| 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 | 34.1 | Very low | 45.3 | Very low | 240 Ų | 240 | 100.1 Ų | 100.1 | 100% | 1.182 | 56% | 0.558 | S | S | * | * | 0 | 132.8 | 0 | -63 | 176.2 | -174.5 | 0 | 0 | 106.9 | |||||
| 2 | A | 31.4 | Very low | 46.7 | Very low | 102 Ų | 102 | 104.5 Ų | 104.5 | 84% | 0.843 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 140 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 3 | L | 34.7 | Very low | 48.2 | Very low | 103 Ų | 103 | 102.6 Ų | 102.6 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -80.3 | 139.9 | 175.5 | -67.9 | 164.4 | 0 | 0 | 0 | 109 | Y7 | L3-Y7 HydrophobicContact CB-CD1 4.47Å; L3-Y7 HydrophobicContact CB-CG 4.22Å; L3-Y7 HydrophobicContact CD1-CD1 3.73Å; L3-Y7 HydrophobicContact CD1-CE1 3.87Å; L3-Y7 HydrophobicContact CD1-CG 4.27Å; L3-Y7 HydrophobicContact CD2-CD1 4.22Å; L3-Y7 HydrophobicContact CD2-CD2 3.97Å; L3-Y7 HydrophobicContact CD2-CE1 4.19Å; L3-Y7 HydrophobicContact CD2-CE2 3.96Å; L3-Y7 HydrophobicContact CD2-CG 4.1Å; L3-Y7 HydrophobicContact CG-CD1 4.36Å; L3-Y7 HydrophobicContact CG-CG 4.43Å |
| 4 | P | 37.3 | Very low | 50.1 | Low | 58 Ų | 58 | 95.4 Ų | 95.4 | 38% | 0.377 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 154 | 179.7 | -14.2 | 27.1 | 0 | 0 | 0 | 112.4 | G6 Y7 H51 | P4-G6 PolarHBondContact O-N 2.83Å; P4-Y7 WeakPolarHBondContact O-CB 3.4Å; P4-Y7 PolarHBondContact O-N 3.27Å; P4-H51 WeakPolarHBondContact CG-NE2 3.29Å |
| 5 | N | 37.7 | Very low | 51.5 | Low | 174 Ų | 174 | 91.6 Ų | 91.6 | 93% | 0.93 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 21.8 | -176.5 | -61.9 | 7.9 | 0 | 0 | 0 | 116.5 | ||
| 6 | G | 44.5 | Very low | 52.6 | Low | 40 Ų | 40 | 91.1 Ų | 91.1 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -10.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114 | P4 D8 K9 L10 | P4-G6 PolarHBondContact O-N 2.83Å; G6-D8 PolarHBondContact O-N 3.44Å; G6-K9 PolarHBondContact O-N 2.97Å; G6-L10 PolarHBondContact O-N 3.2Å |
| 7 | Y | 46.6 | Very low | 53.9 | Low | 52 Ų | 52 | 88.6 Ų | 88.6 | 20% | 0.204 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | -175.5 | -156.7 | -94.2 | 0 | 0 | 0 | 111.9 | L3 P4 K9 L10 T11 | L3-Y7 HydrophobicContact CB-CD1 4.47Å; L3-Y7 HydrophobicContact CB-CG 4.22Å; L3-Y7 HydrophobicContact CD1-CD1 3.73Å; L3-Y7 HydrophobicContact CD1-CE1 3.87Å; L3-Y7 HydrophobicContact CD1-CG 4.27Å; L3-Y7 HydrophobicContact CD2-CD1 4.22Å; L3-Y7 HydrophobicContact CD2-CD2 3.97Å; L3-Y7 HydrophobicContact CD2-CE1 4.19Å; L3-Y7 HydrophobicContact CD2-CE2 3.96Å; L3-Y7 HydrophobicContact CD2-CG 4.1Å; L3-Y7 HydrophobicContact CG-CD1 4.36Å; L3-Y7 HydrophobicContact CG-CG 4.43Å; P4-Y7 WeakPolarHBondContact O-CB 3.4Å; P4-Y7 PolarHBondContact O-N 3.27Å; Y7-K9 PolarHBondContact O-N 3.15Å; Y7-L10 PolarHBondContact O-N 2.92Å; Y7-T11 HydrophobicContact CD1-CG2 3.74Å; Y7-T11 HydrophobicContact CE1-CG2 3.68Å; Y7-T11 PolarHBondContact O-N 3.19Å; Y7-T11 PolarHBondContact O-OG1 3.29Å |
| 8 | D | 55.4 | Low | 55.2 | Low | 105 Ų | 105 | 83.7 Ų | 83.7 | 56% | 0.561 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.8 | -22.2 | -179.1 | -59.7 | -22.3 | 0 | 0 | 0 | 114.2 | G6 T11 K12 | G6-D8 PolarHBondContact O-N 3.44Å; D8-T11 WeakPolarHBondContact CA-OG1 3.35Å; D8-T11 PolarHBondContact O-OG1 3.33Å; D8-K12 WeakPolarHBondContact O-CD 3.39Å; D8-K12 VanDerWaalsContact O-CG 3.25Å; D8-K12 WeakPolarHBondContact O-CG 3.39Å; D8-K12 PolarHBondContact O-N 3.07Å |
| 9 | K | 59 | Low | 55.9 | Low | 142 Ų | 142 | 83.4 Ų | 83.4 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -79 | -47.8 | 172.3 | -172.1 | 176.3 | 178.2 | -177.6 | 0 | 110.4 | G6 Y7 T11 K12 D13 | G6-K9 PolarHBondContact O-N 2.97Å; Y7-K9 PolarHBondContact O-N 3.15Å; K9-T11 VanDerWaalsContact C-N 3.26Å; K9-T11 PolarHBondContact O-N 3.21Å; K9-K12 PolarHBondContact O-N 3.48Å; K9-D13 WeakPolarHBondContact O-CB 3.44Å; K9-D13 PolarHBondContact O-N 3.34Å |
| 10 | L | 57.8 | Low | 56.5 | Low | 60 Ų | 60 | 85.9 Ų | 85.9 | 31% | 0.314 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.6 | -34.2 | 177.4 | -76.4 | 163.3 | 0 | 0 | 0 | 112.8 | G6 Y7 F14 | G6-L10 PolarHBondContact O-N 3.2Å; Y7-L10 PolarHBondContact O-N 2.92Å; L10-F14 WeakPolarHBondContact O-CB 3.33Å; L10-F14 PolarHBondContact O-N 2.92Å; L10-F14 VanDerWaalsContact O-N 3.11Å |
| 11 | T | 59.9 | Low | 57 | Low | 25 Ų | 25 | 84 Ų | 84 | 15% | 0.153 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -73 | -42.7 | 174.6 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | Y7 D8 K9 F14 D15 | Y7-T11 HydrophobicContact CD1-CG2 3.74Å; Y7-T11 HydrophobicContact CE1-CG2 3.68Å; Y7-T11 PolarHBondContact O-N 3.19Å; Y7-T11 PolarHBondContact O-OG1 3.29Å; D8-T11 WeakPolarHBondContact CA-OG1 3.35Å; D8-T11 PolarHBondContact O-OG1 3.33Å; K9-T11 VanDerWaalsContact C-N 3.26Å; K9-T11 PolarHBondContact O-N 3.21Å; T11-F14 PolarHBondContact O-N 3.2Å; T11-D15 WeakPolarHBondContact O-CB 3.23Å; T11-D15 PolarHBondContact O-N 3.11Å |
| 12 | K | 61.6 | Low | 58.8 | Low | 153 Ų | 153 | 73.1 Ų | 73.1 | 67% | 0.665 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 175.2 | -75.6 | 174.6 | -177.3 | 179.6 | 0 | 112.3 | D8 K9 S16 | D8-K12 WeakPolarHBondContact O-CD 3.39Å; D8-K12 VanDerWaalsContact O-CG 3.25Å; D8-K12 WeakPolarHBondContact O-CG 3.39Å; D8-K12 PolarHBondContact O-N 3.07Å; K9-K12 PolarHBondContact O-N 3.48Å; K12-S16 WeakPolarHBondContact O-CB 3.43Å; K12-S16 PolarHBondContact O-N 3.39Å |
| 13 | D | 66.6 | Low | 60.2 | Low | 80 Ų | 80 | 75.3 Ų | 75.3 | 43% | 0.428 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 177.8 | -66.7 | -21.3 | 0 | 0 | 0 | 110.8 | K9 F17 | K9-D13 WeakPolarHBondContact O-CB 3.44Å; K9-D13 PolarHBondContact O-N 3.34Å; D13-F17 WeakPolarHBondContact O-CB 3.47Å; D13-F17 PolarHBondContact O-N 3.31Å |
| 14 | F | 74.5 | Confident | 61.2 | Low | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.009 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.2 | -49 | 174.7 | 174.5 | -81.1 | 0 | 0 | 0 | 113.1 | L10 T11 F17 W18 L34 P35 R36 F210 Q212 | L10-F14 WeakPolarHBondContact O-CB 3.33Å; L10-F14 PolarHBondContact O-N 2.92Å; L10-F14 VanDerWaalsContact O-N 3.11Å; T11-F14 PolarHBondContact O-N 3.2Å; F14-F17 PolarHBondContact O-N 2.68Å; F14-W18 AromaticContact CD1-CD1 3.86Å; F14-W18 AromaticContact CD2-CD1 3.96Å; F14-W18 AromaticContact CD2-NE1 3.94Å; F14-W18 AromaticContact CE1-CD1 3.48Å; F14-W18 VanDerWaalsContact CE1-CD1 3.48Å; F14-W18 AromaticContact CE2-CD1 3.63Å; F14-W18 AromaticContact CE2-NE1 3.37Å; F14-W18 AromaticContact CZ-CD1 3.36Å; F14-W18 AromaticContact CZ-NE1 3.4Å; F14-W18 PolarHBondContact O-N 3.41Å; F14-L34 HydrophobicContact CE1-CB 4.16Å; F14-L34 HydrophobicContact CE1-CD1 4.3Å; F14-L34 HydrophobicContact CZ-CB 3.93Å; F14-L34 HydrophobicContact CZ-CD1 4.41Å; F14-P35 WeakPolarHBondContact CZ-O 3.32Å; F14-R36 HydrophobicContact CD1-CG 4.09Å; F14-R36 HydrophobicContact CD2-CG 4.26Å; F14-R36 HydrophobicContact CE1-CG 3.61Å; F14-R36 HydrophobicContact CE2-CB 4.46Å; F14-R36 HydrophobicContact CE2-CG 3.75Å; F14-R36 HydrophobicContact CG-CG 4.42Å; F14-R36 HydrophobicContact CZ-CB 4.47Å; F14-R36 HydrophobicContact CZ-CG 3.42Å; F14-R36 VanDerWaalsContact CZ-CG 3.42Å; F14-F210 HydrophobicContact CE2-CB 4.22Å; F14-F210 VanDerWaalsContact CE2-O 3.24Å; F14-F210 WeakPolarHBondContact CE2-O 3.48Å; F14-Q212 HydrophobicContact CD2-CG 4.29Å |
| 15 | D | 71.6 | Confident | 62.1 | Low | 38 Ų | 38 | 72.1 Ų | 72.1 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.6 | -36.3 | -178.1 | -76.6 | -41.9 | 0 | 0 | 0 | 111.1 | T11 W18 L19 Y26 R36 | T11-D15 WeakPolarHBondContact O-CB 3.23Å; T11-D15 PolarHBondContact O-N 3.11Å; D15-W18 PolarHBondContact O-N 3.02Å; D15-L19 WeakPolarHBondContact O-CB 3.29Å; D15-L19 VanDerWaalsContact O-CD1 3.27Å; D15-L19 WeakPolarHBondContact O-CD1 3.48Å; D15-L19 PolarHBondContact O-N 2.97Å; D15-Y26 HydrophobicContact CB-CE1 4.41Å; D15-Y26 PolarHBondContact OD1-OH 3.45Å; D15-R36 IonicContact OD1-CZ 2.73Å; D15-R36 IonicContact OD1-NH2 2.76Å; D15-R36 PolarHBondContact OD1-NH2 3.11Å; D15-R36 IonicContact OD2-CZ 3.79Å; D15-R36 IonicContact OD2-NH1 3.28Å; D15-R36 IonicContact OD2-NH2 3.1Å; D15-R36 PolarHBondContact OD2-NH2 2.93Å |
| 16 | S | 68.9 | Low | 62.9 | Low | 84 Ų | 84 | 66 Ų | 66 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.9 | -46.1 | 171.5 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | K12 W18 L19 K20 | K12-S16 WeakPolarHBondContact O-CB 3.43Å; K12-S16 PolarHBondContact O-N 3.39Å; S16-W18 PolarHBondContact O-N 3.15Å; S16-L19 PolarHBondContact O-N 2.89Å; S16-K20 PolarHBondContact O-N 3.15Å |
| 17 | F | 74.6 | Confident | 63.2 | Low | 48 Ų | 48 | 70.1 Ų | 70.1 | 21% | 0.211 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 176.8 | 178.9 | -94.2 | 0 | 0 | 0 | 111.9 | D13 F14 K20 F21 G211 F215 | D13-F17 WeakPolarHBondContact O-CB 3.47Å; D13-F17 PolarHBondContact O-N 3.31Å; F14-F17 PolarHBondContact O-N 2.68Å; F17-K20 WeakPolarHBondContact O-CB 3.45Å; F17-K20 PolarHBondContact O-N 3.11Å; F17-F21 HydrophobicContact CD1-CE2 4.31Å; F17-F21 HydrophobicContact CE1-CD2 4.39Å; F17-F21 AromaticContact CE1-CE2 3.91Å; F17-F21 HydrophobicContact CE1-CE2 3.91Å; F17-F21 HydrophobicContact CE2-CE2 4.12Å; F17-F21 AromaticContact CZ-CE2 3.81Å; F17-F21 HydrophobicContact CZ-CE2 3.81Å; F17-F21 VanDerWaalsContact O-CD2 3.27Å; F17-F21 WeakPolarHBondContact O-CD2 3.38Å; F17-F21 WeakPolarHBondContact O-CE2 3.42Å; F17-G211 WeakPolarHBondContact CD1-O 3.35Å; F17-F215 HydrophobicContact CE1-CD2 4.16Å; F17-F215 AromaticContact CE1-CE2 3.64Å; F17-F215 HydrophobicContact CE1-CE2 3.64Å; F17-F215 HydrophobicContact CE1-CZ 4.31Å; F17-F215 AromaticContact CZ-CD2 3.76Å; F17-F215 HydrophobicContact CZ-CD2 3.76Å; F17-F215 AromaticContact CZ-CE2 3.74Å; F17-F215 HydrophobicContact CZ-CE2 3.74Å |
| 18 | W | 77 | Confident | 63.6 | Low | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -79 | -25.8 | -179.1 | -72.9 | 120.6 | 0 | 0 | 0 | 114.5 | F14 D15 S16 K20 F21 Y22 Y26 L34 Y91 Y92 F210 F215 F219 | F14-W18 AromaticContact CD1-CD1 3.86Å; F14-W18 AromaticContact CD2-CD1 3.96Å; F14-W18 AromaticContact CD2-NE1 3.94Å; F14-W18 AromaticContact CE1-CD1 3.48Å; F14-W18 VanDerWaalsContact CE1-CD1 3.48Å; F14-W18 AromaticContact CE2-CD1 3.63Å; F14-W18 AromaticContact CE2-NE1 3.37Å; F14-W18 AromaticContact CZ-CD1 3.36Å; F14-W18 AromaticContact CZ-NE1 3.4Å; F14-W18 PolarHBondContact O-N 3.41Å; D15-W18 PolarHBondContact O-N 3.02Å; S16-W18 PolarHBondContact O-N 3.15Å; W18-K20 PolarHBondContact O-N 3.24Å; W18-F21 HydrophobicContact CE3-CB 4.39Å; W18-F21 AromaticContact CE3-CD2 3.82Å; W18-F21 HydrophobicContact CE3-CD2 3.82Å; W18-F21 HydrophobicContact CZ3-CD2 4.15Å; W18-F21 PolarHBondContact O-N 3.03Å; W18-Y22 HydrophobicContact CB-CD2 4.19Å; W18-Y22 HydrophobicContact CD2-CD2 4.29Å; W18-Y22 AromaticContact CD2-CE2 3.73Å; W18-Y22 HydrophobicContact CD2-CE2 3.73Å; W18-Y22 AromaticContact CE3-CD2 3.82Å; W18-Y22 HydrophobicContact CE3-CD2 3.82Å; W18-Y22 AromaticContact CE3-CE2 3.1Å; W18-Y22 HydrophobicContact CE3-CE2 3.1Å; W18-Y22 AromaticContact CE3-CZ 3.66Å; W18-Y22 HydrophobicContact CG-CE2 4.35Å; W18-Y22 HydrophobicContact CH2-CE2 4.35Å; W18-Y22 AromaticContact CZ3-CE2 3.49Å; W18-Y22 HydrophobicContact CZ3-CE2 3.49Å; W18-Y22 VanDerWaalsContact CZ3-CE2 3.49Å; W18-Y22 AromaticContact CZ3-CZ 3.56Å; W18-Y22 WeakPolarHBondContact CZ3-OH 3.48Å; W18-Y22 PolarHBondContact O-N 3.31Å; W18-Y26 HydrophobicContact CB-CE2 4.1Å; W18-L34 HydrophobicContact CB-CD1 3.59Å; W18-L34 HydrophobicContact CD2-CD1 4.06Å; W18-L34 HydrophobicContact CG-CD1 3.49Å; W18-L34 VanDerWaalsContact CG-CD1 3.49Å; W18-Y91 HydrophobicContact CH2-CD2 4.4Å; W18-Y91 HydrophobicContact CH2-CE2 4.24Å; W18-Y91 AromaticContact CZ2-CE2 3.94Å; W18-Y91 HydrophobicContact CZ2-CE2 3.94Å; W18-Y92 WeakPolarHBondContact CH2-O 3.36Å; W18-F210 VanDerWaalsContact CZ2-O 3.29Å; W18-F210 WeakPolarHBondContact CZ2-O 3.35Å; W18-F210 PolarHBondContact NE1-O 3.11Å; W18-F215 AromaticContact CH2-CE2 3.72Å; W18-F215 HydrophobicContact CH2-CE2 3.72Å; W18-F215 AromaticContact CH2-CZ 3.91Å; W18-F215 HydrophobicContact CH2-CZ 3.91Å; W18-F215 HydrophobicContact CZ2-CE2 4.03Å; W18-F215 AromaticContact CZ2-CZ 3.82Å; W18-F215 HydrophobicContact CZ2-CZ 3.82Å; W18-F215 HydrophobicContact CZ3-CE2 4.49Å; W18-F219 HydrophobicContact CH2-CE1 4.35Å; W18-F219 HydrophobicContact CZ3-CD1 4.48Å; W18-F219 AromaticContact CZ3-CE1 3.92Å; W18-F219 HydrophobicContact CZ3-CE1 3.92Å |
| 19 | L | 68.6 | Low | 63.3 | Low | 78 Ų | 78 | 70.6 Ų | 70.6 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.3 | -32.1 | 170.4 | -113.2 | 79.7 | 0 | 0 | 0 | 111.9 | D15 S16 F21 K23 Y26 | D15-L19 WeakPolarHBondContact O-CB 3.29Å; D15-L19 VanDerWaalsContact O-CD1 3.27Å; D15-L19 WeakPolarHBondContact O-CD1 3.48Å; D15-L19 PolarHBondContact O-N 2.97Å; S16-L19 PolarHBondContact O-N 2.89Å; L19-F21 PolarHBondContact O-N 2.87Å; L19-K23 WeakPolarHBondContact O-CB 3.5Å; L19-K23 PolarHBondContact O-N 3.15Å; L19-Y26 HydrophobicContact CD1-CD1 3.49Å; L19-Y26 VanDerWaalsContact CD1-CD1 3.49Å; L19-Y26 HydrophobicContact CD1-CD2 3.8Å; L19-Y26 HydrophobicContact CD1-CE1 3.65Å; L19-Y26 HydrophobicContact CD1-CE2 3.96Å; L19-Y26 HydrophobicContact CD1-CG 3.56Å; L19-Y26 HydrophobicContact CG-CD2 4.47Å; L19-Y26 HydrophobicContact CG-CG 4.38Å |
| 20 | K | 68.4 | Low | 63.3 | Low | 134 Ų | 134 | 69.7 Ų | 69.7 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.7 | -30.2 | 176 | -164.5 | -176.5 | -176.1 | -174 | 0 | 112.8 | S16 F17 W18 E220 | S16-K20 PolarHBondContact O-N 3.15Å; F17-K20 WeakPolarHBondContact O-CB 3.45Å; F17-K20 PolarHBondContact O-N 3.11Å; W18-K20 PolarHBondContact O-N 3.24Å; K20-E220 WeakPolarHBondContact CE-OE2 3.34Å; K20-E220 VanDerWaalsContact NZ-CD 3.35Å; K20-E220 IonicContact NZ-OE1 3.43Å; K20-E220 PolarHBondContact NZ-OE1 2.72Å; K20-E220 IonicContact NZ-OE2 3.58Å; K20-E220 PolarHBondContact NZ-OE2 3.07Å |
| 21 | F | 67.2 | Low | 63.7 | Low | 47 Ų | 47 | 70.3 Ų | 70.3 | 21% | 0.206 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -106.4 | -41.3 | -173.4 | -57.2 | -63.8 | 0 | 0 | 0 | 113 | F17 W18 L19 E220 L223 | F17-F21 HydrophobicContact CD1-CE2 4.31Å; F17-F21 HydrophobicContact CE1-CD2 4.39Å; F17-F21 AromaticContact CE1-CE2 3.91Å; F17-F21 HydrophobicContact CE1-CE2 3.91Å; F17-F21 HydrophobicContact CE2-CE2 4.12Å; F17-F21 AromaticContact CZ-CE2 3.81Å; F17-F21 HydrophobicContact CZ-CE2 3.81Å; F17-F21 VanDerWaalsContact O-CD2 3.27Å; F17-F21 WeakPolarHBondContact O-CD2 3.38Å; F17-F21 WeakPolarHBondContact O-CE2 3.42Å; W18-F21 HydrophobicContact CE3-CB 4.39Å; W18-F21 AromaticContact CE3-CD2 3.82Å; W18-F21 HydrophobicContact CE3-CD2 3.82Å; W18-F21 HydrophobicContact CZ3-CD2 4.15Å; W18-F21 PolarHBondContact O-N 3.03Å; L19-F21 PolarHBondContact O-N 2.87Å; F21-E220 HydrophobicContact CE1-CB 3.7Å; F21-E220 HydrophobicContact CE1-CG 3.9Å; F21-E220 HydrophobicContact CZ-CB 4.06Å; F21-L223 HydrophobicContact CB-CD1 4.22Å; F21-L223 HydrophobicContact CD1-CD1 3.51Å; F21-L223 HydrophobicContact CE1-CD1 4.19Å; F21-L223 HydrophobicContact CG-CD1 4.07Å |
| 22 | Y | 71.3 | Confident | 64.3 | Low | 10 Ų | 10 | 73.2 Ų | 73.2 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -113.1 | 35 | -173.5 | -46.8 | -50.7 | 0 | 0 | 0 | 112.8 | W18 S24 S25 Y26 L34 T88 I90 | W18-Y22 HydrophobicContact CB-CD2 4.19Å; W18-Y22 HydrophobicContact CD2-CD2 4.29Å; W18-Y22 AromaticContact CD2-CE2 3.73Å; W18-Y22 HydrophobicContact CD2-CE2 3.73Å; W18-Y22 AromaticContact CE3-CD2 3.82Å; W18-Y22 HydrophobicContact CE3-CD2 3.82Å; W18-Y22 AromaticContact CE3-CE2 3.1Å; W18-Y22 HydrophobicContact CE3-CE2 3.1Å; W18-Y22 AromaticContact CE3-CZ 3.66Å; W18-Y22 HydrophobicContact CG-CE2 4.35Å; W18-Y22 HydrophobicContact CH2-CE2 4.35Å; W18-Y22 AromaticContact CZ3-CE2 3.49Å; W18-Y22 HydrophobicContact CZ3-CE2 3.49Å; W18-Y22 VanDerWaalsContact CZ3-CE2 3.49Å; W18-Y22 AromaticContact CZ3-CZ 3.56Å; W18-Y22 WeakPolarHBondContact CZ3-OH 3.48Å; W18-Y22 PolarHBondContact O-N 3.31Å; Y22-S24 PolarHBondContact O-N 2.81Å; Y22-S25 PolarHBondContact O-N 3.15Å; Y22-Y26 PolarHBondContact O-N 3.19Å; Y22-L34 HydrophobicContact CD2-CD1 3.88Å; Y22-L34 HydrophobicContact CD2-CD2 4.23Å; Y22-L34 HydrophobicContact CE2-CD1 4.02Å; Y22-L34 HydrophobicContact CE2-CD2 4.09Å; Y22-T88 HydrophobicContact CD1-CG2 4.27Å; Y22-T88 HydrophobicContact CD2-CG2 4.15Å; Y22-T88 HydrophobicContact CE1-CG2 4.01Å; Y22-T88 WeakPolarHBondContact CE1-O 3.43Å; Y22-T88 HydrophobicContact CE2-CG2 3.86Å; Y22-T88 HydrophobicContact CG-CG2 4.36Å; Y22-I90 PolarHBondContact OH-O 2.99Å; Y22-I90 VanDerWaalsContact OH-O 3.07Å |
| 23 | K | 61.3 | Low | 65.4 | Low | 148 Ų | 148 | 71.4 Ų | 71.4 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -32.8 | -178.1 | -164 | 176.2 | -179.4 | -178.7 | 0 | 113.7 | L19 L27 | L19-K23 WeakPolarHBondContact O-CB 3.5Å; L19-K23 PolarHBondContact O-N 3.15Å; K23-L27 WeakPolarHBondContact O-CD1 3.47Å; K23-L27 WeakPolarHBondContact O-CG 3.37Å |
| 24 | S | 54.5 | Low | 66.5 | Low | 80 Ų | 80 | 67.8 Ų | 67.8 | 56% | 0.559 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -32.9 | 176.1 | -163 | 0 | 0 | 0 | 0 | 113.2 | Y22 L27 S28 | Y22-S24 PolarHBondContact O-N 2.81Å; S24-L27 PolarHBondContact O-N 2.82Å; S24-S28 PolarHBondContact O-N 3.45Å |
| 25 | S | 57.2 | Low | 67.4 | Low | 14 Ų | 14 | 67.7 Ų | 67.7 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -75.6 | -39.7 | -176.5 | -36.8 | 0 | 0 | 0 | 0 | 110.9 | Y22 L27 S28 F31 T87 | Y22-S25 PolarHBondContact O-N 3.15Å; S25-L27 PolarHBondContact O-N 3.24Å; S25-S28 VanDerWaalsContact O-CB 3.31Å; S25-S28 WeakPolarHBondContact O-CB 3.34Å; S25-S28 PolarHBondContact O-N 2.89Å; S25-S28 VanDerWaalsContact O-N 3.16Å; S25-F31 VanDerWaalsContact O-CD2 3.31Å; S25-F31 WeakPolarHBondContact O-CD2 3.39Å; S25-T87 PolarHBondContact OG-O 2.93Å |
| 26 | Y | 55 | Low | 68.5 | Low | 47 Ų | 47 | 67.6 Ų | 67.6 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -66.9 | -9 | 172.5 | -82.7 | -93.5 | 0 | 0 | 0 | 114.3 | D15 W18 L19 Y22 F31 L34 | D15-Y26 HydrophobicContact CB-CE1 4.41Å; D15-Y26 PolarHBondContact OD1-OH 3.45Å; W18-Y26 HydrophobicContact CB-CE2 4.1Å; L19-Y26 HydrophobicContact CD1-CD1 3.49Å; L19-Y26 VanDerWaalsContact CD1-CD1 3.49Å; L19-Y26 HydrophobicContact CD1-CD2 3.8Å; L19-Y26 HydrophobicContact CD1-CE1 3.65Å; L19-Y26 HydrophobicContact CD1-CE2 3.96Å; L19-Y26 HydrophobicContact CD1-CG 3.56Å; L19-Y26 HydrophobicContact CG-CD2 4.47Å; L19-Y26 HydrophobicContact CG-CG 4.38Å; Y22-Y26 PolarHBondContact O-N 3.19Å; Y26-F31 HydrophobicContact CD1-CD2 4.48Å; Y26-F31 HydrophobicContact CD1-CE1 4.1Å; Y26-F31 AromaticContact CD1-CE2 3.77Å; Y26-F31 HydrophobicContact CD1-CE2 3.77Å; Y26-F31 AromaticContact CD1-CZ 3.55Å; Y26-F31 HydrophobicContact CD1-CZ 3.55Å; Y26-F31 AromaticContact CD2-CE2 3.92Å; Y26-F31 HydrophobicContact CD2-CE2 3.92Å; Y26-F31 HydrophobicContact CD2-CZ 4.32Å; Y26-F31 HydrophobicContact CE1-CE1 4.03Å; Y26-F31 AromaticContact CE1-CE2 3.96Å; Y26-F31 HydrophobicContact CE1-CE2 3.96Å; Y26-F31 AromaticContact CE1-CZ 3.37Å; Y26-F31 HydrophobicContact CE1-CZ 3.37Å; Y26-F31 HydrophobicContact CE2-CE2 4.07Å; Y26-F31 HydrophobicContact CE2-CZ 4.15Å; Y26-F31 HydrophobicContact CG-CD2 4.38Å; Y26-F31 AromaticContact CG-CE2 3.77Å; Y26-F31 HydrophobicContact CG-CE2 3.77Å; Y26-F31 HydrophobicContact CG-CZ 4.05Å; Y26-F31 AromaticContact CZ-CZ 3.7Å; Y26-L34 HydrophobicContact CE2-CD1 4.21Å |
| 27 | L | 51.1 | Low | 69.8 | Low | 126 Ų | 126 | 64.5 Ų | 64.5 | 66% | 0.66 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -108.5 | 7 | 175.3 | -66.2 | 173.9 | 0 | 0 | 0 | 112.7 | K23 S24 S25 | K23-L27 WeakPolarHBondContact O-CD1 3.47Å; K23-L27 WeakPolarHBondContact O-CG 3.37Å; S24-L27 PolarHBondContact O-N 2.82Å; S25-L27 PolarHBondContact O-N 3.24Å |
| 28 | S | 54.7 | Low | 70.9 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -85.8 | 139.7 | 173.9 | -164.4 | 0 | 0 | 0 | 0 | 109.5 | S24 S25 D30 F31 | S24-S28 PolarHBondContact O-N 3.45Å; S25-S28 VanDerWaalsContact O-CB 3.31Å; S25-S28 WeakPolarHBondContact O-CB 3.34Å; S25-S28 PolarHBondContact O-N 2.89Å; S25-S28 VanDerWaalsContact O-N 3.16Å; S28-D30 PolarHBondContact O-N 3.38Å; S28-F31 WeakPolarHBondContact O-CB 3.49Å; S28-F31 PolarHBondContact O-N 3.37Å |
| 29 | P | 48.9 | Very low | 71.8 | Confident | 126 Ų | 126 | 64.1 Ų | 64.1 | 82% | 0.818 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -41.9 | 169.6 | 23.5 | -31.9 | 0 | 0 | 0 | 110.7 | F31 | P29-F31 PolarHBondContact O-N 2.85Š|
| 30 | D | 58.1 | Low | 73 | Confident | 122 Ų | 122 | 64.8 Ų | 64.8 | 65% | 0.652 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 33 | 175.6 | -49.2 | -26.2 | 0 | 0 | 0 | 115.1 | S28 Q32 | S28-D30 PolarHBondContact O-N 3.38Å; D30-Q32 PolarHBondContact O-N 3.02Å |
| 31 | F | 65.8 | Low | 74.3 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | trans | -67 | 99 | -174 | 177.3 | -111.9 | 0 | 0 | 0 | 112.8 | S25 Y26 S28 P29 | S25-F31 VanDerWaalsContact O-CD2 3.31Å; S25-F31 WeakPolarHBondContact O-CD2 3.39Å; Y26-F31 HydrophobicContact CD1-CD2 4.48Å; Y26-F31 HydrophobicContact CD1-CE1 4.1Å; Y26-F31 AromaticContact CD1-CE2 3.77Å; Y26-F31 HydrophobicContact CD1-CE2 3.77Å; Y26-F31 AromaticContact CD1-CZ 3.55Å; Y26-F31 HydrophobicContact CD1-CZ 3.55Å; Y26-F31 AromaticContact CD2-CE2 3.92Å; Y26-F31 HydrophobicContact CD2-CE2 3.92Å; Y26-F31 HydrophobicContact CD2-CZ 4.32Å; Y26-F31 HydrophobicContact CE1-CE1 4.03Å; Y26-F31 AromaticContact CE1-CE2 3.96Å; Y26-F31 HydrophobicContact CE1-CE2 3.96Å; Y26-F31 AromaticContact CE1-CZ 3.37Å; Y26-F31 HydrophobicContact CE1-CZ 3.37Å; Y26-F31 HydrophobicContact CE2-CE2 4.07Å; Y26-F31 HydrophobicContact CE2-CZ 4.15Å; Y26-F31 HydrophobicContact CG-CD2 4.38Å; Y26-F31 AromaticContact CG-CE2 3.77Å; Y26-F31 HydrophobicContact CG-CE2 3.77Å; Y26-F31 HydrophobicContact CG-CZ 4.05Å; Y26-F31 AromaticContact CZ-CZ 3.7Å; S28-F31 WeakPolarHBondContact O-CB 3.49Å; S28-F31 PolarHBondContact O-N 3.37Å; P29-F31 PolarHBondContact O-N 2.85Å | ||
| 32 | Q | 73.9 | Confident | 75.6 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 119.8 | 171.4 | -66 | 177.6 | 35.1 | 0 | 0 | 110.4 | D30 L34 P85 | D30-Q32 PolarHBondContact O-N 3.02Å; Q32-L34 PolarHBondContact O-N 3.41Å; Q32-P85 HydrophobicContact CB-CB 4.04Å; Q32-P85 HydrophobicContact CB-CG 3.87Å; Q32-P85 WeakPolarHBondContact O-CG 3.5Å |
| 33 | R | 83.7 | Confident | 76.8 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 43% | 0.434 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 133.2 | 176.7 | 164.1 | 174 | 164.1 | 164.9 | -5 | 112.3 | D81 A82 | R33-D81 IonicContact CZ-OD2 3.45Å; R33-D81 IonicContact NE-OD2 3.75Å; R33-D81 PolarHBondContact NE-OD2 3.14Å; R33-D81 IonicContact NH2-OD2 2.69Å; R33-D81 PolarHBondContact NH2-OD2 2.91Å; R33-A82 WeakPolarHBondContact O-CB 3.47Å |
| 34 | L | 90.3 | Very high | 78.3 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 152.1 | 173.1 | -63 | 171.8 | 0 | 0 | 0 | 112.6 | F14 W18 Y22 Y26 Q32 R36 P85 T88 Y91 | F14-L34 HydrophobicContact CE1-CB 4.16Å; F14-L34 HydrophobicContact CE1-CD1 4.3Å; F14-L34 HydrophobicContact CZ-CB 3.93Å; F14-L34 HydrophobicContact CZ-CD1 4.41Å; W18-L34 HydrophobicContact CB-CD1 3.59Å; W18-L34 HydrophobicContact CD2-CD1 4.06Å; W18-L34 HydrophobicContact CG-CD1 3.49Å; W18-L34 VanDerWaalsContact CG-CD1 3.49Å; Y22-L34 HydrophobicContact CD2-CD1 3.88Å; Y22-L34 HydrophobicContact CD2-CD2 4.23Å; Y22-L34 HydrophobicContact CE2-CD1 4.02Å; Y22-L34 HydrophobicContact CE2-CD2 4.09Å; Y26-L34 HydrophobicContact CE2-CD1 4.21Å; Q32-L34 PolarHBondContact O-N 3.41Å; L34-R36 PolarHBondContact O-N 2.68Å; L34-P85 HydrophobicContact CD2-CG 4.05Å; L34-T88 HydrophobicContact CD2-CG2 3.57Å; L34-Y91 HydrophobicContact CD2-CD2 4.43Å; L34-Y91 HydrophobicContact CD2-CE2 4.37Å |
| 35 | P | 94 | Very high | 80.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 130.1 | 168.2 | -20.4 | 30.9 | 0 | 0 | 0 | 111.6 | F14 D81 I84 Y91 P195 F210 | F14-P35 WeakPolarHBondContact CZ-O 3.32Å; P35-D81 WeakPolarHBondContact CA-OD1 3.37Å; P35-I84 HydrophobicContact CG-CG1 4.26Å; P35-Y91 HydrophobicContact CG-CE1 4.39Å; P35-P195 HydrophobicContact CB-CG 4.17Å; P35-P195 HydrophobicContact CG-CG 4.05Å; P35-F210 HydrophobicContact CB-CD1 4.24Å; P35-F210 HydrophobicContact CB-CE1 4.41Å |
| 36 | R | 93.3 | Very high | 81.8 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 13% | 0.132 | 35% | 0.352 | C | S | . | . | trans | -119.2 | -32.8 | 179.5 | -73.9 | -179.4 | -175.6 | -173.3 | 2.9 | 113.3 | F14 D15 L34 L54 D81 F210 Q212 | F14-R36 HydrophobicContact CD1-CG 4.09Å; F14-R36 HydrophobicContact CD2-CG 4.26Å; F14-R36 HydrophobicContact CE1-CG 3.61Å; F14-R36 HydrophobicContact CE2-CB 4.46Å; F14-R36 HydrophobicContact CE2-CG 3.75Å; F14-R36 HydrophobicContact CG-CG 4.42Å; F14-R36 HydrophobicContact CZ-CB 4.47Å; F14-R36 HydrophobicContact CZ-CG 3.42Å; F14-R36 VanDerWaalsContact CZ-CG 3.42Å; D15-R36 IonicContact OD1-CZ 2.73Å; D15-R36 IonicContact OD1-NH2 2.76Å; D15-R36 PolarHBondContact OD1-NH2 3.11Å; D15-R36 IonicContact OD2-CZ 3.79Å; D15-R36 IonicContact OD2-NH1 3.28Å; D15-R36 IonicContact OD2-NH2 3.1Å; D15-R36 PolarHBondContact OD2-NH2 2.93Å; L34-R36 PolarHBondContact O-N 2.68Å; R36-L54 WeakPolarHBondContact O-CD2 3.42Å; R36-D81 PolarHBondContact N-OD1 3.16Å; R36-F210 VanDerWaalsContact O-CD2 3.25Å; R36-F210 WeakPolarHBondContact O-CD2 3.33Å; R36-Q212 PolarHBondContact O-NE2 3.44Å | ||
| 37 | C | 96.2 | Very high | 83.7 | Confident | 20 Ų | 20 | 70.5 Ų | 70.5 | 14% | 0.135 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -154.8 | 174 | -178.5 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | A53 L54 S80 D81 | C37-A53 HydrophobicContact CB-CB 4.16Å; C37-L54 HydrophobicContact CB-CD2 4.06Å; C37-S80 CarbonylContact O-C 3.52Å; C37-S80 VanDerWaalsContact O-CA 3.29Å; C37-S80 WeakPolarHBondContact O-CA 3.3Å; C37-D81 PolarHBondContact N-OD1 3.32Å; C37-D81 PolarHBondContact O-N 3.42Å; C37-D81 VanDerWaalsContact O-OD1 3.14Å |
| 38 | W | 98 | Very high | 85.7 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 137 | 172.6 | -63.7 | 116.2 | 0 | 0 | 0 | 111.2 | V40 L49 A53 V56 V78 F93 P195 I197 T208 F210 | W38-V40 PolarHBondContact O-N 3.48Å; W38-L49 HydrophobicContact CB-CD1 4.37Å; W38-L49 HydrophobicContact CB-CD2 3.91Å; W38-L49 HydrophobicContact CG-CD2 4.5Å; W38-A53 HydrophobicContact CB-CB 4.48Å; W38-A53 VanDerWaalsContact CB-O 3.26Å; W38-A53 WeakPolarHBondContact CB-O 3.42Å; W38-A53 PolarHBondContact N-O 3.38Å; W38-A53 VanDerWaalsContact O-CB 3.27Å; W38-A53 WeakPolarHBondContact O-CB 3.4Å; W38-V56 HydrophobicContact CD2-CG2 4.44Å; W38-V56 HydrophobicContact CG-CG2 3.86Å; W38-V78 HydrophobicContact CB-CG2 3.8Å; W38-V78 HydrophobicContact CD2-CG1 4.07Å; W38-V78 HydrophobicContact CD2-CG2 4.41Å; W38-V78 HydrophobicContact CE3-CG1 3.96Å; W38-V78 HydrophobicContact CE3-CG2 4.06Å; W38-V78 HydrophobicContact CG-CG1 4.34Å; W38-V78 HydrophobicContact CG-CG2 4.35Å; W38-F93 HydrophobicContact CH2-CE2 4.34Å; W38-P195 HydrophobicContact CH2-CB 4.26Å; W38-P195 HydrophobicContact CZ3-CB 4.29Å; W38-P195 WeakPolarHBondContact CZ3-O 3.47Å; W38-I197 HydrophobicContact CD2-CD1 4.4Å; W38-I197 HydrophobicContact CD2-CG1 4.42Å; W38-I197 HydrophobicContact CE3-CG1 4.43Å; W38-I197 HydrophobicContact CH2-CB 4.24Å; W38-I197 HydrophobicContact CH2-CD1 4.26Å; W38-I197 HydrophobicContact CH2-CG1 3.72Å; W38-I197 HydrophobicContact CH2-CG2 3.82Å; W38-I197 HydrophobicContact CZ2-CB 4.36Å; W38-I197 HydrophobicContact CZ2-CD1 3.66Å; W38-I197 HydrophobicContact CZ2-CG1 3.65Å; W38-I197 HydrophobicContact CZ2-CG2 3.88Å; W38-I197 HydrophobicContact CZ3-CG1 4.09Å; W38-T208 HydrophobicContact CZ2-CG2 3.76Å; W38-T208 WeakPolarHBondContact CZ2-OG1 3.27Å; W38-T208 PolarHBondContact NE1-OG1 3.43Å; W38-F210 HydrophobicContact CD2-CE2 4.36Å; W38-F210 HydrophobicContact CD2-CZ 4.02Å; W38-F210 AromaticContact CE2-CZ 3.79Å; W38-F210 HydrophobicContact CE3-CZ 4.18Å; W38-F210 HydrophobicContact CH2-CE1 4.45Å; W38-F210 AromaticContact CH2-CZ 3.88Å; W38-F210 HydrophobicContact CH2-CZ 3.88Å; W38-F210 HydrophobicContact CZ2-CE2 4.4Å; W38-F210 AromaticContact CZ2-CZ 3.73Å; W38-F210 HydrophobicContact CZ2-CZ 3.73Å; W38-F210 HydrophobicContact CZ3-CZ 4.12Å |
| 39 | N | 96.4 | Very high | 87.7 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.8 | -175.8 | -166 | -42.2 | 0 | 0 | 0 | 110.7 | K41 D42 R43 R79 | N39-K41 PolarHBondContact O-N 3.21Å; N39-K41 PolarHBondContact OD1-N 3.2Å; N39-D42 HydrophobicContact CB-CB 3.81Å; N39-D42 PolarHBondContact OD1-N 3.39Å; N39-R43 WeakPolarHBondContact O-CD 3.48Å; N39-R79 VanDerWaalsContact CB-O 3.22Å; N39-R79 WeakPolarHBondContact CB-O 3.24Å; N39-R79 PolarHBondContact N-O 3.49Å |
| 40 | V | 94.7 | Very high | 89.9 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 56% | 0.558 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -21.8 | -178 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | W38 R43 L49 A53 | W38-V40 PolarHBondContact O-N 3.48Å; V40-R43 WeakPolarHBondContact O-CD 3.44Å; V40-R43 PolarHBondContact O-NE 2.64Å; V40-L49 HydrophobicContact CB-CD1 4.43Å; V40-L49 HydrophobicContact CG2-CD1 4.06Å; V40-A53 HydrophobicContact CG2-CB 4.22Å |
| 41 | K | 94.4 | Very high | 91.4 | Very high | 195 Ų | 195 | 69 Ų | 69 | 85% | 0.848 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -44.3 | 175.5 | -63.1 | -175.5 | 178.3 | -176.2 | 0 | 112.3 | N39 R43 | N39-K41 PolarHBondContact O-N 3.21Å; N39-K41 PolarHBondContact OD1-N 3.2Å; K41-R43 VanDerWaalsContact C-N 3.3Å; K41-R43 PolarHBondContact O-N 2.87Å |
| 42 | D | 95.7 | Very high | 92.6 | Very high | 27 Ų | 27 | 70.3 Ų | 70.3 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 64.1 | -173.3 | -163.7 | 13.4 | 0 | 0 | 0 | 112.6 | N39 R79 | N39-D42 HydrophobicContact CB-CB 3.81Å; N39-D42 PolarHBondContact OD1-N 3.39Å; D42-R79 VanDerWaalsContact CG-NE 3.34Å; D42-R79 PolarHBondContact O-N 3.41Å; D42-R79 VanDerWaalsContact O-N 3.16Å; D42-R79 IonicContact OD1-CZ 2.64Å; D42-R79 IonicContact OD1-NE 3.72Å; D42-R79 PolarHBondContact OD1-NE 3.14Å; D42-R79 IonicContact OD1-NH2 3.13Å; D42-R79 PolarHBondContact OD1-NH2 3.04Å; D42-R79 IonicContact OD2-CZ 3.7Å; D42-R79 IonicContact OD2-NE 2.75Å; D42-R79 PolarHBondContact OD2-NE 2.91Å; D42-R79 IonicContact OD2-NH2 3.4Å |
| 43 | R | 95.1 | Very high | 93.6 | Very high | 69 Ų | 69 | 66.4 Ų | 66.4 | 26% | 0.26 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 150.6 | -176.3 | 67 | -169.2 | -179.2 | 101.1 | 8.2 | 112.7 | N39 V40 K41 L47 C77 V78 | N39-R43 WeakPolarHBondContact O-CD 3.48Å; V40-R43 WeakPolarHBondContact O-CD 3.44Å; V40-R43 PolarHBondContact O-NE 2.64Å; K41-R43 VanDerWaalsContact C-N 3.3Å; K41-R43 PolarHBondContact O-N 2.87Å; R43-L47 PolarHBondContact NH1-O 3.23Å; R43-C77 CarbonylContact C-O 3.6Å; R43-C77 WeakPolarHBondContact CA-O 3.42Å; R43-V78 HydrophobicContact CB-CB 3.69Å; R43-V78 HydrophobicContact CB-CG2 3.61Å |
| 44 | S | 94.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | trans | -65.3 | 144.3 | 172.5 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | S46 L47 C77 L117 N118 | S44-S46 PolarHBondContact O-N 2.82Å; S44-L47 PolarHBondContact O-N 3.14Å; S44-L47 VanDerWaalsContact O-N 3.15Å; S44-C77 PolarHBondContact N-O 3.28Å; S44-L117 WeakPolarHBondContact CB-O 3.49Å; S44-N118 PolarHBondContact OG-OD1 3.32Å | ||
| 45 | R | 92.4 | Very high | 94.6 | Very high | 252 Ų | 252 | 63.7 Ų | 63.7 | 95% | 0.951 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.3 | -176.6 | -64.6 | -177.4 | -179.4 | -177.2 | 0.2 | 112.9 | L47 | R45-L47 PolarHBondContact O-N 2.72Š|
| 46 | S | 91.6 | Very high | 94.7 | Very high | 45 Ų | 45 | 63.7 Ų | 63.7 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 1.3 | 177.4 | -49.4 | 0 | 0 | 0 | 0 | 114.3 | S44 S59 | S44-S46 PolarHBondContact O-N 2.82Å; S46-S59 CarbonylContact O-C 3.57Å; S46-S59 PolarHBondContact O-N 3.39Å; S46-S59 VanDerWaalsContact O-O 3.14Å |
| 47 | L | 94.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 144.7 | 176.9 | -60 | -176.9 | 0 | 0 | 0 | 111.9 | R43 S44 R45 V56 F58 A76 C77 V78 L199 | R43-L47 PolarHBondContact NH1-O 3.23Å; S44-L47 PolarHBondContact O-N 3.14Å; S44-L47 VanDerWaalsContact O-N 3.15Å; R45-L47 PolarHBondContact O-N 2.72Å; L47-V56 HydrophobicContact CB-CG1 4.23Å; L47-V56 HydrophobicContact CD1-CG1 3.94Å; L47-V56 HydrophobicContact CD2-CG1 4.21Å; L47-V56 HydrophobicContact CG-CG1 4.36Å; L47-F58 HydrophobicContact CD2-CD2 4.27Å; L47-A76 HydrophobicContact CD2-CB 3.68Å; L47-A76 HydrophobicContact CG-CB 3.89Å; L47-C77 WeakPolarHBondContact CD1-O 3.49Å; L47-V78 HydrophobicContact CD1-CB 3.85Å; L47-V78 HydrophobicContact CD1-CG1 3.87Å; L47-L199 HydrophobicContact CD2-CB 4.1Å; L47-L199 HydrophobicContact CD2-CD1 3.66Å |
| 48 | R | 94.6 | Very high | 94.7 | Very high | 156 Ų | 156 | 63 Ų | 63 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.3 | 163 | -69.1 | -177 | -177 | -156.1 | -0.6 | 109.7 | V56 S57 S59 | R48-V56 WeakPolarHBondContact O-CA 3.23Å; R48-S57 PolarHBondContact N-O 2.93Å; R48-S57 PolarHBondContact O-N 2.94Å; R48-S59 VanDerWaalsContact CD-OG 3.3Å; R48-S59 WeakPolarHBondContact CD-OG 3.4Å; R48-S59 WeakPolarHBondContact CG-OG 3.09Å |
| 49 | L | 95.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 64.7 Ų | 64.7 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 150.4 | 175.4 | -64.7 | 178.3 | 0 | 0 | 0 | 110.2 | W38 V40 A53 T55 V56 | W38-L49 HydrophobicContact CB-CD1 4.37Å; W38-L49 HydrophobicContact CB-CD2 3.91Å; W38-L49 HydrophobicContact CG-CD2 4.5Å; V40-L49 HydrophobicContact CB-CD1 4.43Å; V40-L49 HydrophobicContact CG2-CD1 4.06Å; L49-A53 HydrophobicContact CD1-CB 4.07Å; L49-T55 CarbonylContact C-O 3.53Å; L49-T55 WeakPolarHBondContact CA-O 3.21Å; L49-V56 HydrophobicContact CD2-CB 4.12Å; L49-V56 HydrophobicContact CD2-CG1 3.91Å; L49-V56 HydrophobicContact CD2-CG2 3.54Å |
| 50 | S | 94.8 | Very high | 92.8 | Very high | 45 Ų | 45 | 65.6 Ų | 65.6 | 32% | 0.315 | 32% | 0.317 | S | S | . | . | trans | -71.5 | 167.7 | 165.2 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | F52 A53 T55 | S50-F52 VanDerWaalsContact C-N 3.27Å; S50-F52 PolarHBondContact O-N 3.12Å; S50-A53 WeakPolarHBondContact O-CA 3.46Å; S50-A53 PolarHBondContact O-N 2.62Å; S50-T55 PolarHBondContact N-O 3.32Å; S50-T55 VanDerWaalsContact OG-CB 3.26Å; S50-T55 WeakPolarHBondContact OG-CB 3.28Å; S50-T55 PolarHBondContact OG-N 3.29Å; S50-T55 PolarHBondContact OG-OG1 3.15Å | ||
| 51 | H | 90.2 | Very high | 91 | Very high | 147 Ų | 147 | 63.9 Ų | 63.9 | 68% | 0.681 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -39.4 | -176.8 | -178.8 | 74.3 | 0 | 0 | 0 | 113.9 | P4 A53 | P4-H51 WeakPolarHBondContact CG-NE2 3.29Å; H51-A53 VanDerWaalsContact C-N 3.31Å |
| 52 | F | 91.2 | Very high | 88.9 | Confident | 101 Ų | 101 | 62.6 Ų | 62.6 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 2.7 | 176.5 | -58.6 | -67.6 | 0 | 0 | 0 | 114 | S50 L54 | S50-F52 VanDerWaalsContact C-N 3.27Å; S50-F52 PolarHBondContact O-N 3.12Å; F52-L54 HydrophobicContact CB-CG 4.44Å; F52-L54 PolarHBondContact O-N 3.04Å |
| 53 | A | 95.9 | Very high | 86.5 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 52.2 | 35.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | C37 W38 V40 L49 S50 H51 | C37-A53 HydrophobicContact CB-CB 4.16Å; W38-A53 HydrophobicContact CB-CB 4.48Å; W38-A53 VanDerWaalsContact CB-O 3.26Å; W38-A53 WeakPolarHBondContact CB-O 3.42Å; W38-A53 PolarHBondContact N-O 3.38Å; W38-A53 VanDerWaalsContact O-CB 3.27Å; W38-A53 WeakPolarHBondContact O-CB 3.4Å; V40-A53 HydrophobicContact CG2-CB 4.22Å; L49-A53 HydrophobicContact CD1-CB 4.07Å; S50-A53 WeakPolarHBondContact O-CA 3.46Å; S50-A53 PolarHBondContact O-N 2.62Å; H51-A53 VanDerWaalsContact C-N 3.31Å |
| 54 | L | 96.6 | Very high | 83.9 | Confident | 35 Ų | 35 | 72.4 Ų | 72.4 | 18% | 0.183 | 37% | 0.366 | C | S | . | . | trans | -103.8 | -20.1 | 173.1 | -64.4 | -179.6 | 0 | 0 | 0 | 113.1 | R36 C37 F52 T207 T208 F210 | R36-L54 WeakPolarHBondContact O-CD2 3.42Å; C37-L54 HydrophobicContact CB-CD2 4.06Å; F52-L54 HydrophobicContact CB-CG 4.44Å; F52-L54 PolarHBondContact O-N 3.04Å; L54-T207 CarbonylContact O-C 3.51Å; L54-T207 WeakPolarHBondContact O-CA 3.27Å; L54-T207 PolarHBondContact O-OG1 3.4Å; L54-T208 PolarHBondContact O-N 3.46Å; L54-F210 HydrophobicContact CD2-CD2 3.86Å; L54-F210 HydrophobicContact CD2-CE2 4.2Å | ||
| 55 | T | 97.4 | Very high | 81.3 | Confident | 26 Ų | 26 | 83.6 Ų | 83.6 | 16% | 0.16 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.9 | 179.3 | -37.6 | 0 | 0 | 0 | 0 | 109.7 | L49 S50 L98 V206 T207 | L49-T55 CarbonylContact C-O 3.53Å; L49-T55 WeakPolarHBondContact CA-O 3.21Å; S50-T55 PolarHBondContact N-O 3.32Å; S50-T55 VanDerWaalsContact OG-CB 3.26Å; S50-T55 WeakPolarHBondContact OG-CB 3.28Å; S50-T55 PolarHBondContact OG-N 3.29Å; S50-T55 PolarHBondContact OG-OG1 3.15Å; T55-L98 HydrophobicContact CG2-CD1 3.92Å; T55-V206 CarbonylContact C-O 3.5Å; T55-V206 VanDerWaalsContact CA-O 3.32Å; T55-V206 WeakPolarHBondContact CA-O 3.12Å; T55-V206 VanDerWaalsContact CG2-O 3.26Å; T55-V206 WeakPolarHBondContact CG2-O 3.33Å; T55-T207 PolarHBondContact OG1-OG1 3.22Å; T55-T207 VanDerWaalsContact OG1-OG1 3.09Å |
| 56 | V | 97.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 134.6 | -175 | -165.7 | 0 | 0 | 0 | 0 | 109.3 | W38 L47 R48 L49 V78 I197 L199 R205 V206 | W38-V56 HydrophobicContact CD2-CG2 4.44Å; W38-V56 HydrophobicContact CG-CG2 3.86Å; L47-V56 HydrophobicContact CB-CG1 4.23Å; L47-V56 HydrophobicContact CD1-CG1 3.94Å; L47-V56 HydrophobicContact CD2-CG1 4.21Å; L47-V56 HydrophobicContact CG-CG1 4.36Å; R48-V56 WeakPolarHBondContact O-CA 3.23Å; L49-V56 HydrophobicContact CD2-CB 4.12Å; L49-V56 HydrophobicContact CD2-CG1 3.91Å; L49-V56 HydrophobicContact CD2-CG2 3.54Å; V56-V78 HydrophobicContact CG1-CG1 4.06Å; V56-V78 HydrophobicContact CG2-CG1 4.25Å; V56-I197 HydrophobicContact CB-CD1 4.05Å; V56-I197 HydrophobicContact CG1-CD1 4.48Å; V56-I197 HydrophobicContact CG2-CD1 3.73Å; V56-L199 HydrophobicContact CB-CD1 3.92Å; V56-L199 HydrophobicContact CG1-CD1 3.42Å; V56-L199 VanDerWaalsContact CG1-CD1 3.42Å; V56-R205 WeakPolarHBondContact O-CA 3.22Å; V56-V206 HydrophobicContact CB-CG1 3.97Å; V56-V206 PolarHBondContact N-O 3.42Å; V56-V206 PolarHBondContact O-N 3.1Å |
| 57 | S | 95.5 | Very high | 76.2 | Confident | 27 Ų | 27 | 82.4 Ų | 82.4 | 19% | 0.189 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 125 | -173.8 | -51.8 | 0 | 0 | 0 | 0 | 111 | R48 S59 V204 | R48-S57 PolarHBondContact N-O 2.93Å; R48-S57 PolarHBondContact O-N 2.94Å; S57-S59 PolarHBondContact O-N 3.17Å; S57-V204 WeakPolarHBondContact CA-O 3.45Å |
| 58 | F | 94 | Very high | 73.5 | Confident | 15 Ų | 15 | 87.5 Ų | 87.5 | 7% | 0.066 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.6 | 177.3 | -170.7 | -80.5 | 0 | 0 | 0 | 110.9 | L47 A76 L199 G201 V204 | L47-F58 HydrophobicContact CD2-CD2 4.27Å; F58-A76 HydrophobicContact CD2-CB 3.91Å; F58-A76 HydrophobicContact CE2-CB 3.65Å; F58-L199 HydrophobicContact CB-CB 4.25Å; F58-L199 HydrophobicContact CD2-CB 4.04Å; F58-L199 VanDerWaalsContact CD2-O 3.31Å; F58-L199 WeakPolarHBondContact CD2-O 2.81Å; F58-L199 WeakPolarHBondContact CE2-O 3.42Å; F58-G201 WeakPolarHBondContact CB-O 3.37Å; F58-G201 WeakPolarHBondContact CD1-O 3.37Å; F58-G201 VanDerWaalsContact CG-O 3.31Å; F58-G201 WeakPolarHBondContact CG-O 3.46Å; F58-V204 HydrophobicContact CB-CB 4.43Å; F58-V204 PolarHBondContact N-O 3.41Å |
| 59 | S | 85.1 | Confident | 70.7 | Confident | 34 Ų | 34 | 84.7 Ų | 84.7 | 24% | 0.238 | 46% | 0.464 | C | S | . | . | trans | -127.1 | 99.8 | -175.5 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | S46 R48 S57 | S46-S59 CarbonylContact O-C 3.57Å; S46-S59 PolarHBondContact O-N 3.39Å; S46-S59 VanDerWaalsContact O-O 3.14Å; R48-S59 VanDerWaalsContact CD-OG 3.3Å; R48-S59 WeakPolarHBondContact CD-OG 3.4Å; R48-S59 WeakPolarHBondContact CG-OG 3.09Å; S57-S59 PolarHBondContact O-N 3.17Å | ||
| 60 | S | 67.5 | Low | 67.7 | Low | 59 Ų | 59 | 88.1 Ų | 88.1 | 41% | 0.413 | 49% | 0.49 | S | S | . | . | trans | -58.6 | 142.9 | 169.3 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 61 | G | 58.6 | Low | 65.1 | Low | 56 Ų | 56 | 91 Ų | 91 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | trans | -61.8 | 155.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | N63 | G61-N63 PolarHBondContact O-N 3.23Š| ||
| 62 | F | 50 | Low | 63.3 | Low | 168 Ų | 168 | 87.3 Ų | 87.3 | 74% | 0.737 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -76 | 28.3 | -173.7 | -83.4 | -85.7 | 0 | 0 | 0 | 115 | E64 | F62-E64 PolarHBondContact O-N 3.37Š|
| 63 | N | 45.7 | Very low | 62.1 | Low | 155 Ų | 155 | 86.6 Ų | 86.6 | 83% | 0.829 | 51% | 0.51 | S | S | * | . | trans | -79.3 | 74.2 | 175 | -79.8 | 18.3 | 0 | 0 | 0 | 110.8 | G61 R65 | G61-N63 PolarHBondContact O-N 3.23Å; N63-R65 PolarHBondContact O-N 3.14Å | ||
| 64 | E | 39.5 | Very low | 61.4 | Low | 147 Ų | 147 | 92.3 Ų | 92.3 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | trans | -73.5 | 73.3 | 172 | -63.5 | -169 | 150.1 | 0 | 0 | 110.7 | F62 | F62-E64 PolarHBondContact O-N 3.37Š| ||
| 65 | R | 39.7 | Very low | 61.2 | Low | 243 Ų | 243 | 91.1 Ų | 91.1 | 92% | 0.917 | 53% | 0.531 | S | S | * | . | trans | -163 | 54.3 | 176.2 | -109.1 | 159.3 | -148.6 | -146.5 | 6.7 | 114.6 | N63 | N63-R65 PolarHBondContact O-N 3.14Š| ||
| 66 | S | 42.7 | Very low | 61.1 | Low | 109 Ų | 109 | 89.9 Ų | 89.9 | 76% | 0.762 | 52% | 0.524 | S | S | * | . | trans | -166.3 | 109.5 | 156.6 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 67 | D | 33.4 | Very low | 61 | Low | 164 Ų | 164 | 90 Ų | 90 | 88% | 0.877 | 53% | 0.525 | S | S | * | . | trans | -73.3 | 131.5 | 153.6 | -82.1 | -52.9 | 0 | 0 | 0 | 109.3 | ||||
| 68 | S | 38 | Very low | 61.2 | Low | 109 Ų | 109 | 88.8 Ų | 88.8 | 76% | 0.762 | 52% | 0.516 | S | S | * | . | trans | 129.4 | 140 | 156.6 | 70 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 69 | S | 35.7 | Very low | 61.3 | Low | 98 Ų | 98 | 88.5 Ų | 88.5 | 69% | 0.685 | 51% | 0.514 | S | S | * | . | trans | 63.5 | 119.2 | 179.6 | 77.9 | 0 | 0 | 0 | 0 | 116.7 | S71 | S69-S71 VanDerWaalsContact C-N 3.25Å; S69-S71 PolarHBondContact O-N 2.88Å | ||
| 70 | C | 33.9 | Very low | 61.9 | Low | 108 Ų | 108 | 86.9 Ų | 86.9 | 73% | 0.73 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -90.5 | 29.4 | -178 | -150.3 | 0 | 0 | 0 | 0 | 113 | N103 | C70-N103 PolarHBondContact SG-ND2 2.93Š|
| 71 | S | 40.1 | Very low | 63.3 | Low | 104 Ų | 104 | 86 Ų | 86 | 73% | 0.727 | 49% | 0.494 | S | S | * | . | trans | -116.7 | -2.7 | -163 | 48.4 | 0 | 0 | 0 | 0 | 115.5 | S69 | S69-S71 VanDerWaalsContact C-N 3.25Å; S69-S71 PolarHBondContact O-N 2.88Å | ||
| 72 | G | 52.5 | Low | 65 | Low | 71 Ų | 71 | 84.2 Ų | 84.2 | 73% | 0.732 | 47% | 0.474 | S | S | * | . | trans | -111.2 | 6.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | E74 | G72-E74 PolarHBondContact O-N 2.94Š| ||
| 73 | Q | 64.6 | Low | 67.1 | Low | 85 Ų | 85 | 77 Ų | 77 | 40% | 0.397 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 118.4 | 178.7 | -68.6 | -171.3 | -2.9 | 0 | 0 | 110.7 | Q200 G201 | Q73-Q200 HydrophobicContact CB-CG 4.4Å; Q73-Q200 PolarHBondContact O-NE2 3.26Å; Q73-G201 VanDerWaalsContact OE1-CA 3.27Å |
| 74 | E | 82.7 | Confident | 69.5 | Low | 126 Ų | 126 | 69.8 Ų | 69.8 | 59% | 0.589 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 151.6 | 172.6 | -64 | -166 | 158.3 | 0 | 0 | 111.9 | G72 N118 | G72-E74 PolarHBondContact O-N 2.94Å; E74-N118 PolarHBondContact OE2-ND2 3.27Å |
| 75 | A | 91.9 | Very high | 71.8 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 142.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | N118 F120 | A75-N118 CarbonylContact O-C 3.55Å; A75-N118 WeakPolarHBondContact O-CA 3.25Å; A75-N118 VanDerWaalsContact O-O 3.13Å; A75-F120 HydrophobicContact CB-CD1 3.97Å; A75-F120 HydrophobicContact CB-CD2 3.68Å; A75-F120 HydrophobicContact CB-CE1 3.97Å; A75-F120 HydrophobicContact CB-CE2 3.68Å; A75-F120 HydrophobicContact CB-CG 3.83Å; A75-F120 HydrophobicContact CB-CZ 3.84Å |
| 76 | A | 94.8 | Very high | 74 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L47 F58 L199 | L47-A76 HydrophobicContact CD2-CB 3.68Å; L47-A76 HydrophobicContact CG-CB 3.89Å; F58-A76 HydrophobicContact CD2-CB 3.91Å; F58-A76 HydrophobicContact CE2-CB 3.65Å; A76-L199 PolarHBondContact N-O 3.34Å; A76-L199 PolarHBondContact O-N 3.08Å |
| 77 | C | 96.3 | Very high | 75.7 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 160.7 | -171.5 | -64.3 | 0 | 0 | 0 | 0 | 113.7 | R43 S44 L47 L117 K119 I197 G198 | R43-C77 CarbonylContact C-O 3.6Å; R43-C77 WeakPolarHBondContact CA-O 3.42Å; S44-C77 PolarHBondContact N-O 3.28Å; L47-C77 WeakPolarHBondContact CD1-O 3.49Å; C77-L117 WeakPolarHBondContact CB-O 3.48Å; C77-L117 PolarHBondContact N-O 2.93Å; C77-K119 PolarHBondContact SG-O 3.38Å; C77-I197 WeakPolarHBondContact CA-O 3.37Å; C77-I197 WeakPolarHBondContact CB-O 3.32Å; C77-G198 WeakPolarHBondContact SG-CA 3.35Å |
| 78 | V | 97.9 | Very high | 78 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 141.1 | 172.8 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | W38 R43 L47 V56 T196 I197 | W38-V78 HydrophobicContact CB-CG2 3.8Å; W38-V78 HydrophobicContact CD2-CG1 4.07Å; W38-V78 HydrophobicContact CD2-CG2 4.41Å; W38-V78 HydrophobicContact CE3-CG1 3.96Å; W38-V78 HydrophobicContact CE3-CG2 4.06Å; W38-V78 HydrophobicContact CG-CG1 4.34Å; W38-V78 HydrophobicContact CG-CG2 4.35Å; R43-V78 HydrophobicContact CB-CB 3.69Å; R43-V78 HydrophobicContact CB-CG2 3.61Å; L47-V78 HydrophobicContact CD1-CB 3.85Å; L47-V78 HydrophobicContact CD1-CG1 3.87Å; V56-V78 HydrophobicContact CG1-CG1 4.06Å; V56-V78 HydrophobicContact CG2-CG1 4.25Å; V78-T196 WeakPolarHBondContact O-CA 3.47Å; V78-I197 HydrophobicContact CG1-CD1 4.08Å; V78-I197 HydrophobicContact CG1-CG1 3.64Å; V78-I197 PolarHBondContact N-O 3.42Å; V78-I197 PolarHBondContact O-N 3.03Å |
| 79 | R | 98 | Very high | 80.3 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 162 | 172.4 | -80.6 | 180 | -75 | -102.9 | -0.4 | 111.5 | N39 D42 M112 K113 S115 F194 P195 T196 | N39-R79 VanDerWaalsContact CB-O 3.22Å; N39-R79 WeakPolarHBondContact CB-O 3.24Å; N39-R79 PolarHBondContact N-O 3.49Å; D42-R79 VanDerWaalsContact CG-NE 3.34Å; D42-R79 PolarHBondContact O-N 3.41Å; D42-R79 VanDerWaalsContact O-N 3.16Å; D42-R79 IonicContact OD1-CZ 2.64Å; D42-R79 IonicContact OD1-NE 3.72Å; D42-R79 PolarHBondContact OD1-NE 3.14Å; D42-R79 IonicContact OD1-NH2 3.13Å; D42-R79 PolarHBondContact OD1-NH2 3.04Å; D42-R79 IonicContact OD2-CZ 3.7Å; D42-R79 IonicContact OD2-NE 2.75Å; D42-R79 PolarHBondContact OD2-NE 2.91Å; D42-R79 IonicContact OD2-NH2 3.4Å; R79-M112 PolarHBondContact NH1-O 3.46Å; R79-M112 VanDerWaalsContact NH1-O 3.14Å; R79-K113 PolarHBondContact NH2-O 2.94Å; R79-S115 PolarHBondContact NH1-O 3.48Å; R79-S115 PolarHBondContact NH2-O 2.89Å; R79-F194 HydrophobicContact CB-CB 4.05Å; R79-F194 HydrophobicContact CB-CG 4.48Å; R79-F194 HydrophobicContact CG-CB 3.92Å; R79-P195 WeakPolarHBondContact CA-O 3.43Å; R79-T196 HydrophobicContact CG-CG2 4.38Å |
| 80 | S | 97.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 164.2 | 173.7 | 49.7 | 0 | 0 | 0 | 0 | 114 | C37 A82 P195 | C37-S80 CarbonylContact O-C 3.52Å; C37-S80 VanDerWaalsContact O-CA 3.29Å; C37-S80 WeakPolarHBondContact O-CA 3.3Å; S80-A82 VanDerWaalsContact C-N 3.33Å; S80-A82 PolarHBondContact O-N 2.95Å; S80-A82 PolarHBondContact OG-O 2.94Å; S80-P195 PolarHBondContact N-O 2.94Å; S80-P195 VanDerWaalsContact N-O 3.1Å; S80-P195 VanDerWaalsContact OG-CD 3.25Å; S80-P195 WeakPolarHBondContact OG-CD 3.32Å |
| 81 | D | 95.8 | Very high | 85.8 | Confident | 41 Ų | 41 | 32 Ų | 32 | 22% | 0.219 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -60.8 | -36.4 | 175.2 | 66 | -42.8 | 0 | 0 | 0 | 113.6 | R33 P35 R36 C37 | R33-D81 IonicContact CZ-OD2 3.45Å; R33-D81 IonicContact NE-OD2 3.75Å; R33-D81 PolarHBondContact NE-OD2 3.14Å; R33-D81 IonicContact NH2-OD2 2.69Å; R33-D81 PolarHBondContact NH2-OD2 2.91Å; P35-D81 WeakPolarHBondContact CA-OD1 3.37Å; R36-D81 PolarHBondContact N-OD1 3.16Å; C37-D81 PolarHBondContact N-OD1 3.32Å; C37-D81 PolarHBondContact O-N 3.42Å; C37-D81 VanDerWaalsContact O-OD1 3.14Å |
| 82 | A | 94.6 | Very high | 88.5 | Confident | 19 Ų | 19 | 27.1 Ų | 27.1 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -125.7 | 160.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R33 S80 F194 | R33-A82 WeakPolarHBondContact O-CB 3.47Å; S80-A82 VanDerWaalsContact C-N 3.33Å; S80-A82 PolarHBondContact O-N 2.95Å; S80-A82 PolarHBondContact OG-O 2.94Å; A82-F194 WeakPolarHBondContact O-CD1 3.46Å |
| 83 | S | 94.7 | Very high | 90.7 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 11% | 0.105 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -80.2 | 154 | 167.5 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | P85 L193 | S83-P85 WeakPolarHBondContact O-CD 3.44Å; S83-L193 CarbonylContact C-O 3.56Å; S83-L193 VanDerWaalsContact CA-O 3.31Å; S83-L193 WeakPolarHBondContact CA-O 3.45Å; S83-L193 WeakPolarHBondContact CB-O 3.45Å |
| 84 | I | 94.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 125 | 174.3 | -47.8 | 171.1 | 0 | 0 | 0 | 109.5 | P35 Y91 V110 V161 F163 L193 P195 | P35-I84 HydrophobicContact CG-CG1 4.26Å; I84-Y91 HydrophobicContact CD1-CD1 3.64Å; I84-Y91 HydrophobicContact CD1-CE1 4.23Å; I84-Y91 HydrophobicContact CD1-CG 4.32Å; I84-Y91 HydrophobicContact CG1-CD1 3.86Å; I84-Y91 HydrophobicContact CG1-CE1 4.17Å; I84-Y91 HydrophobicContact CG1-CG 4.35Å; I84-Y91 VanDerWaalsContact CG2-CB 3.45Å; I84-Y91 HydrophobicContact CG2-CD1 3.93Å; I84-Y91 HydrophobicContact CG2-CD2 4.08Å; I84-Y91 HydrophobicContact CG2-CG 3.54Å; I84-V110 HydrophobicContact CD1-CG1 4.17Å; I84-V161 HydrophobicContact CD1-CB 4.12Å; I84-V161 HydrophobicContact CD1-CG1 4.42Å; I84-V161 HydrophobicContact CD1-CG2 3.72Å; I84-F163 HydrophobicContact CB-CE2 4.34Å; I84-F163 HydrophobicContact CB-CZ 3.97Å; I84-F163 HydrophobicContact CG2-CE2 3.63Å; I84-F163 HydrophobicContact CG2-CZ 3.76Å; I84-L193 PolarHBondContact N-O 3.42Å; I84-P195 HydrophobicContact CD1-CG 4.38Å; I84-P195 HydrophobicContact CG1-CG 4.22Å |
| 85 | P | 89.2 | Confident | 93 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.013 | 9% | 0.086 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 133.6 | 172.5 | -19.1 | 32.8 | 0 | 0 | 0 | 111.5 | Q32 L34 S83 T87 T88 | Q32-P85 HydrophobicContact CB-CB 4.04Å; Q32-P85 HydrophobicContact CB-CG 3.87Å; Q32-P85 WeakPolarHBondContact O-CG 3.5Å; L34-P85 HydrophobicContact CD2-CG 4.05Å; S83-P85 WeakPolarHBondContact O-CD 3.44Å; P85-T87 WeakPolarHBondContact CB-OG1 3.35Å; P85-T87 PolarHBondContact O-N 3.34Å; P85-T88 HydrophobicContact CB-CG2 4.34Å; P85-T88 HydrophobicContact CG-CG2 4.46Å; P85-T88 WeakPolarHBondContact O-CB 3.23Å; P85-T88 WeakPolarHBondContact O-CG2 3.44Å; P85-T88 PolarHBondContact O-N 2.88Å; P85-T88 VanDerWaalsContact O-N 3.09Å; P85-T88 PolarHBondContact O-OG1 3.31Å |
| 86 | L | 85.7 | Confident | 93.3 | Very high | 66 Ų | 66 | 15.5 Ų | 15.5 | 35% | 0.346 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -59.7 | -28.7 | 174 | -61.6 | 178.2 | 0 | 0 | 0 | 112.1 | T88 G89 F163 | L86-T88 PolarHBondContact O-N 3.12Å; L86-T88 VanDerWaalsContact O-N 3.12Å; L86-G89 PolarHBondContact O-N 3.49Å; L86-G89 VanDerWaalsContact O-N 3.08Å; L86-F163 HydrophobicContact CD2-CD1 3.59Å; L86-F163 HydrophobicContact CD2-CD2 4.31Å; L86-F163 HydrophobicContact CD2-CE1 3.59Å; L86-F163 HydrophobicContact CD2-CE2 4.32Å; L86-F163 HydrophobicContact CD2-CG 3.96Å; L86-F163 HydrophobicContact CD2-CZ 3.97Å |
| 87 | T | 78.2 | Confident | 93.5 | Very high | 84 Ų | 84 | 15.4 Ų | 15.4 | 52% | 0.515 | 9% | 0.093 | S | C | . | . | G | 310 helix | trans | -66.8 | -2.9 | 176 | 53.5 | 0 | 0 | 0 | 0 | 114.6 | S25 P85 | S25-T87 PolarHBondContact OG-O 2.93Å; P85-T87 WeakPolarHBondContact CB-OG1 3.35Å; P85-T87 PolarHBondContact O-N 3.34Å |
| 88 | T | 81.8 | Confident | 93.5 | Very high | 13 Ų | 13 | 18.4 Ų | 18.4 | 8% | 0.08 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -75.2 | -27.1 | 167.3 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | Y22 L34 P85 L86 I90 Y91 | Y22-T88 HydrophobicContact CD1-CG2 4.27Å; Y22-T88 HydrophobicContact CD2-CG2 4.15Å; Y22-T88 HydrophobicContact CE1-CG2 4.01Å; Y22-T88 WeakPolarHBondContact CE1-O 3.43Å; Y22-T88 HydrophobicContact CE2-CG2 3.86Å; Y22-T88 HydrophobicContact CG-CG2 4.36Å; L34-T88 HydrophobicContact CD2-CG2 3.57Å; P85-T88 HydrophobicContact CB-CG2 4.34Å; P85-T88 HydrophobicContact CG-CG2 4.46Å; P85-T88 WeakPolarHBondContact O-CB 3.23Å; P85-T88 WeakPolarHBondContact O-CG2 3.44Å; P85-T88 PolarHBondContact O-N 2.88Å; P85-T88 VanDerWaalsContact O-N 3.09Å; P85-T88 PolarHBondContact O-OG1 3.31Å; L86-T88 PolarHBondContact O-N 3.12Å; L86-T88 VanDerWaalsContact O-N 3.12Å; T88-I90 PolarHBondContact O-N 3.25Å; T88-Y91 HydrophobicContact CG2-CD2 4.44Å |
| 89 | G | 85.6 | Confident | 93.4 | Very high | 13 Ų | 13 | 21.1 Ų | 21.1 | 13% | 0.134 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 70.4 | -58.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L86 F163 | L86-G89 PolarHBondContact O-N 3.49Å; L86-G89 VanDerWaalsContact O-N 3.08Å; G89-F163 PolarHBondContact O-N 2.78Å |
| 90 | I | 91 | Very high | 93 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 119.1 | 171.5 | -52.4 | -178.4 | 0 | 0 | 0 | 108.6 | Y22 T88 V161 D162 L164 F169 F219 L223 E226 | Y22-I90 PolarHBondContact OH-O 2.99Å; Y22-I90 VanDerWaalsContact OH-O 3.07Å; T88-I90 PolarHBondContact O-N 3.25Å; I90-V161 CarbonylContact C-O 3.59Å; I90-V161 VanDerWaalsContact CA-O 3.29Å; I90-V161 WeakPolarHBondContact CA-O 3.03Å; I90-D162 HydrophobicContact CD1-CB 4.42Å; I90-D162 HydrophobicContact CG1-CB 4.08Å; I90-D162 HydrophobicContact CG2-CB 4.27Å; I90-L164 HydrophobicContact CG1-CD1 4.46Å; I90-F169 HydrophobicContact CG2-CE1 3.85Å; I90-F169 HydrophobicContact CG2-CZ 4.4Å; I90-F219 HydrophobicContact CG2-CE2 4.08Å; I90-F219 HydrophobicContact CG2-CZ 4.3Å; I90-L223 HydrophobicContact CB-CD2 3.84Å; I90-L223 HydrophobicContact CD1-CD2 4.27Å; I90-L223 HydrophobicContact CG1-CD2 4.46Å; I90-L223 HydrophobicContact CG2-CD2 4.27Å; I90-E226 HydrophobicContact CD1-CB 3.94Å; I90-E226 HydrophobicContact CD1-CG 4.2Å |
| 91 | Y | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 158.1 | 175.3 | -179.5 | -99.8 | 0 | 0 | 0 | 111.5 | W18 L34 P35 I84 T88 F93 G160 V161 P195 | W18-Y91 HydrophobicContact CH2-CD2 4.4Å; W18-Y91 HydrophobicContact CH2-CE2 4.24Å; W18-Y91 AromaticContact CZ2-CE2 3.94Å; W18-Y91 HydrophobicContact CZ2-CE2 3.94Å; L34-Y91 HydrophobicContact CD2-CD2 4.43Å; L34-Y91 HydrophobicContact CD2-CE2 4.37Å; P35-Y91 HydrophobicContact CG-CE1 4.39Å; I84-Y91 HydrophobicContact CD1-CD1 3.64Å; I84-Y91 HydrophobicContact CD1-CE1 4.23Å; I84-Y91 HydrophobicContact CD1-CG 4.32Å; I84-Y91 HydrophobicContact CG1-CD1 3.86Å; I84-Y91 HydrophobicContact CG1-CE1 4.17Å; I84-Y91 HydrophobicContact CG1-CG 4.35Å; I84-Y91 VanDerWaalsContact CG2-CB 3.45Å; I84-Y91 HydrophobicContact CG2-CD1 3.93Å; I84-Y91 HydrophobicContact CG2-CD2 4.08Å; I84-Y91 HydrophobicContact CG2-CG 3.54Å; T88-Y91 HydrophobicContact CG2-CD2 4.44Å; Y91-F93 HydrophobicContact CE1-CB 4.28Å; Y91-F93 AromaticContact CE1-CD1 3.99Å; Y91-F93 HydrophobicContact CE1-CD1 3.99Å; Y91-G160 CarbonylContact O-C 3.55Å; Y91-G160 VanDerWaalsContact O-CA 3.25Å; Y91-G160 WeakPolarHBondContact O-CA 3.33Å; Y91-V161 PolarHBondContact N-O 3.25Å; Y91-V161 PolarHBondContact O-N 3.39Å; Y91-P195 HydrophobicContact CE1-CG 4.06Å |
| 92 | Y | 97.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 143.3 | -179.2 | -177.4 | -103.5 | 0 | 0 | 0 | 112.4 | W18 E94 G158 C159 F169 T171 F215 F217 F219 | W18-Y92 WeakPolarHBondContact CH2-O 3.36Å; Y92-E94 HydrophobicContact CD1-CG 4.46Å; Y92-E94 HydrophobicContact CE1-CG 3.47Å; Y92-E94 VanDerWaalsContact CE1-CG 3.47Å; Y92-E94 WeakPolarHBondContact CE1-OE1 3.38Å; Y92-E94 VanDerWaalsContact OH-CG 3.31Å; Y92-E94 WeakPolarHBondContact OH-CG 3.33Å; Y92-E94 PolarHBondContact OH-OE1 2.92Å; Y92-G158 WeakPolarHBondContact OH-CA 3.3Å; Y92-C159 WeakPolarHBondContact CA-O 3.48Å; Y92-F169 AromaticContact CD2-CE2 3.64Å; Y92-F169 HydrophobicContact CD2-CE2 3.64Å; Y92-F169 AromaticContact CD2-CZ 3.92Å; Y92-F169 HydrophobicContact CD2-CZ 3.92Å; Y92-F169 AromaticContact CE2-CE2 3.82Å; Y92-F169 HydrophobicContact CE2-CE2 3.82Å; Y92-T171 HydrophobicContact CE2-CG2 3.82Å; Y92-T171 PolarHBondContact OH-OG1 3.45Å; Y92-F215 HydrophobicContact CD1-CB 4.5Å; Y92-F215 AromaticContact CD1-CD1 3.97Å; Y92-F215 HydrophobicContact CD1-CD1 3.97Å; Y92-F215 AromaticContact CD1-CD2 3.66Å; Y92-F215 HydrophobicContact CD1-CD2 3.66Å; Y92-F215 HydrophobicContact CD1-CE1 4.04Å; Y92-F215 AromaticContact CD1-CE2 3.74Å; Y92-F215 HydrophobicContact CD1-CE2 3.74Å; Y92-F215 AromaticContact CD1-CG 3.79Å; Y92-F215 HydrophobicContact CD1-CG 3.79Å; Y92-F215 AromaticContact CD1-CZ 3.93Å; Y92-F215 HydrophobicContact CD1-CZ 3.93Å; Y92-F215 HydrophobicContact CE1-CB 3.96Å; Y92-F215 AromaticContact CE1-CD1 3.82Å; Y92-F215 HydrophobicContact CE1-CD1 3.82Å; Y92-F215 AromaticContact CE1-CD2 3.99Å; Y92-F215 HydrophobicContact CE1-CD2 3.99Å; Y92-F215 HydrophobicContact CE1-CE1 4.3Å; Y92-F215 HydrophobicContact CE1-CE2 4.45Å; Y92-F215 AromaticContact CE1-CG 3.66Å; Y92-F215 HydrophobicContact CE1-CG 3.66Å; Y92-F215 WeakPolarHBondContact O-CZ 3.18Å; Y92-F217 HydrophobicContact CD2-CD1 4.48Å; Y92-F217 HydrophobicContact CE1-CB 4.01Å; Y92-F217 HydrophobicContact CE1-CD1 4.06Å; Y92-F217 AromaticContact CE2-CD1 3.91Å; Y92-F217 HydrophobicContact CE2-CD1 3.91Å; Y92-F217 AromaticContact CZ-CD1 3.67Å; Y92-F217 WeakPolarHBondContact OH-CB 3.36Å; Y92-F219 HydrophobicContact CD1-CB 4.26Å; Y92-F219 HydrophobicContact CD1-CD2 4.08Å; Y92-F219 HydrophobicContact CD1-CG 4.13Å; Y92-F219 HydrophobicContact CD2-CD2 4.35Å; Y92-F219 AromaticContact CG-CD2 3.77Å; Y92-F219 HydrophobicContact CG-CD2 3.77Å; Y92-F219 HydrophobicContact CG-CE2 4.06Å; Y92-F219 HydrophobicContact CG-CG 4.26Å |
| 93 | F | 98 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 158.6 | 171 | 72.3 | -82.4 | 0 | 0 | 0 | 110.9 | W38 Y91 I95 V108 G158 C159 P195 T208 F210 | W38-F93 HydrophobicContact CH2-CE2 4.34Å; Y91-F93 HydrophobicContact CE1-CB 4.28Å; Y91-F93 AromaticContact CE1-CD1 3.99Å; Y91-F93 HydrophobicContact CE1-CD1 3.99Å; F93-I95 HydrophobicContact CD2-CG2 4.08Å; F93-I95 HydrophobicContact CE2-CG2 3.91Å; F93-V108 HydrophobicContact CE2-CG1 4.14Å; F93-V108 HydrophobicContact CZ-CG1 4.19Å; F93-G158 CarbonylContact O-C 3.55Å; F93-G158 WeakPolarHBondContact O-CA 3.39Å; F93-C159 HydrophobicContact CD1-CB 4.12Å; F93-C159 WeakPolarHBondContact CD1-O 3.29Å; F93-C159 HydrophobicContact CE1-CB 3.55Å; F93-C159 HydrophobicContact CE2-CB 4.35Å; F93-C159 HydrophobicContact CZ-CB 3.68Å; F93-C159 PolarHBondContact N-O 3.35Å; F93-C159 VanDerWaalsContact N-O 3.11Å; F93-C159 PolarHBondContact O-N 2.96Å; F93-P195 HydrophobicContact CD1-CB 4.17Å; F93-P195 HydrophobicContact CD1-CG 4.12Å; F93-P195 HydrophobicContact CE1-CB 3.75Å; F93-P195 HydrophobicContact CE1-CG 4.02Å; F93-P195 HydrophobicContact CE2-CB 4.32Å; F93-P195 HydrophobicContact CZ-CB 3.84Å; F93-T208 HydrophobicContact CD2-CG2 4.16Å; F93-F210 HydrophobicContact CB-CD1 3.87Å; F93-F210 HydrophobicContact CB-CE1 4.34Å; F93-F210 HydrophobicContact CD2-CE1 4.19Å; F93-F210 HydrophobicContact CG-CD1 4.29Å; F93-F210 HydrophobicContact CG-CE1 4.26Å |
| 94 | E | 98.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.7 | -179.5 | -72.2 | -178.4 | 164.3 | 0 | 0 | 112.3 | Y92 I156 T208 N209 F215 Y216 F217 | Y92-E94 HydrophobicContact CD1-CG 4.46Å; Y92-E94 HydrophobicContact CE1-CG 3.47Å; Y92-E94 VanDerWaalsContact CE1-CG 3.47Å; Y92-E94 WeakPolarHBondContact CE1-OE1 3.38Å; Y92-E94 VanDerWaalsContact OH-CG 3.31Å; Y92-E94 WeakPolarHBondContact OH-CG 3.33Å; Y92-E94 PolarHBondContact OH-OE1 2.92Å; E94-I156 HydrophobicContact CB-CG2 4.1Å; E94-I156 HydrophobicContact CG-CG2 4.33Å; E94-T208 CarbonylContact O-C 3.58Å; E94-T208 WeakPolarHBondContact O-CA 3.39Å; E94-T208 WeakPolarHBondContact O-CG2 3.48Å; E94-N209 PolarHBondContact N-O 3.17Å; E94-N209 PolarHBondContact O-N 3.46Å; E94-F215 HydrophobicContact CB-CD1 4.15Å; E94-F215 HydrophobicContact CG-CD1 3.75Å; E94-F215 HydrophobicContact CG-CE1 4.38Å; E94-F215 HydrophobicContact CG-CG 4.5Å; E94-F215 WeakPolarHBondContact OE2-CA 3.26Å; E94-Y216 PolarHBondContact OE1-N 2.97Å; E94-Y216 PolarHBondContact OE2-N 2.93Å; E94-F217 WeakPolarHBondContact OE1-CB 3.36Å; E94-F217 PolarHBondContact OE1-N 3.19Å |
| 95 | I | 98.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 142.6 | 174.4 | 68.5 | 100.3 | 0 | 0 | 0 | 110.6 | F93 L106 V108 I156 I157 I197 V206 T207 T208 | F93-I95 HydrophobicContact CD2-CG2 4.08Å; F93-I95 HydrophobicContact CE2-CG2 3.91Å; I95-L106 HydrophobicContact CD1-CD2 3.51Å; I95-V108 HydrophobicContact CD1-CG2 3.65Å; I95-V108 HydrophobicContact CG1-CG1 4.04Å; I95-V108 HydrophobicContact CG1-CG2 3.71Å; I95-V108 HydrophobicContact CG2-CG1 4.42Å; I95-I156 CarbonylContact O-C 3.56Å; I95-I156 VanDerWaalsContact O-CA 3.32Å; I95-I156 WeakPolarHBondContact O-CA 3.48Å; I95-I157 HydrophobicContact CD1-CB 4.15Å; I95-I157 HydrophobicContact CG1-CB 4.07Å; I95-I157 WeakPolarHBondContact CG1-O 3.41Å; I95-I157 PolarHBondContact N-O 3.28Å; I95-I157 PolarHBondContact O-N 3.38Å; I95-I197 HydrophobicContact CG2-CG2 4.24Å; I95-V206 HydrophobicContact CB-CG2 3.85Å; I95-V206 HydrophobicContact CD1-CG2 3.67Å; I95-V206 HydrophobicContact CG1-CG2 4.34Å; I95-T207 CarbonylContact C-O 3.09Å; I95-T207 VanDerWaalsContact CA-O 3.24Å; I95-T207 WeakPolarHBondContact CA-O 3.49Å; I95-T208 HydrophobicContact CG2-CG2 3.96Å |
| 96 | T | 98.3 | Very high | 91.2 | Very high | 39 Ų | 39 | 32.5 Ų | 32.5 | 24% | 0.239 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.4 | 176 | -44.7 | 0 | 0 | 0 | 0 | 109.5 | L98 D155 I156 V206 T207 | T96-L98 HydrophobicContact CG2-CD2 4.32Å; T96-L98 PolarHBondContact O-N 2.94Å; T96-D155 WeakPolarHBondContact CA-O 3.36Å; T96-I156 HydrophobicContact CG2-CG1 4.02Å; T96-V206 WeakPolarHBondContact O-CA 3.5Å; T96-V206 WeakPolarHBondContact O-CG2 3.45Å; T96-T207 PolarHBondContact N-O 3.46Å; T96-T207 PolarHBondContact O-N 3.27Å |
| 97 | L | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 99.3 | -179.9 | 179.1 | 46.3 | 0 | 0 | 0 | 109.9 | N99 K100 L106 F151 N152 E153 N154 D155 V204 R205 | L97-N99 WeakPolarHBondContact CD1-O 3.44Å; L97-K100 HydrophobicContact CD1-CB 4.49Å; L97-K100 HydrophobicContact CD2-CB 4.22Å; L97-K100 HydrophobicContact CD2-CD 4.14Å; L97-K100 HydrophobicContact CD2-CG 4.34Å; L97-K100 HydrophobicContact CG-CB 4.49Å; L97-L106 HydrophobicContact CB-CD2 4.32Å; L97-L106 HydrophobicContact CD1-CD2 4.11Å; L97-L106 HydrophobicContact CD2-CD2 4.14Å; L97-L106 HydrophobicContact CG-CD2 4.42Å; L97-F151 HydrophobicContact CD2-CD2 4.21Å; L97-N152 WeakPolarHBondContact CD2-O 3.42Å; L97-E153 CarbonylContact O-C 3.52Å; L97-E153 WeakPolarHBondContact O-CA 3.26Å; L97-N154 PolarHBondContact O-N 3Å; L97-D155 PolarHBondContact N-O 3.22Å; L97-D155 VanDerWaalsContact N-O 3.09Å; L97-V204 HydrophobicContact CD1-CG1 4.07Å; L97-R205 WeakPolarHBondContact CD1-O 3.46Å |
| 98 | L | 97 | Very high | 92.7 | Very high | 66 Ų | 66 | 25.4 Ų | 25.4 | 35% | 0.346 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -30.9 | -175.2 | -57.4 | -179 | 0 | 0 | 0 | 113.5 | T55 T96 R205 T207 | T55-L98 HydrophobicContact CG2-CD1 3.92Å; T96-L98 HydrophobicContact CG2-CD2 4.32Å; T96-L98 PolarHBondContact O-N 2.94Å; L98-R205 WeakPolarHBondContact CA-O 3.33Å; L98-R205 HydrophobicContact CB-CB 4.15Å; L98-R205 WeakPolarHBondContact CB-O 3.49Å; L98-R205 PolarHBondContact N-O 2.9Å; L98-T207 HydrophobicContact CD1-CG2 4.21Å; L98-T207 HydrophobicContact CD2-CG2 4.08Å; L98-T207 HydrophobicContact CG-CG2 4.27Å |
| 99 | N | 95.2 | Very high | 93.4 | Very high | 57 Ų | 57 | 24.8 Ų | 24.8 | 31% | 0.305 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 138.2 | 174.1 | -167.5 | -84.7 | 0 | 0 | 0 | 109.6 | L97 G101 E153 G203 V204 R205 | L97-N99 WeakPolarHBondContact CD1-O 3.44Å; N99-G101 PolarHBondContact OD1-N 2.87Å; N99-E153 VanDerWaalsContact CA-OE1 3.28Å; N99-E153 WeakPolarHBondContact CA-OE1 3.49Å; N99-E153 PolarHBondContact ND2-OE1 3.27Å; N99-G203 PolarHBondContact OD1-O 3Å; N99-V204 CarbonylContact O-C 3.6Å; N99-V204 VanDerWaalsContact O-CA 3.3Å; N99-V204 WeakPolarHBondContact O-CA 3.38Å; N99-V204 WeakPolarHBondContact O-CG1 3.39Å; N99-R205 HydrophobicContact CB-CB 4.11Å; N99-R205 PolarHBondContact N-O 3Å; N99-R205 PolarHBondContact O-N 3Å |
| 100 | K | 90.5 | Very high | 94 | Very high | 30 Ų | 30 | 24.1 Ų | 24.1 | 13% | 0.13 | 15% | 0.149 | C | C | . | . | trans | -111.7 | -16.8 | 179 | -170.2 | 170.4 | -177 | 172.1 | 0 | 112.4 | L97 G104 S132 F151 N152 E153 V204 | L97-K100 HydrophobicContact CD1-CB 4.49Å; L97-K100 HydrophobicContact CD2-CB 4.22Å; L97-K100 HydrophobicContact CD2-CD 4.14Å; L97-K100 HydrophobicContact CD2-CG 4.34Å; L97-K100 HydrophobicContact CG-CB 4.49Å; K100-G104 WeakPolarHBondContact CE-O 3.4Å; K100-G104 WeakPolarHBondContact CG-O 3.4Å; K100-G104 WeakPolarHBondContact O-CA 3.29Å; K100-G104 PolarHBondContact O-N 3.17Å; K100-S132 PolarHBondContact NZ-OG 3.22Å; K100-F151 PolarHBondContact NZ-O 3.08Å; K100-N152 WeakPolarHBondContact CD-OD1 3.27Å; K100-N152 PolarHBondContact NZ-OD1 3.36Å; K100-E153 HydrophobicContact CB-CG 3.71Å; K100-E153 PolarHBondContact N-OE1 3.41Å; K100-V204 WeakPolarHBondContact O-CG2 3.4Å | ||
| 101 | G | 84.9 | Confident | 94.2 | Very high | 35 Ų | 35 | 23.9 Ų | 23.9 | 36% | 0.361 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | -170.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N99 | N99-G101 PolarHBondContact OD1-N 2.87Š|
| 102 | S | 81.1 | Confident | 94.2 | Very high | 119 Ų | 119 | 25.4 Ų | 25.4 | 83% | 0.832 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -49.1 | -176.7 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 103 | N | 81.4 | Confident | 94 | Very high | 117 Ų | 117 | 32.6 Ų | 32.6 | 63% | 0.626 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | 18.9 | -174.3 | -68.2 | -8.8 | 0 | 0 | 0 | 112.8 | C70 | C70-N103 PolarHBondContact SG-ND2 2.93Š|
| 104 | G | 90.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | trans | -77.2 | 147.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | K100 Q200 | K100-G104 WeakPolarHBondContact CE-O 3.4Å; K100-G104 WeakPolarHBondContact CG-O 3.4Å; K100-G104 WeakPolarHBondContact O-CA 3.29Å; K100-G104 PolarHBondContact O-N 3.17Å; G104-Q200 CarbonylContact C-O 3.58Å; G104-Q200 WeakPolarHBondContact CA-O 3.28Å | ||
| 105 | C | 93.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143.8 | 179 | -153.3 | 0 | 0 | 0 | 0 | 111.1 | F120 Q131 S132 Q200 | C105-F120 HydrophobicContact CB-CZ 3.99Å; C105-Q131 PolarHBondContact SG-NE2 3.43Å; C105-S132 PolarHBondContact SG-OG 2.9Å; C105-Q200 HydrophobicContact CB-CB 4.43Å; C105-Q200 PolarHBondContact N-O 3.02Å; C105-Q200 PolarHBondContact O-N 3.49Å |
| 106 | L | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.1 | 178.9 | -175.8 | 73.8 | 0 | 0 | 0 | 108.8 | I95 L97 V108 Q131 S132 F151 G198 L199 V206 | I95-L106 HydrophobicContact CD1-CD2 3.51Å; L97-L106 HydrophobicContact CB-CD2 4.32Å; L97-L106 HydrophobicContact CD1-CD2 4.11Å; L97-L106 HydrophobicContact CD2-CD2 4.14Å; L97-L106 HydrophobicContact CG-CD2 4.42Å; L106-V108 HydrophobicContact CD2-CG2 4.28Å; L106-V108 HydrophobicContact CG-CG2 4.28Å; L106-Q131 CarbonylContact O-C 3.5Å; L106-Q131 WeakPolarHBondContact O-CA 3.45Å; L106-S132 PolarHBondContact O-N 2.88Å; L106-F151 HydrophobicContact CB-CE2 4.21Å; L106-F151 HydrophobicContact CD2-CE2 3.92Å; L106-F151 HydrophobicContact CG-CE2 4.37Å; L106-G198 WeakPolarHBondContact CA-O 3.41Å; L106-L199 HydrophobicContact CD1-CD2 3.4Å; L106-L199 HydrophobicContact CD1-CG 3.89Å; L106-V206 HydrophobicContact CD1-CB 4.37Å; L106-V206 HydrophobicContact CD1-CG1 4.25Å; L106-V206 HydrophobicContact CD2-CG2 4.24Å |
| 107 | S | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.1 | 168 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | P121 Y130 I197 G198 | S107-P121 PolarHBondContact OG-O 2.85Å; S107-Y130 WeakPolarHBondContact CA-O 3.11Å; S107-Y130 PolarHBondContact OG-O 3.47Å; S107-I197 WeakPolarHBondContact O-CA 3.13Å; S107-G198 PolarHBondContact N-O 2.96Å; S107-G198 PolarHBondContact O-N 3.04Å |
| 108 | V | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.3 | -170.9 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | F93 I95 L106 G129 Y130 I157 C159 F170 I197 | F93-V108 HydrophobicContact CE2-CG1 4.14Å; F93-V108 HydrophobicContact CZ-CG1 4.19Å; I95-V108 HydrophobicContact CD1-CG2 3.65Å; I95-V108 HydrophobicContact CG1-CG1 4.04Å; I95-V108 HydrophobicContact CG1-CG2 3.71Å; I95-V108 HydrophobicContact CG2-CG1 4.42Å; L106-V108 HydrophobicContact CD2-CG2 4.28Å; L106-V108 HydrophobicContact CG-CG2 4.28Å; V108-G129 CarbonylContact O-C 3.59Å; V108-G129 WeakPolarHBondContact O-CA 3.41Å; V108-Y130 PolarHBondContact N-O 3.25Å; V108-Y130 PolarHBondContact O-N 3.26Å; V108-I157 HydrophobicContact CG2-CG2 4.49Å; V108-C159 HydrophobicContact CG1-CB 4.12Å; V108-F170 WeakPolarHBondContact O-CE1 3.47Å; V108-I197 HydrophobicContact CB-CG2 4.47Å; V108-I197 HydrophobicContact CG1-CG2 4.19Å; V108-I197 HydrophobicContact CG2-CG2 4.3Å |
| 109 | G | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | -135.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F128 T196 | G109-F128 CarbonylContact C-O 3.57Å; G109-F128 WeakPolarHBondContact CA-O 3.49Å; G109-T196 CarbonylContact C-O 3.49Å; G109-T196 PolarHBondContact N-O 3.29Å; G109-T196 PolarHBondContact O-N 3Å; G109-T196 VanDerWaalsContact O-O 3.12Å |
| 110 | V | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153.6 | 178.9 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | I84 F128 V161 L168 L193 F194 | I84-V110 HydrophobicContact CD1-CG1 4.17Å; V110-F128 HydrophobicContact CG2-CB 4.34Å; V110-F128 HydrophobicContact CG2-CD2 3.95Å; V110-F128 PolarHBondContact N-O 3.09Å; V110-F128 PolarHBondContact O-N 3.14Å; V110-V161 HydrophobicContact CG1-CG2 3.75Å; V110-L168 HydrophobicContact CG2-CD1 4.1Å; V110-L168 HydrophobicContact CG2-CD2 4.28Å; V110-L193 HydrophobicContact CB-CB 4.46Å; V110-L193 HydrophobicContact CG2-CB 4.49Å; V110-L193 HydrophobicContact CG2-CD1 4.23Å; V110-L193 HydrophobicContact CG2-CD2 4.43Å; V110-F194 WeakPolarHBondContact CA-O 3.31Å; V110-F194 WeakPolarHBondContact CB-O 3.05Å |
| 111 | S | 96 | Very high | 92.8 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 161.1 | 175.3 | 74.4 | 0 | 0 | 0 | 0 | 111.7 | S115 S127 F194 T196 | S111-S115 WeakPolarHBondContact CB-OG 3.39Å; S111-S127 WeakPolarHBondContact CB-OG 3.44Å; S111-F194 PolarHBondContact N-O 3.45Å; S111-F194 PolarHBondContact O-N 2.98Å; S111-T196 WeakPolarHBondContact CB-OG1 3.35Å; S111-T196 PolarHBondContact N-OG1 3.46Å; S111-T196 VanDerWaalsContact N-OG1 3.14Å; S111-T196 PolarHBondContact OG-OG1 2.92Å |
| 112 | M | 94.3 | Very high | 93.2 | Very high | 32 Ų | 32 | 41 Ų | 41 | 16% | 0.158 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 155.8 | 167 | -72.6 | -173 | 166.9 | 0 | 0 | 110.9 | R79 T114 S115 N126 P186 T191 L193 | R79-M112 PolarHBondContact NH1-O 3.46Å; R79-M112 VanDerWaalsContact NH1-O 3.14Å; M112-T114 PolarHBondContact O-N 3.39Å; M112-T114 VanDerWaalsContact O-N 3.1Å; M112-S115 PolarHBondContact N-OG 3.38Å; M112-S115 WeakPolarHBondContact O-CB 3.43Å; M112-S115 PolarHBondContact O-N 3.39Å; M112-S115 PolarHBondContact O-OG 2.94Å; M112-N126 HydrophobicContact CE-CB 3.84Å; M112-N126 WeakPolarHBondContact CE-ND2 3.39Å; M112-N126 HydrophobicContact CG-CB 3.87Å; M112-N126 HydrophobicContact SD-CB 3.51Å; M112-N126 VanDerWaalsContact SD-CB 3.51Å; M112-N126 PolarHBondContact SD-ND2 2.93Å; M112-P186 HydrophobicContact CE-CB 4.4Å; M112-P186 HydrophobicContact CE-CG 3.88Å; M112-T191 HydrophobicContact CE-CG2 4.06Å; M112-L193 HydrophobicContact CG-CD2 3.82Å |
| 113 | K | 93.4 | Very high | 93.7 | Very high | 151 Ų | 151 | 35.9 Ų | 35.9 | 66% | 0.657 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -27.9 | 175.8 | -171.6 | 179.4 | 178.5 | -174.6 | 0 | 113.6 | R79 S115 F194 | R79-K113 PolarHBondContact NH2-O 2.94Å; K113-S115 VanDerWaalsContact C-N 3.3Å; K113-S115 PolarHBondContact O-N 2.87Å; K113-F194 HydrophobicContact CB-CE2 3.93Å; K113-F194 HydrophobicContact CB-CZ 4.47Å |
| 114 | T | 92.4 | Very high | 94.2 | Very high | 131 Ų | 131 | 32.3 Ų | 32.3 | 80% | 0.804 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11 | 177.4 | 45.5 | 0 | 0 | 0 | 0 | 114.8 | M112 | M112-T114 PolarHBondContact O-N 3.39Å; M112-T114 VanDerWaalsContact O-N 3.1Å |
| 115 | S | 92.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 38 Ų | 38 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -74.8 | 146.4 | -176 | -34.5 | 0 | 0 | 0 | 0 | 111.5 | R79 S111 M112 K113 E124 | R79-S115 PolarHBondContact NH1-O 3.48Å; R79-S115 PolarHBondContact NH2-O 2.89Å; S111-S115 WeakPolarHBondContact CB-OG 3.39Å; M112-S115 PolarHBondContact N-OG 3.38Å; M112-S115 WeakPolarHBondContact O-CB 3.43Å; M112-S115 PolarHBondContact O-N 3.39Å; M112-S115 PolarHBondContact O-OG 2.94Å; K113-S115 VanDerWaalsContact C-N 3.3Å; K113-S115 PolarHBondContact O-N 2.87Å; S115-E124 VanDerWaalsContact CA-OE2 3.29Å; S115-E124 WeakPolarHBondContact CA-OE2 3.23Å; S115-E124 WeakPolarHBondContact CB-OE2 3.14Å |
| 116 | S | 93.1 | Very high | 93.9 | Very high | 47 Ų | 47 | 40 Ų | 40 | 33% | 0.329 | 21% | 0.21 | S | C | . | . | trans | -62.1 | 135.4 | 178 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | N118 E124 | S116-N118 VanDerWaalsContact C-N 3.27Å; S116-N118 PolarHBondContact OG-N 3.23Å; S116-E124 WeakPolarHBondContact CB-OE1 3.47Å; S116-E124 PolarHBondContact N-OE2 3.31Å | ||
| 117 | L | 94.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 20% | 0.199 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -7.3 | 174.6 | -68.3 | 167.9 | 0 | 0 | 0 | 113.3 | S44 C77 | S44-L117 WeakPolarHBondContact CB-O 3.49Å; C77-L117 WeakPolarHBondContact CB-O 3.48Å; C77-L117 PolarHBondContact N-O 2.93Å |
| 118 | N | 92.9 | Very high | 93.8 | Very high | 66 Ų | 66 | 40.1 Ų | 40.1 | 35% | 0.353 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 17.4 | 179.6 | -72.8 | 18.6 | 0 | 0 | 0 | 113.2 | S44 E74 A75 S116 | S44-N118 PolarHBondContact OG-OD1 3.32Å; E74-N118 PolarHBondContact OE2-ND2 3.27Å; A75-N118 CarbonylContact O-C 3.55Å; A75-N118 WeakPolarHBondContact O-CA 3.25Å; A75-N118 VanDerWaalsContact O-O 3.13Å; S116-N118 VanDerWaalsContact C-N 3.27Å; S116-N118 PolarHBondContact OG-N 3.23Å |
| 119 | K | 92.7 | Very high | 93.8 | Very high | 96 Ų | 96 | 40.1 Ų | 40.1 | 42% | 0.417 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -136.6 | 140.3 | 177.3 | -57 | 179.6 | -167.1 | 164.6 | 0 | 110.2 | C77 E124 | C77-K119 PolarHBondContact SG-O 3.38Å; K119-E124 HydrophobicContact CD-CG 4.05Å; K119-E124 WeakPolarHBondContact CD-OE1 3.37Å; K119-E124 WeakPolarHBondContact CE-OE1 3.36Å; K119-E124 IonicContact NZ-OE1 3.32Å; K119-E124 PolarHBondContact NZ-OE1 3.03Å |
| 120 | F | 95.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 9% | 0.092 | 21% | 0.211 | C | C | . | . | trans | -55.4 | 147.3 | 179.3 | -72.9 | -67.2 | 0 | 0 | 0 | 112.6 | A75 C105 G122 S123 G198 Q200 | A75-F120 HydrophobicContact CB-CD1 3.97Å; A75-F120 HydrophobicContact CB-CD2 3.68Å; A75-F120 HydrophobicContact CB-CE1 3.97Å; A75-F120 HydrophobicContact CB-CE2 3.68Å; A75-F120 HydrophobicContact CB-CG 3.83Å; A75-F120 HydrophobicContact CB-CZ 3.84Å; C105-F120 HydrophobicContact CB-CZ 3.99Å; F120-G122 PolarHBondContact O-N 3.1Å; F120-S123 PolarHBondContact N-OG 3.19Å; F120-S123 VanDerWaalsContact O-CB 3.23Å; F120-S123 WeakPolarHBondContact O-CB 3.41Å; F120-S123 PolarHBondContact O-N 2.99Å; F120-S123 PolarHBondContact O-OG 3.36Å; F120-G198 WeakPolarHBondContact CE1-O 3.43Å; F120-Q200 HydrophobicContact CE1-CB 4.26Å; F120-Q200 HydrophobicContact CE2-CB 4.36Å; F120-Q200 HydrophobicContact CZ-CB 3.54Å; F120-Q200 HydrophobicContact CZ-CG 4.44Å | ||
| 121 | P | 95.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 134.5 | 166.9 | 22.5 | -31.8 | 0 | 0 | 0 | 110.2 | S107 S127 G129 T196 | S107-P121 PolarHBondContact OG-O 2.85Å; P121-S127 WeakPolarHBondContact CA-OG 3.37Å; P121-G129 WeakPolarHBondContact O-CA 3.4Å; P121-T196 HydrophobicContact CB-CG2 3.95Å; P121-T196 HydrophobicContact CG-CG2 4.19Å |
| 122 | G | 93 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | -19.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | F120 E124 S127 Y137 H138 G139 S140 | F120-G122 PolarHBondContact O-N 3.1Å; G122-E124 PolarHBondContact O-N 3.42Å; G122-S127 PolarHBondContact N-OG 3.25Å; G122-Y137 WeakPolarHBondContact CA-O 3.41Å; G122-Y137 CarbonylContact O-C 3.53Å; G122-H138 CarbonylContact O-C 3.56Å; G122-H138 WeakPolarHBondContact O-CA 3.36Å; G122-H138 PolarHBondContact O-N 2.98Å; G122-G139 PolarHBondContact O-N 3.2Å; G122-G139 VanDerWaalsContact O-N 3.09Å; G122-S140 PolarHBondContact O-N 3.49Å |
| 123 | S | 91.2 | Very high | 93.7 | Very high | 13 Ų | 13 | 42 Ų | 42 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -71.7 | -10.1 | -175.2 | -54.6 | 0 | 0 | 0 | 0 | 115.2 | F120 S140 P141 | F120-S123 PolarHBondContact N-OG 3.19Å; F120-S123 VanDerWaalsContact O-CB 3.23Å; F120-S123 WeakPolarHBondContact O-CB 3.41Å; F120-S123 PolarHBondContact O-N 2.99Å; F120-S123 PolarHBondContact O-OG 3.36Å; S123-S140 CarbonylContact O-C 3.6Å; S123-P141 WeakPolarHBondContact O-CD 3.31Å |
| 124 | E | 92.2 | Very high | 93.8 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -141.4 | 165.1 | -170.1 | -64.6 | -175.9 | 148.9 | 0 | 0 | 111.1 | S115 S116 K119 G122 S127 G139 | S115-E124 VanDerWaalsContact CA-OE2 3.29Å; S115-E124 WeakPolarHBondContact CA-OE2 3.23Å; S115-E124 WeakPolarHBondContact CB-OE2 3.14Å; S116-E124 WeakPolarHBondContact CB-OE1 3.47Å; S116-E124 PolarHBondContact N-OE2 3.31Å; K119-E124 HydrophobicContact CD-CG 4.05Å; K119-E124 WeakPolarHBondContact CD-OE1 3.37Å; K119-E124 WeakPolarHBondContact CE-OE1 3.36Å; K119-E124 IonicContact NZ-OE1 3.32Å; K119-E124 PolarHBondContact NZ-OE1 3.03Å; G122-E124 PolarHBondContact O-N 3.42Å; E124-S127 VanDerWaalsContact O-CB 3.26Å; E124-S127 WeakPolarHBondContact O-CB 3.44Å; E124-S127 PolarHBondContact O-N 2.87Å; E124-S127 VanDerWaalsContact O-N 3.13Å; E124-G139 WeakPolarHBondContact O-CA 3.25Å; E124-G139 PolarHBondContact O-N 3.42Å; E124-G139 VanDerWaalsContact O-N 3.16Å |
| 125 | N | 88.2 | Confident | 94 | Very high | 126 Ų | 126 | 29.4 Ų | 29.4 | 67% | 0.674 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | 142.6 | 178.2 | -66.5 | 30.9 | 0 | 0 | 0 | 110.7 | S127 | N125-S127 PolarHBondContact O-N 2.85Š|
| 126 | N | 89.1 | Confident | 94.2 | Very high | 62 Ų | 62 | 29.3 Ų | 29.3 | 33% | 0.332 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 15.8 | -174.1 | -53.3 | -19.1 | 0 | 0 | 0 | 114.7 | M112 | M112-N126 HydrophobicContact CE-CB 3.84Å; M112-N126 WeakPolarHBondContact CE-ND2 3.39Å; M112-N126 HydrophobicContact CG-CB 3.87Å; M112-N126 HydrophobicContact SD-CB 3.51Å; M112-N126 VanDerWaalsContact SD-CB 3.51Å; M112-N126 PolarHBondContact SD-ND2 2.93Å |
| 127 | S | 94.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | trans | -109 | 141.2 | 167.6 | -167.1 | 0 | 0 | 0 | 0 | 108.8 | S111 P121 G122 E124 N125 H138 | S111-S127 WeakPolarHBondContact CB-OG 3.44Å; P121-S127 WeakPolarHBondContact CA-OG 3.37Å; G122-S127 PolarHBondContact N-OG 3.25Å; E124-S127 VanDerWaalsContact O-CB 3.26Å; E124-S127 WeakPolarHBondContact O-CB 3.44Å; E124-S127 PolarHBondContact O-N 2.87Å; E124-S127 VanDerWaalsContact O-N 3.13Å; N125-S127 PolarHBondContact O-N 2.85Å; S127-H138 PolarHBondContact O-ND1 3.39Å | ||
| 128 | F | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 132 | -174.1 | -55.7 | -95.3 | 0 | 0 | 0 | 108.7 | G109 V110 H138 L168 F181 K184 | G109-F128 CarbonylContact C-O 3.57Å; G109-F128 WeakPolarHBondContact CA-O 3.49Å; V110-F128 HydrophobicContact CG2-CB 4.34Å; V110-F128 HydrophobicContact CG2-CD2 3.95Å; V110-F128 PolarHBondContact N-O 3.09Å; V110-F128 PolarHBondContact O-N 3.14Å; F128-H138 HydrophobicContact CD1-CB 4.08Å; F128-H138 AromaticContact CD1-CE1 3.92Å; F128-H138 AromaticContact CD1-CG 3.76Å; F128-H138 AromaticContact CD1-ND1 3.3Å; F128-H138 VanDerWaalsContact CD1-ND1 3.3Å; F128-H138 WeakPolarHBondContact CD1-ND1 3.48Å; F128-H138 AromaticContact CE1-CE1 3.27Å; F128-H138 WeakPolarHBondContact CE1-CE1 3.47Å; F128-H138 AromaticContact CE1-CG 3.75Å; F128-H138 AromaticContact CE1-ND1 3.16Å; F128-H138 WeakPolarHBondContact CE1-ND1 3.49Å; F128-H138 AromaticContact CE1-NE2 3.92Å; F128-H138 AromaticContact CG-ND1 3.9Å; F128-H138 AromaticContact CZ-CE1 3.42Å; F128-H138 VanDerWaalsContact CZ-CE1 3.42Å; F128-H138 WeakPolarHBondContact CZ-CE1 3.44Å; F128-H138 AromaticContact CZ-ND1 3.64Å; F128-L168 HydrophobicContact CB-CD2 3.92Å; F128-F181 HydrophobicContact CB-CD2 4.1Å; F128-F181 HydrophobicContact CB-CE2 3.84Å; F128-F181 HydrophobicContact CB-CZ 4.37Å; F128-F181 HydrophobicContact CD1-CB 3.94Å; F128-F181 AromaticContact CD1-CD1 3.97Å; F128-F181 HydrophobicContact CD1-CD1 3.97Å; F128-F181 AromaticContact CD1-CD2 3.65Å; F128-F181 HydrophobicContact CD1-CD2 3.65Å; F128-F181 HydrophobicContact CD1-CE1 4.33Å; F128-F181 HydrophobicContact CD1-CE2 4.03Å; F128-F181 AromaticContact CD1-CG 3.59Å; F128-F181 HydrophobicContact CD1-CG 3.59Å; F128-F181 HydrophobicContact CD1-CZ 4.32Å; F128-F181 HydrophobicContact CE1-CB 4.03Å; F128-F181 HydrophobicContact CE1-CD1 4.47Å; F128-F181 HydrophobicContact CE1-CG 4.14Å; F128-F181 HydrophobicContact CG-CD2 4.3Å; F128-F181 HydrophobicContact CG-CE2 4.44Å; F128-K184 HydrophobicContact CE1-CB 4.3Å; F128-K184 WeakPolarHBondContact CZ-O 3.43Å |
| 129 | G | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 152.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V108 P121 V136 Y137 | V108-G129 CarbonylContact O-C 3.59Å; V108-G129 WeakPolarHBondContact O-CA 3.41Å; P121-G129 WeakPolarHBondContact O-CA 3.4Å; G129-V136 CarbonylContact O-C 3.55Å; G129-V136 VanDerWaalsContact O-CA 3.24Å; G129-V136 WeakPolarHBondContact O-CA 3.49Å; G129-Y137 PolarHBondContact N-O 3.47Å; G129-Y137 VanDerWaalsContact N-O 3.07Å; G129-Y137 PolarHBondContact O-N 3.43Å |
| 130 | Y | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.5 | 170.5 | 177.1 | -130.6 | 0 | 0 | 0 | 109.3 | S107 V108 C135 V136 F147 G148 P149 F151 I157 F170 L177 | S107-Y130 WeakPolarHBondContact CA-O 3.11Å; S107-Y130 PolarHBondContact OG-O 3.47Å; V108-Y130 PolarHBondContact N-O 3.25Å; V108-Y130 PolarHBondContact O-N 3.26Å; Y130-C135 WeakPolarHBondContact CD2-O 3.37Å; Y130-V136 HydrophobicContact CD2-CG1 3.66Å; Y130-V136 HydrophobicContact CG-CG1 4.23Å; Y130-F147 HydrophobicContact CD2-CD1 4.07Å; Y130-F147 AromaticContact CE2-CD1 3.97Å; Y130-F147 HydrophobicContact CE2-CD1 3.97Å; Y130-G148 WeakPolarHBondContact OH-CA 3.34Å; Y130-P149 PolarHBondContact OH-O 3.48Å; Y130-F151 HydrophobicContact CD1-CD1 4.35Å; Y130-F151 AromaticContact CD1-CE1 3.7Å; Y130-F151 HydrophobicContact CD1-CE1 3.7Å; Y130-F151 AromaticContact CE1-CD1 3.67Å; Y130-F151 HydrophobicContact CE1-CD1 3.67Å; Y130-F151 AromaticContact CE1-CE1 3.48Å; Y130-F151 HydrophobicContact CE1-CE1 3.48Å; Y130-F151 VanDerWaalsContact CE1-CE1 3.48Å; Y130-F151 HydrophobicContact CG-CE1 4.36Å; Y130-F151 AromaticContact CZ-CE1 3.99Å; Y130-I157 HydrophobicContact CD1-CG2 4.09Å; Y130-I157 HydrophobicContact CE1-CG2 4.39Å; Y130-F170 VanDerWaalsContact CB-CZ 3.5Å; Y130-F170 HydrophobicContact CD1-CB 4.15Å; Y130-F170 HydrophobicContact CD1-CD1 4.09Å; Y130-F170 HydrophobicContact CD1-CG 4.02Å; Y130-F170 HydrophobicContact CG-CD1 4.25Å; Y130-F170 HydrophobicContact CG-CD2 4.26Å; Y130-F170 HydrophobicContact CG-CG 4.12Å; Y130-L177 HydrophobicContact CE1-CD1 3.98Å |
| 131 | Q | 96.4 | Very high | 93.3 | Very high | 22 Ų | 22 | 27 Ų | 27 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 153.5 | -168.5 | -174.5 | 165.3 | -27.1 | 0 | 0 | 111.9 | C105 L106 D133 G134 C135 Y137 F151 | C105-Q131 PolarHBondContact SG-NE2 3.43Å; L106-Q131 CarbonylContact O-C 3.5Å; L106-Q131 WeakPolarHBondContact O-CA 3.45Å; Q131-D133 WeakPolarHBondContact CB-OD1 3.46Å; Q131-D133 PolarHBondContact O-N 3.03Å; Q131-G134 PolarHBondContact O-N 3.38Å; Q131-C135 PolarHBondContact N-O 3.08Å; Q131-Y137 HydrophobicContact CB-CD2 4.07Å; Q131-Y137 HydrophobicContact CB-CE2 3.78Å; Q131-Y137 HydrophobicContact CG-CE2 4.36Å; Q131-F151 WeakPolarHBondContact O-CE1 3.36Å |
| 132 | S | 95.7 | Very high | 92.9 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -2.9 | -172.8 | 70.9 | 0 | 0 | 0 | 0 | 115.7 | K100 C105 L106 F151 | K100-S132 PolarHBondContact NZ-OG 3.22Å; C105-S132 PolarHBondContact SG-OG 2.9Å; L106-S132 PolarHBondContact O-N 2.88Å; S132-F151 VanDerWaalsContact CA-CZ 3.42Å; S132-F151 VanDerWaalsContact CB-CE2 3.48Å |
| 133 | D | 93.9 | Very high | 92.7 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 24% | 0.235 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -11 | 172.8 | 77.9 | -41.1 | 0 | 0 | 0 | 113.6 | Q131 C135 R150 | Q131-D133 WeakPolarHBondContact CB-OD1 3.46Å; Q131-D133 PolarHBondContact O-N 3.03Å; D133-C135 PolarHBondContact OD1-N 3.4Å; D133-C135 WeakPolarHBondContact OD2-CB 3.46Å; D133-C135 PolarHBondContact OD2-SG 2.96Å; D133-R150 WeakPolarHBondContact O-CG 3.44Å; D133-R150 PolarHBondContact O-NE 3.3Å |
| 134 | G | 95.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 99 | 4.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q131 F147 G148 | Q131-G134 PolarHBondContact O-N 3.38Å; G134-F147 PolarHBondContact O-N 2.94Å; G134-G148 VanDerWaalsContact CA-O 3.26Å; G134-G148 WeakPolarHBondContact CA-O 3.48Å; G134-G148 PolarHBondContact O-N 3.08Å |
| 135 | C | 96.9 | Very high | 92.9 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 152.7 | -177.6 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | Y130 Q131 D133 Y137 T145 | Y130-C135 WeakPolarHBondContact CD2-O 3.37Å; Q131-C135 PolarHBondContact N-O 3.08Å; D133-C135 PolarHBondContact OD1-N 3.4Å; D133-C135 WeakPolarHBondContact OD2-CB 3.46Å; D133-C135 PolarHBondContact OD2-SG 2.96Å; C135-Y137 HydrophobicContact CB-CD2 4.45Å; C135-Y137 HydrophobicContact CB-CE2 3.76Å; C135-T145 CarbonylContact C-O 3.54Å; C135-T145 VanDerWaalsContact CA-O 3.29Å; C135-T145 WeakPolarHBondContact CA-O 3.47Å |
| 136 | V | 97 | Very high | 93.2 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 145.2 | 169.2 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | G129 Y130 S144 T145 F147 F170 A180 F181 | G129-V136 CarbonylContact O-C 3.55Å; G129-V136 VanDerWaalsContact O-CA 3.24Å; G129-V136 WeakPolarHBondContact O-CA 3.49Å; Y130-V136 HydrophobicContact CD2-CG1 3.66Å; Y130-V136 HydrophobicContact CG-CG1 4.23Å; V136-S144 WeakPolarHBondContact O-CA 3.4Å; V136-T145 PolarHBondContact N-O 3.03Å; V136-T145 PolarHBondContact O-N 3.31Å; V136-F147 HydrophobicContact CB-CB 4.33Å; V136-F147 HydrophobicContact CG1-CB 3.7Å; V136-F147 HydrophobicContact CG1-CD1 3.71Å; V136-F147 HydrophobicContact CG1-CD2 4.44Å; V136-F147 HydrophobicContact CG1-CG 3.69Å; V136-F147 HydrophobicContact CG2-CB 3.87Å; V136-F147 HydrophobicContact CG2-CG 4.35Å; V136-F170 HydrophobicContact CG1-CD2 4.41Å; V136-F170 HydrophobicContact CG1-CE2 4.03Å; V136-A180 HydrophobicContact CG1-CB 4.5Å; V136-F181 HydrophobicContact CB-CE1 4.28Å; V136-F181 HydrophobicContact CB-CE2 4.16Å; V136-F181 HydrophobicContact CB-CZ 3.62Å; V136-F181 HydrophobicContact CG1-CZ 4.47Å; V136-F181 HydrophobicContact CG2-CE1 4.17Å; V136-F181 HydrophobicContact CG2-CZ 3.99Å |
| 137 | Y | 96.1 | Very high | 93.5 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 12% | 0.122 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140 | -172.6 | -68.8 | -104.5 | 0 | 0 | 0 | 110.5 | G122 G129 Q131 C135 S144 F181 | G122-Y137 WeakPolarHBondContact CA-O 3.41Å; G122-Y137 CarbonylContact O-C 3.53Å; G129-Y137 PolarHBondContact N-O 3.47Å; G129-Y137 VanDerWaalsContact N-O 3.07Å; G129-Y137 PolarHBondContact O-N 3.43Å; Q131-Y137 HydrophobicContact CB-CD2 4.07Å; Q131-Y137 HydrophobicContact CB-CE2 3.78Å; Q131-Y137 HydrophobicContact CG-CE2 4.36Å; C135-Y137 HydrophobicContact CB-CD2 4.45Å; C135-Y137 HydrophobicContact CB-CE2 3.76Å; Y137-S144 VanDerWaalsContact CE1-CB 3.42Å; Y137-F181 VanDerWaalsContact O-CZ 3.22Å; Y137-F181 WeakPolarHBondContact O-CZ 3.2Å |
| 138 | H | 93.1 | Very high | 93.6 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 25% | 0.25 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 134.6 | 174.4 | 170 | 67 | 0 | 0 | 0 | 111.2 | G122 S127 F128 S140 F181 | G122-H138 CarbonylContact O-C 3.56Å; G122-H138 WeakPolarHBondContact O-CA 3.36Å; G122-H138 PolarHBondContact O-N 2.98Å; S127-H138 PolarHBondContact O-ND1 3.39Å; F128-H138 HydrophobicContact CD1-CB 4.08Å; F128-H138 AromaticContact CD1-CE1 3.92Å; F128-H138 AromaticContact CD1-CG 3.76Å; F128-H138 AromaticContact CD1-ND1 3.3Å; F128-H138 VanDerWaalsContact CD1-ND1 3.3Å; F128-H138 WeakPolarHBondContact CD1-ND1 3.48Å; F128-H138 AromaticContact CE1-CE1 3.27Å; F128-H138 WeakPolarHBondContact CE1-CE1 3.47Å; F128-H138 AromaticContact CE1-CG 3.75Å; F128-H138 AromaticContact CE1-ND1 3.16Å; F128-H138 WeakPolarHBondContact CE1-ND1 3.49Å; F128-H138 AromaticContact CE1-NE2 3.92Å; F128-H138 AromaticContact CG-ND1 3.9Å; F128-H138 AromaticContact CZ-CE1 3.42Å; F128-H138 VanDerWaalsContact CZ-CE1 3.42Å; F128-H138 WeakPolarHBondContact CZ-CE1 3.44Å; F128-H138 AromaticContact CZ-ND1 3.64Å; H138-S140 PolarHBondContact O-N 2.9Å; H138-S140 VanDerWaalsContact O-N 3.1Å; H138-F181 HydrophobicContact CB-CD1 3.91Å; H138-F181 HydrophobicContact CB-CE1 3.39Å; H138-F181 HydrophobicContact CB-CZ 4Å |
| 139 | G | 88.4 | Confident | 93.6 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 71.3 | -4.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G122 E124 | G122-G139 PolarHBondContact O-N 3.2Å; G122-G139 VanDerWaalsContact O-N 3.09Å; E124-G139 WeakPolarHBondContact O-CA 3.25Å; E124-G139 PolarHBondContact O-N 3.42Å; E124-G139 VanDerWaalsContact O-N 3.16Å |
| 140 | S | 88 | Confident | 93.6 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | trans | -164.1 | 142.4 | -176.8 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | G122 S123 H138 T142 L143 | G122-S140 PolarHBondContact O-N 3.49Å; S123-S140 CarbonylContact O-C 3.6Å; H138-S140 PolarHBondContact O-N 2.9Å; H138-S140 VanDerWaalsContact O-N 3.1Å; S140-T142 VanDerWaalsContact C-N 3.27Å; S140-T142 PolarHBondContact O-N 3.41Å; S140-T142 PolarHBondContact OG-N 3.36Å; S140-T142 PolarHBondContact OG-OG1 3.22Å; S140-T142 VanDerWaalsContact OG-OG1 3.06Å; S140-L143 PolarHBondContact OG-N 3.11Å | ||
| 141 | P | 83.7 | Confident | 93.5 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 53% | 0.526 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -75.9 | -13.2 | 172.7 | 32.7 | -34.7 | 0 | 0 | 0 | 113.2 | S123 | S123-P141 WeakPolarHBondContact O-CD 3.31Š|
| 142 | T | 86.8 | Confident | 93.4 | Very high | 123 Ų | 123 | 59.4 Ų | 59.4 | 76% | 0.755 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -108.2 | -23.6 | -176.5 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | S140 S144 | S140-T142 VanDerWaalsContact C-N 3.27Å; S140-T142 PolarHBondContact O-N 3.41Å; S140-T142 PolarHBondContact OG-N 3.36Å; S140-T142 PolarHBondContact OG-OG1 3.22Å; S140-T142 VanDerWaalsContact OG-OG1 3.06Å; T142-S144 PolarHBondContact O-N 3.15Å |
| 143 | L | 88.7 | Confident | 93.5 | Very high | 122 Ų | 122 | 63.1 Ų | 63.1 | 64% | 0.639 | 34% | 0.339 | S | S | * | . | trans | -89.2 | 89.1 | -179.8 | -173.4 | 63.7 | 0 | 0 | 0 | 110.4 | S140 | S140-L143 PolarHBondContact OG-N 3.11Š| ||
| 144 | S | 92.4 | Very high | 93.6 | Very high | 47 Ų | 47 | 67 Ų | 67 | 33% | 0.329 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 152.2 | 175.7 | 85.4 | 0 | 0 | 0 | 0 | 112.3 | V136 Y137 T142 | V136-S144 WeakPolarHBondContact O-CA 3.4Å; Y137-S144 VanDerWaalsContact CE1-CB 3.42Å; T142-S144 PolarHBondContact O-N 3.15Å |
| 145 | T | 94.3 | Very high | 93.7 | Very high | 90 Ų | 90 | 67.5 Ų | 67.5 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.6 | 172.2 | -61.6 | 0 | 0 | 0 | 0 | 108.9 | C135 V136 F147 | C135-T145 CarbonylContact C-O 3.54Å; C135-T145 VanDerWaalsContact CA-O 3.29Å; C135-T145 WeakPolarHBondContact CA-O 3.47Å; V136-T145 PolarHBondContact N-O 3.03Å; V136-T145 PolarHBondContact O-N 3.31Å; T145-F147 PolarHBondContact O-N 2.8Å |
| 146 | K | 95.2 | Very high | 93.7 | Very high | 188 Ų | 188 | 68.3 Ų | 68.3 | 82% | 0.817 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 124.5 | 173.3 | -174.1 | -179 | 179.8 | -175.6 | 0 | 109.4 | ||
| 147 | F | 96 | Very high | 93.8 | Very high | 56 Ų | 56 | 68 Ų | 68 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | trans | -132.3 | -51 | -170.7 | 169.3 | -95.3 | 0 | 0 | 0 | 112.5 | Y130 G134 V136 T145 F170 L177 A180 | Y130-F147 HydrophobicContact CD2-CD1 4.07Å; Y130-F147 AromaticContact CE2-CD1 3.97Å; Y130-F147 HydrophobicContact CE2-CD1 3.97Å; G134-F147 PolarHBondContact O-N 2.94Å; V136-F147 HydrophobicContact CB-CB 4.33Å; V136-F147 HydrophobicContact CG1-CB 3.7Å; V136-F147 HydrophobicContact CG1-CD1 3.71Å; V136-F147 HydrophobicContact CG1-CD2 4.44Å; V136-F147 HydrophobicContact CG1-CG 3.69Å; V136-F147 HydrophobicContact CG2-CB 3.87Å; V136-F147 HydrophobicContact CG2-CG 4.35Å; T145-F147 PolarHBondContact O-N 2.8Å; F147-F170 HydrophobicContact CD1-CD2 4.44Å; F147-F170 HydrophobicContact CE1-CB 4.09Å; F147-F170 AromaticContact CE1-CD2 3.8Å; F147-F170 HydrophobicContact CE1-CD2 3.8Å; F147-F170 HydrophobicContact CE1-CG 4.39Å; F147-F170 HydrophobicContact CZ-CD2 4.2Å; F147-L177 HydrophobicContact CE1-CB 3.82Å; F147-L177 HydrophobicContact CE1-CD1 4.42Å; F147-L177 HydrophobicContact CZ-CB 4.08Å; F147-A180 HydrophobicContact CD2-CB 4.25Å; F147-A180 HydrophobicContact CE2-CB 3.82Å; F147-A180 HydrophobicContact CZ-CB 4.09Å | ||
| 148 | G | 95.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 66.5 Ų | 66.5 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -132.8 | 176.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y130 G134 | Y130-G148 WeakPolarHBondContact OH-CA 3.34Å; G134-G148 VanDerWaalsContact CA-O 3.26Å; G134-G148 WeakPolarHBondContact CA-O 3.48Å; G134-G148 PolarHBondContact O-N 3.08Å |
| 149 | P | 96.7 | Very high | 94.1 | Very high | 60 Ų | 60 | 63.9 Ų | 63.9 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | trans | -81 | 130.9 | 178.6 | 33 | -34.2 | 0 | 0 | 0 | 111.7 | Y130 F151 R172 L177 | Y130-P149 PolarHBondContact OH-O 3.48Å; P149-F151 PolarHBondContact O-N 2.85Å; P149-R172 PolarHBondContact O-NH1 3.47Å; P149-L177 HydrophobicContact CG-CD2 4.08Å | ||
| 150 | R | 96.9 | Very high | 94.6 | Very high | 169 Ų | 169 | 62.6 Ų | 62.6 | 64% | 0.638 | 33% | 0.331 | S | S | * | . | trans | -42.8 | 133.1 | 173.7 | -78.9 | 178.7 | 176.6 | -172.6 | -3.3 | 113.2 | D133 R172 | D133-R150 WeakPolarHBondContact O-CG 3.44Å; D133-R150 PolarHBondContact O-NE 3.3Å; R150-R172 VanDerWaalsContact O-CZ 3.32Å; R150-R172 PolarHBondContact O-NH1 2.88Å; R150-R172 PolarHBondContact O-NH2 2.86Å | ||
| 151 | F | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -119.2 | 147.6 | -178.9 | 60.6 | -98.6 | 0 | 0 | 0 | 113 | L97 K100 L106 Y130 Q131 S132 P149 D155 I157 | L97-F151 HydrophobicContact CD2-CD2 4.21Å; K100-F151 PolarHBondContact NZ-O 3.08Å; L106-F151 HydrophobicContact CB-CE2 4.21Å; L106-F151 HydrophobicContact CD2-CE2 3.92Å; L106-F151 HydrophobicContact CG-CE2 4.37Å; Y130-F151 HydrophobicContact CD1-CD1 4.35Å; Y130-F151 AromaticContact CD1-CE1 3.7Å; Y130-F151 HydrophobicContact CD1-CE1 3.7Å; Y130-F151 AromaticContact CE1-CD1 3.67Å; Y130-F151 HydrophobicContact CE1-CD1 3.67Å; Y130-F151 AromaticContact CE1-CE1 3.48Å; Y130-F151 HydrophobicContact CE1-CE1 3.48Å; Y130-F151 VanDerWaalsContact CE1-CE1 3.48Å; Y130-F151 HydrophobicContact CG-CE1 4.36Å; Y130-F151 AromaticContact CZ-CE1 3.99Å; Q131-F151 WeakPolarHBondContact O-CE1 3.36Å; S132-F151 VanDerWaalsContact CA-CZ 3.42Å; S132-F151 VanDerWaalsContact CB-CE2 3.48Å; P149-F151 PolarHBondContact O-N 2.85Å; F151-D155 VanDerWaalsContact CA-OD2 3.25Å; F151-D155 WeakPolarHBondContact CA-OD2 3.33Å; F151-D155 HydrophobicContact CB-CB 3.95Å; F151-D155 WeakPolarHBondContact CB-OD2 3.39Å; F151-I157 HydrophobicContact CB-CD1 3.73Å; F151-I157 HydrophobicContact CB-CG1 4.16Å; F151-I157 HydrophobicContact CD1-CD1 3.73Å; F151-I157 HydrophobicContact CD1-CG1 3.94Å; F151-I157 HydrophobicContact CD2-CD1 4.34Å; F151-I157 HydrophobicContact CD2-CG1 3.87Å; F151-I157 HydrophobicContact CE1-CD1 4.39Å; F151-I157 HydrophobicContact CE1-CG1 4.24Å; F151-I157 HydrophobicContact CE2-CG1 4.19Å; F151-I157 HydrophobicContact CG-CD1 3.69Å; F151-I157 HydrophobicContact CG-CG1 3.74Å; F151-I157 HydrophobicContact CZ-CG1 4.35Å | ||
| 152 | N | 95.4 | Very high | 95.5 | Very high | 84 Ų | 84 | 57.5 Ų | 57.5 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | trans | -137.9 | -165.5 | -170.5 | -69.3 | -40.4 | 0 | 0 | 0 | 110.4 | L97 K100 D155 | L97-N152 WeakPolarHBondContact CD2-O 3.42Å; K100-N152 WeakPolarHBondContact CD-OD1 3.27Å; K100-N152 PolarHBondContact NZ-OD1 3.36Å; N152-D155 PolarHBondContact N-OD2 3.14Å; N152-D155 WeakPolarHBondContact O-CB 3.4Å; N152-D155 PolarHBondContact O-N 3.49Å | ||
| 153 | E | 95.9 | Very high | 95.6 | Very high | 83 Ų | 83 | 52.3 Ų | 52.3 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 140.6 | 178.8 | -56.2 | -173.8 | 152.6 | 0 | 0 | 112.1 | L97 N99 K100 D155 | L97-E153 CarbonylContact O-C 3.52Å; L97-E153 WeakPolarHBondContact O-CA 3.26Å; N99-E153 VanDerWaalsContact CA-OE1 3.28Å; N99-E153 WeakPolarHBondContact CA-OE1 3.49Å; N99-E153 PolarHBondContact ND2-OE1 3.27Å; K100-E153 HydrophobicContact CB-CG 3.71Å; K100-E153 PolarHBondContact N-OE1 3.41Å; E153-D155 PolarHBondContact O-N 2.92Å |
| 154 | N | 96.1 | Very high | 95.5 | Very high | 127 Ų | 127 | 51.9 Ų | 51.9 | 68% | 0.679 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | -0.8 | -174.6 | -47.2 | -67.3 | 0 | 0 | 0 | 116.5 | L97 | L97-N154 PolarHBondContact O-N 3Š|
| 155 | D | 97.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.064 | 26% | 0.256 | C | S | . | . | trans | -69.1 | 138.9 | 167.4 | -77 | -58 | 0 | 0 | 0 | 111.4 | T96 L97 F151 N152 E153 R172 N173 | T96-D155 WeakPolarHBondContact CA-O 3.36Å; L97-D155 PolarHBondContact N-O 3.22Å; L97-D155 VanDerWaalsContact N-O 3.09Å; F151-D155 VanDerWaalsContact CA-OD2 3.25Å; F151-D155 WeakPolarHBondContact CA-OD2 3.33Å; F151-D155 HydrophobicContact CB-CB 3.95Å; F151-D155 WeakPolarHBondContact CB-OD2 3.39Å; N152-D155 PolarHBondContact N-OD2 3.14Å; N152-D155 WeakPolarHBondContact O-CB 3.4Å; N152-D155 PolarHBondContact O-N 3.49Å; E153-D155 PolarHBondContact O-N 2.92Å; D155-R172 VanDerWaalsContact CG-NE 3.33Å; D155-R172 IonicContact OD1-CZ 3.65Å; D155-R172 IonicContact OD1-NE 2.83Å; D155-R172 PolarHBondContact OD1-NE 2.79Å; D155-R172 IonicContact OD1-NH2 3.17Å; D155-R172 PolarHBondContact OD1-NH2 2.89Å; D155-R172 IonicContact OD2-CZ 2.75Å; D155-R172 IonicContact OD2-NE 2.68Å; D155-R172 IonicContact OD2-NH2 2.94Å; D155-R172 PolarHBondContact OD2-NH2 3.48Å; D155-N173 PolarHBondContact OD1-ND2 2.8Å | ||
| 156 | I | 98.3 | Very high | 95.3 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 17% | 0.169 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.9 | 168.5 | -56.6 | 174.6 | 0 | 0 | 0 | 107.8 | E94 I95 T96 R172 N173 Y216 | E94-I156 HydrophobicContact CB-CG2 4.1Å; E94-I156 HydrophobicContact CG-CG2 4.33Å; I95-I156 CarbonylContact O-C 3.56Å; I95-I156 VanDerWaalsContact O-CA 3.32Å; I95-I156 WeakPolarHBondContact O-CA 3.48Å; T96-I156 HydrophobicContact CG2-CG1 4.02Å; I156-R172 CarbonylContact O-C 3.26Å; I156-R172 VanDerWaalsContact O-CA 3.32Å; I156-R172 WeakPolarHBondContact O-CA 3.43Å; I156-N173 PolarHBondContact N-OD1 3.49Å; I156-N173 PolarHBondContact O-N 3.21Å; I156-N173 PolarHBondContact O-OD1 3.22Å; I156-Y216 HydrophobicContact CD1-CD2 3.6Å; I156-Y216 HydrophobicContact CD1-CE2 4.34Å; I156-Y216 HydrophobicContact CD1-CG 4Å |
| 157 | I | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121 | 177.4 | -57.3 | -60.7 | 0 | 0 | 0 | 109.4 | I95 V108 Y130 F151 T171 R172 | I95-I157 HydrophobicContact CD1-CB 4.15Å; I95-I157 HydrophobicContact CG1-CB 4.07Å; I95-I157 WeakPolarHBondContact CG1-O 3.41Å; I95-I157 PolarHBondContact N-O 3.28Å; I95-I157 PolarHBondContact O-N 3.38Å; V108-I157 HydrophobicContact CG2-CG2 4.49Å; Y130-I157 HydrophobicContact CD1-CG2 4.09Å; Y130-I157 HydrophobicContact CE1-CG2 4.39Å; F151-I157 HydrophobicContact CB-CD1 3.73Å; F151-I157 HydrophobicContact CB-CG1 4.16Å; F151-I157 HydrophobicContact CD1-CD1 3.73Å; F151-I157 HydrophobicContact CD1-CG1 3.94Å; F151-I157 HydrophobicContact CD2-CD1 4.34Å; F151-I157 HydrophobicContact CD2-CG1 3.87Å; F151-I157 HydrophobicContact CE1-CD1 4.39Å; F151-I157 HydrophobicContact CE1-CG1 4.24Å; F151-I157 HydrophobicContact CE2-CG1 4.19Å; F151-I157 HydrophobicContact CG-CD1 3.69Å; F151-I157 HydrophobicContact CG-CG1 3.74Å; F151-I157 HydrophobicContact CZ-CG1 4.35Å; I157-T171 WeakPolarHBondContact CA-O 3.46Å; I157-R172 HydrophobicContact CD1-CB 3.79Å; I157-R172 HydrophobicContact CD1-CG 3.76Å |
| 158 | G | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 147.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y92 F93 F170 T171 | Y92-G158 WeakPolarHBondContact OH-CA 3.3Å; F93-G158 CarbonylContact O-C 3.55Å; F93-G158 WeakPolarHBondContact O-CA 3.39Å; G158-F170 VanDerWaalsContact O-CA 3.25Å; G158-F170 WeakPolarHBondContact O-CA 3.45Å; G158-T171 WeakPolarHBondContact CA-OG1 3.31Å; G158-T171 PolarHBondContact N-O 3.08Å; G158-T171 VanDerWaalsContact N-O 3.1Å; G158-T171 PolarHBondContact N-OG1 2.96Å; G158-T171 VanDerWaalsContact N-OG1 3.08Å; G158-T171 PolarHBondContact O-N 3.04Å |
| 159 | C | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 114.3 | 170.4 | 176.2 | 0 | 0 | 0 | 0 | 109 | Y92 F93 V108 F170 | Y92-C159 WeakPolarHBondContact CA-O 3.48Å; F93-C159 HydrophobicContact CD1-CB 4.12Å; F93-C159 WeakPolarHBondContact CD1-O 3.29Å; F93-C159 HydrophobicContact CE1-CB 3.55Å; F93-C159 HydrophobicContact CE2-CB 4.35Å; F93-C159 HydrophobicContact CZ-CB 3.68Å; F93-C159 PolarHBondContact N-O 3.35Å; F93-C159 VanDerWaalsContact N-O 3.11Å; F93-C159 PolarHBondContact O-N 2.96Å; V108-C159 HydrophobicContact CG1-CB 4.12Å; C159-F170 HydrophobicContact CB-CD1 4.07Å; C159-F170 HydrophobicContact CB-CE1 3.98Å |
| 160 | G | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 146.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y91 L168 F169 | Y91-G160 CarbonylContact O-C 3.55Å; Y91-G160 VanDerWaalsContact O-CA 3.25Å; Y91-G160 WeakPolarHBondContact O-CA 3.33Å; G160-L168 CarbonylContact O-C 3.59Å; G160-L168 WeakPolarHBondContact O-CA 3.21Å; G160-L168 WeakPolarHBondContact O-CG 3.35Å; G160-F169 PolarHBondContact N-O 3.37Å; G160-F169 PolarHBondContact O-N 3.16Å |
| 161 | V | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 111.9 | 177.1 | -176 | 0 | 0 | 0 | 0 | 107.8 | I84 I90 Y91 V110 F163 L168 V185 | I84-V161 HydrophobicContact CD1-CB 4.12Å; I84-V161 HydrophobicContact CD1-CG1 4.42Å; I84-V161 HydrophobicContact CD1-CG2 3.72Å; I90-V161 CarbonylContact C-O 3.59Å; I90-V161 VanDerWaalsContact CA-O 3.29Å; I90-V161 WeakPolarHBondContact CA-O 3.03Å; Y91-V161 PolarHBondContact N-O 3.25Å; Y91-V161 PolarHBondContact O-N 3.39Å; V110-V161 HydrophobicContact CG1-CG2 3.75Å; V161-F163 HydrophobicContact CG1-CD1 4.1Å; V161-F163 HydrophobicContact CG1-CE1 3.65Å; V161-F163 HydrophobicContact CG1-CE2 4.26Å; V161-F163 HydrophobicContact CG1-CZ 3.74Å; V161-L168 HydrophobicContact CG1-CD1 4.37Å; V161-L168 HydrophobicContact CG2-CD1 4.21Å; V161-L168 HydrophobicContact CG2-CG 4.23Å; V161-V185 HydrophobicContact CG1-CG1 4.35Å |
| 162 | D | 93.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 98.8 | -179.8 | 179.2 | -18.5 | 0 | 0 | 0 | 108.4 | I90 L164 S165 Q166 S167 K179 R230 | I90-D162 HydrophobicContact CD1-CB 4.42Å; I90-D162 HydrophobicContact CG1-CB 4.08Å; I90-D162 HydrophobicContact CG2-CB 4.27Å; D162-L164 PolarHBondContact O-N 3.39Å; D162-L164 WeakPolarHBondContact OD1-CA 3.49Å; D162-L164 WeakPolarHBondContact OD1-CB 3.17Å; D162-L164 PolarHBondContact OD1-N 3.08Å; D162-S165 PolarHBondContact OD1-N 3.32Å; D162-S165 PolarHBondContact OD1-OG 3.44Å; D162-S165 PolarHBondContact OD2-OG 2.86Å; D162-Q166 WeakPolarHBondContact O-CA 3.46Å; D162-Q166 PolarHBondContact O-N 2.77Å; D162-S167 PolarHBondContact N-O 2.98Å; D162-S167 PolarHBondContact O-N 2.75Å; D162-K179 IonicContact OD2-NZ 2.62Å; D162-K179 PolarHBondContact OD2-NZ 2.95Å; D162-R230 IonicContact OD1-NH2 2.64Å; D162-R230 PolarHBondContact OD1-NH2 2.6Å; D162-R230 IonicContact OD2-CZ 3.06Å; D162-R230 IonicContact OD2-NH2 3.48Å; D162-R230 PolarHBondContact OD2-NH2 2.89Å |
| 163 | F | 90.7 | Very high | 95.8 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22.8 | 178.3 | -61 | -65.2 | 0 | 0 | 0 | 112.1 | I84 L86 G89 V161 Q166 V185 V187 L193 | I84-F163 HydrophobicContact CB-CE2 4.34Å; I84-F163 HydrophobicContact CB-CZ 3.97Å; I84-F163 HydrophobicContact CG2-CE2 3.63Å; I84-F163 HydrophobicContact CG2-CZ 3.76Å; L86-F163 HydrophobicContact CD2-CD1 3.59Å; L86-F163 HydrophobicContact CD2-CD2 4.31Å; L86-F163 HydrophobicContact CD2-CE1 3.59Å; L86-F163 HydrophobicContact CD2-CE2 4.32Å; L86-F163 HydrophobicContact CD2-CG 3.96Å; L86-F163 HydrophobicContact CD2-CZ 3.97Å; G89-F163 PolarHBondContact O-N 2.78Å; V161-F163 HydrophobicContact CG1-CD1 4.1Å; V161-F163 HydrophobicContact CG1-CE1 3.65Å; V161-F163 HydrophobicContact CG1-CE2 4.26Å; V161-F163 HydrophobicContact CG1-CZ 3.74Å; F163-Q166 PolarHBondContact O-N 3.13Å; F163-V185 HydrophobicContact CD1-CG1 4.47Å; F163-V187 HydrophobicContact CB-CG2 4.12Å; F163-V187 HydrophobicContact CD1-CG2 3.97Å; F163-L193 HydrophobicContact CE1-CD1 4.42Å |
| 164 | L | 86.6 | Confident | 95.8 | Very high | 113 Ų | 113 | 26 Ų | 26 | 59% | 0.592 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -29.1 | -178.3 | -54.3 | 175 | 0 | 0 | 0 | 112.4 | I90 D162 | I90-L164 HydrophobicContact CG1-CD1 4.46Å; D162-L164 PolarHBondContact O-N 3.39Å; D162-L164 WeakPolarHBondContact OD1-CA 3.49Å; D162-L164 WeakPolarHBondContact OD1-CB 3.17Å; D162-L164 PolarHBondContact OD1-N 3.08Å |
| 165 | S | 88.3 | Confident | 95.9 | Very high | 27 Ų | 27 | 25.5 Ų | 25.5 | 19% | 0.189 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 11.5 | 167.6 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | D162 S167 K179 G183 | D162-S165 PolarHBondContact OD1-N 3.32Å; D162-S165 PolarHBondContact OD1-OG 3.44Å; D162-S165 PolarHBondContact OD2-OG 2.86Å; S165-S167 VanDerWaalsContact C-N 3.27Å; S165-S167 PolarHBondContact O-N 2.75Å; S165-S167 PolarHBondContact OG-OG 3.46Å; S165-K179 PolarHBondContact OG-NZ 2.87Å; S165-G183 PolarHBondContact O-N 3.03Å |
| 166 | Q | 93.7 | Very high | 95.9 | Very high | 81 Ų | 81 | 28.6 Ų | 28.6 | 38% | 0.379 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 48.6 | 179.7 | -61.8 | -174.7 | 7.8 | 0 | 0 | 112.4 | D162 F163 F181 G183 K184 V185 V187 | D162-Q166 WeakPolarHBondContact O-CA 3.46Å; D162-Q166 PolarHBondContact O-N 2.77Å; F163-Q166 PolarHBondContact O-N 3.13Å; Q166-F181 VanDerWaalsContact O-O 3.09Å; Q166-G183 PolarHBondContact O-N 3.24Å; Q166-K184 PolarHBondContact O-N 2.94Å; Q166-V185 VanDerWaalsContact C-CB 3.48Å; Q166-V185 HydrophobicContact CB-CB 4.46Å; Q166-V185 WeakPolarHBondContact CB-O 3.3Å; Q166-V185 WeakPolarHBondContact O-CG2 3.27Å; Q166-V185 PolarHBondContact O-N 3.34Å; Q166-V187 HydrophobicContact CG-CB 4.48Å; Q166-V187 HydrophobicContact CG-CG2 3.9Å |
| 167 | S | 95 | Very high | 95.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 152.7 | -170 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | D162 S165 V185 | D162-S167 PolarHBondContact N-O 2.98Å; D162-S167 PolarHBondContact O-N 2.75Å; S165-S167 VanDerWaalsContact C-N 3.27Å; S165-S167 PolarHBondContact O-N 2.75Å; S165-S167 PolarHBondContact OG-OG 3.46Å; S167-V185 VanDerWaalsContact C-CG2 3.49Å |
| 168 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 166.6 | 158 | -92.7 | 63.4 | 0 | 0 | 0 | 109.7 | V110 F128 G160 V161 F170 K179 A180 F181 V185 | V110-L168 HydrophobicContact CG2-CD1 4.1Å; V110-L168 HydrophobicContact CG2-CD2 4.28Å; F128-L168 HydrophobicContact CB-CD2 3.92Å; G160-L168 CarbonylContact O-C 3.59Å; G160-L168 WeakPolarHBondContact O-CA 3.21Å; G160-L168 WeakPolarHBondContact O-CG 3.35Å; V161-L168 HydrophobicContact CG1-CD1 4.37Å; V161-L168 HydrophobicContact CG2-CD1 4.21Å; V161-L168 HydrophobicContact CG2-CG 4.23Å; L168-F170 HydrophobicContact CB-CE2 4.34Å; L168-F170 HydrophobicContact CB-CZ 4.47Å; L168-F170 HydrophobicContact CD2-CE1 4.36Å; L168-F170 HydrophobicContact CD2-CE2 4.32Å; L168-F170 HydrophobicContact CD2-CZ 3.7Å; L168-K179 CarbonylContact O-C 3.56Å; L168-K179 WeakPolarHBondContact O-CA 3.18Å; L168-A180 PolarHBondContact N-O 2.77Å; L168-A180 PolarHBondContact O-N 3.23Å; L168-F181 HydrophobicContact CB-CD2 4.24Å; L168-F181 HydrophobicContact CD2-CD2 4.47Å; L168-V185 HydrophobicContact CD1-CG2 3.44Å; L168-V185 VanDerWaalsContact CD1-CG2 3.44Å |
| 169 | F | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 158.9 | 156.6 | 62.8 | -95.7 | 0 | 0 | 0 | 109.4 | I90 Y92 G160 T171 F176 G178 K179 F217 F219 H222 | I90-F169 HydrophobicContact CG2-CE1 3.85Å; I90-F169 HydrophobicContact CG2-CZ 4.4Å; Y92-F169 AromaticContact CD2-CE2 3.64Å; Y92-F169 HydrophobicContact CD2-CE2 3.64Å; Y92-F169 AromaticContact CD2-CZ 3.92Å; Y92-F169 HydrophobicContact CD2-CZ 3.92Å; Y92-F169 AromaticContact CE2-CE2 3.82Å; Y92-F169 HydrophobicContact CE2-CE2 3.82Å; G160-F169 PolarHBondContact N-O 3.37Å; G160-F169 PolarHBondContact O-N 3.16Å; F169-T171 HydrophobicContact CD2-CG2 4.3Å; F169-T171 HydrophobicContact CE2-CG2 4.3Å; F169-F176 HydrophobicContact CB-CD2 4.47Å; F169-F176 HydrophobicContact CB-CE2 3.61Å; F169-F176 HydrophobicContact CB-CZ 4.06Å; F169-F176 HydrophobicContact CD1-CE2 4.3Å; F169-F176 AromaticContact CD2-CD2 3.82Å; F169-F176 HydrophobicContact CD2-CD2 3.82Å; F169-F176 AromaticContact CD2-CE2 3.54Å; F169-F176 HydrophobicContact CD2-CE2 3.54Å; F169-F176 HydrophobicContact CE2-CD2 4.34Å; F169-F176 HydrophobicContact CE2-CE2 4.21Å; F169-F176 HydrophobicContact CG-CD2 4.33Å; F169-F176 AromaticContact CG-CE2 3.58Å; F169-F176 HydrophobicContact CG-CE2 3.58Å; F169-F176 HydrophobicContact CG-CZ 4.43Å; F169-G178 WeakPolarHBondContact CA-O 3.5Å; F169-G178 VanDerWaalsContact CB-O 3.3Å; F169-G178 WeakPolarHBondContact CB-O 3.37Å; F169-K179 HydrophobicContact CB-CG 4.38Å; F169-F217 AromaticContact CE2-CE1 3.89Å; F169-F217 HydrophobicContact CE2-CE1 3.89Å; F169-F217 HydrophobicContact CZ-CE1 4.4Å; F169-F219 HydrophobicContact CZ-CD2 4.48Å; F169-F219 HydrophobicContact CZ-CE2 4.24Å; F169-H222 AromaticContact CD1-NE2 3.99Å; F169-H222 AromaticContact CE1-CD2 3.93Å; F169-H222 AromaticContact CE1-NE2 3.42Å; F169-H222 WeakPolarHBondContact CE1-NE2 3.31Å; F169-H222 AromaticContact CZ-CD2 3.59Å; F169-H222 AromaticContact CZ-NE2 3.51Å |
| 170 | F | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 154.7 | 175.2 | -60.3 | -82.5 | 0 | 0 | 0 | 110.6 | V108 Y130 V136 F147 G158 C159 L168 L177 A180 F181 | V108-F170 WeakPolarHBondContact O-CE1 3.47Å; Y130-F170 VanDerWaalsContact CB-CZ 3.5Å; Y130-F170 HydrophobicContact CD1-CB 4.15Å; Y130-F170 HydrophobicContact CD1-CD1 4.09Å; Y130-F170 HydrophobicContact CD1-CG 4.02Å; Y130-F170 HydrophobicContact CG-CD1 4.25Å; Y130-F170 HydrophobicContact CG-CD2 4.26Å; Y130-F170 HydrophobicContact CG-CG 4.12Å; V136-F170 HydrophobicContact CG1-CD2 4.41Å; V136-F170 HydrophobicContact CG1-CE2 4.03Å; F147-F170 HydrophobicContact CD1-CD2 4.44Å; F147-F170 HydrophobicContact CE1-CB 4.09Å; F147-F170 AromaticContact CE1-CD2 3.8Å; F147-F170 HydrophobicContact CE1-CD2 3.8Å; F147-F170 HydrophobicContact CE1-CG 4.39Å; F147-F170 HydrophobicContact CZ-CD2 4.2Å; G158-F170 VanDerWaalsContact O-CA 3.25Å; G158-F170 WeakPolarHBondContact O-CA 3.45Å; C159-F170 HydrophobicContact CB-CD1 4.07Å; C159-F170 HydrophobicContact CB-CE1 3.98Å; L168-F170 HydrophobicContact CB-CE2 4.34Å; L168-F170 HydrophobicContact CB-CZ 4.47Å; L168-F170 HydrophobicContact CD2-CE1 4.36Å; L168-F170 HydrophobicContact CD2-CE2 4.32Å; L168-F170 HydrophobicContact CD2-CZ 3.7Å; F170-L177 HydrophobicContact CB-CD1 4.15Å; F170-L177 WeakPolarHBondContact O-CB 3.37Å; F170-L177 PolarHBondContact O-N 2.85Å; F170-A180 HydrophobicContact CD2-CB 4.08Å; F170-A180 HydrophobicContact CE2-CB 3.84Å; F170-F181 HydrophobicContact CE2-CE2 4.38Å |
| 171 | T | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 159.2 | 172.4 | 72.9 | 0 | 0 | 0 | 0 | 109.4 | Y92 I157 G158 F169 I175 F217 | Y92-T171 HydrophobicContact CE2-CG2 3.82Å; Y92-T171 PolarHBondContact OH-OG1 3.45Å; I157-T171 WeakPolarHBondContact CA-O 3.46Å; G158-T171 WeakPolarHBondContact CA-OG1 3.31Å; G158-T171 PolarHBondContact N-O 3.08Å; G158-T171 VanDerWaalsContact N-O 3.1Å; G158-T171 PolarHBondContact N-OG1 2.96Å; G158-T171 VanDerWaalsContact N-OG1 3.08Å; G158-T171 PolarHBondContact O-N 3.04Å; F169-T171 HydrophobicContact CD2-CG2 4.3Å; F169-T171 HydrophobicContact CE2-CG2 4.3Å; T171-I175 CarbonylContact C-O 3.37Å; T171-I175 WeakPolarHBondContact CA-O 3.25Å; T171-I175 WeakPolarHBondContact CB-O 3.39Å; T171-F217 HydrophobicContact CG2-CB 4.25Å; T171-F217 HydrophobicContact CG2-CD1 3.88Å; T171-F217 HydrophobicContact CG2-CD2 3.95Å; T171-F217 HydrophobicContact CG2-CE1 4.12Å; T171-F217 HydrophobicContact CG2-CE2 4.2Å; T171-F217 HydrophobicContact CG2-CG 3.78Å; T171-F217 HydrophobicContact CG2-CZ 4.27Å |
| 172 | R | 98.3 | Very high | 94.5 | Very high | 56 Ų | 56 | 40 Ų | 40 | 21% | 0.211 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 124.8 | 165.6 | 177 | 179.3 | 177.6 | -176.8 | 4.5 | 109.3 | P149 R150 D155 I156 I157 G174 I175 L177 | P149-R172 PolarHBondContact O-NH1 3.47Å; R150-R172 VanDerWaalsContact O-CZ 3.32Å; R150-R172 PolarHBondContact O-NH1 2.88Å; R150-R172 PolarHBondContact O-NH2 2.86Å; D155-R172 VanDerWaalsContact CG-NE 3.33Å; D155-R172 IonicContact OD1-CZ 3.65Å; D155-R172 IonicContact OD1-NE 2.83Å; D155-R172 PolarHBondContact OD1-NE 2.79Å; D155-R172 IonicContact OD1-NH2 3.17Å; D155-R172 PolarHBondContact OD1-NH2 2.89Å; D155-R172 IonicContact OD2-CZ 2.75Å; D155-R172 IonicContact OD2-NE 2.68Å; D155-R172 IonicContact OD2-NH2 2.94Å; D155-R172 PolarHBondContact OD2-NH2 3.48Å; I156-R172 CarbonylContact O-C 3.26Å; I156-R172 VanDerWaalsContact O-CA 3.32Å; I156-R172 WeakPolarHBondContact O-CA 3.43Å; I157-R172 HydrophobicContact CD1-CB 3.79Å; I157-R172 HydrophobicContact CD1-CG 3.76Å; R172-G174 PolarHBondContact O-N 2.82Å; R172-I175 PolarHBondContact N-O 3.2Å; R172-I175 WeakPolarHBondContact O-CB 3.37Å; R172-I175 PolarHBondContact O-N 2.85Å; R172-L177 HydrophobicContact CB-CD1 4.19Å; R172-L177 HydrophobicContact CB-CD2 4.28Å |
| 173 | N | 97.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 31% | 0.305 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 46.3 | 176.4 | -51.6 | -21.2 | 0 | 0 | 0 | 111.6 | D155 I156 I175 Y216 | D155-N173 PolarHBondContact OD1-ND2 2.8Å; I156-N173 PolarHBondContact N-OD1 3.49Å; I156-N173 PolarHBondContact O-N 3.21Å; I156-N173 PolarHBondContact O-OD1 3.22Å; N173-I175 VanDerWaalsContact C-N 3.28Å; N173-I175 PolarHBondContact O-N 3.28Å; N173-Y216 VanDerWaalsContact C-CE1 3.44Å; N173-Y216 VanDerWaalsContact O-CE1 3.27Å; N173-Y216 WeakPolarHBondContact O-CE1 3.46Å |
| 174 | G | 96.8 | Very high | 94.4 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -7.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | R172 Y216 F217 | R172-G174 PolarHBondContact O-N 2.82Å; G174-Y216 VanDerWaalsContact N-CD1 3.35Å; G174-F217 WeakPolarHBondContact O-CD2 3.42Å |
| 175 | I | 97.5 | Very high | 94.7 | Very high | 118 Ų | 118 | 42.4 Ų | 42.4 | 61% | 0.605 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.3 | 178.4 | -55.3 | 176.5 | 0 | 0 | 0 | 109.6 | T171 R172 N173 | T171-I175 CarbonylContact C-O 3.37Å; T171-I175 WeakPolarHBondContact CA-O 3.25Å; T171-I175 WeakPolarHBondContact CB-O 3.39Å; R172-I175 PolarHBondContact N-O 3.2Å; R172-I175 WeakPolarHBondContact O-CB 3.37Å; R172-I175 PolarHBondContact O-N 2.85Å; N173-I175 VanDerWaalsContact C-N 3.28Å; N173-I175 PolarHBondContact O-N 3.28Å |
| 176 | F | 97.1 | Very high | 94.7 | Very high | 77 Ų | 77 | 42.4 Ų | 42.4 | 34% | 0.338 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.4 | 174.1 | -179.6 | -97.6 | 0 | 0 | 0 | 110.8 | F169 G178 K179 F217 H222 | F169-F176 HydrophobicContact CB-CD2 4.47Å; F169-F176 HydrophobicContact CB-CE2 3.61Å; F169-F176 HydrophobicContact CB-CZ 4.06Å; F169-F176 HydrophobicContact CD1-CE2 4.3Å; F169-F176 AromaticContact CD2-CD2 3.82Å; F169-F176 HydrophobicContact CD2-CD2 3.82Å; F169-F176 AromaticContact CD2-CE2 3.54Å; F169-F176 HydrophobicContact CD2-CE2 3.54Å; F169-F176 HydrophobicContact CE2-CD2 4.34Å; F169-F176 HydrophobicContact CE2-CE2 4.21Å; F169-F176 HydrophobicContact CG-CD2 4.33Å; F169-F176 AromaticContact CG-CE2 3.58Å; F169-F176 HydrophobicContact CG-CE2 3.58Å; F169-F176 HydrophobicContact CG-CZ 4.43Å; F176-G178 VanDerWaalsContact CE1-CA 3.42Å; F176-K179 HydrophobicContact CZ-CG 4.07Å; F176-F217 HydrophobicContact CB-CE2 4.03Å; F176-F217 HydrophobicContact CB-CZ 4.32Å; F176-F217 HydrophobicContact CD2-CZ 4Å; F176-H222 AromaticContact CE2-CE1 3.52Å |
| 177 | L | 96.9 | Very high | 94.2 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -7.3 | -174.5 | -58.1 | 178.7 | 0 | 0 | 0 | 114 | Y130 F147 P149 F170 R172 | Y130-L177 HydrophobicContact CE1-CD1 3.98Å; F147-L177 HydrophobicContact CE1-CB 3.82Å; F147-L177 HydrophobicContact CE1-CD1 4.42Å; F147-L177 HydrophobicContact CZ-CB 4.08Å; P149-L177 HydrophobicContact CG-CD2 4.08Å; F170-L177 HydrophobicContact CB-CD1 4.15Å; F170-L177 WeakPolarHBondContact O-CB 3.37Å; F170-L177 PolarHBondContact O-N 2.85Å; R172-L177 HydrophobicContact CB-CD1 4.19Å; R172-L177 HydrophobicContact CB-CD2 4.28Å |
| 178 | G | 94.3 | Very high | 93.5 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 113.5 | 169.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | F169 F176 | F169-G178 WeakPolarHBondContact CA-O 3.5Å; F169-G178 VanDerWaalsContact CB-O 3.3Å; F169-G178 WeakPolarHBondContact CB-O 3.37Å; F176-G178 VanDerWaalsContact CE1-CA 3.42Å |
| 179 | K | 93.6 | Very high | 92.2 | Very high | 51 Ų | 51 | 48.6 Ų | 48.6 | 22% | 0.222 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 132.9 | 170.3 | -61.7 | -162.9 | 178.7 | -166.1 | 0 | 109.9 | D162 S165 L168 F169 F176 E226 | D162-K179 IonicContact OD2-NZ 2.62Å; D162-K179 PolarHBondContact OD2-NZ 2.95Å; S165-K179 PolarHBondContact OG-NZ 2.87Å; L168-K179 CarbonylContact O-C 3.56Å; L168-K179 WeakPolarHBondContact O-CA 3.18Å; F169-K179 HydrophobicContact CB-CG 4.38Å; F176-K179 HydrophobicContact CZ-CG 4.07Å; K179-E226 IonicContact NZ-OE1 3.6Å; K179-E226 IonicContact NZ-OE2 2.68Å; K179-E226 PolarHBondContact NZ-OE2 3.45Å |
| 180 | A | 93.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 149.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | V136 F147 L168 F170 E182 | V136-A180 HydrophobicContact CG1-CB 4.5Å; F147-A180 HydrophobicContact CD2-CB 4.25Å; F147-A180 HydrophobicContact CE2-CB 3.82Å; F147-A180 HydrophobicContact CZ-CB 4.09Å; L168-A180 PolarHBondContact N-O 2.77Å; L168-A180 PolarHBondContact O-N 3.23Å; F170-A180 HydrophobicContact CD2-CB 4.08Å; F170-A180 HydrophobicContact CE2-CB 3.84Å; A180-E182 VanDerWaalsContact C-N 3.26Å; A180-E182 PolarHBondContact O-N 2.99Å |
| 181 | F | 91.9 | Very high | 90.6 | Very high | 27 Ų | 27 | 53.3 Ų | 53.3 | 12% | 0.118 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 55.4 | 35.7 | 175.5 | -43.7 | -70.6 | 0 | 0 | 0 | 114.5 | F128 V136 Y137 H138 Q166 L168 F170 G183 K184 | F128-F181 HydrophobicContact CB-CD2 4.1Å; F128-F181 HydrophobicContact CB-CE2 3.84Å; F128-F181 HydrophobicContact CB-CZ 4.37Å; F128-F181 HydrophobicContact CD1-CB 3.94Å; F128-F181 AromaticContact CD1-CD1 3.97Å; F128-F181 HydrophobicContact CD1-CD1 3.97Å; F128-F181 AromaticContact CD1-CD2 3.65Å; F128-F181 HydrophobicContact CD1-CD2 3.65Å; F128-F181 HydrophobicContact CD1-CE1 4.33Å; F128-F181 HydrophobicContact CD1-CE2 4.03Å; F128-F181 AromaticContact CD1-CG 3.59Å; F128-F181 HydrophobicContact CD1-CG 3.59Å; F128-F181 HydrophobicContact CD1-CZ 4.32Å; F128-F181 HydrophobicContact CE1-CB 4.03Å; F128-F181 HydrophobicContact CE1-CD1 4.47Å; F128-F181 HydrophobicContact CE1-CG 4.14Å; F128-F181 HydrophobicContact CG-CD2 4.3Å; F128-F181 HydrophobicContact CG-CE2 4.44Å; V136-F181 HydrophobicContact CB-CE1 4.28Å; V136-F181 HydrophobicContact CB-CE2 4.16Å; V136-F181 HydrophobicContact CB-CZ 3.62Å; V136-F181 HydrophobicContact CG1-CZ 4.47Å; V136-F181 HydrophobicContact CG2-CE1 4.17Å; V136-F181 HydrophobicContact CG2-CZ 3.99Å; Y137-F181 VanDerWaalsContact O-CZ 3.22Å; Y137-F181 WeakPolarHBondContact O-CZ 3.2Å; H138-F181 HydrophobicContact CB-CD1 3.91Å; H138-F181 HydrophobicContact CB-CE1 3.39Å; H138-F181 HydrophobicContact CB-CZ 4Å; Q166-F181 VanDerWaalsContact O-O 3.09Å; L168-F181 HydrophobicContact CB-CD2 4.24Å; L168-F181 HydrophobicContact CD2-CD2 4.47Å; F170-F181 HydrophobicContact CE2-CE2 4.38Å; F181-G183 PolarHBondContact O-N 3.4Å; F181-K184 HydrophobicContact CB-CB 4.21Å; F181-K184 HydrophobicContact CB-CD 4.47Å; F181-K184 WeakPolarHBondContact O-CB 3.47Å; F181-K184 PolarHBondContact O-N 3.46Å |
| 182 | E | 89.7 | Confident | 90.3 | Very high | 129 Ų | 129 | 59.5 Ų | 59.5 | 60% | 0.603 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 132.7 | 179.5 | -170.8 | 168.5 | -141.6 | 0 | 0 | 112.1 | A180 K184 | A180-E182 VanDerWaalsContact C-N 3.26Å; A180-E182 PolarHBondContact O-N 2.99Å; E182-K184 VanDerWaalsContact C-N 3.3Å; E182-K184 PolarHBondContact O-N 3.42Å |
| 183 | G | 89.9 | Confident | 90.1 | Very high | 52 Ų | 52 | 56.9 Ų | 56.9 | 54% | 0.536 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 16.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S165 Q166 F181 | S165-G183 PolarHBondContact O-N 3.03Å; Q166-G183 PolarHBondContact O-N 3.24Å; F181-G183 PolarHBondContact O-N 3.4Å |
| 184 | K | 90.7 | Very high | 90.1 | Very high | 124 Ų | 124 | 55.1 Ų | 55.1 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -14.6 | -176.1 | -53.8 | -173.7 | -177.8 | -175.1 | 0 | 115.2 | F128 Q166 F181 E182 | F128-K184 HydrophobicContact CE1-CB 4.3Å; F128-K184 WeakPolarHBondContact CZ-O 3.43Å; Q166-K184 PolarHBondContact O-N 2.94Å; F181-K184 HydrophobicContact CB-CB 4.21Å; F181-K184 HydrophobicContact CB-CD 4.47Å; F181-K184 WeakPolarHBondContact O-CB 3.47Å; F181-K184 PolarHBondContact O-N 3.46Å; E182-K184 VanDerWaalsContact C-N 3.3Å; E182-K184 PolarHBondContact O-N 3.42Å |
| 185 | V | 92.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -72.6 | 122.4 | 177.7 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | V161 F163 Q166 S167 L168 V187 L193 | V161-V185 HydrophobicContact CG1-CG1 4.35Å; F163-V185 HydrophobicContact CD1-CG1 4.47Å; Q166-V185 VanDerWaalsContact C-CB 3.48Å; Q166-V185 HydrophobicContact CB-CB 4.46Å; Q166-V185 WeakPolarHBondContact CB-O 3.3Å; Q166-V185 WeakPolarHBondContact O-CG2 3.27Å; Q166-V185 PolarHBondContact O-N 3.34Å; S167-V185 VanDerWaalsContact C-CG2 3.49Å; L168-V185 HydrophobicContact CD1-CG2 3.44Å; L168-V185 VanDerWaalsContact CD1-CG2 3.44Å; V185-V187 PolarHBondContact O-N 3.37Å; V185-L193 HydrophobicContact CG1-CD1 3.58Å |
| 186 | P | 89.9 | Confident | 90.2 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | trans | -62.1 | 138.3 | -178.8 | 24.3 | -32.9 | 0 | 0 | 0 | 110.9 | M112 T191 L193 | M112-P186 HydrophobicContact CE-CB 4.4Å; M112-P186 HydrophobicContact CE-CG 3.88Å; P186-T191 HydrophobicContact CB-CG2 3.98Å; P186-T191 HydrophobicContact CG-CG2 3.94Å; P186-T191 WeakPolarHBondContact O-CG2 3.42Å; P186-L193 HydrophobicContact CG-CD1 4.3Å; P186-L193 HydrophobicContact CG-CD2 4.43Å | ||
| 187 | V | 83.3 | Confident | 90.3 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 38% | 0.382 | 28% | 0.279 | S | S | . | . | trans | -139.4 | 117.5 | 171.7 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | F163 Q166 V185 | F163-V187 HydrophobicContact CB-CG2 4.12Å; F163-V187 HydrophobicContact CD1-CG2 3.97Å; Q166-V187 HydrophobicContact CG-CB 4.48Å; Q166-V187 HydrophobicContact CG-CG2 3.9Å; V185-V187 PolarHBondContact O-N 3.37Å | ||
| 188 | G | 78.7 | Confident | 90.3 | Very high | 33 Ų | 33 | 43 Ų | 43 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 170 | 166.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G190 T191 | G188-G190 PolarHBondContact O-N 2.96Å; G188-T191 PolarHBondContact N-OG1 3.5Å; G188-T191 WeakPolarHBondContact O-CB 3.29Å; G188-T191 PolarHBondContact O-N 3.35Å; G188-T191 PolarHBondContact O-OG1 2.91Å |
| 189 | A | 70.4 | Confident | 90.3 | Very high | 114 Ų | 114 | 42 Ų | 42 | 94% | 0.942 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 134.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | T191 | A189-T191 VanDerWaalsContact C-N 3.29Å; A189-T191 PolarHBondContact O-N 3.3Å |
| 190 | G | 76.7 | Confident | 90.4 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 75% | 0.753 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -6.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G188 R192 | G188-G190 PolarHBondContact O-N 2.96Å; G190-R192 PolarHBondContact O-N 3.04Å |
| 191 | T | 84.3 | Confident | 90.2 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | trans | -69.2 | 114.9 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 111 | M112 P186 G188 A189 L193 | M112-T191 HydrophobicContact CE-CG2 4.06Å; P186-T191 HydrophobicContact CB-CG2 3.98Å; P186-T191 HydrophobicContact CG-CG2 3.94Å; P186-T191 WeakPolarHBondContact O-CG2 3.42Å; G188-T191 PolarHBondContact N-OG1 3.5Å; G188-T191 WeakPolarHBondContact O-CB 3.29Å; G188-T191 PolarHBondContact O-N 3.35Å; G188-T191 PolarHBondContact O-OG1 2.91Å; A189-T191 VanDerWaalsContact C-N 3.29Å; A189-T191 PolarHBondContact O-N 3.3Å; T191-L193 HydrophobicContact CG2-CG 4.29Å | ||
| 192 | R | 91.9 | Very high | 89.9 | Confident | 130 Ų | 130 | 49.7 Ų | 49.7 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | trans | -127.4 | 100.4 | 175.9 | -61.1 | -171 | -170.5 | -80.6 | 5.6 | 110.3 | G190 F194 | G190-R192 PolarHBondContact O-N 3.04Å; R192-F194 HydrophobicContact CB-CE2 4.01Å | ||
| 193 | L | 95.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139.4 | 174.6 | -66.7 | 175.6 | 0 | 0 | 0 | 110.3 | S83 I84 V110 M112 F163 V185 P186 T191 | S83-L193 CarbonylContact C-O 3.56Å; S83-L193 VanDerWaalsContact CA-O 3.31Å; S83-L193 WeakPolarHBondContact CA-O 3.45Å; S83-L193 WeakPolarHBondContact CB-O 3.45Å; I84-L193 PolarHBondContact N-O 3.42Å; V110-L193 HydrophobicContact CB-CB 4.46Å; V110-L193 HydrophobicContact CG2-CB 4.49Å; V110-L193 HydrophobicContact CG2-CD1 4.23Å; V110-L193 HydrophobicContact CG2-CD2 4.43Å; M112-L193 HydrophobicContact CG-CD2 3.82Å; F163-L193 HydrophobicContact CE1-CD1 4.42Å; V185-L193 HydrophobicContact CG1-CD1 3.58Å; P186-L193 HydrophobicContact CG-CD1 4.3Å; P186-L193 HydrophobicContact CG-CD2 4.43Å; T191-L193 HydrophobicContact CG2-CG 4.29Å |
| 194 | F | 97.4 | Very high | 90 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 9% | 0.088 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.3 | -179.2 | -64.6 | -105.1 | 0 | 0 | 0 | 109 | R79 A82 V110 S111 K113 R192 T196 | R79-F194 HydrophobicContact CB-CB 4.05Å; R79-F194 HydrophobicContact CB-CG 4.48Å; R79-F194 HydrophobicContact CG-CB 3.92Å; A82-F194 WeakPolarHBondContact O-CD1 3.46Å; V110-F194 WeakPolarHBondContact CA-O 3.31Å; V110-F194 WeakPolarHBondContact CB-O 3.05Å; S111-F194 PolarHBondContact N-O 3.45Å; S111-F194 PolarHBondContact O-N 2.98Å; K113-F194 HydrophobicContact CB-CE2 3.93Å; K113-F194 HydrophobicContact CB-CZ 4.47Å; R192-F194 HydrophobicContact CB-CE2 4.01Å; F194-T196 PolarHBondContact O-N 3.41Å; F194-T196 PolarHBondContact O-OG1 3.4Å |
| 195 | P | 98.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -38.6 | 129.6 | 156.6 | -32.8 | 33.3 | 0 | 0 | 0 | 110.5 | P35 W38 R79 S80 I84 Y91 F93 F210 | P35-P195 HydrophobicContact CB-CG 4.17Å; P35-P195 HydrophobicContact CG-CG 4.05Å; W38-P195 HydrophobicContact CH2-CB 4.26Å; W38-P195 HydrophobicContact CZ3-CB 4.29Å; W38-P195 WeakPolarHBondContact CZ3-O 3.47Å; R79-P195 WeakPolarHBondContact CA-O 3.43Å; S80-P195 PolarHBondContact N-O 2.94Å; S80-P195 VanDerWaalsContact N-O 3.1Å; S80-P195 VanDerWaalsContact OG-CD 3.25Å; S80-P195 WeakPolarHBondContact OG-CD 3.32Å; I84-P195 HydrophobicContact CD1-CG 4.38Å; I84-P195 HydrophobicContact CG1-CG 4.22Å; Y91-P195 HydrophobicContact CE1-CG 4.06Å; F93-P195 HydrophobicContact CD1-CB 4.17Å; F93-P195 HydrophobicContact CD1-CG 4.12Å; F93-P195 HydrophobicContact CE1-CB 3.75Å; F93-P195 HydrophobicContact CE1-CG 4.02Å; F93-P195 HydrophobicContact CE2-CB 4.32Å; F93-P195 HydrophobicContact CZ-CB 3.84Å; P195-F210 HydrophobicContact CB-CE1 3.78Å; P195-F210 HydrophobicContact CB-CZ 4.48Å; P195-F210 HydrophobicContact CG-CE1 4.09Å |
| 196 | T | 98.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 132 | -174.5 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | V78 R79 G109 S111 P121 F194 | V78-T196 WeakPolarHBondContact O-CA 3.47Å; R79-T196 HydrophobicContact CG-CG2 4.38Å; G109-T196 CarbonylContact C-O 3.49Å; G109-T196 PolarHBondContact N-O 3.29Å; G109-T196 PolarHBondContact O-N 3Å; G109-T196 VanDerWaalsContact O-O 3.12Å; S111-T196 WeakPolarHBondContact CB-OG1 3.35Å; S111-T196 PolarHBondContact N-OG1 3.46Å; S111-T196 VanDerWaalsContact N-OG1 3.14Å; S111-T196 PolarHBondContact OG-OG1 2.92Å; P121-T196 HydrophobicContact CB-CG2 3.95Å; P121-T196 HydrophobicContact CG-CG2 4.19Å; F194-T196 PolarHBondContact O-N 3.41Å; F194-T196 PolarHBondContact O-OG1 3.4Å |
| 197 | I | 98.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.8 | 165.6 | 53.7 | 169.2 | 0 | 0 | 0 | 110 | W38 V56 C77 V78 I95 S107 V108 V206 | W38-I197 HydrophobicContact CD2-CD1 4.4Å; W38-I197 HydrophobicContact CD2-CG1 4.42Å; W38-I197 HydrophobicContact CE3-CG1 4.43Å; W38-I197 HydrophobicContact CH2-CB 4.24Å; W38-I197 HydrophobicContact CH2-CD1 4.26Å; W38-I197 HydrophobicContact CH2-CG1 3.72Å; W38-I197 HydrophobicContact CH2-CG2 3.82Å; W38-I197 HydrophobicContact CZ2-CB 4.36Å; W38-I197 HydrophobicContact CZ2-CD1 3.66Å; W38-I197 HydrophobicContact CZ2-CG1 3.65Å; W38-I197 HydrophobicContact CZ2-CG2 3.88Å; W38-I197 HydrophobicContact CZ3-CG1 4.09Å; V56-I197 HydrophobicContact CB-CD1 4.05Å; V56-I197 HydrophobicContact CG1-CD1 4.48Å; V56-I197 HydrophobicContact CG2-CD1 3.73Å; C77-I197 WeakPolarHBondContact CA-O 3.37Å; C77-I197 WeakPolarHBondContact CB-O 3.32Å; V78-I197 HydrophobicContact CG1-CD1 4.08Å; V78-I197 HydrophobicContact CG1-CG1 3.64Å; V78-I197 PolarHBondContact N-O 3.42Å; V78-I197 PolarHBondContact O-N 3.03Å; I95-I197 HydrophobicContact CG2-CG2 4.24Å; S107-I197 WeakPolarHBondContact O-CA 3.13Å; V108-I197 HydrophobicContact CB-CG2 4.47Å; V108-I197 HydrophobicContact CG1-CG2 4.19Å; V108-I197 HydrophobicContact CG2-CG2 4.3Å; I197-V206 HydrophobicContact CD1-CG1 3.58Å |
| 198 | G | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C77 L106 S107 F120 | C77-G198 WeakPolarHBondContact SG-CA 3.35Å; L106-G198 WeakPolarHBondContact CA-O 3.41Å; S107-G198 PolarHBondContact N-O 2.96Å; S107-G198 PolarHBondContact O-N 3.04Å; F120-G198 WeakPolarHBondContact CE1-O 3.43Å |
| 199 | L | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.8 | -174.8 | -70.5 | 151.2 | 0 | 0 | 0 | 109.8 | L47 V56 F58 A76 L106 V204 V206 | L47-L199 HydrophobicContact CD2-CB 4.1Å; L47-L199 HydrophobicContact CD2-CD1 3.66Å; V56-L199 HydrophobicContact CB-CD1 3.92Å; V56-L199 HydrophobicContact CG1-CD1 3.42Å; V56-L199 VanDerWaalsContact CG1-CD1 3.42Å; F58-L199 HydrophobicContact CB-CB 4.25Å; F58-L199 HydrophobicContact CD2-CB 4.04Å; F58-L199 VanDerWaalsContact CD2-O 3.31Å; F58-L199 WeakPolarHBondContact CD2-O 2.81Å; F58-L199 WeakPolarHBondContact CE2-O 3.42Å; A76-L199 PolarHBondContact N-O 3.34Å; A76-L199 PolarHBondContact O-N 3.08Å; L106-L199 HydrophobicContact CD1-CD2 3.4Å; L106-L199 HydrophobicContact CD1-CG 3.89Å; L199-V204 HydrophobicContact CD2-CB 3.92Å; L199-V204 HydrophobicContact CD2-CG1 3.33Å; L199-V206 HydrophobicContact CD1-CG1 4.14Å; L199-V206 HydrophobicContact CD2-CG1 3.95Å; L199-V206 HydrophobicContact CG-CG1 4.45Å |
| 200 | Q | 93.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 139 | 174.7 | -173.4 | -169.9 | 20.5 | 0 | 0 | 108.7 | Q73 G104 C105 F120 V204 | Q73-Q200 HydrophobicContact CB-CG 4.4Å; Q73-Q200 PolarHBondContact O-NE2 3.26Å; G104-Q200 CarbonylContact C-O 3.58Å; G104-Q200 WeakPolarHBondContact CA-O 3.28Å; C105-Q200 HydrophobicContact CB-CB 4.43Å; C105-Q200 PolarHBondContact N-O 3.02Å; C105-Q200 PolarHBondContact O-N 3.49Å; F120-Q200 HydrophobicContact CE1-CB 4.26Å; F120-Q200 HydrophobicContact CE2-CB 4.36Å; F120-Q200 HydrophobicContact CZ-CB 3.54Å; F120-Q200 HydrophobicContact CZ-CG 4.44Å; Q200-V204 VanDerWaalsContact O-CG2 3.3Å; Q200-V204 WeakPolarHBondContact O-CG2 3.48Å |
| 201 | G | 89.6 | Confident | 94.4 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 8% | 0.082 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 105.4 | 136 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F58 Q73 G203 V204 | F58-G201 WeakPolarHBondContact CB-O 3.37Å; F58-G201 WeakPolarHBondContact CD1-O 3.37Å; F58-G201 VanDerWaalsContact CG-O 3.31Å; F58-G201 WeakPolarHBondContact CG-O 3.46Å; Q73-G201 VanDerWaalsContact OE1-CA 3.27Å; G201-G203 PolarHBondContact O-N 3.19Å; G201-V204 WeakPolarHBondContact O-CG2 3.42Å; G201-V204 PolarHBondContact O-N 3.03Å |
| 202 | R | 86.8 | Confident | 94.6 | Very high | 181 Ų | 181 | 30.6 Ų | 30.6 | 68% | 0.683 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 124.5 | 177.8 | -174 | 177.1 | -176.6 | 166.1 | 2.5 | 110.6 | ||
| 203 | G | 87.2 | Confident | 94.5 | Very high | 31 Ų | 31 | 30 Ų | 30 | 32% | 0.32 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -3.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116 | N99 G201 R205 | N99-G203 PolarHBondContact OD1-O 3Å; G201-G203 PolarHBondContact O-N 3.19Å; G203-R205 WeakPolarHBondContact O-CG 3.49Å; G203-R205 PolarHBondContact O-N 3.36Å |
| 204 | V | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -62.3 | 129.6 | 174.8 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | S57 F58 L97 N99 K100 L199 Q200 G201 | S57-V204 WeakPolarHBondContact CA-O 3.45Å; F58-V204 HydrophobicContact CB-CB 4.43Å; F58-V204 PolarHBondContact N-O 3.41Å; L97-V204 HydrophobicContact CD1-CG1 4.07Å; N99-V204 CarbonylContact O-C 3.6Å; N99-V204 VanDerWaalsContact O-CA 3.3Å; N99-V204 WeakPolarHBondContact O-CA 3.38Å; N99-V204 WeakPolarHBondContact O-CG1 3.39Å; K100-V204 WeakPolarHBondContact O-CG2 3.4Å; L199-V204 HydrophobicContact CD2-CB 3.92Å; L199-V204 HydrophobicContact CD2-CG1 3.33Å; Q200-V204 VanDerWaalsContact O-CG2 3.3Å; Q200-V204 WeakPolarHBondContact O-CG2 3.48Å; G201-V204 WeakPolarHBondContact O-CG2 3.42Å; G201-V204 PolarHBondContact O-N 3.03Å | ||
| 205 | R | 96.6 | Very high | 94.2 | Very high | 119 Ų | 119 | 35.2 Ų | 35.2 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.1 | -178.1 | -67.4 | 178.5 | 64.9 | -147.4 | -4.8 | 110.4 | V56 L97 L98 N99 G203 | V56-R205 WeakPolarHBondContact O-CA 3.22Å; L97-R205 WeakPolarHBondContact CD1-O 3.46Å; L98-R205 WeakPolarHBondContact CA-O 3.33Å; L98-R205 HydrophobicContact CB-CB 4.15Å; L98-R205 WeakPolarHBondContact CB-O 3.49Å; L98-R205 PolarHBondContact N-O 2.9Å; N99-R205 HydrophobicContact CB-CB 4.11Å; N99-R205 PolarHBondContact N-O 3Å; N99-R205 PolarHBondContact O-N 3Å; G203-R205 WeakPolarHBondContact O-CG 3.49Å; G203-R205 PolarHBondContact O-N 3.36Å |
| 206 | V | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.3 | 179.5 | 60.9 | 0 | 0 | 0 | 0 | 109.3 | T55 V56 I95 T96 L106 I197 L199 | T55-V206 CarbonylContact C-O 3.5Å; T55-V206 VanDerWaalsContact CA-O 3.32Å; T55-V206 WeakPolarHBondContact CA-O 3.12Å; T55-V206 VanDerWaalsContact CG2-O 3.26Å; T55-V206 WeakPolarHBondContact CG2-O 3.33Å; V56-V206 HydrophobicContact CB-CG1 3.97Å; V56-V206 PolarHBondContact N-O 3.42Å; V56-V206 PolarHBondContact O-N 3.1Å; I95-V206 HydrophobicContact CB-CG2 3.85Å; I95-V206 HydrophobicContact CD1-CG2 3.67Å; I95-V206 HydrophobicContact CG1-CG2 4.34Å; T96-V206 WeakPolarHBondContact O-CA 3.5Å; T96-V206 WeakPolarHBondContact O-CG2 3.45Å; L106-V206 HydrophobicContact CD1-CB 4.37Å; L106-V206 HydrophobicContact CD1-CG1 4.25Å; L106-V206 HydrophobicContact CD2-CG2 4.24Å; I197-V206 HydrophobicContact CD1-CG1 3.58Å; L199-V206 HydrophobicContact CD1-CG1 4.14Å; L199-V206 HydrophobicContact CD2-CG1 3.95Å; L199-V206 HydrophobicContact CG-CG1 4.45Å |
| 207 | T | 97.8 | Very high | 94 | Very high | 37 Ų | 37 | 43.2 Ų | 43.2 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 159.3 | 169.2 | -155.9 | 0 | 0 | 0 | 0 | 110.8 | L54 T55 I95 T96 L98 | L54-T207 CarbonylContact O-C 3.51Å; L54-T207 WeakPolarHBondContact O-CA 3.27Å; L54-T207 PolarHBondContact O-OG1 3.4Å; T55-T207 PolarHBondContact OG1-OG1 3.22Å; T55-T207 VanDerWaalsContact OG1-OG1 3.09Å; I95-T207 CarbonylContact C-O 3.09Å; I95-T207 VanDerWaalsContact CA-O 3.24Å; I95-T207 WeakPolarHBondContact CA-O 3.49Å; T96-T207 PolarHBondContact N-O 3.46Å; T96-T207 PolarHBondContact O-N 3.27Å; L98-T207 HydrophobicContact CD1-CG2 4.21Å; L98-T207 HydrophobicContact CD2-CG2 4.08Å; L98-T207 HydrophobicContact CG-CG2 4.27Å |
| 208 | T | 98.2 | Very high | 93.8 | Very high | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.9 | -169 | -56 | 0 | 0 | 0 | 0 | 112 | W38 L54 F93 E94 I95 F210 | W38-T208 HydrophobicContact CZ2-CG2 3.76Å; W38-T208 WeakPolarHBondContact CZ2-OG1 3.27Å; W38-T208 PolarHBondContact NE1-OG1 3.43Å; L54-T208 PolarHBondContact O-N 3.46Å; F93-T208 HydrophobicContact CD2-CG2 4.16Å; E94-T208 CarbonylContact O-C 3.58Å; E94-T208 WeakPolarHBondContact O-CA 3.39Å; E94-T208 WeakPolarHBondContact O-CG2 3.48Å; I95-T208 HydrophobicContact CG2-CG2 3.96Å; T208-F210 HydrophobicContact CG2-CD1 4.26Å; T208-F210 HydrophobicContact CG2-CD2 3.73Å; T208-F210 HydrophobicContact CG2-CE1 3.97Å; T208-F210 HydrophobicContact CG2-CE2 3.4Å; T208-F210 VanDerWaalsContact CG2-CE2 3.4Å; T208-F210 HydrophobicContact CG2-CG 4.16Å; T208-F210 HydrophobicContact CG2-CZ 3.55Å |
| 209 | N | 96.9 | Very high | 93.6 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.8 | 169.5 | 179.7 | 17.2 | 0 | 0 | 0 | 108.5 | E94 G211 Q212 H213 F215 | E94-N209 PolarHBondContact N-O 3.17Å; E94-N209 PolarHBondContact O-N 3.46Å; N209-G211 WeakPolarHBondContact OD1-CA 3.38Å; N209-G211 PolarHBondContact OD1-N 3.43Å; N209-Q212 PolarHBondContact OD1-N 3.21Å; N209-Q212 VanDerWaalsContact OD1-N 3.09Å; N209-H213 PolarHBondContact ND2-O 3.03Å; N209-H213 PolarHBondContact OD1-N 2.91Å; N209-H213 PolarHBondContact OD1-O 3.42Å; N209-F215 WeakPolarHBondContact ND2-CD1 3.49Å |
| 210 | F | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -98.4 | 13.5 | 173.8 | -68.5 | -75.3 | 0 | 0 | 0 | 112.1 | F14 W18 P35 R36 W38 L54 F93 P195 T208 | F14-F210 HydrophobicContact CE2-CB 4.22Å; F14-F210 VanDerWaalsContact CE2-O 3.24Å; F14-F210 WeakPolarHBondContact CE2-O 3.48Å; W18-F210 VanDerWaalsContact CZ2-O 3.29Å; W18-F210 WeakPolarHBondContact CZ2-O 3.35Å; W18-F210 PolarHBondContact NE1-O 3.11Å; P35-F210 HydrophobicContact CB-CD1 4.24Å; P35-F210 HydrophobicContact CB-CE1 4.41Å; R36-F210 VanDerWaalsContact O-CD2 3.25Å; R36-F210 WeakPolarHBondContact O-CD2 3.33Å; W38-F210 HydrophobicContact CD2-CE2 4.36Å; W38-F210 HydrophobicContact CD2-CZ 4.02Å; W38-F210 AromaticContact CE2-CZ 3.79Å; W38-F210 HydrophobicContact CE3-CZ 4.18Å; W38-F210 HydrophobicContact CH2-CE1 4.45Å; W38-F210 AromaticContact CH2-CZ 3.88Å; W38-F210 HydrophobicContact CH2-CZ 3.88Å; W38-F210 HydrophobicContact CZ2-CE2 4.4Å; W38-F210 AromaticContact CZ2-CZ 3.73Å; W38-F210 HydrophobicContact CZ2-CZ 3.73Å; W38-F210 HydrophobicContact CZ3-CZ 4.12Å; L54-F210 HydrophobicContact CD2-CD2 3.86Å; L54-F210 HydrophobicContact CD2-CE2 4.2Å; F93-F210 HydrophobicContact CB-CD1 3.87Å; F93-F210 HydrophobicContact CB-CE1 4.34Å; F93-F210 HydrophobicContact CD2-CE1 4.19Å; F93-F210 HydrophobicContact CG-CD1 4.29Å; F93-F210 HydrophobicContact CG-CE1 4.26Å; P195-F210 HydrophobicContact CB-CE1 3.78Å; P195-F210 HydrophobicContact CB-CZ 4.48Å; P195-F210 HydrophobicContact CG-CE1 4.09Å; T208-F210 HydrophobicContact CG2-CD1 4.26Å; T208-F210 HydrophobicContact CG2-CD2 3.73Å; T208-F210 HydrophobicContact CG2-CE1 3.97Å; T208-F210 HydrophobicContact CG2-CE2 3.4Å; T208-F210 VanDerWaalsContact CG2-CE2 3.4Å; T208-F210 HydrophobicContact CG2-CG 4.16Å; T208-F210 HydrophobicContact CG2-CZ 3.55Å |
| 211 | G | 91.8 | Very high | 93 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 108.4 | 11.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F17 N209 H213 | F17-G211 WeakPolarHBondContact CD1-O 3.35Å; N209-G211 WeakPolarHBondContact OD1-CA 3.38Å; N209-G211 PolarHBondContact OD1-N 3.43Å; G211-H213 PolarHBondContact O-N 3.05Å |
| 212 | Q | 87.7 | Confident | 93.1 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -67.6 | -25.9 | 168.9 | -66.4 | 84.6 | 2.2 | 0 | 0 | 112.4 | F14 R36 N209 | F14-Q212 HydrophobicContact CD2-CG 4.29Å; R36-Q212 PolarHBondContact O-NE2 3.44Å; N209-Q212 PolarHBondContact OD1-N 3.21Å; N209-Q212 VanDerWaalsContact OD1-N 3.09Å |
| 213 | H | 90 | Very high | 93.1 | Very high | 116 Ų | 116 | 44.5 Ų | 44.5 | 54% | 0.537 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -132.1 | 157.1 | 179.7 | -59.7 | -30.9 | 0 | 0 | 0 | 109.4 | N209 G211 F215 | N209-H213 PolarHBondContact ND2-O 3.03Å; N209-H213 PolarHBondContact OD1-N 2.91Å; N209-H213 PolarHBondContact OD1-O 3.42Å; G211-H213 PolarHBondContact O-N 3.05Å; H213-F215 PolarHBondContact O-N 3.44Å |
| 214 | P | 90.7 | Very high | 92.8 | Very high | 109 Ų | 109 | 47.8 Ų | 47.8 | 71% | 0.708 | 24% | 0.238 | S | C | * | . | trans | -52.4 | 135.5 | 170.8 | -25.5 | 35.1 | 0 | 0 | 0 | 111.3 | ||||
| 215 | F | 95.4 | Very high | 92.5 | Very high | 24 Ų | 24 | 52 Ų | 52 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | trans | -69.6 | 149.4 | 173.2 | -65.4 | -55.3 | 0 | 0 | 0 | 111.1 | F17 W18 Y92 E94 N209 H213 F217 F219 | F17-F215 HydrophobicContact CE1-CD2 4.16Å; F17-F215 AromaticContact CE1-CE2 3.64Å; F17-F215 HydrophobicContact CE1-CE2 3.64Å; F17-F215 HydrophobicContact CE1-CZ 4.31Å; F17-F215 AromaticContact CZ-CD2 3.76Å; F17-F215 HydrophobicContact CZ-CD2 3.76Å; F17-F215 AromaticContact CZ-CE2 3.74Å; F17-F215 HydrophobicContact CZ-CE2 3.74Å; W18-F215 AromaticContact CH2-CE2 3.72Å; W18-F215 HydrophobicContact CH2-CE2 3.72Å; W18-F215 AromaticContact CH2-CZ 3.91Å; W18-F215 HydrophobicContact CH2-CZ 3.91Å; W18-F215 HydrophobicContact CZ2-CE2 4.03Å; W18-F215 AromaticContact CZ2-CZ 3.82Å; W18-F215 HydrophobicContact CZ2-CZ 3.82Å; W18-F215 HydrophobicContact CZ3-CE2 4.49Å; Y92-F215 HydrophobicContact CD1-CB 4.5Å; Y92-F215 AromaticContact CD1-CD1 3.97Å; Y92-F215 HydrophobicContact CD1-CD1 3.97Å; Y92-F215 AromaticContact CD1-CD2 3.66Å; Y92-F215 HydrophobicContact CD1-CD2 3.66Å; Y92-F215 HydrophobicContact CD1-CE1 4.04Å; Y92-F215 AromaticContact CD1-CE2 3.74Å; Y92-F215 HydrophobicContact CD1-CE2 3.74Å; Y92-F215 AromaticContact CD1-CG 3.79Å; Y92-F215 HydrophobicContact CD1-CG 3.79Å; Y92-F215 AromaticContact CD1-CZ 3.93Å; Y92-F215 HydrophobicContact CD1-CZ 3.93Å; Y92-F215 HydrophobicContact CE1-CB 3.96Å; Y92-F215 AromaticContact CE1-CD1 3.82Å; Y92-F215 HydrophobicContact CE1-CD1 3.82Å; Y92-F215 AromaticContact CE1-CD2 3.99Å; Y92-F215 HydrophobicContact CE1-CD2 3.99Å; Y92-F215 HydrophobicContact CE1-CE1 4.3Å; Y92-F215 HydrophobicContact CE1-CE2 4.45Å; Y92-F215 AromaticContact CE1-CG 3.66Å; Y92-F215 HydrophobicContact CE1-CG 3.66Å; Y92-F215 WeakPolarHBondContact O-CZ 3.18Å; E94-F215 HydrophobicContact CB-CD1 4.15Å; E94-F215 HydrophobicContact CG-CD1 3.75Å; E94-F215 HydrophobicContact CG-CE1 4.38Å; E94-F215 HydrophobicContact CG-CG 4.5Å; E94-F215 WeakPolarHBondContact OE2-CA 3.26Å; N209-F215 WeakPolarHBondContact ND2-CD1 3.49Å; H213-F215 PolarHBondContact O-N 3.44Å; F215-F217 VanDerWaalsContact C-N 3.32Å; F215-F217 WeakPolarHBondContact CB-O 3.12Å; F215-F219 HydrophobicContact CD2-CB 4.15Å; F215-F219 HydrophobicContact CE2-CD1 4.49Å | ||
| 216 | Y | 96.2 | Very high | 91.9 | Very high | 151 Ų | 151 | 47.7 Ų | 47.7 | 59% | 0.592 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -71.7 | -31.9 | 171.5 | -161 | -72.2 | 0 | 0 | 0 | 110.5 | E94 I156 N173 G174 | E94-Y216 PolarHBondContact OE1-N 2.97Å; E94-Y216 PolarHBondContact OE2-N 2.93Å; I156-Y216 HydrophobicContact CD1-CD2 3.6Å; I156-Y216 HydrophobicContact CD1-CE2 4.34Å; I156-Y216 HydrophobicContact CD1-CG 4Å; N173-Y216 VanDerWaalsContact C-CE1 3.44Å; N173-Y216 VanDerWaalsContact O-CE1 3.27Å; N173-Y216 WeakPolarHBondContact O-CE1 3.46Å; G174-Y216 VanDerWaalsContact N-CD1 3.35Å |
| 217 | F | 97.3 | Very high | 90.8 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 9% | 0.088 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -74.2 | 138.4 | 167 | -178.8 | -128.7 | 0 | 0 | 0 | 112.1 | Y92 E94 F169 T171 G174 F176 F215 F219 H222 | Y92-F217 HydrophobicContact CD2-CD1 4.48Å; Y92-F217 HydrophobicContact CE1-CB 4.01Å; Y92-F217 HydrophobicContact CE1-CD1 4.06Å; Y92-F217 AromaticContact CE2-CD1 3.91Å; Y92-F217 HydrophobicContact CE2-CD1 3.91Å; Y92-F217 AromaticContact CZ-CD1 3.67Å; Y92-F217 WeakPolarHBondContact OH-CB 3.36Å; E94-F217 WeakPolarHBondContact OE1-CB 3.36Å; E94-F217 PolarHBondContact OE1-N 3.19Å; F169-F217 AromaticContact CE2-CE1 3.89Å; F169-F217 HydrophobicContact CE2-CE1 3.89Å; F169-F217 HydrophobicContact CZ-CE1 4.4Å; T171-F217 HydrophobicContact CG2-CB 4.25Å; T171-F217 HydrophobicContact CG2-CD1 3.88Å; T171-F217 HydrophobicContact CG2-CD2 3.95Å; T171-F217 HydrophobicContact CG2-CE1 4.12Å; T171-F217 HydrophobicContact CG2-CE2 4.2Å; T171-F217 HydrophobicContact CG2-CG 3.78Å; T171-F217 HydrophobicContact CG2-CZ 4.27Å; G174-F217 WeakPolarHBondContact O-CD2 3.42Å; F176-F217 HydrophobicContact CB-CE2 4.03Å; F176-F217 HydrophobicContact CB-CZ 4.32Å; F176-F217 HydrophobicContact CD2-CZ 4Å; F215-F217 VanDerWaalsContact C-N 3.32Å; F215-F217 WeakPolarHBondContact CB-O 3.12Å; F217-F219 HydrophobicContact CD1-CB 4.04Å; F217-F219 HydrophobicContact CD1-CD2 4.34Å; F217-F219 HydrophobicContact CE1-CD2 4.27Å; F217-F219 PolarHBondContact O-N 2.9Å; F217-H222 HydrophobicContact CE1-CB 3.68Å; F217-H222 AromaticContact CE1-CG 3.85Å; F217-H222 HydrophobicContact CZ-CB 3.63Å; F217-H222 AromaticContact CZ-CG 3.77Å |
| 218 | A | 93.9 | Very high | 89.6 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | trans | -73.5 | 58.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E220 N221 H222 | A218-E220 VanDerWaalsContact C-N 3.26Å; A218-E220 PolarHBondContact O-N 3.4Å; A218-N221 HydrophobicContact CB-CB 4.36Å; A218-N221 PolarHBondContact O-N 3.46Å; A218-H222 PolarHBondContact O-N 3.37Å; A218-H222 VanDerWaalsContact O-N 3.13Å | ||
| 219 | F | 92.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 2% | 0.022 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56 | -35.4 | -172.7 | -178.9 | -113.7 | 0 | 0 | 0 | 113.4 | W18 I90 Y92 F169 F215 F217 N221 H222 L223 | W18-F219 HydrophobicContact CH2-CE1 4.35Å; W18-F219 HydrophobicContact CZ3-CD1 4.48Å; W18-F219 AromaticContact CZ3-CE1 3.92Å; W18-F219 HydrophobicContact CZ3-CE1 3.92Å; I90-F219 HydrophobicContact CG2-CE2 4.08Å; I90-F219 HydrophobicContact CG2-CZ 4.3Å; Y92-F219 HydrophobicContact CD1-CB 4.26Å; Y92-F219 HydrophobicContact CD1-CD2 4.08Å; Y92-F219 HydrophobicContact CD1-CG 4.13Å; Y92-F219 HydrophobicContact CD2-CD2 4.35Å; Y92-F219 AromaticContact CG-CD2 3.77Å; Y92-F219 HydrophobicContact CG-CD2 3.77Å; Y92-F219 HydrophobicContact CG-CE2 4.06Å; Y92-F219 HydrophobicContact CG-CG 4.26Å; F169-F219 HydrophobicContact CZ-CD2 4.48Å; F169-F219 HydrophobicContact CZ-CE2 4.24Å; F215-F219 HydrophobicContact CD2-CB 4.15Å; F215-F219 HydrophobicContact CE2-CD1 4.49Å; F217-F219 HydrophobicContact CD1-CB 4.04Å; F217-F219 HydrophobicContact CD1-CD2 4.34Å; F217-F219 HydrophobicContact CE1-CD2 4.27Å; F217-F219 PolarHBondContact O-N 2.9Å; F219-N221 VanDerWaalsContact C-N 3.33Å; F219-N221 PolarHBondContact O-N 3.04Å; F219-H222 WeakPolarHBondContact O-CB 3.23Å; F219-H222 PolarHBondContact O-N 3.14Å; F219-L223 HydrophobicContact CD1-CD1 4.04Å; F219-L223 HydrophobicContact CD1-CG 4.34Å; F219-L223 HydrophobicContact CE1-CD1 3.53Å; F219-L223 HydrophobicContact CE1-CD2 4.26Å; F219-L223 HydrophobicContact CE1-CG 3.89Å; F219-L223 HydrophobicContact CE2-CD2 4.17Å; F219-L223 HydrophobicContact CE2-CG 4.18Å; F219-L223 HydrophobicContact CZ-CD1 3.91Å; F219-L223 HydrophobicContact CZ-CD2 3.74Å; F219-L223 HydrophobicContact CZ-CG 3.81Å; F219-L223 PolarHBondContact O-N 3.32Å |
| 220 | E | 87.5 | Confident | 87.5 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 173.7 | 178.5 | 170 | 164.9 | 0 | 0 | 113 | K20 F21 A218 K224 | K20-E220 WeakPolarHBondContact CE-OE2 3.34Å; K20-E220 VanDerWaalsContact NZ-CD 3.35Å; K20-E220 IonicContact NZ-OE1 3.43Å; K20-E220 PolarHBondContact NZ-OE1 2.72Å; K20-E220 IonicContact NZ-OE2 3.58Å; K20-E220 PolarHBondContact NZ-OE2 3.07Å; F21-E220 HydrophobicContact CE1-CB 3.7Å; F21-E220 HydrophobicContact CE1-CG 3.9Å; F21-E220 HydrophobicContact CZ-CB 4.06Å; A218-E220 VanDerWaalsContact C-N 3.26Å; A218-E220 PolarHBondContact O-N 3.4Å; E220-K224 HydrophobicContact CG-CD 4.35Å; E220-K224 VanDerWaalsContact O-CG 3.32Å; E220-K224 WeakPolarHBondContact O-CG 3.5Å; E220-K224 PolarHBondContact O-N 3.02Å; E220-K224 VanDerWaalsContact O-N 3.09Å; E220-K224 WeakPolarHBondContact OE1-CE 3.1Å; E220-K224 IonicContact OE1-NZ 3.87Å; E220-K224 PolarHBondContact OE1-NZ 3.19Å |
| 221 | N | 89.9 | Confident | 86.2 | Confident | 94 Ų | 94 | 64.8 Ų | 64.8 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74.3 | -32.8 | 177.8 | -69.2 | -11.8 | 0 | 0 | 0 | 111.1 | A218 F219 K224 T225 | A218-N221 HydrophobicContact CB-CB 4.36Å; A218-N221 PolarHBondContact O-N 3.46Å; F219-N221 VanDerWaalsContact C-N 3.33Å; F219-N221 PolarHBondContact O-N 3.04Å; N221-K224 PolarHBondContact O-N 2.93Å; N221-T225 WeakPolarHBondContact O-CB 3.46Å; N221-T225 PolarHBondContact O-N 3.32Å; N221-T225 PolarHBondContact O-OG1 3.26Å |
| 222 | H | 90.5 | Very high | 85.2 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 170.7 | -174.9 | 67.5 | 0 | 0 | 0 | 111.7 | F169 F176 F217 A218 F219 K224 T225 E226 | F169-H222 AromaticContact CD1-NE2 3.99Å; F169-H222 AromaticContact CE1-CD2 3.93Å; F169-H222 AromaticContact CE1-NE2 3.42Å; F169-H222 WeakPolarHBondContact CE1-NE2 3.31Å; F169-H222 AromaticContact CZ-CD2 3.59Å; F169-H222 AromaticContact CZ-NE2 3.51Å; F176-H222 AromaticContact CE2-CE1 3.52Å; F217-H222 HydrophobicContact CE1-CB 3.68Å; F217-H222 AromaticContact CE1-CG 3.85Å; F217-H222 HydrophobicContact CZ-CB 3.63Å; F217-H222 AromaticContact CZ-CG 3.77Å; A218-H222 PolarHBondContact O-N 3.37Å; A218-H222 VanDerWaalsContact O-N 3.13Å; F219-H222 WeakPolarHBondContact O-CB 3.23Å; F219-H222 PolarHBondContact O-N 3.14Å; H222-K224 PolarHBondContact O-N 3.16Å; H222-T225 PolarHBondContact O-N 2.94Å; H222-E226 WeakPolarHBondContact O-CB 3.39Å; H222-E226 WeakPolarHBondContact O-CG 3.31Å; H222-E226 PolarHBondContact O-N 3.26Å |
| 223 | L | 87 | Confident | 84.4 | Confident | 38 Ų | 38 | 71.3 Ų | 71.3 | 20% | 0.199 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 174.8 | -72.4 | 178.4 | 0 | 0 | 0 | 112.4 | F21 I90 F219 T225 R227 | F21-L223 HydrophobicContact CB-CD1 4.22Å; F21-L223 HydrophobicContact CD1-CD1 3.51Å; F21-L223 HydrophobicContact CE1-CD1 4.19Å; F21-L223 HydrophobicContact CG-CD1 4.07Å; I90-L223 HydrophobicContact CB-CD2 3.84Å; I90-L223 HydrophobicContact CD1-CD2 4.27Å; I90-L223 HydrophobicContact CG1-CD2 4.46Å; I90-L223 HydrophobicContact CG2-CD2 4.27Å; F219-L223 HydrophobicContact CD1-CD1 4.04Å; F219-L223 HydrophobicContact CD1-CG 4.34Å; F219-L223 HydrophobicContact CE1-CD1 3.53Å; F219-L223 HydrophobicContact CE1-CD2 4.26Å; F219-L223 HydrophobicContact CE1-CG 3.89Å; F219-L223 HydrophobicContact CE2-CD2 4.17Å; F219-L223 HydrophobicContact CE2-CG 4.18Å; F219-L223 HydrophobicContact CZ-CD1 3.91Å; F219-L223 HydrophobicContact CZ-CD2 3.74Å; F219-L223 HydrophobicContact CZ-CG 3.81Å; F219-L223 PolarHBondContact O-N 3.32Å; L223-T225 PolarHBondContact O-N 2.86Å; L223-R227 VanDerWaalsContact O-CB 3.24Å; L223-R227 WeakPolarHBondContact O-CB 3.41Å; L223-R227 PolarHBondContact O-N 2.79Å |
| 224 | K | 82.5 | Confident | 83.2 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 175.9 | -70.9 | 168 | -171.9 | 169.7 | 0 | 111.7 | E220 N221 H222 R227 I228 | E220-K224 HydrophobicContact CG-CD 4.35Å; E220-K224 VanDerWaalsContact O-CG 3.32Å; E220-K224 WeakPolarHBondContact O-CG 3.5Å; E220-K224 PolarHBondContact O-N 3.02Å; E220-K224 VanDerWaalsContact O-N 3.09Å; E220-K224 WeakPolarHBondContact OE1-CE 3.1Å; E220-K224 IonicContact OE1-NZ 3.87Å; E220-K224 PolarHBondContact OE1-NZ 3.19Å; N221-K224 PolarHBondContact O-N 2.93Å; H222-K224 PolarHBondContact O-N 3.16Å; K224-R227 PolarHBondContact O-N 2.93Å; K224-I228 WeakPolarHBondContact O-CB 3.14Å; K224-I228 WeakPolarHBondContact O-CD1 3.3Å; K224-I228 VanDerWaalsContact O-CG1 3.24Å; K224-I228 WeakPolarHBondContact O-CG1 3.24Å; K224-I228 PolarHBondContact O-N 2.96Å |
| 225 | T | 87.3 | Confident | 82 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 53% | 0.534 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.8 | -44.6 | -179.6 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | N221 H222 L223 R227 I228 S229 | N221-T225 WeakPolarHBondContact O-CB 3.46Å; N221-T225 PolarHBondContact O-N 3.32Å; N221-T225 PolarHBondContact O-OG1 3.26Å; H222-T225 PolarHBondContact O-N 2.94Å; L223-T225 PolarHBondContact O-N 2.86Å; T225-R227 VanDerWaalsContact C-N 3.31Å; T225-R227 PolarHBondContact O-N 3.11Å; T225-I228 PolarHBondContact O-N 3.5Å; T225-S229 WeakPolarHBondContact O-CB 3.34Å; T225-S229 PolarHBondContact O-N 3.27Å |
| 226 | E | 83.7 | Confident | 80.6 | Confident | 29 Ų | 29 | 72.3 Ų | 72.3 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.3 | -31.6 | 177.1 | -78.8 | -66.9 | 122.3 | 0 | 0 | 112.5 | I90 K179 H222 R230 | I90-E226 HydrophobicContact CD1-CB 3.94Å; I90-E226 HydrophobicContact CD1-CG 4.2Å; K179-E226 IonicContact NZ-OE1 3.6Å; K179-E226 IonicContact NZ-OE2 2.68Å; K179-E226 PolarHBondContact NZ-OE2 3.45Å; H222-E226 WeakPolarHBondContact O-CB 3.39Å; H222-E226 WeakPolarHBondContact O-CG 3.31Å; H222-E226 PolarHBondContact O-N 3.26Å; E226-R230 WeakPolarHBondContact O-CG 3.3Å; E226-R230 PolarHBondContact O-N 2.96Å; E226-R230 PolarHBondContact O-NH1 2.98Å; E226-R230 IonicContact OE2-CZ 3.79Å; E226-R230 IonicContact OE2-NH1 3.59Å; E226-R230 PolarHBondContact OE2-NH1 3.28Å; E226-R230 IonicContact OE2-NH2 2.71Å; E226-R230 PolarHBondContact OE2-NH2 3.15Å |
| 227 | R | 75.6 | Confident | 79.1 | Confident | 165 Ų | 165 | 72.2 Ų | 72.2 | 62% | 0.623 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67 | -57.8 | 169.6 | 177.1 | 177.8 | 171.7 | 169.5 | 2.6 | 111.2 | L223 K224 T225 S229 R230 E231 | L223-R227 VanDerWaalsContact O-CB 3.24Å; L223-R227 WeakPolarHBondContact O-CB 3.41Å; L223-R227 PolarHBondContact O-N 2.79Å; K224-R227 PolarHBondContact O-N 2.93Å; T225-R227 VanDerWaalsContact C-N 3.31Å; T225-R227 PolarHBondContact O-N 3.11Å; R227-S229 PolarHBondContact O-N 2.86Å; R227-R230 PolarHBondContact O-N 3.26Å; R227-E231 HydrophobicContact CG-CG 4.33Å; R227-E231 IonicContact CZ-OE1 3.51Å; R227-E231 VanDerWaalsContact CZ-OE1 3.22Å; R227-E231 IonicContact NE-OE1 2.66Å; R227-E231 PolarHBondContact NE-OE1 3.29Å; R227-E231 IonicContact NE-OE2 2.69Å; R227-E231 IonicContact NH2-OE1 3.78Å; R227-E231 PolarHBondContact NH2-OE1 2.98Å; R227-E231 WeakPolarHBondContact O-CG 3.45Å; R227-E231 PolarHBondContact O-N 2.98Å |
| 228 | I | 73.1 | Confident | 77.3 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 43% | 0.426 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58 | -37.2 | -179.8 | -69.5 | 164.7 | 0 | 0 | 0 | 111.2 | K224 T225 N232 | K224-I228 WeakPolarHBondContact O-CB 3.14Å; K224-I228 WeakPolarHBondContact O-CD1 3.3Å; K224-I228 VanDerWaalsContact O-CG1 3.24Å; K224-I228 WeakPolarHBondContact O-CG1 3.24Å; K224-I228 PolarHBondContact O-N 2.96Å; T225-I228 PolarHBondContact O-N 3.5Å; I228-N232 WeakPolarHBondContact CG2-ND2 3.29Å; I228-N232 VanDerWaalsContact O-CB 3.26Å; I228-N232 WeakPolarHBondContact O-CB 3.33Å; I228-N232 VanDerWaalsContact O-CG 3.22Å; I228-N232 PolarHBondContact O-N 2.91Å; I228-N232 PolarHBondContact O-ND2 2.84Å; I228-N232 VanDerWaalsContact O-ND2 3.11Å |
| 229 | S | 76.9 | Confident | 75.8 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 174.4 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | T225 R227 K233 | T225-S229 WeakPolarHBondContact O-CB 3.34Å; T225-S229 PolarHBondContact O-N 3.27Å; R227-S229 PolarHBondContact O-N 2.86Å; S229-K233 VanDerWaalsContact O-CB 3.27Å; S229-K233 WeakPolarHBondContact O-CB 3.33Å; S229-K233 WeakPolarHBondContact O-CD 3.4Å; S229-K233 WeakPolarHBondContact O-CG 3.48Å; S229-K233 PolarHBondContact O-N 3.38Å |
| 230 | R | 73.3 | Confident | 74.3 | Confident | 66 Ų | 66 | 79.4 Ų | 79.4 | 25% | 0.249 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 174.8 | -77.9 | 173.5 | -177.2 | 71.4 | -4.8 | 112.3 | D162 E226 R227 K233 L234 | D162-R230 IonicContact OD1-NH2 2.64Å; D162-R230 PolarHBondContact OD1-NH2 2.6Å; D162-R230 IonicContact OD2-CZ 3.06Å; D162-R230 IonicContact OD2-NH2 3.48Å; D162-R230 PolarHBondContact OD2-NH2 2.89Å; E226-R230 WeakPolarHBondContact O-CG 3.3Å; E226-R230 PolarHBondContact O-N 2.96Å; E226-R230 PolarHBondContact O-NH1 2.98Å; E226-R230 IonicContact OE2-CZ 3.79Å; E226-R230 IonicContact OE2-NH1 3.59Å; E226-R230 PolarHBondContact OE2-NH1 3.28Å; E226-R230 IonicContact OE2-NH2 2.71Å; E226-R230 PolarHBondContact OE2-NH2 3.15Å; R227-R230 PolarHBondContact O-N 3.26Å; R230-K233 CarbonylContact O-C 3.18Å; R230-K233 PolarHBondContact O-N 3Å; R230-L234 WeakPolarHBondContact O-CB 3.48Å; R230-L234 PolarHBondContact O-N 3.4Å |
| 231 | E | 68.1 | Low | 72.7 | Confident | 74 Ų | 74 | 81.5 Ų | 81.5 | 35% | 0.346 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | 177.7 | -72.1 | 171 | 154.9 | 0 | 0 | 110.9 | R227 K233 L234 I235 | R227-E231 HydrophobicContact CG-CG 4.33Å; R227-E231 IonicContact CZ-OE1 3.51Å; R227-E231 VanDerWaalsContact CZ-OE1 3.22Å; R227-E231 IonicContact NE-OE1 2.66Å; R227-E231 PolarHBondContact NE-OE1 3.29Å; R227-E231 IonicContact NE-OE2 2.69Å; R227-E231 IonicContact NH2-OE1 3.78Å; R227-E231 PolarHBondContact NH2-OE1 2.98Å; R227-E231 WeakPolarHBondContact O-CG 3.45Å; R227-E231 PolarHBondContact O-N 2.98Å; E231-K233 PolarHBondContact O-N 2.92Å; E231-L234 WeakPolarHBondContact O-CB 3.36Å; E231-L234 PolarHBondContact O-N 2.94Å; E231-L234 VanDerWaalsContact O-N 3.15Å; E231-I235 VanDerWaalsContact O-CG1 3.29Å; E231-I235 WeakPolarHBondContact O-CG1 3.36Å; E231-I235 PolarHBondContact O-N 2.88Å |
| 232 | N | 70 | Confident | 71 | Confident | 51 Ų | 51 | 84.4 Ų | 84.4 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 174.1 | -73.4 | -35.7 | 0 | 0 | 0 | 111.8 | I228 L234 I235 E236 R991 | I228-N232 WeakPolarHBondContact CG2-ND2 3.29Å; I228-N232 VanDerWaalsContact O-CB 3.26Å; I228-N232 WeakPolarHBondContact O-CB 3.33Å; I228-N232 VanDerWaalsContact O-CG 3.22Å; I228-N232 PolarHBondContact O-N 2.91Å; I228-N232 PolarHBondContact O-ND2 2.84Å; I228-N232 VanDerWaalsContact O-ND2 3.11Å; N232-L234 VanDerWaalsContact C-N 3.26Å; N232-L234 PolarHBondContact O-N 3.29Å; N232-I235 PolarHBondContact O-N 3.27Å; N232-E236 VanDerWaalsContact O-CB 3.23Å; N232-E236 WeakPolarHBondContact O-CB 3.31Å; N232-E236 PolarHBondContact O-N 3.28Å; N232-R991 PolarHBondContact OD1-NH2 3.34Å |
| 233 | K | 72.1 | Confident | 69.1 | Low | 112 Ų | 112 | 84 Ų | 84 | 49% | 0.487 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.3 | -19.1 | 177.4 | -75 | 173.2 | -178.2 | 178.3 | 0 | 114.1 | S229 R230 E231 R237 | S229-K233 VanDerWaalsContact O-CB 3.27Å; S229-K233 WeakPolarHBondContact O-CB 3.33Å; S229-K233 WeakPolarHBondContact O-CD 3.4Å; S229-K233 WeakPolarHBondContact O-CG 3.48Å; S229-K233 PolarHBondContact O-N 3.38Å; R230-K233 CarbonylContact O-C 3.18Å; R230-K233 PolarHBondContact O-N 3Å; E231-K233 PolarHBondContact O-N 2.92Å; K233-R237 PolarHBondContact O-NE 3.48Å; K233-R237 PolarHBondContact O-NH2 3.05Å |
| 234 | L | 64.9 | Low | 67.4 | Low | 94 Ų | 94 | 84.8 Ų | 84.8 | 49% | 0.492 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -79.7 | -55.4 | 171.8 | 179.4 | 61 | 0 | 0 | 0 | 108.7 | R230 E231 N232 E236 R237 T238 | R230-L234 WeakPolarHBondContact O-CB 3.48Å; R230-L234 PolarHBondContact O-N 3.4Å; E231-L234 WeakPolarHBondContact O-CB 3.36Å; E231-L234 PolarHBondContact O-N 2.94Å; E231-L234 VanDerWaalsContact O-N 3.15Å; N232-L234 VanDerWaalsContact C-N 3.26Å; N232-L234 PolarHBondContact O-N 3.29Å; L234-E236 VanDerWaalsContact C-N 3.28Å; L234-E236 PolarHBondContact O-N 2.95Å; L234-R237 PolarHBondContact O-N 2.88Å; L234-T238 WeakPolarHBondContact O-CB 3.45Å; L234-T238 PolarHBondContact O-N 2.8Å; L234-T238 PolarHBondContact O-OG1 3.44Å |
| 235 | I | 65.2 | Low | 66.4 | Low | 75 Ų | 75 | 81.4 Ų | 81.4 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -51.9 | -46.3 | 175.6 | -66 | 163.2 | 0 | 0 | 0 | 110.9 | E231 N232 R237 T238 C239 | E231-I235 VanDerWaalsContact O-CG1 3.29Å; E231-I235 WeakPolarHBondContact O-CG1 3.36Å; E231-I235 PolarHBondContact O-N 2.88Å; N232-I235 PolarHBondContact O-N 3.27Å; I235-R237 VanDerWaalsContact C-N 3.34Å; I235-R237 PolarHBondContact O-N 2.87Å; I235-T238 PolarHBondContact O-N 2.82Å; I235-C239 VanDerWaalsContact O-CB 3.3Å; I235-C239 WeakPolarHBondContact O-CB 3.27Å; I235-C239 PolarHBondContact O-N 3.26Å; I235-C239 PolarHBondContact O-SG 3.46Å; I235-C239 VanDerWaalsContact O-SG 3.36Å |
| 236 | E | 66.1 | Low | 65.3 | Low | 100 Ų | 100 | 82.8 Ų | 82.8 | 47% | 0.467 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 179.8 | -170.4 | -170.2 | 169 | 0 | 0 | 112.8 | N232 L234 K240 | N232-E236 VanDerWaalsContact O-CB 3.23Å; N232-E236 WeakPolarHBondContact O-CB 3.31Å; N232-E236 PolarHBondContact O-N 3.28Å; L234-E236 VanDerWaalsContact C-N 3.28Å; L234-E236 PolarHBondContact O-N 2.95Å; E236-K240 HydrophobicContact CG-CD 4.09Å; E236-K240 VanDerWaalsContact O-CB 3.26Å; E236-K240 WeakPolarHBondContact O-CB 3.34Å; E236-K240 WeakPolarHBondContact O-CD 3.45Å; E236-K240 WeakPolarHBondContact O-CG 3.21Å; E236-K240 PolarHBondContact O-N 2.84Å; E236-K240 VanDerWaalsContact O-N 3.16Å; E236-K240 IonicContact OE1-NZ 3.08Å; E236-K240 PolarHBondContact OE1-NZ 3.22Å |
| 237 | R | 63.9 | Low | 64.6 | Low | 150 Ų | 150 | 85 Ų | 85 | 57% | 0.566 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -70.8 | -51.9 | 173.9 | -83.5 | 177.2 | -81.8 | 175.6 | -6.6 | 110.9 | K233 L234 I235 C239 K240 E241 | K233-R237 PolarHBondContact O-NE 3.48Å; K233-R237 PolarHBondContact O-NH2 3.05Å; L234-R237 PolarHBondContact O-N 2.88Å; I235-R237 VanDerWaalsContact C-N 3.34Å; I235-R237 PolarHBondContact O-N 2.87Å; R237-C239 PolarHBondContact O-N 2.98Å; R237-C239 VanDerWaalsContact O-N 3.14Å; R237-K240 PolarHBondContact O-N 3.5Å; R237-E241 PolarHBondContact O-N 2.91Å |
| 238 | T | 59.6 | Low | 64.5 | Low | 44 Ų | 44 | 80.9 Ų | 80.9 | 27% | 0.27 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -55.9 | -29.9 | 178.4 | -59.2 | 0 | 0 | 0 | 0 | 113 | L234 I235 L243 | L234-T238 WeakPolarHBondContact O-CB 3.45Å; L234-T238 PolarHBondContact O-N 2.8Å; L234-T238 PolarHBondContact O-OG1 3.44Å; I235-T238 PolarHBondContact O-N 2.82Å; T238-L243 HydrophobicContact CG2-CD2 3.44Å; T238-L243 VanDerWaalsContact CG2-CD2 3.44Å; T238-L243 WeakPolarHBondContact O-CB 3.49Å; T238-L243 VanDerWaalsContact O-CD2 3.25Å; T238-L243 WeakPolarHBondContact O-CD2 3.37Å |
| 239 | C | 61.8 | Low | 64.6 | Low | 53 Ų | 53 | 79.5 Ų | 79.5 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -94.7 | -12.6 | 176 | -65.9 | 0 | 0 | 0 | 0 | 114.9 | I235 R237 A244 | I235-C239 VanDerWaalsContact O-CB 3.3Å; I235-C239 WeakPolarHBondContact O-CB 3.27Å; I235-C239 PolarHBondContact O-N 3.26Å; I235-C239 PolarHBondContact O-SG 3.46Å; I235-C239 VanDerWaalsContact O-SG 3.36Å; R237-C239 PolarHBondContact O-N 2.98Å; R237-C239 VanDerWaalsContact O-N 3.14Å; C239-A244 WeakPolarHBondContact O-CB 3.25Å |
| 240 | K | 62.1 | Low | 64.5 | Low | 137 Ų | 137 | 81.6 Ų | 81.6 | 60% | 0.596 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -90.2 | -27 | 175 | -82.1 | 177 | 175.2 | 177.8 | 0 | 113.3 | E236 R237 | E236-K240 HydrophobicContact CG-CD 4.09Å; E236-K240 VanDerWaalsContact O-CB 3.26Å; E236-K240 WeakPolarHBondContact O-CB 3.34Å; E236-K240 WeakPolarHBondContact O-CD 3.45Å; E236-K240 WeakPolarHBondContact O-CG 3.21Å; E236-K240 PolarHBondContact O-N 2.84Å; E236-K240 VanDerWaalsContact O-N 3.16Å; E236-K240 IonicContact OE1-NZ 3.08Å; E236-K240 PolarHBondContact OE1-NZ 3.22Å; R237-K240 PolarHBondContact O-N 3.5Å |
| 241 | E | 54.1 | Low | 64.6 | Low | 101 Ų | 101 | 79.6 Ų | 79.6 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -70.4 | 161.2 | 162.6 | -66 | 169.1 | -134.9 | 0 | 0 | 109.3 | R237 L243 Y714 | R237-E241 PolarHBondContact O-N 2.91Å; E241-L243 PolarHBondContact O-N 3.41Å; E241-Y714 PolarHBondContact OE2-OH 2.89Å |
| 242 | D | 52.9 | Low | 65.3 | Low | 154 Ų | 154 | 78 Ų | 78 | 82% | 0.824 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -58.6 | -1.1 | -164.4 | -66.3 | -57 | 0 | 0 | 0 | 117.2 | A244 G245 | D242-A244 VanDerWaalsContact C-N 3.32Å; D242-A244 PolarHBondContact O-N 2.95Å; D242-G245 WeakPolarHBondContact O-CA 3.26Å; D242-G245 PolarHBondContact O-N 2.87Å |
| 243 | L | 50.2 | Low | 65.8 | Low | 14 Ų | 14 | 77.2 Ų | 77.2 | 7% | 0.073 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -52.1 | -41.2 | 177 | -105.8 | 55.4 | 0 | 0 | 0 | 114.3 | T238 E241 G245 I248 L713 Y714 | T238-L243 HydrophobicContact CG2-CD2 3.44Å; T238-L243 VanDerWaalsContact CG2-CD2 3.44Å; T238-L243 WeakPolarHBondContact O-CB 3.49Å; T238-L243 VanDerWaalsContact O-CD2 3.25Å; T238-L243 WeakPolarHBondContact O-CD2 3.37Å; E241-L243 PolarHBondContact O-N 3.41Å; L243-G245 PolarHBondContact O-N 3.21Å; L243-I248 WeakPolarHBondContact O-CB 3.47Å; L243-I248 VanDerWaalsContact O-CG2 3.27Å; L243-I248 WeakPolarHBondContact O-CG2 3.36Å; L243-L713 HydrophobicContact CD1-CB 4.03Å; L243-L713 HydrophobicContact CD2-CB 3.76Å; L243-L713 HydrophobicContact CD2-CD1 3.75Å; L243-L713 HydrophobicContact CD2-CD2 4.24Å; L243-L713 HydrophobicContact CD2-CG 4.12Å; L243-L713 HydrophobicContact CG-CB 3.83Å; L243-L713 HydrophobicContact CG-CD2 4.25Å; L243-L713 HydrophobicContact CG-CG 4.43Å; L243-Y714 HydrophobicContact CD1-CD1 3.86Å; L243-Y714 HydrophobicContact CD1-CD2 3.77Å; L243-Y714 HydrophobicContact CD1-CE1 3.55Å; L243-Y714 HydrophobicContact CD1-CE2 3.49Å; L243-Y714 VanDerWaalsContact CD1-CE2 3.49Å; L243-Y714 HydrophobicContact CD1-CG 3.97Å; L243-Y714 HydrophobicContact CD2-CE2 3.84Å; L243-Y714 HydrophobicContact CG-CE2 4.32Å |
| 244 | A | 53 | Low | 66 | Low | 54 Ų | 54 | 73.2 Ų | 73.2 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -72.3 | -14.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | C239 D242 | C239-A244 WeakPolarHBondContact O-CB 3.25Å; D242-A244 VanDerWaalsContact C-N 3.32Å; D242-A244 PolarHBondContact O-N 2.95Å |
| 245 | G | 60.5 | Low | 66.9 | Low | 28 Ų | 28 | 71.3 Ų | 71.3 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -61.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D242 L243 K249 | D242-G245 WeakPolarHBondContact O-CA 3.26Å; D242-G245 PolarHBondContact O-N 2.87Å; L243-G245 PolarHBondContact O-N 3.21Å; G245-K249 WeakPolarHBondContact O-CD 3.3Å; G245-K249 WeakPolarHBondContact O-CE 3.39Å; G245-K249 PolarHBondContact O-NZ 2.92Å |
| 246 | I | 65.1 | Low | 67.8 | Low | 117 Ų | 117 | 68.4 Ų | 68.4 | 60% | 0.6 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | -57.8 | -168 | -57.9 | 178 | 0 | 0 | 0 | 112.3 | I248 K249 E250 | I246-I248 VanDerWaalsContact C-N 3.34Å; I246-I248 PolarHBondContact O-N 2.81Å; I246-K249 WeakPolarHBondContact O-CA 3.21Å; I246-K249 WeakPolarHBondContact O-CB 3.32Å; I246-K249 PolarHBondContact O-N 3.35Å; I246-E250 HydrophobicContact CG2-CG 4.37Å; I246-E250 PolarHBondContact O-N 3.39Å |
| 247 | K | 67.7 | Low | 68.5 | Low | 75 Ų | 75 | 65.1 Ų | 65.1 | 33% | 0.326 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | -172 | -71.4 | 169.9 | -174.1 | 155 | 0 | 113.3 | K249 E250 L251 L713 Y714 | K247-K249 VanDerWaalsContact C-N 3.28Å; K247-K249 PolarHBondContact O-N 2.89Å; K247-E250 PolarHBondContact O-N 3.28Å; K247-L251 WeakPolarHBondContact O-CB 3.39Å; K247-L251 WeakPolarHBondContact O-CG 3.5Å; K247-L251 PolarHBondContact O-N 3.33Å; K247-L713 VanDerWaalsContact CD-O 3.22Å; K247-L713 WeakPolarHBondContact CD-O 3.43Å; K247-Y714 PolarHBondContact NZ-O 2.94Å |
| 248 | I | 74.5 | Confident | 69.3 | Low | 79 Ų | 79 | 58.7 Ų | 58.7 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65 | -32.4 | 173.7 | -161.3 | 166.9 | 0 | 0 | 0 | 112.3 | L243 I246 V252 | L243-I248 WeakPolarHBondContact O-CB 3.47Å; L243-I248 VanDerWaalsContact O-CG2 3.27Å; L243-I248 WeakPolarHBondContact O-CG2 3.36Å; I246-I248 VanDerWaalsContact C-N 3.34Å; I246-I248 PolarHBondContact O-N 2.81Å; I248-V252 HydrophobicContact CG1-CG2 4.47Å; I248-V252 WeakPolarHBondContact O-CB 3.17Å; I248-V252 VanDerWaalsContact O-CG2 3.27Å; I248-V252 WeakPolarHBondContact O-CG2 3.3Å; I248-V252 PolarHBondContact O-N 2.99Å |
| 249 | K | 74.9 | Confident | 70.4 | Confident | 53 Ų | 53 | 57.4 Ų | 57.4 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.1 | -39 | 173.4 | -59.9 | 177.1 | -177 | 151.3 | 0 | 111.5 | G245 I246 K247 S253 F268 | G245-K249 WeakPolarHBondContact O-CD 3.3Å; G245-K249 WeakPolarHBondContact O-CE 3.39Å; G245-K249 PolarHBondContact O-NZ 2.92Å; I246-K249 WeakPolarHBondContact O-CA 3.21Å; I246-K249 WeakPolarHBondContact O-CB 3.32Å; I246-K249 PolarHBondContact O-N 3.35Å; K247-K249 VanDerWaalsContact C-N 3.28Å; K247-K249 PolarHBondContact O-N 2.89Å; K249-S253 WeakPolarHBondContact O-CB 3.43Å; K249-S253 PolarHBondContact O-N 2.76Å; K249-F268 HydrophobicContact CB-CE1 4.09Å; K249-F268 HydrophobicContact CB-CZ 4.11Å; K249-F268 HydrophobicContact CG-CZ 4.14Å; K249-F268 WeakPolarHBondContact O-CE1 3.22Å |
| 250 | E | 74 | Confident | 71.2 | Confident | 82 Ų | 82 | 55.4 Ų | 55.4 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 174 | -67.7 | 177.7 | 175.2 | 0 | 0 | 111.8 | I246 K247 G254 | I246-E250 HydrophobicContact CG2-CG 4.37Å; I246-E250 PolarHBondContact O-N 3.39Å; K247-E250 PolarHBondContact O-N 3.28Å; E250-G254 PolarHBondContact O-N 3.35Å |
| 251 | L | 76.6 | Confident | 72.2 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 176.9 | -72.1 | 169.7 | 0 | 0 | 0 | 112.3 | K247 G254 Y255 A685 L686 P718 | K247-L251 WeakPolarHBondContact O-CB 3.39Å; K247-L251 WeakPolarHBondContact O-CG 3.5Å; K247-L251 PolarHBondContact O-N 3.33Å; L251-G254 PolarHBondContact O-N 2.81Å; L251-Y255 WeakPolarHBondContact O-CB 3.4Å; L251-Y255 PolarHBondContact O-N 3.16Å; L251-A685 HydrophobicContact CD2-CB 3.7Å; L251-L686 HydrophobicContact CB-CB 4.39Å; L251-L686 HydrophobicContact CB-CD1 4.4Å; L251-P718 HydrophobicContact CD2-CG 4.43Å |
| 252 | V | 82.9 | Confident | 73.6 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | I248 G254 Y255 L256 F268 L686 | I248-V252 HydrophobicContact CG1-CG2 4.47Å; I248-V252 WeakPolarHBondContact O-CB 3.17Å; I248-V252 VanDerWaalsContact O-CG2 3.27Å; I248-V252 WeakPolarHBondContact O-CG2 3.3Å; I248-V252 PolarHBondContact O-N 2.99Å; V252-G254 PolarHBondContact O-N 3.22Å; V252-Y255 PolarHBondContact O-N 3.04Å; V252-L256 HydrophobicContact CG1-CD1 3.95Å; V252-L256 HydrophobicContact CG1-CG 4.32Å; V252-L256 VanDerWaalsContact O-CG 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.2Å; V252-L256 PolarHBondContact O-N 3.31Å; V252-F268 HydrophobicContact CB-CE1 4.08Å; V252-F268 HydrophobicContact CB-CE2 4.32Å; V252-F268 HydrophobicContact CB-CZ 3.79Å; V252-F268 HydrophobicContact CG1-CD1 4.25Å; V252-F268 HydrophobicContact CG1-CD2 4.05Å; V252-F268 HydrophobicContact CG1-CE1 3.9Å; V252-F268 HydrophobicContact CG1-CE2 3.68Å; V252-F268 HydrophobicContact CG1-CG 4.32Å; V252-F268 HydrophobicContact CG1-CZ 3.6Å; V252-L686 HydrophobicContact CG2-CD2 4.49Å |
| 253 | S | 78.9 | Confident | 74.9 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 175.4 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | K249 Y255 L256 V257 | K249-S253 WeakPolarHBondContact O-CB 3.43Å; K249-S253 PolarHBondContact O-N 2.76Å; S253-Y255 PolarHBondContact O-N 3.09Å; S253-L256 PolarHBondContact O-N 3.07Å; S253-V257 WeakPolarHBondContact O-CB 3.38Å; S253-V257 VanDerWaalsContact O-CG2 3.31Å; S253-V257 WeakPolarHBondContact O-CG2 3.33Å; S253-V257 PolarHBondContact O-N 2.85Å |
| 254 | G | 76.8 | Confident | 76.6 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E250 L251 V252 H258 | E250-G254 PolarHBondContact O-N 3.35Å; L251-G254 PolarHBondContact O-N 2.81Å; V252-G254 PolarHBondContact O-N 3.22Å; G254-H258 WeakPolarHBondContact O-CB 3.18Å; G254-H258 PolarHBondContact O-N 3.02Å |
| 255 | Y | 84 | Confident | 78.1 | Confident | 53 Ų | 53 | 46.1 Ų | 46.1 | 21% | 0.208 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 173.3 | 176.1 | -88.2 | 0 | 0 | 0 | 112.2 | L251 V252 S253 V257 H258 H259 Y261 P684 L686 E687 | L251-Y255 WeakPolarHBondContact O-CB 3.4Å; L251-Y255 PolarHBondContact O-N 3.16Å; V252-Y255 PolarHBondContact O-N 3.04Å; S253-Y255 PolarHBondContact O-N 3.09Å; Y255-V257 PolarHBondContact O-N 3.27Å; Y255-H258 PolarHBondContact O-N 2.98Å; Y255-H259 AromaticContact CD2-CD2 3.78Å; Y255-H259 AromaticContact CE2-CD2 3.45Å; Y255-H259 VanDerWaalsContact CE2-CD2 3.45Å; Y255-H259 WeakPolarHBondContact CE2-CD2 3.1Å; Y255-H259 AromaticContact CE2-NE2 3.59Å; Y255-H259 AromaticContact CZ-CD2 3.62Å; Y255-H259 PolarHBondContact O-N 3.43Å; Y255-Y261 HydrophobicContact CE1-CD2 4.28Å; Y255-Y261 AromaticContact CE1-CE2 3.84Å; Y255-Y261 HydrophobicContact CE1-CE2 3.84Å; Y255-P684 HydrophobicContact CD2-CB 3.81Å; Y255-P684 HydrophobicContact CD2-CG 3.76Å; Y255-P684 HydrophobicContact CE2-CG 4.43Å; Y255-P684 HydrophobicContact CG-CB 4.46Å; Y255-L686 HydrophobicContact CG-CD2 4.48Å; Y255-E687 HydrophobicContact CD2-CG 4.33Å; Y255-E687 HydrophobicContact CE2-CG 4.17Å; Y255-E687 WeakPolarHBondContact CE2-OE1 3.27Å |
| 256 | L | 84.8 | Confident | 79.1 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 179.4 | -65.5 | 173.7 | 0 | 0 | 0 | 112.6 | V252 S253 G260 Y261 T264 A265 F268 M354 | V252-L256 HydrophobicContact CG1-CD1 3.95Å; V252-L256 HydrophobicContact CG1-CG 4.32Å; V252-L256 VanDerWaalsContact O-CG 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.2Å; V252-L256 PolarHBondContact O-N 3.31Å; S253-L256 PolarHBondContact O-N 3.07Å; L256-G260 PolarHBondContact O-N 3.41Å; L256-Y261 HydrophobicContact CD2-CD2 3.89Å; L256-Y261 HydrophobicContact CD2-CG 4.32Å; L256-Y261 PolarHBondContact O-N 3.27Å; L256-T264 HydrophobicContact CD1-CG2 4.06Å; L256-T264 HydrophobicContact CD2-CG2 3.75Å; L256-A265 HydrophobicContact CB-CB 3.96Å; L256-F268 HydrophobicContact CD1-CB 3.77Å; L256-F268 HydrophobicContact CD1-CD1 4.27Å; L256-F268 HydrophobicContact CD1-CG 3.95Å; L256-M354 WeakPolarHBondContact O-CE 3.29Å |
| 257 | V | 80.7 | Confident | 79.9 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73 | -40.4 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 112 | S253 Y255 G260 M354 R357 | S253-V257 WeakPolarHBondContact O-CB 3.38Å; S253-V257 VanDerWaalsContact O-CG2 3.31Å; S253-V257 WeakPolarHBondContact O-CG2 3.33Å; S253-V257 PolarHBondContact O-N 2.85Å; Y255-V257 PolarHBondContact O-N 3.27Å; V257-G260 PolarHBondContact O-N 3.42Å; V257-M354 HydrophobicContact CB-SD 4.25Å; V257-M354 HydrophobicContact CG1-CG 4.33Å; V257-M354 HydrophobicContact CG1-SD 4.14Å; V257-M354 HydrophobicContact CG2-CE 4.5Å; V257-M354 HydrophobicContact CG2-SD 3.99Å; V257-R357 PolarHBondContact O-NH2 3.41Å |
| 258 | H | 80.7 | Confident | 80.7 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.065 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.6 | -51.6 | 176.1 | 175.5 | -68 | 0 | 0 | 0 | 111.2 | G254 Y255 G260 R357 N671 L675 P681 A682 Q683 P684 | G254-H258 WeakPolarHBondContact O-CB 3.18Å; G254-H258 PolarHBondContact O-N 3.02Å; Y255-H258 PolarHBondContact O-N 2.98Å; H258-G260 VanDerWaalsContact C-N 3.28Å; H258-G260 PolarHBondContact O-N 2.93Å; H258-R357 PolarHBondContact O-NH1 3.02Å; H258-N671 PolarHBondContact O-ND2 3.07Å; H258-L675 WeakPolarHBondContact CD2-CD1 3.41Å; H258-P681 PolarHBondContact CD2-O 3.1Å; H258-A682 VanDerWaalsContact NE2-C 3.33Å; H258-A682 PolarHBondContact NE2-O 3.14Å; H258-Q683 WeakPolarHBondContact NE2-CA 3.27Å; H258-P684 HydrophobicContact CB-CG 3.98Å |
| 259 | H | 82.4 | Confident | 81 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -78.5 | -7.3 | -177.8 | -79.5 | -65.4 | 0 | 0 | 0 | 114.7 | Y255 Y261 R361 E687 | Y255-H259 AromaticContact CD2-CD2 3.78Å; Y255-H259 AromaticContact CE2-CD2 3.45Å; Y255-H259 VanDerWaalsContact CE2-CD2 3.45Å; Y255-H259 WeakPolarHBondContact CE2-CD2 3.1Å; Y255-H259 AromaticContact CE2-NE2 3.59Å; Y255-H259 AromaticContact CZ-CD2 3.62Å; Y255-H259 PolarHBondContact O-N 3.43Å; H259-Y261 HydrophobicContact CB-CD2 3.53Å; H259-Y261 HydrophobicContact CB-CE2 3.26Å; H259-Y261 HydrophobicContact CB-CG 4.33Å; H259-Y261 AromaticContact CG-CE2 3.89Å; H259-R361 PolarHBondContact O-NH1 3.22Å; H259-E687 IonicContact CD2-OE1 3.21Å; H259-E687 IonicContact CE1-OE1 2.74Å; H259-E687 IonicContact NE2-OE1 2.69Å; H259-E687 PolarHBondContact NE2-OE1 3.21Å |
| 260 | G | 78.5 | Confident | 81.1 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 23.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | L256 V257 H258 V262 | L256-G260 PolarHBondContact O-N 3.41Å; V257-G260 PolarHBondContact O-N 3.42Å; H258-G260 VanDerWaalsContact C-N 3.28Å; H258-G260 PolarHBondContact O-N 2.93Å; G260-V262 PolarHBondContact O-N 3.08Å |
| 261 | Y | 83.5 | Confident | 81.1 | Confident | 96 Ų | 96 | 45.1 Ų | 45.1 | 38% | 0.376 | 25% | 0.247 | S | C | . | . | trans | -76 | 63.1 | -179.8 | -63.7 | -54.8 | 0 | 0 | 0 | 112 | Y255 L256 H259 A263 T264 A265 | Y255-Y261 HydrophobicContact CE1-CD2 4.28Å; Y255-Y261 AromaticContact CE1-CE2 3.84Å; Y255-Y261 HydrophobicContact CE1-CE2 3.84Å; L256-Y261 HydrophobicContact CD2-CD2 3.89Å; L256-Y261 HydrophobicContact CD2-CG 4.32Å; L256-Y261 PolarHBondContact O-N 3.27Å; H259-Y261 HydrophobicContact CB-CD2 3.53Å; H259-Y261 HydrophobicContact CB-CE2 3.26Å; H259-Y261 HydrophobicContact CB-CG 4.33Å; H259-Y261 AromaticContact CG-CE2 3.89Å; Y261-A263 PolarHBondContact O-N 3.4Å; Y261-T264 PolarHBondContact O-N 3.02Å; Y261-A265 WeakPolarHBondContact O-CB 3.39Å; Y261-A265 PolarHBondContact O-N 2.81Å | ||
| 262 | V | 81.8 | Confident | 80.9 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 9% | 0.085 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -49.4 | -51.2 | -169.1 | 170.6 | 0 | 0 | 0 | 0 | 114.1 | G260 A265 K266 I351 M354 L355 | G260-V262 PolarHBondContact O-N 3.08Å; V262-A265 PolarHBondContact O-N 2.78Å; V262-K266 HydrophobicContact CG1-CD 4.13Å; V262-K266 WeakPolarHBondContact O-CB 3.43Å; V262-K266 WeakPolarHBondContact O-CG 3.3Å; V262-K266 PolarHBondContact O-N 3.03Å; V262-I351 HydrophobicContact CB-CD1 4.48Å; V262-I351 HydrophobicContact CG1-CD1 3.61Å; V262-I351 HydrophobicContact CG2-CD1 4.14Å; V262-M354 HydrophobicContact CB-CE 4.42Å; V262-M354 HydrophobicContact CG2-CB 3.74Å; V262-M354 HydrophobicContact CG2-CE 3.84Å; V262-M354 HydrophobicContact CG2-SD 4.47Å; V262-L355 HydrophobicContact CG2-CD2 4.16Å |
| 263 | A | 80.4 | Confident | 80.3 | Confident | 77 Ų | 77 | 47.3 Ų | 47.3 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.2 | -46.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y261 A265 K266 A267 | Y261-A263 PolarHBondContact O-N 3.4Å; A263-A265 PolarHBondContact O-N 2.99Å; A263-K266 PolarHBondContact O-N 2.99Å; A263-A267 WeakPolarHBondContact O-CB 3.22Å; A263-A267 PolarHBondContact O-N 3.43Å |
| 264 | T | 86.8 | Confident | 79.9 | Confident | 77 Ų | 77 | 46.2 Ų | 46.2 | 47% | 0.472 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.8 | -40.8 | 0 | 0 | 0 | 0 | 111.7 | L256 Y261 A267 F268 | L256-T264 HydrophobicContact CD1-CG2 4.06Å; L256-T264 HydrophobicContact CD2-CG2 3.75Å; Y261-T264 PolarHBondContact O-N 3.02Å; T264-A267 PolarHBondContact O-N 2.95Å; T264-F268 WeakPolarHBondContact O-CB 3.37Å; T264-F268 PolarHBondContact O-N 2.71Å |
| 265 | A | 83.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L256 Y261 V262 A263 F268 S269 L348 M354 | L256-A265 HydrophobicContact CB-CB 3.96Å; Y261-A265 WeakPolarHBondContact O-CB 3.39Å; Y261-A265 PolarHBondContact O-N 2.81Å; V262-A265 PolarHBondContact O-N 2.78Å; A263-A265 PolarHBondContact O-N 2.99Å; A265-F268 PolarHBondContact O-N 2.88Å; A265-S269 VanDerWaalsContact O-CB 3.24Å; A265-S269 WeakPolarHBondContact O-CB 3.32Å; A265-S269 PolarHBondContact O-N 3.18Å; A265-L348 HydrophobicContact CB-CD2 3.8Å; A265-M354 HydrophobicContact CB-CE 4Å |
| 266 | K | 81.4 | Confident | 78 | Confident | 83 Ų | 83 | 46.8 Ų | 46.8 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.3 | -49.8 | 173.8 | -75.8 | 177.5 | 177.1 | 179.7 | 0 | 111.1 | V262 A263 S269 Y270 L345 | V262-K266 HydrophobicContact CG1-CD 4.13Å; V262-K266 WeakPolarHBondContact O-CB 3.43Å; V262-K266 WeakPolarHBondContact O-CG 3.3Å; V262-K266 PolarHBondContact O-N 3.03Å; A263-K266 PolarHBondContact O-N 2.99Å; K266-S269 PolarHBondContact O-N 3.07Å; K266-Y270 PolarHBondContact O-N 2.99Å; K266-L345 VanDerWaalsContact NZ-CD1 3.32Å |
| 267 | A | 83.5 | Confident | 76.4 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A263 T264 S269 Y270 W271 | A263-A267 WeakPolarHBondContact O-CB 3.22Å; A263-A267 PolarHBondContact O-N 3.43Å; T264-A267 PolarHBondContact O-N 2.95Å; A267-S269 VanDerWaalsContact C-N 3.35Å; A267-S269 PolarHBondContact O-N 2.74Å; A267-Y270 PolarHBondContact O-N 3.36Å; A267-W271 PolarHBondContact O-N 2.94Å |
| 268 | F | 84.3 | Confident | 75.1 | Confident | 59 Ų | 59 | 48 Ų | 48 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 179.4 | -174.4 | -96.6 | 0 | 0 | 0 | 112.2 | K249 V252 L256 T264 A265 S272 | K249-F268 HydrophobicContact CB-CE1 4.09Å; K249-F268 HydrophobicContact CB-CZ 4.11Å; K249-F268 HydrophobicContact CG-CZ 4.14Å; K249-F268 WeakPolarHBondContact O-CE1 3.22Å; V252-F268 HydrophobicContact CB-CE1 4.08Å; V252-F268 HydrophobicContact CB-CE2 4.32Å; V252-F268 HydrophobicContact CB-CZ 3.79Å; V252-F268 HydrophobicContact CG1-CD1 4.25Å; V252-F268 HydrophobicContact CG1-CD2 4.05Å; V252-F268 HydrophobicContact CG1-CE1 3.9Å; V252-F268 HydrophobicContact CG1-CE2 3.68Å; V252-F268 HydrophobicContact CG1-CG 4.32Å; V252-F268 HydrophobicContact CG1-CZ 3.6Å; L256-F268 HydrophobicContact CD1-CB 3.77Å; L256-F268 HydrophobicContact CD1-CD1 4.27Å; L256-F268 HydrophobicContact CD1-CG 3.95Å; T264-F268 WeakPolarHBondContact O-CB 3.37Å; T264-F268 PolarHBondContact O-N 2.71Å; A265-F268 PolarHBondContact O-N 2.88Å; F268-S272 WeakPolarHBondContact CE1-OG 3.39Å; F268-S272 WeakPolarHBondContact O-CB 3.42Å; F268-S272 PolarHBondContact O-N 2.92Å; F268-S272 PolarHBondContact O-OG 3.27Å |
| 269 | S | 79.3 | Confident | 73.5 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | A265 K266 A267 W271 S272 N273 | A265-S269 VanDerWaalsContact O-CB 3.24Å; A265-S269 WeakPolarHBondContact O-CB 3.32Å; A265-S269 PolarHBondContact O-N 3.18Å; K266-S269 PolarHBondContact O-N 3.07Å; A267-S269 VanDerWaalsContact C-N 3.35Å; A267-S269 PolarHBondContact O-N 2.74Å; S269-W271 PolarHBondContact O-N 3.43Å; S269-S272 PolarHBondContact O-N 3.47Å; S269-N273 WeakPolarHBondContact O-CB 3.45Å; S269-N273 VanDerWaalsContact O-CG 3.23Å; S269-N273 PolarHBondContact O-N 2.94Å; S269-N273 PolarHBondContact O-ND2 3.18Å |
| 270 | Y | 76.9 | Confident | 71.8 | Confident | 121 Ų | 121 | 60.1 Ų | 60.1 | 48% | 0.475 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.8 | -53 | 175.2 | 177.6 | -94.4 | 0 | 0 | 0 | 111.9 | K266 A267 S272 N273 L274 | K266-Y270 PolarHBondContact O-N 2.99Å; A267-Y270 PolarHBondContact O-N 3.36Å; Y270-S272 PolarHBondContact O-N 3.47Å; Y270-N273 PolarHBondContact O-N 3.04Å; Y270-L274 HydrophobicContact CE1-CD2 4.16Å; Y270-L274 WeakPolarHBondContact O-CB 3.33Å; Y270-L274 PolarHBondContact O-N 3.39Å |
| 271 | W | 74.7 | Confident | 70.4 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 28% | 0.284 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -33.8 | 179.8 | -70.5 | 112.9 | 0 | 0 | 0 | 113 | A267 S269 L274 A275 I288 F291 | A267-W271 PolarHBondContact O-N 2.94Å; S269-W271 PolarHBondContact O-N 3.43Å; W271-L274 HydrophobicContact CE3-CD2 3.79Å; W271-L274 HydrophobicContact CZ3-CD2 3.61Å; W271-A275 VanDerWaalsContact O-CB 3.23Å; W271-A275 WeakPolarHBondContact O-CB 3.28Å; W271-A275 PolarHBondContact O-N 3.07Å; W271-I288 HydrophobicContact CZ3-CG1 4.24Å; W271-F291 HydrophobicContact CH2-CB 3.81Å; W271-F291 AromaticContact CH2-CD1 3.7Å; W271-F291 HydrophobicContact CH2-CD1 3.7Å; W271-F291 HydrophobicContact CH2-CD2 4.02Å; W271-F291 HydrophobicContact CH2-CE1 4.23Å; W271-F291 AromaticContact CH2-CG 3.57Å; W271-F291 HydrophobicContact CH2-CG 3.57Å; W271-F291 HydrophobicContact CZ2-CB 4.41Å; W271-F291 AromaticContact CZ2-CD1 3.77Å; W271-F291 HydrophobicContact CZ2-CD1 3.77Å; W271-F291 AromaticContact CZ2-CD2 3.74Å; W271-F291 HydrophobicContact CZ2-CD2 3.74Å; W271-F291 AromaticContact CZ2-CE1 3.85Å; W271-F291 HydrophobicContact CZ2-CE1 3.85Å; W271-F291 AromaticContact CZ2-CE2 3.84Å; W271-F291 HydrophobicContact CZ2-CE2 3.84Å; W271-F291 AromaticContact CZ2-CG 3.71Å; W271-F291 HydrophobicContact CZ2-CG 3.71Å; W271-F291 AromaticContact CZ2-CZ 3.89Å; W271-F291 HydrophobicContact CZ2-CZ 3.89Å; W271-F291 HydrophobicContact CZ3-CD1 4.19Å; W271-F291 HydrophobicContact CZ3-CG 4.42Å |
| 272 | S | 73 | Confident | 69 | Low | 16 Ų | 16 | 63.8 Ų | 63.8 | 11% | 0.112 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 174.5 | -70 | 0 | 0 | 0 | 0 | 112.7 | F268 S269 Y270 S276 | F268-S272 WeakPolarHBondContact CE1-OG 3.39Å; F268-S272 WeakPolarHBondContact O-CB 3.42Å; F268-S272 PolarHBondContact O-N 2.92Å; F268-S272 PolarHBondContact O-OG 3.27Å; S269-S272 PolarHBondContact O-N 3.47Å; Y270-S272 PolarHBondContact O-N 3.47Å; S272-S276 PolarHBondContact O-N 3.19Å; S272-S276 PolarHBondContact O-OG 2.71Å |
| 273 | N | 70.4 | Confident | 67.6 | Low | 94 Ų | 94 | 70.6 Ų | 70.6 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -73.6 | -42.4 | 176.9 | -69.3 | -18.9 | 0 | 0 | 0 | 110.9 | S269 Y270 S276 S277 | S269-N273 WeakPolarHBondContact O-CB 3.45Å; S269-N273 VanDerWaalsContact O-CG 3.23Å; S269-N273 PolarHBondContact O-N 2.94Å; S269-N273 PolarHBondContact O-ND2 3.18Å; Y270-N273 PolarHBondContact O-N 3.04Å; N273-S276 CarbonylContact O-C 3.59Å; N273-S276 PolarHBondContact O-N 3.43Å; N273-S276 VanDerWaalsContact O-N 3.12Å; N273-S277 WeakPolarHBondContact O-CB 3.19Å; N273-S277 PolarHBondContact O-N 2.99Å |
| 274 | L | 69.5 | Low | 66.2 | Low | 13 Ų | 13 | 68.6 Ų | 68.6 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.6 | -172.4 | 64.2 | 0 | 0 | 0 | 111.4 | Y270 W271 S276 S277 V278 Q284 I288 | Y270-L274 HydrophobicContact CE1-CD2 4.16Å; Y270-L274 WeakPolarHBondContact O-CB 3.33Å; Y270-L274 PolarHBondContact O-N 3.39Å; W271-L274 HydrophobicContact CE3-CD2 3.79Å; W271-L274 HydrophobicContact CZ3-CD2 3.61Å; L274-S276 PolarHBondContact O-N 2.64Å; L274-S276 VanDerWaalsContact O-N 3.13Å; L274-S277 PolarHBondContact O-N 3.28Å; L274-V278 HydrophobicContact CD1-CG2 4.23Å; L274-V278 HydrophobicContact CG-CG2 4.1Å; L274-V278 WeakPolarHBondContact O-CG2 3.3Å; L274-V278 PolarHBondContact O-N 3.14Å; L274-Q284 HydrophobicContact CD1-CB 4.08Å; L274-Q284 HydrophobicContact CD1-CG 3.76Å; L274-I288 HydrophobicContact CD2-CG1 4.39Å |
| 275 | A | 60.8 | Low | 64.7 | Low | 21 Ų | 21 | 67 Ų | 67 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -52 | -36.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W271 F976 | W271-A275 VanDerWaalsContact O-CB 3.23Å; W271-A275 WeakPolarHBondContact O-CB 3.28Å; W271-A275 PolarHBondContact O-N 3.07Å; A275-F976 HydrophobicContact CB-CE1 3.89Å; A275-F976 HydrophobicContact CB-CE2 3.62Å; A275-F976 HydrophobicContact CB-CZ 3.25Å |
| 276 | S | 60.2 | Low | 63.5 | Low | 72 Ų | 72 | 71.4 Ų | 71.4 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -84.9 | -21.4 | -179.9 | -46.3 | 0 | 0 | 0 | 0 | 112.5 | S272 N273 L274 | S272-S276 PolarHBondContact O-N 3.19Å; S272-S276 PolarHBondContact O-OG 2.71Å; N273-S276 CarbonylContact O-C 3.59Å; N273-S276 PolarHBondContact O-N 3.43Å; N273-S276 VanDerWaalsContact O-N 3.12Å; L274-S276 PolarHBondContact O-N 2.64Å; L274-S276 VanDerWaalsContact O-N 3.13Å |
| 277 | S | 52.2 | Low | 62.3 | Low | 48 Ų | 48 | 70.9 Ų | 70.9 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -87.6 | -28.9 | 179.5 | -172.3 | 0 | 0 | 0 | 0 | 113.4 | N273 L274 Q279 N280 Q284 | N273-S277 WeakPolarHBondContact O-CB 3.19Å; N273-S277 PolarHBondContact O-N 2.99Å; L274-S277 PolarHBondContact O-N 3.28Å; S277-Q279 PolarHBondContact O-N 3.25Å; S277-N280 PolarHBondContact O-N 3.4Å; S277-Q284 VanDerWaalsContact C-OE1 3.24Å; S277-Q284 PolarHBondContact O-OE1 3Å; S277-Q284 PolarHBondContact OG-NE2 3.37Å; S277-Q284 VanDerWaalsContact OG-NE2 3.16Å; S277-Q284 PolarHBondContact OG-OE1 3.14Å |
| 278 | V | 52 | Low | 61.1 | Low | 24 Ų | 24 | 69.3 Ų | 69.3 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -60.2 | -18.1 | -175.3 | 166 | 0 | 0 | 0 | 0 | 114.1 | L274 N280 Q284 K285 I288 | L274-V278 HydrophobicContact CD1-CG2 4.23Å; L274-V278 HydrophobicContact CG-CG2 4.1Å; L274-V278 WeakPolarHBondContact O-CG2 3.3Å; L274-V278 PolarHBondContact O-N 3.14Å; V278-N280 PolarHBondContact O-N 3.26Å; V278-N280 VanDerWaalsContact O-N 3.14Å; V278-Q284 HydrophobicContact CG2-CB 3.74Å; V278-K285 HydrophobicContact CG1-CG 4.27Å; V278-I288 HydrophobicContact CG1-CD1 4.44Å; V278-I288 HydrophobicContact CG2-CD1 3.6Å |
| 279 | Q | 47.9 | Very low | 59.8 | Low | 145 Ų | 145 | 71.2 Ų | 71.2 | 68% | 0.678 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -61.1 | -16.2 | 169.1 | -68.8 | -169.3 | -18.1 | 0 | 0 | 113.4 | S277 V972 | S277-Q279 PolarHBondContact O-N 3.25Å; Q279-V972 HydrophobicContact CG-CG1 4.48Å |
| 280 | N | 46.6 | Very low | 59 | Low | 141 Ų | 141 | 74.6 Ų | 74.6 | 75% | 0.754 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -117.3 | -0.9 | -171.4 | -67.7 | -68.1 | 0 | 0 | 0 | 116.2 | S277 V278 | S277-N280 PolarHBondContact O-N 3.4Å; V278-N280 PolarHBondContact O-N 3.26Å; V278-N280 VanDerWaalsContact O-N 3.14Å |
| 281 | S | 49 | Very low | 57.7 | Low | 43 Ų | 43 | 72.6 Ų | 72.6 | 30% | 0.301 | 37% | 0.37 | S | S | . | . | trans | -152.5 | 140.5 | 175 | 70.9 | 0 | 0 | 0 | 0 | 115.3 | Q284 | S281-Q284 VanDerWaalsContact OG-CG 3.23Å; S281-Q284 WeakPolarHBondContact OG-CG 3.37Å; S281-Q284 PolarHBondContact OG-OE1 3.37Å | ||
| 282 | E | 54.1 | Low | 56.6 | Low | 141 Ų | 141 | 70.8 Ų | 70.8 | 66% | 0.659 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -39.2 | -179.7 | -154.6 | 151.1 | -138.1 | 0 | 0 | 111.3 | Q284 K285 | E282-Q284 PolarHBondContact O-N 3.36Å; E282-Q284 VanDerWaalsContact O-N 3.14Å; E282-K285 WeakPolarHBondContact O-CB 3.5Å; E282-K285 PolarHBondContact O-N 3.29Å |
| 283 | F | 52.4 | Low | 55.5 | Low | 157 Ų | 157 | 72 Ų | 72 | 69% | 0.689 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.7 | -24.7 | 179 | -172.9 | -102.2 | 0 | 0 | 0 | 115 | ||
| 284 | Q | 52 | Low | 54.5 | Low | 36 Ų | 36 | 73.7 Ų | 73.7 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -80.8 | -18.5 | 176.7 | -71.4 | 175 | -6.7 | 0 | 0 | 113 | L274 S277 V278 S281 E282 | L274-Q284 HydrophobicContact CD1-CB 4.08Å; L274-Q284 HydrophobicContact CD1-CG 3.76Å; S277-Q284 VanDerWaalsContact C-OE1 3.24Å; S277-Q284 PolarHBondContact O-OE1 3Å; S277-Q284 PolarHBondContact OG-NE2 3.37Å; S277-Q284 VanDerWaalsContact OG-NE2 3.16Å; S277-Q284 PolarHBondContact OG-OE1 3.14Å; V278-Q284 HydrophobicContact CG2-CB 3.74Å; S281-Q284 VanDerWaalsContact OG-CG 3.23Å; S281-Q284 WeakPolarHBondContact OG-CG 3.37Å; S281-Q284 PolarHBondContact OG-OE1 3.37Å; E282-Q284 PolarHBondContact O-N 3.36Å; E282-Q284 VanDerWaalsContact O-N 3.14Å |
| 285 | K | 53.9 | Low | 53.3 | Low | 44 Ų | 44 | 77.2 Ų | 77.2 | 19% | 0.191 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 178.6 | -62.9 | -171.9 | 179.9 | -176.7 | 0 | 111.5 | V278 E282 Q287 I288 Q289 T971 | V278-K285 HydrophobicContact CG1-CG 4.27Å; E282-K285 WeakPolarHBondContact O-CB 3.5Å; E282-K285 PolarHBondContact O-N 3.29Å; K285-Q287 VanDerWaalsContact C-N 3.34Å; K285-Q287 PolarHBondContact O-N 3Å; K285-I288 PolarHBondContact O-N 3.14Å; K285-Q289 PolarHBondContact O-N 2.74Å; K285-T971 PolarHBondContact NZ-O 3.3Å |
| 286 | D | 58.6 | Low | 52.6 | Low | 92 Ų | 92 | 79.6 Ų | 79.6 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | -179.8 | -61.9 | -21 | 0 | 0 | 0 | 111.8 | I288 Q289 I290 | D286-I288 VanDerWaalsContact C-N 3.3Å; D286-I288 PolarHBondContact O-N 3.34Å; D286-Q289 PolarHBondContact O-N 3.48Å; D286-I290 WeakPolarHBondContact O-CB 3.31Å; D286-I290 WeakPolarHBondContact O-CD1 3.29Å; D286-I290 VanDerWaalsContact O-CG1 3.23Å; D286-I290 WeakPolarHBondContact O-CG1 3.39Å; D286-I290 PolarHBondContact O-N 3.18Å |
| 287 | Q | 58 | Low | 52 | Low | 73 Ų | 73 | 79.5 Ų | 79.5 | 34% | 0.341 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 176.6 | -62.5 | -169.7 | 26.3 | 0 | 0 | 112.2 | K285 F291 | K285-Q287 VanDerWaalsContact C-N 3.34Å; K285-Q287 PolarHBondContact O-N 3Å; Q287-F291 WeakPolarHBondContact O-CB 3.42Å; Q287-F291 PolarHBondContact O-N 3.2Å |
| 288 | I | 56.3 | Low | 51.4 | Low | 12 Ų | 12 | 86.1 Ų | 86.1 | 6% | 0.062 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 176.2 | -69 | 175.4 | 0 | 0 | 0 | 111 | W271 L274 V278 K285 D286 F291 N292 F976 | W271-I288 HydrophobicContact CZ3-CG1 4.24Å; L274-I288 HydrophobicContact CD2-CG1 4.39Å; V278-I288 HydrophobicContact CG1-CD1 4.44Å; V278-I288 HydrophobicContact CG2-CD1 3.6Å; K285-I288 PolarHBondContact O-N 3.14Å; D286-I288 VanDerWaalsContact C-N 3.3Å; D286-I288 PolarHBondContact O-N 3.34Å; I288-F291 PolarHBondContact O-N 3.49Å; I288-N292 WeakPolarHBondContact O-CB 3.39Å; I288-N292 PolarHBondContact O-N 3.16Å; I288-F976 HydrophobicContact CD1-CE2 4.06Å |
| 289 | Q | 57.8 | Low | 50.9 | Low | 100 Ų | 100 | 87.8 Ų | 87.8 | 47% | 0.467 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 176.4 | -67.3 | -172.4 | 25.5 | 0 | 0 | 111.9 | K285 D286 F291 N292 G293 | K285-Q289 PolarHBondContact O-N 2.74Å; D286-Q289 PolarHBondContact O-N 3.48Å; Q289-F291 VanDerWaalsContact C-N 3.28Å; Q289-F291 PolarHBondContact O-N 3.41Å; Q289-N292 PolarHBondContact O-N 3.29Å; Q289-G293 PolarHBondContact O-N 3.15Å |
| 290 | I | 63.2 | Low | 50.4 | Low | 99 Ų | 99 | 86.6 Ų | 86.6 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 174.9 | -68.5 | 163.8 | 0 | 0 | 0 | 111 | D286 K294 | D286-I290 WeakPolarHBondContact O-CB 3.31Å; D286-I290 WeakPolarHBondContact O-CD1 3.29Å; D286-I290 VanDerWaalsContact O-CG1 3.23Å; D286-I290 WeakPolarHBondContact O-CG1 3.39Å; D286-I290 PolarHBondContact O-N 3.18Å; I290-K294 HydrophobicContact CG2-CD 4.2Å; I290-K294 VanDerWaalsContact O-CG 3.29Å; I290-K294 WeakPolarHBondContact O-CG 3.42Å; I290-K294 PolarHBondContact O-N 2.99Å |
| 291 | F | 49 | Very low | 50 | Low | 78 Ų | 78 | 86 Ų | 86 | 34% | 0.342 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.1 | -44.4 | 178.1 | -174.3 | -114.3 | 0 | 0 | 0 | 112.6 | W271 Q287 I288 Q289 G293 K294 I295 | W271-F291 HydrophobicContact CH2-CB 3.81Å; W271-F291 AromaticContact CH2-CD1 3.7Å; W271-F291 HydrophobicContact CH2-CD1 3.7Å; W271-F291 HydrophobicContact CH2-CD2 4.02Å; W271-F291 HydrophobicContact CH2-CE1 4.23Å; W271-F291 AromaticContact CH2-CG 3.57Å; W271-F291 HydrophobicContact CH2-CG 3.57Å; W271-F291 HydrophobicContact CZ2-CB 4.41Å; W271-F291 AromaticContact CZ2-CD1 3.77Å; W271-F291 HydrophobicContact CZ2-CD1 3.77Å; W271-F291 AromaticContact CZ2-CD2 3.74Å; W271-F291 HydrophobicContact CZ2-CD2 3.74Å; W271-F291 AromaticContact CZ2-CE1 3.85Å; W271-F291 HydrophobicContact CZ2-CE1 3.85Å; W271-F291 AromaticContact CZ2-CE2 3.84Å; W271-F291 HydrophobicContact CZ2-CE2 3.84Å; W271-F291 AromaticContact CZ2-CG 3.71Å; W271-F291 HydrophobicContact CZ2-CG 3.71Å; W271-F291 AromaticContact CZ2-CZ 3.89Å; W271-F291 HydrophobicContact CZ2-CZ 3.89Å; W271-F291 HydrophobicContact CZ3-CD1 4.19Å; W271-F291 HydrophobicContact CZ3-CG 4.42Å; Q287-F291 WeakPolarHBondContact O-CB 3.42Å; Q287-F291 PolarHBondContact O-N 3.2Å; I288-F291 PolarHBondContact O-N 3.49Å; Q289-F291 VanDerWaalsContact C-N 3.28Å; Q289-F291 PolarHBondContact O-N 3.41Å; F291-G293 VanDerWaalsContact C-N 3.34Å; F291-G293 PolarHBondContact O-N 2.73Å; F291-K294 WeakPolarHBondContact O-CB 3.38Å; F291-K294 PolarHBondContact O-N 2.72Å; F291-K294 VanDerWaalsContact O-N 3.1Å; F291-I295 HydrophobicContact CD1-CD1 3.98Å; F291-I295 HydrophobicContact CE1-CD1 3.52Å; F291-I295 HydrophobicContact CE1-CG1 4.37Å; F291-I295 HydrophobicContact CZ-CD1 3.87Å; F291-I295 HydrophobicContact CZ-CG1 4.37Å; F291-I295 PolarHBondContact O-N 3.1Å |
| 292 | N | 51.2 | Low | 49.3 | Very low | 37 Ų | 37 | 89.6 Ų | 89.6 | 20% | 0.198 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.6 | -73.1 | -9.6 | 0 | 0 | 0 | 111.6 | I288 Q289 K294 I295 S296 | I288-N292 WeakPolarHBondContact O-CB 3.39Å; I288-N292 PolarHBondContact O-N 3.16Å; Q289-N292 PolarHBondContact O-N 3.29Å; N292-K294 VanDerWaalsContact C-N 3.31Å; N292-K294 PolarHBondContact O-N 2.89Å; N292-I295 PolarHBondContact O-N 2.9Å; N292-I295 VanDerWaalsContact O-N 3.14Å; N292-S296 PolarHBondContact O-N 2.91Å; N292-S296 PolarHBondContact O-OG 3.42Å |
| 293 | G | 50 | Low | 48.4 | Very low | 42 Ų | 42 | 86.9 Ų | 86.9 | 43% | 0.433 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q289 F291 I295 S297 | Q289-G293 PolarHBondContact O-N 3.15Å; F291-G293 VanDerWaalsContact C-N 3.34Å; F291-G293 PolarHBondContact O-N 2.73Å; G293-I295 VanDerWaalsContact C-N 3.35Å; G293-S297 WeakPolarHBondContact O-CB 3.24Å; G293-S297 PolarHBondContact O-N 3.09Å; G293-S297 PolarHBondContact O-OG 2.86Å |
| 294 | K | 49.5 | Very low | 47.3 | Very low | 129 Ų | 129 | 83.4 Ų | 83.4 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.3 | -26 | 174.9 | -74 | 171.9 | -179 | 179.7 | 0 | 113.9 | I290 F291 N292 S297 | I290-K294 HydrophobicContact CG2-CD 4.2Å; I290-K294 VanDerWaalsContact O-CG 3.29Å; I290-K294 WeakPolarHBondContact O-CG 3.42Å; I290-K294 PolarHBondContact O-N 2.99Å; F291-K294 WeakPolarHBondContact O-CB 3.38Å; F291-K294 PolarHBondContact O-N 2.72Å; F291-K294 VanDerWaalsContact O-N 3.1Å; N292-K294 VanDerWaalsContact C-N 3.31Å; N292-K294 PolarHBondContact O-N 2.89Å; K294-S297 WeakPolarHBondContact CA-OG 3.39Å; K294-S297 PolarHBondContact O-OG 3.34Å |
| 295 | I | 45.7 | Very low | 46.2 | Very low | 87 Ų | 87 | 86.6 Ų | 86.6 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74 | -51.9 | 171 | -69.4 | 175.5 | 0 | 0 | 0 | 110.4 | F291 N292 G293 S297 R298 S299 | F291-I295 HydrophobicContact CD1-CD1 3.98Å; F291-I295 HydrophobicContact CE1-CD1 3.52Å; F291-I295 HydrophobicContact CE1-CG1 4.37Å; F291-I295 HydrophobicContact CZ-CD1 3.87Å; F291-I295 HydrophobicContact CZ-CG1 4.37Å; F291-I295 PolarHBondContact O-N 3.1Å; N292-I295 PolarHBondContact O-N 2.9Å; N292-I295 VanDerWaalsContact O-N 3.14Å; G293-I295 VanDerWaalsContact C-N 3.35Å; I295-S297 VanDerWaalsContact C-N 3.26Å; I295-S297 PolarHBondContact O-N 3.23Å; I295-R298 WeakPolarHBondContact O-CA 3.16Å; I295-R298 PolarHBondContact O-N 3.4Å; I295-S299 PolarHBondContact O-N 3.41Å |
| 296 | S | 45.9 | Very low | 45.1 | Very low | 71 Ų | 71 | 89.9 Ų | 89.9 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -31.7 | -178.4 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | N292 R298 S299 N300 | N292-S296 PolarHBondContact O-N 2.91Å; N292-S296 PolarHBondContact O-OG 3.42Å; S296-R298 VanDerWaalsContact C-N 3.32Å; S296-S299 PolarHBondContact O-OG 3.46Å; S296-N300 VanDerWaalsContact O-CG 3.31Å; S296-N300 PolarHBondContact O-OD1 3.45Å |
| 297 | S | 46.2 | Very low | 43.8 | Very low | 70 Ų | 70 | 94.7 Ų | 94.7 | 49% | 0.49 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.5 | -18 | 172.8 | 47.1 | 0 | 0 | 0 | 0 | 113.9 | G293 K294 I295 | G293-S297 WeakPolarHBondContact O-CB 3.24Å; G293-S297 PolarHBondContact O-N 3.09Å; G293-S297 PolarHBondContact O-OG 2.86Å; K294-S297 WeakPolarHBondContact CA-OG 3.39Å; K294-S297 PolarHBondContact O-OG 3.34Å; I295-S297 VanDerWaalsContact C-N 3.26Å; I295-S297 PolarHBondContact O-N 3.23Å |
| 298 | R | 39.6 | Very low | 42.6 | Very low | 188 Ų | 188 | 97.6 Ų | 97.6 | 71% | 0.709 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -92 | -34.3 | 173.6 | -85.7 | -174.7 | 160.3 | -169.2 | -6.6 | 113.5 | I295 S296 N300 L301 | I295-R298 WeakPolarHBondContact O-CA 3.16Å; I295-R298 PolarHBondContact O-N 3.4Å; S296-R298 VanDerWaalsContact C-N 3.32Å; R298-N300 VanDerWaalsContact C-N 3.27Å; R298-N300 PolarHBondContact O-N 2.6Å; R298-L301 PolarHBondContact O-N 3.11Å |
| 299 | S | 41.6 | Very low | 41.5 | Very low | 58 Ų | 58 | 105.3 Ų | 105.3 | 41% | 0.406 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.7 | -41.3 | 175.5 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | I295 S296 L301 V302 | I295-S299 PolarHBondContact O-N 3.41Å; S296-S299 PolarHBondContact O-OG 3.46Å; S299-L301 PolarHBondContact O-N 2.64Å; S299-L301 VanDerWaalsContact O-N 3.14Å; S299-V302 PolarHBondContact O-N 2.9Å; S299-V302 VanDerWaalsContact O-N 3.14Å |
| 300 | N | 38.4 | Very low | 40.2 | Very low | 121 Ų | 121 | 106.3 Ų | 106.3 | 65% | 0.647 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -9.6 | -176.2 | -62.7 | 7.7 | 0 | 0 | 0 | 113.8 | S296 R298 | S296-N300 VanDerWaalsContact O-CG 3.31Å; S296-N300 PolarHBondContact O-OD1 3.45Å; R298-N300 VanDerWaalsContact C-N 3.27Å; R298-N300 PolarHBondContact O-N 2.6Å |
| 301 | L | 36.9 | Very low | 38.7 | Very low | 128 Ų | 128 | 108.3 Ų | 108.3 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -6.4 | 175.5 | -78.3 | 165 | 0 | 0 | 0 | 113.6 | R298 S299 | R298-L301 PolarHBondContact O-N 3.11Å; S299-L301 PolarHBondContact O-N 2.64Å; S299-L301 VanDerWaalsContact O-N 3.14Å |
| 302 | V | 36 | Very low | 37.8 | Very low | 119 Ų | 119 | 110.5 Ų | 110.5 | 72% | 0.721 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -26.1 | -179.5 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | S299 | S299-V302 PolarHBondContact O-N 2.9Å; S299-V302 VanDerWaalsContact O-N 3.14Å |
| 303 | S | 33.5 | Very low | 36.7 | Very low | 83 Ų | 83 | 116.8 Ų | 116.8 | 58% | 0.58 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -85.4 | -1.7 | -176.5 | -53.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 304 | S | 30.5 | Very low | 35.9 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -108.8 | 48.8 | -171.8 | 65 | 0 | 0 | 0 | 0 | 113.1 | ||
| 305 | S | 29 | Very low | 34.9 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -148.1 | 28.4 | -170.1 | -68.7 | 0 | 0 | 0 | 0 | 116.1 | ||
| 306 | S | 29.7 | Very low | 34.2 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -154.8 | 45 | 174.9 | 65.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 307 | E | 31.6 | Very low | 33.2 | Very low | 193 Ų | 193 | 125.5 Ų | 125.5 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | trans | -152.6 | 97.2 | 166.2 | -127.4 | 170.6 | -123.3 | 0 | 0 | 112 | ||||
| 308 | T | 33 | Very low | 32.3 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | trans | -136.2 | 75.5 | 171.4 | 56.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 309 | N | 33.2 | Very low | 31.9 | Very low | 174 Ų | 174 | 132 Ų | 132 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | trans | -75.1 | 129.4 | 156.6 | -109.6 | -31.3 | 0 | 0 | 0 | 107.8 | ||||
| 310 | V | 30.7 | Very low | 31.1 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -91.6 | 120.6 | -174 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 311 | D | 31.6 | Very low | 30.8 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -150 | 104.9 | 148.6 | -121.3 | -24.5 | 0 | 0 | 0 | 113.6 | ||||
| 312 | L | 30.4 | Very low | 30.3 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | trans | 52.3 | 116.3 | 133.3 | -95.1 | 57.6 | 0 | 0 | 0 | 122.7 | ||||
| 313 | H | 28.8 | Very low | 30.2 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | 102 | 143.5 | 143.6 | -65.6 | 107.9 | 0 | 0 | 0 | 122 | ||||
| 314 | S | 32.5 | Very low | 29.8 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 84.2 | 72.1 | 162.1 | 67.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 315 | N | 27.6 | Very low | 29.7 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | 34.7 | 112.2 | 121.9 | -53.8 | -10.4 | 0 | 0 | 0 | 120.2 | |||||
| 316 | V | 31.2 | Very low | 29.6 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | -136.4 | 132.3 | 121.3 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 317 | T | 24.9 | Very low | 29.6 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 63% | 0.632 | 79% | 0.794 | S | S | * | * | trans | -102.6 | 147.1 | -176.3 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 318 | Y | 27.1 | Very low | 29.4 | Very low | 210 Ų | 210 | 147.7 Ų | 147.7 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 165.9 | 136 | 142 | -78.7 | -40.9 | 0 | 0 | 0 | 109.2 | ||||
| 319 | K | 31.5 | Very low | 29.2 | Very low | 185 Ų | 185 | 151.2 Ų | 151.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | cis | -163.3 | 133.6 | -10.2 | -151.8 | 171.8 | -173 | 176.8 | 0 | 107.9 | ||||
| 320 | E | 24.2 | Very low | 29 | Very low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -85.5 | 149.4 | -176.7 | -69.4 | -177.7 | 109.4 | 0 | 0 | 114.4 | ||||
| 321 | S | 32.3 | Very low | 28.9 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -152.7 | 76.7 | 163.4 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 322 | N | 27.3 | Very low | 28.8 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | 13 | 152.4 | 131.2 | -115.3 | -1.7 | 0 | 0 | 0 | 119.6 | ||||
| 323 | P | 33.4 | Very low | 28.9 | Very low | 97 Ų | 97 | 149 Ų | 149 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | -139.5 | -177.8 | -56.1 | 36.8 | -18.4 | 0 | 0 | 0 | 113.7 | |||||
| 324 | S | 25.6 | Very low | 28.9 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | 69.4 | 163.4 | 169.3 | 73.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 325 | V | 27.8 | Very low | 28.7 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 63.3 | 73.6 | -171.4 | -162.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 326 | L | 26.7 | Very low | 28.9 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -129.7 | 108.6 | 148.3 | -86.7 | 177.5 | 0 | 0 | 0 | 110.4 | ||||
| 327 | Q | 30.2 | Very low | 28.6 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -66.9 | 156.2 | 168.1 | -66.3 | 161.8 | -66.2 | 0 | 0 | 110.2 | R329 | Q327-R329 PolarHBondContact O-N 3.06Š| ||
| 328 | R | 26.5 | Very low | 29 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 75% | 0.751 | 77% | 0.766 | S | S | * | * | trans | -60.4 | 104.4 | 177 | -53.2 | -179.1 | -166.6 | 167 | 3.6 | 110.2 | H330 E523 | R328-H330 PolarHBondContact O-N 2.62Å; R328-H330 VanDerWaalsContact O-N 3.15Å; R328-E523 IonicContact NH1-OE1 3.96Å | ||
| 329 | R | 29.2 | Very low | 29.2 | Very low | 207 Ų | 207 | 141.9 Ų | 141.9 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | -81.8 | 86.5 | 170.1 | -73.2 | -167.5 | 178.9 | -168.4 | 0.7 | 110.6 | Q327 S331 | Q327-R329 PolarHBondContact O-N 3.06Å; R329-S331 PolarHBondContact O-N 3.37Å | ||
| 330 | H | 29.6 | Very low | 29.4 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | trans | -76.2 | 68.1 | 163.2 | -73.9 | -114.7 | 0 | 0 | 0 | 109.4 | R328 | R328-H330 PolarHBondContact O-N 2.62Å; R328-H330 VanDerWaalsContact O-N 3.15Å | ||
| 331 | S | 29.1 | Very low | 29.8 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 54% | 0.538 | 75% | 0.746 | S | S | . | * | trans | -163.5 | 71 | -174.4 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | R329 | R329-S331 PolarHBondContact O-N 3.37Š| ||
| 332 | D | 28.1 | Very low | 29.9 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | -147 | 32.9 | 163.8 | -96.4 | -42.9 | 0 | 0 | 0 | 113 | S334 | D332-S334 PolarHBondContact O-N 3.08Å; D332-S334 PolarHBondContact OD1-OG 3.07Å | ||
| 333 | S | 32.6 | Very low | 30.3 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -88 | 59.9 | 163.2 | -160.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 334 | S | 28.8 | Very low | 30.8 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | -112.4 | 31.6 | -163.9 | 50 | 0 | 0 | 0 | 0 | 113.1 | D332 | D332-S334 PolarHBondContact O-N 3.08Å; D332-S334 PolarHBondContact OD1-OG 3.07Å | ||
| 335 | C | 28.8 | Very low | 31.2 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -113.1 | 22.4 | -170.2 | 63.1 | 0 | 0 | 0 | 0 | 116.7 | ||
| 336 | L | 31.1 | Very low | 31.8 | Very low | 165 Ų | 165 | 129 Ų | 129 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -159.3 | 128.8 | 149.5 | -100.3 | 174.7 | 0 | 0 | 0 | 108.5 | ||
| 337 | A | 26.4 | Very low | 33.2 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 69% | 0.686 | 70% | 0.703 | S | S | * | * | trans | -72.8 | 135.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E339 | A337-E339 VanDerWaalsContact C-N 3.31Å; A337-E339 PolarHBondContact O-N 2.93Å | ||
| 338 | P | 32.5 | Very low | 34.8 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 67% | 0.669 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -69.9 | -16.3 | -167.3 | -23.7 | 35.4 | 0 | 0 | 0 | 116.7 | I340 A341 | P338-I340 PolarHBondContact O-N 3.16Å; P338-A341 PolarHBondContact O-N 2.97Å |
| 339 | E | 32 | Very low | 36.5 | Very low | 190 Ų | 190 | 115.6 Ų | 115.6 | 89% | 0.888 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -69.5 | -0.2 | -157.8 | -57.8 | -167.2 | 141.3 | 0 | 0 | 116.8 | A337 | A337-E339 VanDerWaalsContact C-N 3.31Å; A337-E339 PolarHBondContact O-N 2.93Å |
| 340 | I | 34.9 | Very low | 38.6 | Very low | 144 Ų | 144 | 108 Ų | 108 | 74% | 0.738 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -116.3 | -12.9 | -179.7 | -57.1 | 179.8 | 0 | 0 | 0 | 112.4 | P338 N342 | P338-I340 PolarHBondContact O-N 3.16Å; I340-N342 PolarHBondContact O-N 2.92Å |
| 341 | A | 33.4 | Very low | 40.9 | Very low | 62 Ų | 62 | 101.1 Ų | 101.1 | 51% | 0.512 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -74.7 | -27.6 | -165 | 0 | 0 | 0 | 0 | 0 | 115.8 | P338 S343 H344 | P338-A341 PolarHBondContact O-N 2.97Å; A341-S343 VanDerWaalsContact C-N 3.28Å; A341-S343 PolarHBondContact O-N 3.34Å; A341-S343 VanDerWaalsContact O-N 3.15Å; A341-H344 PolarHBondContact O-N 3.36Å |
| 342 | N | 33.7 | Very low | 43.2 | Very low | 150 Ų | 150 | 99.3 Ų | 99.3 | 80% | 0.802 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -72.5 | -11.4 | -163.1 | -70.6 | -5.9 | 0 | 0 | 0 | 115.5 | I340 | I340-N342 PolarHBondContact O-N 2.92Š|
| 343 | S | 37 | Very low | 45.8 | Very low | 99 Ų | 99 | 93.6 Ų | 93.6 | 69% | 0.692 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -87.7 | -21.2 | 177.5 | 56.1 | 0 | 0 | 0 | 0 | 114.3 | A341 | A341-S343 VanDerWaalsContact C-N 3.28Å; A341-S343 PolarHBondContact O-N 3.34Å; A341-S343 VanDerWaalsContact O-N 3.15Å |
| 344 | H | 42.6 | Very low | 48.1 | Very low | 112 Ų | 112 | 87.8 Ų | 87.8 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -4.3 | -175.2 | -83.2 | -95.2 | 0 | 0 | 0 | 114.5 | A341 G346 Q347 | A341-H344 PolarHBondContact O-N 3.36Å; H344-G346 PolarHBondContact O-N 3.12Å; H344-G346 VanDerWaalsContact O-N 3.07Å; H344-Q347 VanDerWaalsContact ND1-CD 3.27Å; H344-Q347 PolarHBondContact ND1-NE2 3.42Å; H344-Q347 PolarHBondContact ND1-OE1 2.84Å; H344-Q347 PolarHBondContact O-N 2.75Å; H344-Q347 VanDerWaalsContact O-N 3.15Å |
| 345 | L | 35 | Very low | 50.8 | Low | 80 Ų | 80 | 84.1 Ų | 84.1 | 42% | 0.419 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.6 | -172.3 | -160 | 69.4 | 0 | 0 | 0 | 113.9 | K266 L510 | K266-L345 VanDerWaalsContact NZ-CD1 3.32Å; L345-L510 HydrophobicContact CD2-CD2 4.21Å |
| 346 | G | 40.2 | Very low | 53.6 | Low | 70 Ų | 70 | 80.2 Ų | 80.2 | 72% | 0.722 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 4.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | H344 | H344-G346 PolarHBondContact O-N 3.12Å; H344-G346 VanDerWaalsContact O-N 3.07Å |
| 347 | Q | 56.6 | Low | 56.3 | Low | 124 Ų | 124 | 72.9 Ų | 72.9 | 58% | 0.579 | 45% | 0.446 | S | S | * | . | trans | -87 | -7.5 | -170.7 | -72.7 | -168.8 | -21.4 | 0 | 0 | 116.7 | H344 P349 | H344-Q347 VanDerWaalsContact ND1-CD 3.27Å; H344-Q347 PolarHBondContact ND1-NE2 3.42Å; H344-Q347 PolarHBondContact ND1-OE1 2.84Å; H344-Q347 PolarHBondContact O-N 2.75Å; H344-Q347 VanDerWaalsContact O-N 3.15Å; Q347-P349 WeakPolarHBondContact O-CD 3.3Å | ||
| 348 | L | 62.4 | Low | 59.2 | Low | 15 Ų | 15 | 74.3 Ų | 74.3 | 8% | 0.079 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -98.7 | 115.4 | 178.4 | -168 | 75.1 | 0 | 0 | 0 | 111.1 | A265 G350 I351 M354 | A265-L348 HydrophobicContact CB-CD2 3.8Å; L348-G350 PolarHBondContact O-N 2.93Å; L348-I351 HydrophobicContact CB-CB 4.41Å; L348-I351 HydrophobicContact CD2-CD1 4.38Å; L348-I351 WeakPolarHBondContact O-CB 3.4Å; L348-I351 WeakPolarHBondContact O-CG2 3.37Å; L348-I351 PolarHBondContact O-N 3.06Å; L348-M354 HydrophobicContact CD2-SD 3.83Å |
| 349 | P | 61.8 | Low | 61.8 | Low | 109 Ų | 109 | 71.9 Ų | 71.9 | 71% | 0.708 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 134.3 | 177.9 | -26.1 | 35.3 | 0 | 0 | 0 | 112.2 | Q347 I351 | Q347-P349 WeakPolarHBondContact O-CD 3.3Å; P349-I351 VanDerWaalsContact C-N 3.3Å; P349-I351 PolarHBondContact O-N 3.39Å |
| 350 | G | 72.9 | Confident | 64.7 | Low | 47 Ų | 47 | 63 Ų | 63 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 10.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L348 A352 S353 M354 | L348-G350 PolarHBondContact O-N 2.93Å; G350-A352 VanDerWaalsContact C-N 3.31Å; G350-A352 PolarHBondContact O-N 3.4Å; G350-S353 CarbonylContact O-C 3.26Å; G350-S353 WeakPolarHBondContact O-CA 3.32Å; G350-S353 WeakPolarHBondContact O-CB 3.35Å; G350-S353 PolarHBondContact O-N 3.43Å; G350-M354 PolarHBondContact O-N 3.08Å |
| 351 | I | 77.9 | Confident | 67.3 | Low | 24 Ų | 24 | 58.5 Ų | 58.5 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -51.2 | -43.6 | -179.4 | -177.5 | 59.4 | 0 | 0 | 0 | 113.8 | V262 L348 P349 S353 M354 L355 | V262-I351 HydrophobicContact CB-CD1 4.48Å; V262-I351 HydrophobicContact CG1-CD1 3.61Å; V262-I351 HydrophobicContact CG2-CD1 4.14Å; L348-I351 HydrophobicContact CB-CB 4.41Å; L348-I351 HydrophobicContact CD2-CD1 4.38Å; L348-I351 WeakPolarHBondContact O-CB 3.4Å; L348-I351 WeakPolarHBondContact O-CG2 3.37Å; L348-I351 PolarHBondContact O-N 3.06Å; P349-I351 VanDerWaalsContact C-N 3.3Å; P349-I351 PolarHBondContact O-N 3.39Å; I351-S353 PolarHBondContact O-N 2.88Å; I351-M354 WeakPolarHBondContact O-CB 3.23Å; I351-M354 PolarHBondContact O-N 3.33Å; I351-M354 VanDerWaalsContact O-N 3.17Å; I351-L355 HydrophobicContact CG1-CD1 4.42Å; I351-L355 WeakPolarHBondContact O-CG 3.12Å; I351-L355 PolarHBondContact O-N 3.28Å |
| 352 | A | 78.4 | Confident | 70 | Confident | 39 Ų | 39 | 57 Ų | 57 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G350 M354 L355 H356 | G350-A352 VanDerWaalsContact C-N 3.31Å; G350-A352 PolarHBondContact O-N 3.4Å; A352-M354 VanDerWaalsContact C-N 3.34Å; A352-M354 PolarHBondContact O-N 2.94Å; A352-L355 PolarHBondContact O-N 2.68Å; A352-H356 PolarHBondContact O-CD2 2.78Å; A352-H356 PolarHBondContact O-N 2.83Å |
| 353 | S | 82.5 | Confident | 72.9 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | G350 I351 R357 Y380 | G350-S353 CarbonylContact O-C 3.26Å; G350-S353 WeakPolarHBondContact O-CA 3.32Å; G350-S353 WeakPolarHBondContact O-CB 3.35Å; G350-S353 PolarHBondContact O-N 3.43Å; I351-S353 PolarHBondContact O-N 2.88Å; S353-R357 VanDerWaalsContact O-CB 3.29Å; S353-R357 WeakPolarHBondContact O-CB 3.44Å; S353-R357 WeakPolarHBondContact O-CG 3.27Å; S353-R357 PolarHBondContact O-N 3.02Å; S353-R357 PolarHBondContact O-NE 3.35Å; S353-R357 PolarHBondContact OG-NE 3.26Å; S353-Y380 WeakPolarHBondContact CA-OH 3.35Å; S353-Y380 PolarHBondContact O-OH 2.72Å; S353-Y380 PolarHBondContact OG-OH 3.18Å |
| 354 | M | 81.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 172.4 | -64.6 | 177.8 | 70 | 0 | 0 | 111.9 | L256 V257 V262 A265 L348 G350 I351 A352 R358 | L256-M354 WeakPolarHBondContact O-CE 3.29Å; V257-M354 HydrophobicContact CB-SD 4.25Å; V257-M354 HydrophobicContact CG1-CG 4.33Å; V257-M354 HydrophobicContact CG1-SD 4.14Å; V257-M354 HydrophobicContact CG2-CE 4.5Å; V257-M354 HydrophobicContact CG2-SD 3.99Å; V262-M354 HydrophobicContact CB-CE 4.42Å; V262-M354 HydrophobicContact CG2-CB 3.74Å; V262-M354 HydrophobicContact CG2-CE 3.84Å; V262-M354 HydrophobicContact CG2-SD 4.47Å; A265-M354 HydrophobicContact CB-CE 4Å; L348-M354 HydrophobicContact CD2-SD 3.83Å; G350-M354 PolarHBondContact O-N 3.08Å; I351-M354 WeakPolarHBondContact O-CB 3.23Å; I351-M354 PolarHBondContact O-N 3.33Å; I351-M354 VanDerWaalsContact O-N 3.17Å; A352-M354 VanDerWaalsContact C-N 3.34Å; A352-M354 PolarHBondContact O-N 2.94Å; M354-R358 VanDerWaalsContact O-CB 3.32Å; M354-R358 WeakPolarHBondContact O-CB 3.26Å; M354-R358 PolarHBondContact O-N 3.42Å |
| 355 | L | 84.8 | Confident | 77.8 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 177.8 | -68.9 | 170.1 | 0 | 0 | 0 | 111.8 | V262 I351 A352 R357 R358 R359 | V262-L355 HydrophobicContact CG2-CD2 4.16Å; I351-L355 HydrophobicContact CG1-CD1 4.42Å; I351-L355 WeakPolarHBondContact O-CG 3.12Å; I351-L355 PolarHBondContact O-N 3.28Å; A352-L355 PolarHBondContact O-N 2.68Å; L355-R357 PolarHBondContact O-N 3.19Å; L355-R358 WeakPolarHBondContact O-CB 3.49Å; L355-R358 PolarHBondContact O-N 3.15Å; L355-R359 PolarHBondContact O-N 3.22Å |
| 356 | H | 87 | Confident | 80.4 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 12% | 0.12 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 175.2 | -61.8 | 169.2 | 0 | 0 | 0 | 111.8 | A352 R359 L360 F379 Y380 | A352-H356 PolarHBondContact O-CD2 2.78Å; A352-H356 PolarHBondContact O-N 2.83Å; H356-R359 PolarHBondContact O-N 3.08Å; H356-L360 WeakPolarHBondContact O-CG 3.37Å; H356-L360 PolarHBondContact O-N 3.49Å; H356-F379 AromaticContact CE1-CD1 3.44Å; H356-F379 VanDerWaalsContact CE1-CD1 3.44Å; H356-F379 WeakPolarHBondContact CE1-CD1 3.26Å; H356-F379 AromaticContact CE1-CE1 3.75Å; H356-F379 AromaticContact ND1-CD1 3.68Å; H356-F379 AromaticContact ND1-CG 3.93Å; H356-F379 AromaticContact NE2-CD1 3.85Å; H356-F379 AromaticContact NE2-CE1 3.71Å; H356-Y380 HydrophobicContact CB-CE2 3.92Å; H356-Y380 WeakPolarHBondContact CB-OH 3.44Å |
| 357 | R | 88.5 | Confident | 82.9 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.2 | -34.5 | 176 | -68.9 | 179.4 | -61.5 | 118 | -5.8 | 112.4 | V257 H258 S353 L355 L360 R361 N671 V674 | V257-R357 PolarHBondContact O-NH2 3.41Å; H258-R357 PolarHBondContact O-NH1 3.02Å; S353-R357 VanDerWaalsContact O-CB 3.29Å; S353-R357 WeakPolarHBondContact O-CB 3.44Å; S353-R357 WeakPolarHBondContact O-CG 3.27Å; S353-R357 PolarHBondContact O-N 3.02Å; S353-R357 PolarHBondContact O-NE 3.35Å; S353-R357 PolarHBondContact OG-NE 3.26Å; L355-R357 PolarHBondContact O-N 3.19Å; R357-L360 PolarHBondContact O-N 3.23Å; R357-R361 PolarHBondContact O-N 2.79Å; R357-N671 WeakPolarHBondContact CD-OD1 3.25Å; R357-N671 PolarHBondContact NH1-OD1 2.81Å; R357-V674 HydrophobicContact CG-CB 4.48Å; R357-V674 HydrophobicContact CG-CG1 4.01Å |
| 358 | R | 87 | Confident | 84.5 | Confident | 113 Ų | 113 | 42.7 Ų | 42.7 | 43% | 0.426 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -44.6 | 170.2 | -177.7 | 179.4 | 174.7 | -156.9 | -3.5 | 111.4 | M354 L355 R361 A362 | M354-R358 VanDerWaalsContact O-CB 3.32Å; M354-R358 WeakPolarHBondContact O-CB 3.26Å; M354-R358 PolarHBondContact O-N 3.42Å; L355-R358 WeakPolarHBondContact O-CB 3.49Å; L355-R358 PolarHBondContact O-N 3.15Å; R358-R361 PolarHBondContact O-N 3.19Å; R358-A362 WeakPolarHBondContact O-CB 3.09Å; R358-A362 PolarHBondContact O-N 3.02Å |
| 359 | R | 88.6 | Confident | 86 | Confident | 52 Ų | 52 | 42.3 Ų | 42.3 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.2 | -160.1 | 176.6 | -167.7 | 177.6 | 4.2 | 111.2 | L355 H356 A362 L363 L513 D516 | L355-R359 PolarHBondContact O-N 3.22Å; H356-R359 PolarHBondContact O-N 3.08Å; R359-A362 PolarHBondContact O-N 3.47Å; R359-L363 HydrophobicContact CG-CD1 4.44Å; R359-L363 VanDerWaalsContact O-CG 3.3Å; R359-L363 WeakPolarHBondContact O-CG 3.22Å; R359-L363 PolarHBondContact O-N 2.98Å; R359-L513 VanDerWaalsContact NH1-CD2 3.3Å; R359-D516 IonicContact CZ-OD2 2.68Å; R359-D516 IonicContact NE-OD2 3.43Å; R359-D516 PolarHBondContact NE-OD2 3.25Å; R359-D516 IonicContact NH2-OD2 3.27Å; R359-D516 PolarHBondContact NH2-OD2 3.33Å |
| 360 | L | 91.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58 | -49.6 | 174 | -75.2 | 167.3 | 0 | 0 | 0 | 112.5 | H356 R357 A362 L363 C364 A372 T375 L376 Y380 I670 | H356-L360 WeakPolarHBondContact O-CG 3.37Å; H356-L360 PolarHBondContact O-N 3.49Å; R357-L360 PolarHBondContact O-N 3.23Å; L360-A362 VanDerWaalsContact C-N 3.32Å; L360-A362 PolarHBondContact O-N 2.67Å; L360-L363 PolarHBondContact O-N 3.06Å; L360-C364 PolarHBondContact O-N 2.95Å; L360-C364 PolarHBondContact O-SG 3.11Å; L360-C364 VanDerWaalsContact O-SG 3.42Å; L360-A372 WeakPolarHBondContact CD2-O 3.46Å; L360-T375 HydrophobicContact CD2-CG2 3.68Å; L360-T375 HydrophobicContact CG-CG2 3.97Å; L360-L376 HydrophobicContact CD1-CD1 4.16Å; L360-L376 HydrophobicContact CD2-CB 4.04Å; L360-Y380 HydrophobicContact CD1-CD2 4.07Å; L360-Y380 HydrophobicContact CD1-CE2 3.9Å; L360-I670 HydrophobicContact CD1-CG2 4.06Å |
| 361 | R | 90.9 | Very high | 88.2 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 19% | 0.185 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 176.6 | -176.7 | 179.4 | -72.6 | 157.1 | -6.3 | 112.1 | H259 R357 R358 C364 R365 A667 | H259-R361 PolarHBondContact O-NH1 3.22Å; R357-R361 PolarHBondContact O-N 2.79Å; R358-R361 PolarHBondContact O-N 3.19Å; R361-C364 PolarHBondContact O-N 3.11Å; R361-R365 WeakPolarHBondContact O-CG 3.4Å; R361-R365 PolarHBondContact O-N 3.33Å; R361-A667 HydrophobicContact CB-CB 4.11Å; R361-A667 HydrophobicContact CG-CB 3.84Å |
| 362 | A | 90.5 | Very high | 88.9 | Confident | 30 Ų | 30 | 40 Ų | 40 | 25% | 0.248 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | R358 R359 L360 R365 R366 | R358-A362 WeakPolarHBondContact O-CB 3.09Å; R358-A362 PolarHBondContact O-N 3.02Å; R359-A362 PolarHBondContact O-N 3.47Å; L360-A362 VanDerWaalsContact C-N 3.32Å; L360-A362 PolarHBondContact O-N 2.67Å; A362-R365 PolarHBondContact O-N 3.22Å; A362-R366 WeakPolarHBondContact O-CB 3.35Å; A362-R366 WeakPolarHBondContact O-CG 3.22Å; A362-R366 PolarHBondContact O-N 3.08Å |
| 363 | L | 93.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 176 | -68.6 | 168.4 | 0 | 0 | 0 | 112 | R359 L360 R366 C367 Q368 R371 A372 T375 | R359-L363 HydrophobicContact CG-CD1 4.44Å; R359-L363 VanDerWaalsContact O-CG 3.3Å; R359-L363 WeakPolarHBondContact O-CG 3.22Å; R359-L363 PolarHBondContact O-N 2.98Å; L360-L363 PolarHBondContact O-N 3.06Å; L363-R366 CarbonylContact O-C 3.56Å; L363-R366 PolarHBondContact O-N 3.27Å; L363-C367 PolarHBondContact O-N 2.78Å; L363-C367 VanDerWaalsContact O-N 3.08Å; L363-Q368 HydrophobicContact CD2-CB 3.99Å; L363-Q368 PolarHBondContact O-N 3.49Å; L363-R371 HydrophobicContact CD1-CB 4.34Å; L363-R371 HydrophobicContact CD2-CB 3.98Å; L363-A372 HydrophobicContact CB-CB 3.92Å; L363-T375 HydrophobicContact CD1-CG2 4.37Å; L363-T375 WeakPolarHBondContact CD1-OG1 3.28Å |
| 364 | C | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 173.1 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | L360 R361 C367 I666 A667 | L360-C364 PolarHBondContact O-N 2.95Å; L360-C364 PolarHBondContact O-SG 3.11Å; L360-C364 VanDerWaalsContact O-SG 3.42Å; R361-C364 PolarHBondContact O-N 3.11Å; C364-C367 WeakPolarHBondContact O-CA 3.34Å; C364-C367 PolarHBondContact O-N 2.94Å; C364-I666 HydrophobicContact CB-CG2 4.46Å; C364-A667 HydrophobicContact CB-CB 3.95Å |
| 365 | R | 90.2 | Very high | 90.5 | Very high | 135 Ų | 135 | 41.1 Ų | 41.1 | 51% | 0.509 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 177 | -74 | 178.7 | 175.7 | -159.8 | -7.4 | 113.3 | R361 A362 C367 D664 | R361-R365 WeakPolarHBondContact O-CG 3.4Å; R361-R365 PolarHBondContact O-N 3.33Å; A362-R365 PolarHBondContact O-N 3.22Å; R365-C367 PolarHBondContact O-N 3.27Å; R365-D664 IonicContact CZ-OD1 2.74Å; R365-D664 VanDerWaalsContact CZ-OD1 3.22Å; R365-D664 IonicContact CZ-OD2 2.66Å; R365-D664 VanDerWaalsContact NE-CG 3.35Å; R365-D664 IonicContact NE-OD1 3.49Å; R365-D664 PolarHBondContact NE-OD1 2.95Å; R365-D664 IonicContact NE-OD2 3.22Å; R365-D664 PolarHBondContact NE-OD2 3.06Å; R365-D664 VanDerWaalsContact NE-OD2 3.08Å; R365-D664 IonicContact NH2-OD1 2.81Å; R365-D664 PolarHBondContact NH2-OD1 2.99Å; R365-D664 IonicContact NH2-OD2 2.75Å; R365-D664 PolarHBondContact NH2-OD2 3.46Å |
| 366 | R | 89.7 | Confident | 90.8 | Very high | 123 Ų | 123 | 40.3 Ų | 40.3 | 46% | 0.464 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 1.4 | 171.5 | -68.5 | 178.1 | 173.3 | 169.2 | -3.5 | 113.2 | A362 L363 Q368 | A362-R366 WeakPolarHBondContact O-CB 3.35Å; A362-R366 WeakPolarHBondContact O-CG 3.22Å; A362-R366 PolarHBondContact O-N 3.08Å; L363-R366 CarbonylContact O-C 3.56Å; L363-R366 PolarHBondContact O-N 3.27Å; R366-Q368 HydrophobicContact CB-CG 4.25Å; R366-Q368 PolarHBondContact O-N 3.48Å; R366-Q368 VanDerWaalsContact O-N 3.14Å |
| 367 | C | 91.4 | Very high | 91 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 8% | 0.081 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 20.3 | -176 | -53.5 | 0 | 0 | 0 | 0 | 115.9 | L363 C364 R365 Y369 E401 R663 | L363-C367 PolarHBondContact O-N 2.78Å; L363-C367 VanDerWaalsContact O-N 3.08Å; C364-C367 WeakPolarHBondContact O-CA 3.34Å; C364-C367 PolarHBondContact O-N 2.94Å; R365-C367 PolarHBondContact O-N 3.27Å; C367-Y369 HydrophobicContact CB-CD2 4.14Å; C367-Y369 HydrophobicContact CB-CE2 3.68Å; C367-Y369 WeakPolarHBondContact O-CD2 3.47Å; C367-Y369 PolarHBondContact O-N 3.37Å; C367-E401 HydrophobicContact CB-CB 4.49Å; C367-E401 HydrophobicContact CB-CG 3.7Å; C367-E401 PolarHBondContact SG-OE1 3.12Å; C367-E401 PolarHBondContact SG-OE2 2.69Å; C367-R663 PolarHBondContact SG-NE 3.18Å; C367-R663 PolarHBondContact SG-NH2 3Å; C367-R663 VanDerWaalsContact SG-NH2 3.4Å |
| 368 | Q | 91.6 | Very high | 91.2 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 27% | 0.271 | 22% | 0.221 | S | C | . | . | trans | -80.8 | 55.9 | 178 | -66.5 | -174.9 | -14.3 | 0 | 0 | 110 | L363 R366 G370 R371 A372 | L363-Q368 HydrophobicContact CD2-CB 3.99Å; L363-Q368 PolarHBondContact O-N 3.49Å; R366-Q368 HydrophobicContact CB-CG 4.25Å; R366-Q368 PolarHBondContact O-N 3.48Å; R366-Q368 VanDerWaalsContact O-N 3.14Å; Q368-G370 VanDerWaalsContact C-N 3.28Å; Q368-G370 PolarHBondContact O-N 3.45Å; Q368-R371 HydrophobicContact CB-CB 4.23Å; Q368-R371 HydrophobicContact CB-CG 4.46Å; Q368-R371 CarbonylContact O-C 3.49Å; Q368-R371 PolarHBondContact O-N 3Å; Q368-R371 VanDerWaalsContact O-N 3.1Å; Q368-A372 PolarHBondContact O-N 3.29Å | ||
| 369 | Y | 93.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -29.9 | -170.7 | -62.8 | -73 | 0 | 0 | 0 | 113.9 | C367 A372 A373 L394 R397 Q398 E401 I666 | C367-Y369 HydrophobicContact CB-CD2 4.14Å; C367-Y369 HydrophobicContact CB-CE2 3.68Å; C367-Y369 WeakPolarHBondContact O-CD2 3.47Å; C367-Y369 PolarHBondContact O-N 3.37Å; Y369-A372 PolarHBondContact O-N 3.04Å; Y369-A373 WeakPolarHBondContact O-CB 3.25Å; Y369-A373 PolarHBondContact O-N 2.93Å; Y369-L394 HydrophobicContact CD1-CD2 3.82Å; Y369-R397 HydrophobicContact CD1-CB 4.18Å; Y369-R397 HydrophobicContact CE1-CB 3.77Å; Y369-R397 HydrophobicContact CE2-CB 4.18Å; Y369-R397 WeakPolarHBondContact CE2-O 3.24Å; Y369-Q398 HydrophobicContact CD2-CB 4.12Å; Y369-Q398 HydrophobicContact CG-CB 4.3Å; Y369-E401 HydrophobicContact CE2-CB 4.03Å; Y369-I666 HydrophobicContact CE1-CG2 4.14Å |
| 370 | G | 89.8 | Confident | 91.3 | Very high | 9 Ų | 9 | 43 Ų | 43 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -53.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q368 A372 A373 A374 | Q368-G370 VanDerWaalsContact C-N 3.28Å; Q368-G370 PolarHBondContact O-N 3.45Å; G370-A372 VanDerWaalsContact C-N 3.26Å; G370-A372 PolarHBondContact O-N 3.45Å; G370-A373 PolarHBondContact O-N 2.89Å; G370-A374 PolarHBondContact O-N 3.47Å |
| 371 | R | 91.8 | Very high | 91.3 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 46% | 0.457 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.4 | -35.4 | 172.8 | -61.9 | -179.2 | 82.1 | -158.2 | 9.9 | 111.9 | L363 Q368 T375 | L363-R371 HydrophobicContact CD1-CB 4.34Å; L363-R371 HydrophobicContact CD2-CB 3.98Å; Q368-R371 HydrophobicContact CB-CB 4.23Å; Q368-R371 HydrophobicContact CB-CG 4.46Å; Q368-R371 CarbonylContact O-C 3.49Å; Q368-R371 PolarHBondContact O-N 3Å; Q368-R371 VanDerWaalsContact O-N 3.1Å; R371-T375 VanDerWaalsContact O-CB 3.23Å; R371-T375 WeakPolarHBondContact O-CB 3.43Å; R371-T375 PolarHBondContact O-N 3.03Å; R371-T375 PolarHBondContact O-OG1 3.28Å |
| 372 | A | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -45.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L360 L363 Q368 Y369 G370 T375 L376 L394 | L360-A372 WeakPolarHBondContact CD2-O 3.46Å; L363-A372 HydrophobicContact CB-CB 3.92Å; Q368-A372 PolarHBondContact O-N 3.29Å; Y369-A372 PolarHBondContact O-N 3.04Å; G370-A372 VanDerWaalsContact C-N 3.26Å; G370-A372 PolarHBondContact O-N 3.45Å; A372-T375 PolarHBondContact O-N 3.1Å; A372-L376 VanDerWaalsContact O-CB 3.28Å; A372-L376 WeakPolarHBondContact O-CB 3.42Å; A372-L376 PolarHBondContact O-N 2.8Å; A372-L394 HydrophobicContact CB-CD2 4.24Å |
| 373 | A | 92.2 | Very high | 91.1 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y369 G370 L376 N377 L391 L394 | Y369-A373 WeakPolarHBondContact O-CB 3.25Å; Y369-A373 PolarHBondContact O-N 2.93Å; G370-A373 PolarHBondContact O-N 2.89Å; A373-L376 PolarHBondContact O-N 2.9Å; A373-N377 WeakPolarHBondContact O-CB 3.35Å; A373-N377 PolarHBondContact O-N 3.01Å; A373-L391 HydrophobicContact CB-CD2 3.9Å; A373-L394 HydrophobicContact CB-CD1 4.05Å |
| 374 | A | 91.3 | Very high | 90.9 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 52% | 0.521 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.4 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G370 N377 R378 | G370-A374 PolarHBondContact O-N 3.47Å; A374-N377 PolarHBondContact O-N 3.45Å; A374-R378 WeakPolarHBondContact O-CB 3.43Å; A374-R378 PolarHBondContact O-N 3.18Å |
| 375 | T | 91.3 | Very high | 90.6 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.1 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | L360 L363 R371 A372 N377 R378 F379 | L360-T375 HydrophobicContact CD2-CG2 3.68Å; L360-T375 HydrophobicContact CG-CG2 3.97Å; L363-T375 HydrophobicContact CD1-CG2 4.37Å; L363-T375 WeakPolarHBondContact CD1-OG1 3.28Å; R371-T375 VanDerWaalsContact O-CB 3.23Å; R371-T375 WeakPolarHBondContact O-CB 3.43Å; R371-T375 PolarHBondContact O-N 3.03Å; R371-T375 PolarHBondContact O-OG1 3.28Å; A372-T375 PolarHBondContact O-N 3.1Å; T375-N377 PolarHBondContact O-N 2.95Å; T375-R378 PolarHBondContact O-N 2.87Å; T375-F379 HydrophobicContact CG2-CD2 3.75Å; T375-F379 HydrophobicContact CG2-CE2 4.06Å; T375-F379 WeakPolarHBondContact O-CD2 3.37Å; T375-F379 PolarHBondContact O-N 3.12Å |
| 376 | L | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 178 | -175 | 60.6 | 0 | 0 | 0 | 111.2 | L360 A372 A373 Y380 V383 L384 L390 L394 I670 V674 | L360-L376 HydrophobicContact CD1-CD1 4.16Å; L360-L376 HydrophobicContact CD2-CB 4.04Å; A372-L376 VanDerWaalsContact O-CB 3.28Å; A372-L376 WeakPolarHBondContact O-CB 3.42Å; A372-L376 PolarHBondContact O-N 2.8Å; A373-L376 PolarHBondContact O-N 2.9Å; L376-Y380 HydrophobicContact CD1-CD2 4.21Å; L376-Y380 CarbonylContact O-C 3.54Å; L376-Y380 VanDerWaalsContact O-C 3.26Å; L376-Y380 VanDerWaalsContact O-CA 3.32Å; L376-Y380 WeakPolarHBondContact O-CA 3.49Å; L376-Y380 WeakPolarHBondContact O-CB 3.37Å; L376-Y380 PolarHBondContact O-N 3.04Å; L376-V383 HydrophobicContact CD1-CG1 4.43Å; L376-L384 HydrophobicContact CD2-CD2 3.7Å; L376-L384 HydrophobicContact CD2-CG 4.43Å; L376-L384 HydrophobicContact CG-CD1 4.32Å; L376-L384 HydrophobicContact CG-CD2 4.04Å; L376-L384 HydrophobicContact CG-CG 4.23Å; L376-L390 HydrophobicContact CD2-CD2 3.83Å; L376-L390 HydrophobicContact CD2-CG 4.09Å; L376-L394 HydrophobicContact CD2-CD1 4Å; L376-I670 HydrophobicContact CD1-CG2 3.98Å; L376-I670 HydrophobicContact CD2-CG2 4.4Å; L376-V674 HydrophobicContact CD1-CG2 4.04Å |
| 377 | N | 91.1 | Very high | 90.3 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.2 | -35.9 | 175.6 | -167.3 | 65.1 | 0 | 0 | 0 | 113.3 | A373 A374 T375 L384 | A373-N377 WeakPolarHBondContact O-CB 3.35Å; A373-N377 PolarHBondContact O-N 3.01Å; A374-N377 PolarHBondContact O-N 3.45Å; T375-N377 PolarHBondContact O-N 2.95Å; N377-L384 HydrophobicContact CB-CD1 3.74Å |
| 378 | R | 91.4 | Very high | 90.2 | Very high | 147 Ų | 147 | 49.8 Ų | 49.8 | 56% | 0.555 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68.6 | -41.7 | 178.2 | 176.7 | 173.9 | 170.8 | 178.5 | -6.4 | 112.6 | A374 T375 E512 | A374-R378 WeakPolarHBondContact O-CB 3.43Å; A374-R378 PolarHBondContact O-N 3.18Å; T375-R378 PolarHBondContact O-N 2.87Å; R378-E512 IonicContact NH2-OE2 2.75Å; R378-E512 PolarHBondContact NH2-OE2 3.48Å |
| 379 | F | 88.5 | Confident | 90.3 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 16% | 0.158 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -104.1 | -19.5 | -172 | -66.3 | -71 | 0 | 0 | 0 | 114.6 | H356 T375 L509 | H356-F379 AromaticContact CE1-CD1 3.44Å; H356-F379 VanDerWaalsContact CE1-CD1 3.44Å; H356-F379 WeakPolarHBondContact CE1-CD1 3.26Å; H356-F379 AromaticContact CE1-CE1 3.75Å; H356-F379 AromaticContact ND1-CD1 3.68Å; H356-F379 AromaticContact ND1-CG 3.93Å; H356-F379 AromaticContact NE2-CD1 3.85Å; H356-F379 AromaticContact NE2-CE1 3.71Å; T375-F379 HydrophobicContact CG2-CD2 3.75Å; T375-F379 HydrophobicContact CG2-CE2 4.06Å; T375-F379 WeakPolarHBondContact O-CD2 3.37Å; T375-F379 PolarHBondContact O-N 3.12Å; F379-L509 HydrophobicContact CE1-CD2 4Å |
| 380 | Y | 90.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | trans | -142.4 | 52.5 | -175.9 | -55 | -75.8 | 0 | 0 | 0 | 113.2 | S353 H356 L360 L376 Q382 V383 V674 H678 | S353-Y380 WeakPolarHBondContact CA-OH 3.35Å; S353-Y380 PolarHBondContact O-OH 2.72Å; S353-Y380 PolarHBondContact OG-OH 3.18Å; H356-Y380 HydrophobicContact CB-CE2 3.92Å; H356-Y380 WeakPolarHBondContact CB-OH 3.44Å; L360-Y380 HydrophobicContact CD1-CD2 4.07Å; L360-Y380 HydrophobicContact CD1-CE2 3.9Å; L376-Y380 HydrophobicContact CD1-CD2 4.21Å; L376-Y380 CarbonylContact O-C 3.54Å; L376-Y380 VanDerWaalsContact O-C 3.26Å; L376-Y380 VanDerWaalsContact O-CA 3.32Å; L376-Y380 WeakPolarHBondContact O-CA 3.49Å; L376-Y380 WeakPolarHBondContact O-CB 3.37Å; L376-Y380 PolarHBondContact O-N 3.04Å; Y380-Q382 VanDerWaalsContact C-OE1 3.26Å; Y380-Q382 PolarHBondContact O-N 2.8Å; Y380-Q382 VanDerWaalsContact O-N 3.15Å; Y380-V383 HydrophobicContact CG-CG2 4.48Å; Y380-V383 WeakPolarHBondContact O-CB 3.46Å; Y380-V383 PolarHBondContact O-N 2.89Å; Y380-V674 HydrophobicContact CD1-CG1 3.66Å; Y380-V674 HydrophobicContact CD1-CG2 4.35Å; Y380-V674 HydrophobicContact CD2-CG1 4.33Å; Y380-V674 HydrophobicContact CD2-CG2 3.93Å; Y380-V674 HydrophobicContact CE1-CG1 3.34Å; Y380-V674 HydrophobicContact CE2-CG1 4.05Å; Y380-V674 HydrophobicContact CE2-CG2 4.18Å; Y380-V674 HydrophobicContact CG-CG1 4.14Å; Y380-V674 HydrophobicContact CG-CG2 4Å; Y380-H678 AromaticContact CD1-NE2 3.42Å; Y380-H678 WeakPolarHBondContact CD1-NE2 3.32Å; Y380-H678 AromaticContact CE1-NE2 3.38Å; Y380-H678 WeakPolarHBondContact CE1-NE2 3.32Å | ||
| 381 | P | 90.5 | Very high | 90.4 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -54.3 | -36.1 | 180 | 24 | -34.4 | 0 | 0 | 0 | 112.7 | V383 L384 E385 | P381-V383 PolarHBondContact O-N 2.99Å; P381-V383 VanDerWaalsContact O-N 3.17Å; P381-L384 CarbonylContact O-C 3.31Å; P381-L384 WeakPolarHBondContact O-CA 3.46Å; P381-L384 PolarHBondContact O-N 3.16Å; P381-E385 PolarHBondContact O-N 3.14Å |
| 382 | Q | 88.6 | Confident | 90.5 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -23.6 | 176.9 | 74.6 | -75.8 | 5.4 | 0 | 0 | 114.1 | Y380 R386 A677 H678 | Y380-Q382 VanDerWaalsContact C-OE1 3.26Å; Y380-Q382 PolarHBondContact O-N 2.8Å; Y380-Q382 VanDerWaalsContact O-N 3.15Å; Q382-R386 WeakPolarHBondContact O-CB 3.42Å; Q382-R386 WeakPolarHBondContact O-CG 3.24Å; Q382-R386 PolarHBondContact O-N 3.04Å; Q382-R386 VanDerWaalsContact O-N 3.08Å; Q382-A677 HydrophobicContact CG-CB 4.22Å; Q382-H678 PolarHBondContact NE2-CE1 3.39Å; Q382-H678 VanDerWaalsContact NE2-CE1 3.32Å; Q382-H678 PolarHBondContact NE2-NE2 2.85Å |
| 383 | V | 88.6 | Confident | 90.5 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.2 | -37.4 | 172.7 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | L376 Y380 P381 C387 L390 A673 V674 A677 | L376-V383 HydrophobicContact CD1-CG1 4.43Å; Y380-V383 HydrophobicContact CG-CG2 4.48Å; Y380-V383 WeakPolarHBondContact O-CB 3.46Å; Y380-V383 PolarHBondContact O-N 2.89Å; P381-V383 PolarHBondContact O-N 2.99Å; P381-V383 VanDerWaalsContact O-N 3.17Å; V383-C387 WeakPolarHBondContact O-CA 3.43Å; V383-C387 WeakPolarHBondContact O-CB 3.33Å; V383-C387 PolarHBondContact O-N 3.35Å; V383-L390 HydrophobicContact CG1-CD2 3.95Å; V383-A673 HydrophobicContact CG1-CB 3.81Å; V383-V674 HydrophobicContact CG2-CB 4.44Å; V383-V674 HydrophobicContact CG2-CG2 4.05Å; V383-A677 HydrophobicContact CB-CB 4.47Å; V383-A677 HydrophobicContact CG2-CB 3.43Å; V383-A677 VanDerWaalsContact CG2-CB 3.43Å |
| 384 | L | 88.8 | Confident | 90.6 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -82.7 | -22.8 | 179.9 | -59.1 | -176.5 | 0 | 0 | 0 | 112.5 | L376 N377 P381 P388 L390 L391 | L376-L384 HydrophobicContact CD2-CD2 3.7Å; L376-L384 HydrophobicContact CD2-CG 4.43Å; L376-L384 HydrophobicContact CG-CD1 4.32Å; L376-L384 HydrophobicContact CG-CD2 4.04Å; L376-L384 HydrophobicContact CG-CG 4.23Å; N377-L384 HydrophobicContact CB-CD1 3.74Å; P381-L384 CarbonylContact O-C 3.31Å; P381-L384 WeakPolarHBondContact O-CA 3.46Å; P381-L384 PolarHBondContact O-N 3.16Å; L384-P388 VanDerWaalsContact O-CA 3.27Å; L384-P388 WeakPolarHBondContact O-CA 3.07Å; L384-P388 WeakPolarHBondContact O-CB 3.45Å; L384-P388 WeakPolarHBondContact O-CD 3.45Å; L384-P388 VanDerWaalsContact O-N 3.17Å; L384-L390 HydrophobicContact CD2-CB 4.27Å; L384-L391 HydrophobicContact CD1-CD1 4.2Å; L384-L391 HydrophobicContact CD1-CD2 3.88Å; L384-L391 HydrophobicContact CD1-CG 4.07Å; L384-L391 HydrophobicContact CD2-CD2 4.29Å; L384-L391 HydrophobicContact CD2-CG 3.97Å |
| 385 | E | 86.8 | Confident | 90.7 | Very high | 154 Ų | 154 | 43.9 Ų | 43.9 | 72% | 0.72 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -68.8 | -46.8 | 165.3 | -67.9 | 174.6 | 166.8 | 0 | 0 | 111.5 | P381 | P381-E385 PolarHBondContact O-N 3.14Å |
| 386 | R | 85.3 | Confident | 90.8 | Very high | 158 Ų | 158 | 43 Ų | 43 | 60% | 0.596 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -71.9 | -33.7 | 176.7 | -70.7 | -174.9 | -174.5 | -172.2 | 6.3 | 113 | Q382 K676 D679 | Q382-R386 WeakPolarHBondContact O-CB 3.42Å; Q382-R386 WeakPolarHBondContact O-CG 3.24Å; Q382-R386 PolarHBondContact O-N 3.04Å; Q382-R386 VanDerWaalsContact O-N 3.08Å; R386-K676 PolarHBondContact NH1-O 2.9Å; R386-K676 VanDerWaalsContact NH1-O 3.11Å; R386-D679 IonicContact NH1-OD1 3.57Å; R386-D679 IonicContact NH2-OD1 2.62Å |
| 387 | C | 88.1 | Confident | 90.9 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 34% | 0.338 | 20% | 0.203 | S | C | . | . | trans | -142.1 | 75.6 | -176 | -170.3 | 0 | 0 | 0 | 0 | 112.1 | V383 E389 L390 | V383-C387 WeakPolarHBondContact O-CA 3.43Å; V383-C387 WeakPolarHBondContact O-CB 3.33Å; V383-C387 PolarHBondContact O-N 3.35Å; C387-E389 PolarHBondContact O-N 3.45Å; C387-L390 WeakPolarHBondContact O-CB 3.48Å; C387-L390 PolarHBondContact O-N 2.75Å | ||
| 388 | P | 91 | Very high | 91.1 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.6 | 179 | 27.5 | -35.6 | 0 | 0 | 0 | 113.3 | L384 L390 L391 V620 T624 | L384-P388 VanDerWaalsContact O-CA 3.27Å; L384-P388 WeakPolarHBondContact O-CA 3.07Å; L384-P388 WeakPolarHBondContact O-CB 3.45Å; L384-P388 WeakPolarHBondContact O-CD 3.45Å; L384-P388 VanDerWaalsContact O-N 3.17Å; P388-L390 PolarHBondContact O-N 2.85Å; P388-L391 PolarHBondContact O-N 2.77Å; P388-V620 HydrophobicContact CB-CG1 4.18Å; P388-V620 HydrophobicContact CB-CG2 4.29Å; P388-V620 HydrophobicContact CG-CG1 4.2Å; P388-T624 HydrophobicContact CG-CG2 3.49Å; P388-T624 VanDerWaalsContact CG-CG2 3.49Å |
| 389 | E | 92 | Very high | 91.1 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -26.4 | 173.4 | -67.4 | -168.5 | -154.4 | 0 | 0 | 113.3 | C387 L391 V392 Q393 V620 L627 S628 T631 | C387-E389 PolarHBondContact O-N 3.45Å; E389-L391 PolarHBondContact O-N 2.85Å; E389-V392 WeakPolarHBondContact O-CA 3.42Å; E389-V392 VanDerWaalsContact O-CB 3.3Å; E389-V392 WeakPolarHBondContact O-CB 3.48Å; E389-V392 PolarHBondContact O-N 2.64Å; E389-Q393 PolarHBondContact O-N 3.36Å; E389-V620 HydrophobicContact CG-CG1 4.13Å; E389-L627 HydrophobicContact CG-CD2 3.91Å; E389-L627 WeakPolarHBondContact OE1-CA 3.29Å; E389-S628 VanDerWaalsContact CD-N 3.3Å; E389-S628 PolarHBondContact OE1-N 3.13Å; E389-S628 WeakPolarHBondContact OE2-CB 3.22Å; E389-S628 PolarHBondContact OE2-N 2.82Å; E389-S628 PolarHBondContact OE2-OG 3.45Å; E389-T631 HydrophobicContact CB-CG2 4.22Å; E389-T631 WeakPolarHBondContact OE2-CB 3.38Å; E389-T631 PolarHBondContact OE2-OG1 3.3Å |
| 390 | L | 92.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -26.9 | 179.6 | -167.1 | 54.2 | 0 | 0 | 0 | 112.4 | L376 V383 L384 C387 P388 L394 V669 I670 A673 | L376-L390 HydrophobicContact CD2-CD2 3.83Å; L376-L390 HydrophobicContact CD2-CG 4.09Å; V383-L390 HydrophobicContact CG1-CD2 3.95Å; L384-L390 HydrophobicContact CD2-CB 4.27Å; C387-L390 WeakPolarHBondContact O-CB 3.48Å; C387-L390 PolarHBondContact O-N 2.75Å; P388-L390 PolarHBondContact O-N 2.85Å; L390-L394 WeakPolarHBondContact O-CB 3.18Å; L390-L394 WeakPolarHBondContact O-CG 3.27Å; L390-L394 PolarHBondContact O-N 3.03Å; L390-L394 VanDerWaalsContact O-N 3.07Å; L390-V669 HydrophobicContact CD1-CG1 3.93Å; L390-I670 HydrophobicContact CD1-CG1 3.86Å; L390-I670 HydrophobicContact CD2-CG1 4.09Å; L390-I670 HydrophobicContact CG-CG1 4.18Å; L390-A673 HydrophobicContact CD2-CB 3.93Å |
| 391 | L | 92.6 | Very high | 91.2 | Very high | 43 Ų | 43 | 34.8 Ų | 34.8 | 23% | 0.225 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.9 | -37.7 | 169.2 | -71 | 174.6 | 0 | 0 | 0 | 112.4 | A373 L384 P388 E389 R395 L616 | A373-L391 HydrophobicContact CB-CD2 3.9Å; L384-L391 HydrophobicContact CD1-CD1 4.2Å; L384-L391 HydrophobicContact CD1-CD2 3.88Å; L384-L391 HydrophobicContact CD1-CG 4.07Å; L384-L391 HydrophobicContact CD2-CD2 4.29Å; L384-L391 HydrophobicContact CD2-CG 3.97Å; P388-L391 PolarHBondContact O-N 2.77Å; E389-L391 PolarHBondContact O-N 2.85Å; L391-R395 WeakPolarHBondContact O-CG 3.5Å; L391-R395 PolarHBondContact O-N 3.32Å; L391-L616 HydrophobicContact CB-CD1 4.5Å; L391-L616 HydrophobicContact CB-CD2 4.23Å |
| 392 | V | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -50.2 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 109 | E389 L394 R395 C396 L613 L616 V617 V620 T631 | E389-V392 WeakPolarHBondContact O-CA 3.42Å; E389-V392 VanDerWaalsContact O-CB 3.3Å; E389-V392 WeakPolarHBondContact O-CB 3.48Å; E389-V392 PolarHBondContact O-N 2.64Å; V392-L394 VanDerWaalsContact C-N 3.33Å; V392-L394 PolarHBondContact O-N 3.24Å; V392-R395 PolarHBondContact O-N 3.46Å; V392-R395 VanDerWaalsContact O-N 3.16Å; V392-C396 PolarHBondContact O-N 3.35Å; V392-C396 PolarHBondContact O-SG 3.35Å; V392-L613 HydrophobicContact CG1-CD1 4.37Å; V392-L616 HydrophobicContact CG2-CG 4.38Å; V392-V617 HydrophobicContact CG1-CG2 3.73Å; V392-V617 HydrophobicContact CG2-CG2 4.4Å; V392-V620 HydrophobicContact CG2-CB 4.06Å; V392-V620 HydrophobicContact CG2-CG1 4.13Å; V392-V620 HydrophobicContact CG2-CG2 3.83Å; V392-T631 HydrophobicContact CB-CG2 3.9Å; V392-T631 HydrophobicContact CG1-CG2 3.81Å |
| 393 | Q | 94 | Very high | 90.9 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 13% | 0.131 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.6 | -43.5 | 177.8 | -62.5 | -177 | -1.1 | 0 | 0 | 112.3 | E389 C396 R397 T631 L634 I666 | E389-Q393 PolarHBondContact O-N 3.36Å; Q393-C396 PolarHBondContact O-N 2.89Å; Q393-R397 WeakPolarHBondContact O-CG 3.48Å; Q393-R397 PolarHBondContact O-N 3.45Å; Q393-T631 HydrophobicContact CG-CG2 4.09Å; Q393-T631 PolarHBondContact NE2-OG1 2.9Å; Q393-L634 HydrophobicContact CB-CD2 4.1Å; Q393-L634 HydrophobicContact CG-CD2 4.13Å; Q393-I666 HydrophobicContact CB-CD1 4.05Å |
| 394 | L | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 174.9 | -85.8 | 169 | 0 | 0 | 0 | 112.8 | Y369 A372 A373 L376 L390 V392 R397 Q398 I666 I670 | Y369-L394 HydrophobicContact CD1-CD2 3.82Å; A372-L394 HydrophobicContact CB-CD2 4.24Å; A373-L394 HydrophobicContact CB-CD1 4.05Å; L376-L394 HydrophobicContact CD2-CD1 4Å; L390-L394 WeakPolarHBondContact O-CB 3.18Å; L390-L394 WeakPolarHBondContact O-CG 3.27Å; L390-L394 PolarHBondContact O-N 3.03Å; L390-L394 VanDerWaalsContact O-N 3.07Å; V392-L394 VanDerWaalsContact C-N 3.33Å; V392-L394 PolarHBondContact O-N 3.24Å; L394-R397 PolarHBondContact O-N 2.95Å; L394-Q398 PolarHBondContact O-N 2.91Å; L394-I666 HydrophobicContact CD2-CD1 4.03Å; L394-I666 HydrophobicContact CG-CD1 4.12Å; L394-I670 HydrophobicContact CD1-CD1 4.2Å; L394-I670 HydrophobicContact CD2-CD1 3.92Å; L394-I670 HydrophobicContact CG-CD1 4.25Å |
| 395 | R | 93.4 | Very high | 90.6 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.3 | -32.8 | 177.7 | -68.9 | -65.1 | -163.4 | 173.3 | 7.7 | 112.3 | L391 V392 Q398 F399 F609 L613 L616 | L391-R395 WeakPolarHBondContact O-CG 3.5Å; L391-R395 PolarHBondContact O-N 3.32Å; V392-R395 PolarHBondContact O-N 3.46Å; V392-R395 VanDerWaalsContact O-N 3.16Å; R395-Q398 VanDerWaalsContact CD-OE1 3.23Å; R395-Q398 WeakPolarHBondContact O-CB 3.37Å; R395-Q398 PolarHBondContact O-N 3.29Å; R395-F399 PolarHBondContact O-N 2.91Å; R395-F609 HydrophobicContact CB-CE1 4.42Å; R395-F609 HydrophobicContact CB-CZ 4.16Å; R395-F609 WeakPolarHBondContact O-CE1 3.35Å; R395-L613 HydrophobicContact CB-CD1 3.86Å; R395-L616 HydrophobicContact CB-CD2 4.19Å; R395-L616 HydrophobicContact CG-CD2 3.72Å |
| 396 | C | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 169.8 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | V392 Q393 Q398 F399 I400 L634 | V392-C396 PolarHBondContact O-N 3.35Å; V392-C396 PolarHBondContact O-SG 3.35Å; Q393-C396 PolarHBondContact O-N 2.89Å; C396-Q398 VanDerWaalsContact C-N 3.34Å; C396-Q398 PolarHBondContact O-N 3.45Å; C396-F399 WeakPolarHBondContact O-CB 3.37Å; C396-F399 PolarHBondContact O-N 3.5Å; C396-F399 VanDerWaalsContact O-N 3.14Å; C396-I400 WeakPolarHBondContact O-CD1 3.34Å; C396-I400 VanDerWaalsContact O-CG1 3.25Å; C396-I400 WeakPolarHBondContact O-CG1 3.37Å; C396-I400 PolarHBondContact O-N 3.36Å; C396-L634 HydrophobicContact CB-CD2 4.22Å; C396-L634 HydrophobicContact CB-CG 4.01Å |
| 397 | R | 94.2 | Very high | 90.2 | Very high | 15 Ų | 15 | 26 Ų | 26 | 6% | 0.057 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.8 | -32 | 175.7 | -68.3 | -68.4 | 172.7 | -175.6 | 0.6 | 113.1 | Y369 Q393 L394 E401 L657 W662 I666 | Y369-R397 HydrophobicContact CD1-CB 4.18Å; Y369-R397 HydrophobicContact CE1-CB 3.77Å; Y369-R397 HydrophobicContact CE2-CB 4.18Å; Y369-R397 WeakPolarHBondContact CE2-O 3.24Å; Q393-R397 WeakPolarHBondContact O-CG 3.48Å; Q393-R397 PolarHBondContact O-N 3.45Å; L394-R397 PolarHBondContact O-N 2.95Å; R397-E401 PolarHBondContact O-N 3.39Å; R397-E401 VanDerWaalsContact O-N 3.07Å; R397-L657 PolarHBondContact NH1-O 2.69Å; R397-L657 VanDerWaalsContact NH1-O 3.08Å; R397-W662 VanDerWaalsContact NH1-CB 3.3Å; R397-W662 VanDerWaalsContact NH2-CD2 3.25Å; R397-I666 HydrophobicContact CB-CD1 4.35Å; R397-I666 HydrophobicContact CG-CD1 3.81Å |
| 398 | Q | 93.7 | Very high | 89.8 | Confident | 42 Ų | 42 | 27.3 Ų | 27.3 | 20% | 0.196 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 168.7 | -164.9 | 174.7 | 6.1 | 0 | 0 | 112 | Y369 L394 R395 C396 M402 F609 | Y369-Q398 HydrophobicContact CD2-CB 4.12Å; Y369-Q398 HydrophobicContact CG-CB 4.3Å; L394-Q398 PolarHBondContact O-N 2.91Å; R395-Q398 VanDerWaalsContact CD-OE1 3.23Å; R395-Q398 WeakPolarHBondContact O-CB 3.37Å; R395-Q398 PolarHBondContact O-N 3.29Å; C396-Q398 VanDerWaalsContact C-N 3.34Å; C396-Q398 PolarHBondContact O-N 3.45Å; Q398-M402 WeakPolarHBondContact O-CB 3.46Å; Q398-M402 PolarHBondContact O-N 3.06Å; Q398-F609 HydrophobicContact CB-CE2 4.35Å; Q398-F609 HydrophobicContact CB-CZ 3.82Å; Q398-F609 VanDerWaalsContact CD-CE2 3.49Å; Q398-F609 HydrophobicContact CG-CE2 3.93Å; Q398-F609 HydrophobicContact CG-CZ 3.92Å |
| 399 | F | 92 | Very high | 89.2 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -47.1 | 177.4 | -167.2 | -112.3 | 0 | 0 | 0 | 112.2 | R395 C396 E401 M402 M403 H606 F609 S638 L642 | R395-F399 PolarHBondContact O-N 2.91Å; C396-F399 WeakPolarHBondContact O-CB 3.37Å; C396-F399 PolarHBondContact O-N 3.5Å; C396-F399 VanDerWaalsContact O-N 3.14Å; F399-E401 PolarHBondContact O-N 2.81Å; F399-M402 HydrophobicContact CD2-CE 3.39Å; F399-M402 HydrophobicContact CE2-CE 3.63Å; F399-M402 HydrophobicContact CG-CE 4.45Å; F399-M402 PolarHBondContact O-N 3.03Å; F399-M403 HydrophobicContact CD1-SD 4.34Å; F399-M403 HydrophobicContact CE1-CG 4.32Å; F399-M403 HydrophobicContact CE1-SD 3.73Å; F399-M403 HydrophobicContact CZ-CG 4.44Å; F399-M403 HydrophobicContact CZ-SD 4.1Å; F399-M403 WeakPolarHBondContact O-CG 3.46Å; F399-M403 PolarHBondContact O-N 2.96Å; F399-H606 HydrophobicContact CE2-CB 4.47Å; F399-F609 HydrophobicContact CB-CD1 4.12Å; F399-F609 HydrophobicContact CB-CE1 3.85Å; F399-F609 HydrophobicContact CD2-CB 4.45Å; F399-F609 AromaticContact CD2-CD1 3.48Å; F399-F609 HydrophobicContact CD2-CD1 3.48Å; F399-F609 VanDerWaalsContact CD2-CD1 3.48Å; F399-F609 HydrophobicContact CD2-CE1 4.11Å; F399-F609 HydrophobicContact CD2-CG 4.23Å; F399-F609 HydrophobicContact CE2-CD1 4.33Å; F399-F609 HydrophobicContact CG-CD1 4.21Å; F399-F609 HydrophobicContact CG-CE1 4.42Å; F399-S638 VanDerWaalsContact CD1-O 3.3Å; F399-S638 WeakPolarHBondContact CD1-O 3.26Å; F399-S638 VanDerWaalsContact CE1-O 3.29Å; F399-S638 WeakPolarHBondContact CE1-O 3.49Å; F399-L642 HydrophobicContact CE1-CD1 4.36Å; F399-L642 HydrophobicContact CE1-CD2 4.47Å; F399-L642 HydrophobicContact CE1-CG 4.09Å; F399-L642 HydrophobicContact CZ-CD1 3.9Å; F399-L642 HydrophobicContact CZ-CD2 3.89Å; F399-L642 HydrophobicContact CZ-CG 3.84Å |
| 400 | I | 91.5 | Very high | 88.3 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.036 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57 | -46.6 | 177.1 | -69 | 158.2 | 0 | 0 | 0 | 111.4 | C396 M403 R404 L634 L641 L657 L658 | C396-I400 WeakPolarHBondContact O-CD1 3.34Å; C396-I400 VanDerWaalsContact O-CG1 3.25Å; C396-I400 WeakPolarHBondContact O-CG1 3.37Å; C396-I400 PolarHBondContact O-N 3.36Å; I400-M403 PolarHBondContact O-N 2.89Å; I400-R404 WeakPolarHBondContact O-CB 3.33Å; I400-R404 PolarHBondContact O-N 3.15Å; I400-L634 HydrophobicContact CD1-CD1 3.88Å; I400-L641 HydrophobicContact CB-CD1 4.36Å; I400-L641 HydrophobicContact CG1-CD1 3.89Å; I400-L641 HydrophobicContact CG2-CD1 4.28Å; I400-L657 HydrophobicContact CD1-CD1 4.09Å; I400-L657 HydrophobicContact CD1-CD2 3.76Å; I400-L657 HydrophobicContact CD1-CG 3.76Å; I400-L657 HydrophobicContact CG1-CD2 4.02Å; I400-L657 HydrophobicContact CG1-CG 4.23Å; I400-L657 HydrophobicContact CG2-CG 4.42Å; I400-L658 HydrophobicContact CG2-CD2 3.79Å |
| 401 | E | 89.9 | Confident | 86.9 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 9% | 0.089 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.1 | -40.9 | 178.1 | 178.1 | 77.5 | -177.1 | 0 | 0 | 112.2 | C367 Y369 R397 F399 M403 R404 R405 R663 | C367-E401 HydrophobicContact CB-CB 4.49Å; C367-E401 HydrophobicContact CB-CG 3.7Å; C367-E401 PolarHBondContact SG-OE1 3.12Å; C367-E401 PolarHBondContact SG-OE2 2.69Å; Y369-E401 HydrophobicContact CE2-CB 4.03Å; R397-E401 PolarHBondContact O-N 3.39Å; R397-E401 VanDerWaalsContact O-N 3.07Å; F399-E401 PolarHBondContact O-N 2.81Å; E401-M403 VanDerWaalsContact C-N 3.31Å; E401-M403 PolarHBondContact O-N 3.16Å; E401-R404 WeakPolarHBondContact O-CB 3.38Å; E401-R404 PolarHBondContact O-N 3.04Å; E401-R405 HydrophobicContact CG-CG 4.41Å; E401-R405 WeakPolarHBondContact O-CG 3.44Å; E401-R405 PolarHBondContact O-N 3.19Å; E401-R405 IonicContact OE1-CZ 3.89Å; E401-R405 IonicContact OE1-NE 3.52Å; E401-R405 PolarHBondContact OE1-NE 3.07Å; E401-R405 IonicContact OE1-NH2 3.86Å; E401-R405 PolarHBondContact OE1-NH2 2.56Å; E401-R663 VanDerWaalsContact CD-NH2 3.3Å; E401-R663 IonicContact OE1-NH2 3.7Å; E401-R663 PolarHBondContact OE1-NH2 3.16Å; E401-R663 VanDerWaalsContact OE1-NH2 3.11Å; E401-R663 IonicContact OE2-CZ 2.91Å; E401-R663 IonicContact OE2-NE 3.62Å; E401-R663 IonicContact OE2-NH2 3.11Å; E401-R663 PolarHBondContact OE2-NH2 3.37Å |
| 402 | M | 88.1 | Confident | 85.3 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 176 | -179.4 | -179.6 | 63.3 | 0 | 0 | 111 | Q398 F399 R405 H406 H606 F609 | Q398-M402 WeakPolarHBondContact O-CB 3.46Å; Q398-M402 PolarHBondContact O-N 3.06Å; F399-M402 HydrophobicContact CD2-CE 3.39Å; F399-M402 HydrophobicContact CE2-CE 3.63Å; F399-M402 HydrophobicContact CG-CE 4.45Å; F399-M402 PolarHBondContact O-N 3.03Å; M402-R405 PolarHBondContact O-N 3.44Å; M402-H406 PolarHBondContact O-N 3.36Å; M402-H606 HydrophobicContact CE-CB 4.14Å; M402-H606 VanDerWaalsContact SD-CD2 3.59Å; M402-F609 HydrophobicContact CE-CB 3.91Å; M402-F609 HydrophobicContact CE-CD1 4.45Å; M402-F609 HydrophobicContact CE-CG 4.1Å |
| 403 | M | 84.9 | Confident | 83.4 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 6% | 0.064 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 172.9 | -73.9 | -156.2 | 61.3 | 0 | 0 | 113 | F399 I400 E401 R405 H406 A407 L641 L642 P647 | F399-M403 HydrophobicContact CD1-SD 4.34Å; F399-M403 HydrophobicContact CE1-CG 4.32Å; F399-M403 HydrophobicContact CE1-SD 3.73Å; F399-M403 HydrophobicContact CZ-CG 4.44Å; F399-M403 HydrophobicContact CZ-SD 4.1Å; F399-M403 WeakPolarHBondContact O-CG 3.46Å; F399-M403 PolarHBondContact O-N 2.96Å; I400-M403 PolarHBondContact O-N 2.89Å; E401-M403 VanDerWaalsContact C-N 3.31Å; E401-M403 PolarHBondContact O-N 3.16Å; M403-R405 PolarHBondContact O-N 3.22Å; M403-H406 PolarHBondContact O-N 3.39Å; M403-A407 WeakPolarHBondContact O-CB 3.23Å; M403-A407 PolarHBondContact O-N 2.84Å; M403-L641 VanDerWaalsContact CE-C 3.49Å; M403-L641 HydrophobicContact CE-CB 3.82Å; M403-L641 WeakPolarHBondContact CE-O 3.22Å; M403-L641 HydrophobicContact SD-CB 3.57Å; M403-L641 VanDerWaalsContact SD-CB 3.57Å; M403-L642 HydrophobicContact CE-CD2 4.1Å; M403-L642 HydrophobicContact SD-CD2 3.85Å; M403-L642 HydrophobicContact SD-CG 4.11Å; M403-P647 HydrophobicContact CE-CG 4.31Å |
| 404 | R | 86.1 | Confident | 81.3 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.3 | -47.8 | 175.5 | 179.5 | -178.6 | 168.4 | 170.2 | -8 | 111.5 | I400 E401 A407 V408 L658 | I400-R404 WeakPolarHBondContact O-CB 3.33Å; I400-R404 PolarHBondContact O-N 3.15Å; E401-R404 WeakPolarHBondContact O-CB 3.38Å; E401-R404 PolarHBondContact O-N 3.04Å; R404-A407 PolarHBondContact O-N 2.94Å; R404-V408 WeakPolarHBondContact O-CG2 3.03Å; R404-V408 PolarHBondContact O-N 2.85Å; R404-L658 HydrophobicContact CB-CD2 4.4Å; R404-L658 PolarHBondContact NH1-O 3.24Å |
| 405 | R | 84.2 | Confident | 78.9 | Confident | 109 Ų | 109 | 57 Ų | 57 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 179.1 | -70.4 | 175.3 | -176 | -155.6 | -1.5 | 111.6 | E401 M402 M403 V408 R409 | E401-R405 HydrophobicContact CG-CG 4.41Å; E401-R405 WeakPolarHBondContact O-CG 3.44Å; E401-R405 PolarHBondContact O-N 3.19Å; E401-R405 IonicContact OE1-CZ 3.89Å; E401-R405 IonicContact OE1-NE 3.52Å; E401-R405 PolarHBondContact OE1-NE 3.07Å; E401-R405 IonicContact OE1-NH2 3.86Å; E401-R405 PolarHBondContact OE1-NH2 2.56Å; M402-R405 PolarHBondContact O-N 3.44Å; M403-R405 PolarHBondContact O-N 3.22Å; R405-V408 PolarHBondContact O-N 2.96Å; R405-R409 WeakPolarHBondContact O-CG 3.37Å; R405-R409 PolarHBondContact O-N 2.75Å |
| 406 | H | 83 | Confident | 76.5 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 176.1 | -177.1 | -114.3 | 0 | 0 | 0 | 112.7 | M402 M403 V408 R409 R410 C602 H606 | M402-H406 PolarHBondContact O-N 3.36Å; M403-H406 PolarHBondContact O-N 3.39Å; H406-V408 VanDerWaalsContact C-N 3.33Å; H406-V408 PolarHBondContact O-N 3.15Å; H406-R409 PolarHBondContact O-N 3.42Å; H406-R410 PolarHBondContact O-N 2.84Å; H406-C602 PolarHBondContact CD2-SG 3.37Å; H406-H606 AromaticContact CG-CE1 3.53Å; H406-H606 AromaticContact ND1-CE1 3.67Å |
| 407 | A | 81 | Confident | 74 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M403 R404 G411 P647 T648 | M403-A407 WeakPolarHBondContact O-CB 3.23Å; M403-A407 PolarHBondContact O-N 2.84Å; R404-A407 PolarHBondContact O-N 2.94Å; A407-G411 PolarHBondContact O-N 3Å; A407-P647 HydrophobicContact CB-CG 3.83Å; A407-T648 HydrophobicContact CB-CG2 3.85Å |
| 408 | V | 79.8 | Confident | 71.2 | Confident | 79 Ų | 79 | 72 Ų | 72 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 173.9 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | R404 R405 H406 G411 R412 T648 | R404-V408 WeakPolarHBondContact O-CG2 3.03Å; R404-V408 PolarHBondContact O-N 2.85Å; R405-V408 PolarHBondContact O-N 2.96Å; H406-V408 VanDerWaalsContact C-N 3.33Å; H406-V408 PolarHBondContact O-N 3.15Å; V408-G411 PolarHBondContact O-N 3.02Å; V408-R412 PolarHBondContact O-N 3.48Å; V408-T648 HydrophobicContact CG2-CG2 4.39Å |
| 409 | R | 77.5 | Confident | 68.3 | Low | 114 Ų | 114 | 74 Ų | 74 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -50.4 | 175.5 | -67.5 | -161.9 | -142.6 | 107 | -9.3 | 112.4 | R405 H406 G411 R412 S413 | R405-R409 WeakPolarHBondContact O-CG 3.37Å; R405-R409 PolarHBondContact O-N 2.75Å; H406-R409 PolarHBondContact O-N 3.42Å; R409-G411 PolarHBondContact O-N 3.08Å; R409-R412 PolarHBondContact O-N 3.25Å; R409-S413 PolarHBondContact O-N 2.99Å |
| 410 | R | 73 | Confident | 65.5 | Low | 71 Ų | 71 | 78.8 Ų | 78.8 | 27% | 0.268 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -50.6 | -42 | 173.3 | -82.4 | -173.6 | 175.1 | 165.3 | -5.4 | 111.9 | H406 R412 S413 H414 E599 P645 | H406-R410 PolarHBondContact O-N 2.84Å; R410-R412 PolarHBondContact O-N 3.31Å; R410-S413 PolarHBondContact O-N 3.24Å; R410-H414 PolarHBondContact O-CD2 2.88Å; R410-H414 VanDerWaalsContact O-CD2 3.29Å; R410-E599 IonicContact CZ-OE1 3.84Å; R410-E599 IonicContact NE-OE1 3.39Å; R410-E599 PolarHBondContact NE-OE1 2.88Å; R410-E599 IonicContact NH2-OE1 2.91Å; R410-E599 PolarHBondContact NH2-OE1 2.97Å; R410-P645 PolarHBondContact NH1-O 3.13Å |
| 411 | G | 64 | Low | 62.8 | Low | 49 Ų | 49 | 84.9 Ų | 84.9 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.1 | -21.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A407 V408 R409 | A407-G411 PolarHBondContact O-N 3Å; V408-G411 PolarHBondContact O-N 3.02Å; R409-G411 PolarHBondContact O-N 3.08Å |
| 412 | R | 59.7 | Low | 60.4 | Low | 193 Ų | 193 | 91.2 Ų | 91.2 | 73% | 0.728 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -82.2 | -51.8 | 171 | -80.2 | -178.1 | 166.9 | 170.8 | -3.3 | 111.6 | V408 R409 R410 H414 T415 | V408-R412 PolarHBondContact O-N 3.48Å; R409-R412 PolarHBondContact O-N 3.25Å; R410-R412 PolarHBondContact O-N 3.31Å; R412-H414 VanDerWaalsContact C-N 3.27Å; R412-H414 PolarHBondContact O-N 2.86Å; R412-H414 VanDerWaalsContact O-N 3.14Å; R412-T415 PolarHBondContact O-N 3.14Å; R412-T415 PolarHBondContact O-OG1 2.91Å |
| 413 | S | 53.5 | Low | 57.7 | Low | 50 Ų | 50 | 96.9 Ų | 96.9 | 35% | 0.35 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56.2 | -34.9 | -171.5 | -55.3 | 0 | 0 | 0 | 0 | 114.4 | R409 R410 T415 S416 | R409-S413 PolarHBondContact O-N 2.99Å; R410-S413 PolarHBondContact O-N 3.24Å; S413-T415 PolarHBondContact O-N 3.21Å; S413-S416 PolarHBondContact O-OG 3.21Å |
| 414 | H | 49.2 | Very low | 55.3 | Low | 156 Ų | 156 | 104.2 Ų | 104.2 | 72% | 0.722 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -3.6 | 179.4 | -62.8 | -50.3 | 0 | 0 | 0 | 115.3 | R410 R412 | R410-H414 PolarHBondContact O-CD2 2.88Å; R410-H414 VanDerWaalsContact O-CD2 3.29Å; R412-H414 VanDerWaalsContact C-N 3.27Å; R412-H414 PolarHBondContact O-N 2.86Å; R412-H414 VanDerWaalsContact O-N 3.14Å |
| 415 | T | 45.5 | Very low | 52.7 | Low | 109 Ų | 109 | 106.1 Ų | 106.1 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -6.2 | -175.9 | 62.7 | 0 | 0 | 0 | 0 | 114.9 | R412 S413 | R412-T415 PolarHBondContact O-N 3.14Å; R412-T415 PolarHBondContact O-OG1 2.91Å; S413-T415 PolarHBondContact O-N 3.21Å |
| 416 | S | 42.3 | Very low | 50.2 | Low | 96 Ų | 96 | 108.4 Ų | 108.4 | 67% | 0.671 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -106.7 | 10.7 | -167.1 | 51.8 | 0 | 0 | 0 | 0 | 115.8 | S413 | S413-S416 PolarHBondContact O-OG 3.21Š|
| 417 | N | 40 | Very low | 47.6 | Very low | 161 Ų | 161 | 112.8 Ų | 112.8 | 86% | 0.861 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -131.5 | 21.6 | -165.7 | -139.4 | 8.5 | 0 | 0 | 0 | 116 | ||
| 418 | S | 37.1 | Very low | 45.2 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 81% | 0.811 | 69% | 0.692 | S | S | * | * | trans | -132.2 | 107.7 | 172.1 | 60.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 419 | G | 31.8 | Very low | 42.9 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | trans | -152.7 | 91.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 420 | S | 33.4 | Very low | 40.4 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -155.4 | 157.7 | 142.8 | 73.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 421 | D | 35.6 | Very low | 38.3 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 72.4 | 109.2 | 156.3 | -53 | -47.7 | 0 | 0 | 0 | 121.2 | ||||
| 422 | L | 39.4 | Very low | 36.7 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 79.2 | 104.4 | 142.9 | -58.9 | 171.3 | 0 | 0 | 0 | 119.8 | ||||
| 423 | N | 31.8 | Very low | 35.1 | Very low | 156 Ų | 156 | 126 Ų | 126 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | 28.1 | 99.1 | 133.2 | -60.7 | -4.4 | 0 | 0 | 0 | 117.9 | ||||
| 424 | D | 34.1 | Very low | 33.9 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | -146.6 | 147 | 117.5 | -131.7 | -28.8 | 0 | 0 | 0 | 111.5 | |||||
| 425 | S | 31.4 | Very low | 32.9 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -100.2 | 98.3 | -165.8 | 60.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 426 | N | 30.7 | Very low | 31.9 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -166.8 | 148.4 | 147.7 | -102.8 | -44.1 | 0 | 0 | 0 | 114.7 | ||||
| 427 | S | 28.8 | Very low | 31.4 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 51.2 | 108.7 | 169.3 | 61.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 428 | T | 30.8 | Very low | 30.8 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | -146.1 | 117.8 | 145.5 | -38 | 0 | 0 | 0 | 0 | 109.9 | A430 | T428-A430 PolarHBondContact O-N 2.81Š| ||
| 429 | T | 30.6 | Very low | 30.4 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -81.1 | 104.5 | 177.8 | 46.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 430 | A | 26 | Very low | 30.3 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 144.6 | 144 | 0 | 0 | 0 | 0 | 0 | 108.3 | T428 P432 | T428-A430 PolarHBondContact O-N 2.81Å; A430-P432 WeakPolarHBondContact O-CD 3.39Å |
| 431 | P | 29.3 | Very low | 30.1 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 119.4 | 164.5 | 27.9 | -31.7 | 0 | 0 | 0 | 107.6 | ||
| 432 | P | 29.9 | Very low | 29.7 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 141.6 | 178.2 | 27.6 | -33.5 | 0 | 0 | 0 | 109.2 | A430 V434 | A430-P432 WeakPolarHBondContact O-CD 3.39Å; P432-V434 HydrophobicContact CG-CG2 4.39Å; P432-V434 WeakPolarHBondContact O-CG2 3.46Å; P432-V434 PolarHBondContact O-N 3.47Å |
| 433 | K | 26.6 | Very low | 29.3 | Very low | 207 Ų | 207 | 140.6 Ų | 140.6 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | trans | -62.2 | 102.9 | 161.4 | -70.1 | -176.4 | 176.5 | -176.2 | 0 | 106.6 | Q435 | K433-Q435 VanDerWaalsContact C-N 3.28Å; K433-Q435 PolarHBondContact O-N 3.05Å | ||
| 434 | V | 28.8 | Very low | 29 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | -71.1 | 87.3 | -173.6 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | P432 R436 | P432-V434 HydrophobicContact CG-CG2 4.39Å; P432-V434 WeakPolarHBondContact O-CG2 3.46Å; P432-V434 PolarHBondContact O-N 3.47Å; V434-R436 PolarHBondContact O-N 2.83Å | ||
| 435 | Q | 26.8 | Very low | 29 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -58.9 | 128.1 | 166.6 | -171 | 170.3 | -0.1 | 0 | 0 | 108.5 | K433 V437 | K433-Q435 VanDerWaalsContact C-N 3.28Å; K433-Q435 PolarHBondContact O-N 3.05Å; Q435-V437 PolarHBondContact O-N 3.44Å | ||
| 436 | R | 24.8 | Very low | 28.9 | Very low | 248 Ų | 248 | 133.3 Ų | 133.3 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -57 | 106.4 | -176.5 | -71.6 | 178.1 | 173.9 | 173.3 | -3.5 | 111.5 | V434 | V434-R436 PolarHBondContact O-N 2.83Š| ||
| 437 | V | 31.9 | Very low | 28.9 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -140.2 | 137.2 | 165.8 | -172 | 0 | 0 | 0 | 0 | 108.5 | Q435 | Q435-V437 PolarHBondContact O-N 3.44Š| ||
| 438 | S | 27.7 | Very low | 28.9 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -86.4 | 152.2 | -177.3 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 439 | G | 29.1 | Very low | 28.9 | Very low | 78 Ų | 78 | 131.4 Ų | 131.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 126 | 113 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 440 | S | 29.1 | Very low | 28.8 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | 15.3 | 130.3 | 150.4 | -164.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 441 | L | 29.8 | Very low | 28.9 | Very low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | -164 | 164 | 112.8 | -104.8 | 166.2 | 0 | 0 | 0 | 112.6 | |||||
| 442 | H | 27.2 | Very low | 29.1 | Very low | 167 Ų | 167 | 139 Ų | 139 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -80.3 | 153 | -175.9 | -64.2 | 1.6 | 0 | 0 | 0 | 113.7 | ||||
| 443 | V | 29.7 | Very low | 29 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -133.9 | 117.5 | 132.7 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 444 | G | 26.8 | Very low | 29.3 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | -106.1 | 145.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 445 | S | 32.6 | Very low | 29.4 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -92 | 130.2 | 167.7 | -166.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 446 | G | 30.4 | Very low | 29.4 | Very low | 72 Ų | 72 | 143.1 Ų | 143.1 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | -132.5 | 155.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 447 | C | 30.9 | Very low | 29.7 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 91% | 0.905 | 82% | 0.823 | S | S | * | * | trans | -112.6 | 150.7 | 166.8 | -157.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 448 | C | 28.5 | Very low | 29.5 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 76% | 0.764 | 82% | 0.823 | S | S | * | * | trans | -79.4 | 173.1 | -164.6 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 449 | V | 30 | Very low | 29.8 | Very low | 126 Ų | 126 | 140 Ų | 140 | 76% | 0.764 | 82% | 0.821 | S | S | * | * | -160.7 | 128.7 | 70.7 | 154.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 450 | T | 29.7 | Very low | 29.8 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | trans | 40.8 | 117.2 | 161.3 | 61.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 451 | N | 27.1 | Very low | 29.8 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -105.8 | 138.6 | 141.3 | -122.3 | -18.5 | 0 | 0 | 0 | 108 | ||||
| 452 | K | 33.2 | Very low | 29.9 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -94.2 | 134.1 | 167.8 | -85.9 | -171.5 | 175.6 | -179.4 | 0 | 109.7 | ||||
| 453 | Q | 27.9 | Very low | 29.9 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -73.4 | 146.2 | 175.8 | -60 | 162.4 | -53.2 | 0 | 0 | 110.4 | ||||
| 454 | D | 32.5 | Very low | 29.9 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 78% | 0.781 | 82% | 0.818 | S | S | * | * | -147.9 | 169.4 | 128 | -134.7 | -37 | 0 | 0 | 0 | 111.2 | |||||
| 455 | K | 31 | Very low | 29.8 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 78% | 0.778 | 82% | 0.822 | S | S | * | * | trans | -84.6 | 151 | -155.2 | -60.3 | 155.2 | -171.9 | 167.3 | 0 | 114.3 | ||||
| 456 | L | 27.3 | Very low | 29.5 | Very low | 175 Ų | 175 | 144 Ų | 144 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -119.1 | 134.7 | 150.4 | -126.3 | 85.5 | 0 | 0 | 0 | 109.5 | ||||
| 457 | S | 32 | Very low | 29.4 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -91.8 | 158.5 | 168.6 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 458 | Q | 28.1 | Very low | 29.2 | Very low | 173 Ų | 173 | 145.8 Ų | 145.8 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -63.8 | 150.7 | 173.9 | -59.4 | 157 | -81.9 | 0 | 0 | 111.3 | ||||
| 459 | D | 33.3 | Very low | 29.3 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | -157 | 176.3 | 114.1 | -129.4 | -39.5 | 0 | 0 | 0 | 113 | |||||
| 460 | N | 29.2 | Very low | 29.1 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | trans | -110.2 | 168.1 | -150.9 | -66.2 | -89.3 | 0 | 0 | 0 | 116.7 | ||||
| 461 | S | 29.5 | Very low | 29.1 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 75.9 | 125.3 | 155.2 | -156.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 462 | S | 31.1 | Very low | 29.1 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | -173.4 | 162.3 | 68.8 | 39.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 463 | S | 27.1 | Very low | 29.1 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -97.1 | 147.8 | -169.1 | -41.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 464 | V | 30.2 | Very low | 29.2 | Very low | 154 Ų | 154 | 140 Ų | 140 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | trans | -136.5 | 150.3 | 150.2 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 465 | Q | 25.1 | Very low | 29.1 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -129.7 | -175.6 | -162.9 | -158.2 | 176.8 | 6.6 | 0 | 0 | 111.3 | ||||
| 466 | M | 25.8 | Very low | 28.9 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 79.7 | 147 | 173.1 | -41 | -55.9 | -77.5 | 0 | 0 | 114.4 | ||||
| 467 | V | 28.3 | Very low | 29.1 | Very low | 122 Ų | 122 | 137 Ų | 137 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | cis | -128.5 | 150.2 | 10.7 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 468 | V | 26 | Very low | 28.8 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -115.6 | 140.6 | 164.2 | 172.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 469 | E | 30.3 | Very low | 29 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -141.9 | 139 | 163.3 | -158.9 | 162.5 | -130.9 | 0 | 0 | 110.4 | ||||
| 470 | N | 26.8 | Very low | 28.7 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -111.5 | 152.4 | -170.1 | -68.4 | -46.2 | 0 | 0 | 0 | 111.3 | ||||
| 471 | G | 30.1 | Very low | 29.1 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -156.9 | 98.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 472 | L | 27 | Very low | 29 | Very low | 156 Ų | 156 | 138 Ų | 138 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -146.7 | 122.8 | 179.4 | -148.1 | 178.8 | 0 | 0 | 0 | 109.7 | ||||
| 473 | P | 32.5 | Very low | 28.9 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -110.5 | 127.3 | 173.4 | 34.6 | -25.5 | 0 | 0 | 0 | 113 | ||||
| 474 | P | 29.7 | Very low | 28.9 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | trans | -109.5 | 147.7 | 178.7 | 38.2 | -31.5 | 0 | 0 | 0 | 114.6 | ||||
| 475 | L | 31 | Very low | 28.9 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -152.8 | 126.7 | 153.9 | -66.2 | 178.6 | 0 | 0 | 0 | 106.3 | ||||
| 476 | S | 25.7 | Very low | 28.9 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | cis | 83.3 | 101.8 | 34.7 | 83.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 477 | M | 31.4 | Very low | 29 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | 174.5 | 154.8 | 116.4 | -93 | 175.4 | -176.5 | 0 | 0 | 112.5 | |||||
| 478 | D | 27.3 | Very low | 29.1 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -82.9 | 165.9 | -165.7 | -41.6 | -96.5 | 0 | 0 | 0 | 114.7 | ||||
| 479 | V | 31.2 | Very low | 28.9 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | 178 | 144.6 | 112.3 | 152.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 480 | D | 27 | Very low | 28.9 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -107 | -165.2 | -170.9 | -145.6 | 9 | 0 | 0 | 0 | 111.3 | ||||
| 481 | P | 38.6 | Very low | 28.8 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | -125.1 | -162.9 | -117 | 41.8 | -23.7 | 0 | 0 | 0 | 115.8 | |||||
| 482 | E | 27.4 | Very low | 28.7 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 113.3 | 142.3 | 154.7 | -65.7 | -132.9 | 135 | 0 | 0 | 121.2 | ||||
| 483 | N | 29.1 | Very low | 28.8 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 65% | 0.647 | 77% | 0.767 | S | S | * | * | trans | 86.5 | 97 | 142.2 | -74.4 | -34.5 | 0 | 0 | 0 | 124.4 | ||||
| 484 | V | 26.7 | Very low | 28.6 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | 90.3 | 139.8 | 109.5 | 160.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 485 | L | 30.1 | Very low | 28.4 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 108.8 | 122.2 | 171.2 | -58.1 | 179.9 | 0 | 0 | 0 | 114.2 | ||||
| 486 | K | 25.7 | Very low | 28.3 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 81% | 0.809 | 77% | 0.772 | S | S | * | * | 68.4 | 133.4 | 54.1 | -75.4 | -178.9 | 172.4 | 174.3 | 0 | 112.1 | |||||
| 487 | V | 26.7 | Very low | 28.5 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | cis | -137.2 | -143.5 | 15.6 | -153.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 488 | P | 31 | Very low | 28.2 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | -129.6 | -174.5 | -128.6 | 47.3 | -28.4 | 0 | 0 | 0 | 118.9 | |||||
| 489 | F | 22.5 | Very low | 28.3 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | 50.4 | 126.2 | 144 | -107.3 | -97.9 | 0 | 0 | 0 | 121.3 | E491 | F489-E491 HydrophobicContact CD1-CB 4.45Å; F489-E491 HydrophobicContact CE1-CB 4.37Å | ||
| 490 | L | 29.8 | Very low | 28 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | trans | -149.5 | 119.6 | 140.9 | -123.9 | 171.8 | 0 | 0 | 0 | 111 | ||||
| 491 | E | 24.6 | Very low | 28.1 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | -104.9 | 134.2 | 177.2 | 173.3 | -172.4 | -166.6 | 0 | 0 | 108.8 | F489 | F489-E491 HydrophobicContact CD1-CB 4.45Å; F489-E491 HydrophobicContact CE1-CB 4.37Å | ||
| 492 | N | 28.4 | Very low | 27.5 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -176.5 | 146.7 | 153.1 | -108.7 | -62.6 | 0 | 0 | 0 | 114.6 | ||||
| 493 | A | 27.9 | Very low | 27.7 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | 60.4 | 141.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 494 | V | 29.8 | Very low | 27.6 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | cis | -124.3 | 138.5 | 22.7 | 175.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 495 | K | 24.6 | Very low | 27.9 | Very low | 211 Ų | 211 | 148.2 Ų | 148.2 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -116.9 | 119.4 | 162.5 | -82.8 | -179.7 | 176.1 | 171.7 | 0 | 109.7 | ||||
| 496 | A | 29.6 | Very low | 28 | Very low | 85 Ų | 85 | 147.1 Ų | 147.1 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -163.2 | 124.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 497 | V | 29.3 | Very low | 28.3 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | 49.8 | 125.1 | 158.7 | -168.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 498 | G | 25.7 | Very low | 28.5 | Very low | 66 Ų | 66 | 143.4 Ų | 143.4 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | cis | 123.8 | 70.9 | -5.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 499 | Q | 29.6 | Very low | 28.8 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | trans | -153.7 | 146.3 | 154.7 | -109.6 | 170.6 | 22.2 | 0 | 0 | 110.3 | ||||
| 500 | K | 23.9 | Very low | 29.5 | Very low | 211 Ų | 211 | 135.3 Ų | 135.3 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | trans | -103.9 | 134 | -176.1 | -84 | -172 | 170.6 | -170.8 | 0 | 111.8 | ||||
| 501 | S | 28.8 | Very low | 29.8 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -157.6 | 92.7 | 157.4 | 59 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 502 | K | 27.4 | Very low | 30.6 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 56 | 71.4 | 141.5 | -160.6 | -173.5 | -178.9 | -172.1 | 0 | 117.8 | ||
| 503 | V | 29.9 | Very low | 31.3 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 67% | 0.673 | 69% | 0.688 | S | S | * | * | trans | -130.1 | -3.9 | 166.6 | -169 | 0 | 0 | 0 | 0 | 112.6 | Q505 | V503-Q505 VanDerWaalsContact C-N 3.25Å; V503-Q505 PolarHBondContact O-N 3.48Å | ||
| 504 | D | 27.6 | Very low | 31.9 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 49.3 | -167.1 | -46.8 | -67.1 | 0 | 0 | 0 | 114.9 | ||
| 505 | Q | 32.5 | Very low | 32.5 | Very low | 166 Ų | 166 | 123.2 Ų | 123.2 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.6 | -26 | -178.6 | -147.5 | 162.1 | 5.7 | 0 | 0 | 115.2 | V503 | V503-Q505 VanDerWaalsContact C-N 3.25Å; V503-Q505 PolarHBondContact O-N 3.48Å |
| 506 | D | 32.1 | Very low | 33.3 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 66% | 0.658 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -78.2 | -27.2 | 179 | -64.4 | -35.9 | 0 | 0 | 0 | 113.4 | N508 L509 | D506-N508 VanDerWaalsContact C-N 3.31Å; D506-N508 PolarHBondContact O-N 3Å; D506-L509 PolarHBondContact O-N 2.84Å |
| 507 | C | 32.1 | Very low | 34.2 | Very low | 103 Ų | 103 | 113.6 Ų | 113.6 | 70% | 0.696 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -27.1 | -172.4 | -62.8 | 0 | 0 | 0 | 0 | 114.6 | L509 | C507-L509 VanDerWaalsContact C-N 3.33Š|
| 508 | N | 31.6 | Very low | 34.7 | Very low | 136 Ų | 136 | 115.4 Ų | 115.4 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -9.3 | 179.6 | -71.8 | 5.8 | 0 | 0 | 0 | 113.1 | D506 T511 | D506-N508 VanDerWaalsContact C-N 3.31Å; D506-N508 PolarHBondContact O-N 3Å; N508-T511 PolarHBondContact O-OG1 3Å |
| 509 | L | 36.1 | Very low | 35.3 | Very low | 64 Ų | 64 | 117.8 Ų | 117.8 | 34% | 0.335 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.6 | -17.5 | -175.7 | -142.1 | 78.1 | 0 | 0 | 0 | 113.6 | F379 D506 C507 T511 E512 | F379-L509 HydrophobicContact CE1-CD2 4Å; D506-L509 PolarHBondContact O-N 2.84Å; C507-L509 VanDerWaalsContact C-N 3.33Å; L509-T511 VanDerWaalsContact C-N 3.31Å; L509-T511 PolarHBondContact O-N 3.33Å; L509-E512 PolarHBondContact O-N 2.87Å |
| 510 | L | 38.7 | Very low | 35.5 | Very low | 50 Ų | 50 | 110.8 Ų | 110.8 | 26% | 0.262 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.5 | -37.1 | 175.8 | -88.3 | 82.5 | 0 | 0 | 0 | 111.9 | L345 E512 L513 | L345-L510 HydrophobicContact CD2-CD2 4.21Å; L510-E512 PolarHBondContact O-N 3.3Å; L510-L513 WeakPolarHBondContact O-CB 3.33Å; L510-L513 PolarHBondContact O-N 3.02Å |
| 511 | T | 36.4 | Very low | 35.9 | Very low | 102 Ų | 102 | 108 Ų | 108 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.3 | -21.6 | 178.1 | 23.1 | 0 | 0 | 0 | 0 | 114.1 | N508 L509 L513 | N508-T511 PolarHBondContact O-OG1 3Å; L509-T511 VanDerWaalsContact C-N 3.31Å; L509-T511 PolarHBondContact O-N 3.33Å; T511-L513 VanDerWaalsContact C-N 3.31Å |
| 512 | E | 39.7 | Very low | 36.2 | Very low | 112 Ų | 112 | 109 Ų | 109 | 52% | 0.523 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -84.4 | 1.2 | 171.7 | -66.6 | -170.4 | 174.2 | 0 | 0 | 113.7 | R378 L509 L510 | R378-E512 IonicContact NH2-OE2 2.75Å; R378-E512 PolarHBondContact NH2-OE2 3.48Å; L509-E512 PolarHBondContact O-N 2.87Å; L510-E512 PolarHBondContact O-N 3.3Å |
| 513 | L | 44.5 | Very low | 36.5 | Very low | 12 Ų | 12 | 107 Ų | 107 | 6% | 0.063 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -113.9 | -24.2 | -172.6 | -63.2 | 176.8 | 0 | 0 | 0 | 114.5 | R359 L510 T511 | R359-L513 VanDerWaalsContact NH1-CD2 3.3Å; L510-L513 WeakPolarHBondContact O-CB 3.33Å; L510-L513 PolarHBondContact O-N 3.02Å; T511-L513 VanDerWaalsContact C-N 3.31Å |
| 514 | D | 40.6 | Very low | 36.8 | Very low | 75 Ų | 75 | 108.3 Ų | 108.3 | 40% | 0.401 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -86.9 | -39.1 | -175.7 | -68.9 | -39.6 | 0 | 0 | 0 | 112.6 | D516 L517 | D514-D516 PolarHBondContact O-N 3Å; D514-D516 VanDerWaalsContact O-N 3.11Å; D514-L517 PolarHBondContact O-N 3.29Å; D514-L517 VanDerWaalsContact O-N 3.11Å |
| 515 | D | 40.9 | Very low | 37.1 | Very low | 148 Ų | 148 | 110.8 Ų | 110.8 | 79% | 0.791 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -29.2 | 179.2 | -73.9 | -20.7 | 0 | 0 | 0 | 113.9 | L517 | D515-L517 VanDerWaalsContact C-N 3.32Å; D515-L517 PolarHBondContact O-N 2.85Å |
| 516 | D | 42.2 | Very low | 37.3 | Very low | 64 Ų | 64 | 111 Ų | 111 | 34% | 0.342 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.5 | 0 | -175.1 | -145.1 | 45.3 | 0 | 0 | 0 | 112.8 | R359 D514 | R359-D516 IonicContact CZ-OD2 2.68Å; R359-D516 IonicContact NE-OD2 3.43Å; R359-D516 PolarHBondContact NE-OD2 3.25Å; R359-D516 IonicContact NH2-OD2 3.27Å; R359-D516 PolarHBondContact NH2-OD2 3.33Å; D514-D516 PolarHBondContact O-N 3Å; D514-D516 VanDerWaalsContact O-N 3.11Å |
| 517 | L | 48.7 | Very low | 37.5 | Very low | 29 Ų | 29 | 112.4 Ų | 112.4 | 15% | 0.152 | 60% | 0.601 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -127.8 | -14.2 | -158.4 | -153.3 | 67.7 | 0 | 0 | 0 | 116.2 | D514 D515 | D514-L517 PolarHBondContact O-N 3.29Å; D514-L517 VanDerWaalsContact O-N 3.11Å; D515-L517 VanDerWaalsContact C-N 3.32Å; D515-L517 PolarHBondContact O-N 2.85Å |
| 518 | E | 40.3 | Very low | 37.8 | Very low | 186 Ų | 186 | 113.3 Ų | 113.3 | 87% | 0.869 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -95.5 | -11.2 | -177.7 | -60.9 | -145.8 | 133.3 | 0 | 0 | 115 | A520 | E518-A520 PolarHBondContact O-N 3.37Š|
| 519 | T | 38 | Very low | 38.1 | Very low | 116 Ų | 116 | 111.2 Ų | 111.2 | 71% | 0.712 | 59% | 0.588 | S | S | * | * | trans | -84.6 | 25 | 176.8 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | D521 | T519-D521 VanDerWaalsContact C-N 3.35Å; T519-D521 PolarHBondContact O-N 3.06Å | ||
| 520 | A | 33.4 | Very low | 38.3 | Very low | 58 Ų | 58 | 110.8 Ų | 110.8 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | trans | -90.8 | 27.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | E518 | E518-A520 PolarHBondContact O-N 3.37Š| ||
| 521 | D | 32.2 | Very low | 38.2 | Very low | 152 Ų | 152 | 114.4 Ų | 114.4 | 81% | 0.813 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -149.9 | 120.3 | 169.6 | -95 | -45.6 | 0 | 0 | 0 | 110.5 | T519 | T519-D521 VanDerWaalsContact C-N 3.35Å; T519-D521 PolarHBondContact O-N 3.06Å |
| 522 | V | 35.1 | Very low | 38.1 | Very low | 131 Ų | 131 | 112 Ų | 112 | 79% | 0.794 | 61% | 0.608 | S | S | * | * | trans | 62.6 | 101.9 | 174.9 | -155.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 523 | E | 34.9 | Very low | 37.7 | Very low | 155 Ų | 155 | 112.9 Ų | 112.9 | 72% | 0.724 | 62% | 0.621 | S | S | * | * | -170.9 | 168.1 | 114.8 | -96.8 | 170.1 | -174.7 | 0 | 0 | 109.2 | R328 | R328-E523 IonicContact NH1-OE1 3.96Š| |||
| 524 | D | 34.8 | Very low | 37.1 | Very low | 139 Ų | 139 | 119.2 Ų | 119.2 | 74% | 0.743 | 66% | 0.655 | S | S | * | * | trans | -52.3 | 151.6 | -147.5 | -59.1 | -79.9 | 0 | 0 | 0 | 120.9 | E526 | D524-E526 VanDerWaalsContact C-N 3.27Å; D524-E526 HydrophobicContact CB-CG 4.31Å; D524-E526 PolarHBondContact O-N 3.28Å | ||
| 525 | E | 33.4 | Very low | 36.9 | Very low | 205 Ų | 205 | 122.7 Ų | 122.7 | 96% | 0.958 | 67% | 0.674 | S | S | * | * | trans | -76.3 | 73.8 | 162.5 | -72.2 | -165.3 | 163.2 | 0 | 0 | 110.2 | ||||
| 526 | E | 36.7 | Very low | 36.6 | Very low | 170 Ų | 170 | 120.6 Ų | 120.6 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | trans | -86.1 | 149.2 | 162.1 | -66.6 | -163.7 | 156.4 | 0 | 0 | 110.7 | D524 D528 | D524-E526 VanDerWaalsContact C-N 3.27Å; D524-E526 HydrophobicContact CB-CG 4.31Å; D524-E526 PolarHBondContact O-N 3.28Å; E526-D528 VanDerWaalsContact C-N 3.35Å; E526-D528 PolarHBondContact O-N 2.81Å | ||
| 527 | D | 36.6 | Very low | 36.2 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -71.6 | 71.5 | -164.1 | -65 | -83.3 | 0 | 0 | 0 | 114.9 | D529 | D527-D529 VanDerWaalsContact C-N 3.28Å; D527-D529 PolarHBondContact O-N 2.9Å; D527-D529 VanDerWaalsContact O-N 3.14Å | ||
| 528 | D | 39.4 | Very low | 35.2 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 65% | 0.652 | 69% | 0.694 | S | S | * | * | trans | -75.3 | 82.8 | 152.5 | 177.1 | 39.2 | 0 | 0 | 0 | 109 | E526 G530 | E526-D528 VanDerWaalsContact C-N 3.35Å; E526-D528 PolarHBondContact O-N 2.81Å; D528-G530 PolarHBondContact O-N 3.42Å; D528-G530 WeakPolarHBondContact OD1-CA 3.3Å; D528-G530 PolarHBondContact OD1-N 3.03Å | ||
| 529 | D | 37.1 | Very low | 34.9 | Very low | 92 Ų | 92 | 119.3 Ų | 119.3 | 49% | 0.492 | 68% | 0.679 | S | S | . | * | trans | -71.1 | 78.8 | 158.3 | 71.1 | -57 | 0 | 0 | 0 | 109.1 | D527 F531 | D527-D529 VanDerWaalsContact C-N 3.28Å; D527-D529 PolarHBondContact O-N 2.9Å; D527-D529 VanDerWaalsContact O-N 3.14Å; D529-F531 CarbonylContact O-C 3.49Å; D529-F531 VanDerWaalsContact O-C 3.31Å; D529-F531 VanDerWaalsContact O-CA 3.29Å; D529-F531 WeakPolarHBondContact O-CA 3.29Å; D529-F531 PolarHBondContact O-N 3.45Å | ||
| 530 | G | 41.4 | Very low | 34.4 | Very low | 56 Ų | 56 | 117.9 Ų | 117.9 | 58% | 0.577 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -59.9 | 26.7 | -173 | 0 | 0 | 0 | 0 | 0 | 117.7 | D528 G532 | D528-G530 PolarHBondContact O-N 3.42Å; D528-G530 WeakPolarHBondContact OD1-CA 3.3Å; D528-G530 PolarHBondContact OD1-N 3.03Å; G530-G532 PolarHBondContact O-N 2.83Å |
| 531 | F | 36 | Very low | 34.4 | Very low | 125 Ų | 125 | 118.1 Ų | 118.1 | 55% | 0.548 | 67% | 0.666 | S | S | . | * | -63.3 | 62.8 | 129.2 | -117.8 | -85.6 | 0 | 0 | 0 | 110.7 | D529 V533 | D529-F531 CarbonylContact O-C 3.49Å; D529-F531 VanDerWaalsContact O-C 3.31Å; D529-F531 VanDerWaalsContact O-CA 3.29Å; D529-F531 WeakPolarHBondContact O-CA 3.29Å; D529-F531 PolarHBondContact O-N 3.45Å; F531-V533 PolarHBondContact O-N 2.86Å | |||
| 532 | G | 33.9 | Very low | 34.5 | Very low | 51 Ų | 51 | 118 Ų | 118 | 53% | 0.526 | 67% | 0.665 | S | S | . | * | trans | -51.2 | 134.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | G530 D534 | G530-G532 PolarHBondContact O-N 2.83Å; G532-D534 PolarHBondContact O-N 3.14Å | ||
| 533 | V | 31.5 | Very low | 34.4 | Very low | 132 Ų | 132 | 117.7 Ų | 117.7 | 80% | 0.8 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -61.5 | 134.8 | -175.8 | -166.2 | 0 | 0 | 0 | 0 | 108.6 | F531 | F531-V533 PolarHBondContact O-N 2.86Š|
| 534 | D | 31.3 | Very low | 34.2 | Very low | 144 Ų | 144 | 115 Ų | 115 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 84.4 | 141.8 | -178.7 | -50.5 | -40.6 | 0 | 0 | 0 | 118.6 | G532 D536 | G532-D534 PolarHBondContact O-N 3.14Å; D534-D536 PolarHBondContact O-N 2.75Å |
| 535 | D | 37 | Very low | 34 | Very low | 149 Ų | 149 | 113.6 Ų | 113.6 | 80% | 0.797 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 78.4 | -33.7 | 161.4 | -123 | 23.4 | 0 | 0 | 0 | 123.6 | T537 G538 | D535-T537 PolarHBondContact O-N 2.8Å; D535-G538 PolarHBondContact O-N 3.13Å |
| 536 | D | 34.1 | Very low | 33.9 | Very low | 103 Ų | 103 | 110 Ų | 110 | 55% | 0.551 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 12.2 | -166.4 | -153.7 | 34 | 0 | 0 | 0 | 117.2 | D534 | D534-D536 PolarHBondContact O-N 2.75Š|
| 537 | T | 35 | Very low | 33.6 | Very low | 117 Ų | 117 | 109.9 Ų | 109.9 | 72% | 0.718 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -8.1 | 162.6 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | D535 | D535-T537 PolarHBondContact O-N 2.8Š|
| 538 | G | 28.3 | Very low | 33.2 | Very low | 42 Ų | 42 | 108.6 Ų | 108.6 | 43% | 0.433 | 64% | 0.637 | S | S | . | * | trans | -115.5 | 44.4 | -162.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | D535 C540 | D535-G538 PolarHBondContact O-N 3.13Å; G538-C540 PolarHBondContact O-N 2.88Å | ||
| 539 | V | 32.3 | Very low | 32.7 | Very low | 93 Ų | 93 | 110.4 Ų | 110.4 | 56% | 0.564 | 65% | 0.646 | S | S | * | * | trans | -68.4 | 87.7 | 163 | -177 | 0 | 0 | 0 | 0 | 108.8 | I541 | V539-I541 HydrophobicContact CG1-CG1 4.31Å; V539-I541 PolarHBondContact O-N 2.78Å; V539-I541 VanDerWaalsContact O-N 3.15Å | ||
| 540 | C | 29 | Very low | 32.4 | Very low | 86 Ų | 86 | 112.3 Ų | 112.3 | 58% | 0.581 | 67% | 0.667 | S | S | * | * | trans | -70.2 | 106.3 | 176.8 | -66 | 0 | 0 | 0 | 0 | 109.8 | G538 D542 | G538-C540 PolarHBondContact O-N 2.88Å; C540-D542 PolarHBondContact O-N 3.23Å | ||
| 541 | I | 33.6 | Very low | 31.7 | Very low | 63 Ų | 63 | 119.3 Ų | 119.3 | 32% | 0.323 | 68% | 0.681 | S | S | . | * | G | 310 helix | trans | -75.8 | -5.5 | -172.6 | -76.6 | 168.2 | 0 | 0 | 0 | 112.6 | V539 T543 L544 | V539-I541 HydrophobicContact CG1-CG1 4.31Å; V539-I541 PolarHBondContact O-N 2.78Å; V539-I541 VanDerWaalsContact O-N 3.15Å; I541-T543 PolarHBondContact O-N 2.8Å; I541-T543 VanDerWaalsContact O-N 3.11Å; I541-L544 PolarHBondContact O-N 2.8Å; I541-L544 VanDerWaalsContact O-N 3.15Å |
| 542 | D | 32.8 | Very low | 31.5 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 81% | 0.807 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -63.5 | -15.3 | 178.1 | -53.9 | -59.9 | 0 | 0 | 0 | 114.3 | C540 | C540-D542 PolarHBondContact O-N 3.23Š|
| 543 | T | 34.1 | Very low | 31.2 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 76% | 0.761 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -87.2 | -1.2 | 177.6 | -32.2 | 0 | 0 | 0 | 0 | 113.6 | I541 | I541-T543 PolarHBondContact O-N 2.8Å; I541-T543 VanDerWaalsContact O-N 3.11Å |
| 544 | L | 30.7 | Very low | 31.1 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 51% | 0.513 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -117.3 | 28.5 | -168.5 | -65.6 | 175 | 0 | 0 | 0 | 114.7 | I541 | I541-L544 PolarHBondContact O-N 2.8Å; I541-L544 VanDerWaalsContact O-N 3.15Å |
| 545 | L | 30.9 | Very low | 31 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 58% | 0.576 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -132.8 | 125.4 | 167.7 | -71.4 | 174.1 | 0 | 0 | 0 | 110.5 | H547 | L545-H547 VanDerWaalsContact C-N 3.33Å; L545-H547 PolarHBondContact O-N 3.18Å |
| 546 | P | 30.2 | Very low | 30.6 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 70% | 0.702 | S | S | * | * | trans | -77.6 | 79.1 | -177.4 | 31.8 | -35.4 | 0 | 0 | 0 | 111.7 | ||||
| 547 | H | 30 | Very low | 30.3 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 78% | 0.778 | 72% | 0.718 | S | S | * | * | trans | -67.6 | 133.9 | 169.4 | -78.3 | -70.2 | 0 | 0 | 0 | 111.3 | L545 | L545-H547 VanDerWaalsContact C-N 3.33Å; L545-H547 PolarHBondContact O-N 3.18Å | ||
| 548 | T | 29.7 | Very low | 30.1 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -74.7 | 130.5 | -168.7 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 549 | N | 27.2 | Very low | 30 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | 47.2 | 95.7 | 152.9 | -68.2 | -24.1 | 0 | 0 | 0 | 118.6 | ||||
| 550 | S | 32.2 | Very low | 29.9 | Very low | 132 Ų | 132 | 133 Ų | 133 | 92% | 0.923 | 75% | 0.748 | S | S | * | * | -159.1 | 173.3 | 117.6 | 62.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 551 | K | 26.5 | Very low | 30 | Very low | 203 Ų | 203 | 137.1 Ų | 137.1 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -145.2 | 103.4 | -155.2 | 172.9 | -165.7 | 171.7 | -174.3 | 0 | 111.8 | ||||
| 552 | V | 31.5 | Very low | 30 | Very low | 148 Ų | 148 | 140 Ų | 140 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -136.7 | 146.9 | 166.1 | -173 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 553 | K | 26.6 | Very low | 29.9 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -105.8 | 176.9 | 179.4 | -79 | -172.9 | 172.3 | -172.3 | 0 | 110.8 | ||||
| 554 | L | 31.3 | Very low | 30 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 101.9 | 142.1 | 162.5 | -56.1 | 158.1 | 0 | 0 | 0 | 113.4 | ||||
| 555 | S | 27.3 | Very low | 30.3 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 61% | 0.608 | 81% | 0.806 | S | S | * | * | cis | 168.4 | 137.5 | -43.8 | 46.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 556 | S | 29.5 | Very low | 30.6 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | trans | 57.6 | 120.9 | 159.8 | 60.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 557 | N | 27.5 | Very low | 31 | Very low | 167 Ų | 167 | 141 Ų | 141 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | 63.7 | 121.1 | 138 | -55.4 | 7.7 | 0 | 0 | 0 | 119.8 | ||||
| 558 | G | 30.4 | Very low | 31.4 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | 179.1 | 116.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 559 | S | 27.5 | Very low | 31.8 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 66% | 0.657 | 82% | 0.821 | S | S | * | * | trans | -88.3 | -179.1 | 169.7 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 560 | Y | 29.3 | Very low | 32 | Very low | 218 Ų | 218 | 137.1 Ų | 137.1 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | 94.9 | 130.5 | 169.5 | -57.7 | -74.5 | 0 | 0 | 0 | 118.4 | ||||
| 561 | L | 30.6 | Very low | 32.2 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -72.5 | 153.2 | 166.3 | -68.6 | 158.5 | 0 | 0 | 0 | 111.3 | ||||
| 562 | P | 35 | Very low | 32.5 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -119.6 | 159.2 | 143.9 | 36 | -27.2 | 0 | 0 | 0 | 112.1 | ||||
| 563 | S | 30.9 | Very low | 32.6 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 92% | 0.923 | 81% | 0.81 | S | S | * | * | trans | -139 | 152.3 | 175.8 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 564 | G | 35.4 | Very low | 33 | Very low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | trans | 121.1 | 150.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 565 | M | 37.9 | Very low | 33.1 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | cis | -157.4 | -159.2 | -6.6 | -134 | 160.9 | -175.8 | 0 | 0 | 110.1 | ||||
| 566 | D | 37.1 | Very low | 33.5 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | 71 | 106.6 | 178.8 | -47.1 | -22.3 | 0 | 0 | 0 | 114.7 | ||||
| 567 | A | 38.3 | Very low | 33.9 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | cis | 93.3 | 108.1 | 16.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 568 | D | 37.6 | Very low | 34.4 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -160.2 | 170.1 | 135.2 | -136 | -32.5 | 0 | 0 | 0 | 113.7 | ||||
| 569 | N | 38 | Very low | 34.6 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -69.1 | 169.6 | -168.8 | -69.2 | -82.4 | 0 | 0 | 0 | 116.5 | ||||
| 570 | G | 32.6 | Very low | 35 | Very low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | cis | 152.4 | 145.8 | -8.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 571 | M | 34.7 | Very low | 35.1 | Very low | 196 Ų | 196 | 131 Ų | 131 | 97% | 0.966 | 81% | 0.809 | S | S | * | * | trans | 70.5 | 147.7 | 164.9 | -67.5 | -64.4 | 175.9 | 0 | 0 | 122.3 | ||||
| 572 | S | 33 | Very low | 35.5 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -148.6 | 161.6 | 166 | 65.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 573 | F | 34.2 | Very low | 35.3 | Very low | 205 Ų | 205 | 131.3 Ų | 131.3 | 90% | 0.899 | 81% | 0.81 | S | S | * | * | trans | -149.5 | 125.1 | -176.7 | -151.9 | -96.5 | 0 | 0 | 0 | 115.6 | ||||
| 574 | A | 34.8 | Very low | 35.8 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | 36.9 | 133.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 575 | G | 34.5 | Very low | 35.6 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -170.7 | 112.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 576 | S | 35.6 | Very low | 35.4 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -46.6 | 158.6 | 174.5 | -42.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 577 | T | 36.2 | Very low | 35.1 | Very low | 137 Ų | 137 | 133 Ų | 133 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | cis | -166.4 | -178.7 | 18.6 | -11.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 578 | S | 38.1 | Very low | 34.6 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | cis | -150.7 | -111 | 4.1 | 55 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 579 | K | 35 | Very low | 34.3 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -174.9 | 170.7 | -171.1 | -112.5 | 179.7 | -174.6 | -174.4 | 0 | 109.2 | ||||
| 580 | P | 37 | Very low | 34.2 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | cis | -141 | -157.7 | 41.8 | 43.2 | -21.9 | 0 | 0 | 0 | 116.4 | ||||
| 581 | T | 31.7 | Very low | 34.4 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | trans | -123.5 | 152.5 | -155 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 582 | T | 37.3 | Very low | 34.8 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -155.8 | 142.3 | 147.3 | 8.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 583 | D | 31.8 | Very low | 35.2 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -91.7 | 140.8 | -177.8 | -49.7 | -85.7 | 0 | 0 | 0 | 113.2 | ||||
| 584 | V | 40.4 | Very low | 35.6 | Very low | 139 Ų | 139 | 127 Ų | 127 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | -144 | 129.6 | 152.1 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 585 | S | 32.4 | Very low | 36.7 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -89.8 | 130.2 | 176.2 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 586 | F | 33.3 | Very low | 38 | Very low | 200 Ų | 200 | 128.6 Ų | 128.6 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | trans | -145.9 | 161.3 | 159.6 | -108.6 | -81.6 | 0 | 0 | 0 | 111.2 | ||||
| 587 | T | 30.2 | Very low | 39.8 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | -113.3 | 163.2 | -163.5 | 47.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 588 | S | 29.5 | Very low | 41.7 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | 80.9 | 151.4 | 161.8 | 77.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 589 | S | 30.3 | Very low | 43.5 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | trans | 99.4 | 90.6 | 171 | -48.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 590 | T | 35.7 | Very low | 45.5 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | trans | -140.8 | 12.2 | 174 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 591 | N | 37.6 | Very low | 47.6 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | trans | -89.3 | 4 | -173.4 | -73.1 | 9.9 | 0 | 0 | 0 | 114.7 | ||||
| 592 | S | 42.2 | Very low | 49.9 | Very low | 84 Ų | 84 | 114.4 Ų | 114.4 | 59% | 0.587 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -99.1 | -12.4 | -170.7 | 52.2 | 0 | 0 | 0 | 0 | 115.6 | N596 | S592-N596 PolarHBondContact O-ND2 3.37Š|
| 593 | E | 41.3 | Very low | 52 | Low | 155 Ų | 155 | 110.7 Ų | 110.7 | 72% | 0.724 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -81.9 | -31.9 | -175.1 | -66.6 | -174.2 | 129.5 | 0 | 0 | 113.1 | ||
| 594 | L | 44 | Very low | 54.5 | Low | 133 Ų | 133 | 107.7 Ų | 107.7 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.4 | -39 | -174.1 | -64.7 | 172.8 | 0 | 0 | 0 | 113.9 | N596 D597 D598 | L594-N596 VanDerWaalsContact C-N 3.33Å; L594-N596 PolarHBondContact O-N 2.83Å; L594-D597 WeakPolarHBondContact O-CB 3.49Å; L594-D597 PolarHBondContact O-N 3.15Å; L594-D597 VanDerWaalsContact O-N 3.11Å; L594-D598 PolarHBondContact O-N 2.92Å |
| 595 | D | 55.9 | Low | 56.5 | Low | 101 Ų | 101 | 104.7 Ų | 104.7 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.6 | -37.6 | -175.4 | -138.7 | 5.8 | 0 | 0 | 0 | 111.5 | D597 E599 | D595-D597 VanDerWaalsContact C-N 3.26Å; D595-D597 PolarHBondContact O-N 3.48Å; D595-E599 PolarHBondContact O-N 2.8Å; D595-E599 VanDerWaalsContact O-N 3.16Å |
| 596 | N | 63.3 | Low | 59 | Low | 101 Ų | 101 | 99.9 Ų | 99.9 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -32.2 | 175.3 | -71.2 | -79.7 | 0 | 0 | 0 | 112.5 | S592 L594 M600 | S592-N596 PolarHBondContact O-ND2 3.37Å; L594-N596 VanDerWaalsContact C-N 3.33Å; L594-N596 PolarHBondContact O-N 2.83Å; N596-M600 WeakPolarHBondContact O-CB 3.36Å; N596-M600 PolarHBondContact O-N 3.24Å |
| 597 | D | 73.2 | Confident | 61.4 | Low | 84 Ų | 84 | 93.8 Ų | 93.8 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.3 | -39.7 | -174 | -134.1 | 31.9 | 0 | 0 | 0 | 110.8 | L594 D595 M600 R601 | L594-D597 WeakPolarHBondContact O-CB 3.49Å; L594-D597 PolarHBondContact O-N 3.15Å; L594-D597 VanDerWaalsContact O-N 3.11Å; D595-D597 VanDerWaalsContact C-N 3.26Å; D595-D597 PolarHBondContact O-N 3.48Å; D597-M600 PolarHBondContact O-N 3.07Å; D597-R601 WeakPolarHBondContact O-CD 3.44Å; D597-R601 WeakPolarHBondContact O-CG 3.19Å; D597-R601 PolarHBondContact O-N 3.22Å; D597-R601 IonicContact OD2-CZ 3.73Å; D597-R601 IonicContact OD2-NH2 3.12Å; D597-R601 PolarHBondContact OD2-NH2 3.38Å |
| 598 | D | 75.3 | Confident | 64.1 | Low | 86 Ų | 86 | 92.3 Ų | 92.3 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.5 | -32.9 | 173.1 | -83.4 | -51.9 | 0 | 0 | 0 | 113.7 | L594 R601 C602 | L594-D598 PolarHBondContact O-N 2.92Å; D598-R601 PolarHBondContact O-N 2.91Å; D598-R601 WeakPolarHBondContact OD1-CD 3.37Å; D598-R601 IonicContact OD1-CZ 3.44Å; D598-R601 IonicContact OD1-NH1 3.58Å; D598-R601 PolarHBondContact OD1-NH1 3.21Å; D598-R601 IonicContact OD2-NH1 2.72Å; D598-R601 PolarHBondContact OD2-NH1 3.1Å; D598-R601 VanDerWaalsContact OD2-NH1 3.12Å; D598-C602 WeakPolarHBondContact O-CB 3.44Å; D598-C602 PolarHBondContact O-N 2.73Å |
| 599 | E | 76.4 | Confident | 66.9 | Low | 64 Ų | 64 | 88.2 Ų | 88.2 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61 | -49.3 | 168.3 | 176.2 | 162.3 | -133.1 | 0 | 0 | 111.4 | R410 D595 R601 C602 L603 | R410-E599 IonicContact CZ-OE1 3.84Å; R410-E599 IonicContact NE-OE1 3.39Å; R410-E599 PolarHBondContact NE-OE1 2.88Å; R410-E599 IonicContact NH2-OE1 2.91Å; R410-E599 PolarHBondContact NH2-OE1 2.97Å; D595-E599 PolarHBondContact O-N 2.8Å; D595-E599 VanDerWaalsContact O-N 3.16Å; E599-R601 PolarHBondContact O-N 3.13Å; E599-C602 PolarHBondContact O-N 3.24Å; E599-C602 VanDerWaalsContact O-N 3.08Å; E599-L603 HydrophobicContact CG-CD1 4.08Å; E599-L603 HydrophobicContact CG-CG 4.48Å; E599-L603 WeakPolarHBondContact O-CG 3.14Å; E599-L603 PolarHBondContact O-N 3.34Å |
| 600 | M | 76.8 | Confident | 69.7 | Low | 125 Ų | 125 | 84 Ų | 84 | 62% | 0.616 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.8 | -44.3 | 176.2 | -179.3 | 62.3 | 75 | 0 | 0 | 111.7 | N596 D597 C602 L603 L604 | N596-M600 WeakPolarHBondContact O-CB 3.36Å; N596-M600 PolarHBondContact O-N 3.24Å; D597-M600 PolarHBondContact O-N 3.07Å; M600-C602 VanDerWaalsContact C-N 3.3Å; M600-C602 PolarHBondContact O-N 2.89Å; M600-L603 PolarHBondContact O-N 3.21Å; M600-L604 WeakPolarHBondContact O-CB 3.24Å; M600-L604 PolarHBondContact O-N 3.36Å |
| 601 | R | 81.6 | Confident | 72.1 | Confident | 104 Ų | 104 | 86.8 Ų | 86.8 | 39% | 0.392 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 173.9 | -70.2 | 164 | -156.2 | 149.8 | 2.3 | 111.8 | D597 D598 E599 R605 | D597-R601 WeakPolarHBondContact O-CD 3.44Å; D597-R601 WeakPolarHBondContact O-CG 3.19Å; D597-R601 PolarHBondContact O-N 3.22Å; D597-R601 IonicContact OD2-CZ 3.73Å; D597-R601 IonicContact OD2-NH2 3.12Å; D597-R601 PolarHBondContact OD2-NH2 3.38Å; D598-R601 PolarHBondContact O-N 2.91Å; D598-R601 WeakPolarHBondContact OD1-CD 3.37Å; D598-R601 IonicContact OD1-CZ 3.44Å; D598-R601 IonicContact OD1-NH1 3.58Å; D598-R601 PolarHBondContact OD1-NH1 3.21Å; D598-R601 IonicContact OD2-NH1 2.72Å; D598-R601 PolarHBondContact OD2-NH1 3.1Å; D598-R601 VanDerWaalsContact OD2-NH1 3.12Å; E599-R601 PolarHBondContact O-N 3.13Å; R601-R605 WeakPolarHBondContact O-CG 3.45Å; R601-R605 PolarHBondContact O-N 3.42Å; R601-R605 VanDerWaalsContact O-N 3.09Å |
| 602 | C | 80.6 | Confident | 74.7 | Confident | 8 Ų | 8 | 82.3 Ų | 82.3 | 5% | 0.054 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.4 | -43.1 | 179.1 | -148.8 | 0 | 0 | 0 | 0 | 112.8 | H406 D598 E599 M600 L604 R605 H606 | H406-C602 PolarHBondContact CD2-SG 3.37Å; D598-C602 WeakPolarHBondContact O-CB 3.44Å; D598-C602 PolarHBondContact O-N 2.73Å; E599-C602 PolarHBondContact O-N 3.24Å; E599-C602 VanDerWaalsContact O-N 3.08Å; M600-C602 VanDerWaalsContact C-N 3.3Å; M600-C602 PolarHBondContact O-N 2.89Å; C602-L604 VanDerWaalsContact C-N 3.32Å; C602-L604 PolarHBondContact O-N 3.45Å; C602-R605 WeakPolarHBondContact O-CB 3.35Å; C602-R605 PolarHBondContact O-N 3.09Å; C602-H606 PolarHBondContact O-CD2 3.3Å; C602-H606 PolarHBondContact O-N 3.3Å |
| 603 | L | 80.4 | Confident | 77 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 35% | 0.346 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 174.1 | -66.2 | 174.1 | 0 | 0 | 0 | 111.8 | E599 M600 H606 V607 | E599-L603 HydrophobicContact CG-CD1 4.08Å; E599-L603 HydrophobicContact CG-CG 4.48Å; E599-L603 WeakPolarHBondContact O-CG 3.14Å; E599-L603 PolarHBondContact O-N 3.34Å; M600-L603 PolarHBondContact O-N 3.21Å; L603-H606 WeakPolarHBondContact O-CB 3.24Å; L603-H606 PolarHBondContact O-N 3.09Å; L603-V607 WeakPolarHBondContact O-CG2 3.5Å; L603-V607 PolarHBondContact O-N 3.02Å |
| 604 | L | 83.4 | Confident | 79.3 | Confident | 95 Ų | 95 | 74.6 Ų | 74.6 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 175 | -174.7 | 62.9 | 0 | 0 | 0 | 112 | M600 C602 H606 V607 Q608 | M600-L604 WeakPolarHBondContact O-CB 3.24Å; M600-L604 PolarHBondContact O-N 3.36Å; C602-L604 VanDerWaalsContact C-N 3.32Å; C602-L604 PolarHBondContact O-N 3.45Å; L604-H606 VanDerWaalsContact C-N 3.31Å; L604-H606 PolarHBondContact O-N 2.85Å; L604-V607 PolarHBondContact O-N 2.95Å; L604-Q608 VanDerWaalsContact O-CG 3.32Å; L604-Q608 WeakPolarHBondContact O-CG 3.07Å; L604-Q608 PolarHBondContact O-N 3.15Å |
| 605 | R | 83.9 | Confident | 81.5 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 29% | 0.287 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.5 | -41 | 172.3 | -73.6 | -179.7 | -67.7 | -124.9 | -2.8 | 111.7 | R601 C602 Q608 F609 | R601-R605 WeakPolarHBondContact O-CG 3.45Å; R601-R605 PolarHBondContact O-N 3.42Å; R601-R605 VanDerWaalsContact O-N 3.09Å; C602-R605 WeakPolarHBondContact O-CB 3.35Å; C602-R605 PolarHBondContact O-N 3.09Å; R605-Q608 PolarHBondContact O-N 2.87Å; R605-F609 WeakPolarHBondContact O-CB 3.46Å; R605-F609 PolarHBondContact O-N 3.35Å |
| 606 | H | 84.1 | Confident | 83.2 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 3% | 0.032 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.6 | -62.2 | -176.3 | 0 | 0 | 0 | 112 | F399 M402 H406 C602 L603 L604 F609 G610 | F399-H606 HydrophobicContact CE2-CB 4.47Å; M402-H606 HydrophobicContact CE-CB 4.14Å; M402-H606 VanDerWaalsContact SD-CD2 3.59Å; H406-H606 AromaticContact CG-CE1 3.53Å; H406-H606 AromaticContact ND1-CE1 3.67Å; C602-H606 PolarHBondContact O-CD2 3.3Å; C602-H606 PolarHBondContact O-N 3.3Å; L603-H606 WeakPolarHBondContact O-CB 3.24Å; L603-H606 PolarHBondContact O-N 3.09Å; L604-H606 VanDerWaalsContact C-N 3.31Å; L604-H606 PolarHBondContact O-N 2.85Å; H606-F609 PolarHBondContact O-N 3.44Å; H606-G610 PolarHBondContact O-N 3.34Å |
| 607 | V | 83.6 | Confident | 84.6 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 44% | 0.436 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | L603 L604 G610 R611 | L603-V607 WeakPolarHBondContact O-CG2 3.5Å; L603-V607 PolarHBondContact O-N 3.02Å; L604-V607 PolarHBondContact O-N 2.95Å; V607-G610 PolarHBondContact O-N 2.88Å; V607-R611 WeakPolarHBondContact O-CG 3.36Å; V607-R611 PolarHBondContact O-N 3.48Å |
| 608 | Q | 86.5 | Confident | 85.4 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 43% | 0.425 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 174.4 | -73.1 | 171.1 | -9.5 | 0 | 0 | 111.4 | L604 R605 G610 R611 S612 | L604-Q608 VanDerWaalsContact O-CG 3.32Å; L604-Q608 WeakPolarHBondContact O-CG 3.07Å; L604-Q608 PolarHBondContact O-N 3.15Å; R605-Q608 PolarHBondContact O-N 2.87Å; Q608-G610 PolarHBondContact O-N 3.18Å; Q608-R611 PolarHBondContact O-N 3.24Å; Q608-S612 PolarHBondContact O-N 2.89Å; Q608-S612 VanDerWaalsContact O-N 3.08Å |
| 609 | F | 89.8 | Confident | 86.2 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 175.6 | -167.8 | -78.7 | 0 | 0 | 0 | 111.9 | R395 Q398 F399 M402 R605 H606 R611 S612 L613 | R395-F609 HydrophobicContact CB-CE1 4.42Å; R395-F609 HydrophobicContact CB-CZ 4.16Å; R395-F609 WeakPolarHBondContact O-CE1 3.35Å; Q398-F609 HydrophobicContact CB-CE2 4.35Å; Q398-F609 HydrophobicContact CB-CZ 3.82Å; Q398-F609 VanDerWaalsContact CD-CE2 3.49Å; Q398-F609 HydrophobicContact CG-CE2 3.93Å; Q398-F609 HydrophobicContact CG-CZ 3.92Å; F399-F609 HydrophobicContact CB-CD1 4.12Å; F399-F609 HydrophobicContact CB-CE1 3.85Å; F399-F609 HydrophobicContact CD2-CB 4.45Å; F399-F609 AromaticContact CD2-CD1 3.48Å; F399-F609 HydrophobicContact CD2-CD1 3.48Å; F399-F609 VanDerWaalsContact CD2-CD1 3.48Å; F399-F609 HydrophobicContact CD2-CE1 4.11Å; F399-F609 HydrophobicContact CD2-CG 4.23Å; F399-F609 HydrophobicContact CE2-CD1 4.33Å; F399-F609 HydrophobicContact CG-CD1 4.21Å; F399-F609 HydrophobicContact CG-CE1 4.42Å; M402-F609 HydrophobicContact CE-CB 3.91Å; M402-F609 HydrophobicContact CE-CD1 4.45Å; M402-F609 HydrophobicContact CE-CG 4.1Å; R605-F609 WeakPolarHBondContact O-CB 3.46Å; R605-F609 PolarHBondContact O-N 3.35Å; H606-F609 PolarHBondContact O-N 3.44Å; F609-R611 VanDerWaalsContact C-N 3.3Å; F609-R611 PolarHBondContact O-N 3.27Å; F609-S612 CarbonylContact O-C 3.53Å; F609-S612 WeakPolarHBondContact O-CA 3.44Å; F609-S612 WeakPolarHBondContact O-CB 3.33Å; F609-S612 PolarHBondContact O-N 3.02Å; F609-L613 HydrophobicContact CE1-CB 4.39Å; F609-L613 PolarHBondContact O-N 2.87Å |
| 610 | G | 87.8 | Confident | 86.8 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.8 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H606 V607 Q608 L613 V614 | H606-G610 PolarHBondContact O-N 3.34Å; V607-G610 PolarHBondContact O-N 2.88Å; Q608-G610 PolarHBondContact O-N 3.18Å; G610-L613 PolarHBondContact O-N 2.85Å; G610-V614 WeakPolarHBondContact O-CG2 3.41Å; G610-V614 PolarHBondContact O-N 3.39Å |
| 611 | R | 87.3 | Confident | 87.6 | Confident | 170 Ų | 170 | 62.8 Ų | 62.8 | 64% | 0.642 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 172.8 | -71.3 | 170.6 | 178.9 | 177.2 | 0.8 | 112.3 | V607 Q608 F609 V614 N615 | V607-R611 WeakPolarHBondContact O-CG 3.36Å; V607-R611 PolarHBondContact O-N 3.48Å; Q608-R611 PolarHBondContact O-N 3.24Å; F609-R611 VanDerWaalsContact C-N 3.3Å; F609-R611 PolarHBondContact O-N 3.27Å; R611-V614 PolarHBondContact O-N 3.11Å; R611-N615 PolarHBondContact O-N 3.11Å; R611-N615 VanDerWaalsContact O-N 3.08Å |
| 612 | S | 90.5 | Very high | 88 | Confident | 58 Ų | 58 | 62 Ų | 62 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 174.8 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | Q608 F609 N615 L616 | Q608-S612 PolarHBondContact O-N 2.89Å; Q608-S612 VanDerWaalsContact O-N 3.08Å; F609-S612 CarbonylContact O-C 3.53Å; F609-S612 WeakPolarHBondContact O-CA 3.44Å; F609-S612 WeakPolarHBondContact O-CB 3.33Å; F609-S612 PolarHBondContact O-N 3.02Å; S612-N615 PolarHBondContact O-N 3.43Å; S612-L616 PolarHBondContact O-N 3.18Å |
| 613 | L | 90.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.3 | 177.6 | 58 | 0 | 0 | 0 | 111.6 | V392 R395 F609 G610 N615 L616 V617 L635 | V392-L613 HydrophobicContact CG1-CD1 4.37Å; R395-L613 HydrophobicContact CB-CD1 3.86Å; F609-L613 HydrophobicContact CE1-CB 4.39Å; F609-L613 PolarHBondContact O-N 2.87Å; G610-L613 PolarHBondContact O-N 2.85Å; L613-N615 VanDerWaalsContact C-N 3.3Å; L613-N615 PolarHBondContact O-N 2.88Å; L613-L616 PolarHBondContact O-N 2.72Å; L613-V617 HydrophobicContact CD1-CG2 4.28Å; L613-V617 WeakPolarHBondContact O-CB 3.42Å; L613-V617 VanDerWaalsContact O-CG2 3.31Å; L613-V617 WeakPolarHBondContact O-CG2 3.32Å; L613-V617 PolarHBondContact O-N 3.38Å; L613-L635 HydrophobicContact CD1-CD1 4.34Å; L613-L635 HydrophobicContact CD2-CD1 3.93Å; L613-L635 HydrophobicContact CG-CD1 4.03Å |
| 614 | V | 89.6 | Confident | 88.5 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 174.9 | 166.8 | 0 | 0 | 0 | 0 | 112 | G610 R611 V617 K618 | G610-V614 WeakPolarHBondContact O-CG2 3.41Å; G610-V614 PolarHBondContact O-N 3.39Å; R611-V614 PolarHBondContact O-N 3.11Å; V614-V617 PolarHBondContact O-N 3.16Å; V614-K618 HydrophobicContact CG1-CD 4.44Å; V614-K618 WeakPolarHBondContact O-CG 3.39Å; V614-K618 PolarHBondContact O-N 3.14Å |
| 615 | N | 90.8 | Very high | 88.6 | Confident | 84 Ų | 84 | 67.5 Ų | 67.5 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.1 | -40.5 | 176.7 | -73.4 | -14.8 | 0 | 0 | 0 | 112.3 | R611 S612 L613 K618 Q619 | R611-N615 PolarHBondContact O-N 3.11Å; R611-N615 VanDerWaalsContact O-N 3.08Å; S612-N615 PolarHBondContact O-N 3.43Å; L613-N615 VanDerWaalsContact C-N 3.3Å; L613-N615 PolarHBondContact O-N 2.88Å; N615-K618 PolarHBondContact O-N 3.47Å; N615-Q619 WeakPolarHBondContact O-CG 3.34Å; N615-Q619 PolarHBondContact O-N 2.66Å; N615-Q619 VanDerWaalsContact O-N 3.08Å |
| 616 | L | 91.2 | Very high | 88.8 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 171.3 | 176.9 | 63.6 | 0 | 0 | 0 | 111.4 | L391 V392 R395 S612 L613 K618 Q619 V620 | L391-L616 HydrophobicContact CB-CD1 4.5Å; L391-L616 HydrophobicContact CB-CD2 4.23Å; V392-L616 HydrophobicContact CG2-CG 4.38Å; R395-L616 HydrophobicContact CB-CD2 4.19Å; R395-L616 HydrophobicContact CG-CD2 3.72Å; S612-L616 PolarHBondContact O-N 3.18Å; L613-L616 PolarHBondContact O-N 2.72Å; L616-K618 VanDerWaalsContact C-N 3.33Å; L616-K618 PolarHBondContact O-N 3.08Å; L616-Q619 PolarHBondContact O-N 2.75Å; L616-Q619 VanDerWaalsContact O-N 3.14Å; L616-V620 HydrophobicContact CD1-CG2 4Å; L616-V620 HydrophobicContact CG-CG2 4.35Å; L616-V620 WeakPolarHBondContact O-CG2 3.45Å; L616-V620 PolarHBondContact O-N 3.28Å |
| 617 | V | 92.5 | Very high | 89 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 6% | 0.055 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59 | -41.9 | 177.7 | 164.9 | 0 | 0 | 0 | 0 | 111.8 | V392 L613 V614 V620 R621 L627 L635 | V392-V617 HydrophobicContact CG1-CG2 3.73Å; V392-V617 HydrophobicContact CG2-CG2 4.4Å; L613-V617 HydrophobicContact CD1-CG2 4.28Å; L613-V617 WeakPolarHBondContact O-CB 3.42Å; L613-V617 VanDerWaalsContact O-CG2 3.31Å; L613-V617 WeakPolarHBondContact O-CG2 3.32Å; L613-V617 PolarHBondContact O-N 3.38Å; V614-V617 PolarHBondContact O-N 3.16Å; V617-V620 PolarHBondContact O-N 3.27Å; V617-R621 HydrophobicContact CG1-CG 4.46Å; V617-R621 WeakPolarHBondContact O-CB 3.41Å; V617-R621 WeakPolarHBondContact O-CG 3.32Å; V617-R621 PolarHBondContact O-N 3.22Å; V617-L627 HydrophobicContact CG1-CD1 4.25Å; V617-L635 HydrophobicContact CB-CD2 4.41Å; V617-L635 HydrophobicContact CG1-CD2 3.9Å; V617-L635 HydrophobicContact CG2-CD1 3.95Å; V617-L635 HydrophobicContact CG2-CD2 3.67Å; V617-L635 HydrophobicContact CG2-CG 4.47Å |
| 618 | K | 91 | Very high | 89.3 | Confident | 126 Ų | 126 | 65.1 Ų | 65.1 | 55% | 0.548 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 173.9 | -72.4 | 167.9 | -175.8 | 170.6 | 0 | 111.8 | V614 N615 L616 A622 | V614-K618 HydrophobicContact CG1-CD 4.44Å; V614-K618 WeakPolarHBondContact O-CG 3.39Å; V614-K618 PolarHBondContact O-N 3.14Å; N615-K618 PolarHBondContact O-N 3.47Å; L616-K618 VanDerWaalsContact C-N 3.33Å; L616-K618 PolarHBondContact O-N 3.08Å; K618-A622 VanDerWaalsContact O-CB 3.31Å; K618-A622 WeakPolarHBondContact O-CB 3.3Å; K618-A622 PolarHBondContact O-N 3.2Å |
| 619 | Q | 91.2 | Very high | 89.5 | Confident | 85 Ų | 85 | 67.8 Ų | 67.8 | 40% | 0.397 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 179.7 | -70.1 | 174.2 | 0.4 | 0 | 0 | 112.6 | N615 L616 A622 K623 | N615-Q619 WeakPolarHBondContact O-CG 3.34Å; N615-Q619 PolarHBondContact O-N 2.66Å; N615-Q619 VanDerWaalsContact O-N 3.08Å; L616-Q619 PolarHBondContact O-N 2.75Å; L616-Q619 VanDerWaalsContact O-N 3.14Å; Q619-A622 PolarHBondContact O-N 2.86Å; Q619-K623 WeakPolarHBondContact O-CG 3.42Å; Q619-K623 PolarHBondContact O-N 3.42Å |
| 620 | V | 90.9 | Very high | 89.5 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.03 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.8 | -52 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | P388 E389 V392 L616 V617 A622 K623 T624 L627 | P388-V620 HydrophobicContact CB-CG1 4.18Å; P388-V620 HydrophobicContact CB-CG2 4.29Å; P388-V620 HydrophobicContact CG-CG1 4.2Å; E389-V620 HydrophobicContact CG-CG1 4.13Å; V392-V620 HydrophobicContact CG2-CB 4.06Å; V392-V620 HydrophobicContact CG2-CG1 4.13Å; V392-V620 HydrophobicContact CG2-CG2 3.83Å; L616-V620 HydrophobicContact CD1-CG2 4Å; L616-V620 HydrophobicContact CG-CG2 4.35Å; L616-V620 WeakPolarHBondContact O-CG2 3.45Å; L616-V620 PolarHBondContact O-N 3.28Å; V617-V620 PolarHBondContact O-N 3.27Å; V620-A622 PolarHBondContact O-N 2.88Å; V620-A622 VanDerWaalsContact O-N 3.15Å; V620-K623 WeakPolarHBondContact O-CA 3.45Å; V620-K623 WeakPolarHBondContact O-CB 3.21Å; V620-K623 PolarHBondContact O-N 3.45Å; V620-T624 HydrophobicContact CG1-CG2 4.48Å; V620-T624 PolarHBondContact O-N 3.46Å; V620-T624 PolarHBondContact O-OG1 2.7Å; V620-L627 HydrophobicContact CG1-CD2 3.87Å |
| 621 | R | 92.3 | Very high | 89.7 | Confident | 110 Ų | 110 | 70.9 Ų | 70.9 | 42% | 0.415 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -54.9 | -34.2 | 174.9 | -76.8 | 179.3 | 172.3 | 175.2 | -1.1 | 112.8 | V617 K623 G625 L627 E632 | V617-R621 HydrophobicContact CG1-CG 4.46Å; V617-R621 WeakPolarHBondContact O-CB 3.41Å; V617-R621 WeakPolarHBondContact O-CG 3.32Å; V617-R621 PolarHBondContact O-N 3.22Å; R621-K623 VanDerWaalsContact C-N 3.32Å; R621-K623 PolarHBondContact O-N 3.34Å; R621-G625 CarbonylContact O-C 3.59Å; R621-G625 VanDerWaalsContact O-CA 3.25Å; R621-G625 WeakPolarHBondContact O-CA 3.46Å; R621-G625 PolarHBondContact O-N 3.12Å; R621-L627 HydrophobicContact CG-CD1 4.42Å; R621-L627 HydrophobicContact CG-CD2 4.18Å; R621-L627 HydrophobicContact CG-CG 3.84Å; R621-E632 IonicContact CZ-OE1 3.79Å; R621-E632 IonicContact NE-OE1 3.02Å; R621-E632 IonicContact NH2-OE1 3.36Å; R621-E632 PolarHBondContact NH2-OE1 2.86Å |
| 622 | A | 90 | Very high | 89.9 | Confident | 88 Ų | 88 | 66.3 Ų | 66.3 | 73% | 0.727 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70.9 | -22.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | K618 Q619 V620 | K618-A622 VanDerWaalsContact O-CB 3.31Å; K618-A622 WeakPolarHBondContact O-CB 3.3Å; K618-A622 PolarHBondContact O-N 3.2Å; Q619-A622 PolarHBondContact O-N 2.86Å; V620-A622 PolarHBondContact O-N 2.88Å; V620-A622 VanDerWaalsContact O-N 3.15Å |
| 623 | K | 86.7 | Confident | 90 | Very high | 145 Ų | 145 | 70.6 Ų | 70.6 | 63% | 0.63 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -90.5 | -36.2 | 175.1 | -71.8 | -178.9 | 176.9 | -173.1 | 0 | 113.1 | Q619 V620 R621 | Q619-K623 WeakPolarHBondContact O-CG 3.42Å; Q619-K623 PolarHBondContact O-N 3.42Å; V620-K623 WeakPolarHBondContact O-CA 3.45Å; V620-K623 WeakPolarHBondContact O-CB 3.21Å; V620-K623 PolarHBondContact O-N 3.45Å; R621-K623 VanDerWaalsContact C-N 3.32Å; R621-K623 PolarHBondContact O-N 3.34Å |
| 624 | T | 85.8 | Confident | 90.1 | Very high | 64 Ų | 64 | 70.9 Ų | 70.9 | 39% | 0.393 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -99.8 | -15.9 | -175.4 | 48 | 0 | 0 | 0 | 0 | 114.4 | P388 V620 G626 | P388-T624 HydrophobicContact CG-CG2 3.49Å; P388-T624 VanDerWaalsContact CG-CG2 3.49Å; V620-T624 HydrophobicContact CG1-CG2 4.48Å; V620-T624 PolarHBondContact O-N 3.46Å; V620-T624 PolarHBondContact O-OG1 2.7Å; T624-G626 PolarHBondContact O-N 3.24Å; T624-G626 PolarHBondContact OG1-O 2.69Å |
| 625 | G | 85.1 | Confident | 90.3 | Very high | 75 Ų | 75 | 68.5 Ų | 68.5 | 77% | 0.773 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 80.6 | -7.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R621 | R621-G625 CarbonylContact O-C 3.59Å; R621-G625 VanDerWaalsContact O-CA 3.25Å; R621-G625 WeakPolarHBondContact O-CA 3.46Å; R621-G625 PolarHBondContact O-N 3.12Å |
| 626 | G | 87.2 | Confident | 90.3 | Very high | 30 Ų | 30 | 70.9 Ų | 70.9 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -177.7 | -172.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | T624 | T624-G626 PolarHBondContact O-N 3.24Å; T624-G626 PolarHBondContact OG1-O 2.69Å |
| 627 | L | 89.1 | Confident | 90.3 | Very high | 25 Ų | 25 | 71.9 Ų | 71.9 | 13% | 0.131 | 38% | 0.38 | C | S | . | . | trans | -119.5 | 154 | 164.4 | -63.7 | 176 | 0 | 0 | 0 | 108.4 | E389 V617 V620 R621 T631 E632 L635 | E389-L627 HydrophobicContact CG-CD2 3.91Å; E389-L627 WeakPolarHBondContact OE1-CA 3.29Å; V617-L627 HydrophobicContact CG1-CD1 4.25Å; V620-L627 HydrophobicContact CG1-CD2 3.87Å; R621-L627 HydrophobicContact CG-CD1 4.42Å; R621-L627 HydrophobicContact CG-CD2 4.18Å; R621-L627 HydrophobicContact CG-CG 3.84Å; L627-T631 HydrophobicContact CD1-CG2 4.3Å; L627-T631 HydrophobicContact CD2-CG2 4.25Å; L627-E632 HydrophobicContact CB-CB 4.28Å; L627-L635 HydrophobicContact CD1-CD2 4.15Å | ||
| 628 | S | 90.2 | Very high | 90.2 | Very high | 50 Ų | 50 | 71.4 Ų | 71.4 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | trans | -62.4 | 150 | 164.2 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | E389 E630 T631 E632 | E389-S628 VanDerWaalsContact CD-N 3.3Å; E389-S628 PolarHBondContact OE1-N 3.13Å; E389-S628 WeakPolarHBondContact OE2-CB 3.22Å; E389-S628 PolarHBondContact OE2-N 2.82Å; E389-S628 PolarHBondContact OE2-OG 3.45Å; S628-E630 PolarHBondContact O-N 2.86Å; S628-T631 PolarHBondContact O-N 3.33Å; S628-T631 VanDerWaalsContact O-N 3.12Å; S628-T631 PolarHBondContact OG-N 3.39Å; S628-T631 PolarHBondContact OG-OG1 3.25Å; S628-T631 VanDerWaalsContact OG-OG1 3.11Å; S628-E632 WeakPolarHBondContact O-CB 3.39Å; S628-E632 PolarHBondContact O-N 2.94Å | ||
| 629 | L | 90 | Very high | 90 | Very high | 146 Ų | 146 | 68.6 Ų | 68.6 | 76% | 0.764 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -54.3 | -37.4 | -179 | -177.7 | 63.7 | 0 | 0 | 0 | 112.2 | R633 | L629-R633 WeakPolarHBondContact O-CB 3.44Å; L629-R633 PolarHBondContact O-N 2.53Å |
| 630 | E | 89.2 | Confident | 89.9 | Confident | 113 Ų | 113 | 66.9 Ų | 66.9 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.9 | -46.4 | 177.9 | -179 | 59.8 | -164.1 | 0 | 0 | 112.3 | S628 E632 R633 L634 | S628-E630 PolarHBondContact O-N 2.86Å; E630-E632 VanDerWaalsContact C-N 3.32Å; E630-E632 PolarHBondContact O-N 3.23Å; E630-R633 PolarHBondContact O-N 2.89Å; E630-L634 WeakPolarHBondContact O-CB 3.36Å; E630-L634 PolarHBondContact O-N 3.5Å |
| 631 | T | 91.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 175.8 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | E389 V392 Q393 L627 S628 L635 | E389-T631 HydrophobicContact CB-CG2 4.22Å; E389-T631 WeakPolarHBondContact OE2-CB 3.38Å; E389-T631 PolarHBondContact OE2-OG1 3.3Å; V392-T631 HydrophobicContact CB-CG2 3.9Å; V392-T631 HydrophobicContact CG1-CG2 3.81Å; Q393-T631 HydrophobicContact CG-CG2 4.09Å; Q393-T631 PolarHBondContact NE2-OG1 2.9Å; L627-T631 HydrophobicContact CD1-CG2 4.3Å; L627-T631 HydrophobicContact CD2-CG2 4.25Å; S628-T631 PolarHBondContact O-N 3.33Å; S628-T631 VanDerWaalsContact O-N 3.12Å; S628-T631 PolarHBondContact OG-N 3.39Å; S628-T631 PolarHBondContact OG-OG1 3.25Å; S628-T631 VanDerWaalsContact OG-OG1 3.11Å; T631-L635 VanDerWaalsContact O-CB 3.26Å; T631-L635 WeakPolarHBondContact O-CB 3.33Å; T631-L635 PolarHBondContact O-N 3.15Å |
| 632 | E | 92.2 | Very high | 89.1 | Confident | 74 Ų | 74 | 65.8 Ų | 65.8 | 35% | 0.346 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.3 | -43 | 177.5 | -173.5 | 142 | -90.8 | 0 | 0 | 112 | R621 L627 S628 E630 L635 Q636 | R621-E632 IonicContact CZ-OE1 3.79Å; R621-E632 IonicContact NE-OE1 3.02Å; R621-E632 IonicContact NH2-OE1 3.36Å; R621-E632 PolarHBondContact NH2-OE1 2.86Å; L627-E632 HydrophobicContact CB-CB 4.28Å; S628-E632 WeakPolarHBondContact O-CB 3.39Å; S628-E632 PolarHBondContact O-N 2.94Å; E630-E632 VanDerWaalsContact C-N 3.32Å; E630-E632 PolarHBondContact O-N 3.23Å; E632-L635 WeakPolarHBondContact O-CB 3.14Å; E632-L635 PolarHBondContact O-N 3Å; E632-Q636 WeakPolarHBondContact O-CB 3.38Å; E632-Q636 PolarHBondContact O-N 2.83Å |
| 633 | R | 92.5 | Very high | 88.7 | Confident | 147 Ų | 147 | 65.5 Ų | 65.5 | 56% | 0.555 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.9 | -50 | 173 | -178.3 | 177.1 | 179.1 | 166.4 | 2.3 | 111.6 | L629 E630 L635 Q636 E637 | L629-R633 WeakPolarHBondContact O-CB 3.44Å; L629-R633 PolarHBondContact O-N 2.53Å; E630-R633 PolarHBondContact O-N 2.89Å; R633-L635 VanDerWaalsContact C-N 3.28Å; R633-L635 PolarHBondContact O-N 3.18Å; R633-Q636 PolarHBondContact O-N 3.41Å; R633-Q636 VanDerWaalsContact O-N 3.16Å; R633-E637 HydrophobicContact CG-CG 4.33Å; R633-E637 IonicContact CZ-OE1 3.55Å; R633-E637 IonicContact NE-OE1 3.73Å; R633-E637 PolarHBondContact NE-OE1 2.92Å; R633-E637 IonicContact NH2-OE1 2.76Å; R633-E637 PolarHBondContact NH2-OE1 3.46Å; R633-E637 VanDerWaalsContact NH2-OE1 3.13Å; R633-E637 WeakPolarHBondContact O-CG 3.35Å; R633-E637 PolarHBondContact O-N 3.14Å |
| 634 | L | 92.8 | Very high | 88.5 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -39.3 | 176.6 | 176.4 | 61.6 | 0 | 0 | 0 | 111.8 | Q393 C396 I400 E630 S638 L657 | Q393-L634 HydrophobicContact CB-CD2 4.1Å; Q393-L634 HydrophobicContact CG-CD2 4.13Å; C396-L634 HydrophobicContact CB-CD2 4.22Å; C396-L634 HydrophobicContact CB-CG 4.01Å; I400-L634 HydrophobicContact CD1-CD1 3.88Å; E630-L634 WeakPolarHBondContact O-CB 3.36Å; E630-L634 PolarHBondContact O-N 3.5Å; L634-S638 WeakPolarHBondContact O-CB 3.07Å; L634-S638 PolarHBondContact O-N 3.48Å; L634-S638 PolarHBondContact O-OG 2.81Å; L634-S638 VanDerWaalsContact O-OG 3.06Å; L634-L657 HydrophobicContact CD1-CD1 3.91Å |
| 635 | L | 93.1 | Very high | 87.8 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.9 | -51 | 174 | 176.9 | 65.8 | 0 | 0 | 0 | 110.9 | L613 V617 L627 T631 E632 R633 S638 V639 | L613-L635 HydrophobicContact CD1-CD1 4.34Å; L613-L635 HydrophobicContact CD2-CD1 3.93Å; L613-L635 HydrophobicContact CG-CD1 4.03Å; V617-L635 HydrophobicContact CB-CD2 4.41Å; V617-L635 HydrophobicContact CG1-CD2 3.9Å; V617-L635 HydrophobicContact CG2-CD1 3.95Å; V617-L635 HydrophobicContact CG2-CD2 3.67Å; V617-L635 HydrophobicContact CG2-CG 4.47Å; L627-L635 HydrophobicContact CD1-CD2 4.15Å; T631-L635 VanDerWaalsContact O-CB 3.26Å; T631-L635 WeakPolarHBondContact O-CB 3.33Å; T631-L635 PolarHBondContact O-N 3.15Å; E632-L635 WeakPolarHBondContact O-CB 3.14Å; E632-L635 PolarHBondContact O-N 3Å; R633-L635 VanDerWaalsContact C-N 3.28Å; R633-L635 PolarHBondContact O-N 3.18Å; L635-S638 PolarHBondContact O-N 2.94Å; L635-S638 PolarHBondContact O-OG 2.82Å; L635-V639 HydrophobicContact CD1-CG2 4.35Å; L635-V639 WeakPolarHBondContact O-CG2 3.4Å; L635-V639 PolarHBondContact O-N 3.24Å; L635-V639 VanDerWaalsContact O-N 3.08Å |
| 636 | Q | 91.4 | Very high | 87.5 | Confident | 134 Ų | 134 | 63.8 Ų | 63.8 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58 | -53.3 | 178.3 | 179 | 177.1 | -15.2 | 0 | 0 | 111.7 | E632 R633 S638 V639 S640 | E632-Q636 WeakPolarHBondContact O-CB 3.38Å; E632-Q636 PolarHBondContact O-N 2.83Å; R633-Q636 PolarHBondContact O-N 3.41Å; R633-Q636 VanDerWaalsContact O-N 3.16Å; Q636-S638 VanDerWaalsContact C-N 3.34Å; Q636-S638 PolarHBondContact O-N 2.74Å; Q636-V639 PolarHBondContact O-N 3.47Å; Q636-S640 WeakPolarHBondContact O-CB 3.45Å; Q636-S640 PolarHBondContact O-N 2.93Å; Q636-S640 PolarHBondContact O-OG 3.22Å |
| 637 | E | 91.3 | Very high | 87.2 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | -179.7 | -65.9 | 177.9 | 177.6 | 0 | 0 | 111.6 | R633 V639 S640 L641 L654 L657 | R633-E637 HydrophobicContact CG-CG 4.33Å; R633-E637 IonicContact CZ-OE1 3.55Å; R633-E637 IonicContact NE-OE1 3.73Å; R633-E637 PolarHBondContact NE-OE1 2.92Å; R633-E637 IonicContact NH2-OE1 2.76Å; R633-E637 PolarHBondContact NH2-OE1 3.46Å; R633-E637 VanDerWaalsContact NH2-OE1 3.13Å; R633-E637 WeakPolarHBondContact O-CG 3.35Å; R633-E637 PolarHBondContact O-N 3.14Å; E637-V639 VanDerWaalsContact C-N 3.34Å; E637-V639 PolarHBondContact O-N 3.18Å; E637-S640 PolarHBondContact O-N 2.76Å; E637-L641 PolarHBondContact O-N 2.94Å; E637-L654 HydrophobicContact CB-CD2 4.32Å; E637-L654 HydrophobicContact CG-CD2 4.21Å; E637-L657 HydrophobicContact CB-CD2 3.83Å |
| 638 | S | 90.8 | Very high | 87 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.5 | -35.7 | 177.8 | 73 | 0 | 0 | 0 | 0 | 113.5 | F399 L634 L635 Q636 | F399-S638 VanDerWaalsContact CD1-O 3.3Å; F399-S638 WeakPolarHBondContact CD1-O 3.26Å; F399-S638 VanDerWaalsContact CE1-O 3.29Å; F399-S638 WeakPolarHBondContact CE1-O 3.49Å; L634-S638 WeakPolarHBondContact O-CB 3.07Å; L634-S638 PolarHBondContact O-N 3.48Å; L634-S638 PolarHBondContact O-OG 2.81Å; L634-S638 VanDerWaalsContact O-OG 3.06Å; L635-S638 PolarHBondContact O-N 2.94Å; L635-S638 PolarHBondContact O-OG 2.82Å; Q636-S638 VanDerWaalsContact C-N 3.34Å; Q636-S638 PolarHBondContact O-N 2.74Å |
| 639 | V | 87.1 | Confident | 86.6 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -78.8 | -38.4 | 176.6 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | L635 Q636 E637 L641 L642 | L635-V639 HydrophobicContact CD1-CG2 4.35Å; L635-V639 WeakPolarHBondContact O-CG2 3.4Å; L635-V639 PolarHBondContact O-N 3.24Å; L635-V639 VanDerWaalsContact O-N 3.08Å; Q636-V639 PolarHBondContact O-N 3.47Å; E637-V639 VanDerWaalsContact C-N 3.34Å; E637-V639 PolarHBondContact O-N 3.18Å; V639-L641 PolarHBondContact O-N 3.36Å; V639-L642 VanDerWaalsContact O-CB 3.31Å; V639-L642 WeakPolarHBondContact O-CB 3.42Å; V639-L642 PolarHBondContact O-N 3.23Å |
| 640 | S | 87.7 | Confident | 86.3 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.9 | -23.1 | 176.7 | -69.8 | 0 | 0 | 0 | 0 | 113.7 | Q636 E637 L642 A643 Y644 | Q636-S640 WeakPolarHBondContact O-CB 3.45Å; Q636-S640 PolarHBondContact O-N 2.93Å; Q636-S640 PolarHBondContact O-OG 3.22Å; E637-S640 PolarHBondContact O-N 2.76Å; S640-L642 PolarHBondContact O-N 2.82Å; S640-L642 VanDerWaalsContact O-N 3.15Å; S640-A643 WeakPolarHBondContact O-CB 3.4Å; S640-A643 PolarHBondContact O-N 3.45Å; S640-Y644 WeakPolarHBondContact O-CD2 3.42Å |
| 641 | L | 85 | Confident | 86 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -52.9 | -31.4 | 169.7 | -75 | 174 | 0 | 0 | 0 | 112.8 | I400 M403 E637 V639 A643 Y644 P647 L654 L657 L658 | I400-L641 HydrophobicContact CB-CD1 4.36Å; I400-L641 HydrophobicContact CG1-CD1 3.89Å; I400-L641 HydrophobicContact CG2-CD1 4.28Å; M403-L641 VanDerWaalsContact CE-C 3.49Å; M403-L641 HydrophobicContact CE-CB 3.82Å; M403-L641 WeakPolarHBondContact CE-O 3.22Å; M403-L641 HydrophobicContact SD-CB 3.57Å; M403-L641 VanDerWaalsContact SD-CB 3.57Å; E637-L641 PolarHBondContact O-N 2.94Å; V639-L641 PolarHBondContact O-N 3.36Å; L641-A643 PolarHBondContact O-N 3.06Å; L641-Y644 PolarHBondContact O-N 3.05Å; L641-Y644 VanDerWaalsContact O-N 3.11Å; L641-P647 HydrophobicContact CD2-CB 4.03Å; L641-L654 HydrophobicContact CD2-CB 3.63Å; L641-L654 HydrophobicContact CD2-CD1 4.3Å; L641-L654 HydrophobicContact CG-CB 4.48Å; L641-L654 HydrophobicContact CG-CD1 4.44Å; L641-L657 HydrophobicContact CD1-CD2 4.06Å; L641-L657 HydrophobicContact CG-CD2 4.39Å; L641-L658 HydrophobicContact CD1-CD2 3.83Å; L641-L658 HydrophobicContact CD2-CD2 4.15Å |
| 642 | L | 81.3 | Confident | 85.7 | Confident | 92 Ų | 92 | 66.1 Ų | 66.1 | 48% | 0.482 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -60.8 | -24.5 | 177 | -73.6 | 175.7 | 0 | 0 | 0 | 113.9 | F399 M403 V639 S640 Y644 | F399-L642 HydrophobicContact CE1-CD1 4.36Å; F399-L642 HydrophobicContact CE1-CD2 4.47Å; F399-L642 HydrophobicContact CE1-CG 4.09Å; F399-L642 HydrophobicContact CZ-CD1 3.9Å; F399-L642 HydrophobicContact CZ-CD2 3.89Å; F399-L642 HydrophobicContact CZ-CG 3.84Å; M403-L642 HydrophobicContact CE-CD2 4.1Å; M403-L642 HydrophobicContact SD-CD2 3.85Å; M403-L642 HydrophobicContact SD-CG 4.11Å; V639-L642 VanDerWaalsContact O-CB 3.31Å; V639-L642 WeakPolarHBondContact O-CB 3.42Å; V639-L642 PolarHBondContact O-N 3.23Å; S640-L642 PolarHBondContact O-N 2.82Å; S640-L642 VanDerWaalsContact O-N 3.15Å; L642-Y644 VanDerWaalsContact C-N 3.26Å; L642-Y644 PolarHBondContact O-N 2.68Å |
| 643 | A | 82.2 | Confident | 85.5 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -75.3 | -15.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S640 L641 | S640-A643 WeakPolarHBondContact O-CB 3.4Å; S640-A643 PolarHBondContact O-N 3.45Å; L641-A643 PolarHBondContact O-N 3.06Å |
| 644 | Y | 83.7 | Confident | 85.3 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | trans | -100.6 | 116.2 | -178.7 | -62 | -81.3 | 0 | 0 | 0 | 110.1 | S640 L641 L642 S646 P647 C652 P653 L654 | S640-Y644 WeakPolarHBondContact O-CD2 3.42Å; L641-Y644 PolarHBondContact O-N 3.05Å; L641-Y644 VanDerWaalsContact O-N 3.11Å; L642-Y644 VanDerWaalsContact C-N 3.26Å; L642-Y644 PolarHBondContact O-N 2.68Å; Y644-S646 PolarHBondContact O-N 3.39Å; Y644-P647 WeakPolarHBondContact O-CD 3.16Å; Y644-C652 HydrophobicContact CD1-CB 4.45Å; Y644-C652 VanDerWaalsContact CG-SG 3.51Å; Y644-P653 HydrophobicContact CE1-CG 4.05Å; Y644-P653 WeakPolarHBondContact OH-CG 3.27Å; Y644-L654 HydrophobicContact CD2-CD1 4.28Å; Y644-L654 HydrophobicContact CE2-CD1 3.8Å; Y644-L654 HydrophobicContact CE2-CG 4.2Å | ||
| 645 | P | 71.2 | Confident | 85 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 63% | 0.63 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -67 | -25.2 | -178 | 26 | -34.2 | 0 | 0 | 0 | 113.1 | R410 | R410-P645 PolarHBondContact NH1-O 3.13Š|
| 646 | S | 77.7 | Confident | 84.8 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | trans | -129.9 | 72.7 | 178.9 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | Y644 T648 S649 | Y644-S646 PolarHBondContact O-N 3.39Å; S646-T648 PolarHBondContact O-N 3.44Å; S646-T648 VanDerWaalsContact O-N 3.11Å; S646-S649 VanDerWaalsContact O-CB 3.32Å; S646-S649 WeakPolarHBondContact O-CB 3.3Å; S646-S649 PolarHBondContact O-N 3.12Å | ||
| 647 | P | 81.7 | Confident | 84.7 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.8 | -173.5 | 29.6 | -36.6 | 0 | 0 | 0 | 113.4 | M403 A407 L641 Y644 L658 | M403-P647 HydrophobicContact CE-CG 4.31Å; A407-P647 HydrophobicContact CB-CG 3.83Å; L641-P647 HydrophobicContact CD2-CB 4.03Å; Y644-P647 WeakPolarHBondContact O-CD 3.16Å; P647-L658 HydrophobicContact CB-CD1 4.31Å; P647-L658 VanDerWaalsContact O-CD1 3.3Å; P647-L658 WeakPolarHBondContact O-CD1 3.48Å |
| 648 | T | 83.3 | Confident | 84.6 | Confident | 49 Ų | 49 | 61 Ų | 61 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -15.4 | 172.8 | 45.2 | 0 | 0 | 0 | 0 | 113.7 | A407 V408 S646 R655 L658 | A407-T648 HydrophobicContact CB-CG2 3.85Å; V408-T648 HydrophobicContact CG2-CG2 4.39Å; S646-T648 PolarHBondContact O-N 3.44Å; S646-T648 VanDerWaalsContact O-N 3.11Å; T648-R655 PolarHBondContact O-NE 3.39Å; T648-R655 VanDerWaalsContact O-NE 3.15Å; T648-L658 HydrophobicContact CG2-CD1 3.76Å |
| 649 | S | 83.1 | Confident | 84.4 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -65.1 | 153.7 | -179.5 | -158.3 | 0 | 0 | 0 | 0 | 111.6 | S646 D651 C652 R655 | S646-S649 VanDerWaalsContact O-CB 3.32Å; S646-S649 WeakPolarHBondContact O-CB 3.3Å; S646-S649 PolarHBondContact O-N 3.12Å; S649-D651 WeakPolarHBondContact CB-OD2 3.43Å; S649-D651 PolarHBondContact O-N 3.17Å; S649-D651 PolarHBondContact OG-OD2 3.26Å; S649-C652 PolarHBondContact O-N 3.19Å; S649-R655 WeakPolarHBondContact O-CD 3.5Å |
| 650 | K | 82.9 | Confident | 84.3 | Confident | 174 Ų | 174 | 64.3 Ų | 64.3 | 76% | 0.757 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.1 | 177 | -68 | -176.8 | 179.3 | 179.9 | 0 | 112.3 | C652 | K650-C652 VanDerWaalsContact C-N 3.31Å; K650-C652 PolarHBondContact O-N 2.91Å |
| 651 | D | 83.1 | Confident | 84.4 | Confident | 136 Ų | 136 | 66.5 Ų | 66.5 | 73% | 0.727 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -4.4 | -175 | -20.7 | -81.8 | 0 | 0 | 0 | 113.1 | S649 P653 | S649-D651 WeakPolarHBondContact CB-OD2 3.43Å; S649-D651 PolarHBondContact O-N 3.17Å; S649-D651 PolarHBondContact OG-OD2 3.26Å; D651-P653 WeakPolarHBondContact O-CD 3.45Å |
| 652 | C | 85.5 | Confident | 84.6 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 5% | 0.047 | 40% | 0.4 | C | S | . | . | trans | -82.9 | 116.8 | 174.2 | -177 | 0 | 0 | 0 | 0 | 109.9 | Y644 S649 K650 L654 R655 | Y644-C652 HydrophobicContact CD1-CB 4.45Å; Y644-C652 VanDerWaalsContact CG-SG 3.51Å; S649-C652 PolarHBondContact O-N 3.19Å; K650-C652 VanDerWaalsContact C-N 3.31Å; K650-C652 PolarHBondContact O-N 2.91Å; C652-L654 PolarHBondContact O-N 3.39Å; C652-R655 HydrophobicContact CB-CB 4.28Å; C652-R655 WeakPolarHBondContact O-CB 3.31Å; C652-R655 PolarHBondContact O-N 2.72Å | ||
| 653 | P | 88.5 | Confident | 85.1 | Confident | 98 Ų | 98 | 68.7 Ų | 68.7 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.7 | -180 | 27.3 | -35.1 | 0 | 0 | 0 | 112.6 | Y644 D651 R655 | Y644-P653 HydrophobicContact CE1-CG 4.05Å; Y644-P653 WeakPolarHBondContact OH-CG 3.27Å; D651-P653 WeakPolarHBondContact O-CD 3.45Å; P653-R655 VanDerWaalsContact C-N 3.34Å |
| 654 | L | 88.4 | Confident | 85.4 | Confident | 30 Ų | 30 | 67.6 Ų | 67.6 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4.7 | 177 | -59 | 179.7 | 0 | 0 | 0 | 113.4 | E637 L641 Y644 C652 G656 L657 | E637-L654 HydrophobicContact CB-CD2 4.32Å; E637-L654 HydrophobicContact CG-CD2 4.21Å; L641-L654 HydrophobicContact CD2-CB 3.63Å; L641-L654 HydrophobicContact CD2-CD1 4.3Å; L641-L654 HydrophobicContact CG-CB 4.48Å; L641-L654 HydrophobicContact CG-CD1 4.44Å; Y644-L654 HydrophobicContact CD2-CD1 4.28Å; Y644-L654 HydrophobicContact CE2-CD1 3.8Å; Y644-L654 HydrophobicContact CE2-CG 4.2Å; C652-L654 PolarHBondContact O-N 3.39Å; L654-G656 PolarHBondContact O-N 3Å; L654-G656 VanDerWaalsContact O-N 3.16Å; L654-L657 WeakPolarHBondContact O-CB 3.22Å; L654-L657 PolarHBondContact O-N 2.88Å |
| 655 | R | 87.1 | Confident | 85.8 | Confident | 125 Ų | 125 | 66.4 Ų | 66.4 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -54 | -36.4 | -178.5 | -175 | -167.8 | -169.8 | -118.6 | -8.8 | 113.1 | T648 S649 C652 P653 L657 L658 | T648-R655 PolarHBondContact O-NE 3.39Å; T648-R655 VanDerWaalsContact O-NE 3.15Å; S649-R655 WeakPolarHBondContact O-CD 3.5Å; C652-R655 HydrophobicContact CB-CB 4.28Å; C652-R655 WeakPolarHBondContact O-CB 3.31Å; C652-R655 PolarHBondContact O-N 2.72Å; P653-R655 VanDerWaalsContact C-N 3.34Å; R655-L657 PolarHBondContact O-N 2.99Å; R655-L658 WeakPolarHBondContact O-CB 3.46Å; R655-L658 PolarHBondContact O-N 2.71Å; R655-L658 VanDerWaalsContact O-N 3.08Å |
| 656 | G | 87.3 | Confident | 86.8 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 53% | 0.526 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -62.2 | -22.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L654 L658 D659 W662 | L654-G656 PolarHBondContact O-N 3Å; L654-G656 VanDerWaalsContact O-N 3.16Å; G656-L658 PolarHBondContact O-N 3.02Å; G656-D659 WeakPolarHBondContact O-CB 3.44Å; G656-D659 PolarHBondContact O-N 2.8Å; G656-W662 PolarHBondContact O-NE1 3.13Å |
| 657 | L | 89.6 | Confident | 87.4 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -69.1 | -22.7 | 175.4 | -168.6 | 64.8 | 0 | 0 | 0 | 112.5 | R397 I400 L634 E637 L641 L654 R655 D659 | R397-L657 PolarHBondContact NH1-O 2.69Å; R397-L657 VanDerWaalsContact NH1-O 3.08Å; I400-L657 HydrophobicContact CD1-CD1 4.09Å; I400-L657 HydrophobicContact CD1-CD2 3.76Å; I400-L657 HydrophobicContact CD1-CG 3.76Å; I400-L657 HydrophobicContact CG1-CD2 4.02Å; I400-L657 HydrophobicContact CG1-CG 4.23Å; I400-L657 HydrophobicContact CG2-CG 4.42Å; L634-L657 HydrophobicContact CD1-CD1 3.91Å; E637-L657 HydrophobicContact CB-CD2 3.83Å; L641-L657 HydrophobicContact CD1-CD2 4.06Å; L641-L657 HydrophobicContact CG-CD2 4.39Å; L654-L657 WeakPolarHBondContact O-CB 3.22Å; L654-L657 PolarHBondContact O-N 2.88Å; R655-L657 PolarHBondContact O-N 2.99Å; L657-D659 VanDerWaalsContact C-N 3.3Å; L657-D659 PolarHBondContact O-N 2.74Å |
| 658 | L | 88.7 | Confident | 87.7 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -79.8 | -6.9 | 179 | -51.7 | -170.4 | 0 | 0 | 0 | 113.7 | I400 R404 L641 P647 T648 R655 G656 | I400-L658 HydrophobicContact CG2-CD2 3.79Å; R404-L658 HydrophobicContact CB-CD2 4.4Å; R404-L658 PolarHBondContact NH1-O 3.24Å; L641-L658 HydrophobicContact CD1-CD2 3.83Å; L641-L658 HydrophobicContact CD2-CD2 4.15Å; P647-L658 HydrophobicContact CB-CD1 4.31Å; P647-L658 VanDerWaalsContact O-CD1 3.3Å; P647-L658 WeakPolarHBondContact O-CD1 3.48Å; T648-L658 HydrophobicContact CG2-CD1 3.76Å; R655-L658 WeakPolarHBondContact O-CB 3.46Å; R655-L658 PolarHBondContact O-N 2.71Å; R655-L658 VanDerWaalsContact O-N 3.08Å; G656-L658 PolarHBondContact O-N 3.02Å |
| 659 | D | 86.8 | Confident | 88 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | trans | -61.9 | 138.1 | -170.9 | -165.2 | -72.5 | 0 | 0 | 0 | 113.2 | G656 L657 V661 W662 | G656-D659 WeakPolarHBondContact O-CB 3.44Å; G656-D659 PolarHBondContact O-N 2.8Å; L657-D659 VanDerWaalsContact C-N 3.3Å; L657-D659 PolarHBondContact O-N 2.74Å; D659-V661 PolarHBondContact O-N 3.42Å; D659-V661 VanDerWaalsContact OD1-CB 3.3Å; D659-V661 WeakPolarHBondContact OD1-CB 3.31Å; D659-V661 VanDerWaalsContact OD1-CG2 3.24Å; D659-V661 WeakPolarHBondContact OD1-CG2 3.35Å; D659-V661 PolarHBondContact OD1-N 3.46Å; D659-W662 PolarHBondContact O-N 3.09Å | ||
| 660 | P | 86.6 | Confident | 88.4 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -31.4 | 173.4 | -25.2 | 33.6 | 0 | 0 | 0 | 115.8 | W662 R663 | P660-W662 PolarHBondContact O-N 2.89Å; P660-R663 WeakPolarHBondContact O-CB 3.29Å; P660-R663 WeakPolarHBondContact O-CD 3.47Å; P660-R663 WeakPolarHBondContact O-CG 3.37Å; P660-R663 PolarHBondContact O-N 2.94Å |
| 661 | V | 88.2 | Confident | 88.7 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 58% | 0.582 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -53.9 | -38.4 | -177.2 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | D659 R663 D664 T665 | D659-V661 PolarHBondContact O-N 3.42Å; D659-V661 VanDerWaalsContact OD1-CB 3.3Å; D659-V661 WeakPolarHBondContact OD1-CB 3.31Å; D659-V661 VanDerWaalsContact OD1-CG2 3.24Å; D659-V661 WeakPolarHBondContact OD1-CG2 3.35Å; D659-V661 PolarHBondContact OD1-N 3.46Å; V661-R663 PolarHBondContact O-N 2.7Å; V661-D664 PolarHBondContact O-N 3.05Å; V661-T665 PolarHBondContact O-N 3.22Å; V661-T665 VanDerWaalsContact O-N 3.12Å; V661-T665 PolarHBondContact O-OG1 2.83Å |
| 662 | W | 90 | Very high | 88.7 | Confident | 88 Ų | 88 | 47.2 Ų | 47.2 | 33% | 0.333 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.5 | -21.9 | 179.2 | -64.5 | 115.1 | 0 | 0 | 0 | 114.5 | R397 G656 D659 P660 D664 T665 I666 | R397-W662 VanDerWaalsContact NH1-CB 3.3Å; R397-W662 VanDerWaalsContact NH2-CD2 3.25Å; G656-W662 PolarHBondContact O-NE1 3.13Å; D659-W662 PolarHBondContact O-N 3.09Å; P660-W662 PolarHBondContact O-N 2.89Å; W662-D664 VanDerWaalsContact C-N 3.35Å; W662-T665 HydrophobicContact CE3-CG2 4.09Å; W662-T665 HydrophobicContact CZ3-CG2 4.26Å; W662-T665 PolarHBondContact O-N 2.89Å; W662-I666 WeakPolarHBondContact O-CG2 3.4Å; W662-I666 PolarHBondContact O-N 2.95Å |
| 663 | R | 92.1 | Very high | 88.9 | Confident | 50 Ų | 50 | 47.9 Ų | 47.9 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 175.8 | -59.4 | 167.5 | -178 | -165.2 | -7.4 | 111.3 | C367 E401 P660 V661 A667 | C367-R663 PolarHBondContact SG-NE 3.18Å; C367-R663 PolarHBondContact SG-NH2 3Å; C367-R663 VanDerWaalsContact SG-NH2 3.4Å; E401-R663 VanDerWaalsContact CD-NH2 3.3Å; E401-R663 IonicContact OE1-NH2 3.7Å; E401-R663 PolarHBondContact OE1-NH2 3.16Å; E401-R663 VanDerWaalsContact OE1-NH2 3.11Å; E401-R663 IonicContact OE2-CZ 2.91Å; E401-R663 IonicContact OE2-NE 3.62Å; E401-R663 IonicContact OE2-NH2 3.11Å; E401-R663 PolarHBondContact OE2-NH2 3.37Å; P660-R663 WeakPolarHBondContact O-CB 3.29Å; P660-R663 WeakPolarHBondContact O-CD 3.47Å; P660-R663 WeakPolarHBondContact O-CG 3.37Å; P660-R663 PolarHBondContact O-N 2.94Å; V661-R663 PolarHBondContact O-N 2.7Å; R663-A667 WeakPolarHBondContact O-CB 3.47Å; R663-A667 PolarHBondContact O-N 2.98Å |
| 664 | D | 88.9 | Confident | 88.8 | Confident | 59 Ų | 59 | 43.2 Ų | 43.2 | 32% | 0.316 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -81.4 | -33.8 | 173.7 | -89.7 | -59.6 | 0 | 0 | 0 | 112 | R365 V661 W662 A667 S668 | R365-D664 IonicContact CZ-OD1 2.74Å; R365-D664 VanDerWaalsContact CZ-OD1 3.22Å; R365-D664 IonicContact CZ-OD2 2.66Å; R365-D664 VanDerWaalsContact NE-CG 3.35Å; R365-D664 IonicContact NE-OD1 3.49Å; R365-D664 PolarHBondContact NE-OD1 2.95Å; R365-D664 IonicContact NE-OD2 3.22Å; R365-D664 PolarHBondContact NE-OD2 3.06Å; R365-D664 VanDerWaalsContact NE-OD2 3.08Å; R365-D664 IonicContact NH2-OD1 2.81Å; R365-D664 PolarHBondContact NH2-OD1 2.99Å; R365-D664 IonicContact NH2-OD2 2.75Å; R365-D664 PolarHBondContact NH2-OD2 3.46Å; V661-D664 PolarHBondContact O-N 3.05Å; W662-D664 VanDerWaalsContact C-N 3.35Å; D664-A667 PolarHBondContact O-N 3.44Å; D664-S668 WeakPolarHBondContact O-CB 3.24Å; D664-S668 PolarHBondContact O-N 3.08Å |
| 665 | T | 90.6 | Very high | 88.6 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.8 | -52.7 | 173.6 | -47.6 | 0 | 0 | 0 | 0 | 111.4 | V661 W662 A667 S668 V669 | V661-T665 PolarHBondContact O-N 3.22Å; V661-T665 VanDerWaalsContact O-N 3.12Å; V661-T665 PolarHBondContact O-OG1 2.83Å; W662-T665 HydrophobicContact CE3-CG2 4.09Å; W662-T665 HydrophobicContact CZ3-CG2 4.26Å; W662-T665 PolarHBondContact O-N 2.89Å; T665-A667 VanDerWaalsContact C-N 3.33Å; T665-A667 PolarHBondContact O-N 2.9Å; T665-S668 WeakPolarHBondContact O-CB 3.25Å; T665-S668 PolarHBondContact O-N 3.12Å; T665-S668 VanDerWaalsContact O-N 3.09Å; T665-V669 PolarHBondContact O-N 3.48Å |
| 666 | I | 91.8 | Very high | 88.2 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.4 | -33.3 | 179.1 | -165.4 | 165.9 | 0 | 0 | 0 | 112.2 | C364 Y369 Q393 L394 R397 W662 S668 V669 I670 | C364-I666 HydrophobicContact CB-CG2 4.46Å; Y369-I666 HydrophobicContact CE1-CG2 4.14Å; Q393-I666 HydrophobicContact CB-CD1 4.05Å; L394-I666 HydrophobicContact CD2-CD1 4.03Å; L394-I666 HydrophobicContact CG-CD1 4.12Å; R397-I666 HydrophobicContact CB-CD1 4.35Å; R397-I666 HydrophobicContact CG-CD1 3.81Å; W662-I666 WeakPolarHBondContact O-CG2 3.4Å; W662-I666 PolarHBondContact O-N 2.95Å; I666-S668 VanDerWaalsContact C-N 3.28Å; I666-S668 PolarHBondContact O-N 2.9Å; I666-V669 PolarHBondContact O-N 3.4Å; I666-I670 HydrophobicContact CG1-CD1 4.22Å; I666-I670 WeakPolarHBondContact O-CD1 3.33Å; I666-I670 VanDerWaalsContact O-CG1 3.25Å; I666-I670 WeakPolarHBondContact O-CG1 3.08Å; I666-I670 PolarHBondContact O-N 2.79Å |
| 667 | A | 91.8 | Very high | 87.9 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -32.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R361 C364 R663 D664 T665 N671 | R361-A667 HydrophobicContact CB-CB 4.11Å; R361-A667 HydrophobicContact CG-CB 3.84Å; C364-A667 HydrophobicContact CB-CB 3.95Å; R663-A667 WeakPolarHBondContact O-CB 3.47Å; R663-A667 PolarHBondContact O-N 2.98Å; D664-A667 PolarHBondContact O-N 3.44Å; T665-A667 VanDerWaalsContact C-N 3.33Å; T665-A667 PolarHBondContact O-N 2.9Å; A667-N671 VanDerWaalsContact O-CB 3.31Å; A667-N671 WeakPolarHBondContact O-CB 3.26Å; A667-N671 PolarHBondContact O-N 2.89Å |
| 668 | S | 87 | Confident | 87.3 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.6 | -40.5 | 173.9 | -162.9 | 0 | 0 | 0 | 0 | 112.1 | D664 T665 I666 N671 S672 | D664-S668 WeakPolarHBondContact O-CB 3.24Å; D664-S668 PolarHBondContact O-N 3.08Å; T665-S668 WeakPolarHBondContact O-CB 3.25Å; T665-S668 PolarHBondContact O-N 3.12Å; T665-S668 VanDerWaalsContact O-N 3.09Å; I666-S668 VanDerWaalsContact C-N 3.28Å; I666-S668 PolarHBondContact O-N 2.9Å; S668-N671 PolarHBondContact O-N 2.86Å; S668-S672 WeakPolarHBondContact O-CB 3.2Å; S668-S672 PolarHBondContact O-N 3.05Å; S668-S672 PolarHBondContact O-OG 2.85Å |
| 669 | V | 89.6 | Confident | 86.4 | Confident | 61 Ų | 61 | 49.1 Ų | 49.1 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60 | -47 | 172 | 175 | 0 | 0 | 0 | 0 | 110.7 | L390 T665 I666 S672 A673 | L390-V669 HydrophobicContact CD1-CG1 3.93Å; T665-V669 PolarHBondContact O-N 3.48Å; I666-V669 PolarHBondContact O-N 3.4Å; V669-S672 PolarHBondContact O-N 3.33Å; V669-A673 WeakPolarHBondContact O-CB 3.34Å; V669-A673 PolarHBondContact O-N 3.01Å |
| 670 | I | 91.2 | Very high | 85.7 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 176 | -66.2 | 162.7 | 0 | 0 | 0 | 111 | L360 L376 L390 L394 I666 S672 A673 V674 | L360-I670 HydrophobicContact CD1-CG2 4.06Å; L376-I670 HydrophobicContact CD1-CG2 3.98Å; L376-I670 HydrophobicContact CD2-CG2 4.4Å; L390-I670 HydrophobicContact CD1-CG1 3.86Å; L390-I670 HydrophobicContact CD2-CG1 4.09Å; L390-I670 HydrophobicContact CG-CG1 4.18Å; L394-I670 HydrophobicContact CD1-CD1 4.2Å; L394-I670 HydrophobicContact CD2-CD1 3.92Å; L394-I670 HydrophobicContact CG-CD1 4.25Å; I666-I670 HydrophobicContact CG1-CD1 4.22Å; I666-I670 WeakPolarHBondContact O-CD1 3.33Å; I666-I670 VanDerWaalsContact O-CG1 3.25Å; I666-I670 WeakPolarHBondContact O-CG1 3.08Å; I666-I670 PolarHBondContact O-N 2.79Å; I670-S672 VanDerWaalsContact C-N 3.3Å; I670-S672 PolarHBondContact O-N 2.88Å; I670-A673 PolarHBondContact O-N 3.05Å; I670-V674 HydrophobicContact CG2-CG2 4.34Å; I670-V674 VanDerWaalsContact O-CG2 3.29Å; I670-V674 WeakPolarHBondContact O-CG2 3.45Å; I670-V674 PolarHBondContact O-N 2.89Å |
| 671 | N | 89 | Confident | 84.6 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 177 | -170.8 | 63.5 | 0 | 0 | 0 | 111.5 | H258 R357 A667 S668 V674 L675 | H258-N671 PolarHBondContact O-ND2 3.07Å; R357-N671 WeakPolarHBondContact CD-OD1 3.25Å; R357-N671 PolarHBondContact NH1-OD1 2.81Å; A667-N671 VanDerWaalsContact O-CB 3.31Å; A667-N671 WeakPolarHBondContact O-CB 3.26Å; A667-N671 PolarHBondContact O-N 2.89Å; S668-N671 PolarHBondContact O-N 2.86Å; N671-V674 PolarHBondContact O-N 3.19Å; N671-L675 WeakPolarHBondContact O-CB 3.48Å; N671-L675 VanDerWaalsContact O-CG 3.26Å; N671-L675 WeakPolarHBondContact O-CG 3.48Å; N671-L675 PolarHBondContact O-N 3.4Å |
| 672 | S | 85.1 | Confident | 83.7 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 178.4 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | S668 V669 I670 L675 K676 | S668-S672 WeakPolarHBondContact O-CB 3.2Å; S668-S672 PolarHBondContact O-N 3.05Å; S668-S672 PolarHBondContact O-OG 2.85Å; V669-S672 PolarHBondContact O-N 3.33Å; I670-S672 VanDerWaalsContact C-N 3.3Å; I670-S672 PolarHBondContact O-N 2.88Å; S672-L675 PolarHBondContact O-N 3.27Å; S672-K676 WeakPolarHBondContact O-CB 3.45Å; S672-K676 WeakPolarHBondContact O-CG 3.27Å; S672-K676 PolarHBondContact O-N 2.89Å |
| 673 | A | 87.7 | Confident | 82.8 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V383 L390 V669 I670 A677 | V383-A673 HydrophobicContact CG1-CB 3.81Å; L390-A673 HydrophobicContact CD2-CB 3.93Å; V669-A673 WeakPolarHBondContact O-CB 3.34Å; V669-A673 PolarHBondContact O-N 3.01Å; I670-A673 PolarHBondContact O-N 3.05Å; A673-A677 WeakPolarHBondContact O-CB 3.27Å; A673-A677 PolarHBondContact O-N 3.18Å |
| 674 | V | 87.4 | Confident | 82 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 173.6 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | R357 L376 Y380 V383 I670 N671 A677 H678 | R357-V674 HydrophobicContact CG-CB 4.48Å; R357-V674 HydrophobicContact CG-CG1 4.01Å; L376-V674 HydrophobicContact CD1-CG2 4.04Å; Y380-V674 HydrophobicContact CD1-CG1 3.66Å; Y380-V674 HydrophobicContact CD1-CG2 4.35Å; Y380-V674 HydrophobicContact CD2-CG1 4.33Å; Y380-V674 HydrophobicContact CD2-CG2 3.93Å; Y380-V674 HydrophobicContact CE1-CG1 3.34Å; Y380-V674 HydrophobicContact CE2-CG1 4.05Å; Y380-V674 HydrophobicContact CE2-CG2 4.18Å; Y380-V674 HydrophobicContact CG-CG1 4.14Å; Y380-V674 HydrophobicContact CG-CG2 4Å; V383-V674 HydrophobicContact CG2-CB 4.44Å; V383-V674 HydrophobicContact CG2-CG2 4.05Å; I670-V674 HydrophobicContact CG2-CG2 4.34Å; I670-V674 VanDerWaalsContact O-CG2 3.29Å; I670-V674 WeakPolarHBondContact O-CG2 3.45Å; I670-V674 PolarHBondContact O-N 2.89Å; N671-V674 PolarHBondContact O-N 3.19Å; V674-A677 PolarHBondContact O-N 2.78Å; V674-H678 PolarHBondContact O-CD2 3.4Å; V674-H678 VanDerWaalsContact O-CD2 3.27Å; V674-H678 PolarHBondContact O-N 2.63Å |
| 675 | L | 83.5 | Confident | 81.2 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -46.5 | 177.8 | -70.6 | 168.3 | 0 | 0 | 0 | 111.6 | H258 N671 S672 A677 H678 D679 L680 | H258-L675 WeakPolarHBondContact CD2-CD1 3.41Å; N671-L675 WeakPolarHBondContact O-CB 3.48Å; N671-L675 VanDerWaalsContact O-CG 3.26Å; N671-L675 WeakPolarHBondContact O-CG 3.48Å; N671-L675 PolarHBondContact O-N 3.4Å; S672-L675 PolarHBondContact O-N 3.27Å; L675-A677 PolarHBondContact O-N 3.02Å; L675-H678 CarbonylContact O-C 3.55Å; L675-H678 PolarHBondContact O-N 3.31Å; L675-D679 PolarHBondContact O-N 3.45Å; L675-L680 CarbonylContact C-O 3.59Å; L675-L680 HydrophobicContact CB-CB 4.16Å; L675-L680 HydrophobicContact CD2-CB 3.88Å; L675-L680 HydrophobicContact CD2-CD1 3.74Å; L675-L680 HydrophobicContact CD2-CG 4.48Å; L675-L680 PolarHBondContact O-N 3.41Å |
| 676 | K | 79.7 | Confident | 80.7 | Confident | 137 Ų | 137 | 40.6 Ų | 40.6 | 60% | 0.596 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60 | -29 | 173.7 | -74.7 | -172.2 | 176 | -168.4 | 0 | 113.7 | R386 S672 H678 A682 | R386-K676 PolarHBondContact NH1-O 2.9Å; R386-K676 VanDerWaalsContact NH1-O 3.11Å; S672-K676 WeakPolarHBondContact O-CB 3.45Å; S672-K676 WeakPolarHBondContact O-CG 3.27Å; S672-K676 PolarHBondContact O-N 2.89Å; K676-H678 VanDerWaalsContact C-N 3.29Å; K676-A682 HydrophobicContact CD-CB 4.31Å; K676-A682 HydrophobicContact CG-CB 3.95Å |
| 677 | A | 80.6 | Confident | 80.1 | Confident | 10 Ų | 10 | 42 Ų | 42 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q382 V383 A673 V674 L675 | Q382-A677 HydrophobicContact CG-CB 4.22Å; V383-A677 HydrophobicContact CB-CB 4.47Å; V383-A677 HydrophobicContact CG2-CB 3.43Å; V383-A677 VanDerWaalsContact CG2-CB 3.43Å; A673-A677 WeakPolarHBondContact O-CB 3.27Å; A673-A677 PolarHBondContact O-N 3.18Å; V674-A677 PolarHBondContact O-N 2.78Å; L675-A677 PolarHBondContact O-N 3.02Å |
| 678 | H | 76.2 | Confident | 79.2 | Confident | 86 Ų | 86 | 43.5 Ų | 43.5 | 40% | 0.398 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 19.2 | 171.2 | -71.7 | -65.2 | 0 | 0 | 0 | 111.9 | Y380 Q382 V674 L675 K676 L680 | Y380-H678 AromaticContact CD1-NE2 3.42Å; Y380-H678 WeakPolarHBondContact CD1-NE2 3.32Å; Y380-H678 AromaticContact CE1-NE2 3.38Å; Y380-H678 WeakPolarHBondContact CE1-NE2 3.32Å; Q382-H678 PolarHBondContact NE2-CE1 3.39Å; Q382-H678 VanDerWaalsContact NE2-CE1 3.32Å; Q382-H678 PolarHBondContact NE2-NE2 2.85Å; V674-H678 PolarHBondContact O-CD2 3.4Å; V674-H678 VanDerWaalsContact O-CD2 3.27Å; V674-H678 PolarHBondContact O-N 2.63Å; L675-H678 CarbonylContact O-C 3.55Å; L675-H678 PolarHBondContact O-N 3.31Å; K676-H678 VanDerWaalsContact C-N 3.29Å; H678-L680 HydrophobicContact CB-CD1 4.43Å; H678-L680 PolarHBondContact O-N 2.89Å; H678-L680 VanDerWaalsContact O-N 3.15Å |
| 679 | D | 71.6 | Confident | 78.6 | Confident | 115 Ų | 115 | 41.1 Ų | 41.1 | 62% | 0.615 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.7 | 177.4 | -42.7 | -28.6 | 0 | 0 | 0 | 113 | R386 L675 | R386-D679 IonicContact NH1-OD1 3.57Å; R386-D679 IonicContact NH2-OD1 2.62Å; L675-D679 PolarHBondContact O-N 3.45Å |
| 680 | L | 70.3 | Confident | 78 | Confident | 86 Ų | 86 | 42 Ų | 42 | 45% | 0.45 | 22% | 0.223 | S | C | . | . | trans | -102.3 | 148 | 175.4 | -68.1 | 174.3 | 0 | 0 | 0 | 110.9 | L675 H678 A682 | L675-L680 CarbonylContact C-O 3.59Å; L675-L680 HydrophobicContact CB-CB 4.16Å; L675-L680 HydrophobicContact CD2-CB 3.88Å; L675-L680 HydrophobicContact CD2-CD1 3.74Å; L675-L680 HydrophobicContact CD2-CG 4.48Å; L675-L680 PolarHBondContact O-N 3.41Å; H678-L680 HydrophobicContact CB-CD1 4.43Å; H678-L680 PolarHBondContact O-N 2.89Å; H678-L680 VanDerWaalsContact O-N 3.15Å; L680-A682 PolarHBondContact O-N 3Å | ||
| 681 | P | 64.3 | Low | 77.3 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 21% | 0.208 | 24% | 0.236 | C | C | . | . | trans | -59.4 | 132.4 | -177.3 | 19.2 | -29.5 | 0 | 0 | 0 | 112.8 | H258 Q683 A722 | H258-P681 PolarHBondContact CD2-O 3.1Å; P681-Q683 VanDerWaalsContact C-N 3.26Å; P681-Q683 WeakPolarHBondContact CB-O 3.39Å; P681-Q683 PolarHBondContact O-N 2.85Å; P681-A722 HydrophobicContact CB-CB 3.61Å; P681-A722 HydrophobicContact CG-CB 3.97Å | ||
| 682 | A | 68.5 | Low | 76.5 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -69 | -21.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | H258 K676 L680 | H258-A682 VanDerWaalsContact NE2-C 3.33Å; H258-A682 PolarHBondContact NE2-O 3.14Å; K676-A682 HydrophobicContact CD-CB 4.31Å; K676-A682 HydrophobicContact CG-CB 3.95Å; L680-A682 PolarHBondContact O-N 3Å |
| 683 | Q | 71.2 | Confident | 75.9 | Confident | 87 Ų | 87 | 46 Ų | 46 | 41% | 0.407 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -129.3 | 149.3 | 171.2 | -65.6 | -174 | 4.2 | 0 | 0 | 109.7 | H258 P681 A685 | H258-Q683 WeakPolarHBondContact NE2-CA 3.27Å; P681-Q683 VanDerWaalsContact C-N 3.26Å; P681-Q683 WeakPolarHBondContact CB-O 3.39Å; P681-Q683 PolarHBondContact O-N 2.85Å; Q683-A685 PolarHBondContact O-N 3.35Å |
| 684 | P | 77 | Confident | 75.3 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | trans | -59.6 | 134.1 | 173.6 | -23 | 35.3 | 0 | 0 | 0 | 111.7 | Y255 H258 L686 E687 H688 | Y255-P684 HydrophobicContact CD2-CB 3.81Å; Y255-P684 HydrophobicContact CD2-CG 3.76Å; Y255-P684 HydrophobicContact CE2-CG 4.43Å; Y255-P684 HydrophobicContact CG-CB 4.46Å; H258-P684 HydrophobicContact CB-CG 3.98Å; P684-L686 PolarHBondContact O-N 2.68Å; P684-L686 VanDerWaalsContact O-N 3.08Å; P684-E687 HydrophobicContact CB-CB 4.45Å; P684-E687 HydrophobicContact CB-CG 4.19Å; P684-E687 VanDerWaalsContact CD-CD 3.49Å; P684-E687 WeakPolarHBondContact CD-OE1 3.31Å; P684-E687 HydrophobicContact CG-CG 4.16Å; P684-E687 WeakPolarHBondContact CG-OE1 3.37Å; P684-E687 PolarHBondContact O-N 3.21Å; P684-H688 PolarHBondContact O-N 3.41Å | ||
| 685 | A | 72.3 | Confident | 74.6 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.9 | -31.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L251 Q683 G689 P718 I721 | L251-A685 HydrophobicContact CD2-CB 3.7Å; Q683-A685 PolarHBondContact O-N 3.35Å; A685-G689 PolarHBondContact O-N 3.26Å; A685-P718 HydrophobicContact CB-CB 3.89Å; A685-P718 HydrophobicContact CB-CG 4.12Å; A685-I721 HydrophobicContact CB-CD1 3.64Å |
| 686 | L | 78.7 | Confident | 73.8 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.2 | -175.6 | 60.4 | 0 | 0 | 0 | 112.7 | L251 V252 Y255 P684 L690 | L251-L686 HydrophobicContact CB-CB 4.39Å; L251-L686 HydrophobicContact CB-CD1 4.4Å; V252-L686 HydrophobicContact CG2-CD2 4.49Å; Y255-L686 HydrophobicContact CG-CD2 4.48Å; P684-L686 PolarHBondContact O-N 2.68Å; P684-L686 VanDerWaalsContact O-N 3.08Å; L686-L690 WeakPolarHBondContact O-CB 3.33Å; L686-L690 PolarHBondContact O-N 3.09Å |
| 687 | E | 79.8 | Confident | 73.1 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 17% | 0.173 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.5 | -42.8 | 175.8 | -70.3 | 176.5 | -155.2 | 0 | 0 | 111.4 | Y255 H259 P684 L690 R691 | Y255-E687 HydrophobicContact CD2-CG 4.33Å; Y255-E687 HydrophobicContact CE2-CG 4.17Å; Y255-E687 WeakPolarHBondContact CE2-OE1 3.27Å; H259-E687 IonicContact CD2-OE1 3.21Å; H259-E687 IonicContact CE1-OE1 2.74Å; H259-E687 IonicContact NE2-OE1 2.69Å; H259-E687 PolarHBondContact NE2-OE1 3.21Å; P684-E687 HydrophobicContact CB-CB 4.45Å; P684-E687 HydrophobicContact CB-CG 4.19Å; P684-E687 VanDerWaalsContact CD-CD 3.49Å; P684-E687 WeakPolarHBondContact CD-OE1 3.31Å; P684-E687 HydrophobicContact CG-CG 4.16Å; P684-E687 WeakPolarHBondContact CG-OE1 3.37Å; P684-E687 PolarHBondContact O-N 3.21Å; E687-L690 PolarHBondContact O-N 3.2Å; E687-R691 WeakPolarHBondContact O-CB 3.48Å; E687-R691 PolarHBondContact O-N 3.16Å |
| 688 | H | 73.5 | Confident | 72.6 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 17% | 0.167 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 179 | -166 | 133.3 | 0 | 0 | 0 | 110.3 | P684 L690 R691 A692 D725 L919 | P684-H688 PolarHBondContact O-N 3.41Å; H688-L690 PolarHBondContact O-N 3.3Å; H688-R691 PolarHBondContact O-N 2.92Å; H688-A692 PolarHBondContact O-N 2.84Å; H688-D725 IonicContact CE1-OD1 2.86Å; H688-D725 IonicContact CE1-OD2 3.21Å; H688-D725 PolarHBondContact CE1-OD2 2.86Å; H688-D725 IonicContact ND1-OD2 2.78Å; H688-D725 PolarHBondContact ND1-OD2 2.81Å; H688-L919 WeakPolarHBondContact CD2-CD2 3.46Å; H688-L919 WeakPolarHBondContact NE2-CD2 3.25Å |
| 689 | G | 72.9 | Confident | 72.5 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A685 L693 L712 | A685-G689 PolarHBondContact O-N 3.26Å; G689-L693 WeakPolarHBondContact O-CB 3.09Å; G689-L693 PolarHBondContact O-N 3.09Å; G689-L712 WeakPolarHBondContact O-CD1 3.45Å |
| 690 | L | 78.1 | Confident | 72.2 | Confident | 80 Ų | 80 | 59.2 Ų | 59.2 | 42% | 0.419 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.1 | -178.8 | 61.8 | 0 | 0 | 0 | 111.6 | L686 E687 H688 L693 Q694 | L686-L690 WeakPolarHBondContact O-CB 3.33Å; L686-L690 PolarHBondContact O-N 3.09Å; E687-L690 PolarHBondContact O-N 3.2Å; H688-L690 PolarHBondContact O-N 3.3Å; L690-L693 PolarHBondContact O-N 3Å; L690-Q694 HydrophobicContact CD1-CG 4.42Å; L690-Q694 HydrophobicContact CG-CG 4.5Å; L690-Q694 WeakPolarHBondContact O-CB 3.42Å; L690-Q694 VanDerWaalsContact O-CG 3.27Å; L690-Q694 WeakPolarHBondContact O-CG 3.26Å; L690-Q694 PolarHBondContact O-N 2.84Å |
| 691 | R | 75.3 | Confident | 71.9 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 179.8 | -166.9 | -175.2 | -57.4 | 113.5 | -0.2 | 112.5 | E687 H688 Q694 R695 | E687-R691 WeakPolarHBondContact O-CB 3.48Å; E687-R691 PolarHBondContact O-N 3.16Å; H688-R691 PolarHBondContact O-N 2.92Å; R691-Q694 PolarHBondContact O-N 2.88Å; R691-R695 WeakPolarHBondContact O-CG 3.43Å; R691-R695 PolarHBondContact O-N 3.24Å |
| 692 | A | 72.3 | Confident | 71.9 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H688 R695 C696 L708 L919 | H688-A692 PolarHBondContact O-N 2.84Å; A692-R695 PolarHBondContact O-N 3.48Å; A692-C696 PolarHBondContact O-N 3.45Å; A692-C696 VanDerWaalsContact O-N 3.09Å; A692-C696 PolarHBondContact O-SG 3.4Å; A692-C696 VanDerWaalsContact O-SG 3.37Å; A692-L708 HydrophobicContact CB-CD2 3.79Å; A692-L919 HydrophobicContact CB-CD2 3.61Å; A692-L919 HydrophobicContact CB-CG 3.91Å |
| 693 | L | 73.7 | Confident | 71.2 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 175.3 | -175.3 | 65.7 | 0 | 0 | 0 | 112.4 | G689 L690 C696 F697 A705 | G689-L693 WeakPolarHBondContact O-CB 3.09Å; G689-L693 PolarHBondContact O-N 3.09Å; L690-L693 PolarHBondContact O-N 3Å; L693-C696 PolarHBondContact O-N 3.01Å; L693-F697 HydrophobicContact CD1-CD2 4.35Å; L693-F697 HydrophobicContact CD1-CE2 3.86Å; L693-F697 HydrophobicContact CD2-CE2 4.18Å; L693-F697 HydrophobicContact CG-CD2 4.04Å; L693-F697 HydrophobicContact CG-CE2 3.71Å; L693-F697 VanDerWaalsContact O-CD2 3.22Å; L693-F697 WeakPolarHBondContact O-CD2 3.08Å; L693-F697 PolarHBondContact O-N 2.82Å; L693-F697 VanDerWaalsContact O-N 3.09Å; L693-A705 HydrophobicContact CD1-CB 3.85Å; L693-A705 VanDerWaalsContact CD1-O 3.24Å; L693-A705 WeakPolarHBondContact CD1-O 3.43Å |
| 694 | Q | 73.6 | Confident | 70.7 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 34% | 0.341 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 173.5 | -76.9 | 168.8 | -33.4 | 0 | 0 | 111.6 | L690 R691 F697 Q698 | L690-Q694 HydrophobicContact CD1-CG 4.42Å; L690-Q694 HydrophobicContact CG-CG 4.5Å; L690-Q694 WeakPolarHBondContact O-CB 3.42Å; L690-Q694 VanDerWaalsContact O-CG 3.27Å; L690-Q694 WeakPolarHBondContact O-CG 3.26Å; L690-Q694 PolarHBondContact O-N 2.84Å; R691-Q694 PolarHBondContact O-N 2.88Å; Q694-F697 PolarHBondContact O-N 3.06Å; Q694-F697 VanDerWaalsContact O-N 3.15Å; Q694-Q698 WeakPolarHBondContact O-CG 3.33Å; Q694-Q698 PolarHBondContact O-N 3.11Å |
| 695 | R | 72.8 | Confident | 70 | Confident | 133 Ų | 133 | 59.6 Ų | 59.6 | 50% | 0.502 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.2 | -74.8 | 176.6 | 171.8 | 179.3 | -5.1 | 112.4 | R691 A692 F697 Q698 D699 Y918 | R691-R695 WeakPolarHBondContact O-CG 3.43Å; R691-R695 PolarHBondContact O-N 3.24Å; A692-R695 PolarHBondContact O-N 3.48Å; R695-F697 VanDerWaalsContact C-N 3.26Å; R695-F697 PolarHBondContact O-N 2.93Å; R695-Q698 PolarHBondContact O-N 3.5Å; R695-D699 WeakPolarHBondContact O-CB 3.21Å; R695-D699 PolarHBondContact O-N 3.48Å; R695-Y918 HydrophobicContact CB-CD1 3.82Å; R695-Y918 HydrophobicContact CB-CE1 4.04Å |
| 696 | C | 67.7 | Low | 69.5 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.2 | -35.5 | 174.5 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | A692 L693 K700 N701 A705 L708 Y918 | A692-C696 PolarHBondContact O-N 3.45Å; A692-C696 VanDerWaalsContact O-N 3.09Å; A692-C696 PolarHBondContact O-SG 3.4Å; A692-C696 VanDerWaalsContact O-SG 3.37Å; L693-C696 PolarHBondContact O-N 3.01Å; C696-K700 PolarHBondContact O-N 2.81Å; C696-N701 PolarHBondContact O-N 3.47Å; C696-A705 HydrophobicContact CB-CB 3.56Å; C696-L708 WeakPolarHBondContact SG-CD2 3.24Å; C696-Y918 VanDerWaalsContact SG-CD1 3.53Å; C696-Y918 WeakPolarHBondContact SG-CD2 3.45Å |
| 697 | F | 65.1 | Low | 68.5 | Low | 112 Ų | 112 | 64 Ų | 64 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73 | -38.1 | 175.3 | -78.1 | -59.4 | 0 | 0 | 0 | 113.4 | L693 Q694 R695 K700 F702 A705 | L693-F697 HydrophobicContact CD1-CD2 4.35Å; L693-F697 HydrophobicContact CD1-CE2 3.86Å; L693-F697 HydrophobicContact CD2-CE2 4.18Å; L693-F697 HydrophobicContact CG-CD2 4.04Å; L693-F697 HydrophobicContact CG-CE2 3.71Å; L693-F697 VanDerWaalsContact O-CD2 3.22Å; L693-F697 WeakPolarHBondContact O-CD2 3.08Å; L693-F697 PolarHBondContact O-N 2.82Å; L693-F697 VanDerWaalsContact O-N 3.09Å; Q694-F697 PolarHBondContact O-N 3.06Å; Q694-F697 VanDerWaalsContact O-N 3.15Å; R695-F697 VanDerWaalsContact C-N 3.26Å; R695-F697 PolarHBondContact O-N 2.93Å; F697-K700 PolarHBondContact O-N 3.45Å; F697-F702 AromaticContact CD1-CD1 3.81Å; F697-F702 HydrophobicContact CD1-CD1 3.81Å; F697-F702 HydrophobicContact CD1-CE1 4.01Å; F697-F702 HydrophobicContact CE1-CD1 4.04Å; F697-A705 HydrophobicContact CD1-CB 4.4Å; F697-A705 HydrophobicContact CE1-CB 4.19Å; F697-A705 HydrophobicContact CE2-CB 4.45Å; F697-A705 HydrophobicContact CZ-CB 4.21Å |
| 698 | Q | 70.8 | Confident | 67.7 | Low | 123 Ų | 123 | 62.3 Ų | 62.3 | 58% | 0.575 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61 | -45.8 | 173.8 | -74 | 168.4 | -36.5 | 0 | 0 | 110.8 | Q694 R695 K700 | Q694-Q698 WeakPolarHBondContact O-CG 3.33Å; Q694-Q698 PolarHBondContact O-N 3.11Å; R695-Q698 PolarHBondContact O-N 3.5Å; Q698-K700 PolarHBondContact O-N 3.08Å |
| 699 | D | 72.4 | Confident | 67.3 | Low | 81 Ų | 81 | 61.2 Ų | 61.2 | 43% | 0.433 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -1.2 | 177.3 | -66.5 | 4.4 | 0 | 0 | 0 | 113.5 | R695 N701 Y918 | R695-D699 WeakPolarHBondContact O-CB 3.21Å; R695-D699 PolarHBondContact O-N 3.48Å; D699-N701 HydrophobicContact CB-CB 4.47Å; D699-N701 PolarHBondContact O-N 2.75Å; D699-N701 VanDerWaalsContact O-N 3.12Å; D699-Y918 HydrophobicContact CB-CE1 4.49Å; D699-Y918 WeakPolarHBondContact CB-OH 3.43Å; D699-Y918 WeakPolarHBondContact OD2-CE1 3.48Å; D699-Y918 VanDerWaalsContact OD2-CZ 3.27Å; D699-Y918 PolarHBondContact OD2-OH 2.87Å |
| 700 | K | 65.2 | Low | 66.7 | Low | 131 Ų | 131 | 65.5 Ų | 65.5 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 15.7 | -175.9 | -52.2 | 166.4 | -168.1 | 157.7 | 0 | 114.5 | C696 F697 Q698 F702 | C696-K700 PolarHBondContact O-N 2.81Å; F697-K700 PolarHBondContact O-N 3.45Å; Q698-K700 PolarHBondContact O-N 3.08Å; K700-F702 HydrophobicContact CB-CE2 3.96Å; K700-F702 HydrophobicContact CB-CZ 3.95Å; K700-F702 HydrophobicContact CG-CZ 4.36Å; K700-F702 WeakPolarHBondContact O-CD2 3.14Å; K700-F702 WeakPolarHBondContact O-CE2 3.31Å; K700-F702 WeakPolarHBondContact O-CG 3.37Å; K700-F702 PolarHBondContact O-N 3.1Å |
| 701 | N | 64 | Low | 65.6 | Low | 47 Ų | 47 | 64 Ų | 64 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | trans | -80.4 | 69.5 | 177.6 | -73.2 | -29.7 | 0 | 0 | 0 | 109.2 | C696 D699 V703 E704 A705 Y918 | C696-N701 PolarHBondContact O-N 3.47Å; D699-N701 HydrophobicContact CB-CB 4.47Å; D699-N701 PolarHBondContact O-N 2.75Å; D699-N701 VanDerWaalsContact O-N 3.12Å; N701-V703 VanDerWaalsContact C-N 3.3Å; N701-V703 PolarHBondContact O-N 2.62Å; N701-E704 VanDerWaalsContact CA-OE2 3.29Å; N701-E704 WeakPolarHBondContact CA-OE2 3.46Å; N701-E704 HydrophobicContact CB-CB 3.96Å; N701-E704 HydrophobicContact CB-CG 3.99Å; N701-E704 VanDerWaalsContact CB-OE2 3.3Å; N701-E704 WeakPolarHBondContact CB-OE2 3.42Å; N701-E704 WeakPolarHBondContact O-CB 3.43Å; N701-E704 PolarHBondContact O-N 3.33Å; N701-A705 WeakPolarHBondContact O-CB 3.03Å; N701-A705 PolarHBondContact O-N 3.44Å; N701-Y918 PolarHBondContact ND2-OH 2.76Å | ||
| 702 | F | 64.1 | Low | 65 | Low | 105 Ų | 105 | 61.6 Ų | 61.6 | 46% | 0.461 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.5 | -27.8 | -171.9 | -57.3 | -62.1 | 0 | 0 | 0 | 113.5 | F697 K700 Q706 | F697-F702 AromaticContact CD1-CD1 3.81Å; F697-F702 HydrophobicContact CD1-CD1 3.81Å; F697-F702 HydrophobicContact CD1-CE1 4.01Å; F697-F702 HydrophobicContact CE1-CD1 4.04Å; K700-F702 HydrophobicContact CB-CE2 3.96Å; K700-F702 HydrophobicContact CB-CZ 3.95Å; K700-F702 HydrophobicContact CG-CZ 4.36Å; K700-F702 WeakPolarHBondContact O-CD2 3.14Å; K700-F702 WeakPolarHBondContact O-CE2 3.31Å; K700-F702 WeakPolarHBondContact O-CG 3.37Å; K700-F702 PolarHBondContact O-N 3.1Å; F702-Q706 WeakPolarHBondContact O-CB 3.42Å; F702-Q706 PolarHBondContact O-N 2.78Å |
| 703 | V | 55.1 | Low | 64.3 | Low | 55 Ų | 55 | 64.4 Ų | 64.4 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.2 | -33.8 | 179.6 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | N701 Q706 T707 R911 | N701-V703 VanDerWaalsContact C-N 3.3Å; N701-V703 PolarHBondContact O-N 2.62Å; V703-Q706 PolarHBondContact O-N 2.94Å; V703-T707 WeakPolarHBondContact O-CB 3.36Å; V703-T707 PolarHBondContact O-N 2.86Å; V703-T707 PolarHBondContact O-OG1 2.83Å; V703-R911 VanDerWaalsContact CG1-CZ 3.42Å |
| 704 | E | 60.5 | Low | 63.3 | Low | 32 Ų | 32 | 64.7 Ų | 64.7 | 15% | 0.15 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.9 | -43.1 | 174.4 | -59.6 | 55.2 | -125.2 | 0 | 0 | 108.2 | N701 Q706 T707 L708 D914 Y918 | N701-E704 VanDerWaalsContact CA-OE2 3.29Å; N701-E704 WeakPolarHBondContact CA-OE2 3.46Å; N701-E704 HydrophobicContact CB-CB 3.96Å; N701-E704 HydrophobicContact CB-CG 3.99Å; N701-E704 VanDerWaalsContact CB-OE2 3.3Å; N701-E704 WeakPolarHBondContact CB-OE2 3.42Å; N701-E704 WeakPolarHBondContact O-CB 3.43Å; N701-E704 PolarHBondContact O-N 3.33Å; E704-Q706 PolarHBondContact O-N 3.38Å; E704-T707 PolarHBondContact O-N 2.71Å; E704-L708 WeakPolarHBondContact O-CB 3.35Å; E704-L708 PolarHBondContact O-N 2.76Å; E704-D914 HydrophobicContact CG-CB 4.07Å; E704-Y918 HydrophobicContact CB-CE2 4.46Å |
| 705 | A | 61.9 | Low | 62.3 | Low | 2 Ų | 2 | 66.2 Ų | 66.2 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L693 C696 F697 N701 G709 | L693-A705 HydrophobicContact CD1-CB 3.85Å; L693-A705 VanDerWaalsContact CD1-O 3.24Å; L693-A705 WeakPolarHBondContact CD1-O 3.43Å; C696-A705 HydrophobicContact CB-CB 3.56Å; F697-A705 HydrophobicContact CD1-CB 4.4Å; F697-A705 HydrophobicContact CE1-CB 4.19Å; F697-A705 HydrophobicContact CE2-CB 4.45Å; F697-A705 HydrophobicContact CZ-CB 4.21Å; N701-A705 WeakPolarHBondContact O-CB 3.03Å; N701-A705 PolarHBondContact O-N 3.44Å; A705-G709 PolarHBondContact O-N 3.18Å |
| 706 | Q | 61.2 | Low | 61.4 | Low | 136 Ų | 136 | 60.6 Ų | 60.6 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65 | -44 | 175.7 | -174 | -178.7 | 7.9 | 0 | 0 | 111.7 | F702 V703 E704 H710 | F702-Q706 WeakPolarHBondContact O-CB 3.42Å; F702-Q706 PolarHBondContact O-N 2.78Å; V703-Q706 PolarHBondContact O-N 2.94Å; E704-Q706 PolarHBondContact O-N 3.38Å; Q706-H710 WeakPolarHBondContact O-CB 3.46Å; Q706-H710 PolarHBondContact O-N 2.84Å |
| 707 | T | 58.9 | Low | 60.8 | Low | 31 Ų | 31 | 62.9 Ų | 62.9 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.1 | -42.4 | -180 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | V703 E704 H710 F711 L915 | V703-T707 WeakPolarHBondContact O-CB 3.36Å; V703-T707 PolarHBondContact O-N 2.86Å; V703-T707 PolarHBondContact O-OG1 2.83Å; E704-T707 PolarHBondContact O-N 2.71Å; T707-H710 PolarHBondContact O-N 3.34Å; T707-F711 WeakPolarHBondContact O-CB 3.4Å; T707-F711 PolarHBondContact O-N 3.06Å; T707-L915 HydrophobicContact CG2-CD1 4.35Å; T707-L915 HydrophobicContact CG2-CD2 4.31Å |
| 708 | L | 63.7 | Low | 60.3 | Low | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 176.1 | 173.3 | 61.9 | 0 | 0 | 0 | 111.6 | A692 C696 E704 H710 F711 L712 L915 L919 | A692-L708 HydrophobicContact CB-CD2 3.79Å; C696-L708 WeakPolarHBondContact SG-CD2 3.24Å; E704-L708 WeakPolarHBondContact O-CB 3.35Å; E704-L708 PolarHBondContact O-N 2.76Å; L708-H710 VanDerWaalsContact C-N 3.32Å; L708-H710 PolarHBondContact O-N 3.19Å; L708-F711 PolarHBondContact O-N 3.2Å; L708-L712 HydrophobicContact CD1-CD1 3.91Å; L708-L712 HydrophobicContact CD1-CG 3.99Å; L708-L712 HydrophobicContact CG-CD1 3.86Å; L708-L712 HydrophobicContact CG-CG 4.4Å; L708-L712 WeakPolarHBondContact O-CB 3.46Å; L708-L712 WeakPolarHBondContact O-CG 3.29Å; L708-L712 PolarHBondContact O-N 3.09Å; L708-L915 HydrophobicContact CB-CD2 4.27Å; L708-L919 HydrophobicContact CD1-CD1 3.4Å; L708-L919 HydrophobicContact CD1-CG 3.98Å |
| 709 | G | 63.8 | Low | 59.6 | Low | 13 Ų | 13 | 56.3 Ų | 56.3 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A705 F711 L713 | A705-G709 PolarHBondContact O-N 3.18Å; G709-F711 VanDerWaalsContact C-N 3.35Å; G709-F711 PolarHBondContact O-N 3.07Å; G709-L713 VanDerWaalsContact O-CB 3.27Å; G709-L713 WeakPolarHBondContact O-CB 3.41Å; G709-L713 VanDerWaalsContact O-CD1 3.3Å; G709-L713 WeakPolarHBondContact O-CD1 3.25Å; G709-L713 WeakPolarHBondContact O-CG 3.48Å; G709-L713 PolarHBondContact O-N 3.16Å |
| 710 | H | 60.2 | Low | 59 | Low | 96 Ų | 96 | 55.7 Ų | 55.7 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 172.1 | -166.6 | -65.2 | 0 | 0 | 0 | 112 | Q706 T707 L708 L713 Y714 | Q706-H710 WeakPolarHBondContact O-CB 3.46Å; Q706-H710 PolarHBondContact O-N 2.84Å; T707-H710 PolarHBondContact O-N 3.34Å; L708-H710 VanDerWaalsContact C-N 3.32Å; L708-H710 PolarHBondContact O-N 3.19Å; H710-L713 PolarHBondContact O-N 3.05Å; H710-Y714 HydrophobicContact CB-CD2 4.43Å; H710-Y714 AromaticContact CD2-CD2 3.84Å; H710-Y714 AromaticContact CD2-CE2 3.68Å; H710-Y714 AromaticContact CE1-CD2 3.42Å; H710-Y714 VanDerWaalsContact CE1-CD2 3.42Å; H710-Y714 WeakPolarHBondContact CE1-CD2 3.32Å; H710-Y714 AromaticContact CE1-CE2 3.82Å; H710-Y714 AromaticContact CE1-CG 3.6Å; H710-Y714 AromaticContact CG-CD2 3.65Å; H710-Y714 AromaticContact CG-CE2 3.94Å; H710-Y714 AromaticContact ND1-CD2 3.38Å; H710-Y714 WeakPolarHBondContact ND1-CD2 3.44Å; H710-Y714 AromaticContact ND1-CG 3.79Å; H710-Y714 AromaticContact NE2-CD2 3.72Å; H710-Y714 AromaticContact NE2-CE2 3.63Å; H710-Y714 VanDerWaalsContact O-CB 3.31Å; H710-Y714 WeakPolarHBondContact O-CB 3.18Å; H710-Y714 VanDerWaalsContact O-CD2 3.24Å; H710-Y714 WeakPolarHBondContact O-CD2 3.44Å; H710-Y714 PolarHBondContact O-N 3.13Å |
| 711 | F | 55.7 | Low | 58.5 | Low | 48 Ų | 48 | 50.2 Ų | 50.2 | 21% | 0.211 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 179.6 | -163.3 | -87 | 0 | 0 | 0 | 112.7 | T707 L708 G709 L713 H715 L716 L922 | T707-F711 WeakPolarHBondContact O-CB 3.4Å; T707-F711 PolarHBondContact O-N 3.06Å; L708-F711 PolarHBondContact O-N 3.2Å; G709-F711 VanDerWaalsContact C-N 3.35Å; G709-F711 PolarHBondContact O-N 3.07Å; F711-L713 VanDerWaalsContact C-N 3.35Å; F711-L713 PolarHBondContact O-N 3.43Å; F711-H715 HydrophobicContact CD1-CB 4.29Å; F711-H715 HydrophobicContact CD2-CB 4.12Å; F711-H715 AromaticContact CD2-CD2 3.84Å; F711-H715 HydrophobicContact CE1-CB 4.07Å; F711-H715 HydrophobicContact CE2-CB 3.9Å; F711-H715 HydrophobicContact CG-CB 4.31Å; F711-H715 HydrophobicContact CZ-CB 3.88Å; F711-H715 WeakPolarHBondContact O-CA 3.4Å; F711-H715 WeakPolarHBondContact O-CB 3.5Å; F711-H715 PolarHBondContact O-N 2.82Å; F711-L716 HydrophobicContact CD1-CD1 3.65Å; F711-L716 HydrophobicContact CD1-CG 3.94Å; F711-L716 HydrophobicContact CE1-CD1 3.72Å; F711-L716 HydrophobicContact CE1-CD2 3.97Å; F711-L716 HydrophobicContact CE1-CG 3.64Å; F711-L922 HydrophobicContact CD1-CD1 3.53Å; F711-L922 HydrophobicContact CD1-CD2 4.5Å; F711-L922 HydrophobicContact CE1-CD1 3.55Å; F711-L922 HydrophobicContact CE1-CD2 3.92Å; F711-L922 HydrophobicContact CE1-CG 4.23Å; F711-L922 HydrophobicContact CG-CD1 4.34Å; F711-L922 HydrophobicContact CZ-CD1 4.37Å |
| 712 | L | 61.6 | Low | 58.1 | Low | 26 Ų | 26 | 48.9 Ų | 48.9 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 174.2 | -72.9 | 164.7 | 0 | 0 | 0 | 112 | G689 L708 L716 L919 | G689-L712 WeakPolarHBondContact O-CD1 3.45Å; L708-L712 HydrophobicContact CD1-CD1 3.91Å; L708-L712 HydrophobicContact CD1-CG 3.99Å; L708-L712 HydrophobicContact CG-CD1 3.86Å; L708-L712 HydrophobicContact CG-CG 4.4Å; L708-L712 WeakPolarHBondContact O-CB 3.46Å; L708-L712 WeakPolarHBondContact O-CG 3.29Å; L708-L712 PolarHBondContact O-N 3.09Å; L712-L716 HydrophobicContact CD2-CD1 3.98Å; L712-L919 HydrophobicContact CD2-CD1 4.21Å |
| 713 | L | 58.4 | Low | 58 | Low | 62 Ų | 62 | 49.8 Ų | 49.8 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -78.5 | -32 | -175.4 | -69 | 166.1 | 0 | 0 | 0 | 113.3 | L243 K247 G709 H710 F711 | L243-L713 HydrophobicContact CD1-CB 4.03Å; L243-L713 HydrophobicContact CD2-CB 3.76Å; L243-L713 HydrophobicContact CD2-CD1 3.75Å; L243-L713 HydrophobicContact CD2-CD2 4.24Å; L243-L713 HydrophobicContact CD2-CG 4.12Å; L243-L713 HydrophobicContact CG-CB 3.83Å; L243-L713 HydrophobicContact CG-CD2 4.25Å; L243-L713 HydrophobicContact CG-CG 4.43Å; K247-L713 VanDerWaalsContact CD-O 3.22Å; K247-L713 WeakPolarHBondContact CD-O 3.43Å; G709-L713 VanDerWaalsContact O-CB 3.27Å; G709-L713 WeakPolarHBondContact O-CB 3.41Å; G709-L713 VanDerWaalsContact O-CD1 3.3Å; G709-L713 WeakPolarHBondContact O-CD1 3.25Å; G709-L713 WeakPolarHBondContact O-CG 3.48Å; G709-L713 PolarHBondContact O-N 3.16Å; H710-L713 PolarHBondContact O-N 3.05Å; F711-L713 VanDerWaalsContact C-N 3.35Å; F711-L713 PolarHBondContact O-N 3.43Å |
| 714 | Y | 53.6 | Low | 58 | Low | 50 Ų | 50 | 47.3 Ų | 47.3 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -104.8 | -21.5 | -174.9 | -69.7 | -96.5 | 0 | 0 | 0 | 115.1 | E241 L243 K247 H710 | E241-Y714 PolarHBondContact OE2-OH 2.89Å; L243-Y714 HydrophobicContact CD1-CD1 3.86Å; L243-Y714 HydrophobicContact CD1-CD2 3.77Å; L243-Y714 HydrophobicContact CD1-CE1 3.55Å; L243-Y714 HydrophobicContact CD1-CE2 3.49Å; L243-Y714 VanDerWaalsContact CD1-CE2 3.49Å; L243-Y714 HydrophobicContact CD1-CG 3.97Å; L243-Y714 HydrophobicContact CD2-CE2 3.84Å; L243-Y714 HydrophobicContact CG-CE2 4.32Å; K247-Y714 PolarHBondContact NZ-O 2.94Å; H710-Y714 HydrophobicContact CB-CD2 4.43Å; H710-Y714 AromaticContact CD2-CD2 3.84Å; H710-Y714 AromaticContact CD2-CE2 3.68Å; H710-Y714 AromaticContact CE1-CD2 3.42Å; H710-Y714 VanDerWaalsContact CE1-CD2 3.42Å; H710-Y714 WeakPolarHBondContact CE1-CD2 3.32Å; H710-Y714 AromaticContact CE1-CE2 3.82Å; H710-Y714 AromaticContact CE1-CG 3.6Å; H710-Y714 AromaticContact CG-CD2 3.65Å; H710-Y714 AromaticContact CG-CE2 3.94Å; H710-Y714 AromaticContact ND1-CD2 3.38Å; H710-Y714 WeakPolarHBondContact ND1-CD2 3.44Å; H710-Y714 AromaticContact ND1-CG 3.79Å; H710-Y714 AromaticContact NE2-CD2 3.72Å; H710-Y714 AromaticContact NE2-CE2 3.63Å; H710-Y714 VanDerWaalsContact O-CB 3.31Å; H710-Y714 WeakPolarHBondContact O-CB 3.18Å; H710-Y714 VanDerWaalsContact O-CD2 3.24Å; H710-Y714 WeakPolarHBondContact O-CD2 3.44Å; H710-Y714 PolarHBondContact O-N 3.13Å |
| 715 | H | 51.1 | Low | 57.8 | Low | 105 Ų | 105 | 48.3 Ų | 48.3 | 49% | 0.486 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -127.1 | -8.8 | -166.6 | -64.2 | -62.2 | 0 | 0 | 0 | 117.9 | F711 | F711-H715 HydrophobicContact CD1-CB 4.29Å; F711-H715 HydrophobicContact CD2-CB 4.12Å; F711-H715 AromaticContact CD2-CD2 3.84Å; F711-H715 HydrophobicContact CE1-CB 4.07Å; F711-H715 HydrophobicContact CE2-CB 3.9Å; F711-H715 HydrophobicContact CG-CB 4.31Å; F711-H715 HydrophobicContact CZ-CB 3.88Å; F711-H715 WeakPolarHBondContact O-CA 3.4Å; F711-H715 WeakPolarHBondContact O-CB 3.5Å; F711-H715 PolarHBondContact O-N 2.82Å |
| 716 | L | 54.7 | Low | 57.8 | Low | 15 Ų | 15 | 54.4 Ų | 54.4 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | trans | -115.7 | 129.3 | -174.5 | -71.9 | 165.9 | 0 | 0 | 0 | 114.2 | F711 L712 Q720 I721 L922 | F711-L716 HydrophobicContact CD1-CD1 3.65Å; F711-L716 HydrophobicContact CD1-CG 3.94Å; F711-L716 HydrophobicContact CE1-CD1 3.72Å; F711-L716 HydrophobicContact CE1-CD2 3.97Å; F711-L716 HydrophobicContact CE1-CG 3.64Å; L712-L716 HydrophobicContact CD2-CD1 3.98Å; L716-Q720 HydrophobicContact CD2-CB 4.25Å; L716-I721 HydrophobicContact CB-CD1 4.04Å; L716-I721 HydrophobicContact CB-CG1 4.21Å; L716-I721 HydrophobicContact CD1-CD1 4.16Å; L716-I721 HydrophobicContact CD1-CG1 4.09Å; L716-I721 HydrophobicContact CD2-CG1 4.01Å; L716-I721 HydrophobicContact CG-CG1 4.33Å; L716-L922 HydrophobicContact CD1-CD2 3.79Å; L716-L922 HydrophobicContact CD2-CD2 3.86Å; L716-L922 HydrophobicContact CG-CD2 4.4Å | ||
| 717 | T | 55.7 | Low | 57.8 | Low | 49 Ų | 49 | 50.6 Ų | 50.6 | 30% | 0.301 | 26% | 0.264 | S | S | . | . | trans | -92.9 | 155.1 | 160 | 62.7 | 0 | 0 | 0 | 0 | 110.5 | A719 Q720 I721 | T717-A719 PolarHBondContact O-N 3.18Å; T717-A719 VanDerWaalsContact O-N 3.16Å; T717-Q720 PolarHBondContact O-N 3.07Å; T717-Q720 VanDerWaalsContact O-N 3.1Å; T717-Q720 WeakPolarHBondContact OG1-CG 3.37Å; T717-Q720 PolarHBondContact OG1-OE1 2.87Å; T717-I721 PolarHBondContact O-N 3.49Å | ||
| 718 | P | 53.2 | Low | 57.8 | Low | 28 Ų | 28 | 50.1 Ų | 50.1 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.7 | -31.6 | 178.6 | -27.1 | 35.4 | 0 | 0 | 0 | 114.6 | L251 A685 A722 | L251-P718 HydrophobicContact CD2-CG 4.43Å; A685-P718 HydrophobicContact CB-CB 3.89Å; A685-P718 HydrophobicContact CB-CG 4.12Å; P718-A722 WeakPolarHBondContact O-CB 3.44Å; P718-A722 PolarHBondContact O-N 3.34Å; P718-A722 VanDerWaalsContact O-N 3.09Å |
| 719 | A | 57 | Low | 57.7 | Low | 68 Ų | 68 | 52.5 Ų | 52.5 | 56% | 0.562 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -72 | -33 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T717 K723 | T717-A719 PolarHBondContact O-N 3.18Å; T717-A719 VanDerWaalsContact O-N 3.16Å; A719-K723 PolarHBondContact O-N 3.4Å; A719-K723 VanDerWaalsContact O-N 3.15Å |
| 720 | Q | 59.1 | Low | 57.9 | Low | 69 Ų | 69 | 54.6 Ų | 54.6 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 176.1 | -74.6 | 164.3 | -61.1 | 0 | 0 | 111.6 | L716 T717 A724 | L716-Q720 HydrophobicContact CD2-CB 4.25Å; T717-Q720 PolarHBondContact O-N 3.07Å; T717-Q720 VanDerWaalsContact O-N 3.1Å; T717-Q720 WeakPolarHBondContact OG1-CG 3.37Å; T717-Q720 PolarHBondContact OG1-OE1 2.87Å; Q720-A724 VanDerWaalsContact O-CB 3.28Å; Q720-A724 WeakPolarHBondContact O-CB 3.29Å; Q720-A724 PolarHBondContact O-N 2.97Å |
| 721 | I | 55.2 | Low | 57.8 | Low | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.077 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -50 | 174 | -62.1 | 163.8 | 0 | 0 | 0 | 109.8 | A685 L716 T717 K723 A724 D725 | A685-I721 HydrophobicContact CB-CD1 3.64Å; L716-I721 HydrophobicContact CB-CD1 4.04Å; L716-I721 HydrophobicContact CB-CG1 4.21Å; L716-I721 HydrophobicContact CD1-CD1 4.16Å; L716-I721 HydrophobicContact CD1-CG1 4.09Å; L716-I721 HydrophobicContact CD2-CG1 4.01Å; L716-I721 HydrophobicContact CG-CG1 4.33Å; T717-I721 PolarHBondContact O-N 3.49Å; I721-K723 VanDerWaalsContact C-N 3.33Å; I721-K723 PolarHBondContact O-N 3.14Å; I721-A724 PolarHBondContact O-N 2.86Å; I721-D725 PolarHBondContact O-N 2.97Å |
| 722 | A | 55.4 | Low | 58 | Low | 20 Ų | 20 | 56.8 Ų | 56.8 | 17% | 0.165 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -51.3 | -49.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P681 P718 E726 | P681-A722 HydrophobicContact CB-CB 3.61Å; P681-A722 HydrophobicContact CG-CB 3.97Å; P718-A722 WeakPolarHBondContact O-CB 3.44Å; P718-A722 PolarHBondContact O-N 3.34Å; P718-A722 VanDerWaalsContact O-N 3.09Å; A722-E726 PolarHBondContact O-N 2.92Å |
| 723 | K | 61.2 | Low | 58.2 | Low | 123 Ų | 123 | 57.6 Ų | 57.6 | 54% | 0.535 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.1 | -40.6 | -179.1 | 173.8 | 170.2 | 171.4 | 169.4 | 0 | 112.4 | A719 I721 D725 E726 E727 | A719-K723 PolarHBondContact O-N 3.4Å; A719-K723 VanDerWaalsContact O-N 3.15Å; I721-K723 VanDerWaalsContact C-N 3.33Å; I721-K723 PolarHBondContact O-N 3.14Å; K723-D725 VanDerWaalsContact C-N 3.33Å; K723-D725 PolarHBondContact O-N 3.02Å; K723-E726 WeakPolarHBondContact O-CB 3.41Å; K723-E726 PolarHBondContact O-N 2.87Å; K723-E727 WeakPolarHBondContact CE-OE1 3.35Å; K723-E727 IonicContact NZ-OE1 2.72Å; K723-E727 PolarHBondContact NZ-OE1 2.69Å; K723-E727 PolarHBondContact O-N 3.48Å |
| 724 | A | 55.4 | Low | 58.6 | Low | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.4 | -29.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q720 I721 E727 V728 S921 | Q720-A724 VanDerWaalsContact O-CB 3.28Å; Q720-A724 WeakPolarHBondContact O-CB 3.29Å; Q720-A724 PolarHBondContact O-N 2.97Å; I721-A724 PolarHBondContact O-N 2.86Å; A724-E727 PolarHBondContact O-N 2.64Å; A724-V728 WeakPolarHBondContact O-CG2 3.23Å; A724-V728 PolarHBondContact O-N 2.88Å; A724-S921 WeakPolarHBondContact CB-O 3.42Å; A724-S921 WeakPolarHBondContact O-CB 3.45Å |
| 725 | D | 56.5 | Low | 58.9 | Low | 53 Ų | 53 | 60.3 Ų | 60.3 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69 | -32.9 | 170.1 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | H688 I721 K723 V728 A729 S921 | H688-D725 IonicContact CE1-OD1 2.86Å; H688-D725 IonicContact CE1-OD2 3.21Å; H688-D725 PolarHBondContact CE1-OD2 2.86Å; H688-D725 IonicContact ND1-OD2 2.78Å; H688-D725 PolarHBondContact ND1-OD2 2.81Å; I721-D725 PolarHBondContact O-N 2.97Å; K723-D725 VanDerWaalsContact C-N 3.33Å; K723-D725 PolarHBondContact O-N 3.02Å; D725-V728 PolarHBondContact O-N 2.98Å; D725-A729 WeakPolarHBondContact O-CB 3.25Å; D725-A729 PolarHBondContact O-N 2.88Å; D725-S921 WeakPolarHBondContact OD1-CB 3.47Å; D725-S921 PolarHBondContact OD1-OG 2.92Å |
| 726 | E | 62 | Low | 59 | Low | 129 Ų | 129 | 61.8 Ų | 61.8 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.9 | -41.4 | 171.7 | -175.1 | 175.5 | -141.1 | 0 | 0 | 111.7 | A722 K723 V728 A729 A730 | A722-E726 PolarHBondContact O-N 2.92Å; K723-E726 WeakPolarHBondContact O-CB 3.41Å; K723-E726 PolarHBondContact O-N 2.87Å; E726-V728 VanDerWaalsContact C-N 3.34Å; E726-V728 PolarHBondContact O-N 2.92Å; E726-A729 PolarHBondContact O-N 2.92Å; E726-A730 WeakPolarHBondContact O-CB 3.36Å; E726-A730 PolarHBondContact O-N 2.91Å |
| 727 | E | 61.8 | Low | 59 | Low | 57 Ų | 57 | 66.9 Ų | 66.9 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 173.9 | -71.5 | 176.5 | 167.3 | 0 | 0 | 111.9 | K723 A724 L731 | K723-E727 WeakPolarHBondContact CE-OE1 3.35Å; K723-E727 IonicContact NZ-OE1 2.72Å; K723-E727 PolarHBondContact NZ-OE1 2.69Å; K723-E727 PolarHBondContact O-N 3.48Å; A724-E727 PolarHBondContact O-N 2.64Å; E727-L731 PolarHBondContact O-N 3.35Å |
| 728 | V | 58.5 | Low | 58.7 | Low | 21 Ų | 21 | 70.7 Ų | 70.7 | 13% | 0.127 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.3 | -49.9 | 173.7 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | A724 D725 E726 A730 L731 E732 | A724-V728 WeakPolarHBondContact O-CG2 3.23Å; A724-V728 PolarHBondContact O-N 2.88Å; D725-V728 PolarHBondContact O-N 2.98Å; E726-V728 VanDerWaalsContact C-N 3.34Å; E726-V728 PolarHBondContact O-N 2.92Å; V728-A730 VanDerWaalsContact C-N 3.27Å; V728-A730 PolarHBondContact O-N 2.88Å; V728-L731 CarbonylContact O-C 3.51Å; V728-L731 WeakPolarHBondContact O-CA 3.43Å; V728-L731 VanDerWaalsContact O-CB 3.31Å; V728-L731 WeakPolarHBondContact O-CB 3.29Å; V728-L731 PolarHBondContact O-N 2.84Å; V728-E732 HydrophobicContact CG1-CG 4.22Å; V728-E732 PolarHBondContact O-N 3.34Å |
| 729 | A | 61.4 | Low | 58.2 | Low | 52 Ų | 52 | 70.9 Ų | 70.9 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.9 | -35.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D725 E726 L731 A733 | D725-A729 WeakPolarHBondContact O-CB 3.25Å; D725-A729 PolarHBondContact O-N 2.88Å; E726-A729 PolarHBondContact O-N 2.92Å; A729-L731 VanDerWaalsContact C-N 3.32Å; A729-A733 WeakPolarHBondContact O-CB 3.43Å; A729-A733 PolarHBondContact O-N 2.97Å |
| 730 | A | 67.3 | Low | 57.7 | Low | 57 Ų | 57 | 72.1 Ų | 72.1 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67 | -32.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E726 V728 S734 | E726-A730 WeakPolarHBondContact O-CB 3.36Å; E726-A730 PolarHBondContact O-N 2.91Å; V728-A730 VanDerWaalsContact C-N 3.27Å; V728-A730 PolarHBondContact O-N 2.88Å; A730-S734 VanDerWaalsContact O-CB 3.29Å; A730-S734 WeakPolarHBondContact O-CB 3.42Å; A730-S734 PolarHBondContact O-N 2.95Å; A730-S734 VanDerWaalsContact O-N 3.12Å; A730-S734 PolarHBondContact O-OG 2.87Å |
| 731 | L | 59 | Low | 56.9 | Low | 74 Ų | 74 | 76.7 Ų | 76.7 | 39% | 0.387 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.2 | -44.5 | 174.5 | -106.6 | 162.4 | 0 | 0 | 0 | 112.1 | E727 V728 A729 S734 I735 Y924 | E727-L731 PolarHBondContact O-N 3.35Å; V728-L731 CarbonylContact O-C 3.51Å; V728-L731 WeakPolarHBondContact O-CA 3.43Å; V728-L731 VanDerWaalsContact O-CB 3.31Å; V728-L731 WeakPolarHBondContact O-CB 3.29Å; V728-L731 PolarHBondContact O-N 2.84Å; A729-L731 VanDerWaalsContact C-N 3.32Å; L731-S734 CarbonylContact O-C 3.6Å; L731-S734 WeakPolarHBondContact O-CA 3.49Å; L731-S734 WeakPolarHBondContact O-CB 3.35Å; L731-S734 PolarHBondContact O-N 2.87Å; L731-S734 VanDerWaalsContact O-N 3.15Å; L731-I735 VanDerWaalsContact O-CG1 3.3Å; L731-I735 WeakPolarHBondContact O-CG1 3.4Å; L731-I735 PolarHBondContact O-N 2.83Å; L731-Y924 HydrophobicContact CD1-CD1 3.96Å; L731-Y924 HydrophobicContact CD1-CE1 3.96Å |
| 732 | E | 61 | Low | 55.9 | Low | 116 Ų | 116 | 86.1 Ų | 86.1 | 54% | 0.542 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.6 | -50.1 | 176.2 | -70.4 | 175.9 | 155.5 | 0 | 0 | 110.9 | V728 S734 I735 E736 | V728-E732 HydrophobicContact CG1-CG 4.22Å; V728-E732 PolarHBondContact O-N 3.34Å; E732-S734 PolarHBondContact O-N 2.83Å; E732-I735 PolarHBondContact O-N 3.36Å; E732-E736 PolarHBondContact O-N 3.18Å |
| 733 | A | 65.3 | Low | 54.9 | Low | 42 Ų | 42 | 92.4 Ų | 92.4 | 35% | 0.347 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.2 | -34.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A729 H737 | A729-A733 WeakPolarHBondContact O-CB 3.43Å; A729-A733 PolarHBondContact O-N 2.97Å; A733-H737 VanDerWaalsContact O-CB 3.29Å; A733-H737 WeakPolarHBondContact O-CB 3.37Å; A733-H737 PolarHBondContact O-N 2.87Å |
| 734 | S | 65.9 | Low | 53.5 | Low | 58 Ų | 58 | 97 Ų | 97 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.4 | -35.8 | 174.2 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | A730 L731 E732 Q738 | A730-S734 VanDerWaalsContact O-CB 3.29Å; A730-S734 WeakPolarHBondContact O-CB 3.42Å; A730-S734 PolarHBondContact O-N 2.95Å; A730-S734 VanDerWaalsContact O-N 3.12Å; A730-S734 PolarHBondContact O-OG 2.87Å; L731-S734 CarbonylContact O-C 3.6Å; L731-S734 WeakPolarHBondContact O-CA 3.49Å; L731-S734 WeakPolarHBondContact O-CB 3.35Å; L731-S734 PolarHBondContact O-N 2.87Å; L731-S734 VanDerWaalsContact O-N 3.15Å; E732-S734 PolarHBondContact O-N 2.83Å; S734-Q738 WeakPolarHBondContact O-CB 3.49Å; S734-Q738 WeakPolarHBondContact O-CG 3.19Å; S734-Q738 PolarHBondContact O-N 2.81Å; S734-Q738 VanDerWaalsContact O-N 3.08Å |
| 735 | I | 59.5 | Low | 52.6 | Low | 112 Ų | 112 | 101.7 Ų | 101.7 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.8 | -45.4 | 176.6 | -70.8 | 163.7 | 0 | 0 | 0 | 110.1 | L731 E732 H737 Q738 G739 | L731-I735 VanDerWaalsContact O-CG1 3.3Å; L731-I735 WeakPolarHBondContact O-CG1 3.4Å; L731-I735 PolarHBondContact O-N 2.83Å; E732-I735 PolarHBondContact O-N 3.36Å; I735-H737 PolarHBondContact O-N 3.09Å; I735-Q738 PolarHBondContact O-N 3.49Å; I735-Q738 VanDerWaalsContact O-N 3.13Å; I735-G739 PolarHBondContact O-N 2.82Å |
| 736 | E | 53.7 | Low | 51.5 | Low | 135 Ų | 135 | 104.8 Ų | 104.8 | 63% | 0.631 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -58.3 | -48.3 | 173.5 | -70.2 | -167.3 | 144 | 0 | 0 | 111.6 | E732 Q738 G739 V740 | E732-E736 PolarHBondContact O-N 3.18Å; E736-Q738 PolarHBondContact O-N 3.03Å; E736-G739 PolarHBondContact O-N 3.3Å; E736-V740 WeakPolarHBondContact O-CB 3.48Å; E736-V740 WeakPolarHBondContact O-CG2 3.25Å; E736-V740 PolarHBondContact O-N 3.49Å |
| 737 | H | 55.1 | Low | 50.2 | Low | 123 Ų | 123 | 103.9 Ų | 103.9 | 57% | 0.569 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.7 | -23.8 | 176.9 | -78.4 | -1.2 | 0 | 0 | 0 | 113.9 | A733 I735 K741 | A733-H737 VanDerWaalsContact O-CB 3.29Å; A733-H737 WeakPolarHBondContact O-CB 3.37Å; A733-H737 PolarHBondContact O-N 2.87Å; I735-H737 PolarHBondContact O-N 3.09Å; H737-K741 WeakPolarHBondContact O-CB 3.5Å; H737-K741 VanDerWaalsContact O-CD 3.28Å; H737-K741 WeakPolarHBondContact O-CD 3.48Å; H737-K741 WeakPolarHBondContact O-CG 3.47Å |
| 738 | Q | 49.5 | Very low | 48.9 | Very low | 128 Ų | 128 | 104.6 Ų | 104.6 | 60% | 0.598 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -85.6 | -36.6 | 172 | -74.3 | -174.9 | 50 | 0 | 0 | 112.8 | S734 I735 E736 K741 R742 | S734-Q738 WeakPolarHBondContact O-CB 3.49Å; S734-Q738 WeakPolarHBondContact O-CG 3.19Å; S734-Q738 PolarHBondContact O-N 2.81Å; S734-Q738 VanDerWaalsContact O-N 3.08Å; I735-Q738 PolarHBondContact O-N 3.49Å; I735-Q738 VanDerWaalsContact O-N 3.13Å; E736-Q738 PolarHBondContact O-N 3.03Å; Q738-K741 PolarHBondContact O-N 2.79Å; Q738-R742 PolarHBondContact O-N 3.19Å |
| 739 | G | 42.8 | Very low | 48 | Very low | 32 Ų | 32 | 107 Ų | 107 | 33% | 0.33 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.7 | -52.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I735 E736 K741 R742 L743 | I735-G739 PolarHBondContact O-N 2.82Å; E736-G739 PolarHBondContact O-N 3.3Å; G739-K741 PolarHBondContact O-N 3.26Å; G739-R742 PolarHBondContact O-N 2.75Å; G739-R742 VanDerWaalsContact O-N 3.07Å; G739-L743 WeakPolarHBondContact O-CB 3.17Å; G739-L743 PolarHBondContact O-N 3.09Å |
| 740 | V | 47.1 | Very low | 46.8 | Very low | 94 Ų | 94 | 107.8 Ų | 107.8 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.2 | -28.6 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 112.1 | E736 | E736-V740 WeakPolarHBondContact O-CB 3.48Å; E736-V740 WeakPolarHBondContact O-CG2 3.25Å; E736-V740 PolarHBondContact O-N 3.49Å |
| 741 | K | 40.9 | Very low | 45.2 | Very low | 166 Ų | 166 | 111.1 Ų | 111.1 | 72% | 0.722 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -84.4 | -20.9 | 174.7 | -72.8 | 176.3 | -173.2 | 168.1 | 0 | 114.4 | H737 Q738 G739 | H737-K741 WeakPolarHBondContact O-CB 3.5Å; H737-K741 VanDerWaalsContact O-CD 3.28Å; H737-K741 WeakPolarHBondContact O-CD 3.48Å; H737-K741 WeakPolarHBondContact O-CG 3.47Å; Q738-K741 PolarHBondContact O-N 2.79Å; G739-K741 PolarHBondContact O-N 3.26Å |
| 742 | R | 34 | Very low | 44.1 | Very low | 213 Ų | 213 | 112.7 Ų | 112.7 | 80% | 0.804 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -87.3 | -18.3 | 170.6 | -81.6 | -173.9 | 168.7 | -179.1 | -1.4 | 113.7 | Q738 G739 | Q738-R742 PolarHBondContact O-N 3.19Å; G739-R742 PolarHBondContact O-N 2.75Å; G739-R742 VanDerWaalsContact O-N 3.07Å |
| 743 | L | 35.9 | Very low | 42.9 | Very low | 151 Ų | 151 | 113.3 Ų | 113.3 | 79% | 0.791 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -102.5 | 26.9 | -178.7 | -68.4 | 169.1 | 0 | 0 | 0 | 114.3 | G739 | G739-L743 WeakPolarHBondContact O-CB 3.17Å; G739-L743 PolarHBondContact O-N 3.09Å |
| 744 | R | 31.9 | Very low | 41.6 | Very low | 220 Ų | 220 | 119.7 Ų | 119.7 | 83% | 0.83 | 64% | 0.635 | S | S | * | * | trans | -140.9 | 51.5 | 178 | -104.5 | -177.2 | -177.9 | -173 | 2.2 | 115.4 | ||||
| 745 | S | 34.6 | Very low | 40.2 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | trans | -148.2 | 80.5 | 169.6 | 62.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 746 | S | 34 | Very low | 39.2 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | trans | -70.1 | 134.1 | 178.9 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 747 | P | 34.7 | Very low | 38.4 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | trans | -79.8 | 147.4 | -167.8 | 31.1 | -36.7 | 0 | 0 | 0 | 113.6 | R787 | P747-R787 PolarHBondContact O-NH2 3.46Š| ||
| 748 | S | 36 | Very low | 37.8 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 50% | 0.497 | 66% | 0.661 | S | S | . | * | trans | -147.5 | 42.7 | -168.7 | -127.2 | 0 | 0 | 0 | 0 | 123.8 | R787 R788 | S748-R787 VanDerWaalsContact CA-NH1 3.31Å; S748-R787 PolarHBondContact OG-NH1 2.97Å; S748-R788 PolarHBondContact O-NH1 3.1Å; S748-R788 PolarHBondContact O-NH2 3.14Å; S748-R788 PolarHBondContact OG-NH2 2.91Å | ||
| 749 | Q | 38.2 | Very low | 37.3 | Very low | 71 Ų | 71 | 124 Ų | 124 | 33% | 0.332 | 67% | 0.672 | S | S | . | * | trans | 45.7 | 107.2 | 153.1 | -73.8 | -168.5 | 26.2 | 0 | 0 | 121.6 | R788 | Q749-R788 PolarHBondContact O-NH1 2.71Š| ||
| 750 | S | 36.8 | Very low | 37.2 | Very low | 70 Ų | 70 | 129 Ų | 129 | 49% | 0.49 | 69% | 0.691 | S | S | . | * | 83.5 | 138.1 | 105.6 | 80.6 | 0 | 0 | 0 | 0 | 123.9 | R786 | S750-R786 PolarHBondContact OG-NH2 3.27Š| |||
| 751 | N | 34.6 | Very low | 36.8 | Very low | 126 Ų | 126 | 130 Ų | 130 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | trans | 85.6 | 97.8 | 152.3 | -78.2 | 62.6 | 0 | 0 | 0 | 119.7 | ||||
| 752 | S | 35.6 | Very low | 36.7 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | 175 | 162.2 | 109.2 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 753 | D | 35.7 | Very low | 37 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 69% | 0.69 | 69% | 0.69 | S | S | * | * | cis | -163.3 | 179.3 | -38.9 | -88.4 | -45 | 0 | 0 | 0 | 106.1 | ||||
| 754 | Q | 37.7 | Very low | 37.3 | Very low | 176 Ų | 176 | 121.4 Ų | 121.4 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | 74.8 | 149.8 | 169.1 | -50 | -179.6 | 27 | 0 | 0 | 116.4 | ||||
| 755 | I | 36.8 | Very low | 37.6 | Very low | 127 Ų | 127 | 114.3 Ų | 114.3 | 65% | 0.651 | 69% | 0.689 | S | S | * | * | cis | -155.8 | 148.2 | -11.5 | -117.1 | 168.1 | 0 | 0 | 0 | 110.9 | ||||
| 756 | N | 37.1 | Very low | 37.8 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 67% | 0.668 | 69% | 0.69 | S | S | * | * | trans | 38.1 | 123.7 | 157.5 | -51.9 | 4.3 | 0 | 0 | 0 | 123.5 | ||||
| 757 | D | 36.6 | Very low | 38 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 78% | 0.781 | 69% | 0.69 | S | S | * | * | 29.7 | 158.2 | 107 | -49.5 | -45.1 | 0 | 0 | 0 | 121.9 | |||||
| 758 | P | 44.4 | Very low | 38.2 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 62% | 0.623 | 68% | 0.682 | S | S | * | * | cis | -143 | -166.5 | -42.5 | 42.6 | -24.9 | 0 | 0 | 0 | 113.7 | ||||
| 759 | D | 37.8 | Very low | 38.3 | Very low | 153 Ų | 153 | 119 Ų | 119 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | 66.7 | 125.3 | 150.7 | -59.5 | -23.5 | 0 | 0 | 0 | 123.7 | ||||
| 760 | D | 40.8 | Very low | 38.2 | Very low | 137 Ų | 137 | 122.6 Ų | 122.6 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | 120.2 | 134.7 | 119.9 | -134 | 7.4 | 0 | 0 | 0 | 122.6 | |||||
| 761 | N | 39.3 | Very low | 38.4 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | trans | 62.6 | 118.4 | 151.7 | -83.4 | -45.7 | 0 | 0 | 0 | 125.7 | ||||
| 762 | T | 38.6 | Very low | 38.5 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | 72.4 | 146.2 | 135.9 | 57.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 763 | S | 39.8 | Very low | 38.6 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | cis | -165.2 | 158.2 | -10.5 | 48.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 764 | S | 41.3 | Very low | 38.9 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | trans | 62.4 | 143.8 | 167.6 | 70.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 765 | G | 38.4 | Very low | 38.9 | Very low | 70 Ų | 70 | 123.7 Ų | 123.7 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | cis | -172.5 | 178.4 | -4.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 766 | S | 40.1 | Very low | 38.9 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | cis | -162.6 | 149.4 | 0.8 | -75.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 767 | H | 38.3 | Very low | 38.9 | Very low | 178 Ų | 178 | 123.1 Ų | 123.1 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | 41.3 | 141.1 | 151.6 | -74.9 | -90.5 | 0 | 0 | 0 | 122.6 | ||||
| 768 | S | 38.4 | Very low | 38.8 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | cis | 179 | 142 | -16.2 | 43.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 769 | N | 37.4 | Very low | 38.5 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 64.5 | 149.2 | 154.2 | -60.8 | 31.6 | 0 | 0 | 0 | 117 | ||||
| 770 | E | 37.5 | Very low | 38.3 | Very low | 148 Ų | 148 | 132 Ų | 132 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | cis | -161.3 | -179.6 | -7.6 | -114.9 | 175.3 | 101.9 | 0 | 0 | 106.9 | ||||
| 771 | I | 40 | Very low | 38 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | cis | -142.6 | -144.6 | 15.1 | -153.5 | 156.2 | 0 | 0 | 0 | 112.1 | ||||
| 772 | N | 37.4 | Very low | 37.9 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | -105.8 | 162.2 | -163.7 | -61.1 | -45.2 | 0 | 0 | 0 | 117 | ||||
| 773 | G | 37.6 | Very low | 37.8 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | 150.5 | 70.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 774 | H | 41.1 | Very low | 37.7 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | 47.9 | 131.6 | 91.2 | -70.6 | -56.9 | 0 | 0 | 0 | 115.7 | |||||
| 775 | N | 38.9 | Very low | 37.5 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | cis | -153.4 | 144.7 | -4.4 | -84.4 | -42.1 | 0 | 0 | 0 | 106.8 | ||||
| 776 | A | 35.8 | Very low | 37.4 | Very low | 85 Ų | 85 | 141.5 Ų | 141.5 | 70% | 0.702 | 69% | 0.688 | S | S | * | * | cis | 81.8 | 99.9 | 45.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 777 | I | 38.3 | Very low | 37.3 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 80% | 0.795 | 67% | 0.673 | S | S | * | * | trans | -173.7 | 116.9 | 153 | -100.6 | 149.3 | 0 | 0 | 0 | 107.6 | ||||
| 778 | R | 34.5 | Very low | 37.2 | Very low | 191 Ų | 191 | 141 Ų | 141 | 72% | 0.721 | 66% | 0.662 | S | S | * | * | 70.5 | 136.7 | 78 | -74.4 | 176.1 | 169.9 | 176.2 | 0.8 | 112.5 | |||||
| 779 | R | 37.3 | Very low | 37.2 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | cis | -173.6 | 142.9 | 21.8 | -123.3 | 164.6 | -171.3 | 166 | -1.6 | 112.5 | ||||
| 780 | R | 33.6 | Very low | 37.1 | Very low | 221 Ų | 221 | 142.8 Ų | 142.8 | 83% | 0.834 | 67% | 0.67 | S | S | * | * | trans | 61.3 | 165.3 | 140.3 | -78.7 | -179.6 | 179.4 | -178.4 | -0.6 | 117.8 | ||||
| 781 | A | 35.2 | Very low | 37 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | cis | 176.9 | 167.5 | -12.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 782 | R | 36.6 | Very low | 36.7 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 69% | 0.694 | 68% | 0.677 | S | S | * | * | cis | -174.4 | 142.4 | -8.9 | -109.1 | 171.7 | 168.6 | -175.6 | -0.6 | 109 | ||||
| 783 | R | 37.2 | Very low | 36.4 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 63% | 0.63 | 68% | 0.68 | S | S | * | * | trans | 69.8 | 160.8 | 139 | -69.3 | 175.5 | 173.7 | -174.9 | -2.9 | 117.8 | ||||
| 784 | R | 37.8 | Very low | 36.1 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | cis | -158.5 | 142.3 | 1.2 | -122.7 | 166.9 | -179 | -174.9 | -3.6 | 110.5 | ||||
| 785 | R | 36.4 | Very low | 35.5 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 52% | 0.517 | 69% | 0.687 | S | S | . | * | 58.2 | 147.9 | 110.9 | -74.8 | -172.2 | 176.9 | -178 | -4.8 | 117.3 | |||||
| 786 | R | 37 | Very low | 35.1 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 53% | 0.525 | 68% | 0.682 | S | S | . | * | cis | -159.3 | 150.4 | 4.4 | -108.6 | 169.3 | 174.1 | -177.1 | -9 | 106.5 | S750 | S750-R786 PolarHBondContact OG-NH2 3.27Š| ||
| 787 | R | 36.6 | Very low | 34.9 | Very low | 113 Ų | 113 | 144 Ų | 144 | 43% | 0.426 | 69% | 0.69 | S | S | . | * | 60.4 | 148.3 | 68.5 | -58.2 | 166 | 167.5 | -91.8 | -17.9 | 114.3 | P747 S748 | P747-R787 PolarHBondContact O-NH2 3.46Å; S748-R787 VanDerWaalsContact CA-NH1 3.31Å; S748-R787 PolarHBondContact OG-NH1 2.97Å | |||
| 788 | R | 36.2 | Very low | 34.4 | Very low | 159 Ų | 159 | 141 Ų | 141 | 60% | 0.6 | 68% | 0.682 | S | S | * | * | cis | -148 | -176 | 9.5 | -139.2 | -173 | -178.8 | 120.3 | 5.1 | 107 | S748 Q749 | S748-R788 PolarHBondContact O-NH1 3.1Å; S748-R788 PolarHBondContact O-NH2 3.14Å; S748-R788 PolarHBondContact OG-NH2 2.91Å; Q749-R788 PolarHBondContact O-NH1 2.71Å | ||
| 789 | V | 39.4 | Very low | 34.1 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | cis | -156.9 | -176.3 | 15.1 | 72.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 790 | D | 35 | Very low | 33.9 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | trans | -88.1 | 170.7 | -168.9 | -43.7 | -90.3 | 0 | 0 | 0 | 116 | ||||
| 791 | G | 35 | Very low | 33.9 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 68% | 0.681 | S | S | * | * | trans | -165 | 18.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 792 | T | 33.1 | Very low | 33.6 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | trans | 43.3 | 124.5 | 157.5 | 49 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 793 | V | 32.1 | Very low | 33.5 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | trans | 90.4 | 139.2 | 134.7 | 171.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 794 | S | 32.1 | Very low | 33.2 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | trans | 64.8 | 153 | 168.4 | 53.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 795 | E | 28.1 | Very low | 32.9 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | cis | -172.8 | 153.3 | -31.7 | -166.5 | 169.5 | -149.7 | 0 | 0 | 107.1 | ||||
| 796 | S | 29.2 | Very low | 32.5 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | trans | 71 | 140.4 | 167.4 | -52.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 797 | Q | 31.5 | Very low | 32.4 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | 64.3 | 157.2 | 151.2 | -67.6 | 164.3 | 30.4 | 0 | 0 | 118.3 | ||||
| 798 | S | 28.4 | Very low | 32 | Very low | 91 Ų | 91 | 131 Ų | 131 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -171.8 | 150.8 | -32.8 | 53.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 799 | S | 29.5 | Very low | 31.7 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | 60.6 | 168.3 | 178.2 | 84.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 800 | E | 33.1 | Very low | 31.5 | Very low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | cis | -149.2 | 148.7 | 2.1 | -140.6 | 137.9 | 163.1 | 0 | 0 | 110.7 | ||||
| 801 | H | 31.9 | Very low | 31.3 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 35 | 151.5 | 144.3 | -101.7 | -74.8 | 0 | 0 | 0 | 124.9 | ||||
| 802 | T | 29.6 | Very low | 31.4 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | 68 | 141.9 | 152.1 | 56.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 803 | D | 34.4 | Very low | 31.3 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | cis | -155.2 | -179.4 | -7.5 | -109.2 | -17.9 | 0 | 0 | 0 | 112.5 | ||||
| 804 | E | 30.4 | Very low | 31.6 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -40.6 | 146.1 | 174.5 | -48.1 | 176.3 | 126.2 | 0 | 0 | 116.2 | ||||
| 805 | C | 32.4 | Very low | 31.7 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | -168.3 | 128.4 | 126.1 | -101.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 806 | N | 27 | Very low | 32.4 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | trans | -83.5 | 130.8 | 161 | -98.1 | -35.7 | 0 | 0 | 0 | 109.4 | ||||
| 807 | S | 34.7 | Very low | 32.7 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -145.4 | 87.1 | 165.1 | 67.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 808 | S | 28.4 | Very low | 33.2 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 16.5 | 130.6 | 129.6 | -50.2 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 809 | V | 31.3 | Very low | 33.5 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | 68.8 | 113.6 | 140.4 | 179.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 810 | E | 34.7 | Very low | 33.9 | Very low | 183 Ų | 183 | 154.7 Ų | 154.7 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | -154.2 | 153.4 | 102.4 | -107.7 | -171.3 | -172.9 | 0 | 0 | 112 | |||||
| 811 | E | 30.7 | Very low | 34.1 | Very low | 168 Ų | 168 | 155.5 Ų | 155.5 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -84.8 | 142.2 | 176.3 | -57.6 | 171.2 | 127.8 | 0 | 0 | 110.3 | ||||
| 812 | V | 36.6 | Very low | 34.2 | Very low | 140 Ų | 140 | 155.9 Ų | 155.9 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -136.7 | 107.3 | 156.2 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 813 | N | 31.7 | Very low | 34.7 | Very low | 126 Ų | 126 | 160.2 Ų | 160.2 | 67% | 0.674 | 83% | 0.83 | S | S | * | * | trans | -62.8 | 149.3 | 173.7 | -65.6 | -57.1 | 0 | 0 | 0 | 111.5 | ||||
| 814 | K | 38.2 | Very low | 34.8 | Very low | 183 Ų | 183 | 161.7 Ų | 161.7 | 80% | 0.796 | 83% | 0.832 | S | S | * | * | trans | -158.5 | 92.9 | 153.1 | -117 | 168.5 | -173.4 | 176.9 | 0 | 111.5 | ||||
| 815 | D | 34.9 | Very low | 35.1 | Very low | 123 Ų | 123 | 157.2 Ų | 157.2 | 66% | 0.658 | 83% | 0.833 | S | S | * | * | 22.1 | 107.8 | 116.3 | -15.2 | -45.1 | 0 | 0 | 0 | 115.3 | |||||
| 816 | D | 41.9 | Very low | 35.2 | Very low | 170 Ų | 170 | 161.1 Ų | 161.1 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -134.8 | 121.5 | 140.4 | -89.6 | -46.8 | 0 | 0 | 0 | 105.5 | ||||
| 817 | E | 36.6 | Very low | 35.6 | Very low | 183 Ų | 183 | 159 Ų | 159 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | -97.7 | 130.7 | -175.3 | -61.5 | 171.5 | 135.3 | 0 | 0 | 109.5 | ||||
| 818 | E | 40.1 | Very low | 35.7 | Very low | 201 Ų | 201 | 161.1 Ų | 161.1 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | trans | -127.9 | 125.5 | 162.1 | -71.4 | -165.2 | 157.8 | 0 | 0 | 109.4 | ||||
| 819 | E | 34.9 | Very low | 35.9 | Very low | 180 Ų | 180 | 160.5 Ų | 160.5 | 84% | 0.841 | 83% | 0.825 | S | S | * | * | trans | -92.1 | 134 | -173.9 | -58.4 | 170.6 | 121.7 | 0 | 0 | 110.4 | ||||
| 820 | E | 38 | Very low | 36.4 | Very low | 200 Ų | 200 | 163.3 Ų | 163.3 | 94% | 0.935 | 83% | 0.829 | S | S | * | * | trans | -110.9 | 124.8 | 156 | -75.5 | -154.7 | 151.7 | 0 | 0 | 109 | ||||
| 821 | E | 38 | Very low | 36.7 | Very low | 178 Ų | 178 | 161.3 Ų | 161.3 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -88.2 | 128.4 | -171.2 | -61 | 179.6 | 116.1 | 0 | 0 | 112.6 | E823 | E821-E823 PolarHBondContact O-N 3.37Š| ||
| 822 | D | 34.7 | Very low | 37.4 | Very low | 165 Ų | 165 | 161.3 Ų | 161.3 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -75.6 | 100.7 | 170.4 | -86.1 | -51.1 | 0 | 0 | 0 | 111.4 | E824 | D822-E824 VanDerWaalsContact C-N 3.34Å; D822-E824 PolarHBondContact O-N 3Å | ||
| 823 | E | 39.3 | Very low | 37.6 | Very low | 198 Ų | 198 | 162.1 Ų | 162.1 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -72.7 | 80.1 | 168.7 | -84.7 | -153.4 | 138.9 | 0 | 0 | 112.5 | E821 G825 | E821-E823 PolarHBondContact O-N 3.37Å; E823-G825 PolarHBondContact O-N 2.69Å; E823-G825 VanDerWaalsContact O-N 3.09Å | ||
| 824 | E | 37.4 | Very low | 38.3 | Very low | 171 Ų | 171 | 163.9 Ų | 163.9 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | trans | -73 | 91.6 | 159.8 | -80.7 | -145.7 | 146.3 | 0 | 0 | 111 | D822 R826 | D822-E824 VanDerWaalsContact C-N 3.34Å; D822-E824 PolarHBondContact O-N 3Å; E824-R826 VanDerWaalsContact C-N 3.27Å; E824-R826 PolarHBondContact O-N 2.74Å | ||
| 825 | G | 35.9 | Very low | 38.4 | Very low | 82 Ų | 82 | 162.1 Ų | 162.1 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | -65.8 | 74.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E823 | E823-G825 PolarHBondContact O-N 2.69Å; E823-G825 VanDerWaalsContact O-N 3.09Å | ||
| 826 | R | 33.7 | Very low | 38.8 | Very low | 211 Ų | 211 | 165.6 Ų | 165.6 | 80% | 0.796 | 85% | 0.848 | S | S | * | * | trans | -90.1 | 113.7 | -179.5 | -172.4 | 176.4 | -177.4 | 177.3 | -0.5 | 111.4 | E824 | E824-R826 VanDerWaalsContact C-N 3.27Å; E824-R826 PolarHBondContact O-N 2.74Å | ||
| 827 | C | 35.5 | Very low | 38.8 | Very low | 126 Ų | 126 | 163.8 Ų | 163.8 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 155.4 | 164.7 | -75.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 828 | N | 36.8 | Very low | 39 | Very low | 153 Ų | 153 | 162.2 Ų | 162.2 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 156.2 | -158.5 | -63.4 | -33.7 | 0 | 0 | 0 | 115 | ||
| 829 | S | 33.3 | Very low | 39.2 | Very low | 96 Ų | 96 | 159 Ų | 159 | 67% | 0.671 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 132.6 | 158.8 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 830 | E | 41.7 | Very low | 39.6 | Very low | 192 Ų | 192 | 157.8 Ų | 157.8 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -127.8 | 128.3 | 147.8 | -68 | -174.7 | 144.1 | 0 | 0 | 105.5 | ||||
| 831 | D | 40.5 | Very low | 40 | Very low | 141 Ų | 141 | 155.4 Ų | 155.4 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | trans | -96.4 | 138.5 | -176.7 | -50 | -76.5 | 0 | 0 | 0 | 109.2 | ||||
| 832 | D | 45.9 | Very low | 40.4 | Very low | 169 Ų | 169 | 155.4 Ų | 155.4 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -150.1 | 103.8 | 165.2 | -92.1 | -39.8 | 0 | 0 | 0 | 107.9 | ||||
| 833 | D | 41.2 | Very low | 41 | Very low | 156 Ų | 156 | 155.3 Ų | 155.3 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -91.7 | 138.2 | 166.2 | -70.7 | -55.4 | 0 | 0 | 0 | 108.8 | ||||
| 834 | D | 45.6 | Very low | 41.2 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -163.5 | 126.7 | 149.3 | -109.7 | -24.3 | 0 | 0 | 0 | 110.3 | ||||
| 835 | D | 40.6 | Very low | 41.4 | Very low | 145 Ų | 145 | 148.4 Ų | 148.4 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -77.7 | 161.2 | 168.9 | -74.4 | -57 | 0 | 0 | 0 | 110.6 | ||||
| 836 | F | 43 | Very low | 41.7 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | 176 | 141.4 | 122.9 | -97.2 | -63.7 | 0 | 0 | 0 | 112.3 | |||||
| 837 | D | 42.7 | Very low | 41.9 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -73.9 | 161.1 | 177.3 | -43.7 | -91.1 | 0 | 0 | 0 | 112.9 | ||||
| 838 | N | 40.3 | Very low | 42 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 176.2 | 158.2 | 105.2 | -91.3 | -76.5 | 0 | 0 | 0 | 112.5 | |||||
| 839 | D | 43.3 | Very low | 42.2 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -69 | 168.1 | -175.9 | -52.4 | -66.4 | 0 | 0 | 0 | 115.5 | ||||
| 840 | D | 43.6 | Very low | 42.8 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | 172.1 | 95.1 | 123.4 | -87.8 | -12 | 0 | 0 | 0 | 113 | |||||
| 841 | D | 47.5 | Very low | 42.6 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 38.4 | 168.8 | 131.5 | -73.2 | -20.5 | 0 | 0 | 0 | 126.9 | ||||
| 842 | E | 46.1 | Very low | 42.4 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 74 | 145.2 | 162 | -69.5 | -162.8 | -163 | 0 | 0 | 121.7 | ||||
| 843 | E | 46.8 | Very low | 41.9 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | cis | -159.9 | 159.7 | -35.2 | -139.7 | -165.9 | -158.6 | 0 | 0 | 111.5 | ||||
| 844 | D | 44.2 | Very low | 42 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 49.3 | 148.2 | 147.9 | -122.2 | 36.2 | 0 | 0 | 0 | 125.2 | ||||
| 845 | G | 40.7 | Very low | 41.6 | Very low | 71 Ų | 71 | 144.8 Ų | 144.8 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 172.6 | 60.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 846 | S | 42.3 | Very low | 41.2 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -29.8 | 159.9 | 166.8 | 72.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 847 | S | 37.9 | Very low | 40.8 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | cis | -177 | -165.4 | -10.9 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 848 | A | 38.8 | Very low | 40.5 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 76.7 | 130.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 849 | V | 40.7 | Very low | 40.1 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | cis | 133 | 139.3 | -7.2 | 166.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 850 | P | 45.8 | Very low | 39.7 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -125.3 | 176.3 | -148.1 | 42.8 | -29.4 | 0 | 0 | 0 | 117.8 | ||||
| 851 | S | 36.9 | Very low | 39.4 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -162.2 | 160.5 | 167.7 | 70.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 852 | R | 37.2 | Very low | 38.9 | Very low | 231 Ų | 231 | 141 Ų | 141 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | cis | -154.8 | 130 | -15.7 | -103.3 | 159.6 | -171.5 | -168.4 | 3.6 | 105.2 | ||||
| 853 | R | 35.7 | Very low | 38.5 | Very low | 246 Ų | 246 | 137.7 Ų | 137.7 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | 61.7 | 148.3 | 89.8 | -83.4 | -150.5 | 171.7 | -161.8 | -0.9 | 117.8 | |||||
| 854 | P | 42.8 | Very low | 38.2 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | trans | -129.9 | 179.6 | -141.1 | 44.2 | -29.8 | 0 | 0 | 0 | 116.4 | ||||
| 855 | N | 35.8 | Very low | 37.9 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -175.2 | 121.7 | 149.8 | -98.7 | -34.7 | 0 | 0 | 0 | 110.1 | ||||
| 856 | T | 33.5 | Very low | 37.7 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 88.6 | 136.2 | 71.8 | 57.7 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 857 | R | 34.6 | Very low | 37.4 | Very low | 239 Ų | 239 | 137.3 Ų | 137.3 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | 104.9 | 143.4 | 145.5 | -138.4 | 174.6 | -166.3 | -176.7 | 2.9 | 121.5 | ||||
| 858 | S | 36 | Very low | 37.4 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | 64.6 | 86.7 | 152.8 | 46.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 859 | S | 33 | Very low | 37.3 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | 28.5 | 144 | 108.5 | 67.9 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 860 | Q | 34.8 | Very low | 37.1 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 97 | 154.1 | 153.7 | -59.1 | -168.9 | -8.5 | 0 | 0 | 120.2 | ||||
| 861 | T | 36.3 | Very low | 36.6 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | 68.7 | 151.5 | 163.3 | 71.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 862 | T | 36.1 | Very low | 36.5 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | cis | -166.6 | -179.4 | -31.4 | 33.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 863 | S | 38.4 | Very low | 36.4 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | 84.5 | 127.9 | 167.5 | 67.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 864 | V | 40.1 | Very low | 36.3 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | cis | 84.9 | 132.2 | 41.2 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 865 | G | 37.8 | Very low | 36 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | cis | 175.4 | -170.1 | 1.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 866 | A | 37.2 | Very low | 36 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | cis | -173.7 | 138.8 | -17.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 867 | Q | 36.4 | Very low | 36.2 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 64.7 | 161.4 | 146.6 | -70.5 | -179.9 | -43.9 | 0 | 0 | 124.2 | ||||
| 868 | S | 36.9 | Very low | 36.5 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 73.5 | 157 | 161.4 | 71.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 869 | D | 37.1 | Very low | 36.6 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | cis | -165.2 | 160.5 | -46.2 | -112.9 | -52.2 | 0 | 0 | 0 | 112.2 | ||||
| 870 | S | 36.4 | Very low | 36.8 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 26.9 | 143.7 | 157 | 68.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 871 | G | 35.4 | Very low | 37 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 147 | 92.1 | 141.7 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 872 | F | 34.3 | Very low | 37.1 | Very low | 201 Ų | 201 | 126.3 Ų | 126.3 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | 25.4 | 144 | 142.6 | -81.5 | -88.3 | 0 | 0 | 0 | 127.8 | ||||
| 873 | S | 35.5 | Very low | 37.3 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | 88.1 | 119.2 | 133.5 | 61.6 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 874 | E | 34.7 | Very low | 37.2 | Very low | 205 Ų | 205 | 123.5 Ų | 123.5 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | 14.3 | 147.7 | 147 | -54.9 | -167.1 | 141.4 | 0 | 0 | 126 | ||||
| 875 | G | 36.9 | Very low | 37 | Very low | 81 Ų | 81 | 127.4 Ų | 127.4 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -169.5 | 155.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 876 | R | 34.3 | Very low | 36.9 | Very low | 264 Ų | 264 | 129 Ų | 129 | 100% | 0.996 | 80% | 0.8 | S | S | * | * | trans | -125 | 156.7 | -170.5 | -65.6 | 177.3 | 172.8 | -179.8 | -2.8 | 114.9 | ||||
| 877 | G | 38.5 | Very low | 36.8 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 147.7 | 123 | 135.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 878 | S | 40.1 | Very low | 36.7 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 61.6 | 154.7 | 133.9 | -58.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 879 | N | 38.6 | Very low | 36.5 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | cis | -168.8 | 149 | -22.4 | -108.2 | -13.1 | 0 | 0 | 0 | 111.6 | ||||
| 880 | G | 37.5 | Very low | 36.1 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | 82.6 | 154.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 881 | G | 37.6 | Very low | 35.8 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | 166.1 | 152.1 | -11.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 882 | S | 39.8 | Very low | 35.6 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | 65.8 | 159.3 | 171.8 | -66.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 883 | S | 39.6 | Very low | 35.3 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | cis | -177.6 | 150.8 | -24 | -178.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 884 | G | 36 | Very low | 35 | Very low | 59 Ų | 59 | 126.1 Ų | 126.1 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | cis | 149.6 | 159.6 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 885 | R | 35.9 | Very low | 34.6 | Very low | 231 Ų | 231 | 121 Ų | 121 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | 69.5 | 154.7 | 168.1 | -66.5 | -174.7 | 165.8 | 157.3 | -2.5 | 116.7 | ||||
| 886 | N | 35.4 | Very low | 34.2 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 55% | 0.551 | 77% | 0.768 | S | S | * | * | cis | -163.9 | 154.5 | -4.3 | -116.6 | -0.3 | 0 | 0 | 0 | 112.6 | ||||
| 887 | H | 36.4 | Very low | 33.9 | Very low | 164 Ų | 164 | 118.1 Ų | 118.1 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 59 | 155 | 149.7 | -58.3 | -40 | 0 | 0 | 0 | 120.7 | ||||
| 888 | S | 33.1 | Very low | 33.4 | Very low | 91 Ų | 91 | 121 Ų | 121 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -169.9 | 175.9 | -24.8 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 889 | T | 33.2 | Very low | 33 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 66.9 | 115.6 | 155 | 48.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 890 | C | 28 | Very low | 32.7 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | 54.2 | 131.7 | 122.8 | -56.7 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 891 | S | 31.8 | Very low | 32.1 | Very low | 100 Ų | 100 | 120.4 Ų | 120.4 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | -161 | 159 | 26.1 | -74.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 892 | S | 29.9 | Very low | 31.8 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | 55.3 | 128.6 | 142 | 63.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 893 | N | 29.3 | Very low | 31.2 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 105.5 | 119.4 | 142.5 | -64.8 | -10.2 | 0 | 0 | 0 | 121 | ||||
| 894 | T | 28.6 | Very low | 30.7 | Very low | 132 Ų | 132 | 122.3 Ų | 122.3 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | 69.5 | 116 | 142.7 | 51.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 895 | A | 27.1 | Very low | 30.5 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 55.7 | 102.4 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 896 | S | 26.6 | Very low | 30.1 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | 173.7 | 127.2 | 90.7 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 897 | L | 28.6 | Very low | 29.9 | Very low | 176 Ų | 176 | 120.8 Ų | 120.8 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -138.5 | 115.3 | 166.4 | -77.7 | 175.8 | 0 | 0 | 0 | 109.7 | ||||
| 898 | T | 27.3 | Very low | 29.5 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -90.3 | 118.3 | 176.8 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 899 | P | 32.8 | Very low | 29.5 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -75.2 | 136.5 | 173.5 | 30.8 | -33.3 | 0 | 0 | 0 | 110.8 | ||||
| 900 | T | 32 | Very low | 29.5 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | trans | -90.5 | 113.4 | -178 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 901 | G | 26.2 | Very low | 30 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 84.7 | 46.5 | 132.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 902 | T | 29.8 | Very low | 30.2 | Very low | 145 Ų | 145 | 120 Ų | 120 | 89% | 0.89 | 72% | 0.723 | S | S | * | * | trans | -108.7 | 116.8 | 153 | 18 | 0 | 0 | 0 | 0 | 109.9 | A904 | T902-A904 PolarHBondContact O-N 2.84Š| ||
| 903 | V | 28.3 | Very low | 31 | Very low | 141 Ų | 141 | 119.8 Ų | 119.8 | 86% | 0.855 | 72% | 0.717 | S | S | * | * | trans | -81.8 | 100.8 | -177.9 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 904 | A | 28.3 | Very low | 31.9 | Very low | 71 Ų | 71 | 115 Ų | 115 | 59% | 0.587 | 69% | 0.691 | S | S | * | * | trans | -64 | 146.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T902 N906 | T902-A904 PolarHBondContact O-N 2.84Å; A904-N906 PolarHBondContact O-N 3.27Å | ||
| 905 | P | 31.7 | Very low | 32.9 | Very low | 114 Ų | 114 | 110.1 Ų | 110.1 | 74% | 0.74 | 66% | 0.66 | S | S | * | * | trans | -68 | 118.1 | 176.8 | 27.8 | -33.4 | 0 | 0 | 0 | 110.2 | I907 | P905-I907 VanDerWaalsContact C-N 3.34Å; P905-I907 PolarHBondContact O-N 3.48Å | ||
| 906 | N | 27 | Very low | 34.2 | Very low | 152 Ų | 152 | 107.6 Ų | 107.6 | 81% | 0.813 | 64% | 0.635 | S | S | * | * | trans | -67.5 | 88.6 | 174.7 | -78.3 | -44.2 | 0 | 0 | 0 | 110.7 | A904 R908 | A904-N906 PolarHBondContact O-N 3.27Å; N906-R908 PolarHBondContact O-N 2.68Å; N906-R908 VanDerWaalsContact O-N 3.12Å | ||
| 907 | I | 31.7 | Very low | 36 | Very low | 95 Ų | 95 | 109.8 Ų | 109.8 | 49% | 0.487 | 63% | 0.626 | S | S | . | * | trans | -65.4 | 109.5 | 168 | -58.1 | 177.5 | 0 | 0 | 0 | 107.2 | P905 | P905-I907 VanDerWaalsContact C-N 3.34Å; P905-I907 PolarHBondContact O-N 3.48Å | ||
| 908 | R | 29 | Very low | 37.5 | Very low | 226 Ų | 226 | 102 Ų | 102 | 85% | 0.853 | 59% | 0.585 | S | S | * | * | trans | -60.1 | 142.2 | 179.5 | -74.7 | -179.9 | 169.8 | 177.7 | -4.2 | 110.5 | N906 G910 | N906-R908 PolarHBondContact O-N 2.68Å; N906-R908 VanDerWaalsContact O-N 3.12Å; R908-G910 PolarHBondContact O-N 2.9Å | ||
| 909 | L | 33.4 | Very low | 39 | Very low | 108 Ų | 108 | 96 Ų | 96 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -54 | -14.1 | -176.4 | -110.3 | 67.2 | 0 | 0 | 0 | 116.1 | R911 Q912 | L909-R911 PolarHBondContact O-N 3.46Å; L909-Q912 PolarHBondContact O-N 3.32Å |
| 910 | G | 31.9 | Very low | 40 | Very low | 62 Ų | 62 | 92.9 Ų | 92.9 | 64% | 0.639 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -64.8 | -16.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R908 Q912 T913 | R908-G910 PolarHBondContact O-N 2.9Å; G910-Q912 VanDerWaalsContact C-N 3.31Å; G910-Q912 PolarHBondContact O-N 3.1Å; G910-T913 PolarHBondContact O-OG1 3.07Å |
| 911 | R | 38.8 | Very low | 40.9 | Very low | 107 Ų | 107 | 86.4 Ų | 86.4 | 40% | 0.404 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -84.9 | 3.7 | -180 | -71 | -173.3 | 177.7 | 153.2 | 1.1 | 115.3 | V703 L909 T913 D914 | V703-R911 VanDerWaalsContact CG1-CZ 3.42Å; L909-R911 PolarHBondContact O-N 3.46Å; R911-T913 PolarHBondContact O-N 2.77Å; R911-D914 WeakPolarHBondContact CA-OD2 3.17Å; R911-D914 PolarHBondContact O-N 3.23Å |
| 912 | Q | 36.9 | Very low | 41.9 | Very low | 72 Ų | 72 | 84.1 Ų | 84.1 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.3 | -25.4 | -174.1 | -158.1 | 165 | 6.6 | 0 | 0 | 112.2 | L909 G910 L923 | L909-Q912 PolarHBondContact O-N 3.32Å; G910-Q912 VanDerWaalsContact C-N 3.31Å; G910-Q912 PolarHBondContact O-N 3.1Å; Q912-L923 HydrophobicContact CG-CD1 3.87Å; Q912-L923 HydrophobicContact CG-CD2 3.79Å |
| 913 | T | 45.6 | Very low | 42.6 | Very low | 95 Ų | 95 | 80.4 Ų | 80.4 | 58% | 0.583 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -70.2 | -24.9 | 174.1 | 43.5 | 0 | 0 | 0 | 0 | 114.5 | G910 R911 T916 | G910-T913 PolarHBondContact O-OG1 3.07Å; R911-T913 PolarHBondContact O-N 2.77Å; T913-T916 VanDerWaalsContact C-OG1 3.23Å; T913-T916 WeakPolarHBondContact CA-OG1 3.44Å; T913-T916 PolarHBondContact O-OG1 3.43Å |
| 914 | D | 48 | Very low | 43.4 | Very low | 41 Ų | 41 | 80.7 Ų | 80.7 | 22% | 0.219 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -86.4 | -34.1 | -171.3 | -49.6 | -48.2 | 0 | 0 | 0 | 111 | E704 R911 T916 R917 Y918 | E704-D914 HydrophobicContact CG-CB 4.07Å; R911-D914 WeakPolarHBondContact CA-OD2 3.17Å; R911-D914 PolarHBondContact O-N 3.23Å; D914-T916 VanDerWaalsContact C-N 3.28Å; D914-T916 PolarHBondContact O-N 3.4Å; D914-R917 WeakPolarHBondContact O-CB 3.38Å; D914-R917 PolarHBondContact O-N 2.66Å; D914-R917 VanDerWaalsContact O-N 3.1Å; D914-Y918 WeakPolarHBondContact O-CD2 3.49Å |
| 915 | L | 50.7 | Low | 43.8 | Very low | 31 Ų | 31 | 79 Ų | 79 | 16% | 0.162 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 170.5 | -73 | 171.2 | 0 | 0 | 0 | 112 | T707 L708 R917 Y918 L919 | T707-L915 HydrophobicContact CG2-CD1 4.35Å; T707-L915 HydrophobicContact CG2-CD2 4.31Å; L708-L915 HydrophobicContact CB-CD2 4.27Å; L915-R917 PolarHBondContact O-N 3.26Å; L915-Y918 PolarHBondContact O-N 2.95Å; L915-Y918 VanDerWaalsContact O-N 3.13Å; L915-L919 PolarHBondContact O-N 3.2Å |
| 916 | T | 54.4 | Low | 44 | Very low | 43 Ų | 43 | 80.9 Ų | 80.9 | 26% | 0.264 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.4 | -17 | 175.8 | 26.5 | 0 | 0 | 0 | 0 | 114.6 | T913 D914 P920 L923 | T913-T916 VanDerWaalsContact C-OG1 3.23Å; T913-T916 WeakPolarHBondContact CA-OG1 3.44Å; T913-T916 PolarHBondContact O-OG1 3.43Å; D914-T916 VanDerWaalsContact C-N 3.28Å; D914-T916 PolarHBondContact O-N 3.4Å; T916-P920 WeakPolarHBondContact O-CA 3.4Å; T916-P920 WeakPolarHBondContact O-CG 3.24Å; T916-L923 HydrophobicContact CG2-CB 4.2Å; T916-L923 HydrophobicContact CG2-CD1 3.52Å; T916-L923 HydrophobicContact CG2-CG 3.75Å |
| 917 | R | 62.8 | Low | 44.4 | Very low | 155 Ų | 155 | 78.1 Ų | 78.1 | 59% | 0.585 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -73.8 | -31.1 | 173.8 | -166.5 | -177.2 | -60.8 | 170.1 | 4.9 | 112.2 | D914 L915 | D914-R917 WeakPolarHBondContact O-CB 3.38Å; D914-R917 PolarHBondContact O-N 2.66Å; D914-R917 VanDerWaalsContact O-N 3.1Å; L915-R917 PolarHBondContact O-N 3.26Å |
| 918 | Y | 60.5 | Low | 44.5 | Very low | 12 Ų | 12 | 76.2 Ų | 76.2 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -105.2 | -32.2 | -173.5 | -61.1 | -70.9 | 0 | 0 | 0 | 113.5 | R695 C696 D699 N701 E704 D914 L915 | R695-Y918 HydrophobicContact CB-CD1 3.82Å; R695-Y918 HydrophobicContact CB-CE1 4.04Å; C696-Y918 VanDerWaalsContact SG-CD1 3.53Å; C696-Y918 WeakPolarHBondContact SG-CD2 3.45Å; D699-Y918 HydrophobicContact CB-CE1 4.49Å; D699-Y918 WeakPolarHBondContact CB-OH 3.43Å; D699-Y918 WeakPolarHBondContact OD2-CE1 3.48Å; D699-Y918 VanDerWaalsContact OD2-CZ 3.27Å; D699-Y918 PolarHBondContact OD2-OH 2.87Å; N701-Y918 PolarHBondContact ND2-OH 2.76Å; E704-Y918 HydrophobicContact CB-CE2 4.46Å; D914-Y918 WeakPolarHBondContact O-CD2 3.49Å; L915-Y918 PolarHBondContact O-N 2.95Å; L915-Y918 VanDerWaalsContact O-N 3.13Å |
| 919 | L | 59.2 | Low | 44.6 | Very low | 5 Ų | 5 | 76.2 Ų | 76.2 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | trans | -138.1 | 84.3 | 170.9 | -64.7 | -179.7 | 0 | 0 | 0 | 109.8 | H688 A692 L708 L712 L915 S921 L922 | H688-L919 WeakPolarHBondContact CD2-CD2 3.46Å; H688-L919 WeakPolarHBondContact NE2-CD2 3.25Å; A692-L919 HydrophobicContact CB-CD2 3.61Å; A692-L919 HydrophobicContact CB-CG 3.91Å; L708-L919 HydrophobicContact CD1-CD1 3.4Å; L708-L919 HydrophobicContact CD1-CG 3.98Å; L712-L919 HydrophobicContact CD2-CD1 4.21Å; L915-L919 PolarHBondContact O-N 3.2Å; L919-S921 PolarHBondContact O-N 3.39Å; L919-S921 VanDerWaalsContact O-N 3.14Å; L919-L922 HydrophobicContact CB-CD1 3.82Å; L919-L922 HydrophobicContact CB-CD2 4.47Å; L919-L922 HydrophobicContact CB-CG 3.65Å; L919-L922 HydrophobicContact CD1-CD1 3.63Å; L919-L922 HydrophobicContact CD1-CD2 4.28Å; L919-L922 HydrophobicContact CD1-CG 4.02Å; L919-L922 HydrophobicContact CG-CD1 4.36Å; L919-L922 PolarHBondContact O-N 3.37Å | ||
| 920 | P | 53.9 | Low | 44.5 | Very low | 60 Ų | 60 | 77.2 Ų | 77.2 | 39% | 0.39 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -54.6 | -32.8 | 179.6 | -24.7 | 32.5 | 0 | 0 | 0 | 113.5 | T916 L922 | T916-P920 WeakPolarHBondContact O-CA 3.4Å; T916-P920 WeakPolarHBondContact O-CG 3.24Å; P920-L922 PolarHBondContact O-N 3.46Å |
| 921 | S | 50.5 | Low | 44.5 | Very low | 5 Ų | 5 | 79.1 Ų | 79.1 | 4% | 0.035 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -63 | -19.9 | -177.8 | 33 | 0 | 0 | 0 | 0 | 114.6 | A724 D725 L919 L923 | A724-S921 WeakPolarHBondContact CB-O 3.42Å; A724-S921 WeakPolarHBondContact O-CB 3.45Å; D725-S921 WeakPolarHBondContact OD1-CB 3.47Å; D725-S921 PolarHBondContact OD1-OG 2.92Å; L919-S921 PolarHBondContact O-N 3.39Å; L919-S921 VanDerWaalsContact O-N 3.14Å; S921-L923 PolarHBondContact O-N 2.76Å |
| 922 | L | 47.6 | Very low | 44.1 | Very low | 26 Ų | 26 | 78.3 Ų | 78.3 | 14% | 0.136 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -71.7 | -21 | -171.9 | -63.6 | -169.8 | 0 | 0 | 0 | 116.4 | F711 L716 L919 P920 | F711-L922 HydrophobicContact CD1-CD1 3.53Å; F711-L922 HydrophobicContact CD1-CD2 4.5Å; F711-L922 HydrophobicContact CE1-CD1 3.55Å; F711-L922 HydrophobicContact CE1-CD2 3.92Å; F711-L922 HydrophobicContact CE1-CG 4.23Å; F711-L922 HydrophobicContact CG-CD1 4.34Å; F711-L922 HydrophobicContact CZ-CD1 4.37Å; L716-L922 HydrophobicContact CD1-CD2 3.79Å; L716-L922 HydrophobicContact CD2-CD2 3.86Å; L716-L922 HydrophobicContact CG-CD2 4.4Å; L919-L922 HydrophobicContact CB-CD1 3.82Å; L919-L922 HydrophobicContact CB-CD2 4.47Å; L919-L922 HydrophobicContact CB-CG 3.65Å; L919-L922 HydrophobicContact CD1-CD1 3.63Å; L919-L922 HydrophobicContact CD1-CD2 4.28Å; L919-L922 HydrophobicContact CD1-CG 4.02Å; L919-L922 HydrophobicContact CG-CD1 4.36Å; L919-L922 PolarHBondContact O-N 3.37Å; P920-L922 PolarHBondContact O-N 3.46Å |
| 923 | L | 44.7 | Very low | 43.7 | Very low | 67 Ų | 67 | 79.2 Ų | 79.2 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -98.7 | -11.6 | -178.1 | -63.5 | -168.9 | 0 | 0 | 0 | 114.9 | Q912 T916 S921 | Q912-L923 HydrophobicContact CG-CD1 3.87Å; Q912-L923 HydrophobicContact CG-CD2 3.79Å; T916-L923 HydrophobicContact CG2-CB 4.2Å; T916-L923 HydrophobicContact CG2-CD1 3.52Å; T916-L923 HydrophobicContact CG2-CG 3.75Å; S921-L923 PolarHBondContact O-N 2.76Å |
| 924 | Y | 44.4 | Very low | 42.9 | Very low | 147 Ų | 147 | 81.2 Ų | 81.2 | 58% | 0.576 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -24.1 | -173.9 | -78.8 | -82.2 | 0 | 0 | 0 | 114.2 | L731 | L731-Y924 HydrophobicContact CD1-CD1 3.96Å; L731-Y924 HydrophobicContact CD1-CE1 3.96Å |
| 925 | S | 36.5 | Very low | 41.9 | Very low | 35 Ų | 35 | 83.4 Ų | 83.4 | 25% | 0.245 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -69.8 | 150.9 | 171.4 | 79.8 | 0 | 0 | 0 | 0 | 111.9 | H927 | S925-H927 PolarHBondContact O-N 3.22Š|
| 926 | N | 35.4 | Very low | 40.8 | Very low | 154 Ų | 154 | 87 Ų | 87 | 82% | 0.824 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 10.8 | -167.9 | -81.1 | -86.9 | 0 | 0 | 0 | 116.8 | A928 | N926-A928 VanDerWaalsContact C-N 3.28Å; N926-A928 PolarHBondContact O-N 2.97Å |
| 927 | H | 36.1 | Very low | 39.6 | Very low | 94 Ų | 94 | 90.5 Ų | 90.5 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.2 | -178.4 | -75.5 | -71.8 | 0 | 0 | 0 | 115.2 | S925 R929 L930 | S925-H927 PolarHBondContact O-N 3.22Å; H927-R929 PolarHBondContact O-N 2.82Å; H927-L930 PolarHBondContact O-N 2.88Å |
| 928 | A | 34.4 | Very low | 38.2 | Very low | 55 Ų | 55 | 88.5 Ų | 88.5 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.5 | -23.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N926 T932 | N926-A928 VanDerWaalsContact C-N 3.28Å; N926-A928 PolarHBondContact O-N 2.97Å; A928-T932 PolarHBondContact O-OG1 3.11Å |
| 929 | R | 30.9 | Very low | 36.7 | Very low | 227 Ų | 227 | 94.1 Ų | 94.1 | 86% | 0.857 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -80.9 | -8.1 | 176.2 | -71.7 | -172.6 | 174.8 | -170.7 | -0.8 | 115.4 | H927 | H927-R929 PolarHBondContact O-N 2.82Å |
| 930 | L | 31.3 | Very low | 35.5 | Very low | 129 Ų | 129 | 99.3 Ų | 99.3 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -98 | -22.7 | 176 | -89.8 | 162.2 | 0 | 0 | 0 | 113.4 | H927 S933 | H927-L930 PolarHBondContact O-N 2.88Å; L930-S933 PolarHBondContact O-OG 2.9Å |
| 931 | I | 32.6 | Very low | 34.3 | Very low | 101 Ų | 101 | 103.3 Ų | 103.3 | 52% | 0.518 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -87.5 | -14.8 | -178.7 | -59.5 | 176.2 | 0 | 0 | 0 | 111.5 | ||
| 932 | T | 30.3 | Very low | 33.5 | Very low | 90 Ų | 90 | 110.4 Ų | 110.4 | 55% | 0.552 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -95.1 | 2.3 | -174.2 | 38.4 | 0 | 0 | 0 | 0 | 115.1 | A928 | A928-T932 PolarHBondContact O-OG1 3.11Š|
| 933 | S | 27.5 | Very low | 32.8 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -90.2 | 1.6 | -173.9 | 59.8 | 0 | 0 | 0 | 0 | 115.7 | L930 | L930-S933 PolarHBondContact O-OG 2.9Š|
| 934 | V | 29 | Very low | 32.1 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 84% | 0.836 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -126.8 | 64.9 | 175.8 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 935 | S | 27.1 | Very low | 31.5 | Very low | 86 Ų | 86 | 123 Ų | 123 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -144.2 | 130.7 | 169.3 | -161.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 936 | S | 28.2 | Very low | 31.4 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | 10.3 | 106.5 | 166.5 | 58.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 937 | S | 28.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 131.1 | 148.1 | -172.3 | 0 | 0 | 0 | 0 | 109 | ||
| 938 | P | 33.7 | Very low | 31.5 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 156.7 | -176.5 | 32.3 | -35.4 | 0 | 0 | 0 | 113.1 | P940 | P938-P940 WeakPolarHBondContact O-CD 3.41Š|
| 939 | V | 29.1 | Very low | 31.5 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 136.2 | 178.1 | 179 | 0 | 0 | 0 | 0 | 111.4 | ||
| 940 | P | 34.3 | Very low | 31.7 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | trans | -108.7 | 143.4 | 149.2 | 5 | 16.3 | 0 | 0 | 0 | 111.2 | P938 | P938-P940 WeakPolarHBondContact O-CD 3.41Š| ||
| 941 | N | 29.2 | Very low | 31.8 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -70.6 | 146.7 | 176 | -61.6 | -64.2 | 0 | 0 | 0 | 111.9 | ||||
| 942 | L | 32.3 | Very low | 31.8 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | -176.5 | 127.3 | 106.6 | -114.8 | 90.5 | 0 | 0 | 0 | 113.8 | |||||
| 943 | H | 32.6 | Very low | 31.7 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | trans | 33.3 | 120.6 | 136.9 | -81.5 | -58.6 | 0 | 0 | 0 | 123.6 | ||||
| 944 | R | 31.1 | Very low | 31.9 | Very low | 232 Ų | 232 | 136.1 Ų | 136.1 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | 106.9 | 106.3 | 110.3 | -169.3 | 171.8 | -153.6 | -115.5 | 6.6 | 120.3 | |||||
| 945 | S | 32.1 | Very low | 31.8 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 101.6 | 145.3 | 132.4 | -166.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 946 | S | 33.2 | Very low | 31.9 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 75.8 | 105.1 | 154.1 | 11.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 947 | A | 34.9 | Very low | 31.9 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -88.6 | -153.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 948 | P | 40.1 | Very low | 32 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | cis | -144.1 | -173.1 | 5.9 | 41.6 | -20.3 | 0 | 0 | 0 | 117.8 | ||||
| 949 | S | 33.4 | Very low | 31.7 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 83.5 | 146.4 | 159.9 | -44.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 950 | R | 35.5 | Very low | 31.7 | Very low | 230 Ų | 230 | 142.5 Ų | 142.5 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | cis | -126.1 | 140.6 | 5.6 | -71.3 | -179.8 | 179.2 | -166.1 | -1.2 | 108.9 | ||||
| 951 | R | 33 | Very low | 31.5 | Very low | 211 Ų | 211 | 144.2 Ų | 144.2 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | 53.1 | 133.2 | 79.1 | -61 | -165 | 177.7 | -169.4 | 0.6 | 113.3 | |||||
| 952 | F | 32.4 | Very low | 31.6 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 74% | 0.737 | 77% | 0.771 | S | S | * | * | cis | -155.5 | -179 | 12.4 | -134.5 | -146.6 | 0 | 0 | 0 | 114 | ||||
| 953 | T | 29.4 | Very low | 31.5 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 64% | 0.638 | 76% | 0.759 | S | S | * | * | trans | -58.7 | 173.8 | 177.7 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 954 | T | 31 | Very low | 31.4 | Very low | 119 Ų | 119 | 139 Ų | 139 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | cis | -164.5 | 164.4 | 44.9 | -38.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 955 | L | 25.8 | Very low | 31.4 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | -72.1 | 162.2 | 174.8 | -45 | 87.1 | 0 | 0 | 0 | 112.1 | ||||
| 956 | T | 29.5 | Very low | 31.3 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | 176 | 144.7 | 103.8 | 38.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 957 | T | 29 | Very low | 31 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 61.6 | 122.2 | 144.2 | 54.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 958 | S | 29.4 | Very low | 30.6 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | 77.7 | 108.9 | 123.4 | -58.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 959 | A | 27.9 | Very low | 29.9 | Very low | 92 Ų | 92 | 148.6 Ų | 148.6 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -46.4 | 149.5 | 159 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 960 | R | 29.4 | Very low | 29.7 | Very low | 228 Ų | 228 | 153 Ų | 153 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | -161.5 | 125.7 | 122.2 | -97.8 | 153.2 | -173.4 | -176.8 | 1.2 | 107.6 | |||||
| 961 | I | 29.9 | Very low | 29.4 | Very low | 150 Ų | 150 | 146 Ų | 146 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | 51.3 | 108.6 | 96.9 | -57.8 | 175.2 | 0 | 0 | 0 | 112 | |||||
| 962 | D | 31 | Very low | 29.5 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | -157.1 | -172.7 | 116.1 | -133.3 | -54.9 | 0 | 0 | 0 | 112.1 | |||||
| 963 | S | 31.8 | Very low | 29.7 | Very low | 81 Ų | 81 | 138 Ų | 138 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | trans | -117.3 | 170.6 | -136.5 | 53.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 964 | N | 29.7 | Very low | 30.1 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 93.4 | 138.5 | 150.6 | -72.5 | -53.5 | 0 | 0 | 0 | 122.6 | ||||
| 965 | H | 31.6 | Very low | 30.3 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | trans | 58.2 | 97.7 | 159.9 | -61.8 | -17.9 | 0 | 0 | 0 | 119.6 | ||||
| 966 | S | 30 | Very low | 30.6 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 85% | 0.853 | 70% | 0.695 | S | S | * | * | -158 | 159.5 | 86.4 | -164.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 967 | R | 26.3 | Very low | 31.2 | Very low | 240 Ų | 240 | 128.7 Ų | 128.7 | 91% | 0.906 | 67% | 0.674 | S | S | * | * | trans | -81.7 | 142.5 | 168.7 | -59.4 | 170.8 | 177.6 | 167.5 | -3 | 108.8 | ||||
| 968 | R | 26.3 | Very low | 31.5 | Very low | 224 Ų | 224 | 125.9 Ų | 125.9 | 85% | 0.845 | 66% | 0.659 | S | S | * | * | trans | 156.4 | 129.5 | 134.5 | -174.7 | 166.9 | -153.7 | 167.9 | 6.1 | 113.7 | ||||
| 969 | C | 25.5 | Very low | 31.6 | Very low | 86 Ų | 86 | 122.6 Ų | 122.6 | 58% | 0.581 | 64% | 0.64 | S | S | * | * | trans | 64.9 | 69.3 | 159.1 | -65.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 970 | E | 29 | Very low | 31.9 | Very low | 196 Ų | 196 | 124 Ų | 124 | 92% | 0.916 | 63% | 0.628 | S | S | * | * | trans | -123.8 | 65.3 | 150.1 | -72.3 | -172 | 161.1 | 0 | 0 | 110.1 | ||||
| 971 | T | 29.2 | Very low | 32.4 | Very low | 81 Ų | 81 | 119.6 Ų | 119.6 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | trans | -142 | 67 | -177.6 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | K285 | K285-T971 PolarHBondContact NZ-O 3.3Š| ||
| 972 | V | 35.8 | Very low | 32.7 | Very low | 79 Ų | 79 | 114.3 Ų | 114.3 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -118.9 | -48.2 | -171.9 | -168.3 | 0 | 0 | 0 | 0 | 112.9 | Q279 | Q279-V972 HydrophobicContact CG-CG1 4.48Š|
| 973 | D | 36 | Very low | 32.9 | Very low | 133 Ų | 133 | 111.5 Ų | 111.5 | 71% | 0.711 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -15 | -171 | -53.7 | -56 | 0 | 0 | 0 | 115.2 | H975 | D973-H975 VanDerWaalsContact C-N 3.27Å; D973-H975 PolarHBondContact O-N 2.95Å; D973-H975 VanDerWaalsContact O-N 3.16Å |
| 974 | S | 37.5 | Very low | 33.3 | Very low | 65 Ų | 65 | 111.3 Ų | 111.3 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.3 | -15.1 | -170.4 | 54.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 975 | H | 35 | Very low | 34 | Very low | 60 Ų | 60 | 109.3 Ų | 109.3 | 28% | 0.278 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -96.6 | -27.7 | -171.7 | -70.3 | -66.8 | 0 | 0 | 0 | 115 | D973 S978 | D973-H975 VanDerWaalsContact C-N 3.27Å; D973-H975 PolarHBondContact O-N 2.95Å; D973-H975 VanDerWaalsContact O-N 3.16Å; H975-S978 WeakPolarHBondContact O-CB 3.36Å |
| 976 | F | 33.3 | Very low | 34.3 | Very low | 110 Ų | 110 | 104.1 Ų | 104.1 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -78.5 | -36 | 169.8 | -100.9 | -86.8 | 0 | 0 | 0 | 111.8 | A275 I288 S978 A979 | A275-F976 HydrophobicContact CB-CE1 3.89Å; A275-F976 HydrophobicContact CB-CE2 3.62Å; A275-F976 HydrophobicContact CB-CZ 3.25Å; I288-F976 HydrophobicContact CD1-CE2 4.06Å; F976-S978 PolarHBondContact O-N 2.68Å; F976-A979 PolarHBondContact O-N 3.38Å |
| 977 | D | 41.9 | Very low | 34.8 | Very low | 61 Ų | 61 | 101.9 Ų | 101.9 | 33% | 0.326 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -54 | -34.7 | 168.4 | -158.5 | 10.8 | 0 | 0 | 0 | 110.9 | A979 R981 | D977-A979 PolarHBondContact O-N 2.79Å; D977-R981 WeakPolarHBondContact O-CA 3.44Å; D977-R981 WeakPolarHBondContact O-CB 3.41Å; D977-R981 VanDerWaalsContact O-CG 3.23Å; D977-R981 WeakPolarHBondContact O-CG 3.39Å; D977-R981 PolarHBondContact O-N 2.8Å; D977-R981 WeakPolarHBondContact OD1-CD 3.42Å; D977-R981 WeakPolarHBondContact OD1-CG 3.31Å; D977-R981 IonicContact OD1-CZ 2.63Å; D977-R981 IonicContact OD1-NE 3.37Å; D977-R981 PolarHBondContact OD1-NE 3.23Å; D977-R981 IonicContact OD1-NH2 3.43Å; D977-R981 IonicContact OD2-CZ 2.71Å; D977-R981 IonicContact OD2-NE 3.78Å; D977-R981 PolarHBondContact OD2-NE 3.09Å; D977-R981 IonicContact OD2-NH2 2.7Å; D977-R981 PolarHBondContact OD2-NH2 3.28Å |
| 978 | S | 35.3 | Very low | 35.2 | Very low | 62 Ų | 62 | 99.3 Ų | 99.3 | 43% | 0.434 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 179 | -172 | 0 | 0 | 0 | 0 | 115.3 | H975 F976 G982 | H975-S978 WeakPolarHBondContact O-CB 3.36Å; F976-S978 PolarHBondContact O-N 2.68Å; S978-G982 PolarHBondContact O-N 3.31Å |
| 979 | A | 31.4 | Very low | 36.1 | Very low | 48 Ų | 48 | 91.9 Ų | 91.9 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -79.6 | -41.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F976 D977 G982 L983 | F976-A979 PolarHBondContact O-N 3.38Å; D977-A979 PolarHBondContact O-N 2.79Å; A979-G982 PolarHBondContact O-N 3.16Å; A979-L983 PolarHBondContact O-N 2.77Å |
| 980 | F | 33.3 | Very low | 36.9 | Very low | 120 Ų | 120 | 91 Ų | 91 | 53% | 0.526 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75 | -34.6 | 177.9 | -133.6 | -94.3 | 0 | 0 | 0 | 112 | G982 L983 L984 | F980-G982 VanDerWaalsContact C-N 3.33Å; F980-L983 PolarHBondContact O-N 3.21Å; F980-L984 HydrophobicContact CD1-CD1 3.98Å; F980-L984 HydrophobicContact CD1-CG 4.45Å; F980-L984 WeakPolarHBondContact O-CG 3.45Å; F980-L984 PolarHBondContact O-N 2.73Å |
| 981 | R | 39.6 | Very low | 37.8 | Very low | 136 Ų | 136 | 84.8 Ų | 84.8 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 164.6 | -73.4 | -172.8 | -166.3 | -153.1 | 17.7 | 112.1 | D977 L983 L984 S985 | D977-R981 WeakPolarHBondContact O-CA 3.44Å; D977-R981 WeakPolarHBondContact O-CB 3.41Å; D977-R981 VanDerWaalsContact O-CG 3.23Å; D977-R981 WeakPolarHBondContact O-CG 3.39Å; D977-R981 PolarHBondContact O-N 2.8Å; D977-R981 WeakPolarHBondContact OD1-CD 3.42Å; D977-R981 WeakPolarHBondContact OD1-CG 3.31Å; D977-R981 IonicContact OD1-CZ 2.63Å; D977-R981 IonicContact OD1-NE 3.37Å; D977-R981 PolarHBondContact OD1-NE 3.23Å; D977-R981 IonicContact OD1-NH2 3.43Å; D977-R981 IonicContact OD2-CZ 2.71Å; D977-R981 IonicContact OD2-NE 3.78Å; D977-R981 PolarHBondContact OD2-NE 3.09Å; D977-R981 IonicContact OD2-NH2 2.7Å; D977-R981 PolarHBondContact OD2-NH2 3.28Å; R981-L983 PolarHBondContact O-N 2.79Å; R981-L984 CarbonylContact O-C 3.44Å; R981-L984 PolarHBondContact O-N 2.98Å; R981-S985 WeakPolarHBondContact O-CA 3.38Å; R981-S985 WeakPolarHBondContact O-CB 3.22Å; R981-S985 PolarHBondContact O-N 2.76Å; R981-S985 PolarHBondContact O-OG 3.32Å |
| 982 | G | 36.9 | Very low | 38.7 | Very low | 40 Ų | 40 | 82.5 Ų | 82.5 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -53.9 | -40.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S978 A979 F980 | S978-G982 PolarHBondContact O-N 3.31Å; A979-G982 PolarHBondContact O-N 3.16Å; F980-G982 VanDerWaalsContact C-N 3.33Å |
| 983 | L | 35.7 | Very low | 39.3 | Very low | 87 Ų | 87 | 83.5 Ų | 83.5 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.1 | -39.1 | 173.4 | -73.7 | 161.3 | 0 | 0 | 0 | 113.2 | A979 F980 R981 M986 F994 | A979-L983 PolarHBondContact O-N 2.77Å; F980-L983 PolarHBondContact O-N 3.21Å; R981-L983 PolarHBondContact O-N 2.79Å; L983-M986 WeakPolarHBondContact O-CG 3.3Å; L983-F994 HydrophobicContact CD2-CZ 4.46Å |
| 984 | L | 39.4 | Very low | 39.6 | Very low | 76 Ų | 76 | 82 Ų | 82 | 40% | 0.398 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -81.8 | -20.8 | -178.2 | -67.4 | 172.5 | 0 | 0 | 0 | 114.5 | F980 R981 R991 | F980-L984 HydrophobicContact CD1-CD1 3.98Å; F980-L984 HydrophobicContact CD1-CG 4.45Å; F980-L984 WeakPolarHBondContact O-CG 3.45Å; F980-L984 PolarHBondContact O-N 2.73Å; R981-L984 CarbonylContact O-C 3.44Å; R981-L984 PolarHBondContact O-N 2.98Å; L984-R991 PolarHBondContact O-NH1 2.88Å |
| 985 | S | 44 | Very low | 40.2 | Very low | 91 Ų | 91 | 82.9 Ų | 82.9 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 8.5 | 176.9 | 82.2 | 0 | 0 | 0 | 0 | 112.9 | R981 S987 | R981-S985 WeakPolarHBondContact O-CA 3.38Å; R981-S985 WeakPolarHBondContact O-CB 3.22Å; R981-S985 PolarHBondContact O-N 2.76Å; R981-S985 PolarHBondContact O-OG 3.32Å; S985-S987 PolarHBondContact O-N 3.04Å; S985-S987 VanDerWaalsContact O-N 3.16Å |
| 986 | M | 39.3 | Very low | 40.9 | Very low | 70 Ų | 70 | 82.1 Ų | 82.1 | 35% | 0.345 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -51 | 120.6 | 159.4 | -72.2 | -114.3 | 72.8 | 0 | 0 | 108 | L983 H990 R991 | L983-M986 WeakPolarHBondContact O-CG 3.3Å; M986-H990 HydrophobicContact CE-CB 3.54Å; M986-H990 HydrophobicContact SD-CB 3.91Å; M986-R991 HydrophobicContact CB-CB 3.86Å; M986-R991 WeakPolarHBondContact O-CB 3.21Å |
| 987 | S | 41 | Very low | 41.4 | Very low | 75 Ų | 75 | 79.9 Ų | 79.9 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 164.9 | 173.5 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | S985 P989 H990 R991 | S985-S987 PolarHBondContact O-N 3.04Å; S985-S987 VanDerWaalsContact O-N 3.16Å; S987-P989 CarbonylContact O-C 3.56Å; S987-H990 PolarHBondContact O-N 2.81Å; S987-R991 PolarHBondContact O-N 2.88Å |
| 988 | Y | 33.4 | Very low | 41.3 | Very low | 186 Ų | 186 | 81.2 Ų | 81.2 | 73% | 0.729 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 142.2 | 156.5 | -104.8 | -100.2 | 0 | 0 | 0 | 108.8 | A992 | Y988-A992 HydrophobicContact CD1-CB 4.34Å; Y988-A992 HydrophobicContact CE1-CB 3.7Å |
| 989 | P | 45 | Very low | 41.8 | Very low | 67 Ų | 67 | 82 Ų | 82 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -82.5 | -22.2 | 1.9 | 34.1 | -36 | 0 | 0 | 0 | 114.8 | S987 R991 A992 E993 | S987-P989 CarbonylContact O-C 3.56Å; P989-R991 VanDerWaalsContact C-N 3.29Å; P989-R991 PolarHBondContact O-N 2.94Å; P989-A992 WeakPolarHBondContact O-CA 3.3Å; P989-A992 WeakPolarHBondContact O-CB 3.18Å; P989-A992 PolarHBondContact O-N 3.24Å; P989-E993 WeakPolarHBondContact CB-OE1 3.46Å; P989-E993 WeakPolarHBondContact CG-OE1 3.41Å; P989-E993 PolarHBondContact O-N 3.21Å; P989-E993 VanDerWaalsContact O-N 3.15Å |
| 990 | H | 43.2 | Very low | 42.5 | Very low | 67 Ų | 67 | 83.9 Ų | 83.9 | 31% | 0.31 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -54.7 | -33 | -167.7 | -58.3 | -40.5 | 0 | 0 | 0 | 116.1 | M986 S987 A992 E993 F994 | M986-H990 HydrophobicContact CE-CB 3.54Å; M986-H990 HydrophobicContact SD-CB 3.91Å; S987-H990 PolarHBondContact O-N 2.81Å; H990-A992 VanDerWaalsContact C-N 3.31Å; H990-A992 PolarHBondContact O-N 2.85Å; H990-E993 WeakPolarHBondContact CA-OE2 3.26Å; H990-E993 IonicContact CE1-OE2 3.22Å; H990-E993 IonicContact CG-OE2 3.63Å; H990-E993 IonicContact ND1-OE1 2.81Å; H990-E993 IonicContact ND1-OE2 2.78Å; H990-E993 PolarHBondContact ND1-OE2 2.69Å; H990-E993 PolarHBondContact O-N 3.37Å; H990-F994 WeakPolarHBondContact O-CB 3.27Å; H990-F994 PolarHBondContact O-N 2.87Å |
| 991 | R | 47.6 | Very low | 42.8 | Very low | 66 Ų | 66 | 80.9 Ų | 80.9 | 25% | 0.249 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 172.9 | 179.5 | 170.1 | 167.3 | 169.3 | -5 | 112.8 | N232 L984 M986 S987 P989 L995 | N232-R991 PolarHBondContact OD1-NH2 3.34Å; L984-R991 PolarHBondContact O-NH1 2.88Å; M986-R991 HydrophobicContact CB-CB 3.86Å; M986-R991 WeakPolarHBondContact O-CB 3.21Å; S987-R991 PolarHBondContact O-N 2.88Å; P989-R991 VanDerWaalsContact C-N 3.29Å; P989-R991 PolarHBondContact O-N 2.94Å; R991-L995 HydrophobicContact CG-CD1 4.17Å; R991-L995 WeakPolarHBondContact O-CB 3.47Å; R991-L995 WeakPolarHBondContact O-CD1 3.34Å; R991-L995 VanDerWaalsContact O-CG 3.24Å; R991-L995 WeakPolarHBondContact O-CG 3.39Å; R991-L995 PolarHBondContact O-N 3.21Å |
| 992 | A | 49 | Very low | 42.8 | Very low | 33 Ų | 33 | 78.1 Ų | 78.1 | 27% | 0.273 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.8 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y988 P989 H990 L995 A996 | Y988-A992 HydrophobicContact CD1-CB 4.34Å; Y988-A992 HydrophobicContact CE1-CB 3.7Å; P989-A992 WeakPolarHBondContact O-CA 3.3Å; P989-A992 WeakPolarHBondContact O-CB 3.18Å; P989-A992 PolarHBondContact O-N 3.24Å; H990-A992 VanDerWaalsContact C-N 3.31Å; H990-A992 PolarHBondContact O-N 2.85Å; A992-L995 PolarHBondContact O-N 3.33Å; A992-A996 VanDerWaalsContact O-CB 3.26Å; A992-A996 WeakPolarHBondContact O-CB 3.36Å; A992-A996 PolarHBondContact O-N 2.96Å |
| 993 | E | 47.3 | Very low | 43.3 | Very low | 101 Ų | 101 | 80.9 Ų | 80.9 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 174.5 | -65.3 | 164 | -177.1 | 0 | 0 | 111.6 | P989 H990 A996 A997 | P989-E993 WeakPolarHBondContact CB-OE1 3.46Å; P989-E993 WeakPolarHBondContact CG-OE1 3.41Å; P989-E993 PolarHBondContact O-N 3.21Å; P989-E993 VanDerWaalsContact O-N 3.15Å; H990-E993 WeakPolarHBondContact CA-OE2 3.26Å; H990-E993 IonicContact CE1-OE2 3.22Å; H990-E993 IonicContact CG-OE2 3.63Å; H990-E993 IonicContact ND1-OE1 2.81Å; H990-E993 IonicContact ND1-OE2 2.78Å; H990-E993 PolarHBondContact ND1-OE2 2.69Å; H990-E993 PolarHBondContact O-N 3.37Å; E993-A996 PolarHBondContact O-N 3.23Å; E993-A997 VanDerWaalsContact O-CB 3.3Å; E993-A997 WeakPolarHBondContact O-CB 3.45Å; E993-A997 PolarHBondContact O-N 3.02Å |
| 994 | F | 43.1 | Very low | 43.6 | Very low | 102 Ų | 102 | 80.5 Ų | 80.5 | 45% | 0.447 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.6 | 177.6 | -95 | 0 | 0 | 0 | 112.2 | L983 H990 A997 M998 | L983-F994 HydrophobicContact CD2-CZ 4.46Å; H990-F994 WeakPolarHBondContact O-CB 3.27Å; H990-F994 PolarHBondContact O-N 2.87Å; F994-A997 PolarHBondContact O-N 2.83Å; F994-M998 HydrophobicContact CE1-SD 4.27Å; F994-M998 WeakPolarHBondContact O-CB 3.15Å; F994-M998 PolarHBondContact O-N 2.86Å |
| 995 | L | 49 | Very low | 43.5 | Very low | 82 Ų | 82 | 82.5 Ų | 82.5 | 43% | 0.429 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67 | -37.9 | 177.6 | -73.1 | 171.2 | 0 | 0 | 0 | 112 | R991 A992 M998 D999 | R991-L995 HydrophobicContact CG-CD1 4.17Å; R991-L995 WeakPolarHBondContact O-CB 3.47Å; R991-L995 WeakPolarHBondContact O-CD1 3.34Å; R991-L995 VanDerWaalsContact O-CG 3.24Å; R991-L995 WeakPolarHBondContact O-CG 3.39Å; R991-L995 PolarHBondContact O-N 3.21Å; A992-L995 PolarHBondContact O-N 3.33Å; L995-M998 HydrophobicContact CD2-CE 4.16Å; L995-M998 PolarHBondContact O-N 3.34Å; L995-D999 VanDerWaalsContact O-CB 3.25Å; L995-D999 WeakPolarHBondContact O-CB 3.46Å; L995-D999 PolarHBondContact O-N 2.81Å |
| 996 | A | 50 | Low | 43.2 | Very low | 45 Ų | 45 | 79 Ų | 79 | 37% | 0.372 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | A992 E993 M998 D999 D1000 | A992-A996 VanDerWaalsContact O-CB 3.26Å; A992-A996 WeakPolarHBondContact O-CB 3.36Å; A992-A996 PolarHBondContact O-N 2.96Å; E993-A996 PolarHBondContact O-N 3.23Å; A996-M998 VanDerWaalsContact C-N 3.28Å; A996-M998 PolarHBondContact O-N 3.17Å; A996-D999 PolarHBondContact O-N 3.49Å; A996-D1000 WeakPolarHBondContact O-CB 3.3Å; A996-D1000 PolarHBondContact O-N 3.25Å |
| 997 | A | 43.3 | Very low | 43.1 | Very low | 62 Ų | 62 | 77.1 Ų | 77.1 | 51% | 0.512 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.4 | -33.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E993 F994 A1001 | E993-A997 VanDerWaalsContact O-CB 3.3Å; E993-A997 WeakPolarHBondContact O-CB 3.45Å; E993-A997 PolarHBondContact O-N 3.02Å; F994-A997 PolarHBondContact O-N 2.83Å; A997-A1001 WeakPolarHBondContact O-CB 3.26Å; A997-A1001 PolarHBondContact O-N 3.09Å |
| 998 | M | 40.7 | Very low | 42.9 | Very low | 89 Ų | 89 | 77.8 Ų | 77.8 | 44% | 0.438 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -74.1 | -38.8 | 174.2 | -167.5 | 178.3 | 73.2 | 0 | 0 | 112.1 | F994 L995 A996 A1001 L1002 | F994-M998 HydrophobicContact CE1-SD 4.27Å; F994-M998 WeakPolarHBondContact O-CB 3.15Å; F994-M998 PolarHBondContact O-N 2.86Å; L995-M998 HydrophobicContact CD2-CE 4.16Å; L995-M998 PolarHBondContact O-N 3.34Å; A996-M998 VanDerWaalsContact C-N 3.28Å; A996-M998 PolarHBondContact O-N 3.17Å; M998-A1001 PolarHBondContact O-N 3.03Å; M998-L1002 HydrophobicContact CG-CD1 4.41Å; M998-L1002 WeakPolarHBondContact O-CB 3.26Å; M998-L1002 WeakPolarHBondContact O-CD1 3.41Å; M998-L1002 WeakPolarHBondContact O-CG 3.44Å; M998-L1002 PolarHBondContact O-N 3.17Å |
| 999 | D | 45 | Very low | 43.1 | Very low | 80 Ų | 80 | 74.9 Ų | 74.9 | 43% | 0.428 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 173.9 | -175.3 | 46.5 | 0 | 0 | 0 | 111.4 | L995 A996 L1002 K1003 | L995-D999 VanDerWaalsContact O-CB 3.25Å; L995-D999 WeakPolarHBondContact O-CB 3.46Å; L995-D999 PolarHBondContact O-N 2.81Å; A996-D999 PolarHBondContact O-N 3.49Å; D999-L1002 CarbonylContact O-C 3.57Å; D999-L1002 PolarHBondContact O-N 2.93Å; D999-K1003 VanDerWaalsContact CG-CE 3.48Å; D999-K1003 VanDerWaalsContact O-CG 3.28Å; D999-K1003 WeakPolarHBondContact O-CG 3.39Å; D999-K1003 PolarHBondContact O-N 2.88Å; D999-K1003 WeakPolarHBondContact OD2-CE 3.32Å; D999-K1003 IonicContact OD2-NZ 3.43Å; D999-K1003 PolarHBondContact OD2-NZ 3.45Å |
| 1000 | D | 46.1 | Very low | 42.8 | Very low | 87 Ų | 87 | 76.1 Ų | 76.1 | 47% | 0.465 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.8 | -34.3 | 175.1 | -71.1 | -17.5 | 0 | 0 | 0 | 112.5 | A996 K1003 A1004 | A996-D1000 WeakPolarHBondContact O-CB 3.3Å; A996-D1000 PolarHBondContact O-N 3.25Å; D1000-K1003 PolarHBondContact O-N 3.37Å; D1000-K1003 IonicContact OD1-NZ 2.74Å; D1000-K1003 PolarHBondContact OD1-NZ 2.84Å; D1000-A1004 VanDerWaalsContact O-CB 3.27Å; D1000-A1004 WeakPolarHBondContact O-CB 3.35Å; D1000-A1004 PolarHBondContact O-N 2.74Å |
| 1001 | A | 39.6 | Very low | 42.4 | Very low | 57 Ų | 57 | 75.8 Ų | 75.8 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A997 M998 A1004 Y1005 | A997-A1001 WeakPolarHBondContact O-CB 3.26Å; A997-A1001 PolarHBondContact O-N 3.09Å; M998-A1001 PolarHBondContact O-N 3.03Å; A1001-A1004 PolarHBondContact O-N 3.24Å; A1001-Y1005 VanDerWaalsContact O-CB 3.3Å; A1001-Y1005 WeakPolarHBondContact O-CB 3.42Å; A1001-Y1005 PolarHBondContact O-N 2.98Å |
| 1002 | L | 40.8 | Very low | 42.1 | Very low | 78 Ų | 78 | 76 Ų | 76 | 41% | 0.408 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 173.3 | -76.1 | 166.1 | 0 | 0 | 0 | 111.5 | M998 D999 Y1005 A1006 | M998-L1002 HydrophobicContact CG-CD1 4.41Å; M998-L1002 WeakPolarHBondContact O-CB 3.26Å; M998-L1002 WeakPolarHBondContact O-CD1 3.41Å; M998-L1002 WeakPolarHBondContact O-CG 3.44Å; M998-L1002 PolarHBondContact O-N 3.17Å; D999-L1002 CarbonylContact O-C 3.57Å; D999-L1002 PolarHBondContact O-N 2.93Å; L1002-Y1005 PolarHBondContact O-N 2.76Å; L1002-A1006 WeakPolarHBondContact O-CA 3.28Å; L1002-A1006 WeakPolarHBondContact O-CB 3.12Å; L1002-A1006 PolarHBondContact O-N 2.86Å |
| 1003 | K | 46.1 | Very low | 41.6 | Very low | 98 Ų | 98 | 82.3 Ų | 82.3 | 43% | 0.426 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 172.9 | -70.2 | 166.7 | -159.1 | 150.2 | 0 | 112.6 | D999 D1000 Y1005 G1007 | D999-K1003 VanDerWaalsContact CG-CE 3.48Å; D999-K1003 VanDerWaalsContact O-CG 3.28Å; D999-K1003 WeakPolarHBondContact O-CG 3.39Å; D999-K1003 PolarHBondContact O-N 2.88Å; D999-K1003 WeakPolarHBondContact OD2-CE 3.32Å; D999-K1003 IonicContact OD2-NZ 3.43Å; D999-K1003 PolarHBondContact OD2-NZ 3.45Å; D1000-K1003 PolarHBondContact O-N 3.37Å; D1000-K1003 IonicContact OD1-NZ 2.74Å; D1000-K1003 PolarHBondContact OD1-NZ 2.84Å; K1003-Y1005 VanDerWaalsContact C-N 3.35Å; K1003-G1007 VanDerWaalsContact O-CA 3.22Å; K1003-G1007 WeakPolarHBondContact O-CA 3.31Å; K1003-G1007 PolarHBondContact O-N 3.02Å |
| 1004 | A | 43.7 | Very low | 41.2 | Very low | 78 Ų | 78 | 83.2 Ų | 83.2 | 65% | 0.645 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68 | -36.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1000 A1001 | D1000-A1004 VanDerWaalsContact O-CB 3.27Å; D1000-A1004 WeakPolarHBondContact O-CB 3.35Å; D1000-A1004 PolarHBondContact O-N 2.74Å; A1001-A1004 PolarHBondContact O-N 3.24Å |
| 1005 | Y | 36.8 | Very low | 41.2 | Very low | 119 Ų | 119 | 83 Ų | 83 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -80.5 | -39.5 | 178.2 | -166.3 | -92.8 | 0 | 0 | 0 | 113 | A1001 L1002 K1003 | A1001-Y1005 VanDerWaalsContact O-CB 3.3Å; A1001-Y1005 WeakPolarHBondContact O-CB 3.42Å; A1001-Y1005 PolarHBondContact O-N 2.98Å; L1002-Y1005 PolarHBondContact O-N 2.76Å; K1003-Y1005 VanDerWaalsContact C-N 3.35Å |
| 1006 | A | 37.7 | Very low | 40.6 | Very low | 18 Ų | 18 | 83.9 Ų | 83.9 | 15% | 0.149 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -95.3 | -14 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | L1002 L1009 L1010 | L1002-A1006 WeakPolarHBondContact O-CA 3.28Å; L1002-A1006 WeakPolarHBondContact O-CB 3.12Å; L1002-A1006 PolarHBondContact O-N 2.86Å; A1006-L1009 CarbonylContact O-C 3.59Å; A1006-L1009 VanDerWaalsContact O-C 3.26Å; A1006-L1009 VanDerWaalsContact O-CA 3.26Å; A1006-L1009 WeakPolarHBondContact O-CA 3.36Å; A1006-L1009 WeakPolarHBondContact O-CB 3.48Å; A1006-L1009 PolarHBondContact O-N 3.02Å; A1006-L1010 HydrophobicContact CB-CD1 3.93Å; A1006-L1010 HydrophobicContact CB-CG 4.2Å; A1006-L1010 WeakPolarHBondContact O-CB 3.5Å; A1006-L1010 VanDerWaalsContact O-CG 3.22Å; A1006-L1010 WeakPolarHBondContact O-CG 3.09Å; A1006-L1010 PolarHBondContact O-N 2.93Å |
| 1007 | G | 35.9 | Very low | 40 | Very low | 29 Ų | 29 | 87.1 Ų | 87.1 | 30% | 0.299 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -51.1 | -50.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1003 L1009 L1010 | K1003-G1007 VanDerWaalsContact O-CA 3.22Å; K1003-G1007 WeakPolarHBondContact O-CA 3.31Å; K1003-G1007 PolarHBondContact O-N 3.02Å; G1007-L1009 PolarHBondContact O-N 3.35Å; G1007-L1009 VanDerWaalsContact O-N 3.13Å; G1007-L1010 PolarHBondContact O-N 3.43Å; G1007-L1010 VanDerWaalsContact O-N 3.14Å |
| 1008 | P | 38.7 | Very low | 39.7 | Very low | 90 Ų | 90 | 89 Ų | 89 | 58% | 0.584 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.4 | -10.6 | 173 | -21.9 | 34.5 | 0 | 0 | 0 | 115.2 | ||
| 1009 | L | 36.5 | Very low | 39.5 | Very low | 125 Ų | 125 | 88 Ų | 88 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -108.4 | -2.1 | 177.9 | -58.6 | 173.3 | 0 | 0 | 0 | 112.8 | A1006 G1007 | A1006-L1009 CarbonylContact O-C 3.59Å; A1006-L1009 VanDerWaalsContact O-C 3.26Å; A1006-L1009 VanDerWaalsContact O-CA 3.26Å; A1006-L1009 WeakPolarHBondContact O-CA 3.36Å; A1006-L1009 WeakPolarHBondContact O-CB 3.48Å; A1006-L1009 PolarHBondContact O-N 3.02Å; G1007-L1009 PolarHBondContact O-N 3.35Å; G1007-L1009 VanDerWaalsContact O-N 3.13Å |
| 1010 | L | 38 | Very low | 39 | Very low | 92 Ų | 92 | 88.7 Ų | 88.7 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -104 | -20.7 | -177.4 | -80 | 167.2 | 0 | 0 | 0 | 112.7 | A1006 G1007 T1012 | A1006-L1010 HydrophobicContact CB-CD1 3.93Å; A1006-L1010 HydrophobicContact CB-CG 4.2Å; A1006-L1010 WeakPolarHBondContact O-CB 3.5Å; A1006-L1010 VanDerWaalsContact O-CG 3.22Å; A1006-L1010 WeakPolarHBondContact O-CG 3.09Å; A1006-L1010 PolarHBondContact O-N 2.93Å; G1007-L1010 PolarHBondContact O-N 3.43Å; G1007-L1010 VanDerWaalsContact O-N 3.14Å; L1010-T1012 PolarHBondContact O-N 3.15Å |
| 1011 | L | 35.3 | Very low | 38.4 | Very low | 61 Ų | 61 | 88.4 Ų | 88.4 | 32% | 0.319 | 50% | 0.501 | S | S | . | . | trans | -62.1 | 124.7 | 173.7 | -61.1 | 169.5 | 0 | 0 | 0 | 110.1 | E1015 Q1016 A1019 | L1011-E1015 WeakPolarHBondContact CA-OE2 3.35Å; L1011-E1015 HydrophobicContact CB-CB 4.01Å; L1011-E1015 HydrophobicContact CD2-CB 3.8Å; L1011-Q1016 HydrophobicContact CB-CG 3.48Å; L1011-Q1016 VanDerWaalsContact CB-CG 3.48Å; L1011-Q1016 HydrophobicContact CD1-CG 4.03Å; L1011-Q1016 HydrophobicContact CG-CG 4.42Å; L1011-Q1016 PolarHBondContact O-NE2 2.88Å; L1011-A1019 HydrophobicContact CD1-CB 4.15Å | ||
| 1012 | T | 41.9 | Very low | 38.3 | Very low | 70 Ų | 70 | 91.3 Ų | 91.3 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | trans | -61.4 | 167.7 | 166.2 | 69.1 | 0 | 0 | 0 | 0 | 111 | L1010 D1014 E1015 Q1016 | L1010-T1012 PolarHBondContact O-N 3.15Å; T1012-D1014 PolarHBondContact O-N 3.26Å; T1012-D1014 PolarHBondContact OG1-N 3.44Å; T1012-E1015 PolarHBondContact N-OE2 3.19Å; T1012-E1015 PolarHBondContact O-N 2.9Å; T1012-E1015 VanDerWaalsContact O-N 3.11Å; T1012-E1015 WeakPolarHBondContact OG1-CG 3.47Å; T1012-E1015 PolarHBondContact OG1-N 2.85Å; T1012-E1015 VanDerWaalsContact OG1-N 3.14Å; T1012-Q1016 WeakPolarHBondContact O-CG 3.42Å; T1012-Q1016 PolarHBondContact O-N 2.89Å | ||
| 1013 | E | 37.9 | Very low | 38.2 | Very low | 166 Ų | 166 | 95.5 Ų | 95.5 | 78% | 0.776 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.6 | -37.3 | 175.8 | -62.5 | -172.3 | 147.3 | 0 | 0 | 111.3 | Q1016 I1017 | E1013-Q1016 PolarHBondContact O-N 2.85Å; E1013-I1017 WeakPolarHBondContact O-CD1 3.4Å; E1013-I1017 WeakPolarHBondContact O-CG1 3.49Å; E1013-I1017 PolarHBondContact O-N 3.22Å |
| 1014 | D | 40 | Very low | 37.8 | Very low | 120 Ų | 120 | 98.8 Ų | 98.8 | 64% | 0.642 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 173 | -50.7 | -65.8 | 0 | 0 | 0 | 112.5 | T1012 Q1016 I1017 V1018 | T1012-D1014 PolarHBondContact O-N 3.26Å; T1012-D1014 PolarHBondContact OG1-N 3.44Å; D1014-Q1016 VanDerWaalsContact C-N 3.32Å; D1014-Q1016 PolarHBondContact O-N 3.46Å; D1014-I1017 WeakPolarHBondContact O-CB 3.36Å; D1014-I1017 PolarHBondContact O-N 2.95Å; D1014-I1017 VanDerWaalsContact O-N 3.16Å; D1014-V1018 PolarHBondContact O-N 2.78Å; D1014-V1018 VanDerWaalsContact O-N 3.08Å |
| 1015 | E | 41.9 | Very low | 37.3 | Very low | 97 Ų | 97 | 103.5 Ų | 103.5 | 45% | 0.453 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.5 | -28.2 | -179.9 | -69.2 | 177.9 | 148 | 0 | 0 | 112.4 | L1011 T1012 V1018 A1019 | L1011-E1015 WeakPolarHBondContact CA-OE2 3.35Å; L1011-E1015 HydrophobicContact CB-CB 4.01Å; L1011-E1015 HydrophobicContact CD2-CB 3.8Å; T1012-E1015 PolarHBondContact N-OE2 3.19Å; T1012-E1015 PolarHBondContact O-N 2.9Å; T1012-E1015 VanDerWaalsContact O-N 3.11Å; T1012-E1015 WeakPolarHBondContact OG1-CG 3.47Å; T1012-E1015 PolarHBondContact OG1-N 2.85Å; T1012-E1015 VanDerWaalsContact OG1-N 3.14Å; E1015-V1018 PolarHBondContact O-N 3.26Å; E1015-A1019 VanDerWaalsContact O-CB 3.23Å; E1015-A1019 WeakPolarHBondContact O-CB 3.3Å; E1015-A1019 PolarHBondContact O-N 3.29Å |
| 1016 | Q | 36.7 | Very low | 37.1 | Very low | 100 Ų | 100 | 108.4 Ų | 108.4 | 47% | 0.467 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68 | -35 | 171 | -69.6 | -179 | 40.7 | 0 | 0 | 112 | L1011 T1012 E1013 D1014 S1020 | L1011-Q1016 HydrophobicContact CB-CG 3.48Å; L1011-Q1016 VanDerWaalsContact CB-CG 3.48Å; L1011-Q1016 HydrophobicContact CD1-CG 4.03Å; L1011-Q1016 HydrophobicContact CG-CG 4.42Å; L1011-Q1016 PolarHBondContact O-NE2 2.88Å; T1012-Q1016 WeakPolarHBondContact O-CG 3.42Å; T1012-Q1016 PolarHBondContact O-N 2.89Å; E1013-Q1016 PolarHBondContact O-N 2.85Å; D1014-Q1016 VanDerWaalsContact C-N 3.32Å; D1014-Q1016 PolarHBondContact O-N 3.46Å; Q1016-S1020 WeakPolarHBondContact O-CB 3.34Å; Q1016-S1020 PolarHBondContact O-N 3.24Å; Q1016-S1020 VanDerWaalsContact O-N 3.14Å; Q1016-S1020 PolarHBondContact O-OG 2.71Å |
| 1017 | I | 38.1 | Very low | 36.8 | Very low | 113 Ų | 113 | 115.2 Ų | 115.2 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.7 | -42.4 | 174.4 | -66.9 | 162.8 | 0 | 0 | 0 | 110.5 | E1013 D1014 S1020 N1021 | E1013-I1017 WeakPolarHBondContact O-CD1 3.4Å; E1013-I1017 WeakPolarHBondContact O-CG1 3.49Å; E1013-I1017 PolarHBondContact O-N 3.22Å; D1014-I1017 WeakPolarHBondContact O-CB 3.36Å; D1014-I1017 PolarHBondContact O-N 2.95Å; D1014-I1017 VanDerWaalsContact O-N 3.16Å; I1017-S1020 PolarHBondContact O-OG 2.81Å; I1017-N1021 PolarHBondContact O-N 2.72Å |
| 1018 | V | 37.1 | Very low | 36.7 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.5 | -46.9 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | D1014 E1015 S1020 N1021 | D1014-V1018 PolarHBondContact O-N 2.78Å; D1014-V1018 VanDerWaalsContact O-N 3.08Å; E1015-V1018 PolarHBondContact O-N 3.26Å; V1018-S1020 PolarHBondContact O-N 3.23Å; V1018-N1021 PolarHBondContact O-N 2.81Å |
| 1019 | A | 35.2 | Very low | 36.5 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 56% | 0.562 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.4 | -25 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1011 E1015 | L1011-A1019 HydrophobicContact CD1-CB 4.15Å; E1015-A1019 VanDerWaalsContact O-CB 3.23Å; E1015-A1019 WeakPolarHBondContact O-CB 3.3Å; E1015-A1019 PolarHBondContact O-N 3.29Å |
| 1020 | S | 35.5 | Very low | 36.5 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -89.7 | -12.7 | 179.1 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | Q1016 I1017 V1018 | Q1016-S1020 WeakPolarHBondContact O-CB 3.34Å; Q1016-S1020 PolarHBondContact O-N 3.24Å; Q1016-S1020 VanDerWaalsContact O-N 3.14Å; Q1016-S1020 PolarHBondContact O-OG 2.71Å; I1017-S1020 PolarHBondContact O-OG 2.81Å; V1018-S1020 PolarHBondContact O-N 3.23Å |
| 1021 | N | 34.2 | Very low | 36.7 | Very low | 82 Ų | 82 | 132 Ų | 132 | 44% | 0.439 | 67% | 0.672 | S | S | . | * | trans | -138.3 | 75.1 | -175.8 | -162.7 | 4 | 0 | 0 | 0 | 114 | I1017 V1018 Q1023 | I1017-N1021 PolarHBondContact O-N 2.72Å; V1018-N1021 PolarHBondContact O-N 2.81Å; N1021-Q1023 PolarHBondContact O-N 2.92Å | ||
| 1022 | P | 35.6 | Very low | 36.8 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 29.2 | -170.6 | 34.1 | -39.3 | 0 | 0 | 0 | 115 | ||
| 1023 | Q | 39.4 | Very low | 36.7 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 77% | 0.771 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -2 | 179.6 | -65.2 | -160.5 | -55.9 | 0 | 0 | 114.3 | N1021 | N1021-Q1023 PolarHBondContact O-N 2.92Š|
| 1024 | H | 37 | Very low | 36.6 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -94.5 | -1.8 | -169.8 | -129.3 | -64.3 | 0 | 0 | 0 | 116.3 | ||
| 1025 | E | 34.1 | Very low | 36.6 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | trans | -118.7 | 53.2 | -176 | -159.6 | 175.2 | -144.2 | 0 | 0 | 112.6 | ||||
| 1026 | Y | 32.2 | Very low | 36.3 | Very low | 222 Ų | 222 | 135.4 Ų | 135.4 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | trans | -137.7 | 50.1 | 175.2 | -103.7 | -76.5 | 0 | 0 | 0 | 112.6 | ||||
| 1027 | L | 32.5 | Very low | 36.4 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -163 | 143.1 | 165.3 | -106.5 | 159 | 0 | 0 | 0 | 110.8 | ||
| 1028 | Q | 32.9 | Very low | 36.2 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 63.9 | 94.2 | 170.3 | -56.7 | -176.8 | -1.8 | 0 | 0 | 119.1 | ||||
| 1029 | R | 34.4 | Very low | 36.2 | Very low | 244 Ų | 244 | 134.1 Ų | 134.1 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | 178.6 | 88 | 115.6 | -96.8 | 176 | -172.2 | -165.9 | 4.2 | 111.9 | |||||
| 1030 | D | 37 | Very low | 36.1 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75 | 139.1 | 161.5 | -73.9 | -60.1 | 0 | 0 | 0 | 110.5 | ||
| 1031 | P | 41.7 | Very low | 36.3 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 72% | 0.721 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 141.5 | 174 | 31.7 | -33.5 | 0 | 0 | 0 | 111.5 | S1033 | P1031-S1033 PolarHBondContact O-N 2.99Š|
| 1032 | P | 38.5 | Very low | 36.4 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 85% | 0.851 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 132.9 | 179.4 | 28.5 | -34.4 | 0 | 0 | 0 | 111.6 | ||
| 1033 | S | 37.9 | Very low | 36.4 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 70% | 0.699 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 140.5 | 178.3 | 51.7 | 0 | 0 | 0 | 0 | 112 | P1031 T1035 | P1031-S1033 PolarHBondContact O-N 2.99Å; S1033-T1035 PolarHBondContact O-N 2.91Å |
| 1034 | P | 35.9 | Very low | 36.3 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 86% | 0.857 | 86% | 0.857 | S | S | * | * | trans | -82.7 | 99.3 | -179.1 | 31.7 | -33.5 | 0 | 0 | 0 | 111.4 | ||||
| 1035 | T | 41.3 | Very low | 36.2 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 83% | 0.828 | 86% | 0.862 | S | S | * | * | trans | -82.3 | 121.9 | 166.6 | 43.5 | 0 | 0 | 0 | 0 | 110.3 | S1033 | S1033-T1035 PolarHBondContact O-N 2.91Š| ||
| 1036 | G | 34.4 | Very low | 36.4 | Very low | 86 Ų | 86 | 142.3 Ų | 142.3 | 89% | 0.887 | 86% | 0.864 | S | S | * | * | trans | -77 | 138.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1037 | G | 39.7 | Very low | 36.6 | Very low | 84 Ų | 84 | 137 Ų | 137 | 87% | 0.866 | 86% | 0.864 | S | S | * | * | trans | -138.5 | 120.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1038 | G | 34.6 | Very low | 36.9 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 85% | 0.845 | 87% | 0.865 | S | S | * | * | trans | -125.3 | 139 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1039 | S | 35.5 | Very low | 37.3 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 87% | 0.869 | S | S | * | * | trans | -165.8 | 142 | 151.8 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1040 | C | 33.6 | Very low | 37.5 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 80% | 0.804 | 86% | 0.864 | S | S | * | * | trans | -40.1 | 130.8 | 179.6 | -45.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1041 | T | 39.9 | Very low | 37.5 | Very low | 214 Ų | 214 | 119.5 Ų | 119.5 | 100% | 1.313 | 87% | 0.865 | S | S | * | * | -140.5 | 0 | 108.3 | 50.3 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 1,041 of 1,041 residues in 1641.5 ms
(Link to these results)