 2.99Å; E576-H610 IonicContact OE2-ND1 3.89Å; E576-H610 PolarHBondContact OE2-ND1 2.8Å; E576-L613 HydrophobicContact CB-CD2 3.95Å; E576-L613 HydrophobicContact CG-CD2 3.55Å |
| 577 | F | 92.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 148.5 | 174.9 | -68.9 | -100.2 | 0 | 0 | 0 | 110.2 | H42 P117 Y560 C575 T579 G580 F581 E583 | H42-F577 HydrophobicContact CB-CD1 3.69Å; H42-F577 HydrophobicContact CB-CD2 4.01Å; H42-F577 HydrophobicContact CB-CE1 3.39Å; H42-F577 HydrophobicContact CB-CE2 3.75Å; H42-F577 HydrophobicContact CB-CG 4Å; H42-F577 HydrophobicContact CB-CZ 3.43Å; H42-F577 VanDerWaalsContact CB-CZ 3.43Å; H42-F577 AromaticContact CD2-CE1 3.48Å; H42-F577 VanDerWaalsContact CD2-CE1 3.48Å; H42-F577 WeakPolarHBondContact CD2-CE1 3.18Å; H42-F577 AromaticContact CD2-CZ 4Å; H42-F577 AromaticContact CG-CE1 3.25Å; H42-F577 AromaticContact CG-CZ 3.34Å; H42-F577 AromaticContact ND1-CE1 3.69Å; H42-F577 AromaticContact ND1-CZ 3.37Å; H42-F577 WeakPolarHBondContact ND1-CZ 3.36Å; P117-F577 HydrophobicContact CG-CZ 4.13Å; Y560-F577 HydrophobicContact CD1-CD1 4.28Å; Y560-F577 AromaticContact CD1-CE1 3.71Å; Y560-F577 HydrophobicContact CD1-CE1 3.71Å; Y560-F577 HydrophobicContact CD1-CZ 4.37Å; Y560-F577 HydrophobicContact CG-CD1 4.46Å; Y560-F577 HydrophobicContact CG-CE1 4.07Å; Y560-F577 HydrophobicContact CG-CZ 4.48Å; C575-F577 HydrophobicContact CB-CD2 4.49Å; C575-F577 HydrophobicContact CB-CE2 3.85Å; F577-T579 WeakPolarHBondContact CB-OG1 3.34Å; F577-T579 PolarHBondContact O-N 3.17Å; F577-G580 PolarHBondContact O-N 2.87Å; F577-F581 HydrophobicContact CB-CB 4.19Å; F577-F581 HydrophobicContact CD2-CD1 4.41Å; F577-F581 PolarHBondContact N-O 3.36Å; F577-E583 HydrophobicContact CE2-CG 3.85Å |
| 578 | A | 88.3 | Confident | 93.3 | Very high | 66 Ų | 66 | 45.9 Ų | 45.9 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -3.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T559 W561 | T559-A578 HydrophobicContact CG2-CB 3.92Å; T559-A578 PolarHBondContact O-N 3.26Å; W561-A578 HydrophobicContact CH2-CB 4.03Å; W561-A578 HydrophobicContact CZ3-CB 4.11Å |
| 579 | T | 85.6 | Confident | 93.8 | Very high | 99 Ų | 99 | 42.2 Ų | 42.2 | 61% | 0.607 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6.1 | 169.5 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | F577 F581 | F577-T579 WeakPolarHBondContact CB-OG1 3.34Å; F577-T579 PolarHBondContact O-N 3.17Å; T579-F581 VanDerWaalsContact C-N 3.31Å; T579-F581 PolarHBondContact OG1-N 2.92Å |
| 580 | G | 87 | Confident | 94.2 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 47% | 0.474 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 81.2 | 5.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F577 | F577-G580 PolarHBondContact O-N 2.87Š|
| 581 | F | 92 | Very high | 94.4 | Very high | 61 Ų | 61 | 37.5 Ų | 37.5 | 27% | 0.268 | 23% | 0.225 | S | C | . | . | trans | -76.4 | 142.4 | 173.9 | -162.1 | -91.5 | 0 | 0 | 0 | 110.7 | D40 K41 H42 F577 T579 E583 | D40-F581 WeakPolarHBondContact O-CE1 3.48Å; D40-F581 VanDerWaalsContact O-CZ 3.29Å; D40-F581 WeakPolarHBondContact O-CZ 3.39Å; K41-F581 WeakPolarHBondContact O-CZ 3.12Å; H42-F581 HydrophobicContact CB-CD1 4.26Å; F577-F581 HydrophobicContact CB-CB 4.19Å; F577-F581 HydrophobicContact CD2-CD1 4.41Å; F577-F581 PolarHBondContact N-O 3.36Å; T579-F581 VanDerWaalsContact C-N 3.31Å; T579-F581 PolarHBondContact OG1-N 2.92Å; F581-E583 HydrophobicContact CD1-CG 4.11Å; F581-E583 HydrophobicContact CE1-CG 3.88Å | ||
| 582 | L | 95.3 | Very high | 94.4 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135 | -177.3 | -55 | 177.6 | 0 | 0 | 0 | 110.2 | F574 C575 E576 N596 V598 | F574-L582 HydrophobicContact CZ-CD2 4.37Å; C575-L582 WeakPolarHBondContact O-CA 3.4Å; E576-L582 HydrophobicContact CB-CD2 4.25Å; E576-L582 HydrophobicContact CG-CD2 3.73Å; L582-N596 PolarHBondContact O-ND2 2.89Å; L582-V598 HydrophobicContact CB-CG2 3.88Å; L582-V598 HydrophobicContact CD1-CG2 4.49Å |
| 583 | E | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.6 | 169.1 | -59.8 | 175.7 | 164.7 | 0 | 0 | 110 | K41 H42 Y118 F574 C575 F577 F581 F585 N596 | K41-E583 WeakPolarHBondContact CA-OE1 3.45Å; K41-E583 WeakPolarHBondContact CB-OE1 3.37Å; H42-E583 IonicContact CG-OE1 2.91Å; H42-E583 PolarHBondContact N-OE1 3.16Å; H42-E583 IonicContact ND1-OE1 3.3Å; H42-E583 PolarHBondContact ND1-OE1 2.91Å; H42-E583 IonicContact ND1-OE2 3.04Å; Y118-E583 PolarHBondContact OH-OE1 3.17Å; Y118-E583 VanDerWaalsContact OH-OE1 3.12Å; Y118-E583 PolarHBondContact OH-OE2 2.97Å; F574-E583 CarbonylContact C-O 3.55Å; F574-E583 WeakPolarHBondContact CA-O 3.49Å; F574-E583 WeakPolarHBondContact CD2-O 3.41Å; C575-E583 HydrophobicContact CB-CB 4.19Å; C575-E583 PolarHBondContact N-O 2.92Å; C575-E583 PolarHBondContact O-N 2.85Å; F577-E583 HydrophobicContact CE2-CG 3.85Å; F581-E583 HydrophobicContact CD1-CG 4.11Å; F581-E583 HydrophobicContact CE1-CG 3.88Å; E583-F585 HydrophobicContact CB-CD2 4.48Å; E583-F585 HydrophobicContact CB-CE2 3.64Å; E583-F585 HydrophobicContact CB-CZ 3.99Å; E583-F585 HydrophobicContact CG-CE2 4.32Å; E583-F585 HydrophobicContact CG-CZ 4.33Å; E583-N596 WeakPolarHBondContact CA-OD1 3.27Å |
| 584 | Y | 97.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 42 Ų | 42 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 132.5 | 169 | -176.6 | -83.8 | 0 | 0 | 0 | 109.3 | F572 L573 F574 D586 N596 T597 V601 L609 | F572-Y584 HydrophobicContact CB-CE1 4.43Å; F572-Y584 HydrophobicContact CB-CE2 4.02Å; F572-Y584 WeakPolarHBondContact CB-OH 3.26Å; F572-Y584 HydrophobicContact CD1-CE2 4.49Å; F572-Y584 AromaticContact CD2-CE2 3.78Å; F572-Y584 HydrophobicContact CD2-CE2 3.78Å; F572-Y584 HydrophobicContact CE2-CE2 4.36Å; F572-Y584 AromaticContact CG-CE2 3.86Å; F572-Y584 HydrophobicContact CG-CE2 3.86Å; F572-Y584 AromaticContact CG-CZ 3.94Å; L573-Y584 WeakPolarHBondContact O-CA 3.37Å; F574-Y584 HydrophobicContact CB-CD2 3.99Å; F574-Y584 HydrophobicContact CD2-CD2 4.15Å; F574-Y584 HydrophobicContact CG-CD2 4.49Å; Y584-D586 HydrophobicContact CE1-CB 4.35Å; Y584-N596 PolarHBondContact N-OD1 2.64Å; Y584-N596 PolarHBondContact O-OD1 2.75Å; Y584-T597 PolarHBondContact O-N 3.17Å; Y584-T597 PolarHBondContact O-OG1 2.83Å; Y584-V601 HydrophobicContact CD1-CG2 3.62Å; Y584-V601 HydrophobicContact CD2-CG2 4.23Å; Y584-V601 HydrophobicContact CE1-CG2 3.82Å; Y584-V601 HydrophobicContact CE2-CG2 4.4Å; Y584-V601 HydrophobicContact CG-CG2 3.86Å; Y584-L609 HydrophobicContact CD2-CD1 4.09Å; Y584-L609 HydrophobicContact CE2-CD1 3.9Å |
| 585 | F | 97.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 127 | 177.1 | -51.8 | -77.9 | 0 | 0 | 0 | 109.4 | K41 Y118 F572 L573 E583 M587 Q593 T595 N596 | K41-F585 HydrophobicContact CD-CZ 4.38Å; K41-F585 HydrophobicContact CG-CZ 4.39Å; Y118-F585 HydrophobicContact CD1-CE2 4.32Å; Y118-F585 AromaticContact CE1-CE2 3.81Å; Y118-F585 HydrophobicContact CE1-CE2 3.81Å; Y118-F585 HydrophobicContact CE1-CZ 4.01Å; F572-F585 CarbonylContact C-O 3.59Å; F572-F585 WeakPolarHBondContact CA-O 3.22Å; F572-F585 WeakPolarHBondContact CB-O 3.43Å; L573-F585 HydrophobicContact CD2-CD2 4.28Å; L573-F585 PolarHBondContact N-O 2.86Å; L573-F585 PolarHBondContact O-N 3.41Å; E583-F585 HydrophobicContact CB-CD2 4.48Å; E583-F585 HydrophobicContact CB-CE2 3.64Å; E583-F585 HydrophobicContact CB-CZ 3.99Å; E583-F585 HydrophobicContact CG-CE2 4.32Å; E583-F585 HydrophobicContact CG-CZ 4.33Å; F585-M587 HydrophobicContact CB-SD 4.43Å; F585-Q593 HydrophobicContact CB-CG 4.12Å; F585-Q593 HydrophobicContact CD1-CB 3.98Å; F585-Q593 HydrophobicContact CD1-CG 4.48Å; F585-Q593 HydrophobicContact CD2-CB 4.39Å; F585-Q593 HydrophobicContact CD2-CG 4.41Å; F585-Q593 HydrophobicContact CE1-CB 4.27Å; F585-Q593 VanDerWaalsContact CE1-O 3.3Å; F585-Q593 WeakPolarHBondContact CE1-O 3.36Å; F585-Q593 HydrophobicContact CG-CB 4.04Å; F585-Q593 HydrophobicContact CG-CG 4.09Å; F585-T595 WeakPolarHBondContact CD1-O 3.39Å; F585-N596 HydrophobicContact CE1-CB 4.11Å; F585-N596 HydrophobicContact CZ-CB 4.39Å |
| 586 | D | 96.1 | Very high | 94.2 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.8 | 165.7 | -173.6 | -22.2 | 0 | 0 | 0 | 108.9 | Y584 N588 T589 D590 | Y584-D586 HydrophobicContact CE1-CB 4.35Å; D586-N588 PolarHBondContact O-N 2.93Å; D586-N588 VanDerWaalsContact OD1-CB 3.3Å; D586-N588 WeakPolarHBondContact OD1-CB 3.47Å; D586-N588 PolarHBondContact OD1-N 3.05Å; D586-T589 PolarHBondContact O-N 2.91Å; D586-T589 PolarHBondContact O-OG1 3.35Å; D586-T589 VanDerWaalsContact O-OG1 3.12Å; D586-D590 WeakPolarHBondContact O-CA 3.3Å; D586-D590 PolarHBondContact O-N 2.64Å |
| 587 | M | 95.1 | Very high | 94.1 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 6% | 0.064 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -11.1 | -174.9 | -51.2 | -66.5 | -63.4 | 0 | 0 | 112.9 | D119 N571 F585 P591 Q593 | D119-M587 HydrophobicContact CB-CE 3.69Å; N571-M587 WeakPolarHBondContact O-CA 3.02Å; N571-M587 WeakPolarHBondContact O-CB 3.44Å; N571-M587 WeakPolarHBondContact O-CG 3.26Å; N571-M587 PolarHBondContact O-N 2.8Å; F585-M587 HydrophobicContact CB-SD 4.43Å; M587-P591 WeakPolarHBondContact CE-O 3.26Å; M587-P591 WeakPolarHBondContact O-CA 3.49Å; M587-Q593 HydrophobicContact CE-CG 3.78Å; M587-Q593 VanDerWaalsContact SD-CD 3.57Å; M587-Q593 HydrophobicContact SD-CG 3.41Å; M587-Q593 WeakPolarHBondContact SD-CG 3.31Å; M587-Q593 PolarHBondContact SD-NE2 2.73Å |
| 588 | N | 94.8 | Very high | 94.2 | Very high | 99 Ų | 99 | 47.1 Ų | 47.1 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -33.3 | 171.1 | -66.7 | -28.3 | 0 | 0 | 0 | 111.3 | N571 D586 | N571-N588 VanDerWaalsContact CB-OD1 3.22Å; N571-N588 WeakPolarHBondContact CB-OD1 3.35Å; N571-N588 PolarHBondContact ND2-OD1 2.81Å; D586-N588 PolarHBondContact O-N 2.93Å; D586-N588 VanDerWaalsContact OD1-CB 3.3Å; D586-N588 WeakPolarHBondContact OD1-CB 3.47Å; D586-N588 PolarHBondContact OD1-N 3.05Å |
| 589 | T | 95.2 | Very high | 94.3 | Very high | 114 Ų | 114 | 50.8 Ų | 50.8 | 70% | 0.699 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -33.3 | 178.3 | 53 | 0 | 0 | 0 | 0 | 113.3 | D586 | D586-T589 PolarHBondContact O-N 2.91Å; D586-T589 PolarHBondContact O-OG1 3.35Å; D586-T589 VanDerWaalsContact O-OG1 3.12Å |
| 590 | D | 95.7 | Very high | 94.6 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | trans | -131.6 | 71.5 | -177.8 | -174.9 | 5.4 | 0 | 0 | 0 | 110.5 | D586 Y592 Q593 L594 T595 | D586-D590 WeakPolarHBondContact O-CA 3.3Å; D586-D590 PolarHBondContact O-N 2.64Å; D590-Y592 PolarHBondContact O-N 3.49Å; D590-Y592 PolarHBondContact OD1-N 3.04Å; D590-Q593 PolarHBondContact O-N 3.38Å; D590-Q593 VanDerWaalsContact O-N 3.14Å; D590-Q593 PolarHBondContact OD1-N 3.42Å; D590-Q593 VanDerWaalsContact OD2-C 3.29Å; D590-L594 PolarHBondContact OD1-N 3.43Å; D590-L594 PolarHBondContact OD2-N 3.36Å; D590-T595 PolarHBondContact OD2-N 3.12Å | ||
| 591 | P | 95.4 | Very high | 94.9 | Very high | 70 Ų | 70 | 49.8 Ų | 49.8 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -9.9 | -179.7 | 26.6 | -35.5 | 0 | 0 | 0 | 113.8 | M587 | M587-P591 WeakPolarHBondContact CE-O 3.26Å; M587-P591 WeakPolarHBondContact O-CA 3.49Å |
| 592 | Y | 95.7 | Very high | 94.9 | Very high | 100 Ų | 100 | 53.1 Ų | 53.1 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 2.7 | 179.1 | -61 | -68.8 | 0 | 0 | 0 | 113.6 | T30 P31 S32 F108 D590 L594 | T30-Y592 HydrophobicContact CG2-CD1 4.19Å; T30-Y592 HydrophobicContact CG2-CE1 3.8Å; P31-Y592 HydrophobicContact CB-CD2 3.94Å; P31-Y592 HydrophobicContact CB-CE2 4.41Å; P31-Y592 HydrophobicContact CB-CG 4.19Å; P31-Y592 HydrophobicContact CG-CD2 3.63Å; P31-Y592 HydrophobicContact CG-CE2 3.59Å; P31-Y592 HydrophobicContact CG-CG 4.17Å; S32-Y592 WeakPolarHBondContact CB-O 3.47Å; F108-Y592 WeakPolarHBondContact CZ-O 3.38Å; D590-Y592 PolarHBondContact O-N 3.49Å; D590-Y592 PolarHBondContact OD1-N 3.04Å; Y592-L594 PolarHBondContact O-N 3.02Å |
| 593 | Q | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | trans | 61.1 | 30 | 172.5 | -59.2 | 167.3 | -50.3 | 0 | 0 | 113.5 | K41 F108 Y118 L573 F585 M587 D590 T595 | K41-Q593 WeakPolarHBondContact CE-O 3.41Å; K41-Q593 PolarHBondContact NZ-O 3.1Å; F108-Q593 HydrophobicContact CZ-CB 4.17Å; F108-Q593 VanDerWaalsContact CZ-O 3.3Å; F108-Q593 WeakPolarHBondContact CZ-O 3.44Å; Y118-Q593 VanDerWaalsContact CB-OE1 3.24Å; Y118-Q593 HydrophobicContact CD1-CB 4.38Å; L573-Q593 VanDerWaalsContact CD2-NE2 3.29Å; F585-Q593 HydrophobicContact CB-CG 4.12Å; F585-Q593 HydrophobicContact CD1-CB 3.98Å; F585-Q593 HydrophobicContact CD1-CG 4.48Å; F585-Q593 HydrophobicContact CD2-CB 4.39Å; F585-Q593 HydrophobicContact CD2-CG 4.41Å; F585-Q593 HydrophobicContact CE1-CB 4.27Å; F585-Q593 VanDerWaalsContact CE1-O 3.3Å; F585-Q593 WeakPolarHBondContact CE1-O 3.36Å; F585-Q593 HydrophobicContact CG-CB 4.04Å; F585-Q593 HydrophobicContact CG-CG 4.09Å; M587-Q593 HydrophobicContact CE-CG 3.78Å; M587-Q593 VanDerWaalsContact SD-CD 3.57Å; M587-Q593 HydrophobicContact SD-CG 3.41Å; M587-Q593 WeakPolarHBondContact SD-CG 3.31Å; M587-Q593 PolarHBondContact SD-NE2 2.73Å; D590-Q593 PolarHBondContact O-N 3.38Å; D590-Q593 VanDerWaalsContact O-N 3.14Å; D590-Q593 PolarHBondContact OD1-N 3.42Å; D590-Q593 VanDerWaalsContact OD2-C 3.29Å; Q593-T595 PolarHBondContact O-N 2.91Å | ||
| 594 | L | 95.5 | Very high | 94.6 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | trans | -64 | -33.4 | -175.9 | -56.8 | -177.3 | 0 | 0 | 0 | 113.9 | P31 Y35 K41 F108 D590 Y592 | P31-L594 HydrophobicContact CB-CD1 4.18Å; Y35-L594 HydrophobicContact CD1-CD2 4.26Å; Y35-L594 HydrophobicContact CD2-CD2 4.47Å; Y35-L594 HydrophobicContact CE1-CB 4.44Å; Y35-L594 WeakPolarHBondContact CE1-O 3.32Å; Y35-L594 HydrophobicContact CG-CD2 4.18Å; K41-L594 PolarHBondContact NZ-O 3.13Å; F108-L594 HydrophobicContact CE1-CD2 4.3Å; D590-L594 PolarHBondContact OD1-N 3.43Å; D590-L594 PolarHBondContact OD2-N 3.36Å; Y592-L594 PolarHBondContact O-N 3.02Å | ||
| 595 | T | 94.1 | Very high | 94.4 | Very high | 70 Ų | 70 | 63 Ų | 63 | 43% | 0.429 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -133.4 | 122.4 | -173.5 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | F585 D590 Q593 T597 | F585-T595 WeakPolarHBondContact CD1-O 3.39Å; D590-T595 PolarHBondContact OD2-N 3.12Å; Q593-T595 PolarHBondContact O-N 2.91Å; T595-T597 PolarHBondContact O-N 3.48Å |
| 596 | N | 95.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 64.1 Ų | 64.1 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | trans | -72.8 | 105.1 | 174.1 | -178.9 | 6.7 | 0 | 0 | 0 | 111.6 | D40 L582 E583 Y584 F585 V598 H599 | D40-N596 HydrophobicContact CB-CB 4.05Å; D40-N596 VanDerWaalsContact O-CB 3.26Å; D40-N596 WeakPolarHBondContact O-CB 3.47Å; D40-N596 PolarHBondContact O-ND2 2.87Å; D40-N596 WeakPolarHBondContact OD2-CB 3.47Å; D40-N596 PolarHBondContact OD2-N 3.01Å; L582-N596 PolarHBondContact O-ND2 2.89Å; E583-N596 WeakPolarHBondContact CA-OD1 3.27Å; Y584-N596 PolarHBondContact N-OD1 2.64Å; Y584-N596 PolarHBondContact O-OD1 2.75Å; F585-N596 HydrophobicContact CE1-CB 4.11Å; F585-N596 HydrophobicContact CZ-CB 4.39Å; N596-V598 VanDerWaalsContact C-N 3.34Å; N596-V598 PolarHBondContact O-N 3.48Å; N596-V598 VanDerWaalsContact OD1-CB 3.26Å; N596-V598 WeakPolarHBondContact OD1-CB 3.49Å; N596-V598 VanDerWaalsContact OD1-CG1 3.25Å; N596-V598 WeakPolarHBondContact OD1-CG1 3.36Å; N596-V598 PolarHBondContact OD1-N 3.02Å; N596-V598 VanDerWaalsContact OD1-N 3.14Å; N596-H599 PolarHBondContact O-ND1 3.37Å | ||
| 597 | T | 94.4 | Very high | 94.2 | Very high | 38 Ų | 38 | 67.3 Ų | 67.3 | 23% | 0.233 | 35% | 0.353 | C | S | . | . | trans | -91.1 | 13.1 | -178 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | Y584 T595 H599 T600 | Y584-T597 PolarHBondContact O-N 3.17Å; Y584-T597 PolarHBondContact O-OG1 2.83Å; T595-T597 PolarHBondContact O-N 3.48Å; T597-H599 PolarHBondContact O-N 2.86Å; T597-T600 PolarHBondContact O-N 3.09Å; T597-T600 PolarHBondContact O-OG1 3.09Å | ||
| 598 | V | 93.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 73.2 Ų | 73.2 | 15% | 0.152 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -25.3 | 179 | 73.3 | 0 | 0 | 0 | 0 | 114.1 | L582 N596 L606 | L582-V598 HydrophobicContact CB-CG2 3.88Å; L582-V598 HydrophobicContact CD1-CG2 4.49Å; N596-V598 VanDerWaalsContact C-N 3.34Å; N596-V598 PolarHBondContact O-N 3.48Å; N596-V598 VanDerWaalsContact OD1-CB 3.26Å; N596-V598 WeakPolarHBondContact OD1-CB 3.49Å; N596-V598 VanDerWaalsContact OD1-CG1 3.25Å; N596-V598 WeakPolarHBondContact OD1-CG1 3.36Å; N596-V598 PolarHBondContact OD1-N 3.02Å; N596-V598 VanDerWaalsContact OD1-N 3.14Å; V598-L606 HydrophobicContact CG2-CD1 4.15Å; V598-L606 HydrophobicContact CG2-CD2 3.81Å |
| 599 | H | 91.8 | Very high | 94.1 | Very high | 144 Ų | 144 | 69 Ų | 69 | 67% | 0.667 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -17.2 | 178.8 | 68.1 | -86.5 | 0 | 0 | 0 | 114.3 | N596 T597 | N596-H599 PolarHBondContact O-ND1 3.37Å; T597-H599 PolarHBondContact O-N 2.86Å |
| 600 | T | 92.1 | Very high | 94.1 | Very high | 100 Ų | 100 | 67.2 Ų | 67.2 | 61% | 0.613 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -13.6 | 174.3 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | T597 | T597-T600 PolarHBondContact O-N 3.09Å; T597-T600 PolarHBondContact O-OG1 3.09Å |
| 601 | V | 92.3 | Very high | 94 | Very high | 23 Ų | 23 | 69.9 Ų | 69.9 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -78 | 136.4 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | Y584 I605 L606 | Y584-V601 HydrophobicContact CD1-CG2 3.62Å; Y584-V601 HydrophobicContact CD2-CG2 4.23Å; Y584-V601 HydrophobicContact CE1-CG2 3.82Å; Y584-V601 HydrophobicContact CE2-CG2 4.4Å; Y584-V601 HydrophobicContact CG-CG2 3.86Å; V601-I605 HydrophobicContact CG1-CB 3.89Å; V601-I605 HydrophobicContact CG1-CG2 3.78Å; V601-L606 HydrophobicContact CB-CD2 3.91Å; V601-L606 HydrophobicContact CB-CG 4.11Å; V601-L606 HydrophobicContact CG1-CD2 3.73Å; V601-L606 HydrophobicContact CG1-CG 3.86Å |
| 602 | E | 93.3 | Very high | 93.9 | Very high | 132 Ų | 132 | 68.3 Ų | 68.3 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | trans | -65 | 141.9 | -179.2 | -155.2 | -141.1 | 113.9 | 0 | 0 | 112 | G604 I605 L606 | E602-G604 PolarHBondContact O-N 3.4Å; E602-G604 PolarHBondContact OE1-N 2.94Å; E602-I605 HydrophobicContact CB-CD1 4.09Å; E602-I605 HydrophobicContact CB-CG1 4.24Å; E602-I605 PolarHBondContact O-N 2.9Å; E602-L606 PolarHBondContact O-N 3.05Å | ||
| 603 | R | 91.6 | Very high | 93.8 | Very high | 179 Ų | 179 | 63.6 Ų | 63.6 | 68% | 0.675 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.7 | -32.3 | 179.3 | -64.1 | -179.3 | -176.7 | 172.5 | 1.2 | 112.5 | N607 | R603-N607 PolarHBondContact O-N 2.97Å; R603-N607 VanDerWaalsContact O-N 3.1Å; R603-N607 PolarHBondContact O-ND2 3.19Å; R603-N607 VanDerWaalsContact O-ND2 3.15Å |
| 604 | G | 92.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 67.3 Ų | 67.3 | 27% | 0.268 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E602 N607 Q608 | E602-G604 PolarHBondContact O-N 3.4Å; E602-G604 PolarHBondContact OE1-N 2.94Å; G604-N607 PolarHBondContact O-N 3.1Å; G604-Q608 WeakPolarHBondContact O-CG 3.12Å; G604-Q608 PolarHBondContact O-N 3.29Å; G604-Q608 VanDerWaalsContact O-N 3.16Å |
| 605 | I | 93.7 | Very high | 93.4 | Very high | 75 Ų | 75 | 70.5 Ų | 70.5 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 178 | -60.2 | 170.8 | 0 | 0 | 0 | 110.3 | V601 E602 N607 Q608 L609 | V601-I605 HydrophobicContact CG1-CB 3.89Å; V601-I605 HydrophobicContact CG1-CG2 3.78Å; E602-I605 HydrophobicContact CB-CD1 4.09Å; E602-I605 HydrophobicContact CB-CG1 4.24Å; E602-I605 PolarHBondContact O-N 2.9Å; I605-N607 VanDerWaalsContact C-N 3.27Å; I605-N607 PolarHBondContact O-N 2.81Å; I605-Q608 WeakPolarHBondContact O-CA 3.27Å; I605-Q608 WeakPolarHBondContact O-CB 3.46Å; I605-Q608 PolarHBondContact O-N 2.98Å; I605-L609 HydrophobicContact CG2-CD1 4.06Å; I605-L609 HydrophobicContact CG2-CG 4.24Å; I605-L609 WeakPolarHBondContact O-CG 3.34Å; I605-L609 PolarHBondContact O-N 3.49Å |
| 606 | L | 93.9 | Very high | 93.3 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.1 | -39.6 | 177.8 | -66.7 | 176.8 | 0 | 0 | 0 | 112.5 | F574 V598 V601 E602 L609 H610 | F574-L606 HydrophobicContact CD2-CD2 4.46Å; F574-L606 HydrophobicContact CE2-CD2 4.02Å; V598-L606 HydrophobicContact CG2-CD1 4.15Å; V598-L606 HydrophobicContact CG2-CD2 3.81Å; V601-L606 HydrophobicContact CB-CD2 3.91Å; V601-L606 HydrophobicContact CB-CG 4.11Å; V601-L606 HydrophobicContact CG1-CD2 3.73Å; V601-L606 HydrophobicContact CG1-CG 3.86Å; E602-L606 PolarHBondContact O-N 3.05Å; L606-L609 PolarHBondContact O-N 3.06Å; L606-H610 PolarHBondContact O-N 3.33Å |
| 607 | N | 94 | Very high | 93.1 | Very high | 110 Ų | 110 | 71.4 Ų | 71.4 | 59% | 0.588 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.8 | -37.1 | 174.8 | -70.8 | -27.8 | 0 | 0 | 0 | 112.5 | R603 G604 I605 V611 | R603-N607 PolarHBondContact O-N 2.97Å; R603-N607 VanDerWaalsContact O-N 3.1Å; R603-N607 PolarHBondContact O-ND2 3.19Å; R603-N607 VanDerWaalsContact O-ND2 3.15Å; G604-N607 PolarHBondContact O-N 3.1Å; I605-N607 VanDerWaalsContact C-N 3.27Å; I605-N607 PolarHBondContact O-N 2.81Å; N607-V611 WeakPolarHBondContact O-CG2 3.28Å; N607-V611 PolarHBondContact O-N 3.2Å; N607-V611 VanDerWaalsContact O-N 3.09Å |
| 608 | Q | 93.8 | Very high | 92.9 | Very high | 137 Ų | 137 | 74 Ų | 74 | 64% | 0.64 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.9 | -42.1 | 175 | -68.5 | 172 | 10.3 | 0 | 0 | 111.5 | G604 I605 V611 Q612 | G604-Q608 WeakPolarHBondContact O-CG 3.12Å; G604-Q608 PolarHBondContact O-N 3.29Å; G604-Q608 VanDerWaalsContact O-N 3.16Å; I605-Q608 WeakPolarHBondContact O-CA 3.27Å; I605-Q608 WeakPolarHBondContact O-CB 3.46Å; I605-Q608 PolarHBondContact O-N 2.98Å; Q608-V611 PolarHBondContact O-N 3.37Å; Q608-Q612 WeakPolarHBondContact O-CB 3.08Å; Q608-Q612 PolarHBondContact O-N 3.02Å |
| 609 | L | 94.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 74.3 Ų | 74.3 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 175.8 | -62.4 | 174.8 | 0 | 0 | 0 | 111.7 | L563 F572 F574 Y584 I605 L606 Q612 L613 | L563-L609 HydrophobicContact CD2-CD2 3.83Å; F572-L609 HydrophobicContact CE2-CD2 3.72Å; F572-L609 HydrophobicContact CZ-CD2 3.56Å; F574-L609 HydrophobicContact CB-CD1 4.28Å; F574-L609 HydrophobicContact CD1-CB 3.67Å; F574-L609 HydrophobicContact CD1-CD1 4.43Å; F574-L609 HydrophobicContact CD2-CD1 4.29Å; F574-L609 HydrophobicContact CE1-CB 3.76Å; F574-L609 HydrophobicContact CG-CB 4.17Å; F574-L609 HydrophobicContact CG-CD1 4.08Å; F574-L609 HydrophobicContact CZ-CB 4.35Å; Y584-L609 HydrophobicContact CD2-CD1 4.09Å; Y584-L609 HydrophobicContact CE2-CD1 3.9Å; I605-L609 HydrophobicContact CG2-CD1 4.06Å; I605-L609 HydrophobicContact CG2-CG 4.24Å; I605-L609 WeakPolarHBondContact O-CG 3.34Å; I605-L609 PolarHBondContact O-N 3.49Å; L606-L609 PolarHBondContact O-N 3.06Å; L609-Q612 PolarHBondContact O-N 3.24Å; L609-L613 VanDerWaalsContact O-CB 3.26Å; L609-L613 WeakPolarHBondContact O-CB 3.26Å; L609-L613 PolarHBondContact O-N 3.12Å |
| 610 | H | 94.5 | Very high | 92.7 | Very high | 75 Ų | 75 | 73.7 Ų | 73.7 | 35% | 0.347 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 172.2 | 177.9 | 73.4 | 0 | 0 | 0 | 112.1 | E576 L606 L613 M614 | E576-H610 WeakPolarHBondContact OE1-CB 3.15Å; E576-H610 IonicContact OE1-CE1 2.77Å; E576-H610 IonicContact OE1-CG 2.63Å; E576-H610 IonicContact OE1-ND1 2.63Å; E576-H610 PolarHBondContact OE1-ND1 3.1Å; E576-H610 IonicContact OE2-CE1 3.61Å; E576-H610 PolarHBondContact OE2-CE1 2.99Å; E576-H610 IonicContact OE2-ND1 3.89Å; E576-H610 PolarHBondContact OE2-ND1 2.8Å; L606-H610 PolarHBondContact O-N 3.33Å; H610-L613 PolarHBondContact O-N 2.97Å; H610-M614 WeakPolarHBondContact O-CB 3.32Å; H610-M614 VanDerWaalsContact O-CG 3.26Å; H610-M614 WeakPolarHBondContact O-CG 3.46Å; H610-M614 PolarHBondContact O-N 3.14Å |
| 611 | V | 94.1 | Very high | 92.6 | Very high | 78 Ų | 78 | 69 Ų | 69 | 47% | 0.473 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 178.3 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | N607 Q608 L613 M614 E615 | N607-V611 WeakPolarHBondContact O-CG2 3.28Å; N607-V611 PolarHBondContact O-N 3.2Å; N607-V611 VanDerWaalsContact O-N 3.09Å; Q608-V611 PolarHBondContact O-N 3.37Å; V611-L613 VanDerWaalsContact C-N 3.31Å; V611-L613 PolarHBondContact O-N 2.73Å; V611-M614 PolarHBondContact O-N 3.34Å; V611-M614 VanDerWaalsContact O-N 3.08Å; V611-E615 HydrophobicContact CG1-CG 4.45Å; V611-E615 WeakPolarHBondContact O-CG 3.38Å; V611-E615 PolarHBondContact O-N 2.91Å |
| 612 | Q | 93.1 | Very high | 92.3 | Very high | 38 Ų | 38 | 71.2 Ų | 71.2 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 178.7 | -172.7 | 176.4 | -8.2 | 0 | 0 | 112.6 | T194 L563 Q608 L609 L616 | T194-Q612 PolarHBondContact OG1-NE2 2.85Å; L563-Q612 HydrophobicContact CD1-CG 4.15Å; L563-Q612 HydrophobicContact CD2-CB 4.24Å; L563-Q612 HydrophobicContact CD2-CG 4.13Å; Q608-Q612 WeakPolarHBondContact O-CB 3.08Å; Q608-Q612 PolarHBondContact O-N 3.02Å; L609-Q612 PolarHBondContact O-N 3.24Å; Q612-L616 PolarHBondContact O-N 2.84Å |
| 613 | L | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 172.7 | -177.2 | 68.9 | 0 | 0 | 0 | 111.4 | L196 W561 L563 F574 E576 L609 H610 V611 L616 R617 | L196-L613 HydrophobicContact CD1-CD1 3.65Å; W561-L613 HydrophobicContact CB-CD1 4.09Å; W561-L613 HydrophobicContact CB-CD2 4.08Å; W561-L613 HydrophobicContact CB-CG 4.29Å; L563-L613 HydrophobicContact CB-CD1 4.2Å; F574-L613 HydrophobicContact CE1-CD2 4.37Å; E576-L613 HydrophobicContact CB-CD2 3.95Å; E576-L613 HydrophobicContact CG-CD2 3.55Å; L609-L613 VanDerWaalsContact O-CB 3.26Å; L609-L613 WeakPolarHBondContact O-CB 3.26Å; L609-L613 PolarHBondContact O-N 3.12Å; H610-L613 PolarHBondContact O-N 2.97Å; V611-L613 VanDerWaalsContact C-N 3.31Å; V611-L613 PolarHBondContact O-N 2.73Å; L613-L616 PolarHBondContact O-N 2.04Å; L613-R617 WeakPolarHBondContact O-CB 3.38Å; L613-R617 WeakPolarHBondContact O-CG 3.07Å; L613-R617 PolarHBondContact O-N 2.98Å |
| 614 | M | 92.1 | Very high | 91.6 | Very high | 81 Ų | 81 | 69.6 Ų | 69.6 | 40% | 0.399 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.4 | -31 | 179.4 | -68.3 | -67.6 | -77.9 | 0 | 0 | 112.8 | H610 V611 R617 S618 | H610-M614 WeakPolarHBondContact O-CB 3.32Å; H610-M614 VanDerWaalsContact O-CG 3.26Å; H610-M614 WeakPolarHBondContact O-CG 3.46Å; H610-M614 PolarHBondContact O-N 3.14Å; V611-M614 PolarHBondContact O-N 3.34Å; V611-M614 VanDerWaalsContact O-N 3.08Å; M614-R617 PolarHBondContact O-N 3.36Å; M614-R617 PolarHBondContact SD-NH1 3.01Å; M614-S618 WeakPolarHBondContact O-CB 3.06Å; M614-S618 PolarHBondContact O-N 3.22Å; M614-S618 PolarHBondContact O-OG 3.49Å |
| 615 | E | 92.1 | Very high | 91.4 | Very high | 105 Ų | 105 | 69.2 Ų | 69.2 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.9 | -54.8 | 167.7 | -72.9 | 170.6 | 176.8 | 0 | 0 | 110.9 | V611 R617 S618 C619 | V611-E615 HydrophobicContact CG1-CG 4.45Å; V611-E615 WeakPolarHBondContact O-CG 3.38Å; V611-E615 PolarHBondContact O-N 2.91Å; E615-R617 PolarHBondContact O-N 3.12Å; E615-S618 CarbonylContact O-C 3.38Å; E615-S618 PolarHBondContact O-N 3.3Å; E615-S618 PolarHBondContact O-OG 2.99Å; E615-C619 PolarHBondContact O-N 2.88Å |
| 616 | L | 92.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.9 | -20.3 | 178.5 | -69.7 | -177 | 0 | 0 | 0 | 114 | T194 L196 L563 Q612 L613 C619 P627 | T194-L616 HydrophobicContact CG2-CD1 4.27Å; L196-L616 HydrophobicContact CB-CB 4.17Å; L563-L616 HydrophobicContact CD1-CD1 3.56Å; Q612-L616 PolarHBondContact O-N 2.84Å; L613-L616 PolarHBondContact O-N 2.04Å; L616-C619 PolarHBondContact O-SG 3.45Å; L616-P627 HydrophobicContact CD2-CG 4.19Å |
| 617 | R | 90.9 | Very high | 89.6 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -9.9 | 172.4 | -73.2 | 176.6 | 68.6 | -163.5 | -0 | 114.6 | L196 W561 L613 M614 E615 | L196-R617 HydrophobicContact CD1-CG 3.83Å; L196-R617 HydrophobicContact CD2-CG 3.75Å; L196-R617 HydrophobicContact CG-CG 4.49Å; W561-R617 HydrophobicContact CG-CG 4.45Å; L613-R617 WeakPolarHBondContact O-CB 3.38Å; L613-R617 WeakPolarHBondContact O-CG 3.07Å; L613-R617 PolarHBondContact O-N 2.98Å; M614-R617 PolarHBondContact O-N 3.36Å; M614-R617 PolarHBondContact SD-NH1 3.01Å; E615-R617 PolarHBondContact O-N 3.12Å |
| 618 | S | 90.9 | Very high | 88.3 | Confident | 92 Ų | 92 | 70 Ų | 70 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | -2.8 | -178.4 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | M614 E615 | M614-S618 WeakPolarHBondContact O-CB 3.06Å; M614-S618 PolarHBondContact O-N 3.22Å; M614-S618 PolarHBondContact O-OG 3.49Å; E615-S618 CarbonylContact O-C 3.38Å; E615-S618 PolarHBondContact O-N 3.3Å; E615-S618 PolarHBondContact O-OG 2.99Å |
| 619 | C | 90.8 | Very high | 86.8 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | trans | -62.4 | 156.9 | 171.8 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | E615 L616 Q624 C625 | E615-C619 PolarHBondContact O-N 2.88Å; L616-C619 PolarHBondContact O-SG 3.45Å; C619-Q624 HydrophobicContact CB-CB 3.75Å; C619-C625 VanDerWaalsContact C-SG 3.5Å; C619-C625 HydrophobicContact CB-CB 3.99Å; C619-C625 WeakPolarHBondContact CB-SG 3.36Å; C619-C625 WeakPolarHBondContact SG-CA 3.18Å; C619-C625 WeakPolarHBondContact SG-CB 3.46Å; C619-C625 CovalentContact SG-SG 2.04Å; C619-C625 PolarHBondContact SG-SG 2.94Å | ||
| 620 | Q | 90.8 | Very high | 85 | Confident | 132 Ų | 132 | 72 Ų | 72 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | trans | -141.6 | 131.1 | 166 | -173.4 | -179.9 | -1.6 | 0 | 0 | 110.4 | Q624 | Q620-Q624 PolarHBondContact O-OE1 3.05Š| ||
| 621 | G | 89.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 78.4 | 154.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | P162 V164 D165 K623 Q624 C625 | P162-G621 VanDerWaalsContact O-CA 3.3Å; P162-G621 WeakPolarHBondContact O-CA 3.34Å; V164-G621 CarbonylContact O-C 3.59Å; D165-G621 WeakPolarHBondContact OD1-CA 3.34Å; D165-G621 PolarHBondContact OD1-N 3.15Å; G621-K623 PolarHBondContact O-N 3.15Å; G621-Q624 PolarHBondContact O-N 2.88Å; G621-C625 PolarHBondContact O-N 3.24Å |
| 622 | Y | 85.9 | Confident | 80.2 | Confident | 69 Ų | 69 | 75.2 Ų | 75.2 | 27% | 0.271 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.6 | -170.3 | 71.8 | -98.3 | 0 | 0 | 0 | 115.1 | T160 V164 D165 G166 K167 N626 | T160-Y622 HydrophobicContact CG2-CD1 4.32Å; T160-Y622 HydrophobicContact CG2-CE1 4.45Å; V164-Y622 WeakPolarHBondContact O-CB 3.33Å; V164-Y622 PolarHBondContact O-N 3.36Å; D165-Y622 WeakPolarHBondContact O-CA 3.28Å; G166-Y622 VanDerWaalsContact O-CB 3.26Å; G166-Y622 WeakPolarHBondContact O-CB 3.43Å; K167-Y622 WeakPolarHBondContact CE-O 3.28Å; K167-Y622 HydrophobicContact CG-CD2 4.28Å; K167-Y622 HydrophobicContact CG-CG 4.37Å; Y622-N626 WeakPolarHBondContact CA-ND2 3.47Å; Y622-N626 WeakPolarHBondContact O-CB 3.46Å; Y622-N626 PolarHBondContact O-ND2 3.25Å |
| 623 | K | 84.4 | Confident | 77.5 | Confident | 157 Ų | 157 | 80.3 Ų | 80.3 | 68% | 0.683 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -29.4 | 177.1 | -64.2 | -176 | 179.7 | 179 | 0 | 112.7 | G621 | G621-K623 PolarHBondContact O-N 3.15Š|
| 624 | Q | 86.5 | Confident | 74.9 | Confident | 120 Ų | 120 | 85.5 Ų | 85.5 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -46.7 | 177.4 | -59.8 | -177.3 | 1.1 | 0 | 0 | 110.9 | C619 Q620 G621 N626 | C619-Q624 HydrophobicContact CB-CB 3.75Å; Q620-Q624 PolarHBondContact O-OE1 3.05Å; G621-Q624 PolarHBondContact O-N 2.88Å; Q624-N626 PolarHBondContact O-N 3.26Å; Q624-N626 VanDerWaalsContact O-N 3.11Å |
| 625 | C | 87.1 | Confident | 72.2 | Confident | 19 Ų | 19 | 85.1 Ų | 85.1 | 13% | 0.128 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -74.2 | -0.4 | -174 | -61.4 | 0 | 0 | 0 | 0 | 115.2 | D165 C619 G621 | D165-C625 HydrophobicContact CB-CB 4.04Å; D165-C625 PolarHBondContact OD1-SG 3.14Å; C619-C625 VanDerWaalsContact C-SG 3.5Å; C619-C625 HydrophobicContact CB-CB 3.99Å; C619-C625 WeakPolarHBondContact CB-SG 3.36Å; C619-C625 WeakPolarHBondContact SG-CA 3.18Å; C619-C625 WeakPolarHBondContact SG-CB 3.46Å; C619-C625 CovalentContact SG-SG 2.04Å; C619-C625 PolarHBondContact SG-SG 2.94Å; G621-C625 PolarHBondContact O-N 3.24Å |
| 626 | N | 81.6 | Confident | 69.3 | Low | 8 Ų | 8 | 87 Ų | 87 | 4% | 0.043 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -132.6 | 77.1 | 173.6 | -57 | -92.2 | 0 | 0 | 0 | 109.3 | D165 K167 R192 Y622 Q624 | D165-N626 PolarHBondContact O-ND2 3.15Å; K167-N626 HydrophobicContact CD-CB 4.13Å; K167-N626 PolarHBondContact NZ-O 3.3Å; R192-N626 HydrophobicContact CB-CB 4.35Å; R192-N626 WeakPolarHBondContact CD-OD1 3.35Å; R192-N626 PolarHBondContact NE-OD1 3.08Å; R192-N626 VanDerWaalsContact NE-OD1 3.11Å; R192-N626 PolarHBondContact NH1-OD1 3.12Å; Y622-N626 WeakPolarHBondContact CA-ND2 3.47Å; Y622-N626 WeakPolarHBondContact O-CB 3.46Å; Y622-N626 PolarHBondContact O-ND2 3.25Å; Q624-N626 PolarHBondContact O-N 3.26Å; Q624-N626 VanDerWaalsContact O-N 3.11Å |
| 627 | P | 69.2 | Low | 66.6 | Low | 40 Ų | 40 | 96.3 Ų | 96.3 | 26% | 0.26 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 151.8 | 173.6 | 24.1 | -34.4 | 0 | 0 | 0 | 110.7 | L616 | L616-P627 HydrophobicContact CD2-CG 4.19Š|
| 628 | R | 66 | Low | 63.7 | Low | 178 Ų | 178 | 99.1 Ų | 99.1 | 67% | 0.672 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 146.9 | 172.3 | -66 | -177.1 | -179.9 | 174.6 | 1 | 109.4 | I190 K630 | I190-R628 HydrophobicContact CG2-CB 4.45Å; I190-R628 HydrophobicContact CG2-CG 4.1Å; R628-K630 PolarHBondContact O-N 3.11Å |
| 629 | P | 62.8 | Low | 60.8 | Low | 27 Ų | 27 | 99 Ų | 99 | 18% | 0.175 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 122.5 | 169.5 | -23.7 | 34.6 | 0 | 0 | 0 | 109.7 | W191 D193 N631 L632 | W191-P629 VanDerWaalsContact O-CD 3.25Å; W191-P629 WeakPolarHBondContact O-CD 3.24Å; W191-P629 WeakPolarHBondContact O-CG 3.29Å; D193-P629 HydrophobicContact CB-CG 4.36Å; D193-P629 WeakPolarHBondContact OD2-CB 3.42Å; P629-N631 PolarHBondContact O-N 3.43Å; P629-L632 PolarHBondContact O-N 3.41Å |
| 630 | K | 56.2 | Low | 57.8 | Low | 162 Ų | 162 | 101 Ų | 101 | 70% | 0.704 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -2.6 | -169.1 | -64.6 | -175.2 | 178.6 | -179.4 | 0 | 114.7 | R628 | R628-K630 PolarHBondContact O-N 3.11Š|
| 631 | N | 46.8 | Very low | 54.8 | Low | 145 Ų | 145 | 100.6 Ų | 100.6 | 78% | 0.775 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 3.7 | -178.4 | -65 | -15.4 | 0 | 0 | 0 | 114.2 | P629 | P629-N631 PolarHBondContact O-N 3.43Š|
| 632 | L | 41.6 | Very low | 51.9 | Low | 77 Ų | 77 | 111 Ų | 111 | 40% | 0.403 | 61% | 0.605 | S | S | . | * | trans | -115.5 | 33.3 | -173.8 | -79.6 | 172.1 | 0 | 0 | 0 | 115 | P629 V634 | P629-L632 PolarHBondContact O-N 3.41Å; L632-V634 PolarHBondContact O-N 2.65Å | ||
| 633 | D | 37.1 | Very low | 49.2 | Very low | 145 Ų | 145 | 115.1 Ų | 115.1 | 78% | 0.775 | 63% | 0.632 | S | S | * | * | trans | -74.1 | 68 | 171.9 | -86 | -21.5 | 0 | 0 | 0 | 113 | G635 | D633-G635 PolarHBondContact O-N 3.14Å; D633-G635 VanDerWaalsContact O-N 3.11Å | ||
| 634 | V | 38.7 | Very low | 46.7 | Very low | 108 Ų | 108 | 114.8 Ų | 114.8 | 66% | 0.655 | 64% | 0.637 | S | S | * | * | trans | -74.1 | 94.7 | 156.8 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | L632 N636 | L632-V634 PolarHBondContact O-N 2.65Å; V634-N636 PolarHBondContact O-N 2.7Å; V634-N636 VanDerWaalsContact O-N 3.1Å | ||
| 635 | G | 35.2 | Very low | 44 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 75% | 0.753 | 65% | 0.653 | S | S | * | * | trans | -53.2 | 110.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D633 | D633-G635 PolarHBondContact O-N 3.14Å; D633-G635 VanDerWaalsContact O-N 3.11Å | ||
| 636 | N | 30.2 | Very low | 41.3 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -92.6 | 123.2 | 161.7 | -123.8 | 47.7 | 0 | 0 | 0 | 108.1 | V634 D638 | V634-N636 PolarHBondContact O-N 2.7Å; V634-N636 VanDerWaalsContact O-N 3.1Å; N636-D638 PolarHBondContact O-N 3.46Å; N636-D638 VanDerWaalsContact O-N 3.08Å | ||
| 637 | K | 35.8 | Very low | 38.7 | Very low | 210 Ų | 210 | 136.7 Ų | 136.7 | 91% | 0.913 | 73% | 0.728 | S | S | * | * | trans | -78.9 | 87.6 | 177.1 | -72.8 | -175.9 | 178.3 | -179.6 | 0 | 111 | ||||
| 638 | D | 31.6 | Very low | 36.7 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -133.1 | 110.3 | 156.4 | -76.6 | -60.3 | 0 | 0 | 0 | 107.5 | N636 | N636-D638 PolarHBondContact O-N 3.46Å; N636-D638 VanDerWaalsContact O-N 3.08Å | ||
| 639 | G | 29.3 | Very low | 35 | Very low | 89 Ų | 89 | 141.9 Ų | 141.9 | 92% | 0.918 | 77% | 0.765 | S | S | * | * | trans | -83.5 | 136 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 640 | G | 26.7 | Very low | 33.5 | Very low | 74 Ų | 74 | 150.4 Ų | 150.4 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -173.4 | 94.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 641 | S | 27.8 | Very low | 32.2 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | 78 | 147.5 | 175.3 | -158.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 642 | Y | 30.6 | Very low | 31.4 | Very low | 220 Ų | 220 | 150.3 Ų | 150.3 | 86% | 0.863 | 81% | 0.811 | S | S | * | * | trans | -84 | 142.7 | -175.8 | -62.2 | -102.4 | 0 | 0 | 0 | 111.4 | ||||
| 643 | D | 28.8 | Very low | 30.9 | Very low | 155 Ų | 155 | 152.1 Ų | 152.1 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | -117.5 | 136 | 158.7 | -166.2 | -11.7 | 0 | 0 | 0 | 108.4 | ||||
| 644 | L | 32.3 | Very low | 30.5 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | trans | -132.5 | 38.8 | -165.1 | -162.7 | 101.8 | 0 | 0 | 0 | 113.1 | ||||
| 645 | H | 29.1 | Very low | 30.2 | Very low | 193 Ų | 193 | 152.4 Ų | 152.4 | 89% | 0.894 | 84% | 0.844 | S | S | * | * | trans | -136.4 | 76.4 | 165.1 | -107.5 | 44.5 | 0 | 0 | 0 | 112.2 | ||||
| 646 | R | 31 | Very low | 29.9 | Very low | 244 Ų | 244 | 153 Ų | 153 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -122.2 | 94 | 176 | -173.9 | -169.9 | -172.2 | -147.3 | 3.1 | 111.5 | ||||
| 647 | M | 27.1 | Very low | 30 | Very low | 169 Ų | 169 | 152 Ų | 152 | 83% | 0.833 | 84% | 0.843 | S | S | * | * | trans | -168.6 | 158.6 | 160 | -96.8 | -102.5 | 84.1 | 0 | 0 | 110.2 | ||||
| 648 | L | 27.4 | Very low | 29.7 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 83% | 0.832 | 84% | 0.843 | S | S | * | * | trans | 65.8 | 69.4 | 166.7 | -65.4 | 159.2 | 0 | 0 | 0 | 117.8 | ||||
| 649 | L | 29.9 | Very low | 29.7 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 88% | 0.88 | 85% | 0.846 | S | S | * | * | trans | -130.3 | 95.8 | 145.3 | -94.9 | 174 | 0 | 0 | 0 | 109.1 | ||||
| 650 | F | 31.8 | Very low | 29.7 | Very low | 207 Ų | 207 | 151.5 Ų | 151.5 | 91% | 0.908 | 84% | 0.844 | S | S | * | * | trans | -156.3 | 147.3 | 169.2 | -90.6 | -68.9 | 0 | 0 | 0 | 110.3 | ||||
| 651 | L | 28.8 | Very low | 29.8 | Very low | 161 Ų | 161 | 159.6 Ų | 159.6 | 84% | 0.843 | 85% | 0.851 | S | S | * | * | trans | 70.6 | 88.2 | 170.5 | -57.3 | 173.6 | 0 | 0 | 0 | 118.7 | ||||
| 652 | V | 28.5 | Very low | 29.9 | Very low | 143 Ų | 143 | 158 Ų | 158 | 87% | 0.867 | 85% | 0.845 | S | S | * | * | -134 | 131.4 | 126.5 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 653 | P | 32.7 | Very low | 29.8 | Very low | 116 Ų | 116 | 156.6 Ų | 156.6 | 75% | 0.753 | 85% | 0.849 | S | S | * | * | trans | -90 | 134.5 | -175.9 | 33.3 | -33.2 | 0 | 0 | 0 | 113.3 | ||||
| 654 | C | 28.2 | Very low | 29.8 | Very low | 136 Ų | 136 | 156.1 Ų | 156.1 | 92% | 0.919 | 85% | 0.851 | S | S | * | * | trans | -85.8 | 111.4 | 162.6 | -78.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 655 | S | 30.9 | Very low | 29.7 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | trans | -85.9 | 108.2 | 170.3 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 656 | A | 28.8 | Very low | 29.8 | Very low | 85 Ų | 85 | 151.6 Ų | 151.6 | 70% | 0.702 | 84% | 0.842 | S | S | * | * | trans | -114.9 | 126.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 657 | P | 32.4 | Very low | 29.7 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 84% | 0.839 | S | S | * | * | trans | -76.1 | 134.5 | 177.4 | 30.6 | -33 | 0 | 0 | 0 | 110.7 | ||||
| 658 | L | 30.9 | Very low | 30 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | trans | -74.7 | 131.1 | 166.2 | -68.8 | 98.1 | 0 | 0 | 0 | 109.6 | ||||
| 659 | T | 31.1 | Very low | 30.5 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 84% | 0.84 | 86% | 0.855 | S | S | * | * | trans | -111.7 | 131.5 | 160.2 | 46.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 660 | S | 29.2 | Very low | 30.5 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 87% | 0.867 | 85% | 0.853 | S | S | * | * | trans | -77.6 | 142.4 | -172.4 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | A662 | S660-A662 PolarHBondContact O-N 3.14Š| ||
| 661 | R | 29.6 | Very low | 30.4 | Very low | 244 Ų | 244 | 143.7 Ų | 143.7 | 92% | 0.921 | 85% | 0.851 | S | S | * | * | trans | -96 | 84.7 | -178.9 | -162.9 | 179.8 | -165.9 | 179.4 | 4.6 | 110.1 | ||||
| 662 | A | 28.6 | Very low | 30.5 | Very low | 89 Ų | 89 | 142.7 Ų | 142.7 | 74% | 0.736 | 85% | 0.851 | S | S | * | * | trans | -74 | 138.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | S660 | S660-A662 PolarHBondContact O-N 3.14Š| ||
| 663 | M | 29.1 | Very low | 30.7 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 93% | 0.931 | 85% | 0.85 | S | S | * | * | trans | -88.8 | 136.2 | 167 | -71.6 | 174 | 159.7 | 0 | 0 | 109.7 | ||||
| 664 | V | 29.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 89% | 0.885 | 86% | 0.856 | S | S | * | * | trans | -139.9 | 139.1 | 157.8 | -177.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 665 | S | 29 | Very low | 30.7 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 64% | 0.643 | 85% | 0.852 | S | S | * | * | trans | -95.2 | 166.9 | -177.5 | -43 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 666 | D | 31.5 | Very low | 30.7 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 85% | 0.851 | S | S | * | * | trans | 43.4 | 115.4 | 148.3 | -48.5 | -36.3 | 0 | 0 | 0 | 120.4 | ||||
| 667 | A | 28.7 | Very low | 30.8 | Very low | 104 Ų | 104 | 151.2 Ų | 151.2 | 86% | 0.86 | 86% | 0.863 | S | S | * | * | -167.2 | 143.6 | 123.7 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 668 | S | 34.4 | Very low | 30.7 | Very low | 111 Ų | 111 | 153.7 Ų | 153.7 | 78% | 0.776 | 87% | 0.869 | S | S | * | * | trans | -73.7 | 143.4 | 177.8 | -36.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 669 | F | 36.6 | Very low | 30.7 | Very low | 278 Ų | 278 | 151.9 Ų | 151.9 | 100% | 1.219 | 87% | 0.865 | S | S | * | * | -162.8 | 0 | 108.9 | -119.9 | -79 | 0 | 0 | 0 | 111.8 |
Retrieved 669 of 669 residues in 438.9 ms
(Link to these results)