| 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 | 40.5 | Very low | 72.8 | Confident | 197 Ų | 197 | 94.4 Ų | 94.4 | 97% | 0.97 | 52% | 0.518 | S | S | * | . | 0 | 144 | 0 | -65.2 | -163.2 | -169.4 | 0 | 0 | 108.2 | N3 | M1-N3 PolarHBondContact O-N 2.93Š| |||
| 2 | P | 43.2 | Very low | 74.4 | Confident | 115 Ų | 115 | 94.1 Ų | 94.1 | 75% | 0.747 | 52% | 0.515 | S | S | * | . | trans | -62.6 | 133.6 | 179.1 | 24.8 | -30.7 | 0 | 0 | 0 | 109.8 | V4 | P2-V4 PolarHBondContact O-N 3.2Å; P2-V4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | N | 52.6 | Low | 75.7 | Confident | 100 Ų | 100 | 88.5 Ų | 88.5 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | trans | -65.9 | 104.3 | 178.5 | -162.3 | -2.9 | 0 | 0 | 0 | 108.4 | M1 L5 D76 | M1-N3 PolarHBondContact O-N 2.93Å; N3-L5 PolarHBondContact O-N 3.41Å; N3-D76 PolarHBondContact OD1-OD2 3.42Å | ||
| 4 | V | 62.5 | Low | 76.8 | Confident | 69 Ų | 69 | 83.4 Ų | 83.4 | 42% | 0.418 | 46% | 0.455 | S | S | . | . | trans | -81.7 | 85.8 | -175.5 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | P2 L6 F42 H45 | P2-V4 PolarHBondContact O-N 3.2Å; P2-V4 VanDerWaalsContact O-N 3.1Å; V4-L6 PolarHBondContact O-N 2.73Å; V4-F42 HydrophobicContact CG1-CD1 3.83Å; V4-F42 HydrophobicContact CG1-CE1 3.82Å; V4-H45 PolarHBondContact O-CD2 3.31Å; V4-H45 PolarHBondContact O-NE2 2.87Å | ||
| 5 | L | 72.4 | Confident | 77.8 | Confident | 147 Ų | 147 | 86.7 Ų | 86.7 | 77% | 0.77 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 128.3 | 172.9 | -77.9 | 154.7 | 0 | 0 | 0 | 110.2 | N3 | N3-L5 PolarHBondContact O-N 3.41Š|
| 6 | L | 85.3 | Confident | 78.7 | Confident | 29 Ų | 29 | 90.4 Ų | 90.4 | 15% | 0.152 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 135.2 | 177.1 | -69.6 | 176.7 | 0 | 0 | 0 | 111 | V4 E10 F14 I36 F42 | V4-L6 PolarHBondContact O-N 2.73Å; L6-E10 HydrophobicContact CB-CB 4.18Å; L6-E10 HydrophobicContact CD2-CB 4Å; L6-E10 HydrophobicContact CG-CB 4.47Å; L6-F14 HydrophobicContact CD1-CB 3.79Å; L6-F14 HydrophobicContact CD1-CD2 4.38Å; L6-F14 HydrophobicContact CD1-CG 4.11Å; L6-I36 HydrophobicContact CD2-CG2 4.15Å; L6-F42 HydrophobicContact CD2-CB 4.35Å; L6-F42 HydrophobicContact CD2-CD1 3.85Å; L6-F42 HydrophobicContact CD2-CE1 4.31Å; L6-F42 HydrophobicContact CD2-CG 3.98Å |
| 7 | P | 88.3 | Confident | 79.6 | Confident | 50 Ų | 50 | 85.1 Ų | 85.1 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 164.1 | 170.3 | -18.6 | 29.2 | 0 | 0 | 0 | 112.2 | K9 E10 S11 F42 | P7-K9 VanDerWaalsContact C-N 3.26Å; P7-K9 PolarHBondContact O-N 2.9Å; P7-K9 VanDerWaalsContact O-N 3.09Å; P7-E10 WeakPolarHBondContact CB-OE2 3.45Å; P7-E10 PolarHBondContact O-N 3.05Å; P7-S11 VanDerWaalsContact O-CB 3.3Å; P7-S11 WeakPolarHBondContact O-CB 3.38Å; P7-S11 PolarHBondContact O-N 3.02Å; P7-F42 HydrophobicContact CG-CE1 4.35Å; P7-F42 HydrophobicContact CG-CE2 4.16Å; P7-F42 HydrophobicContact CG-CZ 3.52Å |
| 8 | P | 88.8 | Confident | 80.1 | Confident | 106 Ų | 106 | 83.8 Ų | 83.8 | 69% | 0.688 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -54.9 | -35.2 | -173.3 | -27.5 | 34.4 | 0 | 0 | 0 | 115.1 | N12 | P8-N12 WeakPolarHBondContact O-CB 3.37Å; P8-N12 VanDerWaalsContact O-CG 3.31Å; P8-N12 PolarHBondContact O-N 3.23Å; P8-N12 PolarHBondContact O-ND2 3.43Å |
| 9 | K | 88.6 | Confident | 80.7 | Confident | 155 Ų | 155 | 85.7 Ų | 85.7 | 67% | 0.674 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.2 | -50.6 | 179.6 | -175.1 | -178.3 | 178.2 | -177.3 | 0 | 111.3 | P7 N12 L13 | P7-K9 VanDerWaalsContact C-N 3.26Å; P7-K9 PolarHBondContact O-N 2.9Å; P7-K9 VanDerWaalsContact O-N 3.09Å; K9-N12 PolarHBondContact O-N 3.02Å; K9-L13 PolarHBondContact O-N 2.87Å; K9-L13 VanDerWaalsContact O-N 3.14Å |
| 10 | E | 89.4 | Confident | 81.2 | Confident | 32 Ų | 32 | 81.9 Ų | 81.9 | 15% | 0.15 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.9 | -34 | 177.1 | -69.4 | 77.9 | -176.6 | 0 | 0 | 112 | L6 P7 L13 F14 F42 | L6-E10 HydrophobicContact CB-CB 4.18Å; L6-E10 HydrophobicContact CD2-CB 4Å; L6-E10 HydrophobicContact CG-CB 4.47Å; P7-E10 WeakPolarHBondContact CB-OE2 3.45Å; P7-E10 PolarHBondContact O-N 3.05Å; E10-L13 CarbonylContact O-C 3.16Å; E10-L13 WeakPolarHBondContact O-CB 3.3Å; E10-L13 PolarHBondContact O-N 2.93Å; E10-F14 WeakPolarHBondContact O-CB 3.5Å; E10-F14 PolarHBondContact O-N 2.83Å; E10-F42 HydrophobicContact CG-CD2 4.01Å; E10-F42 HydrophobicContact CG-CE2 3.93Å |
| 11 | S | 89.8 | Confident | 81.6 | Confident | 38 Ų | 38 | 80.9 Ų | 80.9 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | P7 L13 F14 K15 | P7-S11 VanDerWaalsContact O-CB 3.3Å; P7-S11 WeakPolarHBondContact O-CB 3.38Å; P7-S11 PolarHBondContact O-N 3.02Å; S11-L13 PolarHBondContact O-N 3.45Å; S11-F14 WeakPolarHBondContact O-CB 3.31Å; S11-F14 PolarHBondContact O-N 3.48Å; S11-K15 WeakPolarHBondContact O-CG 3.42Å; S11-K15 PolarHBondContact O-N 2.95Å |
| 12 | N | 91.3 | Very high | 83.9 | Confident | 91 Ų | 91 | 78.9 Ų | 78.9 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 173.3 | -78 | -25.8 | 0 | 0 | 0 | 112.4 | P8 K9 F14 R16 | P8-N12 WeakPolarHBondContact O-CB 3.37Å; P8-N12 VanDerWaalsContact O-CG 3.31Å; P8-N12 PolarHBondContact O-N 3.23Å; P8-N12 PolarHBondContact O-ND2 3.43Å; K9-N12 PolarHBondContact O-N 3.02Å; N12-F14 VanDerWaalsContact C-N 3.33Å; N12-R16 WeakPolarHBondContact O-CG 3.45Å; N12-R16 PolarHBondContact O-N 3.4Å; N12-R16 VanDerWaalsContact O-N 3.12Å |
| 13 | L | 91.7 | Very high | 86.2 | Confident | 22 Ų | 22 | 78.2 Ų | 78.2 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 171.2 | -70.7 | 172.2 | 0 | 0 | 0 | 111.1 | K9 E10 S11 R16 I17 F32 M35 I36 | K9-L13 PolarHBondContact O-N 2.87Å; K9-L13 VanDerWaalsContact O-N 3.14Å; E10-L13 CarbonylContact O-C 3.16Å; E10-L13 WeakPolarHBondContact O-CB 3.3Å; E10-L13 PolarHBondContact O-N 2.93Å; S11-L13 PolarHBondContact O-N 3.45Å; L13-R16 WeakPolarHBondContact O-CA 3.45Å; L13-R16 WeakPolarHBondContact O-CB 3.28Å; L13-R16 PolarHBondContact O-N 3.32Å; L13-R16 VanDerWaalsContact O-N 3.13Å; L13-I17 WeakPolarHBondContact O-CG1 3.46Å; L13-I17 PolarHBondContact O-N 3.48Å; L13-F32 HydrophobicContact CD2-CD1 3.99Å; L13-F32 HydrophobicContact CD2-CE1 4.47Å; L13-M35 HydrophobicContact CD1-CB 4.46Å; L13-M35 HydrophobicContact CD1-CE 4.4Å; L13-M35 HydrophobicContact CD2-CE 4.36Å; L13-I36 HydrophobicContact CB-CD1 3.88Å; L13-I36 HydrophobicContact CB-CG1 3.99Å; L13-I36 HydrophobicContact CD1-CG1 4.25Å |
| 14 | F | 91.7 | Very high | 88 | Confident | 17 Ų | 17 | 80.9 Ų | 80.9 | 8% | 0.075 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 177.7 | -172.4 | -102.6 | 0 | 0 | 0 | 112.5 | L6 E10 S11 N12 R16 I17 L18 I36 E47 M51 V81 | L6-F14 HydrophobicContact CD1-CB 3.79Å; L6-F14 HydrophobicContact CD1-CD2 4.38Å; L6-F14 HydrophobicContact CD1-CG 4.11Å; E10-F14 WeakPolarHBondContact O-CB 3.5Å; E10-F14 PolarHBondContact O-N 2.83Å; S11-F14 WeakPolarHBondContact O-CB 3.31Å; S11-F14 PolarHBondContact O-N 3.48Å; N12-F14 VanDerWaalsContact C-N 3.33Å; F14-R16 VanDerWaalsContact C-N 3.26Å; F14-R16 PolarHBondContact O-N 2.96Å; F14-I17 HydrophobicContact CD2-CD1 4.28Å; F14-I17 WeakPolarHBondContact O-CB 3.46Å; F14-I17 PolarHBondContact O-N 3.25Å; F14-L18 HydrophobicContact CD1-CD1 4.31Å; F14-L18 HydrophobicContact CE1-CD1 4Å; F14-L18 HydrophobicContact CE1-CG 4.36Å; F14-L18 PolarHBondContact O-N 3.18Å; F14-L18 VanDerWaalsContact O-N 3.13Å; F14-I36 HydrophobicContact CB-CD1 4.08Å; F14-E47 HydrophobicContact CE2-CB 3.91Å; F14-E47 HydrophobicContact CZ-CB 3.67Å; F14-M51 HydrophobicContact CE2-CB 4.36Å; F14-M51 HydrophobicContact CE2-CG 3.8Å; F14-M51 HydrophobicContact CZ-CG 3.88Å; F14-V81 HydrophobicContact CZ-CG1 4.39Å |
| 15 | K | 91.3 | Very high | 89.5 | Confident | 133 Ų | 133 | 81.6 Ų | 81.6 | 58% | 0.578 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.2 | -36.3 | 171.5 | -70.4 | 177.9 | -178.1 | 178.6 | 0 | 112.5 | S11 L18 K19 | S11-K15 WeakPolarHBondContact O-CG 3.42Å; S11-K15 PolarHBondContact O-N 2.95Å; K15-L18 PolarHBondContact O-N 3.16Å; K15-K19 PolarHBondContact O-N 3.41Å; K15-K19 VanDerWaalsContact O-N 3.08Å |
| 16 | R | 92.6 | Very high | 90.4 | Very high | 145 Ų | 145 | 76.8 Ų | 76.8 | 55% | 0.547 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67 | -35.3 | 173.5 | -70.9 | 176 | 179.5 | -167.8 | -0.4 | 112.2 | N12 L13 F14 K19 C20 F32 | N12-R16 WeakPolarHBondContact O-CG 3.45Å; N12-R16 PolarHBondContact O-N 3.4Å; N12-R16 VanDerWaalsContact O-N 3.12Å; L13-R16 WeakPolarHBondContact O-CA 3.45Å; L13-R16 WeakPolarHBondContact O-CB 3.28Å; L13-R16 PolarHBondContact O-N 3.32Å; L13-R16 VanDerWaalsContact O-N 3.13Å; F14-R16 VanDerWaalsContact C-N 3.26Å; F14-R16 PolarHBondContact O-N 2.96Å; R16-K19 PolarHBondContact O-N 3Å; R16-C20 WeakPolarHBondContact O-CB 2.97Å; R16-C20 PolarHBondContact O-N 3.02Å; R16-C20 PolarHBondContact O-SG 3.39Å; R16-F32 HydrophobicContact CB-CD2 4.28Å; R16-F32 HydrophobicContact CB-CE2 4.39Å |
| 17 | I | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 174 | -64.9 | 165.1 | 0 | 0 | 0 | 110.1 | L13 F14 K19 C20 Y21 F32 C33 I36 T48 M51 | L13-I17 WeakPolarHBondContact O-CG1 3.46Å; L13-I17 PolarHBondContact O-N 3.48Å; F14-I17 HydrophobicContact CD2-CD1 4.28Å; F14-I17 WeakPolarHBondContact O-CB 3.46Å; F14-I17 PolarHBondContact O-N 3.25Å; I17-K19 PolarHBondContact O-N 2.83Å; I17-C20 PolarHBondContact O-N 3.47Å; I17-Y21 PolarHBondContact O-N 2.99Å; I17-F32 HydrophobicContact CD1-CB 4.19Å; I17-F32 HydrophobicContact CG1-CB 3.55Å; I17-C33 HydrophobicContact CD1-CB 4.31Å; I17-I36 HydrophobicContact CD1-CD1 3.68Å; I17-T48 HydrophobicContact CD1-CG2 4.24Å; I17-M51 HydrophobicContact CG2-CB 3.93Å; I17-M51 HydrophobicContact CG2-CE 4.31Å; I17-M51 HydrophobicContact CG2-CG 4.5Å |
| 18 | L | 89.4 | Confident | 91 | Very high | 63 Ų | 63 | 83.8 Ų | 83.8 | 33% | 0.33 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.2 | -48 | 177.1 | -67 | 171.1 | 0 | 0 | 0 | 111.6 | F14 K15 C20 Y21 E22 M51 | F14-L18 HydrophobicContact CD1-CD1 4.31Å; F14-L18 HydrophobicContact CE1-CD1 4Å; F14-L18 HydrophobicContact CE1-CG 4.36Å; F14-L18 PolarHBondContact O-N 3.18Å; F14-L18 VanDerWaalsContact O-N 3.13Å; K15-L18 PolarHBondContact O-N 3.16Å; L18-C20 PolarHBondContact O-N 3.35Å; L18-Y21 WeakPolarHBondContact O-CB 3.46Å; L18-Y21 PolarHBondContact O-N 3.43Å; L18-Y21 VanDerWaalsContact O-N 3.12Å; L18-E22 WeakPolarHBondContact O-CG 3.43Å; L18-E22 PolarHBondContact O-N 3.48Å; L18-M51 HydrophobicContact CD2-CE 3.71Å; L18-M51 HydrophobicContact CD2-CG 4.29Å; L18-M51 HydrophobicContact CD2-SD 3.68Å |
| 19 | K | 90.9 | Very high | 91.2 | Very high | 119 Ų | 119 | 78.8 Ų | 78.8 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 177 | -174.1 | 173 | -179.7 | 175.3 | 0 | 112.8 | K15 R16 I17 Y21 E22 Q23 | K15-K19 PolarHBondContact O-N 3.41Å; K15-K19 VanDerWaalsContact O-N 3.08Å; R16-K19 PolarHBondContact O-N 3Å; I17-K19 PolarHBondContact O-N 2.83Å; K19-Y21 VanDerWaalsContact C-N 3.29Å; K19-Y21 PolarHBondContact O-N 3.34Å; K19-E22 PolarHBondContact O-N 3.15Å; K19-Q23 HydrophobicContact CG-CG 4.42Å; K19-Q23 WeakPolarHBondContact O-CB 3.36Å; K19-Q23 VanDerWaalsContact O-CG 3.29Å; K19-Q23 WeakPolarHBondContact O-CG 3.45Å; K19-Q23 PolarHBondContact O-N 3.4Å |
| 20 | C | 91.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 73.3 Ų | 73.3 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 174.9 | -76.4 | 0 | 0 | 0 | 0 | 111.4 | R16 I17 L18 Q23 K24 Q25 | R16-C20 WeakPolarHBondContact O-CB 2.97Å; R16-C20 PolarHBondContact O-N 3.02Å; R16-C20 PolarHBondContact O-SG 3.39Å; I17-C20 PolarHBondContact O-N 3.47Å; L18-C20 PolarHBondContact O-N 3.35Å; C20-Q23 PolarHBondContact O-N 3.41Å; C20-K24 PolarHBondContact O-N 2.89Å; C20-K24 VanDerWaalsContact O-N 3.16Å; C20-Q25 HydrophobicContact CB-CB 4.26Å; C20-Q25 PolarHBondContact O-N 3.42Å |
| 21 | Y | 89.6 | Confident | 91.7 | Very high | 62 Ų | 62 | 78.3 Ų | 78.3 | 24% | 0.243 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.9 | -48.2 | 175.1 | 178.4 | -100.9 | 0 | 0 | 0 | 111.7 | I17 L18 K19 Q23 K24 Y26 M51 L54 | I17-Y21 PolarHBondContact O-N 2.99Å; L18-Y21 WeakPolarHBondContact O-CB 3.46Å; L18-Y21 PolarHBondContact O-N 3.43Å; L18-Y21 VanDerWaalsContact O-N 3.12Å; K19-Y21 VanDerWaalsContact C-N 3.29Å; K19-Y21 PolarHBondContact O-N 3.34Å; Y21-Q23 VanDerWaalsContact C-N 3.25Å; Y21-Q23 PolarHBondContact O-N 2.99Å; Y21-K24 PolarHBondContact O-N 3.31Å; Y21-Y26 HydrophobicContact CD2-CD1 4.33Å; Y21-Y26 AromaticContact CD2-CE1 3.97Å; Y21-Y26 HydrophobicContact CD2-CE1 3.97Å; Y21-Y26 HydrophobicContact CE2-CE1 4.2Å; Y21-M51 HydrophobicContact CG-CE 4.18Å; Y21-L54 HydrophobicContact CD1-CD2 4.5Å; Y21-L54 HydrophobicContact CD2-CD2 4.36Å; Y21-L54 HydrophobicContact CD2-CG 4.37Å; Y21-L54 HydrophobicContact CE1-CD2 3.94Å; Y21-L54 HydrophobicContact CE2-CD1 4.43Å; Y21-L54 HydrophobicContact CE2-CD2 3.79Å; Y21-L54 HydrophobicContact CE2-CG 3.64Å |
| 22 | E | 87.8 | Confident | 91.9 | Very high | 154 Ų | 154 | 78.8 Ų | 78.8 | 72% | 0.72 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.7 | -36.5 | 176.5 | -70.5 | 174 | 177.7 | 0 | 0 | 112.8 | L18 K19 K24 | L18-E22 WeakPolarHBondContact O-CG 3.43Å; L18-E22 PolarHBondContact O-N 3.48Å; K19-E22 PolarHBondContact O-N 3.15Å; E22-K24 VanDerWaalsContact C-N 3.28Å; E22-K24 PolarHBondContact O-N 3.08Å |
| 23 | Q | 91.3 | Very high | 92 | Very high | 101 Ų | 101 | 74.5 Ų | 74.5 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 6.8 | 177.8 | -64.9 | -177.6 | -18.4 | 0 | 0 | 113.6 | K19 C20 Y21 Q25 | K19-Q23 HydrophobicContact CG-CG 4.42Å; K19-Q23 WeakPolarHBondContact O-CB 3.36Å; K19-Q23 VanDerWaalsContact O-CG 3.29Å; K19-Q23 WeakPolarHBondContact O-CG 3.45Å; K19-Q23 PolarHBondContact O-N 3.4Å; C20-Q23 PolarHBondContact O-N 3.41Å; Y21-Q23 VanDerWaalsContact C-N 3.25Å; Y21-Q23 PolarHBondContact O-N 2.99Å; Q23-Q25 HydrophobicContact CB-CG 4.14Å; Q23-Q25 PolarHBondContact O-N 2.99Å; Q23-Q25 VanDerWaalsContact O-N 3.15Å |
| 24 | K | 91.5 | Very high | 92.1 | Very high | 156 Ų | 156 | 80.9 Ų | 80.9 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 23.1 | -176.6 | -53.7 | -174.3 | 177.3 | -174.3 | 0 | 114.6 | C20 Y21 E22 Y26 | C20-K24 PolarHBondContact O-N 2.89Å; C20-K24 VanDerWaalsContact O-N 3.16Å; Y21-K24 PolarHBondContact O-N 3.31Å; E22-K24 VanDerWaalsContact C-N 3.28Å; E22-K24 PolarHBondContact O-N 3.08Å; K24-Y26 VanDerWaalsContact C-N 3.29Å; K24-Y26 HydrophobicContact CB-CE1 4.42Å; K24-Y26 HydrophobicContact CB-CE2 4.18Å; K24-Y26 PolarHBondContact O-N 3.36Å; K24-Y26 VanDerWaalsContact O-N 3.11Å |
| 25 | Q | 92.8 | Very high | 92.1 | Very high | 84 Ų | 84 | 84.9 Ų | 84.9 | 39% | 0.393 | 38% | 0.38 | S | S | . | . | trans | -86.7 | 60.5 | 176.7 | -62.9 | -175.3 | 1.9 | 0 | 0 | 111.6 | C20 Q23 K27 N28 G29 | C20-Q25 HydrophobicContact CB-CB 4.26Å; C20-Q25 PolarHBondContact O-N 3.42Å; Q23-Q25 HydrophobicContact CB-CG 4.14Å; Q23-Q25 PolarHBondContact O-N 2.99Å; Q23-Q25 VanDerWaalsContact O-N 3.15Å; Q25-K27 PolarHBondContact O-N 3.48Å; Q25-N28 HydrophobicContact CB-CB 4.41Å; Q25-N28 PolarHBondContact O-N 3.41Å; Q25-G29 PolarHBondContact O-N 3.36Å | ||
| 26 | Y | 92.9 | Very high | 92.2 | Very high | 46 Ų | 46 | 78.6 Ų | 78.6 | 18% | 0.18 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | -168.8 | -54 | -51.8 | 0 | 0 | 0 | 113.9 | Y21 K24 N28 G29 L30 T55 C58 L59 | Y21-Y26 HydrophobicContact CD2-CD1 4.33Å; Y21-Y26 AromaticContact CD2-CE1 3.97Å; Y21-Y26 HydrophobicContact CD2-CE1 3.97Å; Y21-Y26 HydrophobicContact CE2-CE1 4.2Å; K24-Y26 VanDerWaalsContact C-N 3.29Å; K24-Y26 HydrophobicContact CB-CE1 4.42Å; K24-Y26 HydrophobicContact CB-CE2 4.18Å; K24-Y26 PolarHBondContact O-N 3.36Å; K24-Y26 VanDerWaalsContact O-N 3.11Å; Y26-N28 VanDerWaalsContact C-N 3.31Å; Y26-N28 PolarHBondContact O-N 2.79Å; Y26-G29 PolarHBondContact O-N 3Å; Y26-G29 VanDerWaalsContact O-N 3.17Å; Y26-L30 WeakPolarHBondContact O-CG 3.48Å; Y26-L30 PolarHBondContact O-N 2.73Å; Y26-T55 HydrophobicContact CD1-CG2 4.08Å; Y26-T55 HydrophobicContact CG-CG2 4.3Å; Y26-T55 WeakPolarHBondContact O-CG2 3.5Å; Y26-C58 HydrophobicContact CD1-CB 4Å; Y26-C58 HydrophobicContact CD2-CB 4.09Å; Y26-C58 HydrophobicContact CE1-CB 3.64Å; Y26-C58 HydrophobicContact CE2-CB 3.74Å; Y26-C58 HydrophobicContact CG-CB 4.21Å; Y26-C58 VanDerWaalsContact CZ-CB 3.5Å; Y26-L59 HydrophobicContact CD2-CD2 4.15Å; Y26-L59 HydrophobicContact CG-CD2 4.45Å |
| 27 | K | 92.9 | Very high | 92.1 | Very high | 160 Ų | 160 | 72.9 Ų | 72.9 | 70% | 0.696 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.8 | -38.2 | 178.6 | -67.6 | -179.1 | -178.7 | 172.7 | 0 | 112.4 | Q25 K31 | Q25-K27 PolarHBondContact O-N 3.48Å; K27-K31 WeakPolarHBondContact O-CG 3.28Å; K27-K31 PolarHBondContact O-N 3.4Å |
| 28 | N | 92.3 | Very high | 92.1 | Very high | 67 Ų | 67 | 77 Ų | 77 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.2 | -41.2 | 175.7 | -71 | -19.1 | 0 | 0 | 0 | 111.2 | Q25 Y26 L30 K31 F32 | Q25-N28 HydrophobicContact CB-CB 4.41Å; Q25-N28 PolarHBondContact O-N 3.41Å; Y26-N28 VanDerWaalsContact C-N 3.31Å; Y26-N28 PolarHBondContact O-N 2.79Å; N28-L30 VanDerWaalsContact C-N 3.31Å; N28-L30 PolarHBondContact O-N 3.19Å; N28-K31 WeakPolarHBondContact O-CB 3.28Å; N28-K31 PolarHBondContact O-N 3.38Å; N28-K31 VanDerWaalsContact O-N 3.15Å; N28-F32 HydrophobicContact CB-CE2 4.45Å; N28-F32 VanDerWaalsContact O-CD2 3.25Å; N28-F32 WeakPolarHBondContact O-CD2 3.43Å; N28-F32 PolarHBondContact O-N 3.39Å; N28-F32 VanDerWaalsContact O-N 3.09Å |
| 29 | G | 92.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -53.9 | -46.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q25 Y26 K31 F32 C33 | Q25-G29 PolarHBondContact O-N 3.36Å; Y26-G29 PolarHBondContact O-N 3Å; Y26-G29 VanDerWaalsContact O-N 3.17Å; G29-K31 PolarHBondContact O-N 2.63Å; G29-F32 PolarHBondContact O-N 3.07Å; G29-C33 PolarHBondContact O-N 3.14Å; G29-C33 PolarHBondContact O-SG 3.31Å |
| 30 | L | 93.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 76.3 Ų | 76.3 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 177.2 | -69.7 | -177.3 | 0 | 0 | 0 | 113.5 | Y26 N28 C33 K34 K52 T55 L56 L59 | Y26-L30 WeakPolarHBondContact O-CG 3.48Å; Y26-L30 PolarHBondContact O-N 2.73Å; N28-L30 VanDerWaalsContact C-N 3.31Å; N28-L30 PolarHBondContact O-N 3.19Å; L30-C33 WeakPolarHBondContact O-CB 3.44Å; L30-C33 PolarHBondContact O-N 2.85Å; L30-K34 WeakPolarHBondContact O-CB 3.37Å; L30-K34 PolarHBondContact O-N 2.87Å; L30-K52 HydrophobicContact CD2-CG 3.96Å; L30-T55 HydrophobicContact CD2-CG2 3.74Å; L30-T55 HydrophobicContact CG-CG2 3.72Å; L30-L56 HydrophobicContact CD1-CD2 3.95Å; L30-L56 HydrophobicContact CD2-CD2 4.17Å; L30-L56 HydrophobicContact CD2-CG 4.05Å; L30-L59 HydrophobicContact CD1-CD1 3.48Å; L30-L59 VanDerWaalsContact CD1-CD1 3.48Å; L30-L59 HydrophobicContact CG-CD1 4.41Å |
| 31 | K | 94.4 | Very high | 91.5 | Very high | 137 Ų | 137 | 83.9 Ų | 83.9 | 60% | 0.596 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | 174.7 | -72.2 | 176.1 | -177.5 | 175.7 | 0 | 110.8 | K27 N28 G29 K34 M35 | K27-K31 WeakPolarHBondContact O-CG 3.28Å; K27-K31 PolarHBondContact O-N 3.4Å; N28-K31 WeakPolarHBondContact O-CB 3.28Å; N28-K31 PolarHBondContact O-N 3.38Å; N28-K31 VanDerWaalsContact O-N 3.15Å; G29-K31 PolarHBondContact O-N 2.63Å; K31-K34 WeakPolarHBondContact O-CB 3.3Å; K31-K34 PolarHBondContact O-N 2.93Å; K31-M35 WeakPolarHBondContact O-CG 3.35Å; K31-M35 PolarHBondContact O-N 3.43Å |
| 32 | F | 93.8 | Very high | 91.4 | Very high | 48 Ų | 48 | 81.6 Ų | 81.6 | 21% | 0.211 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 177.4 | -64.4 | -47.5 | 0 | 0 | 0 | 112.5 | L13 R16 I17 N28 G29 K34 M35 I36 | L13-F32 HydrophobicContact CD2-CD1 3.99Å; L13-F32 HydrophobicContact CD2-CE1 4.47Å; R16-F32 HydrophobicContact CB-CD2 4.28Å; R16-F32 HydrophobicContact CB-CE2 4.39Å; I17-F32 HydrophobicContact CD1-CB 4.19Å; I17-F32 HydrophobicContact CG1-CB 3.55Å; N28-F32 HydrophobicContact CB-CE2 4.45Å; N28-F32 VanDerWaalsContact O-CD2 3.25Å; N28-F32 WeakPolarHBondContact O-CD2 3.43Å; N28-F32 PolarHBondContact O-N 3.39Å; N28-F32 VanDerWaalsContact O-N 3.09Å; G29-F32 PolarHBondContact O-N 3.07Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-K34 PolarHBondContact O-N 2.87Å; F32-M35 HydrophobicContact CD1-SD 3.85Å; F32-M35 HydrophobicContact CE1-SD 4.35Å; F32-M35 PolarHBondContact O-N 3.33Å; F32-I36 PolarHBondContact O-N 3.36Å |
| 33 | C | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.8 | -47.8 | 170.8 | -65.2 | 0 | 0 | 0 | 0 | 110.8 | I17 G29 L30 M35 I36 L37 T48 K52 | I17-C33 HydrophobicContact CD1-CB 4.31Å; G29-C33 PolarHBondContact O-N 3.14Å; G29-C33 PolarHBondContact O-SG 3.31Å; L30-C33 WeakPolarHBondContact O-CB 3.44Å; L30-C33 PolarHBondContact O-N 2.85Å; C33-M35 VanDerWaalsContact C-N 3.31Å; C33-M35 PolarHBondContact O-N 3.39Å; C33-I36 PolarHBondContact O-N 3.46Å; C33-L37 WeakPolarHBondContact O-CB 3.2Å; C33-L37 VanDerWaalsContact O-CG 3.23Å; C33-L37 WeakPolarHBondContact O-CG 3.25Å; C33-L37 PolarHBondContact O-N 3.17Å; C33-T48 HydrophobicContact CB-CG2 4.31Å; C33-K52 HydrophobicContact CB-CB 4.08Å; C33-K52 HydrophobicContact CB-CG 4.29Å |
| 34 | K | 94.1 | Very high | 91.4 | Very high | 157 Ų | 157 | 75.7 Ų | 75.7 | 68% | 0.683 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.5 | -37.7 | 179 | -172 | 177 | 179.8 | 178.9 | 0 | 112.1 | L30 K31 F32 I36 L37 S38 | L30-K34 WeakPolarHBondContact O-CB 3.37Å; L30-K34 PolarHBondContact O-N 2.87Å; K31-K34 WeakPolarHBondContact O-CB 3.3Å; K31-K34 PolarHBondContact O-N 2.93Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-K34 PolarHBondContact O-N 2.87Å; K34-I36 PolarHBondContact O-N 3.34Å; K34-L37 PolarHBondContact O-N 2.9Å; K34-S38 WeakPolarHBondContact O-CB 3.12Å; K34-S38 PolarHBondContact O-N 3.02Å; K34-S38 PolarHBondContact O-OG 3.41Å |
| 35 | M | 93.1 | Very high | 91.4 | Very high | 101 Ų | 101 | 68.9 Ų | 68.9 | 50% | 0.498 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 177.1 | -70.1 | 174.7 | 69.2 | 0 | 0 | 112.1 | L13 K31 F32 C33 S38 | L13-M35 HydrophobicContact CD1-CB 4.46Å; L13-M35 HydrophobicContact CD1-CE 4.4Å; L13-M35 HydrophobicContact CD2-CE 4.36Å; K31-M35 WeakPolarHBondContact O-CG 3.35Å; K31-M35 PolarHBondContact O-N 3.43Å; F32-M35 HydrophobicContact CD1-SD 3.85Å; F32-M35 HydrophobicContact CE1-SD 4.35Å; F32-M35 PolarHBondContact O-N 3.33Å; C33-M35 VanDerWaalsContact C-N 3.31Å; C33-M35 PolarHBondContact O-N 3.39Å; M35-S38 PolarHBondContact O-OG 3.45Å |
| 36 | I | 91.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.6 | -49.1 | 177 | -61.5 | 175.9 | 0 | 0 | 0 | 110.3 | L6 L13 F14 I17 F32 C33 K34 S38 N39 F42 T48 | L6-I36 HydrophobicContact CD2-CG2 4.15Å; L13-I36 HydrophobicContact CB-CD1 3.88Å; L13-I36 HydrophobicContact CB-CG1 3.99Å; L13-I36 HydrophobicContact CD1-CG1 4.25Å; F14-I36 HydrophobicContact CB-CD1 4.08Å; I17-I36 HydrophobicContact CD1-CD1 3.68Å; F32-I36 PolarHBondContact O-N 3.36Å; C33-I36 PolarHBondContact O-N 3.46Å; K34-I36 PolarHBondContact O-N 3.34Å; I36-S38 VanDerWaalsContact C-N 3.28Å; I36-S38 PolarHBondContact O-N 2.94Å; I36-N39 PolarHBondContact O-N 3.08Å; I36-F42 HydrophobicContact CG2-CB 4.06Å; I36-T48 HydrophobicContact CB-CG2 4.02Å; I36-T48 HydrophobicContact CD1-CG2 4.22Å; I36-T48 HydrophobicContact CG2-CG2 4.05Å |
| 37 | L | 92.3 | Very high | 91.3 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.6 | -18.9 | -175.4 | -60.9 | 171.5 | 0 | 0 | 0 | 113.5 | C33 K34 N39 A43 T48 L49 K52 | C33-L37 WeakPolarHBondContact O-CB 3.2Å; C33-L37 VanDerWaalsContact O-CG 3.23Å; C33-L37 WeakPolarHBondContact O-CG 3.25Å; C33-L37 PolarHBondContact O-N 3.17Å; K34-L37 PolarHBondContact O-N 2.9Å; L37-N39 VanDerWaalsContact C-N 3.25Å; L37-N39 PolarHBondContact O-N 3.34Å; L37-A43 WeakPolarHBondContact O-CA 3.43Å; L37-A43 WeakPolarHBondContact O-CB 3.48Å; L37-T48 HydrophobicContact CD1-CG2 4.19Å; L37-T48 HydrophobicContact CD2-CG2 3.88Å; L37-T48 HydrophobicContact CG-CG2 3.78Å; L37-L49 HydrophobicContact CD1-CD2 3.96Å; L37-L49 HydrophobicContact CD2-CD2 3.86Å; L37-L49 HydrophobicContact CD2-CG 3.99Å; L37-K52 HydrophobicContact CD1-CD 3.8Å |
| 38 | S | 91.6 | Very high | 91.4 | Very high | 86 Ų | 86 | 57.1 Ų | 57.1 | 60% | 0.601 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -20.5 | 175.2 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | K34 M35 I36 P40 | K34-S38 WeakPolarHBondContact O-CB 3.12Å; K34-S38 PolarHBondContact O-N 3.02Å; K34-S38 PolarHBondContact O-OG 3.41Å; M35-S38 PolarHBondContact O-OG 3.45Å; I36-S38 VanDerWaalsContact C-N 3.28Å; I36-S38 PolarHBondContact O-N 2.94Å; S38-P40 WeakPolarHBondContact O-CD 3.31Å |
| 39 | N | 89.1 | Confident | 91.5 | Very high | 49 Ų | 49 | 54.1 Ų | 54.1 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -78.3 | 118.7 | 172.9 | -174.9 | -17.5 | 0 | 0 | 0 | 108.5 | I36 L37 K41 F42 A43 | I36-N39 PolarHBondContact O-N 3.08Å; L37-N39 VanDerWaalsContact C-N 3.25Å; L37-N39 PolarHBondContact O-N 3.34Å; N39-K41 PolarHBondContact O-N 2.9Å; N39-K41 PolarHBondContact OD1-N 3.33Å; N39-F42 HydrophobicContact CB-CD2 4.05Å; N39-F42 CarbonylContact O-C 3.59Å; N39-F42 PolarHBondContact O-N 2.98Å; N39-A43 PolarHBondContact O-N 2.96Å |
| 40 | P | 86.6 | Confident | 91.5 | Very high | 119 Ų | 119 | 54.1 Ų | 54.1 | 77% | 0.773 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.6 | -178.3 | -27.4 | 35.6 | 0 | 0 | 0 | 114.1 | S38 F42 | S38-P40 WeakPolarHBondContact O-CD 3.31Å; P40-F42 VanDerWaalsContact C-N 3.28Å; P40-F42 PolarHBondContact O-N 3.41Å |
| 41 | K | 84.1 | Confident | 91.5 | Very high | 167 Ų | 167 | 52.4 Ų | 52.4 | 73% | 0.726 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -26.7 | 176.5 | -65.5 | -173.7 | 177.5 | -176.6 | 0 | 113.8 | N39 | N39-K41 PolarHBondContact O-N 2.9Å; N39-K41 PolarHBondContact OD1-N 3.33Å |
| 42 | F | 87.9 | Confident | 91.5 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.066 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | 10.1 | -176 | -48.5 | -59.5 | 0 | 0 | 0 | 112.6 | V4 L6 P7 E10 I36 N39 P40 E44 H45 | V4-F42 HydrophobicContact CG1-CD1 3.83Å; V4-F42 HydrophobicContact CG1-CE1 3.82Å; L6-F42 HydrophobicContact CD2-CB 4.35Å; L6-F42 HydrophobicContact CD2-CD1 3.85Å; L6-F42 HydrophobicContact CD2-CE1 4.31Å; L6-F42 HydrophobicContact CD2-CG 3.98Å; P7-F42 HydrophobicContact CG-CE1 4.35Å; P7-F42 HydrophobicContact CG-CE2 4.16Å; P7-F42 HydrophobicContact CG-CZ 3.52Å; E10-F42 HydrophobicContact CG-CD2 4.01Å; E10-F42 HydrophobicContact CG-CE2 3.93Å; I36-F42 HydrophobicContact CG2-CB 4.06Å; N39-F42 HydrophobicContact CB-CD2 4.05Å; N39-F42 CarbonylContact O-C 3.59Å; N39-F42 PolarHBondContact O-N 2.98Å; P40-F42 VanDerWaalsContact C-N 3.28Å; P40-F42 PolarHBondContact O-N 3.41Å; F42-E44 PolarHBondContact O-N 3.4Å; F42-E44 VanDerWaalsContact O-N 3.14Å; F42-H45 HydrophobicContact CB-CB 4.12Å; F42-H45 WeakPolarHBondContact O-CB 3.16Å; F42-H45 PolarHBondContact O-N 2.94Å |
| 43 | A | 88 | Confident | 91.5 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 28% | 0.281 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | L37 N39 | L37-A43 WeakPolarHBondContact O-CA 3.43Å; L37-A43 WeakPolarHBondContact O-CB 3.48Å; N39-A43 PolarHBondContact O-N 2.96Å |
| 44 | E | 89.7 | Confident | 91.5 | Very high | 96 Ų | 96 | 46.4 Ų | 46.4 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 17 | 178 | -65.9 | -60.9 | 151.4 | 0 | 0 | 112.9 | F42 G46 K71 N75 | F42-E44 PolarHBondContact O-N 3.4Å; F42-E44 VanDerWaalsContact O-N 3.14Å; E44-G46 PolarHBondContact O-N 2.88Å; E44-G46 VanDerWaalsContact O-N 3.16Å; E44-K71 IonicContact OE1-NZ 3.49Å; E44-K71 PolarHBondContact OE1-NZ 3.11Å; E44-K71 WeakPolarHBondContact OE2-CE 3.47Å; E44-K71 IonicContact OE2-NZ 2.89Å; E44-K71 PolarHBondContact OE2-NZ 3Å; E44-N75 WeakPolarHBondContact O-CB 3.33Å; E44-N75 PolarHBondContact O-ND2 2.98Å; E44-N75 PolarHBondContact OE2-ND2 3.4Å |
| 45 | H | 91.9 | Very high | 91.4 | Very high | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.065 | 21% | 0.209 | C | C | . | . | trans | -63.4 | 116.4 | -179.6 | -179.2 | -107.2 | 0 | 0 | 0 | 111.4 | V4 F42 E47 T48 L49 | V4-H45 PolarHBondContact O-CD2 3.31Å; V4-H45 PolarHBondContact O-NE2 2.87Å; F42-H45 HydrophobicContact CB-CB 4.12Å; F42-H45 WeakPolarHBondContact O-CB 3.16Å; F42-H45 PolarHBondContact O-N 2.94Å; H45-E47 PolarHBondContact O-N 3.27Å; H45-T48 PolarHBondContact ND1-N 3.11Å; H45-T48 PolarHBondContact ND1-OG1 2.89Å; H45-T48 PolarHBondContact O-N 3.43Å; H45-L49 WeakPolarHBondContact O-CG 3.46Å; H45-L49 PolarHBondContact O-N 3.09Å; H45-L49 VanDerWaalsContact O-N 3.07Å | ||
| 46 | G | 91.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.4 | -52.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E44 T48 L49 A50 G72 C82 | E44-G46 PolarHBondContact O-N 2.88Å; E44-G46 VanDerWaalsContact O-N 3.16Å; G46-T48 VanDerWaalsContact C-N 3.33Å; G46-T48 PolarHBondContact O-N 3.44Å; G46-L49 PolarHBondContact O-N 2.71Å; G46-A50 PolarHBondContact O-N 2.99Å; G46-G72 VanDerWaalsContact CA-O 3.28Å; G46-G72 WeakPolarHBondContact CA-O 3.45Å; G46-G72 WeakPolarHBondContact O-CA 3.4Å; G46-C82 VanDerWaalsContact C-SG 3.55Å |
| 47 | E | 92.6 | Very high | 91.4 | Very high | 38 Ų | 38 | 35.5 Ų | 35.5 | 18% | 0.178 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -35.5 | -175.6 | -52.1 | -172.1 | 152.9 | 0 | 0 | 112.3 | F14 H45 A50 M51 S79 V81 | F14-E47 HydrophobicContact CE2-CB 3.91Å; F14-E47 HydrophobicContact CZ-CB 3.67Å; H45-E47 PolarHBondContact O-N 3.27Å; E47-A50 PolarHBondContact O-N 3.2Å; E47-M51 WeakPolarHBondContact O-CB 3.4Å; E47-M51 WeakPolarHBondContact O-CG 3.38Å; E47-M51 PolarHBondContact O-N 3.05Å; E47-S79 WeakPolarHBondContact CG-OG 3.37Å; E47-S79 WeakPolarHBondContact OE1-CB 3.38Å; E47-S79 PolarHBondContact OE1-OG 3.47Å; E47-V81 HydrophobicContact CB-CG1 4.38Å; E47-V81 HydrophobicContact CG-CB 4.23Å |
| 48 | T | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.4 | -38.1 | 177.3 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | I17 C33 I36 L37 H45 G46 A50 K52 | I17-T48 HydrophobicContact CD1-CG2 4.24Å; C33-T48 HydrophobicContact CB-CG2 4.31Å; I36-T48 HydrophobicContact CB-CG2 4.02Å; I36-T48 HydrophobicContact CD1-CG2 4.22Å; I36-T48 HydrophobicContact CG2-CG2 4.05Å; L37-T48 HydrophobicContact CD1-CG2 4.19Å; L37-T48 HydrophobicContact CD2-CG2 3.88Å; L37-T48 HydrophobicContact CG-CG2 3.78Å; H45-T48 PolarHBondContact ND1-N 3.11Å; H45-T48 PolarHBondContact ND1-OG1 2.89Å; H45-T48 PolarHBondContact O-N 3.43Å; G46-T48 VanDerWaalsContact C-N 3.33Å; G46-T48 PolarHBondContact O-N 3.44Å; T48-A50 VanDerWaalsContact C-N 3.35Å; T48-K52 WeakPolarHBondContact O-CB 3.32Å; T48-K52 PolarHBondContact O-N 2.9Å |
| 49 | L | 94.6 | Very high | 91 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 172.1 | -71.3 | 171.7 | 0 | 0 | 0 | 111.3 | L37 H45 G46 K52 G53 F68 K71 N75 | L37-L49 HydrophobicContact CD1-CD2 3.96Å; L37-L49 HydrophobicContact CD2-CD2 3.86Å; L37-L49 HydrophobicContact CD2-CG 3.99Å; H45-L49 WeakPolarHBondContact O-CG 3.46Å; H45-L49 PolarHBondContact O-N 3.09Å; H45-L49 VanDerWaalsContact O-N 3.07Å; G46-L49 PolarHBondContact O-N 2.71Å; L49-K52 WeakPolarHBondContact O-CB 3.46Å; L49-K52 PolarHBondContact O-N 3.38Å; L49-G53 PolarHBondContact O-N 3.04Å; L49-F68 HydrophobicContact CD2-CD1 4.05Å; L49-K71 HydrophobicContact CD1-CD 4.41Å; L49-K71 HydrophobicContact CD1-CG 4.36Å; L49-N75 WeakPolarHBondContact CD1-ND2 3.39Å |
| 50 | A | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -50.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G46 E47 T48 K52 G53 L54 V85 | G46-A50 PolarHBondContact O-N 2.99Å; E47-A50 PolarHBondContact O-N 3.2Å; T48-A50 VanDerWaalsContact C-N 3.35Å; A50-K52 VanDerWaalsContact C-N 3.3Å; A50-K52 PolarHBondContact O-N 3.26Å; A50-G53 PolarHBondContact O-N 2.87Å; A50-G53 VanDerWaalsContact O-N 3.09Å; A50-L54 PolarHBondContact O-N 3.32Å; A50-V85 HydrophobicContact CB-CB 4.15Å; A50-V85 HydrophobicContact CB-CG1 3.93Å; A50-V85 HydrophobicContact CB-CG2 4.48Å; A50-V85 WeakPolarHBondContact O-CG1 3.13Å |
| 51 | M | 93.7 | Very high | 91 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -35.5 | 177.5 | -74.5 | -55.1 | -53.5 | 0 | 0 | 113.2 | F14 I17 L18 Y21 E47 L54 T55 V85 | F14-M51 HydrophobicContact CE2-CB 4.36Å; F14-M51 HydrophobicContact CE2-CG 3.8Å; F14-M51 HydrophobicContact CZ-CG 3.88Å; I17-M51 HydrophobicContact CG2-CB 3.93Å; I17-M51 HydrophobicContact CG2-CE 4.31Å; I17-M51 HydrophobicContact CG2-CG 4.5Å; L18-M51 HydrophobicContact CD2-CE 3.71Å; L18-M51 HydrophobicContact CD2-CG 4.29Å; L18-M51 HydrophobicContact CD2-SD 3.68Å; Y21-M51 HydrophobicContact CG-CE 4.18Å; E47-M51 WeakPolarHBondContact O-CB 3.4Å; E47-M51 WeakPolarHBondContact O-CG 3.38Å; E47-M51 PolarHBondContact O-N 3.05Å; M51-L54 HydrophobicContact CE-CD2 4.32Å; M51-L54 HydrophobicContact SD-CD2 4.38Å; M51-T55 WeakPolarHBondContact O-CB 3.42Å; M51-T55 PolarHBondContact O-N 2.83Å; M51-T55 PolarHBondContact O-OG1 2.91Å; M51-V85 HydrophobicContact SD-CG2 3.67Å |
| 52 | K | 94.6 | Very high | 91.2 | Very high | 54 Ų | 54 | 28.4 Ų | 28.4 | 24% | 0.235 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 172.1 | -177.1 | -172.3 | 174.8 | -165 | 0 | 110.7 | L30 C33 L37 T48 L49 A50 T55 L56 F68 | L30-K52 HydrophobicContact CD2-CG 3.96Å; C33-K52 HydrophobicContact CB-CB 4.08Å; C33-K52 HydrophobicContact CB-CG 4.29Å; L37-K52 HydrophobicContact CD1-CD 3.8Å; T48-K52 WeakPolarHBondContact O-CB 3.32Å; T48-K52 PolarHBondContact O-N 2.9Å; L49-K52 WeakPolarHBondContact O-CB 3.46Å; L49-K52 PolarHBondContact O-N 3.38Å; A50-K52 VanDerWaalsContact C-N 3.3Å; A50-K52 PolarHBondContact O-N 3.26Å; K52-T55 PolarHBondContact O-N 3.04Å; K52-L56 HydrophobicContact CG-CD1 4.2Å; K52-L56 WeakPolarHBondContact O-CG 3.19Å; K52-L56 PolarHBondContact O-N 3.37Å; K52-F68 HydrophobicContact CD-CD1 4.39Å; K52-F68 HydrophobicContact CD-CE1 4.44Å; K52-F68 HydrophobicContact CD-CG 4.49Å |
| 53 | G | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L49 A50 T55 L56 N57 A65 | L49-G53 PolarHBondContact O-N 3.04Å; A50-G53 PolarHBondContact O-N 2.87Å; A50-G53 VanDerWaalsContact O-N 3.09Å; G53-T55 VanDerWaalsContact C-N 3.31Å; G53-T55 PolarHBondContact O-N 3.06Å; G53-L56 WeakPolarHBondContact O-CB 3.43Å; G53-L56 PolarHBondContact O-N 2.87Å; G53-L56 VanDerWaalsContact O-N 3.12Å; G53-N57 PolarHBondContact O-N 3.31Å; G53-A65 WeakPolarHBondContact O-CB 3.44Å |
| 54 | L | 92.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.4 | -42.7 | 175.4 | -173.4 | 59.8 | 0 | 0 | 0 | 112.5 | Y21 A50 M51 L56 N57 C58 V85 L88 | Y21-L54 HydrophobicContact CD1-CD2 4.5Å; Y21-L54 HydrophobicContact CD2-CD2 4.36Å; Y21-L54 HydrophobicContact CD2-CG 4.37Å; Y21-L54 HydrophobicContact CE1-CD2 3.94Å; Y21-L54 HydrophobicContact CE2-CD1 4.43Å; Y21-L54 HydrophobicContact CE2-CD2 3.79Å; Y21-L54 HydrophobicContact CE2-CG 3.64Å; A50-L54 PolarHBondContact O-N 3.32Å; M51-L54 HydrophobicContact CE-CD2 4.32Å; M51-L54 HydrophobicContact SD-CD2 4.38Å; L54-L56 VanDerWaalsContact C-N 3.32Å; L54-L56 PolarHBondContact O-N 3.46Å; L54-N57 WeakPolarHBondContact O-CB 3.18Å; L54-N57 PolarHBondContact O-N 3.37Å; L54-C58 PolarHBondContact O-N 3.39Å; L54-V85 HydrophobicContact CB-CG1 3.74Å; L54-V85 HydrophobicContact CD2-CG1 4.14Å; L54-V85 HydrophobicContact CD2-CG2 4.16Å; L54-V85 HydrophobicContact CG-CG1 4.36Å; L54-L88 HydrophobicContact CD1-CB 4.11Å; L54-L88 HydrophobicContact CD2-CD1 4.02Å |
| 55 | T | 92.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.9 | -35.7 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | Y26 L30 M51 K52 G53 L59 | Y26-T55 HydrophobicContact CD1-CG2 4.08Å; Y26-T55 HydrophobicContact CG-CG2 4.3Å; Y26-T55 WeakPolarHBondContact O-CG2 3.5Å; L30-T55 HydrophobicContact CD2-CG2 3.74Å; L30-T55 HydrophobicContact CG-CG2 3.72Å; M51-T55 WeakPolarHBondContact O-CB 3.42Å; M51-T55 PolarHBondContact O-N 2.83Å; M51-T55 PolarHBondContact O-OG1 2.91Å; K52-T55 PolarHBondContact O-N 3.04Å; G53-T55 VanDerWaalsContact C-N 3.31Å; G53-T55 PolarHBondContact O-N 3.06Å; T55-L59 PolarHBondContact O-N 3.21Å |
| 56 | L | 92.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 33 Ų | 33 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.1 | -35.7 | 174.7 | -73.6 | 168.5 | 0 | 0 | 0 | 112.2 | L30 K52 G53 L54 C58 L59 G60 K61 E64 A65 F68 | L30-L56 HydrophobicContact CD1-CD2 3.95Å; L30-L56 HydrophobicContact CD2-CD2 4.17Å; L30-L56 HydrophobicContact CD2-CG 4.05Å; K52-L56 HydrophobicContact CG-CD1 4.2Å; K52-L56 WeakPolarHBondContact O-CG 3.19Å; K52-L56 PolarHBondContact O-N 3.37Å; G53-L56 WeakPolarHBondContact O-CB 3.43Å; G53-L56 PolarHBondContact O-N 2.87Å; G53-L56 VanDerWaalsContact O-N 3.12Å; L54-L56 VanDerWaalsContact C-N 3.32Å; L54-L56 PolarHBondContact O-N 3.46Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 2.78Å; L56-L59 CarbonylContact O-C 3.21Å; L56-L59 WeakPolarHBondContact O-CA 3.19Å; L56-L59 PolarHBondContact O-N 3.04Å; L56-G60 PolarHBondContact O-N 3.34Å; L56-K61 HydrophobicContact CB-CB 4.28Å; L56-K61 HydrophobicContact CD2-CD 3.81Å; L56-K61 PolarHBondContact O-N 3.21Å; L56-K61 VanDerWaalsContact O-N 3.08Å; L56-E64 HydrophobicContact CD1-CB 4.29Å; L56-A65 HydrophobicContact CB-CB 4.32Å; L56-F68 HydrophobicContact CD1-CD2 3.56Å; L56-F68 HydrophobicContact CD1-CE2 3.86Å |
| 57 | N | 91.6 | Very high | 91.6 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 175.8 | -173.3 | 58.1 | 0 | 0 | 0 | 111.6 | G53 L54 L59 G60 A65 L89 S92 | G53-N57 PolarHBondContact O-N 3.31Å; L54-N57 WeakPolarHBondContact O-CB 3.18Å; L54-N57 PolarHBondContact O-N 3.37Å; N57-L59 PolarHBondContact O-N 2.87Å; N57-G60 PolarHBondContact O-N 3.22Å; N57-A65 HydrophobicContact CB-CB 3.71Å; N57-L89 HydrophobicContact CB-CD1 3.65Å; N57-L89 WeakPolarHBondContact OD1-CD1 3.35Å; N57-S92 PolarHBondContact ND2-OG 2.87Å |
| 58 | C | 87.8 | Confident | 91.7 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.7 | 175.6 | -63.2 | 0 | 0 | 0 | 0 | 114.1 | Y26 L54 L56 | Y26-C58 HydrophobicContact CD1-CB 4Å; Y26-C58 HydrophobicContact CD2-CB 4.09Å; Y26-C58 HydrophobicContact CE1-CB 3.64Å; Y26-C58 HydrophobicContact CE2-CB 3.74Å; Y26-C58 HydrophobicContact CG-CB 4.21Å; Y26-C58 VanDerWaalsContact CZ-CB 3.5Å; L54-C58 PolarHBondContact O-N 3.39Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 2.78Å |
| 59 | L | 88.8 | Confident | 91.7 | Very high | 54 Ų | 54 | 39.4 Ų | 39.4 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 15.3 | 173.5 | -67.4 | 171.2 | 0 | 0 | 0 | 112.3 | Y26 L30 T55 L56 N57 K61 | Y26-L59 HydrophobicContact CD2-CD2 4.15Å; Y26-L59 HydrophobicContact CG-CD2 4.45Å; L30-L59 HydrophobicContact CD1-CD1 3.48Å; L30-L59 VanDerWaalsContact CD1-CD1 3.48Å; L30-L59 HydrophobicContact CG-CD1 4.41Å; T55-L59 PolarHBondContact O-N 3.21Å; L56-L59 CarbonylContact O-C 3.21Å; L56-L59 WeakPolarHBondContact O-CA 3.19Å; L56-L59 PolarHBondContact O-N 3.04Å; N57-L59 PolarHBondContact O-N 2.87Å; L59-K61 VanDerWaalsContact C-N 3.3Å; L59-K61 PolarHBondContact O-N 3.33Å |
| 60 | G | 85.5 | Confident | 91.7 | Very high | 46 Ų | 46 | 45.8 Ų | 45.8 | 47% | 0.474 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -5.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L56 N57 K62 | L56-G60 PolarHBondContact O-N 3.34Å; N57-G60 PolarHBondContact O-N 3.22Å; G60-K62 VanDerWaalsContact C-N 3.35Å; G60-K62 PolarHBondContact O-N 3.38Å |
| 61 | K | 89.9 | Confident | 91.6 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | trans | -86.6 | 67.8 | -176.9 | -66.1 | 179.6 | 157.1 | -131.5 | 0 | 112.5 | L56 L59 E64 A65 | L56-K61 HydrophobicContact CB-CB 4.28Å; L56-K61 HydrophobicContact CD2-CD 3.81Å; L56-K61 PolarHBondContact O-N 3.21Å; L56-K61 VanDerWaalsContact O-N 3.08Å; L59-K61 VanDerWaalsContact C-N 3.3Å; L59-K61 PolarHBondContact O-N 3.33Å; K61-E64 HydrophobicContact CB-CB 4.4Å; K61-E64 IonicContact NZ-OE1 3.97Å; K61-E64 PolarHBondContact NZ-OE1 3.05Å; K61-E64 IonicContact NZ-OE2 2.82Å; K61-E64 PolarHBondContact NZ-OE2 2.8Å; K61-A65 WeakPolarHBondContact O-CB 3.18Å; K61-A65 PolarHBondContact O-N 3.47Å | ||
| 62 | K | 87.3 | Confident | 91.6 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.3 | -47.7 | -172.8 | -64 | -161.5 | 172.2 | -162.3 | 0 | 114.3 | G60 A65 Y66 D93 | G60-K62 VanDerWaalsContact C-N 3.35Å; G60-K62 PolarHBondContact O-N 3.38Å; K62-A65 WeakPolarHBondContact O-CB 3.34Å; K62-A65 PolarHBondContact O-N 2.94Å; K62-A65 VanDerWaalsContact O-N 3.15Å; K62-Y66 WeakPolarHBondContact O-CD2 3.35Å; K62-Y66 PolarHBondContact O-N 3.11Å; K62-D93 IonicContact NZ-OD1 3.68Å; K62-D93 PolarHBondContact NZ-OD1 3.44Å |
| 63 | E | 87.8 | Confident | 91.5 | Very high | 161 Ų | 161 | 47.2 Ų | 47.2 | 75% | 0.752 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.1 | -48 | -177.7 | -66.5 | -56.6 | 141.1 | 0 | 0 | 112 | A65 Y66 E67 | E63-A65 VanDerWaalsContact C-N 3.27Å; E63-A65 PolarHBondContact O-N 3.48Å; E63-Y66 PolarHBondContact O-N 2.85Å; E63-E67 PolarHBondContact O-N 3.46Å; E63-E67 VanDerWaalsContact O-N 3.16Å |
| 64 | E | 91.6 | Very high | 91.4 | Very high | 74 Ų | 74 | 56.2 Ų | 56.2 | 35% | 0.346 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 174.4 | -64.9 | -178.2 | -144.5 | 0 | 0 | 111.1 | L56 K61 E67 F68 | L56-E64 HydrophobicContact CD1-CB 4.29Å; K61-E64 HydrophobicContact CB-CB 4.4Å; K61-E64 IonicContact NZ-OE1 3.97Å; K61-E64 PolarHBondContact NZ-OE1 3.05Å; K61-E64 IonicContact NZ-OE2 2.82Å; K61-E64 PolarHBondContact NZ-OE2 2.8Å; E64-E67 PolarHBondContact O-N 3.06Å; E64-F68 WeakPolarHBondContact O-CD2 3.37Å; E64-F68 PolarHBondContact O-N 3.04Å |
| 65 | A | 92.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G53 L56 N57 K61 K62 E63 E67 F68 V69 L89 | G53-A65 WeakPolarHBondContact O-CB 3.44Å; L56-A65 HydrophobicContact CB-CB 4.32Å; N57-A65 HydrophobicContact CB-CB 3.71Å; K61-A65 WeakPolarHBondContact O-CB 3.18Å; K61-A65 PolarHBondContact O-N 3.47Å; K62-A65 WeakPolarHBondContact O-CB 3.34Å; K62-A65 PolarHBondContact O-N 2.94Å; K62-A65 VanDerWaalsContact O-N 3.15Å; E63-A65 VanDerWaalsContact C-N 3.27Å; E63-A65 PolarHBondContact O-N 3.48Å; A65-E67 VanDerWaalsContact C-N 3.33Å; A65-E67 PolarHBondContact O-N 3.28Å; A65-F68 PolarHBondContact O-N 2.73Å; A65-V69 WeakPolarHBondContact O-CB 3.43Å; A65-V69 VanDerWaalsContact O-CG2 3.3Å; A65-V69 WeakPolarHBondContact O-CG2 3.38Å; A65-V69 PolarHBondContact O-N 3.05Å; A65-L89 HydrophobicContact CB-CD1 4.26Å |
| 66 | Y | 92.3 | Very high | 91.2 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 177.7 | -90.3 | -78.2 | 0 | 0 | 0 | 112.7 | K62 E63 R70 Y86 L89 D93 | K62-Y66 WeakPolarHBondContact O-CD2 3.35Å; K62-Y66 PolarHBondContact O-N 3.11Å; E63-Y66 PolarHBondContact O-N 2.85Å; Y66-R70 VanDerWaalsContact O-CB 3.27Å; Y66-R70 WeakPolarHBondContact O-CB 3.47Å; Y66-R70 VanDerWaalsContact O-CG 3.24Å; Y66-R70 WeakPolarHBondContact O-CG 3.43Å; Y66-R70 PolarHBondContact O-N 3.09Å; Y66-Y86 HydrophobicContact CD1-CE2 4.35Å; Y66-Y86 HydrophobicContact CE1-CE2 4.27Å; Y66-L89 HydrophobicContact CD1-CD2 3.65Å; Y66-L89 HydrophobicContact CD1-CG 4.45Å; Y66-L89 HydrophobicContact CD2-CD2 4.05Å; Y66-L89 HydrophobicContact CD2-CG 4.48Å; Y66-L89 HydrophobicContact CE1-CD2 3.72Å; Y66-L89 HydrophobicContact CE1-CG 4.05Å; Y66-L89 HydrophobicContact CE2-CD1 4.31Å; Y66-L89 HydrophobicContact CE2-CD2 4.1Å; Y66-L89 HydrophobicContact CE2-CG 4.07Å; Y66-L89 HydrophobicContact CG-CD2 3.84Å; Y66-D93 WeakPolarHBondContact CE2-OD2 3.26Å; Y66-D93 PolarHBondContact OH-OD2 2.84Å |
| 67 | E | 93.4 | Very high | 91.1 | Very high | 133 Ų | 133 | 62.2 Ų | 62.2 | 62% | 0.621 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.8 | -51.9 | 177.2 | -169 | -175.2 | 170.3 | 0 | 0 | 111.1 | E63 E64 A65 V69 R70 K71 | E63-E67 PolarHBondContact O-N 3.46Å; E63-E67 VanDerWaalsContact O-N 3.16Å; E64-E67 PolarHBondContact O-N 3.06Å; A65-E67 VanDerWaalsContact C-N 3.33Å; A65-E67 PolarHBondContact O-N 3.28Å; E67-V69 PolarHBondContact O-N 3.05Å; E67-R70 PolarHBondContact O-N 3.04Å; E67-K71 VanDerWaalsContact O-CB 3.28Å; E67-K71 WeakPolarHBondContact O-CB 3.49Å; E67-K71 PolarHBondContact O-N 2.63Å |
| 68 | F | 94.6 | Very high | 91 | Very high | 42 Ų | 42 | 69.4 Ų | 69.4 | 18% | 0.184 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | -179.2 | -77.4 | -61.9 | 0 | 0 | 0 | 113 | L49 K52 L56 E64 A65 K71 G72 | L49-F68 HydrophobicContact CD2-CD1 4.05Å; K52-F68 HydrophobicContact CD-CD1 4.39Å; K52-F68 HydrophobicContact CD-CE1 4.44Å; K52-F68 HydrophobicContact CD-CG 4.49Å; L56-F68 HydrophobicContact CD1-CD2 3.56Å; L56-F68 HydrophobicContact CD1-CE2 3.86Å; E64-F68 WeakPolarHBondContact O-CD2 3.37Å; E64-F68 PolarHBondContact O-N 3.04Å; A65-F68 PolarHBondContact O-N 2.73Å; F68-K71 PolarHBondContact O-N 3.3Å; F68-G72 PolarHBondContact O-N 3.4Å |
| 69 | V | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 177.3 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | A65 E67 K71 G72 L73 V85 Y86 L89 | A65-V69 WeakPolarHBondContact O-CB 3.43Å; A65-V69 VanDerWaalsContact O-CG2 3.3Å; A65-V69 WeakPolarHBondContact O-CG2 3.38Å; A65-V69 PolarHBondContact O-N 3.05Å; E67-V69 PolarHBondContact O-N 3.05Å; V69-K71 VanDerWaalsContact C-N 3.32Å; V69-K71 PolarHBondContact O-N 3.37Å; V69-G72 PolarHBondContact O-N 3.32Å; V69-L73 WeakPolarHBondContact O-CB 3.35Å; V69-L73 PolarHBondContact O-N 3.2Å; V69-V85 HydrophobicContact CG1-CG1 4.27Å; V69-V85 HydrophobicContact CG2-CG1 3.98Å; V69-Y86 HydrophobicContact CG1-CD2 3.58Å; V69-Y86 HydrophobicContact CG1-CG 4.05Å; V69-L89 HydrophobicContact CB-CD2 4.04Å; V69-L89 HydrophobicContact CG1-CD2 4.36Å; V69-L89 HydrophobicContact CG2-CD2 3.96Å |
| 70 | R | 93.8 | Very high | 91.2 | Very high | 139 Ų | 139 | 67.9 Ų | 67.9 | 53% | 0.525 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 176 | -74.6 | 177 | 177.8 | 173.1 | 3.4 | 111.9 | Y66 E67 R74 Y86 | Y66-R70 VanDerWaalsContact O-CB 3.27Å; Y66-R70 WeakPolarHBondContact O-CB 3.47Å; Y66-R70 VanDerWaalsContact O-CG 3.24Å; Y66-R70 WeakPolarHBondContact O-CG 3.43Å; Y66-R70 PolarHBondContact O-N 3.09Å; E67-R70 PolarHBondContact O-N 3.04Å; R70-R74 WeakPolarHBondContact O-CB 3.41Å; R70-R74 PolarHBondContact O-N 3.22Å; R70-Y86 HydrophobicContact CG-CE2 4.27Å |
| 71 | K | 93.5 | Very high | 91.5 | Very high | 71 Ų | 71 | 66.8 Ų | 66.8 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 175.1 | -165.9 | -177.7 | -174 | -156.7 | 0 | 111.3 | E44 L49 E67 F68 V69 L73 R74 N75 | E44-K71 IonicContact OE1-NZ 3.49Å; E44-K71 PolarHBondContact OE1-NZ 3.11Å; E44-K71 WeakPolarHBondContact OE2-CE 3.47Å; E44-K71 IonicContact OE2-NZ 2.89Å; E44-K71 PolarHBondContact OE2-NZ 3Å; L49-K71 HydrophobicContact CD1-CD 4.41Å; L49-K71 HydrophobicContact CD1-CG 4.36Å; E67-K71 VanDerWaalsContact O-CB 3.28Å; E67-K71 WeakPolarHBondContact O-CB 3.49Å; E67-K71 PolarHBondContact O-N 2.63Å; F68-K71 PolarHBondContact O-N 3.3Å; V69-K71 VanDerWaalsContact C-N 3.32Å; V69-K71 PolarHBondContact O-N 3.37Å; K71-L73 VanDerWaalsContact C-N 3.35Å; K71-L73 PolarHBondContact O-N 3.32Å; K71-R74 PolarHBondContact O-N 2.95Å; K71-N75 VanDerWaalsContact O-CG 3.3Å; K71-N75 PolarHBondContact O-N 3.18Å |
| 72 | G | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58 | -46.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G46 F68 V69 R74 N75 D76 | G46-G72 VanDerWaalsContact CA-O 3.28Å; G46-G72 WeakPolarHBondContact CA-O 3.45Å; G46-G72 WeakPolarHBondContact O-CA 3.4Å; F68-G72 PolarHBondContact O-N 3.4Å; V69-G72 PolarHBondContact O-N 3.32Å; G72-R74 PolarHBondContact O-N 2.97Å; G72-N75 PolarHBondContact O-N 3.43Å; G72-D76 PolarHBondContact O-N 3.42Å |
| 73 | L | 92.5 | Very high | 92 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 176.2 | -176.8 | 63.1 | 0 | 0 | 0 | 112.8 | V69 K71 N75 D76 V77 C82 W83 Y86 | V69-L73 WeakPolarHBondContact O-CB 3.35Å; V69-L73 PolarHBondContact O-N 3.2Å; K71-L73 VanDerWaalsContact C-N 3.35Å; K71-L73 PolarHBondContact O-N 3.32Å; L73-N75 VanDerWaalsContact C-N 3.28Å; L73-N75 PolarHBondContact O-N 2.9Å; L73-D76 CarbonylContact O-C 3.36Å; L73-D76 PolarHBondContact O-N 3.43Å; L73-V77 WeakPolarHBondContact O-CA 3.37Å; L73-V77 WeakPolarHBondContact O-CG2 3.38Å; L73-V77 PolarHBondContact O-N 3.26Å; L73-V77 VanDerWaalsContact O-N 3.12Å; L73-C82 HydrophobicContact CB-CB 4.41Å; L73-C82 HydrophobicContact CD1-CB 3.72Å; L73-W83 HydrophobicContact CD1-CD2 3.73Å; L73-W83 HydrophobicContact CD1-CE3 4.26Å; L73-W83 HydrophobicContact CD1-CG 3.95Å; L73-W83 HydrophobicContact CD1-CZ2 4.11Å; L73-W83 HydrophobicContact CD2-CD2 4.31Å; L73-W83 HydrophobicContact CD2-CE3 4.01Å; L73-W83 HydrophobicContact CD2-CH2 3.96Å; L73-W83 HydrophobicContact CD2-CZ2 4.25Å; L73-W83 HydrophobicContact CD2-CZ3 3.83Å; L73-Y86 HydrophobicContact CD2-CD1 3.96Å; L73-Y86 HydrophobicContact CD2-CG 4.41Å |
| 74 | R | 93.3 | Very high | 92.4 | Very high | 190 Ų | 190 | 55.1 Ų | 55.1 | 72% | 0.717 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.7 | -38.1 | 175.7 | -174.1 | -176.8 | -64.2 | 169.3 | 0.1 | 111.7 | R70 K71 G72 | R70-R74 WeakPolarHBondContact O-CB 3.41Å; R70-R74 PolarHBondContact O-N 3.22Å; K71-R74 PolarHBondContact O-N 2.95Å; G72-R74 PolarHBondContact O-N 2.97Å |
| 75 | N | 90.6 | Very high | 92.5 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.214 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75.1 | -28.9 | 179.8 | -67.6 | -8.6 | 0 | 0 | 0 | 112.1 | E44 L49 K71 G72 L73 | E44-N75 WeakPolarHBondContact O-CB 3.33Å; E44-N75 PolarHBondContact O-ND2 2.98Å; E44-N75 PolarHBondContact OE2-ND2 3.4Å; L49-N75 WeakPolarHBondContact CD1-ND2 3.39Å; K71-N75 VanDerWaalsContact O-CG 3.3Å; K71-N75 PolarHBondContact O-N 3.18Å; G72-N75 PolarHBondContact O-N 3.43Å; L73-N75 VanDerWaalsContact C-N 3.28Å; L73-N75 PolarHBondContact O-N 2.9Å |
| 76 | D | 88.7 | Confident | 92.6 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | trans | -142 | 85.7 | 174.6 | -167.4 | -2.3 | 0 | 0 | 0 | 113.6 | N3 G72 L73 K78 S79 | N3-D76 PolarHBondContact OD1-OD2 3.42Å; G72-D76 PolarHBondContact O-N 3.42Å; L73-D76 CarbonylContact O-C 3.36Å; L73-D76 PolarHBondContact O-N 3.43Å; D76-K78 PolarHBondContact O-N 2.8Å; D76-K78 PolarHBondContact OD1-N 3.33Å; D76-K78 VanDerWaalsContact OD1-N 3.15Å; D76-S79 VanDerWaalsContact CG-CB 3.49Å; D76-S79 PolarHBondContact OD1-N 3.04Å; D76-S79 VanDerWaalsContact OD1-N 3.14Å; D76-S79 VanDerWaalsContact OD2-CB 3.23Å; D76-S79 WeakPolarHBondContact OD2-CB 3.36Å | ||
| 77 | V | 90.1 | Very high | 92.7 | Very high | 83 Ų | 83 | 52.3 Ų | 52.3 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -17 | 178.8 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | L73 W83 | L73-V77 WeakPolarHBondContact O-CA 3.37Å; L73-V77 WeakPolarHBondContact O-CG2 3.38Å; L73-V77 PolarHBondContact O-N 3.26Å; L73-V77 VanDerWaalsContact O-N 3.12Å; V77-W83 HydrophobicContact CG1-CZ2 4.23Å; V77-W83 PolarHBondContact O-NE1 3.04Å |
| 78 | K | 89.6 | Confident | 92.7 | Very high | 170 Ų | 170 | 47 Ų | 47 | 74% | 0.739 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 5.4 | -178.3 | -66.8 | -172.5 | 178.9 | -174.6 | 0 | 112.8 | D76 L109 | D76-K78 PolarHBondContact O-N 2.8Å; D76-K78 PolarHBondContact OD1-N 3.33Å; D76-K78 VanDerWaalsContact OD1-N 3.15Å; K78-L109 HydrophobicContact CB-CD2 4.44Å; K78-L109 WeakPolarHBondContact O-CD1 3.36Å |
| 79 | S | 90.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | trans | -87.4 | 124.8 | 171.2 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | E47 D76 V81 C82 W83 | E47-S79 WeakPolarHBondContact CG-OG 3.37Å; E47-S79 WeakPolarHBondContact OE1-CB 3.38Å; E47-S79 PolarHBondContact OE1-OG 3.47Å; D76-S79 VanDerWaalsContact CG-CB 3.49Å; D76-S79 PolarHBondContact OD1-N 3.04Å; D76-S79 VanDerWaalsContact OD1-N 3.14Å; D76-S79 VanDerWaalsContact OD2-CB 3.23Å; D76-S79 WeakPolarHBondContact OD2-CB 3.36Å; S79-V81 PolarHBondContact O-N 3.37Å; S79-V81 WeakPolarHBondContact OG-CB 3.43Å; S79-V81 PolarHBondContact OG-N 3.13Å; S79-V81 VanDerWaalsContact OG-N 3.09Å; S79-C82 PolarHBondContact O-N 3.28Å; S79-C82 PolarHBondContact OG-N 3.03Å; S79-W83 PolarHBondContact O-N 3.43Å | ||
| 80 | H | 91.6 | Very high | 92.6 | Very high | 55 Ų | 55 | 45.4 Ų | 45.4 | 26% | 0.255 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.6 | -30.3 | 171.2 | 72.2 | -84.4 | 0 | 0 | 0 | 111.5 | W83 H84 A106 L109 D110 | H80-W83 PolarHBondContact O-N 3.41Å; H80-H84 VanDerWaalsContact O-CB 3.29Å; H80-H84 WeakPolarHBondContact O-CB 3.4Å; H80-H84 PolarHBondContact O-N 3.5Å; H80-A106 HydrophobicContact CB-CB 4.35Å; H80-L109 HydrophobicContact CB-CB 4.14Å; H80-D110 HydrophobicContact CB-CB 3.98Å; H80-D110 IonicContact CD2-OD2 3.79Å; H80-D110 IonicContact NE2-OD2 3.05Å |
| 81 | V | 91.1 | Very high | 92.5 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 14% | 0.139 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -46.5 | 178.9 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | F14 E47 S79 W83 H84 V85 | F14-V81 HydrophobicContact CZ-CG1 4.39Å; E47-V81 HydrophobicContact CB-CG1 4.38Å; E47-V81 HydrophobicContact CG-CB 4.23Å; S79-V81 PolarHBondContact O-N 3.37Å; S79-V81 WeakPolarHBondContact OG-CB 3.43Å; S79-V81 PolarHBondContact OG-N 3.13Å; S79-V81 VanDerWaalsContact OG-N 3.09Å; V81-W83 VanDerWaalsContact C-N 3.33Å; V81-W83 PolarHBondContact O-N 3.14Å; V81-H84 PolarHBondContact O-N 3.3Å; V81-V85 HydrophobicContact CG1-CG2 4.21Å; V81-V85 WeakPolarHBondContact O-CB 3.26Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.41Å; V81-V85 PolarHBondContact O-N 3.4Å |
| 82 | C | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 177.5 | -71.7 | 0 | 0 | 0 | 0 | 112 | G46 L73 S79 Y86 | G46-C82 VanDerWaalsContact C-SG 3.55Å; L73-C82 HydrophobicContact CB-CB 4.41Å; L73-C82 HydrophobicContact CD1-CB 3.72Å; S79-C82 PolarHBondContact O-N 3.28Å; S79-C82 PolarHBondContact OG-N 3.03Å; C82-Y86 WeakPolarHBondContact O-CB 3.4Å; C82-Y86 PolarHBondContact O-N 3.35Å |
| 83 | W | 95.8 | Very high | 92.2 | Very high | 46 Ų | 46 | 42.5 Ų | 42.5 | 17% | 0.174 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.5 | -41.9 | 176.4 | -78.3 | 110.5 | 0 | 0 | 0 | 112.7 | L73 V77 S79 H80 V81 Y86 G87 C102 N105 A106 | L73-W83 HydrophobicContact CD1-CD2 3.73Å; L73-W83 HydrophobicContact CD1-CE3 4.26Å; L73-W83 HydrophobicContact CD1-CG 3.95Å; L73-W83 HydrophobicContact CD1-CZ2 4.11Å; L73-W83 HydrophobicContact CD2-CD2 4.31Å; L73-W83 HydrophobicContact CD2-CE3 4.01Å; L73-W83 HydrophobicContact CD2-CH2 3.96Å; L73-W83 HydrophobicContact CD2-CZ2 4.25Å; L73-W83 HydrophobicContact CD2-CZ3 3.83Å; V77-W83 HydrophobicContact CG1-CZ2 4.23Å; V77-W83 PolarHBondContact O-NE1 3.04Å; S79-W83 PolarHBondContact O-N 3.43Å; H80-W83 PolarHBondContact O-N 3.41Å; V81-W83 VanDerWaalsContact C-N 3.33Å; V81-W83 PolarHBondContact O-N 3.14Å; W83-Y86 HydrophobicContact CZ3-CD1 4.41Å; W83-Y86 PolarHBondContact O-N 3.34Å; W83-G87 PolarHBondContact O-N 3.02Å; W83-C102 HydrophobicContact CE3-CB 4.3Å; W83-N105 HydrophobicContact CD2-CB 3.73Å; W83-N105 HydrophobicContact CE3-CB 3.95Å; W83-N105 HydrophobicContact CG-CB 4.09Å; W83-N105 HydrophobicContact CZ2-CB 4.38Å; W83-N105 HydrophobicContact CZ3-CB 4.37Å; W83-A106 HydrophobicContact CB-CB 3.68Å |
| 84 | H | 94.5 | Very high | 92.1 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -47 | 177.1 | -178.8 | -143.6 | 0 | 0 | 0 | 111.1 | H80 V81 Y86 G87 L88 Y103 I116 D119 | H80-H84 VanDerWaalsContact O-CB 3.29Å; H80-H84 WeakPolarHBondContact O-CB 3.4Å; H80-H84 PolarHBondContact O-N 3.5Å; V81-H84 PolarHBondContact O-N 3.3Å; H84-Y86 VanDerWaalsContact C-N 3.33Å; H84-Y86 PolarHBondContact O-N 2.84Å; H84-G87 PolarHBondContact O-N 2.53Å; H84-G87 VanDerWaalsContact O-N 3.14Å; H84-L88 WeakPolarHBondContact O-CG 3.44Å; H84-L88 PolarHBondContact O-N 2.89Å; H84-Y103 AromaticContact CD2-CD1 3.88Å; H84-Y103 AromaticContact CD2-CE1 3.49Å; H84-Y103 VanDerWaalsContact CD2-CE1 3.49Å; H84-Y103 WeakPolarHBondContact CD2-CE1 3.29Å; H84-I116 HydrophobicContact CB-CD1 4Å; H84-I116 HydrophobicContact CB-CG1 4.22Å; H84-D119 IonicContact CE1-OD2 2.67Å; H84-D119 IonicContact NE2-OD2 2.86Å; H84-D119 PolarHBondContact NE2-OD2 3.37Å |
| 85 | V | 94.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.4 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | A50 M51 L54 V69 V81 G87 L88 L89 | A50-V85 HydrophobicContact CB-CB 4.15Å; A50-V85 HydrophobicContact CB-CG1 3.93Å; A50-V85 HydrophobicContact CB-CG2 4.48Å; A50-V85 WeakPolarHBondContact O-CG1 3.13Å; M51-V85 HydrophobicContact SD-CG2 3.67Å; L54-V85 HydrophobicContact CB-CG1 3.74Å; L54-V85 HydrophobicContact CD2-CG1 4.14Å; L54-V85 HydrophobicContact CD2-CG2 4.16Å; L54-V85 HydrophobicContact CG-CG1 4.36Å; V69-V85 HydrophobicContact CG1-CG1 4.27Å; V69-V85 HydrophobicContact CG2-CG1 3.98Å; V81-V85 HydrophobicContact CG1-CG2 4.21Å; V81-V85 WeakPolarHBondContact O-CB 3.26Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.41Å; V81-V85 PolarHBondContact O-N 3.4Å; V85-G87 VanDerWaalsContact C-N 3.32Å; V85-G87 PolarHBondContact O-N 3.15Å; V85-L88 PolarHBondContact O-N 2.98Å; V85-L89 PolarHBondContact O-N 3.41Å |
| 86 | Y | 95 | Very high | 92.2 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 14% | 0.137 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 175.5 | -170.4 | -134.4 | 0 | 0 | 0 | 112 | Y66 V69 R70 L73 C82 W83 H84 L89 Q90 C102 | Y66-Y86 HydrophobicContact CD1-CE2 4.35Å; Y66-Y86 HydrophobicContact CE1-CE2 4.27Å; V69-Y86 HydrophobicContact CG1-CD2 3.58Å; V69-Y86 HydrophobicContact CG1-CG 4.05Å; R70-Y86 HydrophobicContact CG-CE2 4.27Å; L73-Y86 HydrophobicContact CD2-CD1 3.96Å; L73-Y86 HydrophobicContact CD2-CG 4.41Å; C82-Y86 WeakPolarHBondContact O-CB 3.4Å; C82-Y86 PolarHBondContact O-N 3.35Å; W83-Y86 HydrophobicContact CZ3-CD1 4.41Å; W83-Y86 PolarHBondContact O-N 3.34Å; H84-Y86 VanDerWaalsContact C-N 3.33Å; H84-Y86 PolarHBondContact O-N 2.84Å; Y86-L89 PolarHBondContact O-N 2.95Å; Y86-Q90 HydrophobicContact CE2-CG 4.35Å; Y86-Q90 VanDerWaalsContact CZ-NE2 3.29Å; Y86-Q90 VanDerWaalsContact O-CG 3.31Å; Y86-Q90 WeakPolarHBondContact O-CG 3.31Å; Y86-Q90 PolarHBondContact O-N 3.37Å; Y86-Q90 PolarHBondContact OH-NE2 2.99Å; Y86-Q90 VanDerWaalsContact OH-NE2 3.1Å; Y86-C102 WeakPolarHBondContact CD1-SG 3.37Å |
| 87 | G | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W83 H84 V85 L89 Q90 R91 A99 | W83-G87 PolarHBondContact O-N 3.02Å; H84-G87 PolarHBondContact O-N 2.53Å; H84-G87 VanDerWaalsContact O-N 3.14Å; V85-G87 VanDerWaalsContact C-N 3.32Å; V85-G87 PolarHBondContact O-N 3.15Å; G87-L89 VanDerWaalsContact C-N 3.31Å; G87-L89 PolarHBondContact O-N 3.5Å; G87-Q90 PolarHBondContact O-N 2.7Å; G87-R91 WeakPolarHBondContact O-CB 3.46Å; G87-R91 PolarHBondContact O-N 3.14Å; G87-A99 WeakPolarHBondContact O-CB 3.32Å |
| 88 | L | 93.1 | Very high | 92.7 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -39.3 | 175.4 | -70.8 | 170.9 | 0 | 0 | 0 | 111.9 | L54 H84 V85 R91 S92 Y103 | L54-L88 HydrophobicContact CD1-CB 4.11Å; L54-L88 HydrophobicContact CD2-CD1 4.02Å; H84-L88 WeakPolarHBondContact O-CG 3.44Å; H84-L88 PolarHBondContact O-N 2.89Å; V85-L88 PolarHBondContact O-N 2.98Å; L88-R91 VanDerWaalsContact CD2-NH2 3.28Å; L88-R91 PolarHBondContact O-N 3.23Å; L88-S92 PolarHBondContact O-N 2.89Å; L88-Y103 WeakPolarHBondContact CD2-OH 3.2Å |
| 89 | L | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.4 | -50 | 176 | -176.2 | 63.5 | 0 | 0 | 0 | 111.2 | N57 A65 Y66 V69 V85 Y86 G87 R91 S92 D93 | N57-L89 HydrophobicContact CB-CD1 3.65Å; N57-L89 WeakPolarHBondContact OD1-CD1 3.35Å; A65-L89 HydrophobicContact CB-CD1 4.26Å; Y66-L89 HydrophobicContact CD1-CD2 3.65Å; Y66-L89 HydrophobicContact CD1-CG 4.45Å; Y66-L89 HydrophobicContact CD2-CD2 4.05Å; Y66-L89 HydrophobicContact CD2-CG 4.48Å; Y66-L89 HydrophobicContact CE1-CD2 3.72Å; Y66-L89 HydrophobicContact CE1-CG 4.05Å; Y66-L89 HydrophobicContact CE2-CD1 4.31Å; Y66-L89 HydrophobicContact CE2-CD2 4.1Å; Y66-L89 HydrophobicContact CE2-CG 4.07Å; Y66-L89 HydrophobicContact CG-CD2 3.84Å; V69-L89 HydrophobicContact CB-CD2 4.04Å; V69-L89 HydrophobicContact CG1-CD2 4.36Å; V69-L89 HydrophobicContact CG2-CD2 3.96Å; V85-L89 PolarHBondContact O-N 3.41Å; Y86-L89 PolarHBondContact O-N 2.95Å; G87-L89 VanDerWaalsContact C-N 3.31Å; G87-L89 PolarHBondContact O-N 3.5Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.37Å; L89-S92 PolarHBondContact O-N 3.45Å; L89-S92 VanDerWaalsContact O-N 3.12Å; L89-S92 PolarHBondContact O-OG 3.02Å; L89-D93 PolarHBondContact O-N 3.29Å |
| 90 | Q | 92.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 36 Ų | 36 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 176.7 | -65.7 | -68.9 | -9.8 | 0 | 0 | 111.9 | Y86 G87 S92 D93 K94 K95 E98 A99 | Y86-Q90 HydrophobicContact CE2-CG 4.35Å; Y86-Q90 VanDerWaalsContact CZ-NE2 3.29Å; Y86-Q90 VanDerWaalsContact O-CG 3.31Å; Y86-Q90 WeakPolarHBondContact O-CG 3.31Å; Y86-Q90 PolarHBondContact O-N 3.37Å; Y86-Q90 PolarHBondContact OH-NE2 2.99Å; Y86-Q90 VanDerWaalsContact OH-NE2 3.1Å; G87-Q90 PolarHBondContact O-N 2.7Å; Q90-S92 VanDerWaalsContact C-N 3.34Å; Q90-S92 PolarHBondContact O-N 3.05Å; Q90-D93 CarbonylContact O-C 3.52Å; Q90-D93 PolarHBondContact O-N 3.26Å; Q90-K94 PolarHBondContact O-N 2.57Å; Q90-K95 HydrophobicContact CB-CB 4.38Å; Q90-K95 PolarHBondContact O-N 3.19Å; Q90-E98 HydrophobicContact CB-CB 4.38Å; Q90-E98 HydrophobicContact CG-CB 4.21Å; Q90-A99 HydrophobicContact CB-CB 3.99Å |
| 91 | R | 92.5 | Very high | 93.5 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 23% | 0.226 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 174.6 | -176.1 | -178.6 | 74.7 | -178.7 | 3.5 | 111.8 | G87 L88 L89 D93 K94 Y96 A99 D119 L123 | G87-R91 WeakPolarHBondContact O-CB 3.46Å; G87-R91 PolarHBondContact O-N 3.14Å; L88-R91 VanDerWaalsContact CD2-NH2 3.28Å; L88-R91 PolarHBondContact O-N 3.23Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.37Å; R91-D93 PolarHBondContact O-N 2.79Å; R91-K94 WeakPolarHBondContact O-CA 3.42Å; R91-K94 PolarHBondContact O-N 2.8Å; R91-Y96 HydrophobicContact CG-CD1 4.25Å; R91-Y96 HydrophobicContact CG-CE1 3.99Å; R91-A99 HydrophobicContact CB-CB 4.14Å; R91-D119 IonicContact NH1-OD1 2.92Å; R91-D119 PolarHBondContact NH1-OD1 2.83Å; R91-L123 HydrophobicContact CG-CD2 3.9Å |
| 92 | S | 89.8 | Confident | 93.7 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 37% | 0.371 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.1 | -22.4 | 178.3 | 73.9 | 0 | 0 | 0 | 0 | 113.6 | N57 L88 L89 Q90 K94 | N57-S92 PolarHBondContact ND2-OG 2.87Å; L88-S92 PolarHBondContact O-N 2.89Å; L89-S92 PolarHBondContact O-N 3.45Å; L89-S92 VanDerWaalsContact O-N 3.12Å; L89-S92 PolarHBondContact O-OG 3.02Å; Q90-S92 VanDerWaalsContact C-N 3.34Å; Q90-S92 PolarHBondContact O-N 3.05Å; S92-K94 VanDerWaalsContact C-N 3.34Å |
| 93 | D | 88.4 | Confident | 93.9 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 19% | 0.193 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 12.5 | 172 | -75.1 | -17.4 | 0 | 0 | 0 | 113.1 | K62 Y66 L89 Q90 R91 K95 | K62-D93 IonicContact NZ-OD1 3.68Å; K62-D93 PolarHBondContact NZ-OD1 3.44Å; Y66-D93 WeakPolarHBondContact CE2-OD2 3.26Å; Y66-D93 PolarHBondContact OH-OD2 2.84Å; L89-D93 PolarHBondContact O-N 3.29Å; Q90-D93 CarbonylContact O-C 3.52Å; Q90-D93 PolarHBondContact O-N 3.26Å; R91-D93 PolarHBondContact O-N 2.79Å; D93-K95 HydrophobicContact CB-CD 4.3Å; D93-K95 HydrophobicContact CB-CG 4.45Å; D93-K95 PolarHBondContact O-N 3.18Å; D93-K95 VanDerWaalsContact O-N 3.14Å |
| 94 | K | 91.3 | Very high | 93.8 | Very high | 75 Ų | 75 | 41 Ų | 41 | 33% | 0.326 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 22 | 178.5 | -48.9 | 177.3 | -178.8 | -142.9 | 0 | 113.5 | Q90 R91 S92 Y96 F516 D520 | Q90-K94 PolarHBondContact O-N 2.57Å; R91-K94 WeakPolarHBondContact O-CA 3.42Å; R91-K94 PolarHBondContact O-N 2.8Å; S92-K94 VanDerWaalsContact C-N 3.34Å; K94-Y96 VanDerWaalsContact C-N 3.31Å; K94-Y96 PolarHBondContact O-N 3.42Å; K94-F516 HydrophobicContact CB-CZ 4.03Å; K94-F516 HydrophobicContact CD-CE1 3.52Å; K94-F516 HydrophobicContact CD-CZ 3.82Å; K94-D520 WeakPolarHBondContact CD-OD1 3.2Å; K94-D520 WeakPolarHBondContact CD-OD2 3.38Å; K94-D520 WeakPolarHBondContact CE-OD2 3.48Å; K94-D520 VanDerWaalsContact NZ-CG 3.29Å; K94-D520 IonicContact NZ-OD1 3.3Å; K94-D520 IonicContact NZ-OD2 2.67Å; K94-D520 PolarHBondContact NZ-OD2 3.44Å |
| 95 | K | 92.5 | Very high | 93.8 | Very high | 104 Ų | 104 | 41.8 Ų | 41.8 | 45% | 0.452 | 19% | 0.194 | S | C | . | . | trans | -89.6 | 67.7 | 174.7 | -67.3 | 169.7 | -177.2 | 165.9 | 0 | 109.8 | Q90 D93 D97 E98 A99 | Q90-K95 HydrophobicContact CB-CB 4.38Å; Q90-K95 PolarHBondContact O-N 3.19Å; D93-K95 HydrophobicContact CB-CD 4.3Å; D93-K95 HydrophobicContact CB-CG 4.45Å; D93-K95 PolarHBondContact O-N 3.18Å; D93-K95 VanDerWaalsContact O-N 3.14Å; K95-D97 PolarHBondContact O-N 3.08Å; K95-E98 HydrophobicContact CB-CB 4.4Å; K95-E98 PolarHBondContact O-N 3.44Å; K95-A99 PolarHBondContact O-N 3.29Å | ||
| 96 | Y | 94.3 | Very high | 93.8 | Very high | 20 Ų | 20 | 41.6 Ų | 41.6 | 8% | 0.078 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | -170.1 | -61.3 | -43.1 | 0 | 0 | 0 | 114 | R91 K94 E98 A99 I100 L123 Q126 M127 D520 F523 | R91-Y96 HydrophobicContact CG-CD1 4.25Å; R91-Y96 HydrophobicContact CG-CE1 3.99Å; K94-Y96 VanDerWaalsContact C-N 3.31Å; K94-Y96 PolarHBondContact O-N 3.42Å; Y96-E98 VanDerWaalsContact C-N 3.33Å; Y96-E98 PolarHBondContact O-N 2.88Å; Y96-A99 PolarHBondContact O-N 3.09Å; Y96-I100 WeakPolarHBondContact O-CG1 3.46Å; Y96-I100 PolarHBondContact O-N 3.16Å; Y96-L123 HydrophobicContact CD1-CD2 3.44Å; Y96-L123 VanDerWaalsContact CD1-CD2 3.44Å; Y96-L123 HydrophobicContact CE1-CD2 3.95Å; Y96-L123 HydrophobicContact CG-CD2 4.16Å; Y96-Q126 HydrophobicContact CD2-CG 3.76Å; Y96-Q126 HydrophobicContact CE2-CG 3.53Å; Y96-Q126 HydrophobicContact CG-CG 4.48Å; Y96-M127 VanDerWaalsContact CB-SD 3.6Å; Y96-M127 HydrophobicContact CD2-SD 3.82Å; Y96-M127 HydrophobicContact CG-SD 4.19Å; Y96-D520 PolarHBondContact OH-OD1 2.96Å; Y96-F523 HydrophobicContact CE1-CD2 4.46Å; Y96-F523 HydrophobicContact CE1-CE2 4.48Å |
| 97 | D | 93.8 | Very high | 93.8 | Very high | 96 Ų | 96 | 41 Ų | 41 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.4 | -42.8 | 176.6 | -69 | -50.4 | 0 | 0 | 0 | 112.5 | K95 I100 K101 | K95-D97 PolarHBondContact O-N 3.08Å; D97-I100 PolarHBondContact O-N 3.14Å; D97-K101 WeakPolarHBondContact O-CG 3.42Å; D97-K101 PolarHBondContact O-N 3.29Å |
| 98 | E | 94.5 | Very high | 93.8 | Very high | 81 Ų | 81 | 48 Ų | 48 | 38% | 0.379 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.7 | -37.7 | 177.2 | -66.2 | -56.4 | 138.6 | 0 | 0 | 111.5 | Q90 K95 Y96 K101 C102 | Q90-E98 HydrophobicContact CB-CB 4.38Å; Q90-E98 HydrophobicContact CG-CB 4.21Å; K95-E98 HydrophobicContact CB-CB 4.4Å; K95-E98 PolarHBondContact O-N 3.44Å; Y96-E98 VanDerWaalsContact C-N 3.33Å; Y96-E98 PolarHBondContact O-N 2.88Å; E98-K101 PolarHBondContact O-N 3.38Å; E98-K101 IonicContact OE1-NZ 3.46Å; E98-K101 PolarHBondContact OE1-NZ 2.94Å; E98-K101 IonicContact OE2-NZ 3.5Å; E98-C102 PolarHBondContact O-N 2.88Å; E98-C102 VanDerWaalsContact O-N 3.09Å; E98-C102 PolarHBondContact O-SG 3.5Å |
| 99 | A | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G87 Q90 R91 K95 Y96 K101 C102 Y103 L123 | G87-A99 WeakPolarHBondContact O-CB 3.32Å; Q90-A99 HydrophobicContact CB-CB 3.99Å; R91-A99 HydrophobicContact CB-CB 4.14Å; K95-A99 PolarHBondContact O-N 3.29Å; Y96-A99 PolarHBondContact O-N 3.09Å; A99-K101 PolarHBondContact O-N 3.49Å; A99-C102 WeakPolarHBondContact O-CB 3.47Å; A99-C102 PolarHBondContact O-N 3.3Å; A99-C102 VanDerWaalsContact O-N 3.17Å; A99-Y103 PolarHBondContact O-N 3.23Å; A99-L123 HydrophobicContact CB-CD1 3.47Å; A99-L123 VanDerWaalsContact CB-CD1 3.47Å |
| 100 | I | 95.9 | Very high | 93.6 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 174.3 | -71.4 | 169.4 | 0 | 0 | 0 | 110.7 | Y96 D97 C102 Y103 R104 L120 L123 M127 | Y96-I100 WeakPolarHBondContact O-CG1 3.46Å; Y96-I100 PolarHBondContact O-N 3.16Å; D97-I100 PolarHBondContact O-N 3.14Å; I100-C102 VanDerWaalsContact C-N 3.29Å; I100-C102 PolarHBondContact O-N 3.1Å; I100-Y103 PolarHBondContact O-N 2.93Å; I100-R104 HydrophobicContact CG2-CG 4.43Å; I100-R104 WeakPolarHBondContact O-CB 3.27Å; I100-R104 WeakPolarHBondContact O-CG 3.1Å; I100-R104 PolarHBondContact O-N 2.81Å; I100-L120 HydrophobicContact CB-CD1 4.36Å; I100-L120 HydrophobicContact CG1-CD1 4.24Å; I100-L120 HydrophobicContact CG2-CD1 3.93Å; I100-L123 HydrophobicContact CD1-CB 3.97Å; I100-L123 HydrophobicContact CG1-CB 3.57Å; I100-L123 HydrophobicContact CG1-CD1 3.85Å; I100-L123 HydrophobicContact CG1-CG 4.39Å; I100-M127 HydrophobicContact CD1-CB 4.34Å; I100-M127 HydrophobicContact CD1-CG 3.93Å |
| 101 | K | 95.9 | Very high | 93.5 | Very high | 110 Ų | 110 | 60 Ų | 60 | 48% | 0.478 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 176.1 | -67.9 | 171.1 | -168.8 | 170.1 | 0 | 111.4 | D97 E98 A99 N105 | D97-K101 WeakPolarHBondContact O-CG 3.42Å; D97-K101 PolarHBondContact O-N 3.29Å; E98-K101 PolarHBondContact O-N 3.38Å; E98-K101 IonicContact OE1-NZ 3.46Å; E98-K101 PolarHBondContact OE1-NZ 2.94Å; E98-K101 IonicContact OE2-NZ 3.5Å; A99-K101 PolarHBondContact O-N 3.49Å; K101-N105 PolarHBondContact O-N 2.82Å; K101-N105 VanDerWaalsContact O-N 3.09Å; K101-N105 PolarHBondContact O-ND2 3.05Å |
| 102 | C | 96.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 177.9 | -63.4 | 0 | 0 | 0 | 0 | 112 | W83 Y86 E98 A99 I100 N105 A106 | W83-C102 HydrophobicContact CE3-CB 4.3Å; Y86-C102 WeakPolarHBondContact CD1-SG 3.37Å; E98-C102 PolarHBondContact O-N 2.88Å; E98-C102 VanDerWaalsContact O-N 3.09Å; E98-C102 PolarHBondContact O-SG 3.5Å; A99-C102 WeakPolarHBondContact O-CB 3.47Å; A99-C102 PolarHBondContact O-N 3.3Å; A99-C102 VanDerWaalsContact O-N 3.17Å; I100-C102 VanDerWaalsContact C-N 3.29Å; I100-C102 PolarHBondContact O-N 3.1Å; C102-N105 PolarHBondContact O-N 3.39Å; C102-A106 PolarHBondContact O-N 3.17Å |
| 103 | Y | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.5 | -64.7 | -18 | 0 | 0 | 0 | 112.7 | H84 L88 A99 I100 N105 A106 L107 I116 D119 L120 L123 | H84-Y103 AromaticContact CD2-CD1 3.88Å; H84-Y103 AromaticContact CD2-CE1 3.49Å; H84-Y103 VanDerWaalsContact CD2-CE1 3.49Å; H84-Y103 WeakPolarHBondContact CD2-CE1 3.29Å; L88-Y103 WeakPolarHBondContact CD2-OH 3.2Å; A99-Y103 PolarHBondContact O-N 3.23Å; I100-Y103 PolarHBondContact O-N 2.93Å; Y103-N105 VanDerWaalsContact C-N 3.3Å; Y103-N105 PolarHBondContact O-N 2.75Å; Y103-A106 WeakPolarHBondContact O-CB 3.48Å; Y103-A106 PolarHBondContact O-N 3.41Å; Y103-L107 WeakPolarHBondContact O-CG 3.14Å; Y103-L107 PolarHBondContact O-N 2.9Å; Y103-I116 HydrophobicContact CD1-CG2 4.37Å; Y103-I116 HydrophobicContact CG-CG2 4.26Å; Y103-D119 HydrophobicContact CD2-CB 4.23Å; Y103-D119 HydrophobicContact CE2-CB 3.63Å; Y103-L120 HydrophobicContact CD2-CB 4.2Å; Y103-L123 HydrophobicContact CD2-CD1 3.61Å; Y103-L123 HydrophobicContact CD2-CG 4.47Å; Y103-L123 HydrophobicContact CE2-CD1 3.3Å; Y103-L123 HydrophobicContact CE2-CG 4.03Å |
| 104 | R | 94.6 | Very high | 93.9 | Very high | 116 Ų | 116 | 62.5 Ų | 62.5 | 44% | 0.438 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 172.8 | -74.8 | -179.9 | 174.4 | 166.2 | 2.8 | 111.9 | I100 K108 L120 D129 | I100-R104 HydrophobicContact CG2-CG 4.43Å; I100-R104 WeakPolarHBondContact O-CB 3.27Å; I100-R104 WeakPolarHBondContact O-CG 3.1Å; I100-R104 PolarHBondContact O-N 2.81Å; R104-K108 WeakPolarHBondContact O-CG 3.3Å; R104-K108 PolarHBondContact O-N 3.25Å; R104-K108 VanDerWaalsContact O-N 3.16Å; R104-L120 HydrophobicContact CG-CD1 4.49Å; R104-L120 HydrophobicContact CG-CD2 4.38Å; R104-D129 IonicContact NH2-OD2 3.52Å; R104-D129 PolarHBondContact NH2-OD2 3.32Å |
| 105 | N | 94.4 | Very high | 93.9 | Very high | 45 Ų | 45 | 62.3 Ų | 62.3 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69 | -37.2 | 174.9 | -75.3 | -26 | 0 | 0 | 0 | 112.7 | W83 K101 C102 Y103 K108 | W83-N105 HydrophobicContact CD2-CB 3.73Å; W83-N105 HydrophobicContact CE3-CB 3.95Å; W83-N105 HydrophobicContact CG-CB 4.09Å; W83-N105 HydrophobicContact CZ2-CB 4.38Å; W83-N105 HydrophobicContact CZ3-CB 4.37Å; K101-N105 PolarHBondContact O-N 2.82Å; K101-N105 VanDerWaalsContact O-N 3.09Å; K101-N105 PolarHBondContact O-ND2 3.05Å; C102-N105 PolarHBondContact O-N 3.39Å; Y103-N105 VanDerWaalsContact C-N 3.3Å; Y103-N105 PolarHBondContact O-N 2.75Å; N105-K108 PolarHBondContact O-N 3.47Å; N105-K108 PolarHBondContact OD1-NZ 3.14Å; N105-K108 VanDerWaalsContact OD1-NZ 3.1Å |
| 106 | A | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H80 W83 C102 Y103 K108 L109 D110 I116 | H80-A106 HydrophobicContact CB-CB 4.35Å; W83-A106 HydrophobicContact CB-CB 3.68Å; C102-A106 PolarHBondContact O-N 3.17Å; Y103-A106 WeakPolarHBondContact O-CB 3.48Å; Y103-A106 PolarHBondContact O-N 3.41Å; A106-K108 VanDerWaalsContact C-N 3.3Å; A106-K108 PolarHBondContact O-N 2.87Å; A106-L109 WeakPolarHBondContact O-CB 3.48Å; A106-L109 PolarHBondContact O-N 2.98Å; A106-D110 PolarHBondContact O-N 3.4Å; A106-I116 HydrophobicContact CB-CD1 3.85Å; A106-I116 HydrophobicContact CB-CG2 4.26Å |
| 107 | L | 94.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.9 | -22.5 | 178.7 | -70 | 169.5 | 0 | 0 | 0 | 113.8 | Y103 L109 D110 K111 N113 I116 L117 L120 | Y103-L107 WeakPolarHBondContact O-CG 3.14Å; Y103-L107 PolarHBondContact O-N 2.9Å; L107-L109 PolarHBondContact O-N 3.45Å; L107-D110 WeakPolarHBondContact CA-O 3.36Å; L107-D110 WeakPolarHBondContact CD2-O 3.33Å; L107-D110 CarbonylContact O-C 3.32Å; L107-K111 VanDerWaalsContact O-CA 3.22Å; L107-K111 WeakPolarHBondContact O-CA 3.29Å; L107-K111 WeakPolarHBondContact O-CG 3.38Å; L107-K111 PolarHBondContact O-N 2.87Å; L107-N113 HydrophobicContact CD2-CB 4.44Å; L107-I116 HydrophobicContact CD1-CG2 4.14Å; L107-I116 HydrophobicContact CD2-CB 3.89Å; L107-I116 HydrophobicContact CD2-CG2 3.84Å; L107-I116 HydrophobicContact CG-CB 4.29Å; L107-I116 HydrophobicContact CG-CG2 3.65Å; L107-L117 HydrophobicContact CD1-CD2 3.73Å; L107-L117 HydrophobicContact CD1-CG 4.44Å; L107-L117 HydrophobicContact CD2-CD2 3.83Å; L107-L117 HydrophobicContact CD2-CG 3.8Å; L107-L117 HydrophobicContact CG-CD2 4.44Å; L107-L120 HydrophobicContact CD1-CD2 3.5Å |
| 108 | K | 93.7 | Very high | 94.1 | Very high | 147 Ų | 147 | 57.6 Ų | 57.6 | 64% | 0.639 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.9 | -28.2 | 169.5 | -73.4 | 171.4 | -172 | 166.7 | 0 | 112.1 | R104 N105 A106 | R104-K108 WeakPolarHBondContact O-CG 3.3Å; R104-K108 PolarHBondContact O-N 3.25Å; R104-K108 VanDerWaalsContact O-N 3.16Å; N105-K108 PolarHBondContact O-N 3.47Å; N105-K108 PolarHBondContact OD1-NZ 3.14Å; N105-K108 VanDerWaalsContact OD1-NZ 3.1Å; A106-K108 VanDerWaalsContact C-N 3.3Å; A106-K108 PolarHBondContact O-N 2.87Å |
| 109 | L | 92.4 | Very high | 94.2 | Very high | 80 Ų | 80 | 54.1 Ų | 54.1 | 42% | 0.419 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -92.4 | -38.9 | -177.7 | -59.7 | 165.6 | 0 | 0 | 0 | 111.6 | K78 H80 A106 L107 | K78-L109 HydrophobicContact CB-CD2 4.44Å; K78-L109 WeakPolarHBondContact O-CD1 3.36Å; H80-L109 HydrophobicContact CB-CB 4.14Å; A106-L109 WeakPolarHBondContact O-CB 3.48Å; A106-L109 PolarHBondContact O-N 2.98Å; L107-L109 PolarHBondContact O-N 3.45Å |
| 110 | D | 91.3 | Very high | 94.2 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -134.1 | 92.5 | 176 | -177.3 | 13.8 | 0 | 0 | 0 | 110.1 | H80 A106 L107 D112 N113 | H80-D110 HydrophobicContact CB-CB 3.98Å; H80-D110 IonicContact CD2-OD2 3.79Å; H80-D110 IonicContact NE2-OD2 3.05Å; A106-D110 PolarHBondContact O-N 3.4Å; L107-D110 WeakPolarHBondContact CA-O 3.36Å; L107-D110 WeakPolarHBondContact CD2-O 3.33Å; L107-D110 CarbonylContact O-C 3.32Å; D110-D112 PolarHBondContact O-N 2.92Å; D110-N113 HydrophobicContact CB-CB 4.4Å; D110-N113 WeakPolarHBondContact OD2-CB 3.43Å; D110-N113 PolarHBondContact OD2-ND2 3.45Å |
| 111 | K | 90.6 | Very high | 94.2 | Very high | 150 Ų | 150 | 53.9 Ų | 53.9 | 65% | 0.652 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -31.8 | -168.9 | -68.4 | 179.9 | 179.7 | -178.1 | 0 | 113.8 | L107 | L107-K111 VanDerWaalsContact O-CA 3.22Å; L107-K111 WeakPolarHBondContact O-CA 3.29Å; L107-K111 WeakPolarHBondContact O-CG 3.38Å; L107-K111 PolarHBondContact O-N 2.87Å |
| 112 | D | 92.8 | Very high | 94.3 | Very high | 111 Ų | 111 | 49 Ų | 49 | 59% | 0.594 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 15.9 | -170.7 | -59 | -28.6 | 0 | 0 | 0 | 112.3 | D110 L114 L143 | D110-D112 PolarHBondContact O-N 2.92Å; D112-L114 PolarHBondContact O-N 3.02Å; D112-L143 HydrophobicContact CB-CD1 4.26Å; D112-L143 HydrophobicContact CB-CD2 4.15Å |
| 113 | N | 93.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | trans | -70.4 | 99.2 | 179.6 | -161.5 | -56.1 | 0 | 0 | 0 | 111.5 | L107 D110 Q115 I116 L117 | L107-N113 HydrophobicContact CD2-CB 4.44Å; D110-N113 HydrophobicContact CB-CB 4.4Å; D110-N113 WeakPolarHBondContact OD2-CB 3.43Å; D110-N113 PolarHBondContact OD2-ND2 3.45Å; N113-Q115 PolarHBondContact O-N 3.5Å; N113-Q115 PolarHBondContact OD1-N 3.45Å; N113-I116 HydrophobicContact CB-CB 4.21Å; N113-I116 HydrophobicContact CB-CD1 3.9Å; N113-I116 HydrophobicContact CB-CG1 4.09Å; N113-I116 PolarHBondContact O-N 3.46Å; N113-I116 VanDerWaalsContact O-N 3.15Å; N113-I116 PolarHBondContact OD1-N 3.39Å; N113-L117 WeakPolarHBondContact O-CG 3.2Å; N113-L117 PolarHBondContact O-N 2.92Å | ||
| 114 | L | 92.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 49.1 Ų | 49.1 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -54.8 | -36.4 | -177.8 | -67.5 | 171.2 | 0 | 0 | 0 | 113.9 | D112 R118 L140 L143 R144 | D112-L114 PolarHBondContact O-N 3.02Å; L114-R118 VanDerWaalsContact O-CB 3.29Å; L114-R118 WeakPolarHBondContact O-CB 3.33Å; L114-R118 PolarHBondContact O-N 3Å; L114-L140 HydrophobicContact CD2-CD2 4.05Å; L114-L143 HydrophobicContact CD2-CB 3.72Å; L114-L143 HydrophobicContact CD2-CD1 3.75Å; L114-L143 HydrophobicContact CD2-CG 4.39Å; L114-R144 HydrophobicContact CD1-CG 3.91Å; L114-R144 VanDerWaalsContact CD1-NE 3.32Å; L114-R144 HydrophobicContact CD2-CG 3.88Å |
| 115 | Q | 91.4 | Very high | 94.5 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.1 | -46 | -179.2 | 178.9 | 60.3 | 38 | 0 | 0 | 110.7 | N113 R118 D119 | N113-Q115 PolarHBondContact O-N 3.5Å; N113-Q115 PolarHBondContact OD1-N 3.45Å; Q115-R118 PolarHBondContact O-N 2.95Å; Q115-D119 PolarHBondContact NE2-OD1 3.14Å; Q115-D119 PolarHBondContact NE2-OD2 3.29Å; Q115-D119 PolarHBondContact O-N 3.39Å |
| 116 | I | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.7 | -40.9 | -178.9 | -55.2 | 174.7 | 0 | 0 | 0 | 110.4 | H84 Y103 A106 L107 N113 R118 D119 L120 | H84-I116 HydrophobicContact CB-CD1 4Å; H84-I116 HydrophobicContact CB-CG1 4.22Å; Y103-I116 HydrophobicContact CD1-CG2 4.37Å; Y103-I116 HydrophobicContact CG-CG2 4.26Å; A106-I116 HydrophobicContact CB-CD1 3.85Å; A106-I116 HydrophobicContact CB-CG2 4.26Å; L107-I116 HydrophobicContact CD1-CG2 4.14Å; L107-I116 HydrophobicContact CD2-CB 3.89Å; L107-I116 HydrophobicContact CD2-CG2 3.84Å; L107-I116 HydrophobicContact CG-CB 4.29Å; L107-I116 HydrophobicContact CG-CG2 3.65Å; N113-I116 HydrophobicContact CB-CB 4.21Å; N113-I116 HydrophobicContact CB-CD1 3.9Å; N113-I116 HydrophobicContact CB-CG1 4.09Å; N113-I116 PolarHBondContact O-N 3.46Å; N113-I116 VanDerWaalsContact O-N 3.15Å; N113-I116 PolarHBondContact OD1-N 3.39Å; I116-R118 VanDerWaalsContact C-N 3.33Å; I116-R118 PolarHBondContact O-N 2.83Å; I116-D119 PolarHBondContact O-N 3.25Å; I116-L120 VanDerWaalsContact O-CB 3.24Å; I116-L120 WeakPolarHBondContact O-CB 3.34Å; I116-L120 PolarHBondContact O-N 3.31Å |
| 117 | L | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 173.2 | -72.8 | 171.6 | 0 | 0 | 0 | 111.5 | L107 N113 L120 S121 T136 Q139 L140 L143 | L107-L117 HydrophobicContact CD1-CD2 3.73Å; L107-L117 HydrophobicContact CD1-CG 4.44Å; L107-L117 HydrophobicContact CD2-CD2 3.83Å; L107-L117 HydrophobicContact CD2-CG 3.8Å; L107-L117 HydrophobicContact CG-CD2 4.44Å; N113-L117 WeakPolarHBondContact O-CG 3.2Å; N113-L117 PolarHBondContact O-N 2.92Å; L117-L120 PolarHBondContact O-N 2.83Å; L117-S121 WeakPolarHBondContact O-CB 3.12Å; L117-S121 PolarHBondContact O-N 3.38Å; L117-T136 HydrophobicContact CB-CG2 4.23Å; L117-T136 HydrophobicContact CD2-CG2 4.05Å; L117-T136 WeakPolarHBondContact O-CG2 3.29Å; L117-Q139 VanDerWaalsContact CD2-OE1 3.29Å; L117-L140 HydrophobicContact CB-CD2 3.71Å; L117-L140 HydrophobicContact CB-CG 4.05Å; L117-L140 HydrophobicContact CD1-CD2 4.36Å; L117-L143 HydrophobicContact CD1-CD1 3.57Å |
| 118 | R | 94.6 | Very high | 94.8 | Very high | 120 Ų | 120 | 47.5 Ų | 47.5 | 45% | 0.453 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.6 | -53.6 | 175.2 | -175.5 | 176.7 | 66.2 | 176.7 | 2.4 | 110.8 | L114 Q115 I116 L120 S121 L122 | L114-R118 VanDerWaalsContact O-CB 3.29Å; L114-R118 WeakPolarHBondContact O-CB 3.33Å; L114-R118 PolarHBondContact O-N 3Å; Q115-R118 PolarHBondContact O-N 2.95Å; I116-R118 VanDerWaalsContact C-N 3.33Å; I116-R118 PolarHBondContact O-N 2.83Å; R118-L120 VanDerWaalsContact C-N 3.28Å; R118-L120 PolarHBondContact O-N 3.44Å; R118-S121 PolarHBondContact O-N 3.27Å; R118-S121 VanDerWaalsContact O-N 3.13Å; R118-S121 PolarHBondContact O-OG 3.35Å; R118-L122 WeakPolarHBondContact O-CG 3.34Å; R118-L122 PolarHBondContact O-N 2.97Å; R118-L122 VanDerWaalsContact O-N 3.12Å |
| 119 | D | 95.1 | Very high | 95 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.5 | -39.9 | -179.8 | -74.6 | -36.9 | 0 | 0 | 0 | 112 | H84 R91 Y103 Q115 I116 L122 L123 | H84-D119 IonicContact CE1-OD2 2.67Å; H84-D119 IonicContact NE2-OD2 2.86Å; H84-D119 PolarHBondContact NE2-OD2 3.37Å; R91-D119 IonicContact NH1-OD1 2.92Å; R91-D119 PolarHBondContact NH1-OD1 2.83Å; Y103-D119 HydrophobicContact CD2-CB 4.23Å; Y103-D119 HydrophobicContact CE2-CB 3.63Å; Q115-D119 PolarHBondContact NE2-OD1 3.14Å; Q115-D119 PolarHBondContact NE2-OD2 3.29Å; Q115-D119 PolarHBondContact O-N 3.39Å; I116-D119 PolarHBondContact O-N 3.25Å; D119-L122 PolarHBondContact O-N 2.95Å; D119-L123 PolarHBondContact O-N 3.25Å |
| 120 | L | 97.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -46.9 | 174.4 | 176.9 | 61.3 | 0 | 0 | 0 | 111.6 | I100 Y103 R104 L107 I116 L117 R118 L122 L123 Q124 | I100-L120 HydrophobicContact CB-CD1 4.36Å; I100-L120 HydrophobicContact CG1-CD1 4.24Å; I100-L120 HydrophobicContact CG2-CD1 3.93Å; Y103-L120 HydrophobicContact CD2-CB 4.2Å; R104-L120 HydrophobicContact CG-CD1 4.49Å; R104-L120 HydrophobicContact CG-CD2 4.38Å; L107-L120 HydrophobicContact CD1-CD2 3.5Å; I116-L120 VanDerWaalsContact O-CB 3.24Å; I116-L120 WeakPolarHBondContact O-CB 3.34Å; I116-L120 PolarHBondContact O-N 3.31Å; L117-L120 PolarHBondContact O-N 2.83Å; R118-L120 VanDerWaalsContact C-N 3.28Å; R118-L120 PolarHBondContact O-N 3.44Å; L120-L122 PolarHBondContact O-N 3.07Å; L120-L123 PolarHBondContact O-N 3.42Å; L120-L123 VanDerWaalsContact O-N 3.12Å; L120-Q124 HydrophobicContact CD1-CG 3.95Å; L120-Q124 HydrophobicContact CG-CG 4.19Å; L120-Q124 WeakPolarHBondContact O-CG 3.46Å; L120-Q124 PolarHBondContact O-N 2.97Å |
| 121 | S | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.6 | -36.7 | 178.7 | 74.9 | 0 | 0 | 0 | 0 | 112.1 | L117 R118 Q124 I125 Y133 R137 | L117-S121 WeakPolarHBondContact O-CB 3.12Å; L117-S121 PolarHBondContact O-N 3.38Å; R118-S121 PolarHBondContact O-N 3.27Å; R118-S121 VanDerWaalsContact O-N 3.13Å; R118-S121 PolarHBondContact O-OG 3.35Å; S121-Q124 PolarHBondContact O-N 2.98Å; S121-I125 WeakPolarHBondContact O-CG2 3.45Å; S121-I125 PolarHBondContact O-N 3.2Å; S121-I125 VanDerWaalsContact O-N 3.11Å; S121-Y133 WeakPolarHBondContact O-CD2 3.22Å; S121-Y133 WeakPolarHBondContact O-CE2 3.4Å; S121-R137 PolarHBondContact OG-NH2 3.06Å |
| 122 | L | 96.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 177.2 | -58.6 | 177.4 | 0 | 0 | 0 | 111.6 | R118 D119 L120 I125 Q126 F523 H526 T527 | R118-L122 WeakPolarHBondContact O-CG 3.34Å; R118-L122 PolarHBondContact O-N 2.97Å; R118-L122 VanDerWaalsContact O-N 3.12Å; D119-L122 PolarHBondContact O-N 2.95Å; L120-L122 PolarHBondContact O-N 3.07Å; L122-I125 VanDerWaalsContact O-CG2 3.3Å; L122-I125 WeakPolarHBondContact O-CG2 3.11Å; L122-Q126 WeakPolarHBondContact O-CB 3.39Å; L122-Q126 PolarHBondContact O-N 3.02Å; L122-F523 HydrophobicContact CB-CE2 4.02Å; L122-F523 HydrophobicContact CB-CZ 3.94Å; L122-F523 HydrophobicContact CD1-CZ 4.49Å; L122-H526 HydrophobicContact CD2-CB 3.61Å; L122-T527 HydrophobicContact CD1-CG2 3.54Å; L122-T527 HydrophobicContact CD2-CG2 3.52Å; L122-T527 HydrophobicContact CG-CG2 4.17Å |
| 123 | L | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.4 | -37.8 | 176.3 | -64 | -174.7 | 0 | 0 | 0 | 112.3 | R91 Y96 A99 I100 Y103 D119 L120 Q126 M127 F523 | R91-L123 HydrophobicContact CG-CD2 3.9Å; Y96-L123 HydrophobicContact CD1-CD2 3.44Å; Y96-L123 VanDerWaalsContact CD1-CD2 3.44Å; Y96-L123 HydrophobicContact CE1-CD2 3.95Å; Y96-L123 HydrophobicContact CG-CD2 4.16Å; A99-L123 HydrophobicContact CB-CD1 3.47Å; A99-L123 VanDerWaalsContact CB-CD1 3.47Å; I100-L123 HydrophobicContact CD1-CB 3.97Å; I100-L123 HydrophobicContact CG1-CB 3.57Å; I100-L123 HydrophobicContact CG1-CD1 3.85Å; I100-L123 HydrophobicContact CG1-CG 4.39Å; Y103-L123 HydrophobicContact CD2-CD1 3.61Å; Y103-L123 HydrophobicContact CD2-CG 4.47Å; Y103-L123 HydrophobicContact CE2-CD1 3.3Å; Y103-L123 HydrophobicContact CE2-CG 4.03Å; D119-L123 PolarHBondContact O-N 3.25Å; L120-L123 PolarHBondContact O-N 3.42Å; L120-L123 VanDerWaalsContact O-N 3.12Å; L123-Q126 PolarHBondContact O-N 3.25Å; L123-M127 WeakPolarHBondContact O-CB 3.39Å; L123-M127 WeakPolarHBondContact O-CG 3.38Å; L123-M127 PolarHBondContact O-N 3.43Å; L123-F523 HydrophobicContact CD2-CE2 3.65Å; L123-F523 HydrophobicContact CD2-CZ 4Å |
| 124 | Q | 97.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.019 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 179.3 | -74.2 | 174.1 | -49.3 | 0 | 0 | 111.4 | L120 S121 M127 R128 D129 G132 Y133 T136 | L120-Q124 HydrophobicContact CD1-CG 3.95Å; L120-Q124 HydrophobicContact CG-CG 4.19Å; L120-Q124 WeakPolarHBondContact O-CG 3.46Å; L120-Q124 PolarHBondContact O-N 2.97Å; S121-Q124 PolarHBondContact O-N 2.98Å; Q124-M127 CarbonylContact O-C 3.6Å; Q124-M127 PolarHBondContact O-N 3.16Å; Q124-R128 PolarHBondContact O-N 3.31Å; Q124-D129 HydrophobicContact CB-CB 4.2Å; Q124-D129 HydrophobicContact CG-CB 4.37Å; Q124-D129 PolarHBondContact O-N 2.66Å; Q124-G132 PolarHBondContact NE2-O 3.5Å; Q124-G132 VanDerWaalsContact NE2-O 3.1Å; Q124-G132 PolarHBondContact OE1-O 2.69Å; Q124-G132 VanDerWaalsContact OE1-O 3.08Å; Q124-Y133 HydrophobicContact CB-CD2 4.48Å; Q124-T136 PolarHBondContact OE1-OG1 2.84Å |
| 125 | I | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.4 | -36.9 | 175.8 | -168.2 | 150 | 0 | 0 | 0 | 112.1 | S121 L122 M127 R128 Y133 L160 H526 Y538 L542 | S121-I125 WeakPolarHBondContact O-CG2 3.45Å; S121-I125 PolarHBondContact O-N 3.2Å; S121-I125 VanDerWaalsContact O-N 3.11Å; L122-I125 VanDerWaalsContact O-CG2 3.3Å; L122-I125 WeakPolarHBondContact O-CG2 3.11Å; I125-M127 VanDerWaalsContact C-N 3.26Å; I125-M127 PolarHBondContact O-N 2.99Å; I125-R128 WeakPolarHBondContact O-CD 3.48Å; I125-R128 PolarHBondContact O-N 3.27Å; I125-R128 PolarHBondContact O-NH1 2.69Å; I125-Y133 HydrophobicContact CB-CD2 3.8Å; I125-Y133 HydrophobicContact CB-CE2 3.8Å; I125-Y133 HydrophobicContact CB-CG 4.14Å; I125-Y133 HydrophobicContact CD1-CD1 4.06Å; I125-Y133 HydrophobicContact CD1-CE1 3.58Å; I125-Y133 HydrophobicContact CD1-CE2 4.09Å; I125-Y133 HydrophobicContact CG2-CD2 4.32Å; I125-Y133 HydrophobicContact CG2-CE2 3.98Å; I125-L160 HydrophobicContact CD1-CD1 3.77Å; I125-L160 HydrophobicContact CG1-CD1 4.49Å; I125-H526 HydrophobicContact CG2-CB 4.37Å; I125-Y538 WeakPolarHBondContact CD1-OH 3.3Å; I125-L542 HydrophobicContact CD1-CD1 3.97Å; I125-L542 HydrophobicContact CG1-CD1 4.39Å; I125-L542 HydrophobicContact CG1-CD2 4.43Å |
| 126 | Q | 96.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.075 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.5 | -41.5 | 172.9 | -177.8 | 66.3 | 22.7 | 0 | 0 | 111.6 | Y96 L122 L123 R128 T519 F523 H526 | Y96-Q126 HydrophobicContact CD2-CG 3.76Å; Y96-Q126 HydrophobicContact CE2-CG 3.53Å; Y96-Q126 HydrophobicContact CG-CG 4.48Å; L122-Q126 WeakPolarHBondContact O-CB 3.39Å; L122-Q126 PolarHBondContact O-N 3.02Å; L123-Q126 PolarHBondContact O-N 3.25Å; Q126-R128 VanDerWaalsContact C-N 3.33Å; Q126-T519 PolarHBondContact NE2-O 2.96Å; Q126-F523 HydrophobicContact CB-CD2 4.12Å; Q126-F523 HydrophobicContact CB-CE2 4.44Å; Q126-F523 HydrophobicContact CG-CD2 4.08Å; Q126-H526 PolarHBondContact OE1-NE2 3.24Å |
| 127 | M | 96.1 | Very high | 96.8 | Very high | 75 Ų | 75 | 32.4 Ų | 32.4 | 37% | 0.369 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 3.2 | 178.9 | -60.6 | -53.3 | -66 | 0 | 0 | 113.9 | Y96 I100 L123 Q124 I125 D129 | Y96-M127 VanDerWaalsContact CB-SD 3.6Å; Y96-M127 HydrophobicContact CD2-SD 3.82Å; Y96-M127 HydrophobicContact CG-SD 4.19Å; I100-M127 HydrophobicContact CD1-CB 4.34Å; I100-M127 HydrophobicContact CD1-CG 3.93Å; L123-M127 WeakPolarHBondContact O-CB 3.39Å; L123-M127 WeakPolarHBondContact O-CG 3.38Å; L123-M127 PolarHBondContact O-N 3.43Å; Q124-M127 CarbonylContact O-C 3.6Å; Q124-M127 PolarHBondContact O-N 3.16Å; I125-M127 VanDerWaalsContact C-N 3.26Å; I125-M127 PolarHBondContact O-N 2.99Å; M127-D129 PolarHBondContact O-N 3.01Å |
| 128 | R | 96.7 | Very high | 96.8 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 22% | 0.215 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 31.9 | -174.2 | -56.4 | -63.6 | -172.9 | -90.9 | -6.5 | 114.1 | Q124 I125 Q126 L130 L542 D546 | Q124-R128 PolarHBondContact O-N 3.31Å; I125-R128 WeakPolarHBondContact O-CD 3.48Å; I125-R128 PolarHBondContact O-N 3.27Å; I125-R128 PolarHBondContact O-NH1 2.69Å; Q126-R128 VanDerWaalsContact C-N 3.33Å; R128-L130 PolarHBondContact O-N 3.34Å; R128-L542 PolarHBondContact NH2-O 2.97Å; R128-D546 IonicContact CZ-OD1 2.66Å; R128-D546 IonicContact NE-OD1 2.95Å; R128-D546 PolarHBondContact NE-OD1 2.88Å; R128-D546 IonicContact NE-OD2 3.02Å; R128-D546 IonicContact NH2-OD1 2.9Å; R128-D546 PolarHBondContact NH2-OD1 2.77Å |
| 129 | D | 97.1 | Very high | 96.8 | Very high | 49 Ų | 49 | 35.9 Ų | 35.9 | 26% | 0.262 | 16% | 0.164 | S | C | . | . | trans | -73.9 | 72.7 | 162.5 | 178.5 | 15.3 | 0 | 0 | 0 | 108.6 | R104 Q124 M127 E131 G132 Y133 | R104-D129 IonicContact NH2-OD2 3.52Å; R104-D129 PolarHBondContact NH2-OD2 3.32Å; Q124-D129 HydrophobicContact CB-CB 4.2Å; Q124-D129 HydrophobicContact CG-CB 4.37Å; Q124-D129 PolarHBondContact O-N 2.66Å; M127-D129 PolarHBondContact O-N 3.01Å; D129-E131 VanDerWaalsContact C-N 3.34Å; D129-E131 PolarHBondContact O-N 3.15Å; D129-G132 PolarHBondContact O-N 3.36Å; D129-G132 PolarHBondContact OD1-N 3.06Å; D129-Y133 VanDerWaalsContact O-CB 3.25Å; D129-Y133 WeakPolarHBondContact O-CB 3.5Å; D129-Y133 PolarHBondContact O-N 3.21Å | ||
| 130 | L | 97.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 20% | 0.204 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -36.3 | -171.8 | -60.8 | -176.6 | 0 | 0 | 0 | 112.5 | R128 Y133 R134 L160 L161 | R128-L130 PolarHBondContact O-N 3.34Å; L130-Y133 PolarHBondContact O-N 3.3Å; L130-R134 WeakPolarHBondContact O-CB 3.36Å; L130-R134 PolarHBondContact O-N 2.6Å; L130-L160 HydrophobicContact CD1-CB 4.06Å; L130-L160 HydrophobicContact CD2-CB 4.01Å; L130-L160 HydrophobicContact CD2-CD1 3.97Å; L130-L161 HydrophobicContact CB-CD2 3.61Å; L130-L161 HydrophobicContact CB-CG 4.03Å; L130-L161 HydrophobicContact CD1-CD2 4.2Å |
| 131 | E | 96.7 | Very high | 96.8 | Very high | 91 Ų | 91 | 36.5 Ų | 36.5 | 43% | 0.425 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.7 | -49.2 | 176.5 | -73 | -65.2 | 178.2 | 0 | 0 | 111.3 | D129 Y133 R134 E135 L161 | D129-E131 VanDerWaalsContact C-N 3.34Å; D129-E131 PolarHBondContact O-N 3.15Å; E131-Y133 VanDerWaalsContact C-N 3.25Å; E131-Y133 PolarHBondContact O-N 3.32Å; E131-R134 WeakPolarHBondContact O-CB 3.18Å; E131-R134 PolarHBondContact O-N 3.09Å; E131-R134 IonicContact OE2-CZ 2.81Å; E131-R134 VanDerWaalsContact OE2-CZ 3.23Å; E131-R134 IonicContact OE2-NE 2.96Å; E131-R134 PolarHBondContact OE2-NE 2.93Å; E131-R134 IonicContact OE2-NH2 3.59Å; E131-R134 PolarHBondContact OE2-NH2 2.99Å; E131-E135 PolarHBondContact O-N 3.04Å; E131-L161 HydrophobicContact CG-CD2 4.39Å |
| 132 | G | 96.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -37.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q124 D129 E135 T136 | Q124-G132 PolarHBondContact NE2-O 3.5Å; Q124-G132 VanDerWaalsContact NE2-O 3.1Å; Q124-G132 PolarHBondContact OE1-O 2.69Å; Q124-G132 VanDerWaalsContact OE1-O 3.08Å; D129-G132 PolarHBondContact O-N 3.36Å; D129-G132 PolarHBondContact OD1-N 3.06Å; G132-E135 PolarHBondContact O-N 3.47Å; G132-T136 PolarHBondContact O-N 2.84Å; G132-T136 PolarHBondContact O-OG1 3.45Å |
| 133 | Y | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 175.6 | -179.4 | -112.9 | 0 | 0 | 0 | 111.8 | S121 Q124 I125 D129 L130 E131 T136 R137 G153 A157 | S121-Y133 WeakPolarHBondContact O-CD2 3.22Å; S121-Y133 WeakPolarHBondContact O-CE2 3.4Å; Q124-Y133 HydrophobicContact CB-CD2 4.48Å; I125-Y133 HydrophobicContact CB-CD2 3.8Å; I125-Y133 HydrophobicContact CB-CE2 3.8Å; I125-Y133 HydrophobicContact CB-CG 4.14Å; I125-Y133 HydrophobicContact CD1-CD1 4.06Å; I125-Y133 HydrophobicContact CD1-CE1 3.58Å; I125-Y133 HydrophobicContact CD1-CE2 4.09Å; I125-Y133 HydrophobicContact CG2-CD2 4.32Å; I125-Y133 HydrophobicContact CG2-CE2 3.98Å; D129-Y133 VanDerWaalsContact O-CB 3.25Å; D129-Y133 WeakPolarHBondContact O-CB 3.5Å; D129-Y133 PolarHBondContact O-N 3.21Å; L130-Y133 PolarHBondContact O-N 3.3Å; E131-Y133 VanDerWaalsContact C-N 3.25Å; E131-Y133 PolarHBondContact O-N 3.32Å; Y133-T136 PolarHBondContact O-N 3.02Å; Y133-R137 HydrophobicContact CD1-CG 4.28Å; Y133-R137 HydrophobicContact CD2-CG 4.09Å; Y133-R137 HydrophobicContact CE1-CG 3.95Å; Y133-R137 HydrophobicContact CE2-CG 3.78Å; Y133-R137 HydrophobicContact CG-CG 4.35Å; Y133-R137 WeakPolarHBondContact O-CB 3.37Å; Y133-R137 WeakPolarHBondContact O-CG 3.15Å; Y133-R137 PolarHBondContact O-N 2.74Å; Y133-R137 PolarHBondContact OH-NE 3.01Å; Y133-R137 PolarHBondContact OH-NH2 3.23Å; Y133-G153 WeakPolarHBondContact CE1-O 3.39Å; Y133-A157 HydrophobicContact CD1-CB 3.56Å; Y133-A157 HydrophobicContact CE1-CB 3.79Å |
| 134 | R | 97.9 | Very high | 96.4 | Very high | 70 Ų | 70 | 50.1 Ų | 50.1 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58 | -49.3 | 176.1 | -179.2 | -177.4 | 63.2 | 129.9 | -2.6 | 111.5 | L130 E131 R137 Y138 Y154 A157 Y158 L161 | L130-R134 WeakPolarHBondContact O-CB 3.36Å; L130-R134 PolarHBondContact O-N 2.6Å; E131-R134 WeakPolarHBondContact O-CB 3.18Å; E131-R134 PolarHBondContact O-N 3.09Å; E131-R134 IonicContact OE2-CZ 2.81Å; E131-R134 VanDerWaalsContact OE2-CZ 3.23Å; E131-R134 IonicContact OE2-NE 2.96Å; E131-R134 PolarHBondContact OE2-NE 2.93Å; E131-R134 IonicContact OE2-NH2 3.59Å; E131-R134 PolarHBondContact OE2-NH2 2.99Å; R134-R137 PolarHBondContact O-N 3.09Å; R134-Y138 WeakPolarHBondContact O-CB 3.24Å; R134-Y138 PolarHBondContact O-N 2.7Å; R134-Y154 HydrophobicContact CG-CD2 4.44Å; R134-Y154 HydrophobicContact CG-CE2 3.89Å; R134-A157 HydrophobicContact CB-CB 3.94Å; R134-A157 HydrophobicContact CG-CB 4.34Å; R134-Y158 HydrophobicContact CG-CE1 4.44Å; R134-Y158 HydrophobicContact CG-CE2 4.44Å; R134-L161 HydrophobicContact CB-CD1 4.09Å; R134-L161 HydrophobicContact CG-CD1 4.34Å |
| 135 | E | 96.4 | Very high | 96.2 | Very high | 115 Ų | 115 | 53.3 Ų | 53.3 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60 | -47.9 | 178.7 | -70.5 | -179.1 | 174.8 | 0 | 0 | 111.9 | E131 G132 R137 Y138 Q139 | E131-E135 PolarHBondContact O-N 3.04Å; G132-E135 PolarHBondContact O-N 3.47Å; E135-R137 VanDerWaalsContact C-N 3.34Å; E135-R137 PolarHBondContact O-N 3.5Å; E135-Y138 WeakPolarHBondContact O-CB 3.22Å; E135-Y138 PolarHBondContact O-N 2.87Å; E135-Q139 WeakPolarHBondContact O-CG 3.47Å; E135-Q139 PolarHBondContact O-N 3.07Å |
| 136 | T | 97 | Very high | 95.8 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 179.3 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | L117 Q124 G132 Y133 Q139 L140 | L117-T136 HydrophobicContact CB-CG2 4.23Å; L117-T136 HydrophobicContact CD2-CG2 4.05Å; L117-T136 WeakPolarHBondContact O-CG2 3.29Å; Q124-T136 PolarHBondContact OE1-OG1 2.84Å; G132-T136 PolarHBondContact O-N 2.84Å; G132-T136 PolarHBondContact O-OG1 3.45Å; Y133-T136 PolarHBondContact O-N 3.02Å; T136-Q139 PolarHBondContact O-N 3.49Å; T136-L140 HydrophobicContact CG2-CD1 4.45Å; T136-L140 WeakPolarHBondContact O-CG 3.33Å; T136-L140 PolarHBondContact O-N 3.29Å |
| 137 | R | 97.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 63 Ų | 63 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68 | -36.7 | 176.6 | -73.8 | -65 | -171.4 | -163.6 | -7.3 | 112.8 | S121 Y133 R134 E135 L140 L141 Y154 | S121-R137 PolarHBondContact OG-NH2 3.06Å; Y133-R137 HydrophobicContact CD1-CG 4.28Å; Y133-R137 HydrophobicContact CD2-CG 4.09Å; Y133-R137 HydrophobicContact CE1-CG 3.95Å; Y133-R137 HydrophobicContact CE2-CG 3.78Å; Y133-R137 HydrophobicContact CG-CG 4.35Å; Y133-R137 WeakPolarHBondContact O-CB 3.37Å; Y133-R137 WeakPolarHBondContact O-CG 3.15Å; Y133-R137 PolarHBondContact O-N 2.74Å; Y133-R137 PolarHBondContact OH-NE 3.01Å; Y133-R137 PolarHBondContact OH-NH2 3.23Å; R134-R137 PolarHBondContact O-N 3.09Å; E135-R137 VanDerWaalsContact C-N 3.34Å; E135-R137 PolarHBondContact O-N 3.5Å; R137-L140 PolarHBondContact O-N 3.26Å; R137-L141 PolarHBondContact O-N 3.08Å; R137-Y154 HydrophobicContact CB-CD2 4.13Å |
| 138 | Y | 96.6 | Very high | 95.2 | Very high | 108 Ų | 108 | 64.1 Ų | 64.1 | 42% | 0.424 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 171.7 | 177.3 | -111.5 | 0 | 0 | 0 | 111.4 | R134 E135 L140 L141 Q142 Y154 | R134-Y138 WeakPolarHBondContact O-CB 3.24Å; R134-Y138 PolarHBondContact O-N 2.7Å; E135-Y138 WeakPolarHBondContact O-CB 3.22Å; E135-Y138 PolarHBondContact O-N 2.87Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.03Å; Y138-L141 WeakPolarHBondContact O-CB 3.08Å; Y138-L141 PolarHBondContact O-N 3.02Å; Y138-L141 VanDerWaalsContact O-N 3.14Å; Y138-Q142 HydrophobicContact CD1-CG 4.43Å; Y138-Q142 HydrophobicContact CD2-CG 4.47Å; Y138-Q142 HydrophobicContact CE1-CG 4.03Å; Y138-Q142 HydrophobicContact CE2-CG 4.1Å; Y138-Q142 WeakPolarHBondContact O-CG 3.34Å; Y138-Q142 PolarHBondContact O-N 3.32Å; Y138-Q142 PolarHBondContact OH-NE2 3.49Å; Y138-Y154 AromaticContact CD2-CE1 3.93Å; Y138-Y154 HydrophobicContact CD2-CE1 3.93Å; Y138-Y154 HydrophobicContact CD2-CE2 4.2Å; Y138-Y154 AromaticContact CD2-CZ 3.57Å; Y138-Y154 WeakPolarHBondContact CD2-OH 3.24Å; Y138-Y154 HydrophobicContact CG-CE2 4.34Å |
| 139 | Q | 95.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 63.1 Ų | 63.1 | 41% | 0.407 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 176.5 | -69.1 | 176.3 | 10.9 | 0 | 0 | 112 | L117 E135 T136 L141 Q142 L143 | L117-Q139 VanDerWaalsContact CD2-OE1 3.29Å; E135-Q139 WeakPolarHBondContact O-CG 3.47Å; E135-Q139 PolarHBondContact O-N 3.07Å; T136-Q139 PolarHBondContact O-N 3.49Å; Q139-L141 VanDerWaalsContact C-N 3.31Å; Q139-L141 PolarHBondContact O-N 2.6Å; Q139-Q142 PolarHBondContact O-N 2.9Å; Q139-L143 WeakPolarHBondContact O-CG 3.48Å; Q139-L143 PolarHBondContact O-N 2.76Å |
| 140 | L | 95.6 | Very high | 94.7 | Very high | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 175.4 | -75.4 | 169.6 | 0 | 0 | 0 | 112.7 | L114 L117 T136 R137 Y138 R144 | L114-L140 HydrophobicContact CD2-CD2 4.05Å; L117-L140 HydrophobicContact CB-CD2 3.71Å; L117-L140 HydrophobicContact CB-CG 4.05Å; L117-L140 HydrophobicContact CD1-CD2 4.36Å; T136-L140 HydrophobicContact CG2-CD1 4.45Å; T136-L140 WeakPolarHBondContact O-CG 3.33Å; T136-L140 PolarHBondContact O-N 3.29Å; R137-L140 PolarHBondContact O-N 3.26Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.03Å; L140-R144 PolarHBondContact O-N 3.47Å |
| 141 | L | 95.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 174.9 | -177.9 | 65.4 | 0 | 0 | 0 | 112.1 | R137 Y138 Q139 L143 R144 P145 W151 Y154 | R137-L141 PolarHBondContact O-N 3.08Å; Y138-L141 WeakPolarHBondContact O-CB 3.08Å; Y138-L141 PolarHBondContact O-N 3.02Å; Y138-L141 VanDerWaalsContact O-N 3.14Å; Q139-L141 VanDerWaalsContact C-N 3.31Å; Q139-L141 PolarHBondContact O-N 2.6Å; L141-L143 PolarHBondContact O-N 2.79Å; L141-R144 CarbonylContact O-C 3.58Å; L141-R144 VanDerWaalsContact O-C 3.32Å; L141-R144 PolarHBondContact O-N 3.3Å; L141-P145 VanDerWaalsContact O-CA 3.31Å; L141-P145 WeakPolarHBondContact O-CA 3.39Å; L141-P145 WeakPolarHBondContact O-CD 3.37Å; L141-W151 HydrophobicContact CD1-CD2 3.84Å; L141-W151 HydrophobicContact CD1-CG 3.89Å; L141-W151 HydrophobicContact CD1-CZ2 4.34Å; L141-Y154 HydrophobicContact CD2-CD1 3.64Å; L141-Y154 HydrophobicContact CD2-CE1 4.2Å; L141-Y154 HydrophobicContact CD2-CG 4.39Å |
| 142 | Q | 95.2 | Very high | 94.5 | Very high | 116 Ų | 116 | 57 Ų | 57 | 54% | 0.542 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 176.5 | -66.2 | -57.3 | -40.2 | 0 | 0 | 112.1 | Y138 Q139 | Y138-Q142 HydrophobicContact CD1-CG 4.43Å; Y138-Q142 HydrophobicContact CD2-CG 4.47Å; Y138-Q142 HydrophobicContact CE1-CG 4.03Å; Y138-Q142 HydrophobicContact CE2-CG 4.1Å; Y138-Q142 WeakPolarHBondContact O-CG 3.34Å; Y138-Q142 PolarHBondContact O-N 3.32Å; Y138-Q142 PolarHBondContact OH-NE2 3.49Å; Q139-Q142 PolarHBondContact O-N 2.9Å |
| 143 | L | 94.8 | Very high | 94.4 | Very high | 63 Ų | 63 | 56.7 Ų | 56.7 | 33% | 0.33 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -74.7 | -32.5 | -180 | -66 | 171.8 | 0 | 0 | 0 | 112.9 | D112 L114 L117 Q139 L141 | D112-L143 HydrophobicContact CB-CD1 4.26Å; D112-L143 HydrophobicContact CB-CD2 4.15Å; L114-L143 HydrophobicContact CD2-CB 3.72Å; L114-L143 HydrophobicContact CD2-CD1 3.75Å; L114-L143 HydrophobicContact CD2-CG 4.39Å; L117-L143 HydrophobicContact CD1-CD1 3.57Å; Q139-L143 WeakPolarHBondContact O-CG 3.48Å; Q139-L143 PolarHBondContact O-N 2.76Å; L141-L143 PolarHBondContact O-N 2.79Å |
| 144 | R | 93.1 | Very high | 94.4 | Very high | 116 Ų | 116 | 57.5 Ų | 57.5 | 44% | 0.438 | 27% | 0.274 | S | S | . | . | trans | -140.1 | 73.4 | -176.3 | -66.2 | -64.9 | -174.9 | 168.3 | -0.9 | 111.7 | L114 L140 L141 T146 Q147 S150 | L114-R144 HydrophobicContact CD1-CG 3.91Å; L114-R144 VanDerWaalsContact CD1-NE 3.32Å; L114-R144 HydrophobicContact CD2-CG 3.88Å; L140-R144 PolarHBondContact O-N 3.47Å; L141-R144 CarbonylContact O-C 3.58Å; L141-R144 VanDerWaalsContact O-C 3.32Å; L141-R144 PolarHBondContact O-N 3.3Å; R144-T146 VanDerWaalsContact C-N 3.25Å; R144-T146 PolarHBondContact O-N 2.76Å; R144-Q147 HydrophobicContact CB-CB 4.47Å; R144-Q147 HydrophobicContact CB-CG 4.1Å; R144-Q147 PolarHBondContact O-N 3.32Å; R144-S150 PolarHBondContact O-OG 3.1Å | ||
| 145 | P | 91.9 | Very high | 94.4 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -18.1 | -179.4 | 28.1 | -35.2 | 0 | 0 | 0 | 113.4 | L141 Q147 W151 | L141-P145 VanDerWaalsContact O-CA 3.31Å; L141-P145 WeakPolarHBondContact O-CA 3.39Å; L141-P145 WeakPolarHBondContact O-CD 3.37Å; P145-Q147 VanDerWaalsContact C-N 3.29Å; P145-Q147 PolarHBondContact O-N 3.12Å; P145-W151 PolarHBondContact O-NE1 2.92Å |
| 146 | T | 90 | Very high | 94.4 | Very high | 126 Ų | 126 | 48.8 Ų | 48.8 | 77% | 0.773 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.8 | 179 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | R144 | R144-T146 VanDerWaalsContact C-N 3.25Å; R144-T146 PolarHBondContact O-N 2.76Å |
| 147 | Q | 89.9 | Confident | 94.4 | Very high | 94 Ų | 94 | 48.4 Ų | 48.4 | 44% | 0.439 | 24% | 0.235 | S | C | . | . | trans | -89.2 | 123.4 | -178.6 | -67.1 | -175.6 | 16.1 | 0 | 0 | 110.9 | R144 P145 A149 S150 | R144-Q147 HydrophobicContact CB-CB 4.47Å; R144-Q147 HydrophobicContact CB-CG 4.1Å; R144-Q147 PolarHBondContact O-N 3.32Å; P145-Q147 VanDerWaalsContact C-N 3.29Å; P145-Q147 PolarHBondContact O-N 3.12Å; Q147-A149 PolarHBondContact O-N 2.9Å; Q147-S150 WeakPolarHBondContact O-CB 3.25Å; Q147-S150 PolarHBondContact O-N 3.49Å | ||
| 148 | R | 90.9 | Very high | 94.5 | Very high | 98 Ų | 98 | 49 Ų | 49 | 37% | 0.37 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -51.7 | -43.3 | 176.2 | -60.8 | -170.1 | -64.7 | 171.3 | 7.1 | 112.7 | S150 W151 I152 F174 E188 | R148-S150 PolarHBondContact O-N 3.32Å; R148-W151 PolarHBondContact O-N 2.97Å; R148-I152 HydrophobicContact CB-CD1 4.19Å; R148-I152 WeakPolarHBondContact O-CD1 3.4Å; R148-I152 WeakPolarHBondContact O-CG1 3.18Å; R148-I152 PolarHBondContact O-N 3.5Å; R148-I152 VanDerWaalsContact O-N 3.08Å; R148-F174 HydrophobicContact CB-CE2 3.98Å; R148-F174 HydrophobicContact CB-CZ 3.73Å; R148-F174 HydrophobicContact CG-CE2 3.95Å; R148-F174 HydrophobicContact CG-CZ 3.84Å; R148-E188 IonicContact CZ-OE2 2.8Å; R148-E188 IonicContact NH1-OE2 3.79Å; R148-E188 PolarHBondContact NH1-OE2 3.07Å; R148-E188 IonicContact NH2-OE2 3.62Å; R148-E188 PolarHBondContact NH2-OE2 3.21Å |
| 149 | A | 90.9 | Very high | 94.6 | Very high | 35 Ų | 35 | 44 Ų | 44 | 29% | 0.289 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.4 | -27.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q147 G153 | Q147-A149 PolarHBondContact O-N 2.9Å; A149-G153 PolarHBondContact O-N 3.43Å |
| 150 | S | 92.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.6 | -45.7 | 177.2 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | R144 Q147 R148 Y154 | R144-S150 PolarHBondContact O-OG 3.1Å; Q147-S150 WeakPolarHBondContact O-CB 3.25Å; Q147-S150 PolarHBondContact O-N 3.49Å; R148-S150 PolarHBondContact O-N 3.32Å; S150-Y154 WeakPolarHBondContact O-CB 3.44Å; S150-Y154 PolarHBondContact O-N 3.23Å |
| 151 | W | 95 | Very high | 94.7 | Very high | 44 Ų | 44 | 43.1 Ų | 43.1 | 17% | 0.167 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.6 | -51.6 | 176.3 | -72.7 | 91.5 | 0 | 0 | 0 | 111.6 | L141 P145 R148 G153 Y154 A155 L170 E173 F174 | L141-W151 HydrophobicContact CD1-CD2 3.84Å; L141-W151 HydrophobicContact CD1-CG 3.89Å; L141-W151 HydrophobicContact CD1-CZ2 4.34Å; P145-W151 PolarHBondContact O-NE1 2.92Å; R148-W151 PolarHBondContact O-N 2.97Å; W151-G153 PolarHBondContact O-N 2.94Å; W151-Y154 PolarHBondContact O-N 3.28Å; W151-A155 WeakPolarHBondContact O-CB 3.44Å; W151-A155 PolarHBondContact O-N 3.41Å; W151-L170 HydrophobicContact CE3-CD2 4.44Å; W151-L170 HydrophobicContact CZ3-CD2 4.25Å; W151-E173 HydrophobicContact CH2-CB 4.34Å; W151-E173 HydrophobicContact CZ3-CB 3.9Å; W151-E173 WeakPolarHBondContact CZ3-OE2 3.38Å; W151-F174 HydrophobicContact CB-CB 4.04Å; W151-F174 HydrophobicContact CB-CD1 4.46Å; W151-F174 HydrophobicContact CB-CD2 3.41Å; W151-F174 VanDerWaalsContact CB-CD2 3.41Å; W151-F174 HydrophobicContact CB-CE2 3.97Å; W151-F174 HydrophobicContact CB-CG 3.71Å; W151-F174 AromaticContact CD1-CD2 3.75Å; W151-F174 HydrophobicContact CD2-CB 4.14Å; W151-F174 HydrophobicContact CD2-CD2 4.04Å; W151-F174 HydrophobicContact CD2-CG 4.47Å; W151-F174 HydrophobicContact CE3-CB 3.96Å; W151-F174 HydrophobicContact CG-CB 4.2Å; W151-F174 AromaticContact CG-CD2 3.43Å; W151-F174 HydrophobicContact CG-CD2 3.43Å; W151-F174 VanDerWaalsContact CG-CD2 3.43Å; W151-F174 HydrophobicContact CG-CE2 4.12Å; W151-F174 HydrophobicContact CG-CG 4.05Å |
| 152 | I | 94.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -46.6 | -177.7 | -66.3 | 157.8 | 0 | 0 | 0 | 110.9 | R148 Y154 A155 I156 F174 M530 M533 L535 | R148-I152 HydrophobicContact CB-CD1 4.19Å; R148-I152 WeakPolarHBondContact O-CD1 3.4Å; R148-I152 WeakPolarHBondContact O-CG1 3.18Å; R148-I152 PolarHBondContact O-N 3.5Å; R148-I152 VanDerWaalsContact O-N 3.08Å; I152-Y154 PolarHBondContact O-N 3.43Å; I152-A155 PolarHBondContact O-N 3.28Å; I152-I156 HydrophobicContact CG2-CD1 3.53Å; I152-I156 HydrophobicContact CG2-CG1 4.28Å; I152-I156 WeakPolarHBondContact O-CB 3.31Å; I152-I156 VanDerWaalsContact O-CG1 3.25Å; I152-I156 WeakPolarHBondContact O-CG1 3.26Å; I152-I156 PolarHBondContact O-N 3.03Å; I152-F174 HydrophobicContact CD1-CE1 4.04Å; I152-F174 HydrophobicContact CD1-CZ 4.1Å; I152-F174 HydrophobicContact CG1-CD1 4.35Å; I152-F174 HydrophobicContact CG1-CE1 3.83Å; I152-F174 HydrophobicContact CG1-CZ 4.2Å; I152-M530 HydrophobicContact CG2-CG 4.16Å; I152-M533 HydrophobicContact CD1-CE 3.7Å; I152-M533 HydrophobicContact CD1-SD 3.14Å; I152-M533 WeakPolarHBondContact CD1-SD 3.43Å; I152-M533 HydrophobicContact CG1-CE 4.37Å; I152-M533 HydrophobicContact CG1-SD 4.32Å; I152-L535 HydrophobicContact CG1-CD1 4.44Å; I152-L535 HydrophobicContact CG2-CD1 3.96Å; I152-L535 HydrophobicContact CG2-CD2 3.48Å; I152-L535 VanDerWaalsContact CG2-CD2 3.48Å; I152-L535 HydrophobicContact CG2-CG 4.38Å |
| 153 | G | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y133 A149 W151 A157 | Y133-G153 WeakPolarHBondContact CE1-O 3.39Å; A149-G153 PolarHBondContact O-N 3.43Å; W151-G153 PolarHBondContact O-N 2.94Å; G153-A157 PolarHBondContact O-N 3.05Å |
| 154 | Y | 97.1 | Very high | 95.1 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.6 | -41.4 | 177.4 | -166.5 | -137.9 | 0 | 0 | 0 | 112.7 | R134 R137 Y138 L141 S150 W151 I152 A157 Y158 M166 L170 | R134-Y154 HydrophobicContact CG-CD2 4.44Å; R134-Y154 HydrophobicContact CG-CE2 3.89Å; R137-Y154 HydrophobicContact CB-CD2 4.13Å; Y138-Y154 AromaticContact CD2-CE1 3.93Å; Y138-Y154 HydrophobicContact CD2-CE1 3.93Å; Y138-Y154 HydrophobicContact CD2-CE2 4.2Å; Y138-Y154 AromaticContact CD2-CZ 3.57Å; Y138-Y154 WeakPolarHBondContact CD2-OH 3.24Å; Y138-Y154 HydrophobicContact CG-CE2 4.34Å; L141-Y154 HydrophobicContact CD2-CD1 3.64Å; L141-Y154 HydrophobicContact CD2-CE1 4.2Å; L141-Y154 HydrophobicContact CD2-CG 4.39Å; S150-Y154 WeakPolarHBondContact O-CB 3.44Å; S150-Y154 PolarHBondContact O-N 3.23Å; W151-Y154 PolarHBondContact O-N 3.28Å; I152-Y154 PolarHBondContact O-N 3.43Å; Y154-A157 WeakPolarHBondContact O-CB 3.14Å; Y154-A157 PolarHBondContact O-N 3.4Å; Y154-Y158 HydrophobicContact CD1-CE2 4.35Å; Y154-Y158 HydrophobicContact CD2-CD2 4.39Å; Y154-Y158 HydrophobicContact CD2-CE2 4.05Å; Y154-Y158 AromaticContact CE1-CE2 3.79Å; Y154-Y158 HydrophobicContact CE1-CE2 3.79Å; Y154-Y158 HydrophobicContact CE2-CD2 4.18Å; Y154-Y158 AromaticContact CE2-CE2 3.42Å; Y154-Y158 HydrophobicContact CE2-CE2 3.42Å; Y154-Y158 VanDerWaalsContact CE2-CE2 3.42Å; Y154-Y158 HydrophobicContact CG-CE2 4.47Å; Y154-Y158 AromaticContact CZ-CE2 3.29Å; Y154-Y158 AromaticContact CZ-CZ 3.93Å; Y154-Y158 PolarHBondContact O-N 2.95Å; Y154-Y158 WeakPolarHBondContact OH-CE2 3.49Å; Y154-Y158 PolarHBondContact OH-OH 3.42Å; Y154-M166 HydrophobicContact CE1-CE 4.43Å; Y154-L170 HydrophobicContact CD1-CD1 3.38Å; Y154-L170 HydrophobicContact CD1-CD2 3.76Å; Y154-L170 HydrophobicContact CD1-CG 4.23Å; Y154-L170 HydrophobicContact CE1-CD1 3.75Å; Y154-L170 HydrophobicContact CE1-CD2 3.98Å; Y154-L170 HydrophobicContact CG-CD1 4.01Å |
| 155 | A | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W151 I152 A157 Y158 H159 L170 L171 | W151-A155 WeakPolarHBondContact O-CB 3.44Å; W151-A155 PolarHBondContact O-N 3.41Å; I152-A155 PolarHBondContact O-N 3.28Å; A155-A157 VanDerWaalsContact C-N 3.29Å; A155-A157 PolarHBondContact O-N 3.4Å; A155-Y158 PolarHBondContact O-N 3.03Å; A155-H159 WeakPolarHBondContact O-CB 3.25Å; A155-H159 PolarHBondContact O-N 2.77Å; A155-L170 HydrophobicContact CB-CB 4.18Å; A155-L171 HydrophobicContact CB-CD2 3.8Å; A155-L171 HydrophobicContact CB-CG 3.91Å |
| 156 | I | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 175.4 | -69 | 164.9 | 0 | 0 | 0 | 111 | I152 Y158 H159 L160 Y195 L535 Y538 | I152-I156 HydrophobicContact CG2-CD1 3.53Å; I152-I156 HydrophobicContact CG2-CG1 4.28Å; I152-I156 WeakPolarHBondContact O-CB 3.31Å; I152-I156 VanDerWaalsContact O-CG1 3.25Å; I152-I156 WeakPolarHBondContact O-CG1 3.26Å; I152-I156 PolarHBondContact O-N 3.03Å; I156-Y158 PolarHBondContact O-N 3.4Å; I156-H159 PolarHBondContact O-N 3.41Å; I156-L160 HydrophobicContact CG2-CD1 3.77Å; I156-L160 HydrophobicContact CG2-CG 4.06Å; I156-L160 WeakPolarHBondContact O-CB 3.22Å; I156-L160 VanDerWaalsContact O-CG 3.31Å; I156-L160 WeakPolarHBondContact O-CG 3.44Å; I156-L160 PolarHBondContact O-N 2.98Å; I156-Y195 HydrophobicContact CG1-CE1 4.45Å; I156-Y195 VanDerWaalsContact CG1-OH 3.31Å; I156-Y195 WeakPolarHBondContact CG1-OH 3.35Å; I156-L535 HydrophobicContact CD1-CD2 4.4Å; I156-Y538 HydrophobicContact CD1-CD1 3.87Å; I156-Y538 HydrophobicContact CD1-CE1 3.93Å; I156-Y538 HydrophobicContact CG2-CE1 4.25Å |
| 157 | A | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y133 R134 G153 Y154 A155 L160 L161 | Y133-A157 HydrophobicContact CD1-CB 3.56Å; Y133-A157 HydrophobicContact CE1-CB 3.79Å; R134-A157 HydrophobicContact CB-CB 3.94Å; R134-A157 HydrophobicContact CG-CB 4.34Å; G153-A157 PolarHBondContact O-N 3.05Å; Y154-A157 WeakPolarHBondContact O-CB 3.14Å; Y154-A157 PolarHBondContact O-N 3.4Å; A155-A157 VanDerWaalsContact C-N 3.29Å; A155-A157 PolarHBondContact O-N 3.4Å; A157-L160 PolarHBondContact O-N 3.3Å; A157-L161 WeakPolarHBondContact O-CG 3.32Å; A157-L161 PolarHBondContact O-N 3.04Å; A157-L161 VanDerWaalsContact O-N 3.1Å |
| 158 | Y | 98.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 36.2 Ų | 36.2 | 8% | 0.078 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.4 | -39.8 | 175.8 | -78.8 | -68.2 | 0 | 0 | 0 | 113.2 | R134 Y154 A155 I156 L160 L161 K162 D163 M166 L170 | R134-Y158 HydrophobicContact CG-CE1 4.44Å; R134-Y158 HydrophobicContact CG-CE2 4.44Å; Y154-Y158 HydrophobicContact CD1-CE2 4.35Å; Y154-Y158 HydrophobicContact CD2-CD2 4.39Å; Y154-Y158 HydrophobicContact CD2-CE2 4.05Å; Y154-Y158 AromaticContact CE1-CE2 3.79Å; Y154-Y158 HydrophobicContact CE1-CE2 3.79Å; Y154-Y158 HydrophobicContact CE2-CD2 4.18Å; Y154-Y158 AromaticContact CE2-CE2 3.42Å; Y154-Y158 HydrophobicContact CE2-CE2 3.42Å; Y154-Y158 VanDerWaalsContact CE2-CE2 3.42Å; Y154-Y158 HydrophobicContact CG-CE2 4.47Å; Y154-Y158 AromaticContact CZ-CE2 3.29Å; Y154-Y158 AromaticContact CZ-CZ 3.93Å; Y154-Y158 PolarHBondContact O-N 2.95Å; Y154-Y158 WeakPolarHBondContact OH-CE2 3.49Å; Y154-Y158 PolarHBondContact OH-OH 3.42Å; A155-Y158 PolarHBondContact O-N 3.03Å; I156-Y158 PolarHBondContact O-N 3.4Å; Y158-L160 VanDerWaalsContact C-N 3.34Å; Y158-L160 PolarHBondContact O-N 3.34Å; Y158-L161 CarbonylContact O-C 3.44Å; Y158-L161 PolarHBondContact O-N 3.29Å; Y158-L161 VanDerWaalsContact O-N 3.14Å; Y158-K162 PolarHBondContact O-N 2.97Å; Y158-D163 HydrophobicContact CD1-CB 3.75Å; Y158-D163 WeakPolarHBondContact CD1-OD2 3.48Å; Y158-D163 HydrophobicContact CG-CB 4.5Å; Y158-D163 PolarHBondContact O-N 3.33Å; Y158-M166 HydrophobicContact CD1-CB 3.94Å; Y158-M166 HydrophobicContact CD1-CG 4Å; Y158-M166 HydrophobicContact CD2-CB 4.18Å; Y158-M166 HydrophobicContact CD2-CG 3.6Å; Y158-M166 HydrophobicContact CE1-CB 4.14Å; Y158-M166 HydrophobicContact CE1-CG 3.86Å; Y158-M166 HydrophobicContact CE2-CB 4.35Å; Y158-M166 HydrophobicContact CE2-CE 4.26Å; Y158-M166 HydrophobicContact CE2-CG 3.41Å; Y158-M166 VanDerWaalsContact CE2-CG 3.41Å; Y158-M166 HydrophobicContact CG-CB 3.95Å; Y158-M166 HydrophobicContact CG-CG 3.89Å; Y158-L170 HydrophobicContact CD2-CD1 3.58Å; Y158-L170 HydrophobicContact CE2-CD1 3.9Å |
| 159 | H | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.5 | -179.4 | -171.3 | 0 | 0 | 0 | 111.3 | A155 I156 L161 K162 Y164 A167 Y195 E202 R543 | A155-H159 WeakPolarHBondContact O-CB 3.25Å; A155-H159 PolarHBondContact O-N 2.77Å; I156-H159 PolarHBondContact O-N 3.41Å; H159-L161 VanDerWaalsContact C-N 3.29Å; H159-L161 PolarHBondContact O-N 3.01Å; H159-K162 WeakPolarHBondContact O-CA 3.22Å; H159-K162 PolarHBondContact O-N 3.28Å; H159-Y164 AromaticContact CD2-CE1 3.85Å; H159-A167 HydrophobicContact CB-CB 4.18Å; H159-Y195 AromaticContact CE1-CE2 3.83Å; H159-Y195 AromaticContact ND1-CE2 3.5Å; H159-Y195 AromaticContact ND1-CZ 3.37Å; H159-Y195 PolarHBondContact ND1-OH 3.18Å; H159-E202 IonicContact CD2-OE2 2.97Å; H159-E202 IonicContact NE2-OE1 2.75Å; H159-E202 IonicContact NE2-OE2 3.75Å; H159-E202 PolarHBondContact NE2-OE2 3.35Å; H159-E202 VanDerWaalsContact NE2-OE2 3.08Å; H159-R543 PolarHBondContact NE2-NH2 3.26Å; H159-R543 VanDerWaalsContact NE2-NH2 3.18Å |
| 160 | L | 97.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -30.2 | 176.8 | -67 | 174.7 | 0 | 0 | 0 | 112.9 | I125 L130 I156 A157 Y158 K162 V539 L542 | I125-L160 HydrophobicContact CD1-CD1 3.77Å; I125-L160 HydrophobicContact CG1-CD1 4.49Å; L130-L160 HydrophobicContact CD1-CB 4.06Å; L130-L160 HydrophobicContact CD2-CB 4.01Å; L130-L160 HydrophobicContact CD2-CD1 3.97Å; I156-L160 HydrophobicContact CG2-CD1 3.77Å; I156-L160 HydrophobicContact CG2-CG 4.06Å; I156-L160 WeakPolarHBondContact O-CB 3.22Å; I156-L160 VanDerWaalsContact O-CG 3.31Å; I156-L160 WeakPolarHBondContact O-CG 3.44Å; I156-L160 PolarHBondContact O-N 2.98Å; A157-L160 PolarHBondContact O-N 3.3Å; Y158-L160 VanDerWaalsContact C-N 3.34Å; Y158-L160 PolarHBondContact O-N 3.34Å; L160-K162 PolarHBondContact O-N 3.36Å; L160-V539 HydrophobicContact CD2-CG1 4.38Å; L160-L542 HydrophobicContact CD1-CD1 3.8Å; L160-L542 HydrophobicContact CD2-CD1 4.24Å |
| 161 | L | 97.2 | Very high | 97 | Very high | 51 Ų | 51 | 36.2 Ų | 36.2 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -3.4 | 171.4 | -71.4 | 167.1 | 0 | 0 | 0 | 113.3 | L130 E131 R134 A157 Y158 H159 D163 | L130-L161 HydrophobicContact CB-CD2 3.61Å; L130-L161 HydrophobicContact CB-CG 4.03Å; L130-L161 HydrophobicContact CD1-CD2 4.2Å; E131-L161 HydrophobicContact CG-CD2 4.39Å; R134-L161 HydrophobicContact CB-CD1 4.09Å; R134-L161 HydrophobicContact CG-CD1 4.34Å; A157-L161 WeakPolarHBondContact O-CG 3.32Å; A157-L161 PolarHBondContact O-N 3.04Å; A157-L161 VanDerWaalsContact O-N 3.1Å; Y158-L161 CarbonylContact O-C 3.44Å; Y158-L161 PolarHBondContact O-N 3.29Å; Y158-L161 VanDerWaalsContact O-N 3.14Å; H159-L161 VanDerWaalsContact C-N 3.29Å; H159-L161 PolarHBondContact O-N 3.01Å; L161-D163 PolarHBondContact O-N 3.39Å |
| 162 | K | 96.9 | Very high | 97 | Very high | 154 Ų | 154 | 36.6 Ų | 36.6 | 67% | 0.67 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 24.1 | -175.4 | -52.2 | -176.1 | 178.2 | -174.3 | 0 | 114.3 | Y158 H159 L160 Y164 | Y158-K162 PolarHBondContact O-N 2.97Å; H159-K162 WeakPolarHBondContact O-CA 3.22Å; H159-K162 PolarHBondContact O-N 3.28Å; L160-K162 PolarHBondContact O-N 3.36Å; K162-Y164 VanDerWaalsContact C-N 3.33Å; K162-Y164 HydrophobicContact CB-CE2 3.94Å; K162-Y164 WeakPolarHBondContact O-CD2 3.41Å; K162-Y164 PolarHBondContact O-N 3.17Å |
| 163 | D | 97.6 | Very high | 96.9 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | trans | -88 | 81.3 | 166.9 | -175.9 | -16.8 | 0 | 0 | 0 | 107.9 | Y158 L161 M166 A167 | Y158-D163 HydrophobicContact CD1-CB 3.75Å; Y158-D163 WeakPolarHBondContact CD1-OD2 3.48Å; Y158-D163 HydrophobicContact CG-CB 4.5Å; Y158-D163 PolarHBondContact O-N 3.33Å; L161-D163 PolarHBondContact O-N 3.39Å; D163-M166 WeakPolarHBondContact OD1-CB 3.43Å; D163-M166 PolarHBondContact OD1-N 3.46Å; D163-M166 VanDerWaalsContact OD1-N 3.17Å; D163-A167 WeakPolarHBondContact O-CB 3.43Å; D163-A167 PolarHBondContact O-N 3.01Å | ||
| 164 | Y | 97.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 19% | 0.192 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69 | -35.5 | -173.6 | -59.4 | -69.3 | 0 | 0 | 0 | 112.3 | H159 K162 M166 A167 L168 V199 E202 A203 | H159-Y164 AromaticContact CD2-CE1 3.85Å; K162-Y164 VanDerWaalsContact C-N 3.33Å; K162-Y164 HydrophobicContact CB-CE2 3.94Å; K162-Y164 WeakPolarHBondContact O-CD2 3.41Å; K162-Y164 PolarHBondContact O-N 3.17Å; Y164-M166 PolarHBondContact O-N 3.27Å; Y164-A167 PolarHBondContact O-N 2.88Å; Y164-L168 WeakPolarHBondContact O-CB 3.23Å; Y164-L168 VanDerWaalsContact O-CG 3.28Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.41Å; Y164-V199 HydrophobicContact CD1-CG1 3.95Å; Y164-E202 HydrophobicContact CD1-CB 4.42Å; Y164-E202 HydrophobicContact CE1-CB 3.71Å; Y164-A203 HydrophobicContact CD1-CB 4.38Å; Y164-A203 HydrophobicContact CD2-CB 4.11Å; Y164-A203 HydrophobicContact CG-CB 3.78Å |
| 165 | D | 97.2 | Very high | 96.6 | Very high | 110 Ų | 110 | 42 Ų | 42 | 59% | 0.588 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -60 | -47.7 | -180 | -68.1 | -28.7 | 0 | 0 | 0 | 111.4 | K169 | D165-K169 VanDerWaalsContact O-CG 3.29Å; D165-K169 WeakPolarHBondContact O-CG 3.32Å; D165-K169 PolarHBondContact O-N 2.87Å; D165-K169 VanDerWaalsContact O-N 3.1Å |
| 166 | M | 96.8 | Very high | 96.3 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 28% | 0.281 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.8 | -38 | 179.3 | -168.3 | 59.5 | -175.6 | 0 | 0 | 111.7 | Y154 Y158 D163 Y164 L168 K169 L170 | Y154-M166 HydrophobicContact CE1-CE 4.43Å; Y158-M166 HydrophobicContact CD1-CB 3.94Å; Y158-M166 HydrophobicContact CD1-CG 4Å; Y158-M166 HydrophobicContact CD2-CB 4.18Å; Y158-M166 HydrophobicContact CD2-CG 3.6Å; Y158-M166 HydrophobicContact CE1-CB 4.14Å; Y158-M166 HydrophobicContact CE1-CG 3.86Å; Y158-M166 HydrophobicContact CE2-CB 4.35Å; Y158-M166 HydrophobicContact CE2-CE 4.26Å; Y158-M166 HydrophobicContact CE2-CG 3.41Å; Y158-M166 VanDerWaalsContact CE2-CG 3.41Å; Y158-M166 HydrophobicContact CG-CB 3.95Å; Y158-M166 HydrophobicContact CG-CG 3.89Å; D163-M166 WeakPolarHBondContact OD1-CB 3.43Å; D163-M166 PolarHBondContact OD1-N 3.46Å; D163-M166 VanDerWaalsContact OD1-N 3.17Å; Y164-M166 PolarHBondContact O-N 3.27Å; M166-L168 VanDerWaalsContact C-N 3.35Å; M166-L168 PolarHBondContact O-N 3.38Å; M166-K169 PolarHBondContact O-N 3.14Å; M166-K169 HydrophobicContact SD-CD 4.5Å; M166-L170 HydrophobicContact CE-CD1 4.22Å; M166-L170 HydrophobicContact CE-CD2 4.1Å; M166-L170 HydrophobicContact CE-CG 4.07Å; M166-L170 HydrophobicContact CG-CD1 4.27Å; M166-L170 VanDerWaalsContact O-CG 3.31Å; M166-L170 WeakPolarHBondContact O-CG 3.5Å; M166-L170 PolarHBondContact O-N 3.13Å |
| 167 | A | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H159 D163 Y164 L170 L171 V199 | H159-A167 HydrophobicContact CB-CB 4.18Å; D163-A167 WeakPolarHBondContact O-CB 3.43Å; D163-A167 PolarHBondContact O-N 3.01Å; Y164-A167 PolarHBondContact O-N 2.88Å; A167-L170 PolarHBondContact O-N 2.93Å; A167-L171 WeakPolarHBondContact O-CB 3.36Å; A167-L171 VanDerWaalsContact O-CG 3.24Å; A167-L171 WeakPolarHBondContact O-CG 3.35Å; A167-L171 PolarHBondContact O-N 3.1Å; A167-V199 HydrophobicContact CB-CG1 4.08Å |
| 168 | L | 97.6 | Very high | 95.2 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.8 | -42 | 179.2 | -71.6 | 172.7 | 0 | 0 | 0 | 112.6 | Y164 M166 L170 L171 E172 Q196 V199 M200 L205 | Y164-L168 WeakPolarHBondContact O-CB 3.23Å; Y164-L168 VanDerWaalsContact O-CG 3.28Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.41Å; M166-L168 VanDerWaalsContact C-N 3.35Å; M166-L168 PolarHBondContact O-N 3.38Å; L168-L170 PolarHBondContact O-N 3.18Å; L168-L171 PolarHBondContact O-N 3Å; L168-E172 WeakPolarHBondContact O-CB 3.5Å; L168-E172 PolarHBondContact O-N 3.47Å; L168-Q196 HydrophobicContact CD2-CG 4.06Å; L168-V199 HydrophobicContact CD1-CG1 4.42Å; L168-V199 HydrophobicContact CD2-CB 3.76Å; L168-V199 HydrophobicContact CD2-CG1 3.62Å; L168-V199 HydrophobicContact CG-CB 4.38Å; L168-V199 HydrophobicContact CG-CG1 3.67Å; L168-M200 HydrophobicContact CD1-CG 4.04Å; L168-M200 HydrophobicContact CD2-CE 4.29Å; L168-M200 HydrophobicContact CD2-CG 3.54Å; L168-M200 HydrophobicContact CG-CG 4.47Å; L168-L205 HydrophobicContact CD1-CD1 3.75Å |
| 169 | K | 96.9 | Very high | 94.1 | Very high | 129 Ų | 129 | 62.3 Ų | 62.3 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.1 | -48.6 | 174.4 | -74.7 | 169.8 | -174.2 | 169.7 | 0 | 111.6 | D165 M166 L171 E172 E173 | D165-K169 VanDerWaalsContact O-CG 3.29Å; D165-K169 WeakPolarHBondContact O-CG 3.32Å; D165-K169 PolarHBondContact O-N 2.87Å; D165-K169 VanDerWaalsContact O-N 3.1Å; M166-K169 PolarHBondContact O-N 3.14Å; M166-K169 HydrophobicContact SD-CD 4.5Å; K169-L171 PolarHBondContact O-N 3.09Å; K169-E172 PolarHBondContact O-N 3.08Å; K169-E173 WeakPolarHBondContact O-CG 3.42Å; K169-E173 PolarHBondContact O-N 3.31Å |
| 170 | L | 96.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 178.9 | -70.8 | 170.1 | 0 | 0 | 0 | 112.6 | W151 Y154 A155 Y158 M166 A167 L168 F174 | W151-L170 HydrophobicContact CE3-CD2 4.44Å; W151-L170 HydrophobicContact CZ3-CD2 4.25Å; Y154-L170 HydrophobicContact CD1-CD1 3.38Å; Y154-L170 HydrophobicContact CD1-CD2 3.76Å; Y154-L170 HydrophobicContact CD1-CG 4.23Å; Y154-L170 HydrophobicContact CE1-CD1 3.75Å; Y154-L170 HydrophobicContact CE1-CD2 3.98Å; Y154-L170 HydrophobicContact CG-CD1 4.01Å; A155-L170 HydrophobicContact CB-CB 4.18Å; Y158-L170 HydrophobicContact CD2-CD1 3.58Å; Y158-L170 HydrophobicContact CE2-CD1 3.9Å; M166-L170 HydrophobicContact CE-CD1 4.22Å; M166-L170 HydrophobicContact CE-CD2 4.1Å; M166-L170 HydrophobicContact CE-CG 4.07Å; M166-L170 HydrophobicContact CG-CD1 4.27Å; M166-L170 VanDerWaalsContact O-CG 3.31Å; M166-L170 WeakPolarHBondContact O-CG 3.5Å; M166-L170 PolarHBondContact O-N 3.13Å; A167-L170 PolarHBondContact O-N 2.93Å; L168-L170 PolarHBondContact O-N 3.18Å; L170-F174 WeakPolarHBondContact O-CB 3.49Å; L170-F174 PolarHBondContact O-N 3.26Å |
| 171 | L | 96.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 177.4 | -73.3 | 172.5 | 0 | 0 | 0 | 111.6 | A155 A167 L168 K169 F174 R175 L192 Y195 Q196 V199 | A155-L171 HydrophobicContact CB-CD2 3.8Å; A155-L171 HydrophobicContact CB-CG 3.91Å; A167-L171 WeakPolarHBondContact O-CB 3.36Å; A167-L171 VanDerWaalsContact O-CG 3.24Å; A167-L171 WeakPolarHBondContact O-CG 3.35Å; A167-L171 PolarHBondContact O-N 3.1Å; L168-L171 PolarHBondContact O-N 3Å; K169-L171 PolarHBondContact O-N 3.09Å; L171-F174 PolarHBondContact O-N 3.06Å; L171-R175 WeakPolarHBondContact O-CB 3.49Å; L171-R175 PolarHBondContact O-N 3.21Å; L171-L192 HydrophobicContact CD2-CD1 3.9Å; L171-Y195 HydrophobicContact CD1-CD1 3.83Å; L171-Y195 HydrophobicContact CD1-CE1 3.8Å; L171-Y195 HydrophobicContact CD2-CD1 3.87Å; L171-Y195 HydrophobicContact CD2-CE1 3.92Å; L171-Y195 HydrophobicContact CG-CE1 4.47Å; L171-Q196 HydrophobicContact CB-CB 4.49Å; L171-Q196 HydrophobicContact CB-CG 4.19Å; L171-Q196 HydrophobicContact CD1-CB 4.28Å; L171-Q196 HydrophobicContact CD1-CG 4.44Å; L171-V199 HydrophobicContact CD1-CG2 3.99Å |
| 172 | E | 94.9 | Very high | 91.1 | Very high | 51 Ų | 51 | 67.5 Ų | 67.5 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.6 | -47.9 | 178.5 | -177.7 | 52.6 | -152.1 | 0 | 0 | 111.5 | L168 K169 F174 R175 Q176 Q196 | L168-E172 WeakPolarHBondContact O-CB 3.5Å; L168-E172 PolarHBondContact O-N 3.47Å; K169-E172 PolarHBondContact O-N 3.08Å; E172-F174 VanDerWaalsContact C-N 3.32Å; E172-F174 PolarHBondContact O-N 3.04Å; E172-R175 VanDerWaalsContact CD-NH2 3.3Å; E172-R175 PolarHBondContact O-N 2.88Å; E172-R175 IonicContact OE1-CZ 3.33Å; E172-R175 IonicContact OE1-NE 2.71Å; E172-R175 IonicContact OE1-NH2 2.71Å; E172-R175 PolarHBondContact OE1-NH2 3.46Å; E172-R175 IonicContact OE2-CZ 3.62Å; E172-R175 IonicContact OE2-NE 2.93Å; E172-R175 PolarHBondContact OE2-NE 3.16Å; E172-R175 IonicContact OE2-NH2 3.99Å; E172-R175 PolarHBondContact OE2-NH2 3.24Å; E172-R175 VanDerWaalsContact OE2-NH2 3.1Å; E172-Q176 WeakPolarHBondContact O-CG 3.43Å; E172-Q176 PolarHBondContact O-N 3.37Å; E172-Q176 PolarHBondContact OE1-NE2 3.44Å; E172-Q196 PolarHBondContact OE2-NE2 3.5Å |
| 173 | E | 93.9 | Very high | 90 | Very high | 105 Ų | 105 | 67.7 Ų | 67.7 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.5 | -48.1 | 173 | -74.3 | 178.6 | -173.8 | 0 | 0 | 111 | W151 K169 R175 Q176 T177 | W151-E173 HydrophobicContact CH2-CB 4.34Å; W151-E173 HydrophobicContact CZ3-CB 3.9Å; W151-E173 WeakPolarHBondContact CZ3-OE2 3.38Å; K169-E173 WeakPolarHBondContact O-CG 3.42Å; K169-E173 PolarHBondContact O-N 3.31Å; E173-R175 PolarHBondContact O-N 3.44Å; E173-Q176 PolarHBondContact O-N 3.23Å; E173-T177 WeakPolarHBondContact O-CG2 3.5Å; E173-T177 PolarHBondContact O-N 3.07Å |
| 174 | F | 93.9 | Very high | 89.3 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 178.6 | 178 | -117.5 | 0 | 0 | 0 | 112.2 | R148 W151 I152 L170 L171 E172 Q176 T177 Q178 L192 M533 | R148-F174 HydrophobicContact CB-CE2 3.98Å; R148-F174 HydrophobicContact CB-CZ 3.73Å; R148-F174 HydrophobicContact CG-CE2 3.95Å; R148-F174 HydrophobicContact CG-CZ 3.84Å; W151-F174 HydrophobicContact CB-CB 4.04Å; W151-F174 HydrophobicContact CB-CD1 4.46Å; W151-F174 HydrophobicContact CB-CD2 3.41Å; W151-F174 VanDerWaalsContact CB-CD2 3.41Å; W151-F174 HydrophobicContact CB-CE2 3.97Å; W151-F174 HydrophobicContact CB-CG 3.71Å; W151-F174 AromaticContact CD1-CD2 3.75Å; W151-F174 HydrophobicContact CD2-CB 4.14Å; W151-F174 HydrophobicContact CD2-CD2 4.04Å; W151-F174 HydrophobicContact CD2-CG 4.47Å; W151-F174 HydrophobicContact CE3-CB 3.96Å; W151-F174 HydrophobicContact CG-CB 4.2Å; W151-F174 AromaticContact CG-CD2 3.43Å; W151-F174 HydrophobicContact CG-CD2 3.43Å; W151-F174 VanDerWaalsContact CG-CD2 3.43Å; W151-F174 HydrophobicContact CG-CE2 4.12Å; W151-F174 HydrophobicContact CG-CG 4.05Å; I152-F174 HydrophobicContact CD1-CE1 4.04Å; I152-F174 HydrophobicContact CD1-CZ 4.1Å; I152-F174 HydrophobicContact CG1-CD1 4.35Å; I152-F174 HydrophobicContact CG1-CE1 3.83Å; I152-F174 HydrophobicContact CG1-CZ 4.2Å; L170-F174 WeakPolarHBondContact O-CB 3.49Å; L170-F174 PolarHBondContact O-N 3.26Å; L171-F174 PolarHBondContact O-N 3.06Å; E172-F174 VanDerWaalsContact C-N 3.32Å; E172-F174 PolarHBondContact O-N 3.04Å; F174-Q176 PolarHBondContact O-N 3.45Å; F174-T177 WeakPolarHBondContact O-CB 3.44Å; F174-T177 PolarHBondContact O-N 3.32Å; F174-T177 VanDerWaalsContact O-N 3.13Å; F174-T177 PolarHBondContact O-OG1 3.17Å; F174-Q178 HydrophobicContact CE1-CG 4.48Å; F174-Q178 HydrophobicContact CZ-CG 4.4Å; F174-Q178 VanDerWaalsContact CZ-NE2 3.32Å; F174-Q178 PolarHBondContact O-N 3.05Å; F174-L192 HydrophobicContact CD1-CD1 4.01Å; F174-L192 HydrophobicContact CD1-CD2 3.83Å; F174-L192 HydrophobicContact CE1-CD1 4.16Å; F174-L192 HydrophobicContact CE1-CD2 3.78Å; F174-M533 HydrophobicContact CE1-CE 4.09Å |
| 175 | R | 92.1 | Very high | 88.7 | Confident | 22 Ų | 22 | 72 Ų | 72 | 8% | 0.083 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.2 | -171.6 | -172.1 | 68.3 | 82.6 | -3.3 | 111.6 | L171 E172 E173 T177 Q178 Y189 L192 Y216 | L171-R175 WeakPolarHBondContact O-CB 3.49Å; L171-R175 PolarHBondContact O-N 3.21Å; E172-R175 VanDerWaalsContact CD-NH2 3.3Å; E172-R175 PolarHBondContact O-N 2.88Å; E172-R175 IonicContact OE1-CZ 3.33Å; E172-R175 IonicContact OE1-NE 2.71Å; E172-R175 IonicContact OE1-NH2 2.71Å; E172-R175 PolarHBondContact OE1-NH2 3.46Å; E172-R175 IonicContact OE2-CZ 3.62Å; E172-R175 IonicContact OE2-NE 2.93Å; E172-R175 PolarHBondContact OE2-NE 3.16Å; E172-R175 IonicContact OE2-NH2 3.99Å; E172-R175 PolarHBondContact OE2-NH2 3.24Å; E172-R175 VanDerWaalsContact OE2-NH2 3.1Å; E173-R175 PolarHBondContact O-N 3.44Å; R175-T177 PolarHBondContact O-N 2.93Å; R175-Q178 WeakPolarHBondContact O-CB 3.4Å; R175-Q178 PolarHBondContact O-N 3.45Å; R175-Y189 HydrophobicContact CG-CE2 3.71Å; R175-Y189 PolarHBondContact NH1-OH 3.12Å; R175-L192 HydrophobicContact CB-CD2 4.26Å; R175-L192 HydrophobicContact CG-CD2 4.36Å; R175-Y216 VanDerWaalsContact CZ-OH 3.22Å; R175-Y216 VanDerWaalsContact NH1-CE1 3.34Å; R175-Y216 PolarHBondContact NH1-OH 3.31Å; R175-Y216 PolarHBondContact NH2-OH 2.81Å |
| 176 | Q | 90.4 | Very high | 88.5 | Confident | 135 Ų | 135 | 69.1 Ų | 69.1 | 63% | 0.631 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.6 | -27.3 | 175.4 | -70.3 | 175.4 | 14.5 | 0 | 0 | 112.7 | E172 E173 F174 Q178 | E172-Q176 WeakPolarHBondContact O-CG 3.43Å; E172-Q176 PolarHBondContact O-N 3.37Å; E172-Q176 PolarHBondContact OE1-NE2 3.44Å; E173-Q176 PolarHBondContact O-N 3.23Å; F174-Q176 PolarHBondContact O-N 3.45Å; Q176-Q178 VanDerWaalsContact C-N 3.32Å |
| 177 | T | 89.3 | Confident | 88.4 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -74 | -20.4 | 172.5 | 73.5 | 0 | 0 | 0 | 0 | 113.7 | E173 F174 R175 Q179 | E173-T177 WeakPolarHBondContact O-CG2 3.5Å; E173-T177 PolarHBondContact O-N 3.07Å; F174-T177 WeakPolarHBondContact O-CB 3.44Å; F174-T177 PolarHBondContact O-N 3.32Å; F174-T177 VanDerWaalsContact O-N 3.13Å; F174-T177 PolarHBondContact O-OG1 3.17Å; R175-T177 PolarHBondContact O-N 2.93Å; T177-Q179 PolarHBondContact O-N 3.12Å |
| 178 | Q | 83.8 | Confident | 88.1 | Confident | 44 Ų | 44 | 74.6 Ų | 74.6 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | trans | -80.7 | 101.7 | 179.5 | -56.9 | -55 | -61.2 | 0 | 0 | 109.5 | F174 R175 Q176 V180 Y189 L192 | F174-Q178 HydrophobicContact CE1-CG 4.48Å; F174-Q178 HydrophobicContact CZ-CG 4.4Å; F174-Q178 VanDerWaalsContact CZ-NE2 3.32Å; F174-Q178 PolarHBondContact O-N 3.05Å; R175-Q178 WeakPolarHBondContact O-CB 3.4Å; R175-Q178 PolarHBondContact O-N 3.45Å; Q176-Q178 VanDerWaalsContact C-N 3.32Å; Q178-V180 VanDerWaalsContact C-N 3.29Å; Q178-V180 HydrophobicContact CB-CG2 4.45Å; Q178-V180 PolarHBondContact O-N 2.85Å; Q178-Y189 HydrophobicContact CB-CD2 3.92Å; Q178-Y189 HydrophobicContact CB-CE2 3.81Å; Q178-Y189 HydrophobicContact CG-CD2 4.35Å; Q178-Y189 HydrophobicContact CG-CE2 4.43Å; Q178-L192 HydrophobicContact CG-CD2 4.2Å | ||
| 179 | Q | 73.5 | Confident | 88 | Confident | 192 Ų | 192 | 74.5 Ų | 74.5 | 90% | 0.897 | 37% | 0.369 | S | S | * | . | trans | -79.1 | 72.7 | 177.9 | -65 | -176.8 | 1.4 | 0 | 0 | 111.6 | T177 | T177-Q179 PolarHBondContact O-N 3.12Š| ||
| 180 | V | 78.9 | Confident | 87.9 | Confident | 35 Ų | 35 | 68.3 Ų | 68.3 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | trans | -99.6 | 124.9 | 175.6 | -176.2 | 0 | 0 | 0 | 0 | 110 | Q178 D186 Y189 | Q178-V180 VanDerWaalsContact C-N 3.29Å; Q178-V180 HydrophobicContact CB-CG2 4.45Å; Q178-V180 PolarHBondContact O-N 2.85Å; V180-D186 HydrophobicContact CG1-CB 4.17Å; V180-Y189 HydrophobicContact CB-CD1 3.86Å; V180-Y189 HydrophobicContact CB-CD2 4.47Å; V180-Y189 HydrophobicContact CB-CE1 4.06Å; V180-Y189 HydrophobicContact CB-CG 4.09Å; V180-Y189 HydrophobicContact CG1-CD1 3.91Å; V180-Y189 HydrophobicContact CG1-CE1 4.4Å; V180-Y189 HydrophobicContact CG1-CG 4.35Å; V180-Y189 HydrophobicContact CG2-CD1 4.03Å; V180-Y189 HydrophobicContact CG2-CD2 3.92Å; V180-Y189 HydrophobicContact CG2-CE2 4.43Å; V180-Y189 HydrophobicContact CG2-CG 3.72Å | ||
| 181 | P | 76.2 | Confident | 87.9 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | trans | -59.4 | 138.4 | 177.7 | -24.3 | 33.5 | 0 | 0 | 0 | 111.9 | N183 K184 | P181-N183 PolarHBondContact O-N 2.91Å; P181-K184 HydrophobicContact CB-CB 4.27Å; P181-K184 PolarHBondContact O-N 3.22Å | ||
| 182 | P | 75 | Confident | 87.9 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22.8 | -176 | -27.8 | 34.7 | 0 | 0 | 0 | 115.8 | Q219 | P182-Q219 VanDerWaalsContact O-CG 3.27Å; P182-Q219 WeakPolarHBondContact O-CG 3.34Å |
| 183 | N | 73.7 | Confident | 87.9 | Confident | 158 Ų | 158 | 66.1 Ų | 66.1 | 85% | 0.845 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 0.5 | -178.2 | -64.7 | -9.7 | 0 | 0 | 0 | 113.2 | P181 | P181-N183 PolarHBondContact O-N 2.91Š|
| 184 | K | 83.4 | Confident | 88.1 | Confident | 116 Ų | 116 | 61.2 Ų | 61.2 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | trans | -103.7 | 123.5 | 178.3 | -174.1 | -177 | 175.7 | -167.1 | 0 | 109.3 | P181 D186 | P181-K184 HydrophobicContact CB-CB 4.27Å; P181-K184 PolarHBondContact O-N 3.22Å; K184-D186 PolarHBondContact O-N 3.06Å | ||
| 185 | I | 84.6 | Confident | 88.3 | Confident | 91 Ų | 91 | 61 Ų | 61 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | trans | -82.8 | 115.9 | 169 | -60.3 | 176.2 | 0 | 0 | 0 | 107.5 | K218 C221 | I185-K218 WeakPolarHBondContact CG1-O 3.21Å; I185-C221 HydrophobicContact CG2-CB 3.59Å | ||
| 186 | D | 92.7 | Very high | 88.6 | Confident | 51 Ų | 51 | 60.1 Ų | 60.1 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | trans | -116.8 | 127.7 | 173.2 | -176.9 | -85.4 | 0 | 0 | 0 | 108.6 | V180 K184 E188 Y189 S190 | V180-D186 HydrophobicContact CG1-CB 4.17Å; K184-D186 PolarHBondContact O-N 3.06Å; D186-E188 PolarHBondContact O-N 3.43Å; D186-E188 WeakPolarHBondContact OD1-CB 3.43Å; D186-E188 PolarHBondContact OD1-N 2.96Å; D186-E188 VanDerWaalsContact OD1-N 3.14Å; D186-Y189 PolarHBondContact O-N 2.99Å; D186-Y189 PolarHBondContact OD1-N 3.35Å; D186-Y189 VanDerWaalsContact OD1-N 3.09Å; D186-S190 VanDerWaalsContact O-CB 3.25Å; D186-S190 WeakPolarHBondContact O-CB 3.35Å; D186-S190 PolarHBondContact O-N 2.98Å | ||
| 187 | Y | 94.1 | Very high | 88.9 | Confident | 120 Ų | 120 | 53.7 Ų | 53.7 | 47% | 0.471 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | -173.2 | 176.1 | -96.7 | 0 | 0 | 0 | 112.2 | Y189 S190 E191 T534 | Y187-Y189 VanDerWaalsContact C-N 3.3Å; Y187-Y189 PolarHBondContact O-N 3.04Å; Y187-S190 WeakPolarHBondContact O-CB 3.46Å; Y187-S190 PolarHBondContact O-N 3.04Å; Y187-E191 HydrophobicContact CE1-CG 3.94Å; Y187-E191 HydrophobicContact CE2-CG 4.26Å; Y187-E191 PolarHBondContact O-N 3.17Å; Y187-T534 HydrophobicContact CE1-CG2 4.11Å |
| 188 | E | 93.3 | Very high | 89.3 | Confident | 52 Ų | 52 | 50.8 Ų | 50.8 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | -178.6 | -72.1 | -170.1 | 178.9 | 0 | 0 | 111.1 | R148 D186 L192 M533 | R148-E188 IonicContact CZ-OE2 2.8Å; R148-E188 IonicContact NH1-OE2 3.79Å; R148-E188 PolarHBondContact NH1-OE2 3.07Å; R148-E188 IonicContact NH2-OE2 3.62Å; R148-E188 PolarHBondContact NH2-OE2 3.21Å; D186-E188 PolarHBondContact O-N 3.43Å; D186-E188 WeakPolarHBondContact OD1-CB 3.43Å; D186-E188 PolarHBondContact OD1-N 2.96Å; D186-E188 VanDerWaalsContact OD1-N 3.14Å; E188-L192 PolarHBondContact O-N 2.7Å; E188-L192 VanDerWaalsContact O-N 3.16Å; E188-M533 HydrophobicContact CB-CB 3.78Å; E188-M533 HydrophobicContact CB-CG 3.75Å; E188-M533 HydrophobicContact CG-CB 3.9Å; E188-M533 HydrophobicContact CG-CG 3.88Å |
| 189 | Y | 94.3 | Very high | 90 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 6% | 0.059 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.5 | -39.4 | 176 | -169.9 | -115.6 | 0 | 0 | 0 | 112.6 | R175 Q178 V180 D186 Y187 E191 L192 I193 Q219 | R175-Y189 HydrophobicContact CG-CE2 3.71Å; R175-Y189 PolarHBondContact NH1-OH 3.12Å; Q178-Y189 HydrophobicContact CB-CD2 3.92Å; Q178-Y189 HydrophobicContact CB-CE2 3.81Å; Q178-Y189 HydrophobicContact CG-CD2 4.35Å; Q178-Y189 HydrophobicContact CG-CE2 4.43Å; V180-Y189 HydrophobicContact CB-CD1 3.86Å; V180-Y189 HydrophobicContact CB-CD2 4.47Å; V180-Y189 HydrophobicContact CB-CE1 4.06Å; V180-Y189 HydrophobicContact CB-CG 4.09Å; V180-Y189 HydrophobicContact CG1-CD1 3.91Å; V180-Y189 HydrophobicContact CG1-CE1 4.4Å; V180-Y189 HydrophobicContact CG1-CG 4.35Å; V180-Y189 HydrophobicContact CG2-CD1 4.03Å; V180-Y189 HydrophobicContact CG2-CD2 3.92Å; V180-Y189 HydrophobicContact CG2-CE2 4.43Å; V180-Y189 HydrophobicContact CG2-CG 3.72Å; D186-Y189 PolarHBondContact O-N 2.99Å; D186-Y189 PolarHBondContact OD1-N 3.35Å; D186-Y189 VanDerWaalsContact OD1-N 3.09Å; Y187-Y189 VanDerWaalsContact C-N 3.3Å; Y187-Y189 PolarHBondContact O-N 3.04Å; Y189-E191 VanDerWaalsContact C-N 3.34Å; Y189-E191 PolarHBondContact O-N 3.2Å; Y189-L192 HydrophobicContact CD2-CD2 4.31Å; Y189-L192 HydrophobicContact CE2-CD2 4.5Å; Y189-L192 WeakPolarHBondContact O-CB 3.47Å; Y189-L192 PolarHBondContact O-N 2.84Å; Y189-I193 HydrophobicContact CD1-CD1 3.8Å; Y189-I193 HydrophobicContact CE1-CD1 3.58Å; Y189-I193 HydrophobicContact CE1-CG1 4.3Å; Y189-I193 VanDerWaalsContact O-CG1 3.32Å; Y189-I193 WeakPolarHBondContact O-CG1 3.38Å; Y189-I193 PolarHBondContact O-N 3.24Å; Y189-Q219 VanDerWaalsContact CE1-OE1 3.28Å |
| 190 | S | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.7 | -45.8 | 172.1 | 174 | 0 | 0 | 0 | 0 | 111.6 | D186 Y187 I193 L194 I220 C221 | D186-S190 VanDerWaalsContact O-CB 3.25Å; D186-S190 WeakPolarHBondContact O-CB 3.35Å; D186-S190 PolarHBondContact O-N 2.98Å; Y187-S190 WeakPolarHBondContact O-CB 3.46Å; Y187-S190 PolarHBondContact O-N 3.04Å; S190-I193 PolarHBondContact O-N 3.36Å; S190-L194 WeakPolarHBondContact O-CG 3.37Å; S190-L194 PolarHBondContact O-N 2.85Å; S190-L194 VanDerWaalsContact O-N 3.07Å; S190-I220 WeakPolarHBondContact OG-CA 3.42Å; S190-C221 PolarHBondContact OG-N 2.8Å; S190-C221 PolarHBondContact OG-SG 3.4Å |
| 191 | E | 96.1 | Very high | 92 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 175.4 | -80.5 | -61 | 138.2 | 0 | 0 | 112.9 | Y187 Y189 I193 L194 Y195 M533 R536 | Y187-E191 HydrophobicContact CE1-CG 3.94Å; Y187-E191 HydrophobicContact CE2-CG 4.26Å; Y187-E191 PolarHBondContact O-N 3.17Å; Y189-E191 VanDerWaalsContact C-N 3.34Å; Y189-E191 PolarHBondContact O-N 3.2Å; E191-I193 PolarHBondContact O-N 2.99Å; E191-L194 PolarHBondContact O-N 2.75Å; E191-Y195 VanDerWaalsContact O-CB 3.31Å; E191-Y195 WeakPolarHBondContact O-CB 3.46Å; E191-Y195 PolarHBondContact O-N 2.72Å; E191-M533 WeakPolarHBondContact CB-O 3.32Å; E191-R536 IonicContact OE1-CZ 3.35Å; E191-R536 IonicContact OE1-NE 3.08Å; E191-R536 IonicContact OE1-NH2 2.74Å; E191-R536 PolarHBondContact OE1-NH2 3.44Å; E191-R536 IonicContact OE2-CZ 2.78Å; E191-R536 VanDerWaalsContact OE2-CZ 3.3Å; E191-R536 IonicContact OE2-NE 2.73Å; E191-R536 PolarHBondContact OE2-NE 3.16Å; E191-R536 IonicContact OE2-NH2 3.75Å; E191-R536 PolarHBondContact OE2-NH2 3.01Å |
| 192 | L | 95.7 | Very high | 93 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.9 | 177.1 | 63.6 | 0 | 0 | 0 | 111.6 | L171 F174 R175 Q178 E188 Y189 Y195 Q196 M533 L535 | L171-L192 HydrophobicContact CD2-CD1 3.9Å; F174-L192 HydrophobicContact CD1-CD1 4.01Å; F174-L192 HydrophobicContact CD1-CD2 3.83Å; F174-L192 HydrophobicContact CE1-CD1 4.16Å; F174-L192 HydrophobicContact CE1-CD2 3.78Å; R175-L192 HydrophobicContact CB-CD2 4.26Å; R175-L192 HydrophobicContact CG-CD2 4.36Å; Q178-L192 HydrophobicContact CG-CD2 4.2Å; E188-L192 PolarHBondContact O-N 2.7Å; E188-L192 VanDerWaalsContact O-N 3.16Å; Y189-L192 HydrophobicContact CD2-CD2 4.31Å; Y189-L192 HydrophobicContact CE2-CD2 4.5Å; Y189-L192 WeakPolarHBondContact O-CB 3.47Å; Y189-L192 PolarHBondContact O-N 2.84Å; L192-Y195 PolarHBondContact O-N 3.47Å; L192-Q196 PolarHBondContact O-N 3.4Å; L192-M533 HydrophobicContact CB-CE 4.05Å; L192-M533 HydrophobicContact CD1-CE 4.23Å; L192-M533 HydrophobicContact CD2-CE 4.46Å; L192-M533 HydrophobicContact CG-CE 4.48Å; L192-L535 HydrophobicContact CD1-CD1 4.2Å |
| 193 | I | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -48.7 | 177.3 | -64.6 | 167.1 | 0 | 0 | 0 | 109.9 | Y189 S190 E191 Y195 Q196 N197 H212 Y216 Q219 I220 | Y189-I193 HydrophobicContact CD1-CD1 3.8Å; Y189-I193 HydrophobicContact CE1-CD1 3.58Å; Y189-I193 HydrophobicContact CE1-CG1 4.3Å; Y189-I193 VanDerWaalsContact O-CG1 3.32Å; Y189-I193 WeakPolarHBondContact O-CG1 3.38Å; Y189-I193 PolarHBondContact O-N 3.24Å; S190-I193 PolarHBondContact O-N 3.36Å; E191-I193 PolarHBondContact O-N 2.99Å; I193-Y195 VanDerWaalsContact C-N 3.28Å; I193-Y195 PolarHBondContact O-N 2.66Å; I193-Q196 PolarHBondContact O-N 3.45Å; I193-N197 WeakPolarHBondContact O-CB 3.46Å; I193-N197 PolarHBondContact O-N 3.43Å; I193-H212 PolarHBondContact O-CE1 3.34Å; I193-Y216 HydrophobicContact CD1-CG 4.29Å; I193-Y216 HydrophobicContact CG2-CD2 4.3Å; I193-Y216 HydrophobicContact CG2-CG 4.2Å; I193-Q219 HydrophobicContact CD1-CB 4.18Å; I193-I220 HydrophobicContact CB-CG1 4.43Å; I193-I220 HydrophobicContact CD1-CG1 4.47Å; I193-I220 HydrophobicContact CG2-CD1 3.77Å; I193-I220 HydrophobicContact CG2-CG1 4.02Å |
| 194 | L | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -34.3 | 178.7 | -70.2 | 171.2 | 0 | 0 | 0 | 112.2 | S190 E191 N197 Q198 I213 I220 D222 L225 V226 I229 R536 | S190-L194 WeakPolarHBondContact O-CG 3.37Å; S190-L194 PolarHBondContact O-N 2.85Å; S190-L194 VanDerWaalsContact O-N 3.07Å; E191-L194 PolarHBondContact O-N 2.75Å; L194-N197 PolarHBondContact O-N 3.4Å; L194-Q198 PolarHBondContact O-N 3.42Å; L194-I213 HydrophobicContact CD2-CD1 3.9Å; L194-I220 HydrophobicContact CD1-CG2 3.81Å; L194-I220 HydrophobicContact CD2-CD1 4.09Å; L194-I220 HydrophobicContact CD2-CG2 4.07Å; L194-I220 HydrophobicContact CG-CD1 4.45Å; L194-I220 HydrophobicContact CG-CG2 4.02Å; L194-D222 HydrophobicContact CD1-CB 4.09Å; L194-L225 HydrophobicContact CD1-CD2 4.41Å; L194-L225 HydrophobicContact CD2-CD2 4.42Å; L194-V226 HydrophobicContact CD2-CG2 4.45Å; L194-I229 HydrophobicContact CD2-CD1 4.08Å; L194-R536 VanDerWaalsContact CD1-NH2 3.32Å |
| 195 | Y | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.9 | -45.1 | 175.2 | 179.9 | -113.4 | 0 | 0 | 0 | 111.8 | I156 H159 L171 E191 L192 I193 N197 Q198 V199 L535 R536 V539 | I156-Y195 HydrophobicContact CG1-CE1 4.45Å; I156-Y195 VanDerWaalsContact CG1-OH 3.31Å; I156-Y195 WeakPolarHBondContact CG1-OH 3.35Å; H159-Y195 AromaticContact CE1-CE2 3.83Å; H159-Y195 AromaticContact ND1-CE2 3.5Å; H159-Y195 AromaticContact ND1-CZ 3.37Å; H159-Y195 PolarHBondContact ND1-OH 3.18Å; L171-Y195 HydrophobicContact CD1-CD1 3.83Å; L171-Y195 HydrophobicContact CD1-CE1 3.8Å; L171-Y195 HydrophobicContact CD2-CD1 3.87Å; L171-Y195 HydrophobicContact CD2-CE1 3.92Å; L171-Y195 HydrophobicContact CG-CE1 4.47Å; E191-Y195 VanDerWaalsContact O-CB 3.31Å; E191-Y195 WeakPolarHBondContact O-CB 3.46Å; E191-Y195 PolarHBondContact O-N 2.72Å; L192-Y195 PolarHBondContact O-N 3.47Å; I193-Y195 VanDerWaalsContact C-N 3.28Å; I193-Y195 PolarHBondContact O-N 2.66Å; Y195-N197 VanDerWaalsContact C-N 3.28Å; Y195-N197 PolarHBondContact O-N 2.92Å; Y195-Q198 WeakPolarHBondContact O-CB 3.41Å; Y195-Q198 PolarHBondContact O-N 3.24Å; Y195-Q198 VanDerWaalsContact O-N 3.16Å; Y195-V199 HydrophobicContact CE1-CG2 4.37Å; Y195-V199 HydrophobicContact CE2-CG2 4.49Å; Y195-V199 WeakPolarHBondContact O-CG2 3.37Å; Y195-V199 PolarHBondContact O-N 2.98Å; Y195-L535 HydrophobicContact CD1-CB 3.98Å; Y195-L535 HydrophobicContact CD1-CD1 3.61Å; Y195-L535 HydrophobicContact CD1-CG 4.46Å; Y195-L535 HydrophobicContact CD2-CB 3.73Å; Y195-L535 HydrophobicContact CE1-CB 4.36Å; Y195-L535 HydrophobicContact CE1-CD1 4.07Å; Y195-L535 HydrophobicContact CE2-CB 4.12Å; Y195-L535 HydrophobicContact CG-CB 3.64Å; Y195-L535 HydrophobicContact CG-CD1 4.04Å; Y195-L535 HydrophobicContact CG-CG 4.47Å; Y195-R536 HydrophobicContact CD2-CG 3.87Å; Y195-R536 HydrophobicContact CG-CG 4.37Å; Y195-V539 HydrophobicContact CE2-CG2 3.79Å |
| 196 | Q | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | 173.3 | -173.4 | -177.4 | 12.9 | 0 | 0 | 110.9 | L168 L171 E172 L192 I193 Q198 V199 M200 H212 | L168-Q196 HydrophobicContact CD2-CG 4.06Å; L171-Q196 HydrophobicContact CB-CB 4.49Å; L171-Q196 HydrophobicContact CB-CG 4.19Å; L171-Q196 HydrophobicContact CD1-CB 4.28Å; L171-Q196 HydrophobicContact CD1-CG 4.44Å; E172-Q196 PolarHBondContact OE2-NE2 3.5Å; L192-Q196 PolarHBondContact O-N 3.4Å; I193-Q196 PolarHBondContact O-N 3.45Å; Q196-Q198 PolarHBondContact O-N 3.4Å; Q196-V199 PolarHBondContact O-N 3.13Å; Q196-M200 HydrophobicContact CG-CE 4.07Å; Q196-M200 WeakPolarHBondContact O-CG 3.38Å; Q196-M200 PolarHBondContact O-N 3.29Å; Q196-H212 PolarHBondContact OE1-NE2 3Å |
| 197 | N | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -39.4 | 176.1 | -162.2 | -91.7 | 0 | 0 | 0 | 112.4 | I193 L194 Y195 V199 M200 R201 S209 H212 I229 | I193-N197 WeakPolarHBondContact O-CB 3.46Å; I193-N197 PolarHBondContact O-N 3.43Å; L194-N197 PolarHBondContact O-N 3.4Å; Y195-N197 VanDerWaalsContact C-N 3.28Å; Y195-N197 PolarHBondContact O-N 2.92Å; N197-V199 VanDerWaalsContact C-N 3.35Å; N197-V199 PolarHBondContact O-N 2.99Å; N197-M200 WeakPolarHBondContact O-CB 3.43Å; N197-M200 PolarHBondContact O-N 3.13Å; N197-R201 WeakPolarHBondContact O-CG 3.29Å; N197-R201 PolarHBondContact O-N 3.46Å; N197-S209 PolarHBondContact ND2-O 3.4Å; N197-S209 PolarHBondContact ND2-OG 3.15Å; N197-S209 PolarHBondContact OD1-OG 3.47Å; N197-S209 VanDerWaalsContact OD1-OG 3.11Å; N197-H212 PolarHBondContact ND2-ND1 3.45Å; N197-I229 WeakPolarHBondContact OD1-CG2 3.47Å |
| 198 | Q | 97.9 | Very high | 96.6 | Very high | 16 Ų | 16 | 30.1 Ų | 30.1 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 172.3 | 176.6 | -178.9 | -26 | 0 | 0 | 111.7 | L194 Y195 Q196 M200 R201 E202 R536 | L194-Q198 PolarHBondContact O-N 3.42Å; Y195-Q198 WeakPolarHBondContact O-CB 3.41Å; Y195-Q198 PolarHBondContact O-N 3.24Å; Y195-Q198 VanDerWaalsContact O-N 3.16Å; Q196-Q198 PolarHBondContact O-N 3.4Å; Q198-M200 VanDerWaalsContact C-N 3.32Å; Q198-M200 PolarHBondContact O-N 3.44Å; Q198-R201 PolarHBondContact O-N 2.93Å; Q198-E202 HydrophobicContact CG-CG 4.48Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.41Å; Q198-E202 PolarHBondContact NE2-OE1 3.12Å; Q198-E202 WeakPolarHBondContact O-CG 3.39Å; Q198-E202 PolarHBondContact O-N 2.81Å; Q198-R536 VanDerWaalsContact OE1-CG 3.27Å |
| 199 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.3 | -179 | 0 | 0 | 0 | 0 | 110.8 | Y164 A167 L168 L171 Y195 Q196 N197 E202 A203 | Y164-V199 HydrophobicContact CD1-CG1 3.95Å; A167-V199 HydrophobicContact CB-CG1 4.08Å; L168-V199 HydrophobicContact CD1-CG1 4.42Å; L168-V199 HydrophobicContact CD2-CB 3.76Å; L168-V199 HydrophobicContact CD2-CG1 3.62Å; L168-V199 HydrophobicContact CG-CB 4.38Å; L168-V199 HydrophobicContact CG-CG1 3.67Å; L171-V199 HydrophobicContact CD1-CG2 3.99Å; Y195-V199 HydrophobicContact CE1-CG2 4.37Å; Y195-V199 HydrophobicContact CE2-CG2 4.49Å; Y195-V199 WeakPolarHBondContact O-CG2 3.37Å; Y195-V199 PolarHBondContact O-N 2.98Å; Q196-V199 PolarHBondContact O-N 3.13Å; N197-V199 VanDerWaalsContact C-N 3.35Å; N197-V199 PolarHBondContact O-N 2.99Å; V199-E202 PolarHBondContact O-N 3.02Å; V199-A203 WeakPolarHBondContact O-CB 3.5Å; V199-A203 PolarHBondContact O-N 3.46Å |
| 200 | M | 97.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 27 Ų | 27 | 9% | 0.089 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.8 | -66.8 | 170.8 | 169.3 | 0 | 0 | 112.2 | L168 Q196 N197 Q198 A203 D204 L205 H212 | L168-M200 HydrophobicContact CD1-CG 4.04Å; L168-M200 HydrophobicContact CD2-CE 4.29Å; L168-M200 HydrophobicContact CD2-CG 3.54Å; L168-M200 HydrophobicContact CG-CG 4.47Å; Q196-M200 HydrophobicContact CG-CE 4.07Å; Q196-M200 WeakPolarHBondContact O-CG 3.38Å; Q196-M200 PolarHBondContact O-N 3.29Å; N197-M200 WeakPolarHBondContact O-CB 3.43Å; N197-M200 PolarHBondContact O-N 3.13Å; Q198-M200 VanDerWaalsContact C-N 3.32Å; Q198-M200 PolarHBondContact O-N 3.44Å; M200-A203 PolarHBondContact O-N 3.18Å; M200-D204 PolarHBondContact O-N 3.44Å; M200-L205 HydrophobicContact CB-CB 4.46Å; M200-L205 PolarHBondContact O-N 3.36Å; M200-H212 HydrophobicContact CE-CB 4.37Å; M200-H212 HydrophobicContact SD-CB 3.88Å |
| 201 | R | 96.7 | Very high | 96.9 | Very high | 49 Ų | 49 | 31.6 Ų | 31.6 | 19% | 0.185 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -37.2 | 177.4 | -70.6 | -166.9 | -64.4 | 152.4 | 0.7 | 112.8 | N197 Q198 A203 D204 S209 E232 I233 | N197-R201 WeakPolarHBondContact O-CG 3.29Å; N197-R201 PolarHBondContact O-N 3.46Å; Q198-R201 PolarHBondContact O-N 2.93Å; R201-A203 VanDerWaalsContact C-N 3.29Å; R201-D204 PolarHBondContact O-N 3.36Å; R201-S209 VanDerWaalsContact CG-OG 3.25Å; R201-S209 WeakPolarHBondContact CG-OG 3.22Å; R201-E232 IonicContact NH1-OE2 3.67Å; R201-E232 PolarHBondContact NH1-OE2 3.44Å; R201-I233 HydrophobicContact CG-CD1 4.13Å; R201-I233 HydrophobicContact CG-CG1 4.36Å |
| 202 | E | 97 | Very high | 96.9 | Very high | 52 Ų | 52 | 31.6 Ų | 31.6 | 24% | 0.243 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.1 | -23.6 | 176.2 | -70.3 | -173.4 | -153.8 | 0 | 0 | 112.9 | H159 Y164 Q198 V199 D204 R543 | H159-E202 IonicContact CD2-OE2 2.97Å; H159-E202 IonicContact NE2-OE1 2.75Å; H159-E202 IonicContact NE2-OE2 3.75Å; H159-E202 PolarHBondContact NE2-OE2 3.35Å; H159-E202 VanDerWaalsContact NE2-OE2 3.08Å; Y164-E202 HydrophobicContact CD1-CB 4.42Å; Y164-E202 HydrophobicContact CE1-CB 3.71Å; Q198-E202 HydrophobicContact CG-CG 4.48Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.41Å; Q198-E202 PolarHBondContact NE2-OE1 3.12Å; Q198-E202 WeakPolarHBondContact O-CG 3.39Å; Q198-E202 PolarHBondContact O-N 2.81Å; V199-E202 PolarHBondContact O-N 3.02Å; E202-D204 VanDerWaalsContact C-N 3.25Å; E202-R543 IonicContact OE1-CZ 3.44Å; E202-R543 VanDerWaalsContact OE1-CZ 3.29Å; E202-R543 IonicContact OE1-NH1 2.65Å; E202-R543 PolarHBondContact OE1-NH1 3.33Å; E202-R543 IonicContact OE1-NH2 3.22Å; E202-R543 PolarHBondContact OE1-NH2 3.2Å; E202-R543 IonicContact OE2-CZ 3.2Å; E202-R543 IonicContact OE2-NH1 2.88Å; E202-R543 IonicContact OE2-NH2 2.74Å; E202-R543 PolarHBondContact OE2-NH2 2.87Å |
| 203 | A | 96.7 | Very high | 96.9 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 20% | 0.198 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 5.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y164 V199 M200 R201 L205 | Y164-A203 HydrophobicContact CD1-CB 4.38Å; Y164-A203 HydrophobicContact CD2-CB 4.11Å; Y164-A203 HydrophobicContact CG-CB 3.78Å; V199-A203 WeakPolarHBondContact O-CB 3.5Å; V199-A203 PolarHBondContact O-N 3.46Å; M200-A203 PolarHBondContact O-N 3.18Å; R201-A203 VanDerWaalsContact C-N 3.29Å; A203-L205 HydrophobicContact CB-CD1 4.13Å; A203-L205 HydrophobicContact CB-CG 4.02Å; A203-L205 PolarHBondContact O-N 2.85Å |
| 204 | D | 96.3 | Very high | 96.8 | Very high | 115 Ų | 115 | 35.8 Ų | 35.8 | 62% | 0.615 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 20.5 | -174.1 | -61.4 | -44.8 | 0 | 0 | 0 | 114.9 | M200 R201 E202 F206 | M200-D204 PolarHBondContact O-N 3.44Å; R201-D204 PolarHBondContact O-N 3.36Å; E202-D204 VanDerWaalsContact C-N 3.25Å; D204-F206 HydrophobicContact CB-CE2 3.88Å; D204-F206 HydrophobicContact CB-CZ 4.04Å; D204-F206 WeakPolarHBondContact O-CD2 3.17Å; D204-F206 PolarHBondContact O-N 3.06Å; D204-F206 WeakPolarHBondContact OD1-CZ 3.49Å |
| 205 | L | 96.6 | Very high | 96.7 | Very high | 48 Ų | 48 | 40.1 Ų | 40.1 | 25% | 0.251 | 20% | 0.201 | S | C | . | . | trans | -83.6 | 59.3 | 177 | -60.5 | 176.1 | 0 | 0 | 0 | 111.3 | L168 M200 A203 Q207 E208 S209 | L168-L205 HydrophobicContact CD1-CD1 3.75Å; M200-L205 HydrophobicContact CB-CB 4.46Å; M200-L205 PolarHBondContact O-N 3.36Å; A203-L205 HydrophobicContact CB-CD1 4.13Å; A203-L205 HydrophobicContact CB-CG 4.02Å; A203-L205 PolarHBondContact O-N 2.85Å; L205-Q207 PolarHBondContact O-N 3.19Å; L205-E208 HydrophobicContact CB-CB 4.34Å; L205-E208 PolarHBondContact O-N 3.04Å; L205-S209 VanDerWaalsContact O-CB 3.23Å; L205-S209 WeakPolarHBondContact O-CB 3.49Å; L205-S209 PolarHBondContact O-N 3.43Å | ||
| 206 | F | 96.6 | Very high | 96.4 | Very high | 36 Ų | 36 | 42.3 Ų | 42.3 | 16% | 0.158 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | -169.9 | -61.3 | -54.7 | 0 | 0 | 0 | 114.1 | D204 S209 L210 I233 K236 L237 | D204-F206 HydrophobicContact CB-CE2 3.88Å; D204-F206 HydrophobicContact CB-CZ 4.04Å; D204-F206 WeakPolarHBondContact O-CD2 3.17Å; D204-F206 PolarHBondContact O-N 3.06Å; D204-F206 WeakPolarHBondContact OD1-CZ 3.49Å; F206-S209 PolarHBondContact O-N 3.05Å; F206-L210 PolarHBondContact O-N 3.04Å; F206-I233 HydrophobicContact CB-CG2 4.19Å; F206-I233 VanDerWaalsContact O-CG2 3.26Å; F206-I233 WeakPolarHBondContact O-CG2 3.38Å; F206-K236 HydrophobicContact CD1-CD 3.8Å; F206-K236 HydrophobicContact CD2-CB 4.27Å; F206-K236 HydrophobicContact CD2-CD 4.32Å; F206-K236 HydrophobicContact CE1-CD 3.39Å; F206-K236 HydrophobicContact CE2-CD 3.95Å; F206-K236 HydrophobicContact CG-CB 4.27Å; F206-K236 HydrophobicContact CG-CD 4.27Å; F206-K236 HydrophobicContact CZ-CD 3.48Å; F206-K236 VanDerWaalsContact CZ-CD 3.48Å; F206-L237 HydrophobicContact CB-CD2 3.77Å; F206-L237 HydrophobicContact CB-CG 4.1Å |
| 207 | Q | 96.1 | Very high | 96.3 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 40% | 0.397 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67 | -49 | 179.4 | -177.8 | 60.5 | 32.7 | 0 | 0 | 111.1 | L205 S209 L210 E211 L237 | L205-Q207 PolarHBondContact O-N 3.19Å; Q207-S209 VanDerWaalsContact C-N 3.29Å; Q207-S209 PolarHBondContact O-N 2.63Å; Q207-L210 PolarHBondContact O-N 3.32Å; Q207-L210 VanDerWaalsContact O-N 3.15Å; Q207-E211 PolarHBondContact NE2-OE1 2.82Å; Q207-E211 PolarHBondContact O-N 2.88Å; Q207-L237 HydrophobicContact CB-CD2 4.3Å |
| 208 | E | 96 | Very high | 96 | Very high | 103 Ų | 103 | 53 Ų | 53 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 176.8 | -62.9 | 176 | -146.3 | 0 | 0 | 111.4 | L205 L210 E211 H212 | L205-E208 HydrophobicContact CB-CB 4.34Å; L205-E208 PolarHBondContact O-N 3.04Å; E208-L210 VanDerWaalsContact C-N 3.31Å; E208-L210 PolarHBondContact O-N 3.11Å; E208-E211 PolarHBondContact O-N 3.08Å; E208-H212 WeakPolarHBondContact O-CB 3.22Å; E208-H212 PolarHBondContact O-N 3.41Å |
| 209 | S | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -36 | 175.6 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | N197 R201 L205 F206 Q207 I213 I233 | N197-S209 PolarHBondContact ND2-O 3.4Å; N197-S209 PolarHBondContact ND2-OG 3.15Å; N197-S209 PolarHBondContact OD1-OG 3.47Å; N197-S209 VanDerWaalsContact OD1-OG 3.11Å; R201-S209 VanDerWaalsContact CG-OG 3.25Å; R201-S209 WeakPolarHBondContact CG-OG 3.22Å; L205-S209 VanDerWaalsContact O-CB 3.23Å; L205-S209 WeakPolarHBondContact O-CB 3.49Å; L205-S209 PolarHBondContact O-N 3.43Å; F206-S209 PolarHBondContact O-N 3.05Å; Q207-S209 VanDerWaalsContact C-N 3.29Å; Q207-S209 PolarHBondContact O-N 2.63Å; S209-I213 PolarHBondContact O-N 3.03Å; S209-I213 VanDerWaalsContact O-N 3.12Å; S209-I233 VanDerWaalsContact OG-CD1 3.25Å; S209-I233 WeakPolarHBondContact OG-CD1 3.41Å |
| 210 | L | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.9 | -47.5 | 176.2 | -173.9 | 59.1 | 0 | 0 | 0 | 111.1 | F206 Q207 E208 H212 I213 E214 K230 I233 L234 L237 | F206-L210 PolarHBondContact O-N 3.04Å; Q207-L210 PolarHBondContact O-N 3.32Å; Q207-L210 VanDerWaalsContact O-N 3.15Å; E208-L210 VanDerWaalsContact C-N 3.31Å; E208-L210 PolarHBondContact O-N 3.11Å; L210-H212 VanDerWaalsContact C-N 3.27Å; L210-H212 PolarHBondContact O-N 3.2Å; L210-I213 HydrophobicContact CD1-CG2 4.24Å; L210-I213 WeakPolarHBondContact O-CG2 3.36Å; L210-I213 PolarHBondContact O-N 2.95Å; L210-E214 HydrophobicContact CD1-CG 4.35Å; L210-E214 WeakPolarHBondContact O-CB 3.34Å; L210-E214 WeakPolarHBondContact O-CG 3.42Å; L210-E214 PolarHBondContact O-N 3.41Å; L210-K230 HydrophobicContact CD1-CG 4.29Å; L210-I233 HydrophobicContact CB-CG2 3.83Å; L210-I233 HydrophobicContact CD1-CG2 4.4Å; L210-I233 HydrophobicContact CD2-CG2 4.49Å; L210-I233 HydrophobicContact CG-CG2 4.48Å; L210-L234 HydrophobicContact CD1-CD2 4.44Å; L210-L234 HydrophobicContact CD1-CG 4.48Å; L210-L234 HydrophobicContact CD2-CD2 3.71Å; L210-L234 HydrophobicContact CD2-CG 4.48Å; L210-L237 HydrophobicContact CB-CD1 4.33Å; L210-L237 HydrophobicContact CD2-CD1 3.73Å |
| 211 | E | 96.9 | Very high | 95.5 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 177.8 | -69.4 | 172.3 | -165 | 0 | 0 | 111.3 | Q207 E208 T215 | Q207-E211 PolarHBondContact NE2-OE1 2.82Å; Q207-E211 PolarHBondContact O-N 2.88Å; E208-E211 PolarHBondContact O-N 3.08Å; E211-T215 VanDerWaalsContact O-CB 3.24Å; E211-T215 WeakPolarHBondContact O-CB 3.47Å; E211-T215 PolarHBondContact O-N 3.33Å; E211-T215 PolarHBondContact O-OG1 3.26Å |
| 212 | H | 95.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 6% | 0.06 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 176.2 | -178.7 | -92 | 0 | 0 | 0 | 112 | I193 Q196 N197 M200 E208 L210 T215 Y216 | I193-H212 PolarHBondContact O-CE1 3.34Å; Q196-H212 PolarHBondContact OE1-NE2 3Å; N197-H212 PolarHBondContact ND2-ND1 3.45Å; M200-H212 HydrophobicContact CE-CB 4.37Å; M200-H212 HydrophobicContact SD-CB 3.88Å; E208-H212 WeakPolarHBondContact O-CB 3.22Å; E208-H212 PolarHBondContact O-N 3.41Å; L210-H212 VanDerWaalsContact C-N 3.27Å; L210-H212 PolarHBondContact O-N 3.2Å; H212-T215 PolarHBondContact O-N 3.35Å; H212-Y216 AromaticContact CD2-CD2 3.7Å; H212-Y216 AromaticContact CD2-CE2 3.64Å; H212-Y216 AromaticContact CE1-CD2 4Å; H212-Y216 AromaticContact NE2-CD2 3.67Å; H212-Y216 AromaticContact NE2-CE2 3.79Å; H212-Y216 VanDerWaalsContact O-CD2 3.24Å; H212-Y216 WeakPolarHBondContact O-CD2 3.46Å; H212-Y216 PolarHBondContact O-N 2.9Å; H212-Y216 VanDerWaalsContact O-N 3.11Å |
| 213 | I | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.6 | -39.6 | -178.8 | -155.2 | 74.5 | 0 | 0 | 0 | 111.5 | L194 S209 L210 Y216 E217 I220 V226 I229 K230 | L194-I213 HydrophobicContact CD2-CD1 3.9Å; S209-I213 PolarHBondContact O-N 3.03Å; S209-I213 VanDerWaalsContact O-N 3.12Å; L210-I213 HydrophobicContact CD1-CG2 4.24Å; L210-I213 WeakPolarHBondContact O-CG2 3.36Å; L210-I213 PolarHBondContact O-N 2.95Å; I213-Y216 PolarHBondContact O-N 2.92Å; I213-E217 WeakPolarHBondContact O-CA 3.47Å; I213-E217 VanDerWaalsContact O-CB 3.31Å; I213-E217 WeakPolarHBondContact O-CB 3.5Å; I213-E217 PolarHBondContact O-N 3.42Å; I213-I220 HydrophobicContact CD1-CD1 3.49Å; I213-I220 VanDerWaalsContact CD1-CD1 3.49Å; I213-I220 HydrophobicContact CG1-CD1 4.32Å; I213-V226 HydrophobicContact CD1-CG2 4.21Å; I213-V226 HydrophobicContact CG1-CG1 4Å; I213-V226 HydrophobicContact CG1-CG2 4.3Å; I213-I229 HydrophobicContact CG1-CG2 4.47Å; I213-K230 HydrophobicContact CG2-CG 3.89Å |
| 214 | E | 94.7 | Very high | 95.3 | Very high | 89 Ų | 89 | 58 Ų | 58 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 176.7 | -71.7 | 176.1 | 172.8 | 0 | 0 | 111.8 | L210 | L210-E214 HydrophobicContact CD1-CG 4.35Å; L210-E214 WeakPolarHBondContact O-CB 3.34Å; L210-E214 WeakPolarHBondContact O-CG 3.42Å; L210-E214 PolarHBondContact O-N 3.41Å |
| 215 | T | 94.3 | Very high | 95.3 | Very high | 93 Ų | 93 | 54 Ų | 54 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | 178.3 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | E211 H212 | E211-T215 VanDerWaalsContact O-CB 3.24Å; E211-T215 WeakPolarHBondContact O-CB 3.47Å; E211-T215 PolarHBondContact O-N 3.33Å; E211-T215 PolarHBondContact O-OG1 3.26Å; H212-T215 PolarHBondContact O-N 3.35Å |
| 216 | Y | 93.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 51.7 Ų | 51.7 | 18% | 0.18 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -101.2 | 1.3 | -172.3 | -64.3 | -60.5 | 0 | 0 | 0 | 114.6 | R175 I193 H212 I213 K218 Q219 I220 | R175-Y216 VanDerWaalsContact CZ-OH 3.22Å; R175-Y216 VanDerWaalsContact NH1-CE1 3.34Å; R175-Y216 PolarHBondContact NH1-OH 3.31Å; R175-Y216 PolarHBondContact NH2-OH 2.81Å; I193-Y216 HydrophobicContact CD1-CG 4.29Å; I193-Y216 HydrophobicContact CG2-CD2 4.3Å; I193-Y216 HydrophobicContact CG2-CG 4.2Å; H212-Y216 AromaticContact CD2-CD2 3.7Å; H212-Y216 AromaticContact CD2-CE2 3.64Å; H212-Y216 AromaticContact CE1-CD2 4Å; H212-Y216 AromaticContact NE2-CD2 3.67Å; H212-Y216 AromaticContact NE2-CE2 3.79Å; H212-Y216 VanDerWaalsContact O-CD2 3.24Å; H212-Y216 WeakPolarHBondContact O-CD2 3.46Å; H212-Y216 PolarHBondContact O-N 2.9Å; H212-Y216 VanDerWaalsContact O-N 3.11Å; I213-Y216 PolarHBondContact O-N 2.92Å; Y216-K218 PolarHBondContact O-N 3.49Å; Y216-Q219 WeakPolarHBondContact O-CB 3.39Å; Y216-Q219 PolarHBondContact O-N 3.32Å; Y216-I220 PolarHBondContact O-N 2.88Å |
| 217 | E | 93.6 | Very high | 95.3 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -48.1 | -42.3 | -176.1 | 176.2 | 168.4 | -164.4 | 0 | 0 | 113.6 | I213 Q219 I220 K223 V226 K230 | I213-E217 WeakPolarHBondContact O-CA 3.47Å; I213-E217 VanDerWaalsContact O-CB 3.31Å; I213-E217 WeakPolarHBondContact O-CB 3.5Å; I213-E217 PolarHBondContact O-N 3.42Å; E217-Q219 PolarHBondContact O-N 2.99Å; E217-I220 PolarHBondContact O-N 3.38Å; E217-I220 VanDerWaalsContact O-N 3.16Å; E217-K223 PolarHBondContact O-NZ 3.43Å; E217-V226 HydrophobicContact CG-CG1 4.24Å; E217-K230 IonicContact OE1-NZ 3.51Å; E217-K230 PolarHBondContact OE1-NZ 3.49Å; E217-K230 IonicContact OE2-NZ 3.99Å; E217-K230 PolarHBondContact OE2-NZ 3.15Å |
| 218 | K | 92.1 | Very high | 95.3 | Very high | 171 Ų | 171 | 51 Ų | 51 | 74% | 0.743 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -64.6 | -22.4 | -178.3 | -66 | -177.6 | -178.1 | 175.3 | 0 | 113.5 | I185 Y216 | I185-K218 WeakPolarHBondContact CG1-O 3.21Å; Y216-K218 PolarHBondContact O-N 3.49Å |
| 219 | Q | 92.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -95.6 | -9.1 | -178.9 | -65.7 | 161.2 | 31.1 | 0 | 0 | 112.4 | P182 Y189 I193 Y216 E217 | P182-Q219 VanDerWaalsContact O-CG 3.27Å; P182-Q219 WeakPolarHBondContact O-CG 3.34Å; Y189-Q219 VanDerWaalsContact CE1-OE1 3.28Å; I193-Q219 HydrophobicContact CD1-CB 4.18Å; Y216-Q219 WeakPolarHBondContact O-CB 3.39Å; Y216-Q219 PolarHBondContact O-N 3.32Å; E217-Q219 PolarHBondContact O-N 2.99Å |
| 220 | I | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -90.9 | 127.9 | -179.8 | -60.9 | 169.3 | 0 | 0 | 0 | 110.2 | S190 I193 L194 I213 Y216 E217 K223 V226 | S190-I220 WeakPolarHBondContact OG-CA 3.42Å; I193-I220 HydrophobicContact CB-CG1 4.43Å; I193-I220 HydrophobicContact CD1-CG1 4.47Å; I193-I220 HydrophobicContact CG2-CD1 3.77Å; I193-I220 HydrophobicContact CG2-CG1 4.02Å; L194-I220 HydrophobicContact CD1-CG2 3.81Å; L194-I220 HydrophobicContact CD2-CD1 4.09Å; L194-I220 HydrophobicContact CD2-CG2 4.07Å; L194-I220 HydrophobicContact CG-CD1 4.45Å; L194-I220 HydrophobicContact CG-CG2 4.02Å; I213-I220 HydrophobicContact CD1-CD1 3.49Å; I213-I220 VanDerWaalsContact CD1-CD1 3.49Å; I213-I220 HydrophobicContact CG1-CD1 4.32Å; Y216-I220 PolarHBondContact O-N 2.88Å; E217-I220 PolarHBondContact O-N 3.38Å; E217-I220 VanDerWaalsContact O-N 3.16Å; I220-K223 WeakPolarHBondContact O-CE 3.4Å; I220-K223 PolarHBondContact O-NZ 3.28Å; I220-V226 HydrophobicContact CB-CG2 4.08Å; I220-V226 HydrophobicContact CD1-CG2 3.93Å; I220-V226 HydrophobicContact CG2-CG2 3.55Å | ||
| 221 | C | 95.1 | Very high | 95.3 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 36% | 0.358 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -82.4 | -32.5 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | I185 S190 K223 | I185-C221 HydrophobicContact CG2-CB 3.59Å; S190-C221 PolarHBondContact OG-N 2.8Å; S190-C221 PolarHBondContact OG-SG 3.4Å; C221-K223 PolarHBondContact O-N 2.88Å |
| 222 | D | 95.5 | Very high | 95.3 | Very high | 57 Ų | 57 | 46 Ų | 46 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | trans | -80.6 | 82.3 | -179.1 | -171.8 | -6.4 | 0 | 0 | 0 | 111.3 | L194 L224 L225 V226 | L194-D222 HydrophobicContact CD1-CB 4.09Å; D222-L224 PolarHBondContact OD1-N 3.29Å; D222-L225 HydrophobicContact CB-CB 4.48Å; D222-L225 PolarHBondContact OD1-N 2.95Å; D222-L225 VanDerWaalsContact OD1-N 3.16Å; D222-L225 WeakPolarHBondContact OD2-CB 3.01Å; D222-V226 WeakPolarHBondContact O-CG2 3.45Å; D222-V226 PolarHBondContact O-N 3.35Å | ||
| 223 | K | 95 | Very high | 95.3 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 35% | 0.352 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.9 | -30.5 | -178 | -58.1 | -52.2 | -170.9 | -173.9 | 0 | 113.5 | E217 I220 C221 V226 E227 | E217-K223 PolarHBondContact O-NZ 3.43Å; I220-K223 WeakPolarHBondContact O-CE 3.4Å; I220-K223 PolarHBondContact O-NZ 3.28Å; C221-K223 PolarHBondContact O-N 2.88Å; K223-V226 PolarHBondContact O-N 3.15Å; K223-E227 WeakPolarHBondContact O-CG 3.43Å; K223-E227 PolarHBondContact O-N 3.24Å |
| 224 | L | 96.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.6 | -51.2 | 178.5 | 169.2 | 60 | 0 | 0 | 0 | 109.3 | D222 V226 E227 E228 L250 | D222-L224 PolarHBondContact OD1-N 3.29Å; L224-V226 VanDerWaalsContact C-N 3.32Å; L224-V226 PolarHBondContact O-N 2.76Å; L224-E227 PolarHBondContact O-N 3.01Å; L224-E228 HydrophobicContact CD1-CG 4.2Å; L224-E228 PolarHBondContact O-N 3.38Å; L224-L250 HydrophobicContact CD1-CD2 3.95Å |
| 225 | L | 95.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.2 | -33.9 | -176.9 | -174.5 | 69.3 | 0 | 0 | 0 | 112.7 | L194 D222 E227 E228 I229 | L194-L225 HydrophobicContact CD1-CD2 4.41Å; L194-L225 HydrophobicContact CD2-CD2 4.42Å; D222-L225 HydrophobicContact CB-CB 4.48Å; D222-L225 PolarHBondContact OD1-N 2.95Å; D222-L225 VanDerWaalsContact OD1-N 3.16Å; D222-L225 WeakPolarHBondContact OD2-CB 3.01Å; L225-E227 VanDerWaalsContact C-N 3.27Å; L225-E227 PolarHBondContact O-N 2.89Å; L225-E228 HydrophobicContact CD1-CB 4.42Å; L225-E228 PolarHBondContact O-N 3.08Å; L225-I229 HydrophobicContact CD1-CD1 4.35Å; L225-I229 HydrophobicContact CD1-CG1 4.22Å; L225-I229 HydrophobicContact CD2-CD1 4.09Å; L225-I229 HydrophobicContact CG-CD1 3.76Å; L225-I229 HydrophobicContact CG-CG1 4.06Å; L225-I229 VanDerWaalsContact O-CB 3.3Å; L225-I229 WeakPolarHBondContact O-CB 3.32Å; L225-I229 VanDerWaalsContact O-CG1 3.23Å; L225-I229 WeakPolarHBondContact O-CG1 3.26Å; L225-I229 PolarHBondContact O-N 2.89Å |
| 226 | V | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.2 | -46.6 | 173 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | L194 I213 E217 I220 D222 K223 L224 I229 K230 | L194-V226 HydrophobicContact CD2-CG2 4.45Å; I213-V226 HydrophobicContact CD1-CG2 4.21Å; I213-V226 HydrophobicContact CG1-CG1 4Å; I213-V226 HydrophobicContact CG1-CG2 4.3Å; E217-V226 HydrophobicContact CG-CG1 4.24Å; I220-V226 HydrophobicContact CB-CG2 4.08Å; I220-V226 HydrophobicContact CD1-CG2 3.93Å; I220-V226 HydrophobicContact CG2-CG2 3.55Å; D222-V226 WeakPolarHBondContact O-CG2 3.45Å; D222-V226 PolarHBondContact O-N 3.35Å; K223-V226 PolarHBondContact O-N 3.15Å; L224-V226 VanDerWaalsContact C-N 3.32Å; L224-V226 PolarHBondContact O-N 2.76Å; V226-I229 PolarHBondContact O-N 2.93Å; V226-K230 HydrophobicContact CG1-CD 4.14Å; V226-K230 WeakPolarHBondContact O-CB 3.2Å; V226-K230 VanDerWaalsContact O-CG 3.31Å; V226-K230 WeakPolarHBondContact O-CG 3.36Å; V226-K230 PolarHBondContact O-N 3.01Å |
| 227 | E | 96.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 44.4 Ų | 44.4 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.2 | -40.7 | 178.1 | -65.6 | -60.9 | 125.5 | 0 | 0 | 112 | K223 L224 L225 I229 K230 G231 V246 L250 | K223-E227 WeakPolarHBondContact O-CG 3.43Å; K223-E227 PolarHBondContact O-N 3.24Å; L224-E227 PolarHBondContact O-N 3.01Å; L225-E227 VanDerWaalsContact C-N 3.27Å; L225-E227 PolarHBondContact O-N 2.89Å; E227-I229 PolarHBondContact O-N 3.32Å; E227-K230 PolarHBondContact O-N 3.48Å; E227-K230 IonicContact OE1-NZ 3.96Å; E227-G231 PolarHBondContact O-N 3.49Å; E227-V246 HydrophobicContact CB-CG1 4.39Å; E227-V246 WeakPolarHBondContact O-CG1 3.41Å; E227-L250 HydrophobicContact CB-CD2 3.67Å; E227-L250 HydrophobicContact CB-CG 4.16Å |
| 228 | E | 97 | Very high | 95.6 | Very high | 62 Ų | 62 | 44 Ų | 44 | 29% | 0.29 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 174.7 | -70 | -179.5 | 150.6 | 0 | 0 | 112 | L224 L225 G231 E232 L250 Y260 | L224-E228 HydrophobicContact CD1-CG 4.2Å; L224-E228 PolarHBondContact O-N 3.38Å; L225-E228 HydrophobicContact CD1-CB 4.42Å; L225-E228 PolarHBondContact O-N 3.08Å; E228-G231 PolarHBondContact O-N 3.12Å; E228-E232 PolarHBondContact O-N 3.09Å; E228-L250 HydrophobicContact CG-CD1 4.39Å; E228-L250 HydrophobicContact CG-CD2 4.08Å; E228-Y260 HydrophobicContact CG-CE1 4.29Å; E228-Y260 PolarHBondContact OE1-OH 3.46Å; E228-Y260 VanDerWaalsContact OE1-OH 3.04Å |
| 229 | I | 96.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 175.8 | -74.3 | 173.8 | 0 | 0 | 0 | 110.3 | L194 N197 I213 L225 V226 E227 G231 E232 I233 | L194-I229 HydrophobicContact CD2-CD1 4.08Å; N197-I229 WeakPolarHBondContact OD1-CG2 3.47Å; I213-I229 HydrophobicContact CG1-CG2 4.47Å; L225-I229 HydrophobicContact CD1-CD1 4.35Å; L225-I229 HydrophobicContact CD1-CG1 4.22Å; L225-I229 HydrophobicContact CD2-CD1 4.09Å; L225-I229 HydrophobicContact CG-CD1 3.76Å; L225-I229 HydrophobicContact CG-CG1 4.06Å; L225-I229 VanDerWaalsContact O-CB 3.3Å; L225-I229 WeakPolarHBondContact O-CB 3.32Å; L225-I229 VanDerWaalsContact O-CG1 3.23Å; L225-I229 WeakPolarHBondContact O-CG1 3.26Å; L225-I229 PolarHBondContact O-N 2.89Å; V226-I229 PolarHBondContact O-N 2.93Å; E227-I229 PolarHBondContact O-N 3.32Å; I229-G231 PolarHBondContact O-N 2.93Å; I229-E232 PolarHBondContact O-N 3.22Å; I229-I233 HydrophobicContact CG2-CD1 3.47Å; I229-I233 VanDerWaalsContact CG2-CD1 3.47Å; I229-I233 HydrophobicContact CG2-CG1 4.33Å; I229-I233 WeakPolarHBondContact O-CB 3.49Å; I229-I233 VanDerWaalsContact O-CG1 3.26Å; I229-I233 WeakPolarHBondContact O-CG1 3.42Å; I229-I233 PolarHBondContact O-N 3.31Å |
| 230 | K | 96.7 | Very high | 95.9 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 10% | 0.1 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 177.3 | -77.2 | 175.6 | 177.2 | 177.6 | 0 | 111 | L210 I213 E217 V226 E227 E232 I233 L234 V246 | L210-K230 HydrophobicContact CD1-CG 4.29Å; I213-K230 HydrophobicContact CG2-CG 3.89Å; E217-K230 IonicContact OE1-NZ 3.51Å; E217-K230 PolarHBondContact OE1-NZ 3.49Å; E217-K230 IonicContact OE2-NZ 3.99Å; E217-K230 PolarHBondContact OE2-NZ 3.15Å; V226-K230 HydrophobicContact CG1-CD 4.14Å; V226-K230 WeakPolarHBondContact O-CB 3.2Å; V226-K230 VanDerWaalsContact O-CG 3.31Å; V226-K230 WeakPolarHBondContact O-CG 3.36Å; V226-K230 PolarHBondContact O-N 3.01Å; E227-K230 PolarHBondContact O-N 3.48Å; E227-K230 IonicContact OE1-NZ 3.96Å; K230-E232 PolarHBondContact O-N 3.15Å; K230-I233 PolarHBondContact O-N 3.41Å; K230-L234 HydrophobicContact CB-CD1 4.46Å; K230-L234 VanDerWaalsContact O-CB 3.27Å; K230-L234 WeakPolarHBondContact O-CB 3.21Å; K230-L234 WeakPolarHBondContact O-CD1 3.34Å; K230-L234 WeakPolarHBondContact O-CG 3.46Å; K230-L234 PolarHBondContact O-N 3.43Å; K230-V246 HydrophobicContact CB-CG1 4.49Å |
| 231 | G | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | E227 E228 I229 L235 | E227-G231 PolarHBondContact O-N 3.49Å; E228-G231 PolarHBondContact O-N 3.12Å; I229-G231 PolarHBondContact O-N 2.93Å; G231-L235 WeakPolarHBondContact O-CG 3.49Å; G231-L235 PolarHBondContact O-N 2.92Å |
| 232 | E | 95.9 | Very high | 95.9 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 177 | -167.2 | -160.2 | 155.3 | 0 | 0 | 112.2 | R201 E228 I229 K230 L235 K236 | R201-E232 IonicContact NH1-OE2 3.67Å; R201-E232 PolarHBondContact NH1-OE2 3.44Å; E228-E232 PolarHBondContact O-N 3.09Å; I229-E232 PolarHBondContact O-N 3.22Å; K230-E232 PolarHBondContact O-N 3.15Å; E232-L235 PolarHBondContact O-N 2.9Å; E232-K236 PolarHBondContact O-N 3.15Å; E232-K236 VanDerWaalsContact O-N 3.13Å; E232-K236 WeakPolarHBondContact OE1-CE 3.42Å; E232-K236 IonicContact OE1-NZ 2.77Å; E232-K236 PolarHBondContact OE1-NZ 3.31Å |
| 233 | I | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -44.4 | -178 | -68.4 | 168.8 | 0 | 0 | 0 | 111.1 | R201 F206 S209 L210 I229 K230 L235 K236 L237 | R201-I233 HydrophobicContact CG-CD1 4.13Å; R201-I233 HydrophobicContact CG-CG1 4.36Å; F206-I233 HydrophobicContact CB-CG2 4.19Å; F206-I233 VanDerWaalsContact O-CG2 3.26Å; F206-I233 WeakPolarHBondContact O-CG2 3.38Å; S209-I233 VanDerWaalsContact OG-CD1 3.25Å; S209-I233 WeakPolarHBondContact OG-CD1 3.41Å; L210-I233 HydrophobicContact CB-CG2 3.83Å; L210-I233 HydrophobicContact CD1-CG2 4.4Å; L210-I233 HydrophobicContact CD2-CG2 4.49Å; L210-I233 HydrophobicContact CG-CG2 4.48Å; I229-I233 HydrophobicContact CG2-CD1 3.47Å; I229-I233 VanDerWaalsContact CG2-CD1 3.47Å; I229-I233 HydrophobicContact CG2-CG1 4.33Å; I229-I233 WeakPolarHBondContact O-CB 3.49Å; I229-I233 VanDerWaalsContact O-CG1 3.26Å; I229-I233 WeakPolarHBondContact O-CG1 3.42Å; I229-I233 PolarHBondContact O-N 3.31Å; K230-I233 PolarHBondContact O-N 3.41Å; I233-L235 VanDerWaalsContact C-N 3.27Å; I233-L235 PolarHBondContact O-N 3.16Å; I233-K236 PolarHBondContact O-N 3.33Å; I233-L237 HydrophobicContact CG2-CD1 3.64Å; I233-L237 HydrophobicContact CG2-CG 4.09Å; I233-L237 WeakPolarHBondContact O-CG 3.39Å; I233-L237 PolarHBondContact O-N 3.34Å |
| 234 | L | 97 | Very high | 96 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -37.4 | 178.9 | -71.3 | 166.8 | 0 | 0 | 0 | 111.5 | L210 K230 L237 G238 R239 E242 A243 V246 | L210-L234 HydrophobicContact CD1-CD2 4.44Å; L210-L234 HydrophobicContact CD1-CG 4.48Å; L210-L234 HydrophobicContact CD2-CD2 3.71Å; L210-L234 HydrophobicContact CD2-CG 4.48Å; K230-L234 HydrophobicContact CB-CD1 4.46Å; K230-L234 VanDerWaalsContact O-CB 3.27Å; K230-L234 WeakPolarHBondContact O-CB 3.21Å; K230-L234 WeakPolarHBondContact O-CD1 3.34Å; K230-L234 WeakPolarHBondContact O-CG 3.46Å; K230-L234 PolarHBondContact O-N 3.43Å; L234-L237 PolarHBondContact O-N 3.41Å; L234-G238 PolarHBondContact O-N 2.66Å; L234-G238 VanDerWaalsContact O-N 3.16Å; L234-R239 HydrophobicContact CB-CB 4.36Å; L234-R239 HydrophobicContact CD2-CB 3.71Å; L234-R239 HydrophobicContact CD2-CG 4.4Å; L234-R239 PolarHBondContact O-N 3.15Å; L234-E242 HydrophobicContact CD1-CB 3.95Å; L234-E242 HydrophobicContact CD2-CB 4.12Å; L234-A243 HydrophobicContact CB-CB 3.77Å; L234-V246 HydrophobicContact CD1-CG2 3.94Å |
| 235 | L | 95.7 | Very high | 96 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 171.3 | -77.2 | 177.8 | 0 | 0 | 0 | 112 | G231 E232 I233 L237 G238 L240 A243 F247 K266 A267 | G231-L235 WeakPolarHBondContact O-CG 3.49Å; G231-L235 PolarHBondContact O-N 2.92Å; E232-L235 PolarHBondContact O-N 2.9Å; I233-L235 VanDerWaalsContact C-N 3.27Å; I233-L235 PolarHBondContact O-N 3.16Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 3.41Å; L235-G238 PolarHBondContact O-N 2.95Å; L235-G238 VanDerWaalsContact O-N 3.11Å; L235-L240 HydrophobicContact CD2-CD2 4.18Å; L235-A243 HydrophobicContact CD2-CB 3.96Å; L235-A243 HydrophobicContact CG-CB 4.06Å; L235-F247 HydrophobicContact CD1-CE2 3.43Å; L235-F247 VanDerWaalsContact CD1-CE2 3.43Å; L235-F247 HydrophobicContact CD1-CZ 3.74Å; L235-F247 HydrophobicContact CD2-CE2 4.45Å; L235-F247 HydrophobicContact CG-CE2 3.81Å; L235-F247 HydrophobicContact CG-CZ 4.48Å; L235-K266 HydrophobicContact CD1-CB 4.33Å; L235-K266 HydrophobicContact CD2-CB 4.07Å; L235-A267 HydrophobicContact CD2-CB 3.84Å |
| 236 | K | 94.9 | Very high | 96.1 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 45% | 0.452 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65 | -33.4 | 179.6 | -73.6 | -178.9 | 170.5 | 170.6 | 0 | 112.9 | F206 E232 I233 G238 | F206-K236 HydrophobicContact CD1-CD 3.8Å; F206-K236 HydrophobicContact CD2-CB 4.27Å; F206-K236 HydrophobicContact CD2-CD 4.32Å; F206-K236 HydrophobicContact CE1-CD 3.39Å; F206-K236 HydrophobicContact CE2-CD 3.95Å; F206-K236 HydrophobicContact CG-CB 4.27Å; F206-K236 HydrophobicContact CG-CD 4.27Å; F206-K236 HydrophobicContact CZ-CD 3.48Å; F206-K236 VanDerWaalsContact CZ-CD 3.48Å; E232-K236 PolarHBondContact O-N 3.15Å; E232-K236 VanDerWaalsContact O-N 3.13Å; E232-K236 WeakPolarHBondContact OE1-CE 3.42Å; E232-K236 IonicContact OE1-NZ 2.77Å; E232-K236 PolarHBondContact OE1-NZ 3.31Å; I233-K236 PolarHBondContact O-N 3.33Å; K236-G238 VanDerWaalsContact C-N 3.29Å |
| 237 | L | 95.1 | Very high | 96.1 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 30% | 0.298 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -6.5 | 174.9 | -66.6 | 174.4 | 0 | 0 | 0 | 113.5 | F206 Q207 L210 I233 L234 L235 R239 | F206-L237 HydrophobicContact CB-CD2 3.77Å; F206-L237 HydrophobicContact CB-CG 4.1Å; Q207-L237 HydrophobicContact CB-CD2 4.3Å; L210-L237 HydrophobicContact CB-CD1 4.33Å; L210-L237 HydrophobicContact CD2-CD1 3.73Å; I233-L237 HydrophobicContact CG2-CD1 3.64Å; I233-L237 HydrophobicContact CG2-CG 4.09Å; I233-L237 WeakPolarHBondContact O-CG 3.39Å; I233-L237 PolarHBondContact O-N 3.34Å; L234-L237 PolarHBondContact O-N 3.41Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 3.41Å; L237-R239 VanDerWaalsContact C-N 3.27Å; L237-R239 HydrophobicContact CB-CG 4.36Å; L237-R239 PolarHBondContact O-N 2.9Å |
| 238 | G | 94.4 | Very high | 96.1 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 16 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | L234 L235 K236 L240 | L234-G238 PolarHBondContact O-N 2.66Å; L234-G238 VanDerWaalsContact O-N 3.16Å; L235-G238 PolarHBondContact O-N 2.95Å; L235-G238 VanDerWaalsContact O-N 3.11Å; K236-G238 VanDerWaalsContact C-N 3.29Å; G238-L240 PolarHBondContact O-N 3.06Å |
| 239 | R | 95.6 | Very high | 96.1 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 30% | 0.302 | 25% | 0.253 | S | S | . | . | trans | -82 | 64.3 | 174.7 | -69.5 | 175.8 | 68.8 | 177.5 | 0.3 | 110.4 | L234 L237 K241 E242 A243 | L234-R239 HydrophobicContact CB-CB 4.36Å; L234-R239 HydrophobicContact CD2-CB 3.71Å; L234-R239 HydrophobicContact CD2-CG 4.4Å; L234-R239 PolarHBondContact O-N 3.15Å; L237-R239 VanDerWaalsContact C-N 3.27Å; L237-R239 HydrophobicContact CB-CG 4.36Å; L237-R239 PolarHBondContact O-N 2.9Å; R239-K241 PolarHBondContact O-N 2.77Å; R239-E242 IonicContact CZ-OE1 3.44Å; R239-E242 IonicContact CZ-OE2 2.7Å; R239-E242 IonicContact NE-OE1 2.73Å; R239-E242 PolarHBondContact NE-OE1 3.3Å; R239-E242 IonicContact NE-OE2 2.75Å; R239-E242 IonicContact NH2-OE1 3.1Å; R239-E242 PolarHBondContact NH2-OE1 3.27Å; R239-E242 IonicContact NH2-OE2 2.83Å; R239-E242 PolarHBondContact NH2-OE2 3.37Å; R239-E242 PolarHBondContact O-N 3.36Å; R239-A243 PolarHBondContact O-N 3.1Å | ||
| 240 | L | 95.9 | Very high | 96.1 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -38.9 | -166.5 | -66.7 | 177.4 | 0 | 0 | 0 | 114.7 | L235 G238 A243 S244 A267 Q269 | L235-L240 HydrophobicContact CD2-CD2 4.18Å; G238-L240 PolarHBondContact O-N 3.06Å; L240-A243 PolarHBondContact O-N 3.16Å; L240-S244 PolarHBondContact O-N 2.67Å; L240-A267 WeakPolarHBondContact CB-O 3.47Å; L240-Q269 HydrophobicContact CD1-CG 3.71Å; L240-Q269 VanDerWaalsContact CD1-NE2 3.29Å |
| 241 | K | 95.1 | Very high | 96.1 | Very high | 172 Ų | 172 | 50.5 Ų | 50.5 | 75% | 0.748 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62 | -49.4 | 180 | -69 | -175.7 | 177.8 | -179.1 | 0 | 111.3 | R239 S244 E245 | R239-K241 PolarHBondContact O-N 2.77Å; K241-S244 WeakPolarHBondContact O-CB 3.47Å; K241-S244 PolarHBondContact O-N 3.04Å; K241-S244 PolarHBondContact O-OG 3.36Å; K241-E245 PolarHBondContact O-N 3.1Å |
| 242 | E | 95.6 | Very high | 96.1 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 35% | 0.346 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 179.6 | -61.8 | 175.3 | -108 | 0 | 0 | 111.1 | L234 R239 S244 E245 V246 | L234-E242 HydrophobicContact CD1-CB 3.95Å; L234-E242 HydrophobicContact CD2-CB 4.12Å; R239-E242 IonicContact CZ-OE1 3.44Å; R239-E242 IonicContact CZ-OE2 2.7Å; R239-E242 IonicContact NE-OE1 2.73Å; R239-E242 PolarHBondContact NE-OE1 3.3Å; R239-E242 IonicContact NE-OE2 2.75Å; R239-E242 IonicContact NH2-OE1 3.1Å; R239-E242 PolarHBondContact NH2-OE1 3.27Å; R239-E242 IonicContact NH2-OE2 2.83Å; R239-E242 PolarHBondContact NH2-OE2 3.37Å; R239-E242 PolarHBondContact O-N 3.36Å; E242-S244 PolarHBondContact O-N 3.41Å; E242-E245 PolarHBondContact O-N 3.13Å; E242-V246 WeakPolarHBondContact O-CG2 3.1Å; E242-V246 PolarHBondContact O-N 3.06Å |
| 243 | A | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.1 | -42.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L234 L235 R239 L240 E245 V246 F247 A267 | L234-A243 HydrophobicContact CB-CB 3.77Å; L235-A243 HydrophobicContact CD2-CB 3.96Å; L235-A243 HydrophobicContact CG-CB 4.06Å; R239-A243 PolarHBondContact O-N 3.1Å; L240-A243 PolarHBondContact O-N 3.16Å; A243-E245 VanDerWaalsContact C-N 3.32Å; A243-E245 PolarHBondContact O-N 2.97Å; A243-V246 PolarHBondContact O-N 2.93Å; A243-F247 HydrophobicContact CB-CE2 4.49Å; A243-F247 WeakPolarHBondContact O-CD2 3.47Å; A243-F247 PolarHBondContact O-N 3.41Å; A243-A267 HydrophobicContact CB-CB 3.96Å |
| 244 | S | 96.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 62 Ų | 62 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -36 | -179.8 | 81.3 | 0 | 0 | 0 | 0 | 112.8 | L240 K241 E242 K248 | L240-S244 PolarHBondContact O-N 2.67Å; K241-S244 WeakPolarHBondContact O-CB 3.47Å; K241-S244 PolarHBondContact O-N 3.04Å; K241-S244 PolarHBondContact O-OG 3.36Å; E242-S244 PolarHBondContact O-N 3.41Å; S244-K248 VanDerWaalsContact O-CG 3.28Å; S244-K248 WeakPolarHBondContact O-CG 3.47Å; S244-K248 PolarHBondContact O-N 2.83Å |
| 245 | E | 96.7 | Very high | 96.1 | Very high | 125 Ų | 125 | 62.1 Ų | 62.1 | 58% | 0.584 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.8 | -43.9 | 176.3 | -68.7 | 177 | -172.8 | 0 | 0 | 111 | K241 E242 A243 F247 K248 N249 | K241-E245 PolarHBondContact O-N 3.1Å; E242-E245 PolarHBondContact O-N 3.13Å; A243-E245 VanDerWaalsContact C-N 3.32Å; A243-E245 PolarHBondContact O-N 2.97Å; E245-F247 PolarHBondContact O-N 3.37Å; E245-K248 PolarHBondContact O-N 3.17Å; E245-N249 VanDerWaalsContact O-CG 3.29Å; E245-N249 PolarHBondContact O-N 2.88Å; E245-N249 PolarHBondContact O-ND2 3.43Å |
| 246 | V | 97.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 64 Ų | 64 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | E227 K230 L234 E242 A243 K248 N249 L250 | E227-V246 HydrophobicContact CB-CG1 4.39Å; E227-V246 WeakPolarHBondContact O-CG1 3.41Å; K230-V246 HydrophobicContact CB-CG1 4.49Å; L234-V246 HydrophobicContact CD1-CG2 3.94Å; E242-V246 WeakPolarHBondContact O-CG2 3.1Å; E242-V246 PolarHBondContact O-N 3.06Å; A243-V246 PolarHBondContact O-N 2.93Å; V246-K248 VanDerWaalsContact C-N 3.35Å; V246-K248 PolarHBondContact O-N 3.19Å; V246-N249 WeakPolarHBondContact O-CB 3.2Å; V246-N249 PolarHBondContact O-N 3.4Å; V246-L250 HydrophobicContact CG1-CD1 4.09Å; V246-L250 HydrophobicContact CG1-CG 4.45Å; V246-L250 WeakPolarHBondContact O-CG 3.41Å; V246-L250 PolarHBondContact O-N 3.5Å |
| 247 | F | 97.6 | Very high | 96.2 | Very high | 15 Ų | 15 | 61 Ų | 61 | 7% | 0.066 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.5 | -33.9 | 177.8 | -76 | -63.8 | 0 | 0 | 0 | 113.2 | L235 A243 E245 L250 I251 G263 L264 A267 | L235-F247 HydrophobicContact CD1-CE2 3.43Å; L235-F247 VanDerWaalsContact CD1-CE2 3.43Å; L235-F247 HydrophobicContact CD1-CZ 3.74Å; L235-F247 HydrophobicContact CD2-CE2 4.45Å; L235-F247 HydrophobicContact CG-CE2 3.81Å; L235-F247 HydrophobicContact CG-CZ 4.48Å; A243-F247 HydrophobicContact CB-CE2 4.49Å; A243-F247 WeakPolarHBondContact O-CD2 3.47Å; A243-F247 PolarHBondContact O-N 3.41Å; E245-F247 PolarHBondContact O-N 3.37Å; F247-L250 HydrophobicContact CD1-CD1 3.87Å; F247-L250 HydrophobicContact CE1-CD1 4.11Å; F247-L250 PolarHBondContact O-N 3.09Å; F247-I251 VanDerWaalsContact O-CG1 3.23Å; F247-I251 WeakPolarHBondContact O-CG1 3.29Å; F247-I251 PolarHBondContact O-N 3.03Å; F247-G263 VanDerWaalsContact CD2-C 3.43Å; F247-L264 HydrophobicContact CB-CB 3.95Å; F247-L264 HydrophobicContact CB-CD1 4.3Å; F247-A267 HydrophobicContact CD2-CB 4.49Å |
| 248 | K | 96.2 | Very high | 96.1 | Very high | 104 Ų | 104 | 64.2 Ų | 64.2 | 45% | 0.452 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 171.1 | -75.5 | 172.3 | -177.6 | -179.5 | 0 | 111.2 | S244 E245 V246 L250 I251 D252 L264 | S244-K248 VanDerWaalsContact O-CG 3.28Å; S244-K248 WeakPolarHBondContact O-CG 3.47Å; S244-K248 PolarHBondContact O-N 2.83Å; E245-K248 PolarHBondContact O-N 3.17Å; V246-K248 VanDerWaalsContact C-N 3.35Å; V246-K248 PolarHBondContact O-N 3.19Å; K248-L250 VanDerWaalsContact C-N 3.32Å; K248-L250 PolarHBondContact O-N 3.24Å; K248-I251 PolarHBondContact O-N 3.05Å; K248-D252 PolarHBondContact O-N 2.96Å; K248-L264 HydrophobicContact CG-CD1 4.05Å; K248-L264 HydrophobicContact CG-CD2 4.36Å |
| 249 | N | 96.4 | Very high | 96.1 | Very high | 92 Ų | 92 | 65.7 Ų | 65.7 | 49% | 0.492 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 176.1 | -65 | -22.1 | 0 | 0 | 0 | 112.3 | E245 V246 D252 R253 | E245-N249 VanDerWaalsContact O-CG 3.29Å; E245-N249 PolarHBondContact O-N 2.88Å; E245-N249 PolarHBondContact O-ND2 3.43Å; V246-N249 WeakPolarHBondContact O-CB 3.2Å; V246-N249 PolarHBondContact O-N 3.4Å; N249-D252 PolarHBondContact O-N 3.09Å; N249-R253 WeakPolarHBondContact O-CB 3.37Å; N249-R253 PolarHBondContact O-N 3.4Å |
| 250 | L | 97.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.2 | -75.2 | 171.7 | 0 | 0 | 0 | 112.1 | L224 E227 E228 V246 F247 K248 R253 N254 Y260 | L224-L250 HydrophobicContact CD1-CD2 3.95Å; E227-L250 HydrophobicContact CB-CD2 3.67Å; E227-L250 HydrophobicContact CB-CG 4.16Å; E228-L250 HydrophobicContact CG-CD1 4.39Å; E228-L250 HydrophobicContact CG-CD2 4.08Å; V246-L250 HydrophobicContact CG1-CD1 4.09Å; V246-L250 HydrophobicContact CG1-CG 4.45Å; V246-L250 WeakPolarHBondContact O-CG 3.41Å; V246-L250 PolarHBondContact O-N 3.5Å; F247-L250 HydrophobicContact CD1-CD1 3.87Å; F247-L250 HydrophobicContact CE1-CD1 4.11Å; F247-L250 PolarHBondContact O-N 3.09Å; K248-L250 VanDerWaalsContact C-N 3.32Å; K248-L250 PolarHBondContact O-N 3.24Å; L250-R253 WeakPolarHBondContact O-CB 3.38Å; L250-R253 PolarHBondContact O-N 3.06Å; L250-N254 PolarHBondContact O-N 2.92Å; L250-Y260 HydrophobicContact CB-CD1 4.15Å; L250-Y260 HydrophobicContact CB-CD2 3.74Å; L250-Y260 HydrophobicContact CB-CE1 4.33Å; L250-Y260 HydrophobicContact CB-CE2 3.89Å; L250-Y260 HydrophobicContact CB-CG 3.88Å; L250-Y260 HydrophobicContact CD1-CD1 4.21Å; L250-Y260 HydrophobicContact CD1-CE1 4.27Å; L250-Y260 HydrophobicContact CD2-CE1 4.47Å; L250-Y260 WeakPolarHBondContact O-CD2 3.33Å; L250-Y260 VanDerWaalsContact O-CE2 3.26Å; L250-Y260 WeakPolarHBondContact O-CE2 3.23Å |
| 251 | I | 96.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 173.9 | -69.4 | 166 | 0 | 0 | 0 | 110.5 | F247 K248 R253 N254 A255 Y260 Y261 L264 I283 | F247-I251 VanDerWaalsContact O-CG1 3.23Å; F247-I251 WeakPolarHBondContact O-CG1 3.29Å; F247-I251 PolarHBondContact O-N 3.03Å; K248-I251 PolarHBondContact O-N 3.05Å; I251-R253 PolarHBondContact O-N 3.37Å; I251-N254 CarbonylContact O-C 3.3Å; I251-N254 PolarHBondContact O-N 3.06Å; I251-N254 VanDerWaalsContact O-N 3.13Å; I251-A255 HydrophobicContact CG2-CB 4.29Å; I251-A255 WeakPolarHBondContact O-CA 3.38Å; I251-A255 PolarHBondContact O-N 2.99Å; I251-Y260 HydrophobicContact CG1-CD2 4.4Å; I251-Y261 HydrophobicContact CD1-CD1 4.11Å; I251-Y261 HydrophobicContact CD1-CE1 4.2Å; I251-Y261 HydrophobicContact CD1-CG 4.44Å; I251-Y261 HydrophobicContact CG2-CE1 4.39Å; I251-L264 HydrophobicContact CD1-CB 4.32Å; I251-L264 HydrophobicContact CD1-CD2 3.76Å; I251-I283 HydrophobicContact CD1-CD1 4.04Å; I251-I283 HydrophobicContact CG2-CD1 4.42Å; I251-I283 HydrophobicContact CG2-CG2 3.72Å |
| 252 | D | 95.8 | Very high | 96 | Very high | 84 Ų | 84 | 57.1 Ų | 57.1 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -33.2 | 175.8 | -73.5 | -24.7 | 0 | 0 | 0 | 112.1 | K248 N249 H287 | K248-D252 PolarHBondContact O-N 2.96Å; N249-D252 PolarHBondContact O-N 3.09Å; D252-H287 IonicContact OD1-CD2 3.93Å; D252-H287 IonicContact OD1-CE1 3.05Å; D252-H287 IonicContact OD1-NE2 2.63Å; D252-H287 PolarHBondContact OD1-NE2 3.32Å |
| 253 | R | 96 | Very high | 95.9 | Very high | 157 Ų | 157 | 53.8 Ų | 53.8 | 59% | 0.592 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -71.1 | -42 | 172.5 | -174.9 | -178.7 | 176.7 | 95.1 | 2.5 | 112.4 | N249 L250 I251 | N249-R253 WeakPolarHBondContact O-CB 3.37Å; N249-R253 PolarHBondContact O-N 3.4Å; L250-R253 WeakPolarHBondContact O-CB 3.38Å; L250-R253 PolarHBondContact O-N 3.06Å; I251-R253 PolarHBondContact O-N 3.37Å |
| 254 | N | 96.9 | Very high | 95.9 | Very high | 70 Ų | 70 | 53.9 Ų | 53.9 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | trans | -151.8 | 95.7 | 177.6 | 179.3 | 10 | 0 | 0 | 0 | 112.2 | L250 I251 E256 N257 Y260 | L250-N254 PolarHBondContact O-N 2.92Å; I251-N254 CarbonylContact O-C 3.3Å; I251-N254 PolarHBondContact O-N 3.06Å; I251-N254 VanDerWaalsContact O-N 3.13Å; N254-E256 PolarHBondContact O-N 3.41Å; N254-E256 VanDerWaalsContact O-N 3.15Å; N254-E256 PolarHBondContact OD1-N 3.48Å; N254-N257 PolarHBondContact O-N 3.21Å; N254-Y260 HydrophobicContact CB-CE2 4.2Å | ||
| 255 | A | 95.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 55 Ų | 55 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 2.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I251 Y261 H287 A290 T292 | I251-A255 HydrophobicContact CG2-CB 4.29Å; I251-A255 WeakPolarHBondContact O-CA 3.38Å; I251-A255 PolarHBondContact O-N 2.99Å; A255-Y261 WeakPolarHBondContact O-CE2 3.16Å; A255-Y261 PolarHBondContact O-OH 3.14Å; A255-H287 HydrophobicContact CB-CB 4.06Å; A255-A290 HydrophobicContact CB-CB 3.8Å; A255-T292 WeakPolarHBondContact O-CB 3.24Å |
| 256 | E | 95.9 | Very high | 95.6 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -5.1 | 177.6 | -61.3 | -66 | -180 | 0 | 0 | 113.5 | N254 W258 A290 I291 T292 | N254-E256 PolarHBondContact O-N 3.41Å; N254-E256 VanDerWaalsContact O-N 3.15Å; N254-E256 PolarHBondContact OD1-N 3.48Å; E256-W258 PolarHBondContact O-N 3.08Å; E256-A290 WeakPolarHBondContact OE1-CA 3.37Å; E256-I291 PolarHBondContact OE1-N 2.64Å; E256-I291 PolarHBondContact OE2-N 2.68Å; E256-T292 PolarHBondContact O-OG1 3.28Å; E256-T292 VanDerWaalsContact OE2-CB 3.3Å; E256-T292 WeakPolarHBondContact OE2-CB 3.43Å; E256-T292 PolarHBondContact OE2-N 2.79Å; E256-T292 PolarHBondContact OE2-OG1 3.48Å |
| 257 | N | 95.8 | Very high | 95.5 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | trans | -86.4 | 113.9 | 178.7 | -169.3 | -15.5 | 0 | 0 | 0 | 111.4 | N254 C259 Y260 Y261 | N254-N257 PolarHBondContact O-N 3.21Å; N257-C259 VanDerWaalsContact C-N 3.26Å; N257-C259 PolarHBondContact O-N 3.3Å; N257-C259 WeakPolarHBondContact OD1-CB 3.49Å; N257-C259 PolarHBondContact OD1-N 3.17Å; N257-Y260 HydrophobicContact CB-CD1 4.45Å; N257-Y260 HydrophobicContact CB-CD2 3.69Å; N257-Y260 HydrophobicContact CB-CE1 4.34Å; N257-Y260 HydrophobicContact CB-CE2 3.59Å; N257-Y260 HydrophobicContact CB-CG 4.12Å; N257-Y260 VanDerWaalsContact ND2-CE1 3.28Å; N257-Y260 WeakPolarHBondContact ND2-CE1 3.5Å; N257-Y260 PolarHBondContact ND2-OH 3.15Å; N257-Y260 PolarHBondContact O-N 3.45Å; N257-Y261 VanDerWaalsContact O-CD2 3.28Å; N257-Y261 WeakPolarHBondContact O-CD2 3.23Å | ||
| 258 | W | 93.9 | Very high | 95.2 | Very high | 124 Ų | 124 | 57.3 Ų | 57.3 | 47% | 0.47 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.9 | -32.4 | -178.3 | -65.6 | 17.2 | 0 | 0 | 0 | 112.6 | E256 Y260 Y261 E262 T292 L296 | E256-W258 PolarHBondContact O-N 3.08Å; W258-Y260 PolarHBondContact O-N 3.14Å; W258-Y261 PolarHBondContact O-N 2.86Å; W258-E262 PolarHBondContact O-N 3.12Å; W258-T292 HydrophobicContact CG-CG2 4.25Å; W258-T292 PolarHBondContact NE1-OG1 3.05Å; W258-L296 HydrophobicContact CD2-CD2 3.86Å; W258-L296 HydrophobicContact CE3-CD2 3.99Å; W258-L296 HydrophobicContact CG-CD2 4.21Å; W258-L296 HydrophobicContact CZ3-CD2 4.42Å |
| 259 | C | 94.9 | Very high | 94.9 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 53% | 0.527 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -30.8 | -176.8 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | N257 E262 G263 | N257-C259 VanDerWaalsContact C-N 3.26Å; N257-C259 PolarHBondContact O-N 3.3Å; N257-C259 WeakPolarHBondContact OD1-CB 3.49Å; N257-C259 PolarHBondContact OD1-N 3.17Å; C259-E262 PolarHBondContact O-N 3.17Å; C259-G263 PolarHBondContact O-N 2.89Å |
| 260 | Y | 96.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 4% | 0.043 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.8 | -33.8 | -179.3 | -53 | -22.6 | 0 | 0 | 0 | 112 | E228 L250 I251 N254 N257 W258 G263 L264 | E228-Y260 HydrophobicContact CG-CE1 4.29Å; E228-Y260 PolarHBondContact OE1-OH 3.46Å; E228-Y260 VanDerWaalsContact OE1-OH 3.04Å; L250-Y260 HydrophobicContact CB-CD1 4.15Å; L250-Y260 HydrophobicContact CB-CD2 3.74Å; L250-Y260 HydrophobicContact CB-CE1 4.33Å; L250-Y260 HydrophobicContact CB-CE2 3.89Å; L250-Y260 HydrophobicContact CB-CG 3.88Å; L250-Y260 HydrophobicContact CD1-CD1 4.21Å; L250-Y260 HydrophobicContact CD1-CE1 4.27Å; L250-Y260 HydrophobicContact CD2-CE1 4.47Å; L250-Y260 WeakPolarHBondContact O-CD2 3.33Å; L250-Y260 VanDerWaalsContact O-CE2 3.26Å; L250-Y260 WeakPolarHBondContact O-CE2 3.23Å; I251-Y260 HydrophobicContact CG1-CD2 4.4Å; N254-Y260 HydrophobicContact CB-CE2 4.2Å; N257-Y260 HydrophobicContact CB-CD1 4.45Å; N257-Y260 HydrophobicContact CB-CD2 3.69Å; N257-Y260 HydrophobicContact CB-CE1 4.34Å; N257-Y260 HydrophobicContact CB-CE2 3.59Å; N257-Y260 HydrophobicContact CB-CG 4.12Å; N257-Y260 VanDerWaalsContact ND2-CE1 3.28Å; N257-Y260 WeakPolarHBondContact ND2-CE1 3.5Å; N257-Y260 PolarHBondContact ND2-OH 3.15Å; N257-Y260 PolarHBondContact O-N 3.45Å; W258-Y260 PolarHBondContact O-N 3.14Å; Y260-G263 PolarHBondContact O-N 2.77Å; Y260-L264 WeakPolarHBondContact O-CB 3.49Å; Y260-L264 PolarHBondContact O-N 3.39Å |
| 261 | Y | 94.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 171.9 | -64.7 | -86.3 | 0 | 0 | 0 | 110.5 | I251 A255 N257 W258 G263 L264 E265 Y280 I283 T292 P293 L296 | I251-Y261 HydrophobicContact CD1-CD1 4.11Å; I251-Y261 HydrophobicContact CD1-CE1 4.2Å; I251-Y261 HydrophobicContact CD1-CG 4.44Å; I251-Y261 HydrophobicContact CG2-CE1 4.39Å; A255-Y261 WeakPolarHBondContact O-CE2 3.16Å; A255-Y261 PolarHBondContact O-OH 3.14Å; N257-Y261 VanDerWaalsContact O-CD2 3.28Å; N257-Y261 WeakPolarHBondContact O-CD2 3.23Å; W258-Y261 PolarHBondContact O-N 2.86Å; Y261-G263 VanDerWaalsContact C-N 3.31Å; Y261-G263 PolarHBondContact O-N 2.99Å; Y261-L264 PolarHBondContact O-N 2.92Å; Y261-E265 VanDerWaalsContact O-CG 3.32Å; Y261-E265 WeakPolarHBondContact O-CG 3.16Å; Y261-E265 PolarHBondContact O-N 3.45Å; Y261-Y280 AromaticContact CD1-CD1 3.87Å; Y261-Y280 HydrophobicContact CD1-CD1 3.87Å; Y261-Y280 AromaticContact CD1-CE1 3.42Å; Y261-Y280 HydrophobicContact CD1-CE1 3.42Å; Y261-Y280 VanDerWaalsContact CD1-CE1 3.42Å; Y261-Y280 HydrophobicContact CE1-CD1 4.11Å; Y261-Y280 HydrophobicContact CE1-CE1 4.09Å; Y261-Y280 AromaticContact CG-CE1 3.93Å; Y261-Y280 HydrophobicContact CG-CE1 3.93Å; Y261-I283 HydrophobicContact CD1-CD1 4.13Å; Y261-I283 HydrophobicContact CE1-CB 4.46Å; Y261-I283 HydrophobicContact CE1-CD1 3.72Å; Y261-I283 HydrophobicContact CE1-CG2 3.91Å; Y261-I283 WeakPolarHBondContact OH-CG2 3.21Å; Y261-T292 HydrophobicContact CD2-CG2 3.8Å; Y261-T292 HydrophobicContact CE2-CG2 3.44Å; Y261-T292 VanDerWaalsContact CE2-CG2 3.44Å; Y261-P293 HydrophobicContact CE1-CB 4.2Å; Y261-L296 HydrophobicContact CD1-CD1 4.49Å; Y261-L296 HydrophobicContact CD2-CD1 3.88Å; Y261-L296 HydrophobicContact CG-CD1 3.84Å |
| 262 | E | 93 | Very high | 93 | Very high | 100 Ų | 100 | 63.2 Ų | 63.2 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 174.8 | -66.4 | -178 | -172 | 0 | 0 | 112.5 | W258 C259 E265 K266 | W258-E262 PolarHBondContact O-N 3.12Å; C259-E262 PolarHBondContact O-N 3.17Å; E262-E265 PolarHBondContact O-N 2.89Å; E262-K266 VanDerWaalsContact O-CG 3.3Å; E262-K266 WeakPolarHBondContact O-CG 3.14Å; E262-K266 PolarHBondContact O-N 3.39Å |
| 263 | G | 94.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F247 C259 Y260 Y261 K266 A267 | F247-G263 VanDerWaalsContact CD2-C 3.43Å; C259-G263 PolarHBondContact O-N 2.89Å; Y260-G263 PolarHBondContact O-N 2.77Å; Y261-G263 VanDerWaalsContact C-N 3.31Å; Y261-G263 PolarHBondContact O-N 2.99Å; G263-K266 PolarHBondContact O-N 2.95Å; G263-A267 WeakPolarHBondContact O-CB 3.48Å; G263-A267 PolarHBondContact O-N 2.9Å |
| 264 | L | 95.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 176 | -176.2 | 61.2 | 0 | 0 | 0 | 112 | F247 K248 I251 Y260 Y261 K266 A267 L268 I279 I283 | F247-L264 HydrophobicContact CB-CB 3.95Å; F247-L264 HydrophobicContact CB-CD1 4.3Å; K248-L264 HydrophobicContact CG-CD1 4.05Å; K248-L264 HydrophobicContact CG-CD2 4.36Å; I251-L264 HydrophobicContact CD1-CB 4.32Å; I251-L264 HydrophobicContact CD1-CD2 3.76Å; Y260-L264 WeakPolarHBondContact O-CB 3.49Å; Y260-L264 PolarHBondContact O-N 3.39Å; Y261-L264 PolarHBondContact O-N 2.92Å; L264-K266 VanDerWaalsContact C-N 3.34Å; L264-K266 PolarHBondContact O-N 3.03Å; L264-A267 PolarHBondContact O-N 3.48Å; L264-L268 HydrophobicContact CD1-CD1 3.83Å; L264-L268 HydrophobicContact CD1-CG 4.05Å; L264-L268 HydrophobicContact CG-CD1 3.93Å; L264-L268 HydrophobicContact CG-CG 4.45Å; L264-L268 WeakPolarHBondContact O-CB 3.41Å; L264-L268 WeakPolarHBondContact O-CG 3.37Å; L264-L268 PolarHBondContact O-N 2.71Å; L264-I279 HydrophobicContact CD2-CG2 3.89Å; L264-I283 HydrophobicContact CD2-CD1 4.03Å |
| 265 | E | 92.9 | Very high | 91.6 | Very high | 35 Ų | 35 | 61.7 Ų | 61.7 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 176.4 | -71.2 | -173.5 | 177.1 | 0 | 0 | 111.6 | Y261 E262 Q269 I270 R276 Y280 | Y261-E265 VanDerWaalsContact O-CG 3.32Å; Y261-E265 WeakPolarHBondContact O-CG 3.16Å; Y261-E265 PolarHBondContact O-N 3.45Å; E262-E265 PolarHBondContact O-N 2.89Å; E265-Q269 PolarHBondContact O-N 2.69Å; E265-I270 HydrophobicContact CB-CD1 4.07Å; E265-I270 HydrophobicContact CG-CD1 3.88Å; E265-R276 HydrophobicContact CG-CG 4.46Å; E265-R276 WeakPolarHBondContact OE1-CD 3.37Å; E265-R276 WeakPolarHBondContact OE1-CG 3.31Å; E265-R276 IonicContact OE1-NE 3.54Å; E265-R276 IonicContact OE1-NH1 3.51Å; E265-R276 IonicContact OE2-CZ 3.29Å; E265-R276 VanDerWaalsContact OE2-CZ 3.32Å; E265-R276 IonicContact OE2-NE 2.74Å; E265-R276 IonicContact OE2-NH1 3.6Å; E265-R276 PolarHBondContact OE2-NH1 3.4Å; E265-Y280 WeakPolarHBondContact OE1-CE2 3.4Å; E265-Y280 VanDerWaalsContact OE1-CZ 3.32Å; E265-Y280 PolarHBondContact OE1-OH 2.92Å |
| 266 | K | 93.3 | Very high | 91.3 | Very high | 131 Ų | 131 | 64.1 Ų | 64.1 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.8 | -41.7 | 174.8 | -72.7 | 170.4 | -174.9 | 169.2 | 0 | 111.7 | L235 E262 G263 L264 Q269 | L235-K266 HydrophobicContact CD1-CB 4.33Å; L235-K266 HydrophobicContact CD2-CB 4.07Å; E262-K266 VanDerWaalsContact O-CG 3.3Å; E262-K266 WeakPolarHBondContact O-CG 3.14Å; E262-K266 PolarHBondContact O-N 3.39Å; G263-K266 PolarHBondContact O-N 2.95Å; L264-K266 VanDerWaalsContact C-N 3.34Å; L264-K266 PolarHBondContact O-N 3.03Å; K266-Q269 PolarHBondContact O-N 3.33Å |
| 267 | A | 95.2 | Very high | 91 | Very high | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | L235 L240 A243 F247 G263 L264 Q269 | L235-A267 HydrophobicContact CD2-CB 3.84Å; L240-A267 WeakPolarHBondContact CB-O 3.47Å; A243-A267 HydrophobicContact CB-CB 3.96Å; F247-A267 HydrophobicContact CD2-CB 4.49Å; G263-A267 WeakPolarHBondContact O-CB 3.48Å; G263-A267 PolarHBondContact O-N 2.9Å; L264-A267 PolarHBondContact O-N 3.48Å; A267-Q269 VanDerWaalsContact C-N 3.32Å; A267-Q269 PolarHBondContact O-N 2.86Å |
| 268 | L | 92.7 | Very high | 90.7 | Very high | 69 Ų | 69 | 64 Ų | 64 | 36% | 0.361 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -82.8 | -5.8 | -178.9 | -66.6 | 176.3 | 0 | 0 | 0 | 114 | L264 I270 I279 | L264-L268 HydrophobicContact CD1-CD1 3.83Å; L264-L268 HydrophobicContact CD1-CG 4.05Å; L264-L268 HydrophobicContact CG-CD1 3.93Å; L264-L268 HydrophobicContact CG-CG 4.45Å; L264-L268 WeakPolarHBondContact O-CB 3.41Å; L264-L268 WeakPolarHBondContact O-CG 3.37Å; L264-L268 PolarHBondContact O-N 2.71Å; L268-I270 VanDerWaalsContact C-N 3.25Å; L268-I270 HydrophobicContact CB-CD1 4.24Å; L268-I270 HydrophobicContact CB-CG1 3.75Å; L268-I270 PolarHBondContact O-N 2.76Å; L268-I279 HydrophobicContact CD1-CD1 3.53Å; L268-I279 HydrophobicContact CD1-CG1 4.33Å |
| 269 | Q | 89.2 | Confident | 90.6 | Very high | 145 Ų | 145 | 59.5 Ų | 59.5 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 43.5 | -177.9 | -64.2 | -175 | -38.8 | 0 | 0 | 113.2 | L240 E265 K266 A267 S271 | L240-Q269 HydrophobicContact CD1-CG 3.71Å; L240-Q269 VanDerWaalsContact CD1-NE2 3.29Å; E265-Q269 PolarHBondContact O-N 2.69Å; K266-Q269 PolarHBondContact O-N 3.33Å; A267-Q269 VanDerWaalsContact C-N 3.32Å; A267-Q269 PolarHBondContact O-N 2.86Å; Q269-S271 PolarHBondContact O-N 2.81Å |
| 270 | I | 84.5 | Confident | 90.5 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | trans | -65.7 | 121.9 | -172.6 | -56.1 | 161.4 | 0 | 0 | 0 | 110.3 | E265 L268 T272 E275 R276 I279 | E265-I270 HydrophobicContact CB-CD1 4.07Å; E265-I270 HydrophobicContact CG-CD1 3.88Å; L268-I270 VanDerWaalsContact C-N 3.25Å; L268-I270 HydrophobicContact CB-CD1 4.24Å; L268-I270 HydrophobicContact CB-CG1 3.75Å; L268-I270 PolarHBondContact O-N 2.76Å; I270-T272 VanDerWaalsContact CG2-O 3.27Å; I270-T272 WeakPolarHBondContact CG2-O 3.21Å; I270-E275 HydrophobicContact CG2-CB 3.79Å; I270-R276 HydrophobicContact CD1-CG 4.41Å; I270-R276 HydrophobicContact CG2-CB 3.84Å; I270-I279 HydrophobicContact CD1-CD1 3.28Å; I270-I279 HydrophobicContact CG1-CD1 3.99Å | ||
| 271 | S | 78.9 | Confident | 90.3 | Very high | 106 Ų | 106 | 59.3 Ų | 59.3 | 74% | 0.741 | 29% | 0.294 | S | S | * | . | trans | -101.6 | -28 | -176.8 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | Q269 | Q269-S271 PolarHBondContact O-N 2.81Š| ||
| 272 | T | 86.6 | Confident | 90.2 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 32% | 0.319 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -105.7 | 155.2 | -177.3 | 68 | 0 | 0 | 0 | 0 | 112.5 | I270 E274 E275 | I270-T272 VanDerWaalsContact CG2-O 3.27Å; I270-T272 WeakPolarHBondContact CG2-O 3.21Å; T272-E274 VanDerWaalsContact C-N 3.33Å; T272-E275 PolarHBondContact N-OE2 2.86Å; T272-E275 VanDerWaalsContact OG1-CB 3.31Å; T272-E275 WeakPolarHBondContact OG1-CB 3.42Å; T272-E275 WeakPolarHBondContact OG1-CG 3.31Å; T272-E275 PolarHBondContact OG1-N 3.5Å; T272-E275 PolarHBondContact OG1-OE2 3.23Å |
| 273 | L | 87.3 | Confident | 90.3 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 29% | 0.288 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.2 | -34.6 | 177.3 | 179.9 | 60.7 | 0 | 0 | 0 | 110.7 | R276 L277 L300 V301 | L273-R276 WeakPolarHBondContact O-CB 3.47Å; L273-R276 PolarHBondContact O-N 2.94Å; L273-L277 HydrophobicContact CD1-CG 4.44Å; L273-L277 HydrophobicContact CG-CD1 4.26Å; L273-L277 HydrophobicContact CG-CG 4.47Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.45Å; L273-L277 PolarHBondContact O-N 3.08Å; L273-L300 HydrophobicContact CD1-CB 3.91Å; L273-V301 HydrophobicContact CD1-CG1 4.29Å; L273-V301 HydrophobicContact CD2-CG1 4.21Å; L273-V301 HydrophobicContact CG-CG1 4.47Å |
| 274 | E | 86.1 | Confident | 90.2 | Very high | 132 Ų | 132 | 60.4 Ų | 60.4 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.6 | -48.1 | -176.4 | -67.1 | 69 | -153.9 | 0 | 0 | 111.7 | T272 R276 L277 Q278 | T272-E274 VanDerWaalsContact C-N 3.33Å; E274-R276 PolarHBondContact O-N 2.97Å; E274-L277 PolarHBondContact O-N 3.13Å; E274-Q278 PolarHBondContact O-N 3.34Å |
| 275 | E | 86.6 | Confident | 90.2 | Very high | 92 Ų | 92 | 67.6 Ų | 67.6 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.5 | -40.5 | 174.3 | -73.9 | 165.1 | 166.1 | 0 | 0 | 111.2 | I270 T272 Q278 I279 | I270-E275 HydrophobicContact CG2-CB 3.79Å; T272-E275 PolarHBondContact N-OE2 2.86Å; T272-E275 VanDerWaalsContact OG1-CB 3.31Å; T272-E275 WeakPolarHBondContact OG1-CB 3.42Å; T272-E275 WeakPolarHBondContact OG1-CG 3.31Å; T272-E275 PolarHBondContact OG1-N 3.5Å; T272-E275 PolarHBondContact OG1-OE2 3.23Å; E275-Q278 PolarHBondContact O-N 3.42Å; E275-I279 WeakPolarHBondContact O-CG1 3.44Å; E275-I279 PolarHBondContact O-N 3.44Å |
| 276 | R | 88.8 | Confident | 90.2 | Very high | 62 Ų | 62 | 71.9 Ų | 71.9 | 23% | 0.234 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 179.4 | -166.4 | 178.5 | -67.7 | -152.5 | 8 | 111.6 | E265 I270 L273 E274 Q278 I279 Y280 L300 | E265-R276 HydrophobicContact CG-CG 4.46Å; E265-R276 WeakPolarHBondContact OE1-CD 3.37Å; E265-R276 WeakPolarHBondContact OE1-CG 3.31Å; E265-R276 IonicContact OE1-NE 3.54Å; E265-R276 IonicContact OE1-NH1 3.51Å; E265-R276 IonicContact OE2-CZ 3.29Å; E265-R276 VanDerWaalsContact OE2-CZ 3.32Å; E265-R276 IonicContact OE2-NE 2.74Å; E265-R276 IonicContact OE2-NH1 3.6Å; E265-R276 PolarHBondContact OE2-NH1 3.4Å; I270-R276 HydrophobicContact CD1-CG 4.41Å; I270-R276 HydrophobicContact CG2-CB 3.84Å; L273-R276 WeakPolarHBondContact O-CB 3.47Å; L273-R276 PolarHBondContact O-N 2.94Å; E274-R276 PolarHBondContact O-N 2.97Å; R276-Q278 VanDerWaalsContact C-N 3.31Å; R276-Q278 PolarHBondContact O-N 3.01Å; R276-I279 PolarHBondContact O-N 3.12Å; R276-Y280 HydrophobicContact CG-CD2 4.21Å; R276-Y280 HydrophobicContact CG-CE2 3.69Å; R276-Y280 WeakPolarHBondContact O-CD2 3.44Å; R276-Y280 PolarHBondContact O-N 3.18Å; R276-L300 HydrophobicContact CG-CD1 4.34Å |
| 277 | L | 89.8 | Confident | 90.2 | Very high | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 176.7 | -70.7 | 176.6 | 0 | 0 | 0 | 111.9 | L273 E274 I279 Y280 E281 P297 V301 R305 L309 | L273-L277 HydrophobicContact CD1-CG 4.44Å; L273-L277 HydrophobicContact CG-CD1 4.26Å; L273-L277 HydrophobicContact CG-CG 4.47Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.45Å; L273-L277 PolarHBondContact O-N 3.08Å; E274-L277 PolarHBondContact O-N 3.13Å; L277-I279 VanDerWaalsContact C-N 3.29Å; L277-I279 PolarHBondContact O-N 3.5Å; L277-Y280 PolarHBondContact O-N 3.35Å; L277-E281 WeakPolarHBondContact O-CG 3.43Å; L277-E281 PolarHBondContact O-N 3.42Å; L277-P297 HydrophobicContact CD2-CB 3.67Å; L277-P297 HydrophobicContact CD2-CG 4.26Å; L277-V301 HydrophobicContact CD1-CG1 3.63Å; L277-V301 HydrophobicContact CD2-CG1 3.71Å; L277-V301 HydrophobicContact CG-CG1 4.16Å; L277-R305 HydrophobicContact CD1-CG 4.44Å; L277-L309 HydrophobicContact CD2-CD1 4.31Å |
| 278 | Q | 90.4 | Very high | 90 | Very high | 104 Ų | 104 | 71.9 Ų | 71.9 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 177.8 | -175.8 | 177.5 | -12.9 | 0 | 0 | 111.6 | E274 E275 R276 Y280 E281 E282 | E274-Q278 PolarHBondContact O-N 3.34Å; E275-Q278 PolarHBondContact O-N 3.42Å; R276-Q278 VanDerWaalsContact C-N 3.31Å; R276-Q278 PolarHBondContact O-N 3.01Å; Q278-Y280 PolarHBondContact O-N 3.38Å; Q278-E281 PolarHBondContact O-N 3.08Å; Q278-E282 HydrophobicContact CG-CG 4.46Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.37Å; Q278-E282 PolarHBondContact NE2-OE1 3.08Å; Q278-E282 WeakPolarHBondContact O-CB 3.31Å; Q278-E282 WeakPolarHBondContact O-CG 3.23Å; Q278-E282 PolarHBondContact O-N 3.46Å |
| 279 | I | 91.8 | Very high | 89.9 | Confident | 30 Ų | 30 | 78 Ų | 78 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 176.8 | -69.1 | 157.9 | 0 | 0 | 0 | 111.2 | L264 L268 I270 E275 R276 L277 E281 E282 I283 | L264-I279 HydrophobicContact CD2-CG2 3.89Å; L268-I279 HydrophobicContact CD1-CD1 3.53Å; L268-I279 HydrophobicContact CD1-CG1 4.33Å; I270-I279 HydrophobicContact CD1-CD1 3.28Å; I270-I279 HydrophobicContact CG1-CD1 3.99Å; E275-I279 WeakPolarHBondContact O-CG1 3.44Å; E275-I279 PolarHBondContact O-N 3.44Å; R276-I279 PolarHBondContact O-N 3.12Å; L277-I279 VanDerWaalsContact C-N 3.29Å; L277-I279 PolarHBondContact O-N 3.5Å; I279-E281 VanDerWaalsContact C-N 3.3Å; I279-E281 PolarHBondContact O-N 2.98Å; I279-E282 PolarHBondContact O-N 3.5Å; I279-I283 HydrophobicContact CG2-CD1 3.64Å; I279-I283 HydrophobicContact CG2-CG1 4.46Å; I279-I283 WeakPolarHBondContact O-CB 3.33Å; I279-I283 VanDerWaalsContact O-CG1 3.28Å; I279-I283 WeakPolarHBondContact O-CG1 3.24Å; I279-I283 PolarHBondContact O-N 3.26Å |
| 280 | Y | 93 | Very high | 90.1 | Very high | 11 Ų | 11 | 71.4 Ų | 71.4 | 4% | 0.043 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 176.6 | -72.3 | -63.9 | 0 | 0 | 0 | 112.2 | Y261 E265 R276 L277 Q278 S284 P293 L296 P297 L300 | Y261-Y280 AromaticContact CD1-CD1 3.87Å; Y261-Y280 HydrophobicContact CD1-CD1 3.87Å; Y261-Y280 AromaticContact CD1-CE1 3.42Å; Y261-Y280 HydrophobicContact CD1-CE1 3.42Å; Y261-Y280 VanDerWaalsContact CD1-CE1 3.42Å; Y261-Y280 HydrophobicContact CE1-CD1 4.11Å; Y261-Y280 HydrophobicContact CE1-CE1 4.09Å; Y261-Y280 AromaticContact CG-CE1 3.93Å; Y261-Y280 HydrophobicContact CG-CE1 3.93Å; E265-Y280 WeakPolarHBondContact OE1-CE2 3.4Å; E265-Y280 VanDerWaalsContact OE1-CZ 3.32Å; E265-Y280 PolarHBondContact OE1-OH 2.92Å; R276-Y280 HydrophobicContact CG-CD2 4.21Å; R276-Y280 HydrophobicContact CG-CE2 3.69Å; R276-Y280 WeakPolarHBondContact O-CD2 3.44Å; R276-Y280 PolarHBondContact O-N 3.18Å; L277-Y280 PolarHBondContact O-N 3.35Å; Q278-Y280 PolarHBondContact O-N 3.38Å; Y280-S284 WeakPolarHBondContact O-CB 3.49Å; Y280-S284 PolarHBondContact O-N 2.9Å; Y280-P293 HydrophobicContact CD1-CB 4.4Å; Y280-L296 HydrophobicContact CD1-CB 4.47Å; Y280-L296 HydrophobicContact CE1-CB 3.83Å; Y280-L296 HydrophobicContact CE1-CD1 3.7Å; Y280-L296 HydrophobicContact CE1-CG 4.43Å; Y280-P297 HydrophobicContact CD1-CG 4.35Å; Y280-P297 HydrophobicContact CD2-CG 3.83Å; Y280-P297 HydrophobicContact CG-CG 3.71Å; Y280-L300 HydrophobicContact CE2-CD1 4.11Å |
| 281 | E | 91.9 | Very high | 90.5 | Very high | 73 Ų | 73 | 73.8 Ų | 73.8 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 176 | -73.4 | -179 | -170.3 | 0 | 0 | 112.1 | L277 Q278 I279 S284 K285 R305 | L277-E281 WeakPolarHBondContact O-CG 3.43Å; L277-E281 PolarHBondContact O-N 3.42Å; Q278-E281 PolarHBondContact O-N 3.08Å; I279-E281 VanDerWaalsContact C-N 3.3Å; I279-E281 PolarHBondContact O-N 2.98Å; E281-S284 PolarHBondContact O-N 3.17Å; E281-K285 WeakPolarHBondContact O-CG 3.49Å; E281-K285 PolarHBondContact O-N 2.78Å; E281-R305 IonicContact OE1-NH2 2.78Å; E281-R305 PolarHBondContact OE1-NH2 2.93Å |
| 282 | E | 93 | Very high | 91.1 | Very high | 91 Ų | 91 | 69 Ų | 69 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 175.6 | -74.9 | 174.8 | -168.9 | 0 | 0 | 111.3 | Q278 I279 S284 K285 Q286 | Q278-E282 HydrophobicContact CG-CG 4.46Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.37Å; Q278-E282 PolarHBondContact NE2-OE1 3.08Å; Q278-E282 WeakPolarHBondContact O-CB 3.31Å; Q278-E282 WeakPolarHBondContact O-CG 3.23Å; Q278-E282 PolarHBondContact O-N 3.46Å; I279-E282 PolarHBondContact O-N 3.5Å; E282-S284 VanDerWaalsContact C-N 3.34Å; E282-S284 PolarHBondContact O-N 3.22Å; E282-K285 WeakPolarHBondContact O-CB 3.32Å; E282-K285 PolarHBondContact O-N 3.45Å; E282-Q286 PolarHBondContact O-N 3.23Å; E282-Q286 VanDerWaalsContact O-N 3.1Å |
| 283 | I | 93.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 66.7 Ų | 66.7 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66 | -38.8 | 177.7 | -64.6 | 166.9 | 0 | 0 | 0 | 110.7 | I251 Y261 L264 I279 K285 Q286 H287 P293 | I251-I283 HydrophobicContact CD1-CD1 4.04Å; I251-I283 HydrophobicContact CG2-CD1 4.42Å; I251-I283 HydrophobicContact CG2-CG2 3.72Å; Y261-I283 HydrophobicContact CD1-CD1 4.13Å; Y261-I283 HydrophobicContact CE1-CB 4.46Å; Y261-I283 HydrophobicContact CE1-CD1 3.72Å; Y261-I283 HydrophobicContact CE1-CG2 3.91Å; Y261-I283 WeakPolarHBondContact OH-CG2 3.21Å; L264-I283 HydrophobicContact CD2-CD1 4.03Å; I279-I283 HydrophobicContact CG2-CD1 3.64Å; I279-I283 HydrophobicContact CG2-CG1 4.46Å; I279-I283 WeakPolarHBondContact O-CB 3.33Å; I279-I283 VanDerWaalsContact O-CG1 3.28Å; I279-I283 WeakPolarHBondContact O-CG1 3.24Å; I279-I283 PolarHBondContact O-N 3.26Å; I283-K285 PolarHBondContact O-N 3.37Å; I283-Q286 PolarHBondContact O-N 3.49Å; I283-H287 PolarHBondContact O-N 2.66Å; I283-P293 HydrophobicContact CG2-CB 4.28Å |
| 284 | S | 93.8 | Very high | 91.7 | Very high | 25 Ų | 25 | 67.6 Ų | 67.6 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.8 | -28.6 | 176.2 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | Y280 E281 E282 H287 P288 R294 | Y280-S284 WeakPolarHBondContact O-CB 3.49Å; Y280-S284 PolarHBondContact O-N 2.9Å; E281-S284 PolarHBondContact O-N 3.17Å; E282-S284 VanDerWaalsContact C-N 3.34Å; E282-S284 PolarHBondContact O-N 3.22Å; S284-H287 CarbonylContact O-C 3.52Å; S284-P288 WeakPolarHBondContact O-CA 3.11Å; S284-R294 WeakPolarHBondContact OG-CG 3.4Å |
| 285 | K | 93.9 | Very high | 92.1 | Very high | 155 Ų | 155 | 61.7 Ų | 61.7 | 67% | 0.674 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -73.6 | -39.3 | 173.3 | -72.6 | 168.4 | -174.8 | 170.8 | 0 | 111.6 | E281 E282 I283 P288 | E281-K285 WeakPolarHBondContact O-CG 3.49Å; E281-K285 PolarHBondContact O-N 2.78Å; E282-K285 WeakPolarHBondContact O-CB 3.32Å; E282-K285 PolarHBondContact O-N 3.45Å; I283-K285 PolarHBondContact O-N 3.37Å; K285-P288 WeakPolarHBondContact O-CG 3.48Å |
| 286 | Q | 94.2 | Very high | 92.4 | Very high | 125 Ų | 125 | 58.3 Ų | 58.3 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69 | -36.5 | 176.1 | -69.2 | 174.7 | -10.6 | 0 | 0 | 112.1 | E282 I283 P288 | E282-Q286 PolarHBondContact O-N 3.23Å; E282-Q286 VanDerWaalsContact O-N 3.1Å; I283-Q286 PolarHBondContact O-N 3.49Å; Q286-P288 VanDerWaalsContact C-CD 3.49Å; Q286-P288 WeakPolarHBondContact O-CD 3.37Å |
| 287 | H | 93.8 | Very high | 92.6 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 22% | 0.218 | 27% | 0.267 | C | S | . | . | trans | -122.8 | 70.4 | -178.7 | -60.2 | -77.1 | 0 | 0 | 0 | 112.2 | D252 A255 I283 S284 K289 A290 | D252-H287 IonicContact OD1-CD2 3.93Å; D252-H287 IonicContact OD1-CE1 3.05Å; D252-H287 IonicContact OD1-NE2 2.63Å; D252-H287 PolarHBondContact OD1-NE2 3.32Å; A255-H287 HydrophobicContact CB-CB 4.06Å; I283-H287 PolarHBondContact O-N 2.66Å; S284-H287 CarbonylContact O-C 3.52Å; H287-K289 PolarHBondContact O-N 3.22Å; H287-K289 VanDerWaalsContact O-N 3.09Å; H287-A290 HydrophobicContact CB-CB 3.93Å; H287-A290 WeakPolarHBondContact O-CB 3.21Å; H287-A290 PolarHBondContact O-N 3.32Å | ||
| 288 | P | 90.9 | Very high | 92.8 | Very high | 88 Ų | 88 | 55.1 Ų | 55.1 | 57% | 0.571 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.8 | -173.4 | -25.3 | 34.5 | 0 | 0 | 0 | 115 | S284 K285 Q286 A290 R294 | S284-P288 WeakPolarHBondContact O-CA 3.11Å; K285-P288 WeakPolarHBondContact O-CG 3.48Å; Q286-P288 VanDerWaalsContact C-CD 3.49Å; Q286-P288 WeakPolarHBondContact O-CD 3.37Å; P288-A290 VanDerWaalsContact C-N 3.34Å; P288-R294 PolarHBondContact O-NH2 3.03Å |
| 289 | K | 90.3 | Very high | 92.8 | Very high | 198 Ų | 198 | 53.5 Ų | 53.5 | 86% | 0.861 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -21.8 | 178.4 | -66.7 | -176.4 | -179.4 | 177.9 | 0 | 112.4 | H287 R294 | H287-K289 PolarHBondContact O-N 3.22Å; H287-K289 VanDerWaalsContact O-N 3.09Å; K289-R294 PolarHBondContact O-NH2 2.88Å |
| 290 | A | 93 | Very high | 92.6 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | trans | -67 | 134.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A255 E256 H287 P288 P293 R294 | A255-A290 HydrophobicContact CB-CB 3.8Å; E256-A290 WeakPolarHBondContact OE1-CA 3.37Å; H287-A290 HydrophobicContact CB-CB 3.93Å; H287-A290 WeakPolarHBondContact O-CB 3.21Å; H287-A290 PolarHBondContact O-N 3.32Å; P288-A290 VanDerWaalsContact C-N 3.34Å; A290-P293 HydrophobicContact CB-CG 3.77Å; A290-R294 PolarHBondContact O-NE 3.44Å; A290-R294 PolarHBondContact O-NH2 3.08Å | ||
| 291 | I | 92.1 | Very high | 92.5 | Very high | 70 Ų | 70 | 54.6 Ų | 54.6 | 36% | 0.359 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -89.8 | -41.2 | -179.3 | -60.7 | 175.1 | 0 | 0 | 0 | 109.9 | E256 R294 R295 F313 | E256-I291 PolarHBondContact OE1-N 2.64Å; E256-I291 PolarHBondContact OE2-N 2.68Å; I291-R294 PolarHBondContact O-N 3.02Å; I291-R295 HydrophobicContact CG2-CB 4.39Å; I291-R295 WeakPolarHBondContact O-CB 3.02Å; I291-R295 PolarHBondContact O-N 3.33Å; I291-F313 HydrophobicContact CG2-CE2 4.18Å; I291-F313 HydrophobicContact CG2-CZ 4.3Å |
| 292 | T | 92.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -49.2 | -50.8 | -177.9 | -65.9 | 0 | 0 | 0 | 0 | 114.8 | A255 E256 W258 Y261 R294 R295 L296 | A255-T292 WeakPolarHBondContact O-CB 3.24Å; E256-T292 PolarHBondContact O-OG1 3.28Å; E256-T292 VanDerWaalsContact OE2-CB 3.3Å; E256-T292 WeakPolarHBondContact OE2-CB 3.43Å; E256-T292 PolarHBondContact OE2-N 2.79Å; E256-T292 PolarHBondContact OE2-OG1 3.48Å; W258-T292 HydrophobicContact CG-CG2 4.25Å; W258-T292 PolarHBondContact NE1-OG1 3.05Å; Y261-T292 HydrophobicContact CD2-CG2 3.8Å; Y261-T292 HydrophobicContact CE2-CG2 3.44Å; Y261-T292 VanDerWaalsContact CE2-CG2 3.44Å; T292-R294 PolarHBondContact O-N 3.46Å; T292-R294 VanDerWaalsContact O-N 3.16Å; T292-R295 PolarHBondContact O-N 3.42Å; T292-L296 HydrophobicContact CG2-CD1 3.52Å; T292-L296 HydrophobicContact CG2-CG 3.93Å; T292-L296 PolarHBondContact O-N 3.11Å |
| 293 | P | 93.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.7 | -19.4 | -178.6 | 25.6 | -34.3 | 0 | 0 | 0 | 113.5 | Y261 Y280 I283 A290 P297 | Y261-P293 HydrophobicContact CE1-CB 4.2Å; Y280-P293 HydrophobicContact CD1-CB 4.4Å; I283-P293 HydrophobicContact CG2-CB 4.28Å; A290-P293 HydrophobicContact CB-CG 3.77Å; P293-P297 WeakPolarHBondContact O-CD 3.48Å; P293-P297 WeakPolarHBondContact O-CG 3.37Å |
| 294 | R | 92.4 | Very high | 92 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -89.6 | -28.3 | 173.5 | -64.3 | 177.6 | -74.4 | 172.3 | -5.6 | 112.2 | S284 P288 K289 A290 I291 T292 F313 | S284-R294 WeakPolarHBondContact OG-CG 3.4Å; P288-R294 PolarHBondContact O-NH2 3.03Å; K289-R294 PolarHBondContact O-NH2 2.88Å; A290-R294 PolarHBondContact O-NE 3.44Å; A290-R294 PolarHBondContact O-NH2 3.08Å; I291-R294 PolarHBondContact O-N 3.02Å; T292-R294 PolarHBondContact O-N 3.46Å; T292-R294 VanDerWaalsContact O-N 3.16Å; R294-F313 HydrophobicContact CB-CD2 4.02Å; R294-F313 HydrophobicContact CB-CE2 4.27Å |
| 295 | R | 94.4 | Very high | 91.8 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 3% | 0.034 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -83.7 | -40.4 | -177.8 | 175.1 | 56.6 | -172.7 | 79.8 | 1.5 | 113.2 | I291 T292 L298 T299 F313 T328 S331 | I291-R295 HydrophobicContact CG2-CB 4.39Å; I291-R295 WeakPolarHBondContact O-CB 3.02Å; I291-R295 PolarHBondContact O-N 3.33Å; T292-R295 PolarHBondContact O-N 3.42Å; R295-L298 WeakPolarHBondContact O-CB 3.32Å; R295-L298 PolarHBondContact O-N 2.84Å; R295-T299 PolarHBondContact NH1-OG1 2.97Å; R295-F313 HydrophobicContact CB-CE2 4.25Å; R295-F313 HydrophobicContact CB-CZ 4.43Å; R295-T328 PolarHBondContact NE-O 3.28Å; R295-T328 PolarHBondContact NH2-O 2.89Å; R295-S331 PolarHBondContact NH2-OG 2.9Å |
| 296 | L | 92.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -59.9 | -46.1 | -178.1 | -74.7 | 175 | 0 | 0 | 0 | 113 | W258 Y261 Y280 T292 L298 T299 | W258-L296 HydrophobicContact CD2-CD2 3.86Å; W258-L296 HydrophobicContact CE3-CD2 3.99Å; W258-L296 HydrophobicContact CG-CD2 4.21Å; W258-L296 HydrophobicContact CZ3-CD2 4.42Å; Y261-L296 HydrophobicContact CD1-CD1 4.49Å; Y261-L296 HydrophobicContact CD2-CD1 3.88Å; Y261-L296 HydrophobicContact CG-CD1 3.84Å; Y280-L296 HydrophobicContact CD1-CB 4.47Å; Y280-L296 HydrophobicContact CE1-CB 3.83Å; Y280-L296 HydrophobicContact CE1-CD1 3.7Å; Y280-L296 HydrophobicContact CE1-CG 4.43Å; T292-L296 HydrophobicContact CG2-CD1 3.52Å; T292-L296 HydrophobicContact CG2-CG 3.93Å; T292-L296 PolarHBondContact O-N 3.11Å; L296-L298 PolarHBondContact O-N 3.17Å; L296-L298 VanDerWaalsContact O-N 3.11Å; L296-T299 WeakPolarHBondContact O-CB 3.44Å; L296-T299 PolarHBondContact O-N 3.05Å; L296-T299 PolarHBondContact O-OG1 3.4Å |
| 297 | P | 93.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -50.6 | -37.3 | 175.5 | -33.8 | 39 | 0 | 0 | 0 | 114.7 | L277 Y280 P293 T299 L300 V301 L309 | L277-P297 HydrophobicContact CD2-CB 3.67Å; L277-P297 HydrophobicContact CD2-CG 4.26Å; Y280-P297 HydrophobicContact CD1-CG 4.35Å; Y280-P297 HydrophobicContact CD2-CG 3.83Å; Y280-P297 HydrophobicContact CG-CG 3.71Å; P293-P297 WeakPolarHBondContact O-CD 3.48Å; P293-P297 WeakPolarHBondContact O-CG 3.37Å; P297-T299 PolarHBondContact O-N 2.84Å; P297-T299 VanDerWaalsContact O-N 3.15Å; P297-L300 PolarHBondContact O-N 3.28Å; P297-V301 WeakPolarHBondContact O-CG2 3.19Å; P297-V301 PolarHBondContact O-N 3.02Å; P297-V301 VanDerWaalsContact O-N 3.11Å; P297-L309 HydrophobicContact CB-CD1 4.16Å |
| 298 | L | 93.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -23.6 | -178.7 | -56.7 | 177.1 | 0 | 0 | 0 | 113 | R295 L296 L300 F306 L309 M310 F313 L329 L332 K338 | R295-L298 WeakPolarHBondContact O-CB 3.32Å; R295-L298 PolarHBondContact O-N 2.84Å; L296-L298 PolarHBondContact O-N 3.17Å; L296-L298 VanDerWaalsContact O-N 3.11Å; L298-L300 VanDerWaalsContact C-N 3.35Å; L298-F306 HydrophobicContact CB-CE2 4.22Å; L298-F306 HydrophobicContact CD2-CE2 4.49Å; L298-F306 WeakPolarHBondContact O-CE2 3.09Å; L298-L309 HydrophobicContact CD2-CB 3.74Å; L298-M310 HydrophobicContact CB-CE 4.37Å; L298-M310 HydrophobicContact CD1-CE 3.81Å; L298-M310 HydrophobicContact CD1-SD 4.26Å; L298-M310 HydrophobicContact CD2-CB 4.37Å; L298-M310 HydrophobicContact CD2-CE 4.19Å; L298-M310 HydrophobicContact CG-CE 4.35Å; L298-F313 HydrophobicContact CD1-CB 4.14Å; L298-F313 HydrophobicContact CD1-CD1 3.93Å; L298-F313 HydrophobicContact CD1-CD2 4.21Å; L298-F313 HydrophobicContact CD1-CE1 4.39Å; L298-F313 HydrophobicContact CD1-CG 3.83Å; L298-L329 HydrophobicContact CD1-CD2 4.11Å; L298-L332 HydrophobicContact CB-CD1 4.13Å; L298-K338 PolarHBondContact O-NZ 3.28Å |
| 299 | T | 91.2 | Very high | 92.1 | Very high | 69 Ų | 69 | 48.3 Ų | 48.3 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.6 | -32.9 | 174.3 | -52.2 | 0 | 0 | 0 | 0 | 111.1 | R295 L296 P297 K338 | R295-T299 PolarHBondContact NH1-OG1 2.97Å; L296-T299 WeakPolarHBondContact O-CB 3.44Å; L296-T299 PolarHBondContact O-N 3.05Å; L296-T299 PolarHBondContact O-OG1 3.4Å; P297-T299 PolarHBondContact O-N 2.84Å; P297-T299 VanDerWaalsContact O-N 3.15Å; T299-K338 PolarHBondContact O-NZ 3.33Å |
| 300 | L | 87.9 | Confident | 92.4 | Very high | 64 Ų | 64 | 38.9 Ų | 38.9 | 34% | 0.335 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -91.8 | -43.3 | -167.9 | -57 | 170.4 | 0 | 0 | 0 | 113.3 | L273 R276 Y280 P297 L298 | L273-L300 HydrophobicContact CD1-CB 3.91Å; R276-L300 HydrophobicContact CG-CD1 4.34Å; Y280-L300 HydrophobicContact CE2-CD1 4.11Å; P297-L300 PolarHBondContact O-N 3.28Å; L298-L300 VanDerWaalsContact C-N 3.35Å |
| 301 | V | 90.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -78 | 139.6 | -171.9 | -62.4 | 0 | 0 | 0 | 0 | 113 | L273 L277 P297 R305 F306 L309 K338 | L273-V301 HydrophobicContact CD1-CG1 4.29Å; L273-V301 HydrophobicContact CD2-CG1 4.21Å; L273-V301 HydrophobicContact CG-CG1 4.47Å; L277-V301 HydrophobicContact CD1-CG1 3.63Å; L277-V301 HydrophobicContact CD2-CG1 3.71Å; L277-V301 HydrophobicContact CG-CG1 4.16Å; P297-V301 WeakPolarHBondContact O-CG2 3.19Å; P297-V301 PolarHBondContact O-N 3.02Å; P297-V301 VanDerWaalsContact O-N 3.11Å; V301-R305 HydrophobicContact CG1-CG 4.35Å; V301-F306 HydrophobicContact CB-CB 4.46Å; V301-F306 HydrophobicContact CG2-CB 3.76Å; V301-F306 HydrophobicContact CG2-CD2 3.98Å; V301-F306 HydrophobicContact CG2-CG 4.38Å; V301-L309 HydrophobicContact CG1-CD1 4.35Å; V301-L309 HydrophobicContact CG2-CD1 4.11Å; V301-K338 WeakPolarHBondContact O-CE 3.36Å; V301-K338 PolarHBondContact O-NZ 2.95Å | ||
| 302 | P | 88.9 | Confident | 92.5 | Very high | 73 Ų | 73 | 43 Ų | 43 | 47% | 0.474 | 21% | 0.212 | S | C | . | . | trans | -103.3 | 173.6 | 167.5 | 37.5 | -32.1 | 0 | 0 | 0 | 113 | F306 | P302-F306 PolarHBondContact O-N 3.47Š| ||
| 303 | G | 89.9 | Confident | 92.6 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | 60.1 | -142.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | R305 F306 R307 | G303-R305 PolarHBondContact O-N 3.2Å; G303-F306 VanDerWaalsContact O-CB 3.31Å; G303-F306 WeakPolarHBondContact O-CB 3.25Å; G303-F306 PolarHBondContact O-N 3.48Å; G303-F306 VanDerWaalsContact O-N 3.16Å; G303-R307 PolarHBondContact O-N 3.24Å |
| 304 | E | 90.3 | Very high | 92.7 | Very high | 121 Ų | 121 | 43 Ų | 43 | 57% | 0.565 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.6 | -35.4 | -175.1 | -71.6 | -55.8 | 134.6 | 0 | 0 | 113.4 | F306 R307 E308 | E304-F306 PolarHBondContact O-N 2.93Å; E304-R307 WeakPolarHBondContact O-CA 3.25Å; E304-R307 VanDerWaalsContact O-CB 3.31Å; E304-R307 WeakPolarHBondContact O-CB 3.31Å; E304-R307 PolarHBondContact O-N 2.94Å; E304-R307 IonicContact OE1-NE 2.69Å; E304-R307 WeakPolarHBondContact OE2-CD 3.47Å; E304-R307 IonicContact OE2-NE 2.8Å; E304-R307 PolarHBondContact OE2-NE 3.47Å; E304-E308 PolarHBondContact O-N 2.87Å |
| 305 | R | 89.6 | Confident | 92.8 | Very high | 98 Ų | 98 | 41.8 Ų | 41.8 | 37% | 0.37 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.5 | -33.4 | 176.5 | -169 | 59.4 | 174.9 | 178 | -3.1 | 111.7 | L277 E281 V301 G303 E308 L309 | L277-R305 HydrophobicContact CD1-CG 4.44Å; E281-R305 IonicContact OE1-NH2 2.78Å; E281-R305 PolarHBondContact OE1-NH2 2.93Å; V301-R305 HydrophobicContact CG1-CG 4.35Å; G303-R305 PolarHBondContact O-N 3.2Å; R305-E308 IonicContact CZ-OE2 2.9Å; R305-E308 IonicContact NH1-OE2 2.77Å; R305-E308 PolarHBondContact NH1-OE2 3.36Å; R305-L309 WeakPolarHBondContact O-CG 3.5Å; R305-L309 PolarHBondContact O-N 3.23Å |
| 306 | F | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 170.5 | 175.5 | -99.7 | 0 | 0 | 0 | 111.6 | L298 V301 P302 G303 E304 E308 L309 M310 L332 K338 I341 I342 | L298-F306 HydrophobicContact CB-CE2 4.22Å; L298-F306 HydrophobicContact CD2-CE2 4.49Å; L298-F306 WeakPolarHBondContact O-CE2 3.09Å; V301-F306 HydrophobicContact CB-CB 4.46Å; V301-F306 HydrophobicContact CG2-CB 3.76Å; V301-F306 HydrophobicContact CG2-CD2 3.98Å; V301-F306 HydrophobicContact CG2-CG 4.38Å; P302-F306 PolarHBondContact O-N 3.47Å; G303-F306 VanDerWaalsContact O-CB 3.31Å; G303-F306 WeakPolarHBondContact O-CB 3.25Å; G303-F306 PolarHBondContact O-N 3.48Å; G303-F306 VanDerWaalsContact O-N 3.16Å; E304-F306 PolarHBondContact O-N 2.93Å; F306-E308 PolarHBondContact O-N 3.35Å; F306-L309 PolarHBondContact O-N 3.11Å; F306-M310 HydrophobicContact CE1-CB 4.37Å; F306-M310 HydrophobicContact CE1-CE 4.25Å; F306-M310 HydrophobicContact CE1-CG 4.49Å; F306-M310 HydrophobicContact CE2-CE 3.56Å; F306-M310 HydrophobicContact CZ-CB 4.41Å; F306-M310 HydrophobicContact CZ-CE 3.33Å; F306-M310 HydrophobicContact CZ-CG 4.41Å; F306-M310 WeakPolarHBondContact O-CB 3.19Å; F306-M310 PolarHBondContact O-N 3.37Å; F306-L332 HydrophobicContact CE2-CD1 4.09Å; F306-L332 HydrophobicContact CZ-CD1 4.23Å; F306-K338 HydrophobicContact CD1-CG 4.22Å; F306-K338 HydrophobicContact CD2-CD 4.14Å; F306-K338 HydrophobicContact CD2-CG 4.38Å; F306-K338 HydrophobicContact CE1-CB 3.8Å; F306-K338 HydrophobicContact CE1-CD 4.47Å; F306-K338 HydrophobicContact CE1-CG 3.89Å; F306-K338 HydrophobicContact CE2-CB 4.43Å; F306-K338 HydrophobicContact CE2-CD 3.74Å; F306-K338 HydrophobicContact CE2-CG 4.06Å; F306-K338 HydrophobicContact CG-CG 4.45Å; F306-K338 HydrophobicContact CZ-CB 3.71Å; F306-K338 HydrophobicContact CZ-CD 3.9Å; F306-K338 HydrophobicContact CZ-CG 3.79Å; F306-I341 HydrophobicContact CD1-CB 4.23Å; F306-I341 HydrophobicContact CD1-CD1 3.9Å; F306-I341 HydrophobicContact CD1-CG2 3.99Å; F306-I341 HydrophobicContact CE1-CB 4.16Å; F306-I341 HydrophobicContact CE1-CG2 4.13Å; F306-I342 HydrophobicContact CE1-CG1 4.23Å; F306-I342 HydrophobicContact CZ-CD1 4.16Å; F306-I342 HydrophobicContact CZ-CG1 4.19Å |
| 307 | R | 95.4 | Very high | 92.8 | Very high | 49 Ų | 49 | 44.8 Ų | 44.8 | 19% | 0.185 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.2 | -49.5 | 177.2 | -174.5 | -173.8 | -70.5 | -90 | -0.4 | 111.3 | G303 E304 M310 D311 I341 E344 L345 | G303-R307 PolarHBondContact O-N 3.24Å; E304-R307 WeakPolarHBondContact O-CA 3.25Å; E304-R307 VanDerWaalsContact O-CB 3.31Å; E304-R307 WeakPolarHBondContact O-CB 3.31Å; E304-R307 PolarHBondContact O-N 2.94Å; E304-R307 IonicContact OE1-NE 2.69Å; E304-R307 WeakPolarHBondContact OE2-CD 3.47Å; E304-R307 IonicContact OE2-NE 2.8Å; E304-R307 PolarHBondContact OE2-NE 3.47Å; R307-M310 PolarHBondContact O-N 3.19Å; R307-D311 VanDerWaalsContact O-CB 3.26Å; R307-D311 WeakPolarHBondContact O-CB 3.33Å; R307-D311 PolarHBondContact O-N 2.77Å; R307-I341 HydrophobicContact CB-CG2 3.85Å; R307-I341 HydrophobicContact CG-CG2 3.99Å; R307-E344 IonicContact CZ-OE1 3.31Å; R307-E344 IonicContact CZ-OE2 3.51Å; R307-E344 IonicContact NH1-OE1 3.67Å; R307-E344 PolarHBondContact NH1-OE1 2.92Å; R307-E344 IonicContact NH1-OE2 3.91Å; R307-E344 PolarHBondContact NH1-OE2 3.42Å; R307-E344 IonicContact NH2-OE1 3.28Å; R307-E344 PolarHBondContact NH2-OE1 3.21Å; R307-E344 IonicContact NH2-OE2 2.81Å; R307-E344 PolarHBondContact NH2-OE2 3.23Å; R307-L345 HydrophobicContact CG-CD1 4.08Å; R307-L345 HydrophobicContact CG-CD2 3.99Å; R307-L345 HydrophobicContact CG-CG 4.29Å |
| 308 | E | 93.8 | Very high | 92.9 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 179.5 | -68.7 | 178.6 | 174.1 | 0 | 0 | 113.3 | E304 R305 F306 K312 | E304-E308 PolarHBondContact O-N 2.87Å; R305-E308 IonicContact CZ-OE2 2.9Å; R305-E308 IonicContact NH1-OE2 2.77Å; R305-E308 PolarHBondContact NH1-OE2 3.36Å; F306-E308 PolarHBondContact O-N 3.35Å; E308-K312 WeakPolarHBondContact O-CG 3.32Å; E308-K312 PolarHBondContact O-N 3.44Å |
| 309 | L | 94.3 | Very high | 92.8 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.4 | -37 | -179.2 | -68.6 | -179.8 | 0 | 0 | 0 | 111.5 | L277 P297 L298 V301 R305 F306 F313 | L277-L309 HydrophobicContact CD2-CD1 4.31Å; P297-L309 HydrophobicContact CB-CD1 4.16Å; L298-L309 HydrophobicContact CD2-CB 3.74Å; V301-L309 HydrophobicContact CG1-CD1 4.35Å; V301-L309 HydrophobicContact CG2-CD1 4.11Å; R305-L309 WeakPolarHBondContact O-CG 3.5Å; R305-L309 PolarHBondContact O-N 3.23Å; F306-L309 PolarHBondContact O-N 3.11Å; L309-F313 WeakPolarHBondContact O-CB 3.27Å; L309-F313 PolarHBondContact O-N 2.91Å |
| 310 | M | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 176.9 | -176.6 | 57 | 72.5 | 0 | 0 | 111.3 | L298 F306 R307 F313 L314 L329 L332 I342 L345 | L298-M310 HydrophobicContact CB-CE 4.37Å; L298-M310 HydrophobicContact CD1-CE 3.81Å; L298-M310 HydrophobicContact CD1-SD 4.26Å; L298-M310 HydrophobicContact CD2-CB 4.37Å; L298-M310 HydrophobicContact CD2-CE 4.19Å; L298-M310 HydrophobicContact CG-CE 4.35Å; F306-M310 HydrophobicContact CE1-CB 4.37Å; F306-M310 HydrophobicContact CE1-CE 4.25Å; F306-M310 HydrophobicContact CE1-CG 4.49Å; F306-M310 HydrophobicContact CE2-CE 3.56Å; F306-M310 HydrophobicContact CZ-CB 4.41Å; F306-M310 HydrophobicContact CZ-CE 3.33Å; F306-M310 HydrophobicContact CZ-CG 4.41Å; F306-M310 WeakPolarHBondContact O-CB 3.19Å; F306-M310 PolarHBondContact O-N 3.37Å; R307-M310 PolarHBondContact O-N 3.19Å; M310-F313 PolarHBondContact O-N 3.27Å; M310-L314 HydrophobicContact CG-CD1 3.69Å; M310-L314 HydrophobicContact CG-CG 4.07Å; M310-L314 WeakPolarHBondContact O-CB 3.48Å; M310-L314 VanDerWaalsContact O-CG 3.27Å; M310-L314 WeakPolarHBondContact O-CG 3.39Å; M310-L314 PolarHBondContact O-N 2.95Å; M310-L314 HydrophobicContact SD-CD1 3.9Å; M310-L314 HydrophobicContact SD-CD2 4.15Å; M310-L314 HydrophobicContact SD-CG 3.72Å; M310-L329 HydrophobicContact CE-CD1 4.26Å; M310-L329 HydrophobicContact CE-CD2 4.11Å; M310-L329 HydrophobicContact SD-CD1 3.89Å; M310-L329 HydrophobicContact SD-CD2 4.45Å; M310-L332 HydrophobicContact CE-CD1 3.55Å; M310-I342 HydrophobicContact CE-CD1 4.01Å; M310-I342 HydrophobicContact CE-CG1 4.09Å; M310-I342 HydrophobicContact CG-CG1 4.11Å; M310-I342 HydrophobicContact SD-CG1 4.35Å; M310-L345 HydrophobicContact CB-CD1 4.29Å; M310-L345 HydrophobicContact CG-CD1 4.15Å |
| 311 | D | 95.3 | Very high | 93.2 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 20% | 0.198 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.7 | -54.1 | 176.1 | 169 | 94.6 | 0 | 0 | 0 | 111 | R307 F313 L314 R315 L345 Y349 | R307-D311 VanDerWaalsContact O-CB 3.26Å; R307-D311 WeakPolarHBondContact O-CB 3.33Å; R307-D311 PolarHBondContact O-N 2.77Å; D311-F313 VanDerWaalsContact C-N 3.3Å; D311-F313 PolarHBondContact O-N 2.92Å; D311-L314 PolarHBondContact O-N 3.46Å; D311-R315 WeakPolarHBondContact O-CD 3.39Å; D311-R315 VanDerWaalsContact O-CG 3.27Å; D311-R315 WeakPolarHBondContact O-CG 3.49Å; D311-R315 PolarHBondContact O-N 3.48Å; D311-R315 IonicContact OD1-CZ 2.71Å; D311-R315 IonicContact OD1-NE 3.02Å; D311-R315 PolarHBondContact OD1-NE 2.74Å; D311-R315 IonicContact OD1-NH2 2.78Å; D311-R315 PolarHBondContact OD1-NH2 3.16Å; D311-R315 VanDerWaalsContact OD2-CD 3.29Å; D311-R315 WeakPolarHBondContact OD2-CD 3.46Å; D311-R315 IonicContact OD2-CZ 3.78Å; D311-R315 IonicContact OD2-NE 3.63Å; D311-R315 PolarHBondContact OD2-NE 3.5Å; D311-L345 HydrophobicContact CB-CD1 4.4Å; D311-L345 HydrophobicContact CB-CD2 4.44Å; D311-Y349 VanDerWaalsContact CA-OH 3.31Å; D311-Y349 WeakPolarHBondContact CA-OH 3.32Å; D311-Y349 WeakPolarHBondContact CB-OH 3.45Å; D311-Y349 PolarHBondContact OD1-OH 3.16Å |
| 312 | K | 93.2 | Very high | 93.2 | Very high | 124 Ų | 124 | 50.4 Ų | 50.4 | 54% | 0.539 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.4 | -42.7 | 175.6 | -69.6 | 174.4 | -176.8 | 174.9 | 0 | 112.5 | E308 V316 | E308-K312 WeakPolarHBondContact O-CG 3.32Å; E308-K312 PolarHBondContact O-N 3.44Å; K312-V316 WeakPolarHBondContact O-CG2 3.27Å |
| 313 | F | 94.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.044 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.2 | -44 | -179.5 | -174 | -95.9 | 0 | 0 | 0 | 112.1 | I291 R294 R295 L298 L309 M310 D311 N317 L325 L329 | I291-F313 HydrophobicContact CG2-CE2 4.18Å; I291-F313 HydrophobicContact CG2-CZ 4.3Å; R294-F313 HydrophobicContact CB-CD2 4.02Å; R294-F313 HydrophobicContact CB-CE2 4.27Å; R295-F313 HydrophobicContact CB-CE2 4.25Å; R295-F313 HydrophobicContact CB-CZ 4.43Å; L298-F313 HydrophobicContact CD1-CB 4.14Å; L298-F313 HydrophobicContact CD1-CD1 3.93Å; L298-F313 HydrophobicContact CD1-CD2 4.21Å; L298-F313 HydrophobicContact CD1-CE1 4.39Å; L298-F313 HydrophobicContact CD1-CG 3.83Å; L309-F313 WeakPolarHBondContact O-CB 3.27Å; L309-F313 PolarHBondContact O-N 2.91Å; M310-F313 PolarHBondContact O-N 3.27Å; D311-F313 VanDerWaalsContact C-N 3.3Å; D311-F313 PolarHBondContact O-N 2.92Å; F313-N317 WeakPolarHBondContact CE1-ND2 3.3Å; F313-N317 PolarHBondContact O-N 3.37Å; F313-N317 PolarHBondContact O-ND2 3.37Å; F313-L325 HydrophobicContact CD1-CD1 4.23Å; F313-L325 HydrophobicContact CE1-CD1 3.64Å; F313-L329 HydrophobicContact CD1-CD2 4.24Å; F313-L329 HydrophobicContact CE1-CD2 3.84Å; F313-L329 HydrophobicContact CE1-CG 4.39Å |
| 314 | L | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.6 | -47.8 | -177.9 | -73.9 | 174.2 | 0 | 0 | 0 | 111.8 | M310 D311 V316 N317 F318 L325 L329 V346 Y349 F379 | M310-L314 HydrophobicContact CG-CD1 3.69Å; M310-L314 HydrophobicContact CG-CG 4.07Å; M310-L314 WeakPolarHBondContact O-CB 3.48Å; M310-L314 VanDerWaalsContact O-CG 3.27Å; M310-L314 WeakPolarHBondContact O-CG 3.39Å; M310-L314 PolarHBondContact O-N 2.95Å; M310-L314 HydrophobicContact SD-CD1 3.9Å; M310-L314 HydrophobicContact SD-CD2 4.15Å; M310-L314 HydrophobicContact SD-CG 3.72Å; D311-L314 PolarHBondContact O-N 3.46Å; L314-V316 PolarHBondContact O-N 2.96Å; L314-N317 PolarHBondContact O-N 3.04Å; L314-F318 HydrophobicContact CB-CD2 3.98Å; L314-F318 HydrophobicContact CB-CE2 3.75Å; L314-F318 HydrophobicContact CD1-CE2 4.46Å; L314-F318 HydrophobicContact CD2-CE2 3.94Å; L314-F318 HydrophobicContact CD2-CZ 4.1Å; L314-F318 HydrophobicContact CG-CE2 4.26Å; L314-F318 VanDerWaalsContact O-CD2 3.24Å; L314-F318 WeakPolarHBondContact O-CD2 3.24Å; L314-F318 WeakPolarHBondContact O-CG 3.5Å; L314-F318 PolarHBondContact O-N 3.23Å; L314-L325 HydrophobicContact CD2-CD1 4.34Å; L314-L325 HydrophobicContact CD2-CD2 3.96Å; L314-L325 HydrophobicContact CD2-CG 4.4Å; L314-L329 HydrophobicContact CD2-CD1 3.76Å; L314-V346 HydrophobicContact CD1-CG2 3.79Å; L314-Y349 HydrophobicContact CB-CE2 4.1Å; L314-Y349 HydrophobicContact CD1-CE2 4.18Å; L314-F379 HydrophobicContact CD2-CE2 4.43Å; L314-F379 HydrophobicContact CD2-CZ 4.47Å |
| 315 | R | 93.7 | Very high | 93.7 | Very high | 48 Ų | 48 | 45.6 Ų | 45.6 | 18% | 0.181 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.6 | -53.4 | -179.1 | -72.3 | 163.1 | 172.7 | -90.2 | 3.4 | 112.1 | D311 N317 F318 S319 F359 E363 | D311-R315 WeakPolarHBondContact O-CD 3.39Å; D311-R315 VanDerWaalsContact O-CG 3.27Å; D311-R315 WeakPolarHBondContact O-CG 3.49Å; D311-R315 PolarHBondContact O-N 3.48Å; D311-R315 IonicContact OD1-CZ 2.71Å; D311-R315 IonicContact OD1-NE 3.02Å; D311-R315 PolarHBondContact OD1-NE 2.74Å; D311-R315 IonicContact OD1-NH2 2.78Å; D311-R315 PolarHBondContact OD1-NH2 3.16Å; D311-R315 VanDerWaalsContact OD2-CD 3.29Å; D311-R315 WeakPolarHBondContact OD2-CD 3.46Å; D311-R315 IonicContact OD2-CZ 3.78Å; D311-R315 IonicContact OD2-NE 3.63Å; D311-R315 PolarHBondContact OD2-NE 3.5Å; R315-N317 VanDerWaalsContact C-N 3.27Å; R315-N317 PolarHBondContact O-N 3.46Å; R315-F318 PolarHBondContact O-N 3.32Å; R315-S319 PolarHBondContact O-N 2.69Å; R315-S319 PolarHBondContact O-OG 2.93Å; R315-S319 VanDerWaalsContact O-OG 3.07Å; R315-F359 HydrophobicContact CB-CD2 4.47Å; R315-F359 HydrophobicContact CB-CE2 4.13Å; R315-F359 HydrophobicContact CB-CZ 4.26Å; R315-F359 HydrophobicContact CG-CD1 4.21Å; R315-F359 HydrophobicContact CG-CD2 4.07Å; R315-F359 HydrophobicContact CG-CE1 4.33Å; R315-F359 HydrophobicContact CG-CE2 4.17Å; R315-F359 HydrophobicContact CG-CG 4.09Å; R315-F359 HydrophobicContact CG-CZ 4.31Å; R315-E363 IonicContact CZ-OE1 2.95Å; R315-E363 VanDerWaalsContact NH1-CD 3.3Å; R315-E363 IonicContact NH1-OE1 3.08Å; R315-E363 PolarHBondContact NH1-OE1 3.17Å; R315-E363 IonicContact NH1-OE2 2.81Å; R315-E363 PolarHBondContact NH1-OE2 3.49Å; R315-E363 IonicContact NH2-OE1 2.69Å; R315-E363 PolarHBondContact NH2-OE1 3.28Å |
| 316 | V | 92.4 | Very high | 94 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 46% | 0.461 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.7 | -39.6 | 178.9 | 175.3 | 0 | 0 | 0 | 0 | 112 | K312 L314 K320 | K312-V316 WeakPolarHBondContact O-CG2 3.27Å; L314-V316 PolarHBondContact O-N 2.96Å; V316-K320 VanDerWaalsContact O-CB 3.22Å; V316-K320 WeakPolarHBondContact O-CB 3.44Å; V316-K320 PolarHBondContact O-N 3.42Å |
| 317 | N | 94.2 | Very high | 93.9 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -79.1 | -29.8 | -178.1 | -75.7 | -69.6 | 0 | 0 | 0 | 113.3 | F313 L314 R315 G321 C322 L325 | F313-N317 WeakPolarHBondContact CE1-ND2 3.3Å; F313-N317 PolarHBondContact O-N 3.37Å; F313-N317 PolarHBondContact O-ND2 3.37Å; L314-N317 PolarHBondContact O-N 3.04Å; R315-N317 VanDerWaalsContact C-N 3.27Å; R315-N317 PolarHBondContact O-N 3.46Å; N317-G321 PolarHBondContact O-N 2.83Å; N317-C322 HydrophobicContact CB-CB 4.38Å; N317-C322 PolarHBondContact O-N 2.97Å; N317-C322 VanDerWaalsContact O-N 3.08Å; N317-L325 HydrophobicContact CB-CD1 3.77Å; N317-L325 HydrophobicContact CB-CD2 3.8Å; N317-L325 HydrophobicContact CB-CG 4.27Å |
| 318 | F | 95.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73 | -47.7 | 175 | -73 | -46.4 | 0 | 0 | 0 | 111.5 | L314 R315 K320 G321 L325 V346 Y349 F359 T372 W375 V376 F379 | L314-F318 HydrophobicContact CB-CD2 3.98Å; L314-F318 HydrophobicContact CB-CE2 3.75Å; L314-F318 HydrophobicContact CD1-CE2 4.46Å; L314-F318 HydrophobicContact CD2-CE2 3.94Å; L314-F318 HydrophobicContact CD2-CZ 4.1Å; L314-F318 HydrophobicContact CG-CE2 4.26Å; L314-F318 VanDerWaalsContact O-CD2 3.24Å; L314-F318 WeakPolarHBondContact O-CD2 3.24Å; L314-F318 WeakPolarHBondContact O-CG 3.5Å; L314-F318 PolarHBondContact O-N 3.23Å; R315-F318 PolarHBondContact O-N 3.32Å; F318-K320 VanDerWaalsContact C-N 3.27Å; F318-K320 PolarHBondContact O-N 2.89Å; F318-G321 PolarHBondContact O-N 2.98Å; F318-L325 HydrophobicContact CD1-CD2 3.84Å; F318-L325 HydrophobicContact CE1-CD2 3.52Å; F318-L325 HydrophobicContact CE2-CD2 4.48Å; F318-L325 HydrophobicContact CG-CD2 4.43Å; F318-L325 HydrophobicContact CZ-CD2 3.88Å; F318-V346 HydrophobicContact CE2-CG1 4.41Å; F318-V346 HydrophobicContact CE2-CG2 4.19Å; F318-V346 HydrophobicContact CZ-CG1 4.13Å; F318-V346 HydrophobicContact CZ-CG2 4.24Å; F318-Y349 HydrophobicContact CD2-CD2 4.24Å; F318-Y349 HydrophobicContact CD2-CE2 4.47Å; F318-Y349 HydrophobicContact CE2-CD2 4.02Å; F318-Y349 HydrophobicContact CE2-CE2 4.23Å; F318-F359 HydrophobicContact CB-CE1 4Å; F318-F359 HydrophobicContact CB-CZ 3.89Å; F318-F359 HydrophobicContact CD2-CE1 4.15Å; F318-T372 HydrophobicContact CB-CG2 4.11Å; F318-W375 HydrophobicContact CD1-CB 4.03Å; F318-V376 HydrophobicContact CB-CG2 4.31Å; F318-V376 HydrophobicContact CD1-CG2 3.91Å; F318-V376 HydrophobicContact CD2-CG2 3.83Å; F318-V376 HydrophobicContact CE1-CG2 4.12Å; F318-V376 HydrophobicContact CE2-CG2 4.03Å; F318-V376 HydrophobicContact CG-CG2 3.78Å; F318-V376 HydrophobicContact CZ-CG2 4.18Å; F318-F379 HydrophobicContact CE1-CB 3.68Å; F318-F379 HydrophobicContact CE1-CD2 4.25Å; F318-F379 HydrophobicContact CE1-CG 4.05Å; F318-F379 HydrophobicContact CZ-CB 3.92Å; F318-F379 HydrophobicContact CZ-CD1 4.28Å; F318-F379 HydrophobicContact CZ-CD2 4.18Å; F318-F379 AromaticContact CZ-CG 3.88Å; F318-F379 HydrophobicContact CZ-CG 3.88Å |
| 319 | S | 93.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -37.8 | 176.1 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | R315 G321 F359 E368 | R315-S319 PolarHBondContact O-N 2.69Å; R315-S319 PolarHBondContact O-OG 2.93Å; R315-S319 VanDerWaalsContact O-OG 3.07Å; S319-G321 VanDerWaalsContact C-N 3.32Å; S319-F359 WeakPolarHBondContact OG-CE2 3.46Å; S319-E368 WeakPolarHBondContact CB-OE2 3.45Å; S319-E368 PolarHBondContact OG-OE1 3.25Å; S319-E368 PolarHBondContact OG-OE2 3.1Å |
| 320 | K | 93.1 | Very high | 93.9 | Very high | 168 Ų | 168 | 45.2 Ų | 45.2 | 73% | 0.73 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -72 | -24.9 | 174.9 | -173.4 | 175.8 | 178.9 | -175.3 | 0 | 113.3 | V316 F318 | V316-K320 VanDerWaalsContact O-CB 3.22Å; V316-K320 WeakPolarHBondContact O-CB 3.44Å; V316-K320 PolarHBondContact O-N 3.42Å; F318-K320 VanDerWaalsContact C-N 3.27Å; F318-K320 PolarHBondContact O-N 2.89Å |
| 321 | G | 93.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 55.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N317 F318 S319 P323 | N317-G321 PolarHBondContact O-N 2.83Å; F318-G321 PolarHBondContact O-N 2.98Å; S319-G321 VanDerWaalsContact C-N 3.32Å; G321-P323 VanDerWaalsContact O-CD 3.3Å; G321-P323 WeakPolarHBondContact O-CD 3.26Å |
| 322 | C | 91 | Very high | 93.7 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 22% | 0.216 | 25% | 0.254 | C | S | . | . | trans | -86.4 | 110.2 | -177.8 | -170.7 | 0 | 0 | 0 | 0 | 112.1 | N317 P324 L325 | N317-C322 HydrophobicContact CB-CB 4.38Å; N317-C322 PolarHBondContact O-N 2.97Å; N317-C322 VanDerWaalsContact O-N 3.08Å; C322-P324 VanDerWaalsContact SG-CD 3.6Å; C322-L325 WeakPolarHBondContact O-CB 3.17Å; C322-L325 PolarHBondContact O-N 3.43Å | ||
| 323 | P | 90.1 | Very high | 93.7 | Very high | 45 Ų | 45 | 42 Ų | 42 | 29% | 0.292 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -38.9 | -178 | -17.3 | 26.8 | 0 | 0 | 0 | 116.1 | G321 L325 W375 E409 | G321-P323 VanDerWaalsContact O-CD 3.3Å; G321-P323 WeakPolarHBondContact O-CD 3.26Å; P323-L325 VanDerWaalsContact C-N 3.25Å; P323-L325 PolarHBondContact O-N 3.47Å; P323-W375 HydrophobicContact CB-CH2 3.91Å; P323-W375 HydrophobicContact CB-CZ3 3.87Å; P323-W375 HydrophobicContact CG-CH2 3.59Å; P323-W375 HydrophobicContact CG-CZ2 4.3Å; P323-W375 HydrophobicContact CG-CZ3 4.04Å; P323-E409 HydrophobicContact CB-CG 4.35Å |
| 324 | P | 93.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 7.4 | -176.2 | 32.1 | -36.8 | 0 | 0 | 0 | 114.6 | C322 F326 T327 T328 | C322-P324 VanDerWaalsContact SG-CD 3.6Å; P324-F326 VanDerWaalsContact C-N 3.34Å; P324-F326 PolarHBondContact O-N 3.39Å; P324-T327 WeakPolarHBondContact O-CA 3.48Å; P324-T327 VanDerWaalsContact O-CB 3.3Å; P324-T327 WeakPolarHBondContact O-CB 3.42Å; P324-T327 PolarHBondContact O-N 3.26Å; P324-T328 WeakPolarHBondContact O-CG2 3.37Å; P324-T328 PolarHBondContact O-N 2.89Å |
| 325 | L | 94.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -50.8 | -47.2 | -175 | 176.4 | 59 | 0 | 0 | 0 | 113.4 | F313 L314 N317 F318 C322 P323 T327 T328 L329 F379 | F313-L325 HydrophobicContact CD1-CD1 4.23Å; F313-L325 HydrophobicContact CE1-CD1 3.64Å; L314-L325 HydrophobicContact CD2-CD1 4.34Å; L314-L325 HydrophobicContact CD2-CD2 3.96Å; L314-L325 HydrophobicContact CD2-CG 4.4Å; N317-L325 HydrophobicContact CB-CD1 3.77Å; N317-L325 HydrophobicContact CB-CD2 3.8Å; N317-L325 HydrophobicContact CB-CG 4.27Å; F318-L325 HydrophobicContact CD1-CD2 3.84Å; F318-L325 HydrophobicContact CE1-CD2 3.52Å; F318-L325 HydrophobicContact CE2-CD2 4.48Å; F318-L325 HydrophobicContact CG-CD2 4.43Å; F318-L325 HydrophobicContact CZ-CD2 3.88Å; C322-L325 WeakPolarHBondContact O-CB 3.17Å; C322-L325 PolarHBondContact O-N 3.43Å; P323-L325 VanDerWaalsContact C-N 3.25Å; P323-L325 PolarHBondContact O-N 3.47Å; L325-T327 VanDerWaalsContact C-N 3.28Å; L325-T327 PolarHBondContact O-N 3.5Å; L325-T328 PolarHBondContact O-N 3.35Å; L325-T328 PolarHBondContact O-OG1 3.43Å; L325-L329 HydrophobicContact CD1-CD1 4.17Å; L325-L329 HydrophobicContact CD1-CG 4.4Å; L325-L329 PolarHBondContact O-N 2.93Å; L325-F379 HydrophobicContact CD2-CD2 4.04Å; L325-F379 HydrophobicContact CD2-CE2 4.33Å; L325-F379 HydrophobicContact CG-CD2 4.02Å; L325-F379 HydrophobicContact CG-CE2 4.02Å |
| 326 | F | 95.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 176 | -179 | -90.8 | 0 | 0 | 0 | 112.7 | P324 T328 L329 K330 Y333 F379 Q382 H383 K386 | P324-F326 VanDerWaalsContact C-N 3.34Å; P324-F326 PolarHBondContact O-N 3.39Å; F326-T328 VanDerWaalsContact C-N 3.31Å; F326-T328 PolarHBondContact O-N 2.89Å; F326-L329 CarbonylContact O-C 3.06Å; F326-L329 PolarHBondContact O-N 3.36Å; F326-K330 PolarHBondContact O-N 3.42Å; F326-Y333 HydrophobicContact CD2-CE2 4.46Å; F326-Y333 AromaticContact CE2-CE1 3.82Å; F326-Y333 HydrophobicContact CE2-CE1 3.82Å; F326-Y333 AromaticContact CE2-CE2 3.89Å; F326-Y333 HydrophobicContact CE2-CE2 3.89Å; F326-Y333 AromaticContact CE2-CZ 3.39Å; F326-Y333 VanDerWaalsContact CE2-OH 3.27Å; F326-Y333 WeakPolarHBondContact CE2-OH 3.49Å; F326-Y333 HydrophobicContact CZ-CE1 4.15Å; F326-Y333 HydrophobicContact CZ-CE2 4.36Å; F326-F379 HydrophobicContact CB-CD2 3.95Å; F326-F379 HydrophobicContact CB-CE2 4.02Å; F326-F379 HydrophobicContact CD2-CD2 4.32Å; F326-F379 HydrophobicContact CD2-CE2 4.04Å; F326-F379 HydrophobicContact CD2-CZ 4.19Å; F326-Q382 HydrophobicContact CB-CB 4.05Å; F326-Q382 HydrophobicContact CB-CG 4.44Å; F326-Q382 HydrophobicContact CD1-CB 3.87Å; F326-Q382 HydrophobicContact CD1-CG 4.5Å; F326-Q382 HydrophobicContact CD2-CB 3.57Å; F326-Q382 HydrophobicContact CE1-CB 4.24Å; F326-Q382 HydrophobicContact CE2-CB 3.95Å; F326-Q382 HydrophobicContact CG-CB 3.53Å; F326-Q382 HydrophobicContact CG-CG 4.31Å; F326-Q382 HydrophobicContact CZ-CB 4.27Å; F326-Q382 WeakPolarHBondContact CZ-O 3.45Å; F326-H383 HydrophobicContact CE2-CB 4.32Å; F326-K386 HydrophobicContact CE2-CB 4.45Å; F326-K386 HydrophobicContact CZ-CB 3.66Å; F326-K386 HydrophobicContact CZ-CG 3.97Å |
| 327 | T | 93.9 | Very high | 93.2 | Very high | 90 Ų | 90 | 59 Ų | 59 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.2 | -37.3 | 179.5 | -58.1 | 0 | 0 | 0 | 0 | 111 | P324 L325 L329 K330 | P324-T327 WeakPolarHBondContact O-CA 3.48Å; P324-T327 VanDerWaalsContact O-CB 3.3Å; P324-T327 WeakPolarHBondContact O-CB 3.42Å; P324-T327 PolarHBondContact O-N 3.26Å; L325-T327 VanDerWaalsContact C-N 3.28Å; L325-T327 PolarHBondContact O-N 3.5Å; T327-L329 VanDerWaalsContact C-N 3.32Å; T327-L329 PolarHBondContact O-N 3.27Å; T327-K330 WeakPolarHBondContact O-CB 3.49Å; T327-K330 PolarHBondContact O-N 3.09Å |
| 328 | T | 93.4 | Very high | 93.2 | Very high | 53 Ų | 53 | 58.8 Ų | 58.8 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 176 | 72.1 | 0 | 0 | 0 | 0 | 112 | R295 P324 L325 F326 | R295-T328 PolarHBondContact NE-O 3.28Å; R295-T328 PolarHBondContact NH2-O 2.89Å; P324-T328 WeakPolarHBondContact O-CG2 3.37Å; P324-T328 PolarHBondContact O-N 2.89Å; L325-T328 PolarHBondContact O-N 3.35Å; L325-T328 PolarHBondContact O-OG1 3.43Å; F326-T328 VanDerWaalsContact C-N 3.31Å; F326-T328 PolarHBondContact O-N 2.89Å |
| 329 | L | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -89.6 | -6.7 | -179.5 | -60 | -175.1 | 0 | 0 | 0 | 113.8 | L298 M310 F313 L314 L325 F326 T327 S331 L332 Y333 F379 | L298-L329 HydrophobicContact CD1-CD2 4.11Å; M310-L329 HydrophobicContact CE-CD1 4.26Å; M310-L329 HydrophobicContact CE-CD2 4.11Å; M310-L329 HydrophobicContact SD-CD1 3.89Å; M310-L329 HydrophobicContact SD-CD2 4.45Å; F313-L329 HydrophobicContact CD1-CD2 4.24Å; F313-L329 HydrophobicContact CE1-CD2 3.84Å; F313-L329 HydrophobicContact CE1-CG 4.39Å; L314-L329 HydrophobicContact CD2-CD1 3.76Å; L325-L329 HydrophobicContact CD1-CD1 4.17Å; L325-L329 HydrophobicContact CD1-CG 4.4Å; L325-L329 PolarHBondContact O-N 2.93Å; F326-L329 CarbonylContact O-C 3.06Å; F326-L329 PolarHBondContact O-N 3.36Å; T327-L329 VanDerWaalsContact C-N 3.32Å; T327-L329 PolarHBondContact O-N 3.27Å; L329-S331 PolarHBondContact O-N 3.48Å; L329-S331 VanDerWaalsContact O-N 3.08Å; L329-L332 HydrophobicContact CB-CD1 4.43Å; L329-L332 HydrophobicContact CD2-CD1 3.89Å; L329-L332 VanDerWaalsContact O-CB 3.29Å; L329-L332 WeakPolarHBondContact O-CB 3.37Å; L329-L332 PolarHBondContact O-N 3.38Å; L329-Y333 WeakPolarHBondContact O-CD2 3.27Å; L329-F379 HydrophobicContact CD1-CE2 4.04Å; L329-F379 HydrophobicContact CD1-CZ 4.12Å |
| 330 | K | 93.7 | Very high | 93.3 | Very high | 113 Ų | 113 | 60.6 Ų | 60.6 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -54.8 | -32.3 | -175.6 | -172.6 | -177.6 | 176.4 | -170.1 | 0 | 114.1 | F326 T327 L332 Y333 | F326-K330 PolarHBondContact O-N 3.42Å; T327-K330 WeakPolarHBondContact O-CB 3.49Å; T327-K330 PolarHBondContact O-N 3.09Å; K330-L332 PolarHBondContact O-N 3.24Å; K330-Y333 WeakPolarHBondContact O-CB 3.35Å; K330-Y333 PolarHBondContact O-N 3.36Å |
| 331 | S | 93.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 42% | 0.42 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -68.6 | -20 | 177.6 | 74.4 | 0 | 0 | 0 | 0 | 113.2 | R295 L329 Y333 Y334 | R295-S331 PolarHBondContact NH2-OG 2.9Å; L329-S331 PolarHBondContact O-N 3.48Å; L329-S331 VanDerWaalsContact O-N 3.08Å; S331-Y333 VanDerWaalsContact C-N 3.28Å; S331-Y333 PolarHBondContact O-N 3.31Å; S331-Y334 VanDerWaalsContact O-CD2 3.27Å; S331-Y334 WeakPolarHBondContact O-CD2 3.44Å |
| 332 | L | 93.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -76.8 | -17.7 | 176.9 | -53.9 | 179.8 | 0 | 0 | 0 | 112.3 | L298 F306 M310 L329 K330 Y334 N335 K338 | L298-L332 HydrophobicContact CB-CD1 4.13Å; F306-L332 HydrophobicContact CE2-CD1 4.09Å; F306-L332 HydrophobicContact CZ-CD1 4.23Å; M310-L332 HydrophobicContact CE-CD1 3.55Å; L329-L332 HydrophobicContact CB-CD1 4.43Å; L329-L332 HydrophobicContact CD2-CD1 3.89Å; L329-L332 VanDerWaalsContact O-CB 3.29Å; L329-L332 WeakPolarHBondContact O-CB 3.37Å; L329-L332 PolarHBondContact O-N 3.38Å; K330-L332 PolarHBondContact O-N 3.24Å; L332-Y334 PolarHBondContact O-N 2.92Å; L332-Y334 VanDerWaalsContact O-N 3.12Å; L332-N335 PolarHBondContact O-N 2.87Å; L332-N335 VanDerWaalsContact O-N 3.08Å; L332-K338 HydrophobicContact CD2-CD 4.45Å |
| 333 | Y | 93.1 | Very high | 93.9 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -73 | 0.2 | -178.5 | -77.9 | -112.7 | 0 | 0 | 0 | 114.2 | F326 L329 K330 S331 N335 V339 I342 H383 K386 | F326-Y333 HydrophobicContact CD2-CE2 4.46Å; F326-Y333 AromaticContact CE2-CE1 3.82Å; F326-Y333 HydrophobicContact CE2-CE1 3.82Å; F326-Y333 AromaticContact CE2-CE2 3.89Å; F326-Y333 HydrophobicContact CE2-CE2 3.89Å; F326-Y333 AromaticContact CE2-CZ 3.39Å; F326-Y333 VanDerWaalsContact CE2-OH 3.27Å; F326-Y333 WeakPolarHBondContact CE2-OH 3.49Å; F326-Y333 HydrophobicContact CZ-CE1 4.15Å; F326-Y333 HydrophobicContact CZ-CE2 4.36Å; L329-Y333 WeakPolarHBondContact O-CD2 3.27Å; K330-Y333 WeakPolarHBondContact O-CB 3.35Å; K330-Y333 PolarHBondContact O-N 3.36Å; S331-Y333 VanDerWaalsContact C-N 3.28Å; S331-Y333 PolarHBondContact O-N 3.31Å; Y333-N335 VanDerWaalsContact C-N 3.32Å; Y333-V339 HydrophobicContact CD1-CG1 4.29Å; Y333-V339 HydrophobicContact CD1-CG2 3.81Å; Y333-V339 HydrophobicContact CE1-CG1 4.27Å; Y333-V339 HydrophobicContact CE1-CG2 4.36Å; Y333-V339 HydrophobicContact CG-CG2 3.9Å; Y333-I342 HydrophobicContact CE2-CD1 4.44Å; Y333-H383 AromaticContact CE1-ND1 3.42Å; Y333-H383 WeakPolarHBondContact CE1-ND1 3.37Å; Y333-H383 AromaticContact CZ-ND1 3.52Å; Y333-H383 PolarHBondContact OH-ND1 3.2Å; Y333-K386 HydrophobicContact CD1-CB 4.36Å; Y333-K386 HydrophobicContact CD1-CG 3.62Å; Y333-K386 HydrophobicContact CE1-CB 4.43Å; Y333-K386 HydrophobicContact CE1-CG 4.15Å; Y333-K386 HydrophobicContact CG-CG 4.27Å |
| 334 | Y | 89.6 | Confident | 94.2 | Very high | 207 Ų | 207 | 55.7 Ų | 55.7 | 81% | 0.812 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -77.4 | -19.7 | 167.4 | -66.7 | -66.2 | 0 | 0 | 0 | 112.6 | S331 L332 | S331-Y334 VanDerWaalsContact O-CD2 3.27Å; S331-Y334 WeakPolarHBondContact O-CD2 3.44Å; L332-Y334 PolarHBondContact O-N 2.92Å; L332-Y334 VanDerWaalsContact O-N 3.12Å |
| 335 | N | 92.3 | Very high | 94.3 | Very high | 63 Ų | 63 | 53.2 Ų | 53.2 | 34% | 0.337 | 28% | 0.275 | S | S | . | . | trans | -105.1 | 115.5 | 177.9 | -177 | -30.5 | 0 | 0 | 0 | 110.2 | L332 Y333 E337 K338 V339 | L332-N335 PolarHBondContact O-N 2.87Å; L332-N335 VanDerWaalsContact O-N 3.08Å; Y333-N335 VanDerWaalsContact C-N 3.32Å; N335-E337 VanDerWaalsContact C-N 3.34Å; N335-E337 PolarHBondContact O-N 3.36Å; N335-E337 VanDerWaalsContact OD1-CB 3.32Å; N335-E337 WeakPolarHBondContact OD1-CB 3.47Å; N335-E337 PolarHBondContact OD1-N 3.3Å; N335-K338 HydrophobicContact CB-CB 4.3Å; N335-K338 HydrophobicContact CB-CD 4.3Å; N335-K338 HydrophobicContact CB-CG 4.24Å; N335-K338 PolarHBondContact O-N 2.9Å; N335-K338 PolarHBondContact OD1-N 3.05Å; N335-V339 VanDerWaalsContact O-CG2 3.3Å; N335-V339 WeakPolarHBondContact O-CG2 3.22Å; N335-V339 PolarHBondContact O-N 3.03Å | ||
| 336 | T | 90.8 | Very high | 94.4 | Very high | 124 Ų | 124 | 53 Ų | 53 | 76% | 0.761 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.3 | -33.7 | -177.1 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | V339 S340 | T336-V339 PolarHBondContact O-N 3.49Å; T336-S340 PolarHBondContact O-N 2.91Å |
| 337 | E | 93.3 | Very high | 94.4 | Very high | 96 Ų | 96 | 54.5 Ų | 54.5 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 177.7 | -172.6 | -167.1 | 158.5 | 0 | 0 | 110.6 | N335 V339 S340 I341 | N335-E337 VanDerWaalsContact C-N 3.34Å; N335-E337 PolarHBondContact O-N 3.36Å; N335-E337 VanDerWaalsContact OD1-CB 3.32Å; N335-E337 WeakPolarHBondContact OD1-CB 3.47Å; N335-E337 PolarHBondContact OD1-N 3.3Å; E337-V339 VanDerWaalsContact C-N 3.28Å; E337-V339 PolarHBondContact O-N 3Å; E337-S340 WeakPolarHBondContact O-CB 3.49Å; E337-S340 PolarHBondContact O-N 3.37Å; E337-S340 VanDerWaalsContact O-N 3.15Å; E337-I341 HydrophobicContact CG-CD1 4.47Å; E337-I341 WeakPolarHBondContact O-CG1 3.08Å; E337-I341 PolarHBondContact O-N 3.49Å; E337-I341 VanDerWaalsContact O-N 3.08Å |
| 338 | K | 94.6 | Very high | 94.4 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 177.3 | -68.7 | -171.9 | 175.8 | -167.3 | 0 | 111.9 | L298 T299 V301 F306 L332 N335 I341 I342 | L298-K338 PolarHBondContact O-NZ 3.28Å; T299-K338 PolarHBondContact O-NZ 3.33Å; V301-K338 WeakPolarHBondContact O-CE 3.36Å; V301-K338 PolarHBondContact O-NZ 2.95Å; F306-K338 HydrophobicContact CD1-CG 4.22Å; F306-K338 HydrophobicContact CD2-CD 4.14Å; F306-K338 HydrophobicContact CD2-CG 4.38Å; F306-K338 HydrophobicContact CE1-CB 3.8Å; F306-K338 HydrophobicContact CE1-CD 4.47Å; F306-K338 HydrophobicContact CE1-CG 3.89Å; F306-K338 HydrophobicContact CE2-CB 4.43Å; F306-K338 HydrophobicContact CE2-CD 3.74Å; F306-K338 HydrophobicContact CE2-CG 4.06Å; F306-K338 HydrophobicContact CG-CG 4.45Å; F306-K338 HydrophobicContact CZ-CB 3.71Å; F306-K338 HydrophobicContact CZ-CD 3.9Å; F306-K338 HydrophobicContact CZ-CG 3.79Å; L332-K338 HydrophobicContact CD2-CD 4.45Å; N335-K338 HydrophobicContact CB-CB 4.3Å; N335-K338 HydrophobicContact CB-CD 4.3Å; N335-K338 HydrophobicContact CB-CG 4.24Å; N335-K338 PolarHBondContact O-N 2.9Å; N335-K338 PolarHBondContact OD1-N 3.05Å; K338-I341 PolarHBondContact O-N 3.07Å; K338-I342 WeakPolarHBondContact O-CD1 3.29Å; K338-I342 VanDerWaalsContact O-CG1 3.24Å; K338-I342 WeakPolarHBondContact O-CG1 3.48Å; K338-I342 PolarHBondContact O-N 3.25Å |
| 339 | V | 95.2 | Very high | 94.5 | Very high | 12 Ų | 12 | 52 Ų | 52 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 176.7 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | Y333 N335 T336 E337 I342 Q343 L387 | Y333-V339 HydrophobicContact CD1-CG1 4.29Å; Y333-V339 HydrophobicContact CD1-CG2 3.81Å; Y333-V339 HydrophobicContact CE1-CG1 4.27Å; Y333-V339 HydrophobicContact CE1-CG2 4.36Å; Y333-V339 HydrophobicContact CG-CG2 3.9Å; N335-V339 VanDerWaalsContact O-CG2 3.3Å; N335-V339 WeakPolarHBondContact O-CG2 3.22Å; N335-V339 PolarHBondContact O-N 3.03Å; T336-V339 PolarHBondContact O-N 3.49Å; E337-V339 VanDerWaalsContact C-N 3.28Å; E337-V339 PolarHBondContact O-N 3Å; V339-I342 PolarHBondContact O-N 3.18Å; V339-Q343 WeakPolarHBondContact O-CB 3.2Å; V339-Q343 PolarHBondContact O-N 2.99Å; V339-L387 HydrophobicContact CG1-CD2 3.9Å |
| 340 | S | 95.2 | Very high | 94.6 | Very high | 70 Ų | 70 | 52.7 Ų | 52.7 | 49% | 0.49 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 176.4 | -167.2 | 0 | 0 | 0 | 0 | 111.9 | T336 E337 Q343 E344 | T336-S340 PolarHBondContact O-N 2.91Å; E337-S340 WeakPolarHBondContact O-CB 3.49Å; E337-S340 PolarHBondContact O-N 3.37Å; E337-S340 VanDerWaalsContact O-N 3.15Å; S340-Q343 PolarHBondContact O-N 2.83Å; S340-E344 WeakPolarHBondContact O-CB 3.39Å; S340-E344 PolarHBondContact O-N 2.86Å |
| 341 | I | 95.9 | Very high | 94.6 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 178.1 | -64.1 | 167.8 | 0 | 0 | 0 | 110.9 | F306 R307 E337 K338 Q343 E344 L345 | F306-I341 HydrophobicContact CD1-CB 4.23Å; F306-I341 HydrophobicContact CD1-CD1 3.9Å; F306-I341 HydrophobicContact CD1-CG2 3.99Å; F306-I341 HydrophobicContact CE1-CB 4.16Å; F306-I341 HydrophobicContact CE1-CG2 4.13Å; R307-I341 HydrophobicContact CB-CG2 3.85Å; R307-I341 HydrophobicContact CG-CG2 3.99Å; E337-I341 HydrophobicContact CG-CD1 4.47Å; E337-I341 WeakPolarHBondContact O-CG1 3.08Å; E337-I341 PolarHBondContact O-N 3.49Å; E337-I341 VanDerWaalsContact O-N 3.08Å; K338-I341 PolarHBondContact O-N 3.07Å; I341-Q343 VanDerWaalsContact C-N 3.33Å; I341-Q343 PolarHBondContact O-N 3.49Å; I341-E344 PolarHBondContact O-N 3.16Å; I341-L345 HydrophobicContact CG2-CD1 4.05Å; I341-L345 HydrophobicContact CG2-CG 4.44Å; I341-L345 WeakPolarHBondContact O-CB 3.3Å; I341-L345 WeakPolarHBondContact O-CG 3.38Å; I341-L345 PolarHBondContact O-N 3.29Å |
| 342 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 176.3 | -69.3 | 164.9 | 0 | 0 | 0 | 110.5 | F306 M310 Y333 K338 V339 V346 F379 | F306-I342 HydrophobicContact CE1-CG1 4.23Å; F306-I342 HydrophobicContact CZ-CD1 4.16Å; F306-I342 HydrophobicContact CZ-CG1 4.19Å; M310-I342 HydrophobicContact CE-CD1 4.01Å; M310-I342 HydrophobicContact CE-CG1 4.09Å; M310-I342 HydrophobicContact CG-CG1 4.11Å; M310-I342 HydrophobicContact SD-CG1 4.35Å; Y333-I342 HydrophobicContact CE2-CD1 4.44Å; K338-I342 WeakPolarHBondContact O-CD1 3.29Å; K338-I342 VanDerWaalsContact O-CG1 3.24Å; K338-I342 WeakPolarHBondContact O-CG1 3.48Å; K338-I342 PolarHBondContact O-N 3.25Å; V339-I342 PolarHBondContact O-N 3.18Å; I342-V346 HydrophobicContact CG2-CG2 4.24Å; I342-V346 WeakPolarHBondContact O-CB 3.45Å; I342-V346 WeakPolarHBondContact O-CG2 3.19Å; I342-V346 PolarHBondContact O-N 3.08Å; I342-F379 HydrophobicContact CG2-CE1 3.72Å; I342-F379 HydrophobicContact CG2-CZ 3.87Å |
| 343 | Q | 96.8 | Very high | 94.6 | Very high | 65 Ų | 65 | 47.3 Ų | 47.3 | 30% | 0.304 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.1 | -53 | 179.4 | -171.2 | -179.6 | -62.8 | 0 | 0 | 110.2 | V339 S340 I341 L345 V346 T347 H383 F384 | V339-Q343 WeakPolarHBondContact O-CB 3.2Å; V339-Q343 PolarHBondContact O-N 2.99Å; S340-Q343 PolarHBondContact O-N 2.83Å; I341-Q343 VanDerWaalsContact C-N 3.33Å; I341-Q343 PolarHBondContact O-N 3.49Å; Q343-L345 PolarHBondContact O-N 3.33Å; Q343-V346 PolarHBondContact O-N 2.89Å; Q343-T347 HydrophobicContact CG-CG2 4.42Å; Q343-T347 WeakPolarHBondContact O-CG2 3.24Å; Q343-T347 PolarHBondContact O-N 3.44Å; Q343-T347 PolarHBondContact O-OG1 2.84Å; Q343-H383 WeakPolarHBondContact CB-NE2 3.47Å; Q343-H383 WeakPolarHBondContact CG-NE2 3Å; Q343-H383 PolarHBondContact OE1-NE2 3.45Å; Q343-H383 VanDerWaalsContact OE1-NE2 3.15Å; Q343-F384 HydrophobicContact CG-CE1 4.48Å; Q343-F384 HydrophobicContact CG-CZ 4.41Å |
| 344 | E | 96.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 52 Ų | 52 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58 | -49.1 | -178.6 | -168.1 | -161.8 | 135 | 0 | 0 | 112.2 | R307 S340 I341 V346 T347 N348 | R307-E344 IonicContact CZ-OE1 3.31Å; R307-E344 IonicContact CZ-OE2 3.51Å; R307-E344 IonicContact NH1-OE1 3.67Å; R307-E344 PolarHBondContact NH1-OE1 2.92Å; R307-E344 IonicContact NH1-OE2 3.91Å; R307-E344 PolarHBondContact NH1-OE2 3.42Å; R307-E344 IonicContact NH2-OE1 3.28Å; R307-E344 PolarHBondContact NH2-OE1 3.21Å; R307-E344 IonicContact NH2-OE2 2.81Å; R307-E344 PolarHBondContact NH2-OE2 3.23Å; S340-E344 WeakPolarHBondContact O-CB 3.39Å; S340-E344 PolarHBondContact O-N 2.86Å; I341-E344 PolarHBondContact O-N 3.16Å; E344-V346 PolarHBondContact O-N 3.41Å; E344-T347 PolarHBondContact O-OG1 3.33Å; E344-N348 WeakPolarHBondContact O-CB 3.43Å; E344-N348 PolarHBondContact O-N 2.78Å; E344-N348 PolarHBondContact O-ND2 3.47Å; E344-N348 PolarHBondContact O-OD1 3.47Å |
| 345 | L | 96 | Very high | 94.6 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.8 | -50.4 | 178 | -75.4 | 174.2 | 0 | 0 | 0 | 111.6 | R307 M310 D311 I341 Q343 N348 Y349 | R307-L345 HydrophobicContact CG-CD1 4.08Å; R307-L345 HydrophobicContact CG-CD2 3.99Å; R307-L345 HydrophobicContact CG-CG 4.29Å; M310-L345 HydrophobicContact CB-CD1 4.29Å; M310-L345 HydrophobicContact CG-CD1 4.15Å; D311-L345 HydrophobicContact CB-CD1 4.4Å; D311-L345 HydrophobicContact CB-CD2 4.44Å; I341-L345 HydrophobicContact CG2-CD1 4.05Å; I341-L345 HydrophobicContact CG2-CG 4.44Å; I341-L345 WeakPolarHBondContact O-CB 3.3Å; I341-L345 WeakPolarHBondContact O-CG 3.38Å; I341-L345 PolarHBondContact O-N 3.29Å; Q343-L345 PolarHBondContact O-N 3.33Å; L345-N348 PolarHBondContact O-N 2.72Å; L345-Y349 HydrophobicContact CB-CE2 4.34Å; L345-Y349 VanDerWaalsContact O-CD1 3.29Å; L345-Y349 WeakPolarHBondContact O-CD1 3.44Å; L345-Y349 WeakPolarHBondContact O-CD2 3.43Å; L345-Y349 PolarHBondContact O-N 2.92Å |
| 346 | V | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.9 | -34.6 | -173.1 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | L314 F318 I342 Q343 E344 N348 Y349 E350 V376 F379 L380 | L314-V346 HydrophobicContact CD1-CG2 3.79Å; F318-V346 HydrophobicContact CE2-CG1 4.41Å; F318-V346 HydrophobicContact CE2-CG2 4.19Å; F318-V346 HydrophobicContact CZ-CG1 4.13Å; F318-V346 HydrophobicContact CZ-CG2 4.24Å; I342-V346 HydrophobicContact CG2-CG2 4.24Å; I342-V346 WeakPolarHBondContact O-CB 3.45Å; I342-V346 WeakPolarHBondContact O-CG2 3.19Å; I342-V346 PolarHBondContact O-N 3.08Å; Q343-V346 PolarHBondContact O-N 2.89Å; E344-V346 PolarHBondContact O-N 3.41Å; V346-N348 VanDerWaalsContact C-N 3.33Å; V346-Y349 HydrophobicContact CG2-CD2 4.47Å; V346-Y349 PolarHBondContact O-N 2.82Å; V346-E350 PolarHBondContact O-N 3.38Å; V346-V376 HydrophobicContact CG1-CG1 3.84Å; V346-F379 HydrophobicContact CG1-CD1 4.01Å; V346-F379 HydrophobicContact CG2-CD1 4.16Å; V346-F379 HydrophobicContact CG2-CE1 3.98Å; V346-L380 HydrophobicContact CB-CD2 4.03Å; V346-L380 HydrophobicContact CG1-CD1 4.13Å; V346-L380 HydrophobicContact CG1-CD2 3.62Å; V346-L380 HydrophobicContact CG1-CG 3.64Å |
| 347 | T | 96 | Very high | 94.3 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 23% | 0.233 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.7 | -36 | 172.5 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | Q343 E344 E350 A351 L380 | Q343-T347 HydrophobicContact CG-CG2 4.42Å; Q343-T347 WeakPolarHBondContact O-CG2 3.24Å; Q343-T347 PolarHBondContact O-N 3.44Å; Q343-T347 PolarHBondContact O-OG1 2.84Å; E344-T347 PolarHBondContact O-OG1 3.33Å; T347-E350 PolarHBondContact O-N 3.22Å; T347-A351 PolarHBondContact O-N 2.74Å; T347-L380 HydrophobicContact CG2-CD2 4.05Å |
| 348 | N | 95.2 | Very high | 94.2 | Very high | 86 Ų | 86 | 40.7 Ų | 40.7 | 46% | 0.46 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.9 | -41 | 175.2 | -70.1 | -14.4 | 0 | 0 | 0 | 111.3 | E344 L345 V346 E350 A351 S352 | E344-N348 WeakPolarHBondContact O-CB 3.43Å; E344-N348 PolarHBondContact O-N 2.78Å; E344-N348 PolarHBondContact O-ND2 3.47Å; E344-N348 PolarHBondContact O-OD1 3.47Å; L345-N348 PolarHBondContact O-N 2.72Å; V346-N348 VanDerWaalsContact C-N 3.33Å; N348-E350 VanDerWaalsContact C-N 3.33Å; N348-E350 PolarHBondContact O-N 3.14Å; N348-A351 PolarHBondContact O-N 2.93Å; N348-S352 WeakPolarHBondContact O-CB 3.29Å; N348-S352 PolarHBondContact O-N 2.89Å |
| 349 | Y | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.1 | -45 | 173.2 | -59.4 | -22.2 | 0 | 0 | 0 | 111.6 | D311 L314 F318 L345 V346 A351 S352 L353 F359 | D311-Y349 VanDerWaalsContact CA-OH 3.31Å; D311-Y349 WeakPolarHBondContact CA-OH 3.32Å; D311-Y349 WeakPolarHBondContact CB-OH 3.45Å; D311-Y349 PolarHBondContact OD1-OH 3.16Å; L314-Y349 HydrophobicContact CB-CE2 4.1Å; L314-Y349 HydrophobicContact CD1-CE2 4.18Å; F318-Y349 HydrophobicContact CD2-CD2 4.24Å; F318-Y349 HydrophobicContact CD2-CE2 4.47Å; F318-Y349 HydrophobicContact CE2-CD2 4.02Å; F318-Y349 HydrophobicContact CE2-CE2 4.23Å; L345-Y349 HydrophobicContact CB-CE2 4.34Å; L345-Y349 VanDerWaalsContact O-CD1 3.29Å; L345-Y349 WeakPolarHBondContact O-CD1 3.44Å; L345-Y349 WeakPolarHBondContact O-CD2 3.43Å; L345-Y349 PolarHBondContact O-N 2.92Å; V346-Y349 HydrophobicContact CG2-CD2 4.47Å; V346-Y349 PolarHBondContact O-N 2.82Å; Y349-A351 PolarHBondContact O-N 3.45Å; Y349-S352 PolarHBondContact O-N 2.93Å; Y349-L353 VanDerWaalsContact O-CB 3.24Å; Y349-L353 WeakPolarHBondContact O-CB 3.45Å; Y349-L353 WeakPolarHBondContact O-CD1 3.39Å; Y349-L353 WeakPolarHBondContact O-CG 3.35Å; Y349-L353 PolarHBondContact O-N 3.32Å; Y349-F359 HydrophobicContact CD1-CB 4.14Å; Y349-F359 AromaticContact CD1-CD1 3.92Å; Y349-F359 HydrophobicContact CD1-CD1 3.92Å; Y349-F359 WeakPolarHBondContact CD1-O 3.2Å; Y349-F359 HydrophobicContact CD2-CD1 4.03Å; Y349-F359 HydrophobicContact CD2-CE1 4.35Å; Y349-F359 HydrophobicContact CE1-CD1 4.47Å; Y349-F359 AromaticContact CG-CD1 3.71Å; Y349-F359 HydrophobicContact CG-CD1 3.71Å; Y349-F359 HydrophobicContact CG-CE1 4.41Å |
| 350 | E | 95.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 179.2 | -166.1 | -150.8 | 171.4 | 0 | 0 | 111.9 | V346 T347 N348 K354 L373 V376 Q377 L380 Y396 | V346-E350 PolarHBondContact O-N 3.38Å; T347-E350 PolarHBondContact O-N 3.22Å; N348-E350 VanDerWaalsContact C-N 3.33Å; N348-E350 PolarHBondContact O-N 3.14Å; E350-K354 HydrophobicContact CG-CD 4.42Å; E350-K354 WeakPolarHBondContact O-CB 3.49Å; E350-K354 WeakPolarHBondContact O-CG 3.42Å; E350-K354 PolarHBondContact O-N 3.22Å; E350-K354 VanDerWaalsContact O-N 3.09Å; E350-K354 VanDerWaalsContact OE1-CE 3.23Å; E350-K354 WeakPolarHBondContact OE1-CE 3.39Å; E350-K354 IonicContact OE1-NZ 3.85Å; E350-K354 PolarHBondContact OE1-NZ 3.2Å; E350-L373 HydrophobicContact CG-CD1 3.92Å; E350-V376 HydrophobicContact CB-CG1 3.81Å; E350-V376 HydrophobicContact CG-CG1 4.27Å; E350-Q377 HydrophobicContact CG-CG 4.43Å; E350-L380 HydrophobicContact CB-CD1 4.03Å; E350-L380 HydrophobicContact CG-CD1 4.21Å; E350-L380 WeakPolarHBondContact OE2-CD1 3.28Å; E350-Y396 VanDerWaalsContact CD-CE1 3.42Å; E350-Y396 VanDerWaalsContact OE1-CE1 3.31Å; E350-Y396 WeakPolarHBondContact OE1-CE1 3.24Å; E350-Y396 WeakPolarHBondContact OE2-CE1 3.47Å; E350-Y396 PolarHBondContact OE2-OH 3.35Å |
| 351 | A | 94.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 46% | 0.455 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T347 N348 Y349 T355 | T347-A351 PolarHBondContact O-N 2.74Å; N348-A351 PolarHBondContact O-N 2.93Å; Y349-A351 PolarHBondContact O-N 3.45Å; A351-T355 WeakPolarHBondContact O-CG2 3.34Å; A351-T355 PolarHBondContact O-N 3.34Å; A351-T355 PolarHBondContact O-OG1 2.82Å |
| 352 | S | 93.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -51 | 178.6 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | N348 Y349 K354 T355 C356 F358 F359 S360 P361 | N348-S352 WeakPolarHBondContact O-CB 3.29Å; N348-S352 PolarHBondContact O-N 2.89Å; Y349-S352 PolarHBondContact O-N 2.93Å; S352-K354 VanDerWaalsContact C-N 3.26Å; S352-K354 PolarHBondContact O-N 3.41Å; S352-T355 PolarHBondContact O-N 3.35Å; S352-T355 PolarHBondContact O-OG1 2.89Å; S352-C356 PolarHBondContact O-N 2.8Å; S352-C356 PolarHBondContact O-SG 2.92Å; S352-F358 CarbonylContact C-O 3.52Å; S352-F358 VanDerWaalsContact C-O 3.3Å; S352-F358 WeakPolarHBondContact CB-O 3.36Å; S352-F358 PolarHBondContact OG-O 3.45Å; S352-F359 WeakPolarHBondContact CB-O 3.44Å; S352-S360 VanDerWaalsContact OG-C 3.24Å; S352-S360 WeakPolarHBondContact OG-CA 3.42Å; S352-S360 PolarHBondContact OG-N 3.16Å; S352-P361 WeakPolarHBondContact OG-CD 3.33Å |
| 353 | L | 93.2 | Very high | 91 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -33.3 | -179.1 | -73.4 | 166.8 | 0 | 0 | 0 | 112.6 | Y349 T355 D357 F358 F359 E368 T372 L373 V376 | Y349-L353 VanDerWaalsContact O-CB 3.24Å; Y349-L353 WeakPolarHBondContact O-CB 3.45Å; Y349-L353 WeakPolarHBondContact O-CD1 3.39Å; Y349-L353 WeakPolarHBondContact O-CG 3.35Å; Y349-L353 PolarHBondContact O-N 3.32Å; L353-T355 VanDerWaalsContact C-N 3.3Å; L353-T355 PolarHBondContact O-N 2.87Å; L353-D357 PolarHBondContact O-N 3.31Å; L353-F358 PolarHBondContact N-O 3.42Å; L353-F359 HydrophobicContact CD1-CD1 4.31Å; L353-F359 HydrophobicContact CD1-CE1 4.32Å; L353-E368 HydrophobicContact CD2-CB 3.83Å; L353-E368 HydrophobicContact CD2-CG 4.19Å; L353-T372 HydrophobicContact CD1-CG2 4Å; L353-T372 HydrophobicContact CD2-CG2 4.31Å; L353-L373 HydrophobicContact CB-CB 4.41Å; L353-L373 HydrophobicContact CB-CD1 4.06Å; L353-V376 HydrophobicContact CD1-CG2 3.93Å |
| 354 | K | 91.9 | Very high | 89.4 | Confident | 125 Ų | 125 | 59.6 Ų | 59.6 | 54% | 0.543 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.3 | -26.9 | 173.3 | -79.6 | 174.4 | 168.4 | 173.7 | 0 | 113.6 | E350 S352 L373 | E350-K354 HydrophobicContact CG-CD 4.42Å; E350-K354 WeakPolarHBondContact O-CB 3.49Å; E350-K354 WeakPolarHBondContact O-CG 3.42Å; E350-K354 PolarHBondContact O-N 3.22Å; E350-K354 VanDerWaalsContact O-N 3.09Å; E350-K354 VanDerWaalsContact OE1-CE 3.23Å; E350-K354 WeakPolarHBondContact OE1-CE 3.39Å; E350-K354 IonicContact OE1-NZ 3.85Å; E350-K354 PolarHBondContact OE1-NZ 3.2Å; S352-K354 VanDerWaalsContact C-N 3.26Å; S352-K354 PolarHBondContact O-N 3.41Å; K354-L373 HydrophobicContact CG-CD1 4.19Å; K354-L373 HydrophobicContact CG-CD2 4.05Å |
| 355 | T | 90.8 | Very high | 88.4 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 69% | 0.693 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -97.6 | -39.7 | -174 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | A351 S352 L353 | A351-T355 WeakPolarHBondContact O-CG2 3.34Å; A351-T355 PolarHBondContact O-N 3.34Å; A351-T355 PolarHBondContact O-OG1 2.82Å; S352-T355 PolarHBondContact O-N 3.35Å; S352-T355 PolarHBondContact O-OG1 2.89Å; L353-T355 VanDerWaalsContact C-N 3.3Å; L353-T355 PolarHBondContact O-N 2.87Å |
| 356 | C | 86.9 | Confident | 87.7 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -138.1 | 5.5 | -169.8 | 61.8 | 0 | 0 | 0 | 0 | 115.1 | S352 F358 | S352-C356 PolarHBondContact O-N 2.8Å; S352-C356 PolarHBondContact O-SG 2.92Å; C356-F358 HydrophobicContact CB-CD2 4.2Å; C356-F358 WeakPolarHBondContact O-CD2 3.49Å; C356-F358 WeakPolarHBondContact O-CE2 3.37Å; C356-F358 PolarHBondContact O-N 2.84Å |
| 357 | D | 90 | Very high | 87.3 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 61.1 | 20.3 | -176.7 | -43.9 | -50.3 | 0 | 0 | 0 | 114.5 | L353 K367 E368 | L353-D357 PolarHBondContact O-N 3.31Å; D357-K367 HydrophobicContact CB-CB 4.08Å; D357-K367 HydrophobicContact CB-CD 4.18Å; D357-K367 HydrophobicContact CB-CG 4.2Å; D357-K367 IonicContact OD2-NZ 3.15Å; D357-K367 PolarHBondContact OD2-NZ 3.03Å; D357-E368 WeakPolarHBondContact O-CB 3.45Å; D357-E368 PolarHBondContact O-N 2.84Å |
| 358 | F | 90.4 | Very high | 87.1 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 16% | 0.158 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -120.1 | 157.3 | 174.7 | -65.7 | -75.9 | 0 | 0 | 0 | 111.2 | S352 L353 C356 S360 E363 G365 E366 K367 | S352-F358 CarbonylContact C-O 3.52Å; S352-F358 VanDerWaalsContact C-O 3.3Å; S352-F358 WeakPolarHBondContact CB-O 3.36Å; S352-F358 PolarHBondContact OG-O 3.45Å; L353-F358 PolarHBondContact N-O 3.42Å; C356-F358 HydrophobicContact CB-CD2 4.2Å; C356-F358 WeakPolarHBondContact O-CD2 3.49Å; C356-F358 WeakPolarHBondContact O-CE2 3.37Å; C356-F358 PolarHBondContact O-N 2.84Å; F358-S360 VanDerWaalsContact C-N 3.29Å; F358-S360 WeakPolarHBondContact CB-O 3.46Å; F358-S360 PolarHBondContact O-N 3.46Å; F358-E363 HydrophobicContact CB-CB 4.41Å; F358-E363 HydrophobicContact CD1-CB 4.3Å; F358-G365 VanDerWaalsContact CE1-O 3.29Å; F358-G365 WeakPolarHBondContact CE1-O 3.4Å; F358-E366 WeakPolarHBondContact CE1-O 3.32Å; F358-K367 HydrophobicContact CE1-CG 4.27Å; F358-K367 HydrophobicContact CE2-CG 4.06Å; F358-K367 HydrophobicContact CZ-CG 3.71Å |
| 359 | F | 88.8 | Confident | 87 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 4% | 0.039 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -69.8 | -26.7 | 174.3 | -76.5 | -74.4 | 0 | 0 | 0 | 112.8 | R315 F318 S319 Y349 S352 L353 E368 T372 | R315-F359 HydrophobicContact CB-CD2 4.47Å; R315-F359 HydrophobicContact CB-CE2 4.13Å; R315-F359 HydrophobicContact CB-CZ 4.26Å; R315-F359 HydrophobicContact CG-CD1 4.21Å; R315-F359 HydrophobicContact CG-CD2 4.07Å; R315-F359 HydrophobicContact CG-CE1 4.33Å; R315-F359 HydrophobicContact CG-CE2 4.17Å; R315-F359 HydrophobicContact CG-CG 4.09Å; R315-F359 HydrophobicContact CG-CZ 4.31Å; F318-F359 HydrophobicContact CB-CE1 4Å; F318-F359 HydrophobicContact CB-CZ 3.89Å; F318-F359 HydrophobicContact CD2-CE1 4.15Å; S319-F359 WeakPolarHBondContact OG-CE2 3.46Å; Y349-F359 HydrophobicContact CD1-CB 4.14Å; Y349-F359 AromaticContact CD1-CD1 3.92Å; Y349-F359 HydrophobicContact CD1-CD1 3.92Å; Y349-F359 WeakPolarHBondContact CD1-O 3.2Å; Y349-F359 HydrophobicContact CD2-CD1 4.03Å; Y349-F359 HydrophobicContact CD2-CE1 4.35Å; Y349-F359 HydrophobicContact CE1-CD1 4.47Å; Y349-F359 AromaticContact CG-CD1 3.71Å; Y349-F359 HydrophobicContact CG-CD1 3.71Å; Y349-F359 HydrophobicContact CG-CE1 4.41Å; S352-F359 WeakPolarHBondContact CB-O 3.44Å; L353-F359 HydrophobicContact CD1-CD1 4.31Å; L353-F359 HydrophobicContact CD1-CE1 4.32Å; F359-E368 HydrophobicContact CD2-CG 4Å; F359-E368 HydrophobicContact CE2-CG 3.78Å; F359-E368 WeakPolarHBondContact CE2-OE1 3.49Å; F359-E368 HydrophobicContact CZ-CG 4.5Å; F359-T372 HydrophobicContact CE1-CG2 3.79Å; F359-T372 HydrophobicContact CE2-CG2 4.15Å; F359-T372 HydrophobicContact CZ-CG2 3.4Å |
| 360 | S | 87.1 | Confident | 86.8 | Confident | 32 Ų | 32 | 77 Ų | 77 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -135.6 | 144.5 | 173.3 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | S352 F358 Y362 E363 | S352-S360 VanDerWaalsContact OG-C 3.24Å; S352-S360 WeakPolarHBondContact OG-CA 3.42Å; S352-S360 PolarHBondContact OG-N 3.16Å; F358-S360 VanDerWaalsContact C-N 3.29Å; F358-S360 WeakPolarHBondContact CB-O 3.46Å; F358-S360 PolarHBondContact O-N 3.46Å; S360-Y362 PolarHBondContact O-N 2.99Å; S360-Y362 VanDerWaalsContact O-N 3.08Å; S360-Y362 PolarHBondContact OG-N 3.03Å; S360-E363 VanDerWaalsContact CB-OE1 3.27Å; S360-E363 WeakPolarHBondContact CB-OE1 3.42Å; S360-E363 PolarHBondContact O-N 2.82Å |
| 361 | P | 79.4 | Confident | 86.7 | Confident | 89 Ų | 89 | 79.7 Ų | 79.7 | 58% | 0.578 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.1 | 176.4 | -23 | 34.3 | 0 | 0 | 0 | 114.8 | S352 | S352-P361 WeakPolarHBondContact OG-CD 3.33Š|
| 362 | Y | 77.3 | Confident | 86.7 | Confident | 207 Ų | 207 | 77 Ų | 77 | 81% | 0.812 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 13.7 | -176.1 | -51.3 | -74.9 | 0 | 0 | 0 | 113 | S360 | S360-Y362 PolarHBondContact O-N 2.99Å; S360-Y362 VanDerWaalsContact O-N 3.08Å; S360-Y362 PolarHBondContact OG-N 3.03Å |
| 363 | E | 78.3 | Confident | 86.8 | Confident | 59 Ų | 59 | 78.6 Ų | 78.6 | 28% | 0.276 | 42% | 0.421 | S | S | . | . | trans | -87.5 | 129.9 | -180 | -85.9 | 164.6 | -153.2 | 0 | 0 | 113 | R315 F358 S360 | R315-E363 IonicContact CZ-OE1 2.95Å; R315-E363 VanDerWaalsContact NH1-CD 3.3Å; R315-E363 IonicContact NH1-OE1 3.08Å; R315-E363 PolarHBondContact NH1-OE1 3.17Å; R315-E363 IonicContact NH1-OE2 2.81Å; R315-E363 PolarHBondContact NH1-OE2 3.49Å; R315-E363 IonicContact NH2-OE1 2.69Å; R315-E363 PolarHBondContact NH2-OE1 3.28Å; F358-E363 HydrophobicContact CB-CB 4.41Å; F358-E363 HydrophobicContact CD1-CB 4.3Å; S360-E363 VanDerWaalsContact CB-OE1 3.27Å; S360-E363 WeakPolarHBondContact CB-OE1 3.42Å; S360-E363 PolarHBondContact O-N 2.82Å | ||
| 364 | D | 63.8 | Low | 86.9 | Confident | 176 Ų | 176 | 78.8 Ų | 78.8 | 94% | 0.941 | 42% | 0.422 | S | S | * | . | trans | -100.7 | 95.5 | 167.9 | -65.3 | -38.3 | 0 | 0 | 0 | 108.3 | ||||
| 365 | G | 74.6 | Confident | 87.2 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 56% | 0.557 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -160.4 | -170 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F358 | F358-G365 VanDerWaalsContact CE1-O 3.29Å; F358-G365 WeakPolarHBondContact CE1-O 3.4Å |
| 366 | E | 80.5 | Confident | 87.5 | Confident | 184 Ų | 184 | 68.9 Ų | 68.9 | 86% | 0.86 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 141.9 | 169.6 | -67.6 | -172.8 | 170.4 | 0 | 0 | 110.4 | F358 | F358-E366 WeakPolarHBondContact CE1-O 3.32Š|
| 367 | K | 88.5 | Confident | 87.9 | Confident | 134 Ų | 134 | 68 Ų | 68 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 138.5 | 176.8 | -70.3 | -175.2 | 161.8 | -144.8 | 0 | 110.8 | D357 F358 | D357-K367 HydrophobicContact CB-CB 4.08Å; D357-K367 HydrophobicContact CB-CD 4.18Å; D357-K367 HydrophobicContact CB-CG 4.2Å; D357-K367 IonicContact OD2-NZ 3.15Å; D357-K367 PolarHBondContact OD2-NZ 3.03Å; F358-K367 HydrophobicContact CE1-CG 4.27Å; F358-K367 HydrophobicContact CE2-CG 4.06Å; F358-K367 HydrophobicContact CZ-CG 3.71Å |
| 368 | E | 92.8 | Very high | 88.3 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 142.8 | 175.3 | -73.7 | -72.1 | 156.4 | 0 | 0 | 111 | S319 L353 D357 F359 T372 | S319-E368 WeakPolarHBondContact CB-OE2 3.45Å; S319-E368 PolarHBondContact OG-OE1 3.25Å; S319-E368 PolarHBondContact OG-OE2 3.1Å; L353-E368 HydrophobicContact CD2-CB 3.83Å; L353-E368 HydrophobicContact CD2-CG 4.19Å; D357-E368 WeakPolarHBondContact O-CB 3.45Å; D357-E368 PolarHBondContact O-N 2.84Å; F359-E368 HydrophobicContact CD2-CG 4Å; F359-E368 HydrophobicContact CE2-CG 3.78Å; F359-E368 WeakPolarHBondContact CE2-OE1 3.49Å; F359-E368 HydrophobicContact CZ-CG 4.5Å; E368-T372 HydrophobicContact CB-CG2 4.17Å; E368-T372 HydrophobicContact CG-CG2 4.18Å; E368-T372 WeakPolarHBondContact OE2-CG2 3.28Å; E368-T372 PolarHBondContact OE2-OG1 2.94Å |
| 369 | P | 92.9 | Very high | 88.6 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 158.2 | 174.4 | 28.6 | -35.1 | 0 | 0 | 0 | 111.4 | T371 T372 | P369-T371 WeakPolarHBondContact CG-OG1 3.34Å; P369-T371 PolarHBondContact O-N 3.11Å; P369-T372 WeakPolarHBondContact O-CB 3.4Å; P369-T372 PolarHBondContact O-N 3.08Å; P369-T372 PolarHBondContact O-OG1 3.48Å |
| 370 | P | 91.3 | Very high | 89 | Confident | 113 Ų | 113 | 63.2 Ų | 63.2 | 73% | 0.734 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.4 | -22.1 | 177.9 | 24.6 | -35 | 0 | 0 | 0 | 113.2 | T372 L373 L374 | P370-T372 PolarHBondContact O-N 3.43Å; P370-L373 PolarHBondContact O-N 3.23Å; P370-L374 PolarHBondContact O-N 2.78Å |
| 371 | T | 93.6 | Very high | 89.5 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -30.1 | 173.6 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | P369 L374 W375 | P369-T371 WeakPolarHBondContact CG-OG1 3.34Å; P369-T371 PolarHBondContact O-N 3.11Å; T371-L374 WeakPolarHBondContact O-CB 3.49Å; T371-L374 PolarHBondContact O-N 3.35Å; T371-W375 PolarHBondContact O-N 3.41Å; T371-W375 VanDerWaalsContact O-N 3.1Å |
| 372 | T | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | F318 L353 F359 E368 P369 P370 L374 W375 V376 | F318-T372 HydrophobicContact CB-CG2 4.11Å; L353-T372 HydrophobicContact CD1-CG2 4Å; L353-T372 HydrophobicContact CD2-CG2 4.31Å; F359-T372 HydrophobicContact CE1-CG2 3.79Å; F359-T372 HydrophobicContact CE2-CG2 4.15Å; F359-T372 HydrophobicContact CZ-CG2 3.4Å; E368-T372 HydrophobicContact CB-CG2 4.17Å; E368-T372 HydrophobicContact CG-CG2 4.18Å; E368-T372 WeakPolarHBondContact OE2-CG2 3.28Å; E368-T372 PolarHBondContact OE2-OG1 2.94Å; P369-T372 WeakPolarHBondContact O-CB 3.4Å; P369-T372 PolarHBondContact O-N 3.08Å; P369-T372 PolarHBondContact O-OG1 3.48Å; P370-T372 PolarHBondContact O-N 3.43Å; T372-L374 VanDerWaalsContact C-N 3.33Å; T372-L374 PolarHBondContact O-N 2.86Å; T372-W375 PolarHBondContact O-N 3.1Å; T372-V376 WeakPolarHBondContact O-CG2 3.08Å; T372-V376 PolarHBondContact O-N 3.38Å; T372-V376 VanDerWaalsContact O-N 3.07Å |
| 373 | L | 95.4 | Very high | 91.3 | Very high | 38 Ų | 38 | 48 Ų | 48 | 20% | 0.199 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 174.6 | 178.2 | 61.5 | 0 | 0 | 0 | 111.8 | E350 L353 K354 P370 W375 V376 Q377 | E350-L373 HydrophobicContact CG-CD1 3.92Å; L353-L373 HydrophobicContact CB-CB 4.41Å; L353-L373 HydrophobicContact CB-CD1 4.06Å; K354-L373 HydrophobicContact CG-CD1 4.19Å; K354-L373 HydrophobicContact CG-CD2 4.05Å; P370-L373 PolarHBondContact O-N 3.23Å; L373-W375 VanDerWaalsContact C-N 3.35Å; L373-W375 PolarHBondContact O-N 3.24Å; L373-V376 PolarHBondContact O-N 2.78Å; L373-Q377 HydrophobicContact CD1-CG 4.22Å; L373-Q377 HydrophobicContact CG-CG 4.49Å; L373-Q377 WeakPolarHBondContact O-CG 3.46Å; L373-Q377 PolarHBondContact O-N 3.26Å |
| 374 | L | 96.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.5 | -47.1 | 176.2 | 174.4 | 67.3 | 0 | 0 | 0 | 111.8 | P370 T371 T372 Q377 Y378 A400 T404 L407 L410 | P370-L374 PolarHBondContact O-N 2.78Å; T371-L374 WeakPolarHBondContact O-CB 3.49Å; T371-L374 PolarHBondContact O-N 3.35Å; T372-L374 VanDerWaalsContact C-N 3.33Å; T372-L374 PolarHBondContact O-N 2.86Å; L374-Q377 PolarHBondContact O-N 2.85Å; L374-Y378 WeakPolarHBondContact O-CB 3.4Å; L374-Y378 PolarHBondContact O-N 3.35Å; L374-A400 HydrophobicContact CD1-CB 3.78Å; L374-T404 HydrophobicContact CD2-CG2 4.28Å; L374-L407 HydrophobicContact CD2-CD2 3.97Å; L374-L410 HydrophobicContact CD1-CD1 4.11Å; L374-L410 HydrophobicContact CD1-CD2 4.34Å |
| 375 | W | 96.7 | Very high | 93.6 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 11% | 0.114 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.5 | -31.8 | -179.9 | -70.3 | 112.1 | 0 | 0 | 0 | 113.3 | F318 P323 T371 T372 L373 Y378 F379 L407 | F318-W375 HydrophobicContact CD1-CB 4.03Å; P323-W375 HydrophobicContact CB-CH2 3.91Å; P323-W375 HydrophobicContact CB-CZ3 3.87Å; P323-W375 HydrophobicContact CG-CH2 3.59Å; P323-W375 HydrophobicContact CG-CZ2 4.3Å; P323-W375 HydrophobicContact CG-CZ3 4.04Å; T371-W375 PolarHBondContact O-N 3.41Å; T371-W375 VanDerWaalsContact O-N 3.1Å; T372-W375 PolarHBondContact O-N 3.1Å; L373-W375 VanDerWaalsContact C-N 3.35Å; L373-W375 PolarHBondContact O-N 3.24Å; W375-Y378 AromaticContact CE3-CD1 3.71Å; W375-Y378 HydrophobicContact CE3-CD1 3.71Å; W375-Y378 HydrophobicContact CE3-CE1 4.34Å; W375-Y378 HydrophobicContact CE3-CG 4.3Å; W375-Y378 AromaticContact CZ3-CD1 3.74Å; W375-Y378 HydrophobicContact CZ3-CD1 3.74Å; W375-Y378 AromaticContact CZ3-CE1 3.96Å; W375-Y378 HydrophobicContact CZ3-CE1 3.96Å; W375-Y378 HydrophobicContact CZ3-CG 4.37Å; W375-F379 WeakPolarHBondContact O-CB 3.35Å; W375-F379 PolarHBondContact O-N 3.45Å; W375-L407 HydrophobicContact CH2-CD2 3.95Å; W375-L407 HydrophobicContact CZ2-CD2 4.21Å; W375-L407 HydrophobicContact CZ3-CD2 4.48Å |
| 376 | V | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -48.7 | 170.8 | 167.4 | 0 | 0 | 0 | 0 | 110.5 | F318 V346 E350 L353 T372 L373 Y378 F379 L380 | F318-V376 HydrophobicContact CB-CG2 4.31Å; F318-V376 HydrophobicContact CD1-CG2 3.91Å; F318-V376 HydrophobicContact CD2-CG2 3.83Å; F318-V376 HydrophobicContact CE1-CG2 4.12Å; F318-V376 HydrophobicContact CE2-CG2 4.03Å; F318-V376 HydrophobicContact CG-CG2 3.78Å; F318-V376 HydrophobicContact CZ-CG2 4.18Å; V346-V376 HydrophobicContact CG1-CG1 3.84Å; E350-V376 HydrophobicContact CB-CG1 3.81Å; E350-V376 HydrophobicContact CG-CG1 4.27Å; L353-V376 HydrophobicContact CD1-CG2 3.93Å; T372-V376 WeakPolarHBondContact O-CG2 3.08Å; T372-V376 PolarHBondContact O-N 3.38Å; T372-V376 VanDerWaalsContact O-N 3.07Å; L373-V376 PolarHBondContact O-N 2.78Å; V376-Y378 PolarHBondContact O-N 3.31Å; V376-F379 PolarHBondContact O-N 3.23Å; V376-L380 HydrophobicContact CG1-CD1 4.11Å; V376-L380 WeakPolarHBondContact O-CG 3.21Å; V376-L380 PolarHBondContact O-N 3.27Å |
| 377 | Q | 96.9 | Very high | 94.9 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 177.7 | -70.9 | 176.6 | -23.9 | 0 | 0 | 112.3 | E350 L373 L374 F379 L380 A381 Y396 A400 | E350-Q377 HydrophobicContact CG-CG 4.43Å; L373-Q377 HydrophobicContact CD1-CG 4.22Å; L373-Q377 HydrophobicContact CG-CG 4.49Å; L373-Q377 WeakPolarHBondContact O-CG 3.46Å; L373-Q377 PolarHBondContact O-N 3.26Å; L374-Q377 PolarHBondContact O-N 2.85Å; Q377-F379 VanDerWaalsContact C-N 3.33Å; Q377-F379 PolarHBondContact O-N 2.81Å; Q377-L380 PolarHBondContact O-N 2.73Å; Q377-A381 PolarHBondContact O-N 3.29Å; Q377-Y396 HydrophobicContact CB-CD1 4.37Å; Q377-Y396 HydrophobicContact CG-CD1 4.32Å; Q377-A400 HydrophobicContact CB-CB 4.38Å |
| 378 | Y | 97.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 174 | 176.4 | -109.8 | 0 | 0 | 0 | 112.1 | L374 W375 V376 A381 Q382 I397 E409 L410 M413 | L374-Y378 WeakPolarHBondContact O-CB 3.4Å; L374-Y378 PolarHBondContact O-N 3.35Å; W375-Y378 AromaticContact CE3-CD1 3.71Å; W375-Y378 HydrophobicContact CE3-CD1 3.71Å; W375-Y378 HydrophobicContact CE3-CE1 4.34Å; W375-Y378 HydrophobicContact CE3-CG 4.3Å; W375-Y378 AromaticContact CZ3-CD1 3.74Å; W375-Y378 HydrophobicContact CZ3-CD1 3.74Å; W375-Y378 AromaticContact CZ3-CE1 3.96Å; W375-Y378 HydrophobicContact CZ3-CE1 3.96Å; W375-Y378 HydrophobicContact CZ3-CG 4.37Å; V376-Y378 PolarHBondContact O-N 3.31Å; Y378-A381 PolarHBondContact O-N 3.49Å; Y378-Q382 VanDerWaalsContact CZ-NE2 3.28Å; Y378-Q382 WeakPolarHBondContact O-CG 3.29Å; Y378-Q382 PolarHBondContact O-N 2.72Å; Y378-Q382 VanDerWaalsContact O-N 3.16Å; Y378-Q382 PolarHBondContact OH-NE2 3.43Å; Y378-I397 HydrophobicContact CD2-CD1 4.09Å; Y378-E409 HydrophobicContact CE2-CB 4.02Å; Y378-L410 HydrophobicContact CD2-CD2 3.66Å; Y378-L410 HydrophobicContact CE2-CD2 4.4Å; Y378-L410 HydrophobicContact CG-CD2 4.3Å; Y378-M413 HydrophobicContact CD2-CB 4.44Å; Y378-M413 HydrophobicContact CE2-CB 3.76Å; Y378-M413 HydrophobicContact CE2-CG 4.2Å |
| 379 | F | 97.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 175.2 | -176 | -80.3 | 0 | 0 | 0 | 112 | L314 F318 L325 F326 L329 I342 V346 W375 V376 Q377 A381 Q382 H383 | L314-F379 HydrophobicContact CD2-CE2 4.43Å; L314-F379 HydrophobicContact CD2-CZ 4.47Å; F318-F379 HydrophobicContact CE1-CB 3.68Å; F318-F379 HydrophobicContact CE1-CD2 4.25Å; F318-F379 HydrophobicContact CE1-CG 4.05Å; F318-F379 HydrophobicContact CZ-CB 3.92Å; F318-F379 HydrophobicContact CZ-CD1 4.28Å; F318-F379 HydrophobicContact CZ-CD2 4.18Å; F318-F379 AromaticContact CZ-CG 3.88Å; F318-F379 HydrophobicContact CZ-CG 3.88Å; L325-F379 HydrophobicContact CD2-CD2 4.04Å; L325-F379 HydrophobicContact CD2-CE2 4.33Å; L325-F379 HydrophobicContact CG-CD2 4.02Å; L325-F379 HydrophobicContact CG-CE2 4.02Å; F326-F379 HydrophobicContact CB-CD2 3.95Å; F326-F379 HydrophobicContact CB-CE2 4.02Å; F326-F379 HydrophobicContact CD2-CD2 4.32Å; F326-F379 HydrophobicContact CD2-CE2 4.04Å; F326-F379 HydrophobicContact CD2-CZ 4.19Å; L329-F379 HydrophobicContact CD1-CE2 4.04Å; L329-F379 HydrophobicContact CD1-CZ 4.12Å; I342-F379 HydrophobicContact CG2-CE1 3.72Å; I342-F379 HydrophobicContact CG2-CZ 3.87Å; V346-F379 HydrophobicContact CG1-CD1 4.01Å; V346-F379 HydrophobicContact CG2-CD1 4.16Å; V346-F379 HydrophobicContact CG2-CE1 3.98Å; W375-F379 WeakPolarHBondContact O-CB 3.35Å; W375-F379 PolarHBondContact O-N 3.45Å; V376-F379 PolarHBondContact O-N 3.23Å; Q377-F379 VanDerWaalsContact C-N 3.33Å; Q377-F379 PolarHBondContact O-N 2.81Å; F379-A381 PolarHBondContact O-N 3.08Å; F379-Q382 WeakPolarHBondContact O-CB 3.42Å; F379-Q382 PolarHBondContact O-N 2.94Å; F379-Q382 VanDerWaalsContact O-N 3.16Å; F379-H383 HydrophobicContact CE1-CB 4.48Å; F379-H383 WeakPolarHBondContact O-CB 3.05Å; F379-H383 PolarHBondContact O-N 3.3Å |
| 380 | L | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 176.3 | -72.8 | 170.2 | 0 | 0 | 0 | 111.8 | V346 T347 E350 V376 Q377 Q382 H383 F384 Y396 | V346-L380 HydrophobicContact CB-CD2 4.03Å; V346-L380 HydrophobicContact CG1-CD1 4.13Å; V346-L380 HydrophobicContact CG1-CD2 3.62Å; V346-L380 HydrophobicContact CG1-CG 3.64Å; T347-L380 HydrophobicContact CG2-CD2 4.05Å; E350-L380 HydrophobicContact CB-CD1 4.03Å; E350-L380 HydrophobicContact CG-CD1 4.21Å; E350-L380 WeakPolarHBondContact OE2-CD1 3.28Å; V376-L380 HydrophobicContact CG1-CD1 4.11Å; V376-L380 WeakPolarHBondContact O-CG 3.21Å; V376-L380 PolarHBondContact O-N 3.27Å; Q377-L380 PolarHBondContact O-N 2.73Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 2.63Å; L380-H383 WeakPolarHBondContact O-CB 3.44Å; L380-H383 PolarHBondContact O-N 3.11Å; L380-F384 HydrophobicContact CB-CD2 4.31Å; L380-F384 HydrophobicContact CB-CE2 4.19Å; L380-F384 HydrophobicContact CD2-CE2 3.96Å; L380-F384 WeakPolarHBondContact O-CD2 3.45Å; L380-F384 PolarHBondContact O-N 2.89Å; L380-Y396 HydrophobicContact CB-CD1 3.91Å; L380-Y396 HydrophobicContact CB-CD2 4.17Å; L380-Y396 HydrophobicContact CB-CE1 3.95Å; L380-Y396 HydrophobicContact CB-CE2 4.25Å; L380-Y396 HydrophobicContact CB-CG 4.02Å; L380-Y396 HydrophobicContact CD1-CD1 4.18Å; L380-Y396 HydrophobicContact CD1-CE1 3.49Å; L380-Y396 VanDerWaalsContact CD1-CE1 3.49Å; L380-Y396 HydrophobicContact CG-CE1 4.35Å |
| 381 | A | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.4 | -42.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q377 Y378 F379 D385 I397 | Q377-A381 PolarHBondContact O-N 3.29Å; Y378-A381 PolarHBondContact O-N 3.49Å; F379-A381 PolarHBondContact O-N 3.08Å; A381-D385 VanDerWaalsContact O-CB 3.23Å; A381-D385 WeakPolarHBondContact O-CB 3.23Å; A381-D385 PolarHBondContact O-N 3.37Å; A381-D385 VanDerWaalsContact O-N 3.1Å; A381-I397 HydrophobicContact CB-CB 4Å; A381-I397 HydrophobicContact CB-CD1 4.07Å |
| 382 | Q | 97.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.9 | -37.6 | 175.5 | -69.8 | 177.5 | -41.4 | 0 | 0 | 113 | F326 Y378 F379 L380 K386 M413 | F326-Q382 HydrophobicContact CB-CB 4.05Å; F326-Q382 HydrophobicContact CB-CG 4.44Å; F326-Q382 HydrophobicContact CD1-CB 3.87Å; F326-Q382 HydrophobicContact CD1-CG 4.5Å; F326-Q382 HydrophobicContact CD2-CB 3.57Å; F326-Q382 HydrophobicContact CE1-CB 4.24Å; F326-Q382 HydrophobicContact CE2-CB 3.95Å; F326-Q382 HydrophobicContact CG-CB 3.53Å; F326-Q382 HydrophobicContact CG-CG 4.31Å; F326-Q382 HydrophobicContact CZ-CB 4.27Å; F326-Q382 WeakPolarHBondContact CZ-O 3.45Å; Y378-Q382 VanDerWaalsContact CZ-NE2 3.28Å; Y378-Q382 WeakPolarHBondContact O-CG 3.29Å; Y378-Q382 PolarHBondContact O-N 2.72Å; Y378-Q382 VanDerWaalsContact O-N 3.16Å; Y378-Q382 PolarHBondContact OH-NE2 3.43Å; F379-Q382 WeakPolarHBondContact O-CB 3.42Å; F379-Q382 PolarHBondContact O-N 2.94Å; F379-Q382 VanDerWaalsContact O-N 3.16Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 2.63Å; Q382-K386 WeakPolarHBondContact O-CB 3.45Å; Q382-K386 PolarHBondContact O-N 3.27Å; Q382-K386 VanDerWaalsContact O-N 3.12Å; Q382-M413 HydrophobicContact CB-SD 4.49Å; Q382-M413 HydrophobicContact CG-CE 4.05Å; Q382-M413 HydrophobicContact CG-CG 4.04Å; Q382-M413 HydrophobicContact CG-SD 3.47Å; Q382-M413 WeakPolarHBondContact CG-SD 3.37Å |
| 383 | H | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.9 | -54.1 | 177.5 | 175.4 | 88.6 | 0 | 0 | 0 | 111.8 | F326 Y333 Q343 F379 L380 D385 K386 L387 | F326-H383 HydrophobicContact CE2-CB 4.32Å; Y333-H383 AromaticContact CE1-ND1 3.42Å; Y333-H383 WeakPolarHBondContact CE1-ND1 3.37Å; Y333-H383 AromaticContact CZ-ND1 3.52Å; Y333-H383 PolarHBondContact OH-ND1 3.2Å; Q343-H383 WeakPolarHBondContact CB-NE2 3.47Å; Q343-H383 WeakPolarHBondContact CG-NE2 3Å; Q343-H383 PolarHBondContact OE1-NE2 3.45Å; Q343-H383 VanDerWaalsContact OE1-NE2 3.15Å; F379-H383 HydrophobicContact CE1-CB 4.48Å; F379-H383 WeakPolarHBondContact O-CB 3.05Å; F379-H383 PolarHBondContact O-N 3.3Å; L380-H383 WeakPolarHBondContact O-CB 3.44Å; L380-H383 PolarHBondContact O-N 3.11Å; H383-D385 PolarHBondContact O-N 2.75Å; H383-K386 WeakPolarHBondContact O-CB 3.3Å; H383-K386 PolarHBondContact O-N 3.46Å; H383-K386 VanDerWaalsContact O-N 3.08Å; H383-L387 VanDerWaalsContact NE2-CD1 3.29Å; H383-L387 WeakPolarHBondContact NE2-CD1 3.45Å; H383-L387 PolarHBondContact O-N 3.07Å |
| 384 | F | 95.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.6 | -33.7 | -179.4 | -68.5 | -59.1 | 0 | 0 | 0 | 112.6 | Q343 L380 K386 L387 G388 Q389 L392 A393 Y396 | Q343-F384 HydrophobicContact CG-CE1 4.48Å; Q343-F384 HydrophobicContact CG-CZ 4.41Å; L380-F384 HydrophobicContact CB-CD2 4.31Å; L380-F384 HydrophobicContact CB-CE2 4.19Å; L380-F384 HydrophobicContact CD2-CE2 3.96Å; L380-F384 WeakPolarHBondContact O-CD2 3.45Å; L380-F384 PolarHBondContact O-N 2.89Å; F384-K386 VanDerWaalsContact C-N 3.27Å; F384-K386 PolarHBondContact O-N 3.35Å; F384-L387 HydrophobicContact CD1-CD1 4.22Å; F384-L387 HydrophobicContact CE1-CD1 4.5Å; F384-L387 PolarHBondContact O-N 3.48Å; F384-G388 PolarHBondContact O-N 3.19Å; F384-Q389 HydrophobicContact CB-CB 4.24Å; F384-Q389 HydrophobicContact CD1-CB 4.28Å; F384-Q389 VanDerWaalsContact CD1-OE1 3.23Å; F384-Q389 PolarHBondContact O-N 2.86Å; F384-L392 HydrophobicContact CD1-CD2 3.64Å; F384-L392 HydrophobicContact CD1-CG 4.38Å; F384-L392 HydrophobicContact CD2-CD2 3.76Å; F384-L392 HydrophobicContact CD2-CG 3.82Å; F384-L392 HydrophobicContact CE1-CD2 3.51Å; F384-L392 HydrophobicContact CE2-CD2 3.64Å; F384-L392 HydrophobicContact CE2-CG 4.03Å; F384-L392 HydrophobicContact CG-CB 4.38Å; F384-L392 HydrophobicContact CG-CD2 3.77Å; F384-L392 HydrophobicContact CG-CG 4.02Å; F384-L392 HydrophobicContact CZ-CD2 3.51Å; F384-L392 HydrophobicContact CZ-CG 4.4Å; F384-A393 HydrophobicContact CB-CB 3.93Å; F384-Y396 AromaticContact CD2-CD2 3.66Å; F384-Y396 HydrophobicContact CD2-CD2 3.66Å; F384-Y396 AromaticContact CD2-CE2 3.63Å; F384-Y396 HydrophobicContact CD2-CE2 3.63Å; F384-Y396 AromaticContact CE2-CD2 3.87Å; F384-Y396 HydrophobicContact CE2-CD2 3.87Å; F384-Y396 AromaticContact CE2-CE2 3.32Å; F384-Y396 HydrophobicContact CE2-CE2 3.32Å; F384-Y396 HydrophobicContact CZ-CE2 4.4Å |
| 385 | D | 94.4 | Very high | 94.6 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 169 | 176.9 | 51.7 | 0 | 0 | 0 | 111.6 | A381 H383 G388 A393 M413 I417 H420 | A381-D385 VanDerWaalsContact O-CB 3.23Å; A381-D385 WeakPolarHBondContact O-CB 3.23Å; A381-D385 PolarHBondContact O-N 3.37Å; A381-D385 VanDerWaalsContact O-N 3.1Å; H383-D385 PolarHBondContact O-N 2.75Å; D385-G388 PolarHBondContact O-N 3.13Å; D385-A393 HydrophobicContact CB-CB 4.27Å; D385-M413 HydrophobicContact CB-CE 3.56Å; D385-M413 VanDerWaalsContact OD2-CE 3.23Å; D385-M413 WeakPolarHBondContact OD2-CE 3.19Å; D385-I417 HydrophobicContact CB-CG1 4.04Å; D385-H420 IonicContact OD1-CE1 2.66Å; D385-H420 IonicContact OD1-CG 3.32Å; D385-H420 IonicContact OD1-ND1 2.63Å; D385-H420 PolarHBondContact OD1-ND1 2.86Å; D385-H420 IonicContact OD2-CE1 2.72Å; D385-H420 PolarHBondContact OD2-CE1 3.15Å; D385-H420 IonicContact OD2-ND1 3.97Å; D385-H420 PolarHBondContact OD2-ND1 3.13Å |
| 386 | K | 92.7 | Very high | 94.7 | Very high | 101 Ų | 101 | 31.4 Ų | 31.4 | 44% | 0.439 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -71.5 | -31.2 | 179.7 | -178.9 | 59 | 175.4 | 157.6 | 0 | 112.9 | F326 Y333 Q382 H383 F384 G388 | F326-K386 HydrophobicContact CE2-CB 4.45Å; F326-K386 HydrophobicContact CZ-CB 3.66Å; F326-K386 HydrophobicContact CZ-CG 3.97Å; Y333-K386 HydrophobicContact CD1-CB 4.36Å; Y333-K386 HydrophobicContact CD1-CG 3.62Å; Y333-K386 HydrophobicContact CE1-CB 4.43Å; Y333-K386 HydrophobicContact CE1-CG 4.15Å; Y333-K386 HydrophobicContact CG-CG 4.27Å; Q382-K386 WeakPolarHBondContact O-CB 3.45Å; Q382-K386 PolarHBondContact O-N 3.27Å; Q382-K386 VanDerWaalsContact O-N 3.12Å; H383-K386 WeakPolarHBondContact O-CB 3.3Å; H383-K386 PolarHBondContact O-N 3.46Å; H383-K386 VanDerWaalsContact O-N 3.08Å; F384-K386 VanDerWaalsContact C-N 3.27Å; F384-K386 PolarHBondContact O-N 3.35Å; K386-G388 VanDerWaalsContact C-N 3.28Å |
| 387 | L | 90.4 | Very high | 94.7 | Very high | 70 Ų | 70 | 31.4 Ų | 31.4 | 37% | 0.366 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -76.8 | -11.7 | 173 | -69.3 | -176.3 | 0 | 0 | 0 | 113.6 | V339 H383 F384 Q389 | V339-L387 HydrophobicContact CG1-CD2 3.9Å; H383-L387 VanDerWaalsContact NE2-CD1 3.29Å; H383-L387 WeakPolarHBondContact NE2-CD1 3.45Å; H383-L387 PolarHBondContact O-N 3.07Å; F384-L387 HydrophobicContact CD1-CD1 4.22Å; F384-L387 HydrophobicContact CE1-CD1 4.5Å; F384-L387 PolarHBondContact O-N 3.48Å; L387-Q389 VanDerWaalsContact C-N 3.34Å; L387-Q389 HydrophobicContact CB-CG 4.42Å |
| 388 | G | 87.5 | Confident | 94.7 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 32% | 0.32 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 10.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F384 D385 K386 Y390 | F384-G388 PolarHBondContact O-N 3.19Å; D385-G388 PolarHBondContact O-N 3.13Å; K386-G388 VanDerWaalsContact C-N 3.28Å; G388-Y390 VanDerWaalsContact C-N 3.34Å; G388-Y390 WeakPolarHBondContact O-CD2 3.25Å; G388-Y390 PolarHBondContact O-N 3.38Å |
| 389 | Q | 90.3 | Very high | 94.6 | Very high | 89 Ų | 89 | 35.1 Ų | 35.1 | 42% | 0.416 | 19% | 0.193 | S | C | . | . | trans | -88.6 | 72.6 | 175.8 | -64.8 | -178.9 | 9.2 | 0 | 0 | 109.8 | F384 L387 S391 A393 | F384-Q389 HydrophobicContact CB-CB 4.24Å; F384-Q389 HydrophobicContact CD1-CB 4.28Å; F384-Q389 VanDerWaalsContact CD1-OE1 3.23Å; F384-Q389 PolarHBondContact O-N 2.86Å; L387-Q389 VanDerWaalsContact C-N 3.34Å; L387-Q389 HydrophobicContact CB-CG 4.42Å; Q389-S391 PolarHBondContact O-N 2.86Å; Q389-A393 PolarHBondContact O-N 2.7Å; Q389-A393 VanDerWaalsContact O-N 3.12Å | ||
| 390 | Y | 90.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 35 Ų | 35 | 17% | 0.173 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.6 | -33.2 | -167.7 | -55.1 | -57.7 | 0 | 0 | 0 | 114.7 | G388 A393 L394 I417 H420 I421 L831 | G388-Y390 VanDerWaalsContact C-N 3.34Å; G388-Y390 WeakPolarHBondContact O-CD2 3.25Å; G388-Y390 PolarHBondContact O-N 3.38Å; Y390-A393 PolarHBondContact O-N 2.94Å; Y390-L394 WeakPolarHBondContact O-CG 3.31Å; Y390-L394 PolarHBondContact O-N 3.2Å; Y390-I417 HydrophobicContact CD1-CG2 4.46Å; Y390-H420 HydrophobicContact CD1-CB 4.47Å; Y390-H420 HydrophobicContact CE1-CB 3.7Å; Y390-I421 HydrophobicContact CD1-CG1 4.02Å; Y390-I421 HydrophobicContact CD2-CG1 3.94Å; Y390-I421 HydrophobicContact CG-CD1 4.38Å; Y390-I421 HydrophobicContact CG-CG1 3.58Å; Y390-L831 HydrophobicContact CD2-CD2 4.25Å; Y390-L831 HydrophobicContact CE2-CD2 4Å |
| 391 | S | 90.3 | Very high | 94.5 | Very high | 75 Ų | 75 | 35.9 Ų | 35.9 | 52% | 0.524 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.1 | -52.7 | 177.1 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | Q389 A393 L394 D395 | Q389-S391 PolarHBondContact O-N 2.86Å; S391-A393 VanDerWaalsContact C-N 3.31Å; S391-A393 PolarHBondContact O-N 3.24Å; S391-L394 WeakPolarHBondContact O-CA 3.46Å; S391-L394 WeakPolarHBondContact O-CB 3.1Å; S391-L394 PolarHBondContact O-N 2.98Å; S391-D395 PolarHBondContact O-N 3.3Å |
| 392 | L | 93.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 40 Ų | 40 | 29% | 0.288 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 178.5 | -170.2 | 58.5 | 0 | 0 | 0 | 111.5 | F384 L394 D395 Y396 | F384-L392 HydrophobicContact CD1-CD2 3.64Å; F384-L392 HydrophobicContact CD1-CG 4.38Å; F384-L392 HydrophobicContact CD2-CD2 3.76Å; F384-L392 HydrophobicContact CD2-CG 3.82Å; F384-L392 HydrophobicContact CE1-CD2 3.51Å; F384-L392 HydrophobicContact CE2-CD2 3.64Å; F384-L392 HydrophobicContact CE2-CG 4.03Å; F384-L392 HydrophobicContact CG-CB 4.38Å; F384-L392 HydrophobicContact CG-CD2 3.77Å; F384-L392 HydrophobicContact CG-CG 4.02Å; F384-L392 HydrophobicContact CZ-CD2 3.51Å; F384-L392 HydrophobicContact CZ-CG 4.4Å; L392-L394 VanDerWaalsContact C-N 3.28Å; L392-L394 PolarHBondContact O-N 3.07Å; L392-D395 PolarHBondContact O-N 3.1Å; L392-Y396 HydrophobicContact CD1-CD2 4.06Å; L392-Y396 HydrophobicContact CD1-CE2 3.67Å; L392-Y396 HydrophobicContact CD2-CE2 4.3Å; L392-Y396 HydrophobicContact CG-CD2 3.92Å; L392-Y396 HydrophobicContact CG-CE2 3.71Å; L392-Y396 WeakPolarHBondContact O-CD2 3.49Å; L392-Y396 PolarHBondContact O-N 3.49Å |
| 393 | A | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F384 D385 Q389 Y390 S391 I397 I417 | F384-A393 HydrophobicContact CB-CB 3.93Å; D385-A393 HydrophobicContact CB-CB 4.27Å; Q389-A393 PolarHBondContact O-N 2.7Å; Q389-A393 VanDerWaalsContact O-N 3.12Å; Y390-A393 PolarHBondContact O-N 2.94Å; S391-A393 VanDerWaalsContact C-N 3.31Å; S391-A393 PolarHBondContact O-N 3.24Å; A393-I397 PolarHBondContact O-N 3.27Å; A393-I397 VanDerWaalsContact O-N 3.09Å; A393-I417 HydrophobicContact CB-CD1 3.88Å; A393-I417 HydrophobicContact CB-CG1 4.3Å; A393-I417 HydrophobicContact CB-CG2 4.44Å |
| 394 | L | 95.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 175.2 | -75.7 | 173.8 | 0 | 0 | 0 | 111.9 | Y390 S391 L392 Y396 I397 N398 K414 I417 Y418 I421 | Y390-L394 WeakPolarHBondContact O-CG 3.31Å; Y390-L394 PolarHBondContact O-N 3.2Å; S391-L394 WeakPolarHBondContact O-CA 3.46Å; S391-L394 WeakPolarHBondContact O-CB 3.1Å; S391-L394 PolarHBondContact O-N 2.98Å; L392-L394 VanDerWaalsContact C-N 3.28Å; L392-L394 PolarHBondContact O-N 3.07Å; L394-Y396 VanDerWaalsContact C-N 3.35Å; L394-Y396 PolarHBondContact O-N 3.45Å; L394-I397 HydrophobicContact CD2-CG2 4.37Å; L394-I397 WeakPolarHBondContact O-CG2 3.4Å; L394-I397 PolarHBondContact O-N 2.87Å; L394-N398 WeakPolarHBondContact O-CB 3.08Å; L394-N398 PolarHBondContact O-N 2.95Å; L394-N398 PolarHBondContact O-ND2 2.96Å; L394-K414 HydrophobicContact CD2-CG 4.42Å; L394-I417 HydrophobicContact CD2-CB 4.3Å; L394-I417 HydrophobicContact CD2-CD1 4.49Å; L394-I417 HydrophobicContact CD2-CG2 3.84Å; L394-I417 HydrophobicContact CG-CG2 3.86Å; L394-Y418 HydrophobicContact CD1-CE1 4.41Å; L394-Y418 HydrophobicContact CD2-CD2 4.32Å; L394-Y418 HydrophobicContact CD2-CE2 3.79Å; L394-I421 HydrophobicContact CD1-CD1 3.9Å |
| 395 | D | 96.1 | Very high | 94.1 | Very high | 100 Ų | 100 | 48.2 Ų | 48.2 | 54% | 0.535 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 177.6 | -64.1 | -27 | 0 | 0 | 0 | 110.8 | S391 L392 N398 A399 | S391-D395 PolarHBondContact O-N 3.3Å; L392-D395 PolarHBondContact O-N 3.1Å; D395-N398 PolarHBondContact O-N 3.18Å; D395-A399 WeakPolarHBondContact O-CB 3.23Å; D395-A399 PolarHBondContact O-N 3.22Å |
| 396 | Y | 97.3 | Very high | 94.1 | Very high | 32 Ų | 32 | 53 Ų | 53 | 13% | 0.125 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 175.8 | -85.1 | -68 | 0 | 0 | 0 | 113.2 | E350 Q377 L380 F384 L392 L394 N398 A399 A400 | E350-Y396 VanDerWaalsContact CD-CE1 3.42Å; E350-Y396 VanDerWaalsContact OE1-CE1 3.31Å; E350-Y396 WeakPolarHBondContact OE1-CE1 3.24Å; E350-Y396 WeakPolarHBondContact OE2-CE1 3.47Å; E350-Y396 PolarHBondContact OE2-OH 3.35Å; Q377-Y396 HydrophobicContact CB-CD1 4.37Å; Q377-Y396 HydrophobicContact CG-CD1 4.32Å; L380-Y396 HydrophobicContact CB-CD1 3.91Å; L380-Y396 HydrophobicContact CB-CD2 4.17Å; L380-Y396 HydrophobicContact CB-CE1 3.95Å; L380-Y396 HydrophobicContact CB-CE2 4.25Å; L380-Y396 HydrophobicContact CB-CG 4.02Å; L380-Y396 HydrophobicContact CD1-CD1 4.18Å; L380-Y396 HydrophobicContact CD1-CE1 3.49Å; L380-Y396 VanDerWaalsContact CD1-CE1 3.49Å; L380-Y396 HydrophobicContact CG-CE1 4.35Å; F384-Y396 AromaticContact CD2-CD2 3.66Å; F384-Y396 HydrophobicContact CD2-CD2 3.66Å; F384-Y396 AromaticContact CD2-CE2 3.63Å; F384-Y396 HydrophobicContact CD2-CE2 3.63Å; F384-Y396 AromaticContact CE2-CD2 3.87Å; F384-Y396 HydrophobicContact CE2-CD2 3.87Å; F384-Y396 AromaticContact CE2-CE2 3.32Å; F384-Y396 HydrophobicContact CE2-CE2 3.32Å; F384-Y396 HydrophobicContact CZ-CE2 4.4Å; L392-Y396 HydrophobicContact CD1-CD2 4.06Å; L392-Y396 HydrophobicContact CD1-CE2 3.67Å; L392-Y396 HydrophobicContact CD2-CE2 4.3Å; L392-Y396 HydrophobicContact CG-CD2 3.92Å; L392-Y396 HydrophobicContact CG-CE2 3.71Å; L392-Y396 WeakPolarHBondContact O-CD2 3.49Å; L392-Y396 PolarHBondContact O-N 3.49Å; L394-Y396 VanDerWaalsContact C-N 3.35Å; L394-Y396 PolarHBondContact O-N 3.45Å; Y396-N398 VanDerWaalsContact C-N 3.35Å; Y396-A399 PolarHBondContact O-N 3.29Å; Y396-A400 PolarHBondContact O-N 3.27Å |
| 397 | I | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.8 | -33.7 | -177.5 | -157.4 | 61.3 | 0 | 0 | 0 | 111.9 | Y378 A381 A393 L394 A400 I401 L410 M413 K414 I417 | Y378-I397 HydrophobicContact CD2-CD1 4.09Å; A381-I397 HydrophobicContact CB-CB 4Å; A381-I397 HydrophobicContact CB-CD1 4.07Å; A393-I397 PolarHBondContact O-N 3.27Å; A393-I397 VanDerWaalsContact O-N 3.09Å; L394-I397 HydrophobicContact CD2-CG2 4.37Å; L394-I397 WeakPolarHBondContact O-CG2 3.4Å; L394-I397 PolarHBondContact O-N 2.87Å; I397-A400 PolarHBondContact O-N 3.33Å; I397-I401 HydrophobicContact CG1-CD1 4.27Å; I397-I401 VanDerWaalsContact O-CG1 3.24Å; I397-I401 WeakPolarHBondContact O-CG1 3.36Å; I397-I401 PolarHBondContact O-N 3.48Å; I397-L410 HydrophobicContact CD1-CB 4.19Å; I397-L410 HydrophobicContact CD1-CD2 3.98Å; I397-L410 WeakPolarHBondContact CG1-O 3.29Å; I397-M413 HydrophobicContact CD1-CB 3.94Å; I397-M413 HydrophobicContact CD1-CG 4.14Å; I397-M413 HydrophobicContact CG1-CB 4.35Å; I397-K414 HydrophobicContact CG1-CB 4.16Å; I397-K414 HydrophobicContact CG2-CB 4.07Å; I397-K414 HydrophobicContact CG2-CD 4.3Å; I397-K414 HydrophobicContact CG2-CG 4.1Å; I397-I417 HydrophobicContact CB-CD1 4.23Å; I397-I417 HydrophobicContact CG2-CD1 3.94Å |
| 398 | N | 97 | Very high | 94.4 | Very high | 60 Ų | 60 | 48.5 Ų | 48.5 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 176.2 | -72.1 | -31.5 | 0 | 0 | 0 | 111.2 | L394 D395 Y396 I401 A402 K414 | L394-N398 WeakPolarHBondContact O-CB 3.08Å; L394-N398 PolarHBondContact O-N 2.95Å; L394-N398 PolarHBondContact O-ND2 2.96Å; D395-N398 PolarHBondContact O-N 3.18Å; Y396-N398 VanDerWaalsContact C-N 3.35Å; N398-I401 PolarHBondContact O-N 2.86Å; N398-A402 WeakPolarHBondContact O-CB 3.31Å; N398-A402 PolarHBondContact O-N 3.39Å; N398-K414 WeakPolarHBondContact OD1-CE 3.34Å; N398-K414 PolarHBondContact OD1-NZ 3.3Å |
| 399 | A | 95.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 37% | 0.372 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D395 Y396 A402 S403 | D395-A399 WeakPolarHBondContact O-CB 3.23Å; D395-A399 PolarHBondContact O-N 3.22Å; Y396-A399 PolarHBondContact O-N 3.29Å; A399-A402 PolarHBondContact O-N 2.9Å; A399-S403 PolarHBondContact O-N 3.26Å; A399-S403 VanDerWaalsContact O-N 3.07Å; A399-S403 PolarHBondContact O-OG 2.83Å |
| 400 | A | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L374 Q377 Y396 I397 A402 S403 T404 L410 | L374-A400 HydrophobicContact CD1-CB 3.78Å; Q377-A400 HydrophobicContact CB-CB 4.38Å; Y396-A400 PolarHBondContact O-N 3.27Å; I397-A400 PolarHBondContact O-N 3.33Å; A400-A402 VanDerWaalsContact C-N 3.35Å; A400-S403 PolarHBondContact O-N 3.45Å; A400-S403 PolarHBondContact O-OG 3.13Å; A400-T404 PolarHBondContact O-N 3.15Å; A400-L410 HydrophobicContact CB-CD1 4.2Å; A400-L410 HydrophobicContact CB-CD2 3.97Å; A400-L410 WeakPolarHBondContact O-CD1 3.38Å |
| 401 | I | 96.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 175.9 | -69 | 165.7 | 0 | 0 | 0 | 110.4 | I397 N398 S403 T404 P405 L410 F411 K414 | I397-I401 HydrophobicContact CG1-CD1 4.27Å; I397-I401 VanDerWaalsContact O-CG1 3.24Å; I397-I401 WeakPolarHBondContact O-CG1 3.36Å; I397-I401 PolarHBondContact O-N 3.48Å; N398-I401 PolarHBondContact O-N 2.86Å; I401-S403 VanDerWaalsContact C-N 3.29Å; I401-S403 PolarHBondContact O-N 3.3Å; I401-T404 CarbonylContact O-C 3.58Å; I401-T404 PolarHBondContact O-N 2.83Å; I401-P405 VanDerWaalsContact O-CA 3.29Å; I401-P405 WeakPolarHBondContact O-CA 3.48Å; I401-P405 WeakPolarHBondContact O-CB 3.44Å; I401-P405 WeakPolarHBondContact O-CD 3.01Å; I401-P405 VanDerWaalsContact O-N 3.08Å; I401-L410 HydrophobicContact CD1-CB 4.32Å; I401-L410 HydrophobicContact CG1-CB 3.56Å; I401-L410 HydrophobicContact CG1-CD1 4.13Å; I401-L410 HydrophobicContact CG1-CG 4.49Å; I401-F411 HydrophobicContact CG2-CE1 4.28Å; I401-F411 HydrophobicContact CG2-CZ 3.93Å; I401-K414 HydrophobicContact CD1-CB 4.26Å; I401-K414 HydrophobicContact CD1-CD 3.55Å |
| 402 | A | 95.8 | Very high | 95.7 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 70% | 0.702 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.9 | -35.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N398 A399 A400 | N398-A402 WeakPolarHBondContact O-CB 3.31Å; N398-A402 PolarHBondContact O-N 3.39Å; A399-A402 PolarHBondContact O-N 2.9Å; A400-A402 VanDerWaalsContact C-N 3.35Å |
| 403 | S | 94.1 | Very high | 95.9 | Very high | 71 Ų | 71 | 40.7 Ų | 40.7 | 50% | 0.497 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -76.2 | -35.7 | 175.5 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | A399 A400 I401 | A399-S403 PolarHBondContact O-N 3.26Å; A399-S403 VanDerWaalsContact O-N 3.07Å; A399-S403 PolarHBondContact O-OG 2.83Å; A400-S403 PolarHBondContact O-N 3.45Å; A400-S403 PolarHBondContact O-OG 3.13Å; I401-S403 VanDerWaalsContact C-N 3.29Å; I401-S403 PolarHBondContact O-N 3.3Å |
| 404 | T | 94.4 | Very high | 96 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | trans | -144.8 | 79.3 | -175.4 | -49.1 | 0 | 0 | 0 | 0 | 111 | L374 A400 I401 T406 L407 L410 | L374-T404 HydrophobicContact CD2-CG2 4.28Å; A400-T404 PolarHBondContact O-N 3.15Å; I401-T404 CarbonylContact O-C 3.58Å; I401-T404 PolarHBondContact O-N 2.83Å; T404-T406 PolarHBondContact O-N 3.24Å; T404-L407 HydrophobicContact CG2-CB 4.33Å; T404-L407 PolarHBondContact O-N 3.45Å; T404-L410 WeakPolarHBondContact O-CD1 3.26Å | ||
| 405 | P | 94.5 | Very high | 96 | Very high | 74 Ų | 74 | 41 Ų | 41 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 4 | -173.6 | 31 | -36.8 | 0 | 0 | 0 | 114 | I401 F411 | I401-P405 VanDerWaalsContact O-CA 3.29Å; I401-P405 WeakPolarHBondContact O-CA 3.48Å; I401-P405 WeakPolarHBondContact O-CB 3.44Å; I401-P405 WeakPolarHBondContact O-CD 3.01Å; I401-P405 VanDerWaalsContact O-N 3.08Å; P405-F411 WeakPolarHBondContact O-CE2 3.49Å; P405-F411 WeakPolarHBondContact O-CZ 3.31Å |
| 406 | T | 93.7 | Very high | 96 | Very high | 109 Ų | 109 | 38.1 Ų | 38.1 | 67% | 0.669 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -9.4 | -179.5 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | T404 | T404-T406 PolarHBondContact O-N 3.24Š|
| 407 | L | 94.9 | Very high | 95.9 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 19% | 0.194 | 22% | 0.219 | C | C | . | . | trans | -87.7 | 112 | -176.5 | -175.3 | 65.8 | 0 | 0 | 0 | 111.5 | L374 W375 T404 E409 L410 F411 | L374-L407 HydrophobicContact CD2-CD2 3.97Å; W375-L407 HydrophobicContact CH2-CD2 3.95Å; W375-L407 HydrophobicContact CZ2-CD2 4.21Å; W375-L407 HydrophobicContact CZ3-CD2 4.48Å; T404-L407 HydrophobicContact CG2-CB 4.33Å; T404-L407 PolarHBondContact O-N 3.45Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-E409 WeakPolarHBondContact CD1-OE2 3.46Å; L407-E409 HydrophobicContact CG-CB 4.42Å; L407-E409 PolarHBondContact O-N 3.3Å; L407-L410 HydrophobicContact CB-CD1 3.88Å; L407-L410 HydrophobicContact CB-CG 3.91Å; L407-L410 HydrophobicContact CD2-CD1 4.21Å; L407-L410 HydrophobicContact CD2-CD2 4Å; L407-L410 HydrophobicContact CD2-CG 3.85Å; L407-L410 HydrophobicContact CG-CD1 4.44Å; L407-L410 HydrophobicContact CG-CG 4.02Å; L407-L410 WeakPolarHBondContact O-CB 3.33Å; L407-L410 PolarHBondContact O-N 3.01Å; L407-L410 VanDerWaalsContact O-N 3.15Å; L407-F411 WeakPolarHBondContact O-CD2 3.17Å | ||
| 408 | I | 95.7 | Very high | 95.8 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -38.6 | -173.6 | -60.2 | 163.2 | 0 | 0 | 0 | 112.1 | L410 F411 Y412 A434 L437 D438 I444 | I408-L410 PolarHBondContact O-N 3.45Å; I408-L410 VanDerWaalsContact O-N 3.13Å; I408-F411 PolarHBondContact O-N 2.83Å; I408-Y412 PolarHBondContact O-N 3.49Å; I408-A434 HydrophobicContact CG2-CB 4.21Å; I408-L437 HydrophobicContact CG1-CB 3.99Å; I408-L437 HydrophobicContact CG1-CD1 4.44Å; I408-D438 HydrophobicContact CD1-CB 3.53Å; I408-I444 HydrophobicContact CG2-CD1 3.94Å; I408-I444 HydrophobicContact CG2-CG1 4.19Å |
| 409 | E | 95.4 | Very high | 95.6 | Very high | 66 Ų | 66 | 38.6 Ų | 38.6 | 31% | 0.308 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.8 | -30.2 | -179.8 | -74.3 | 82 | 174.3 | 0 | 0 | 112.6 | P323 Y378 L407 M413 | P323-E409 HydrophobicContact CB-CG 4.35Å; Y378-E409 HydrophobicContact CE2-CB 4.02Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-E409 WeakPolarHBondContact CD1-OE2 3.46Å; L407-E409 HydrophobicContact CG-CB 4.42Å; L407-E409 PolarHBondContact O-N 3.3Å; E409-M413 WeakPolarHBondContact O-CB 3.3Å; E409-M413 PolarHBondContact O-N 3.28Å |
| 410 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69 | -46.5 | -179.8 | -54.1 | -179.6 | 0 | 0 | 0 | 111.4 | L374 Y378 I397 A400 I401 T404 L407 I408 M413 K414 | L374-L410 HydrophobicContact CD1-CD1 4.11Å; L374-L410 HydrophobicContact CD1-CD2 4.34Å; Y378-L410 HydrophobicContact CD2-CD2 3.66Å; Y378-L410 HydrophobicContact CE2-CD2 4.4Å; Y378-L410 HydrophobicContact CG-CD2 4.3Å; I397-L410 HydrophobicContact CD1-CB 4.19Å; I397-L410 HydrophobicContact CD1-CD2 3.98Å; I397-L410 WeakPolarHBondContact CG1-O 3.29Å; A400-L410 HydrophobicContact CB-CD1 4.2Å; A400-L410 HydrophobicContact CB-CD2 3.97Å; A400-L410 WeakPolarHBondContact O-CD1 3.38Å; I401-L410 HydrophobicContact CD1-CB 4.32Å; I401-L410 HydrophobicContact CG1-CB 3.56Å; I401-L410 HydrophobicContact CG1-CD1 4.13Å; I401-L410 HydrophobicContact CG1-CG 4.49Å; T404-L410 WeakPolarHBondContact O-CD1 3.26Å; L407-L410 HydrophobicContact CB-CD1 3.88Å; L407-L410 HydrophobicContact CB-CG 3.91Å; L407-L410 HydrophobicContact CD2-CD1 4.21Å; L407-L410 HydrophobicContact CD2-CD2 4Å; L407-L410 HydrophobicContact CD2-CG 3.85Å; L407-L410 HydrophobicContact CG-CD1 4.44Å; L407-L410 HydrophobicContact CG-CG 4.02Å; L407-L410 WeakPolarHBondContact O-CB 3.33Å; L407-L410 PolarHBondContact O-N 3.01Å; L407-L410 VanDerWaalsContact O-N 3.15Å; I408-L410 PolarHBondContact O-N 3.45Å; I408-L410 VanDerWaalsContact O-N 3.13Å; L410-M413 PolarHBondContact O-N 3.21Å; L410-K414 WeakPolarHBondContact O-CB 3.49Å; L410-K414 PolarHBondContact O-N 3.31Å |
| 411 | F | 97.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 176.1 | -63.1 | -95.5 | 0 | 0 | 0 | 111.2 | I401 P405 L407 I408 M413 K414 A415 W430 E433 A434 L437 | I401-F411 HydrophobicContact CG2-CE1 4.28Å; I401-F411 HydrophobicContact CG2-CZ 3.93Å; P405-F411 WeakPolarHBondContact O-CE2 3.49Å; P405-F411 WeakPolarHBondContact O-CZ 3.31Å; L407-F411 WeakPolarHBondContact O-CD2 3.17Å; I408-F411 PolarHBondContact O-N 2.83Å; F411-M413 VanDerWaalsContact C-N 3.31Å; F411-M413 PolarHBondContact O-N 3.39Å; F411-K414 PolarHBondContact O-N 3.39Å; F411-A415 WeakPolarHBondContact O-CB 3.32Å; F411-A415 PolarHBondContact O-N 3.28Å; F411-W430 HydrophobicContact CD1-CE3 4.02Å; F411-W430 HydrophobicContact CD1-CZ3 4.29Å; F411-W430 HydrophobicContact CE1-CZ3 4.38Å; F411-E433 HydrophobicContact CD1-CB 4.21Å; F411-A434 HydrophobicContact CB-CB 3.66Å; F411-L437 HydrophobicContact CD2-CD1 3.61Å; F411-L437 HydrophobicContact CE2-CD1 3.53Å; F411-L437 HydrophobicContact CG-CD1 4.28Å; F411-L437 HydrophobicContact CZ-CD1 4.13Å |
| 412 | Y | 96.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 39 Ų | 39 | 19% | 0.188 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 172.8 | 174.1 | -100.5 | 0 | 0 | 0 | 112 | I408 A415 K416 M431 I444 K447 | I408-Y412 PolarHBondContact O-N 3.49Å; Y412-A415 PolarHBondContact O-N 2.84Å; Y412-K416 WeakPolarHBondContact O-CB 3.44Å; Y412-K416 PolarHBondContact O-N 3.06Å; Y412-M431 HydrophobicContact CD2-CE 3.91Å; Y412-M431 HydrophobicContact CD2-SD 3.55Å; Y412-M431 VanDerWaalsContact CD2-SD 3.55Å; Y412-M431 HydrophobicContact CE2-CE 4.49Å; Y412-M431 HydrophobicContact CE2-SD 4.14Å; Y412-M431 HydrophobicContact CG-SD 4.49Å; Y412-I444 HydrophobicContact CD2-CD1 4.25Å; Y412-K447 HydrophobicContact CE2-CB 4.43Å; Y412-K447 HydrophobicContact CE2-CD 4.02Å; Y412-K447 HydrophobicContact CE2-CG 4.06Å; Y412-K447 PolarHBondContact OH-NZ 2.85Å |
| 413 | M | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.1 | -41.6 | 178.4 | -172.1 | 59.8 | -145.1 | 0 | 0 | 111.7 | Y378 Q382 D385 I397 E409 L410 F411 A415 K416 I417 | Y378-M413 HydrophobicContact CD2-CB 4.44Å; Y378-M413 HydrophobicContact CE2-CB 3.76Å; Y378-M413 HydrophobicContact CE2-CG 4.2Å; Q382-M413 HydrophobicContact CB-SD 4.49Å; Q382-M413 HydrophobicContact CG-CE 4.05Å; Q382-M413 HydrophobicContact CG-CG 4.04Å; Q382-M413 HydrophobicContact CG-SD 3.47Å; Q382-M413 WeakPolarHBondContact CG-SD 3.37Å; D385-M413 HydrophobicContact CB-CE 3.56Å; D385-M413 VanDerWaalsContact OD2-CE 3.23Å; D385-M413 WeakPolarHBondContact OD2-CE 3.19Å; I397-M413 HydrophobicContact CD1-CB 3.94Å; I397-M413 HydrophobicContact CD1-CG 4.14Å; I397-M413 HydrophobicContact CG1-CB 4.35Å; E409-M413 WeakPolarHBondContact O-CB 3.3Å; E409-M413 PolarHBondContact O-N 3.28Å; L410-M413 PolarHBondContact O-N 3.21Å; F411-M413 VanDerWaalsContact C-N 3.31Å; F411-M413 PolarHBondContact O-N 3.39Å; M413-A415 VanDerWaalsContact C-N 3.34Å; M413-A415 PolarHBondContact O-N 3.08Å; M413-K416 HydrophobicContact CE-CB 4.46Å; M413-K416 HydrophobicContact CE-CD 4.15Å; M413-K416 HydrophobicContact CE-CG 4.4Å; M413-K416 WeakPolarHBondContact O-CA 3.41Å; M413-K416 WeakPolarHBondContact O-CB 3.3Å; M413-K416 PolarHBondContact O-N 2.75Å; M413-K416 HydrophobicContact SD-CB 4.34Å; M413-K416 HydrophobicContact SD-CD 3.88Å; M413-I417 HydrophobicContact CE-CD1 4.13Å; M413-I417 HydrophobicContact CE-CG1 3.62Å; M413-I417 HydrophobicContact CG-CD1 4.39Å; M413-I417 WeakPolarHBondContact O-CG1 3.39Å; M413-I417 PolarHBondContact O-N 2.75Å |
| 414 | K | 97.5 | Very high | 94.4 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58 | -46 | 174 | -172.1 | 167 | -178.8 | 179.2 | 0 | 111.8 | L394 I397 N398 I401 L410 F411 K416 I417 Y418 W430 | L394-K414 HydrophobicContact CD2-CG 4.42Å; I397-K414 HydrophobicContact CG1-CB 4.16Å; I397-K414 HydrophobicContact CG2-CB 4.07Å; I397-K414 HydrophobicContact CG2-CD 4.3Å; I397-K414 HydrophobicContact CG2-CG 4.1Å; N398-K414 WeakPolarHBondContact OD1-CE 3.34Å; N398-K414 PolarHBondContact OD1-NZ 3.3Å; I401-K414 HydrophobicContact CD1-CB 4.26Å; I401-K414 HydrophobicContact CD1-CD 3.55Å; L410-K414 WeakPolarHBondContact O-CB 3.49Å; L410-K414 PolarHBondContact O-N 3.31Å; F411-K414 PolarHBondContact O-N 3.39Å; K414-K416 VanDerWaalsContact C-N 3.3Å; K414-K416 PolarHBondContact O-N 2.82Å; K414-I417 PolarHBondContact O-N 3.48Å; K414-Y418 HydrophobicContact CG-CD2 4.11Å; K414-Y418 HydrophobicContact CG-CE2 3.91Å; K414-Y418 VanDerWaalsContact O-CD2 3.31Å; K414-Y418 WeakPolarHBondContact O-CD2 3.27Å; K414-Y418 PolarHBondContact O-N 3.11Å; K414-Y418 VanDerWaalsContact O-N 3.09Å; K414-W430 HydrophobicContact CD-CD2 3.71Å; K414-W430 HydrophobicContact CD-CE3 3.8Å; K414-W430 HydrophobicContact CD-CG 4.31Å; K414-W430 HydrophobicContact CD-CH2 4.24Å; K414-W430 HydrophobicContact CD-CZ2 4.13Å; K414-W430 HydrophobicContact CD-CZ3 4.05Å; K414-W430 HydrophobicContact CG-CD2 4.02Å; K414-W430 HydrophobicContact CG-CE3 4.49Å; K414-W430 HydrophobicContact CG-CG 4.08Å |
| 415 | A | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.9 | -42.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F411 Y412 M413 I417 Y418 K419 A427 W430 M431 Y451 | F411-A415 WeakPolarHBondContact O-CB 3.32Å; F411-A415 PolarHBondContact O-N 3.28Å; Y412-A415 PolarHBondContact O-N 2.84Å; M413-A415 VanDerWaalsContact C-N 3.34Å; M413-A415 PolarHBondContact O-N 3.08Å; A415-I417 PolarHBondContact O-N 2.67Å; A415-Y418 PolarHBondContact O-N 3.43Å; A415-K419 WeakPolarHBondContact O-CB 3.39Å; A415-K419 PolarHBondContact O-N 2.92Å; A415-A427 VanDerWaalsContact CB-O 3.32Å; A415-A427 WeakPolarHBondContact CB-O 3.44Å; A415-A427 VanDerWaalsContact O-CB 3.31Å; A415-A427 WeakPolarHBondContact O-CB 3.38Å; A415-W430 HydrophobicContact CB-CB 3.76Å; A415-M431 HydrophobicContact CB-CB 4.46Å; A415-M431 HydrophobicContact CB-CG 3.6Å; A415-M431 HydrophobicContact CB-SD 3.67Å; A415-Y451 HydrophobicContact CB-CD1 4.41Å; A415-Y451 HydrophobicContact CB-CE1 3.94Å |
| 416 | K | 96 | Very high | 94.3 | Very high | 39 Ų | 39 | 41 Ų | 41 | 17% | 0.17 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 178.3 | -177.7 | 179.3 | 160.1 | -153.5 | 0 | 112.6 | Y412 M413 K414 K419 H420 | Y412-K416 WeakPolarHBondContact O-CB 3.44Å; Y412-K416 PolarHBondContact O-N 3.06Å; M413-K416 HydrophobicContact CE-CB 4.46Å; M413-K416 HydrophobicContact CE-CD 4.15Å; M413-K416 HydrophobicContact CE-CG 4.4Å; M413-K416 WeakPolarHBondContact O-CA 3.41Å; M413-K416 WeakPolarHBondContact O-CB 3.3Å; M413-K416 PolarHBondContact O-N 2.75Å; M413-K416 HydrophobicContact SD-CB 4.34Å; M413-K416 HydrophobicContact SD-CD 3.88Å; K414-K416 VanDerWaalsContact C-N 3.3Å; K414-K416 PolarHBondContact O-N 2.82Å; K416-K419 WeakPolarHBondContact O-CB 3.37Å; K416-K419 PolarHBondContact O-N 3.25Å; K416-H420 PolarHBondContact O-N 3.15Å |
| 417 | I | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.8 | -52.5 | 174.2 | -63.7 | 163.6 | 0 | 0 | 0 | 109.7 | D385 Y390 A393 L394 I397 M413 K414 A415 K419 H420 I421 | D385-I417 HydrophobicContact CB-CG1 4.04Å; Y390-I417 HydrophobicContact CD1-CG2 4.46Å; A393-I417 HydrophobicContact CB-CD1 3.88Å; A393-I417 HydrophobicContact CB-CG1 4.3Å; A393-I417 HydrophobicContact CB-CG2 4.44Å; L394-I417 HydrophobicContact CD2-CB 4.3Å; L394-I417 HydrophobicContact CD2-CD1 4.49Å; L394-I417 HydrophobicContact CD2-CG2 3.84Å; L394-I417 HydrophobicContact CG-CG2 3.86Å; I397-I417 HydrophobicContact CB-CD1 4.23Å; I397-I417 HydrophobicContact CG2-CD1 3.94Å; M413-I417 HydrophobicContact CE-CD1 4.13Å; M413-I417 HydrophobicContact CE-CG1 3.62Å; M413-I417 HydrophobicContact CG-CD1 4.39Å; M413-I417 WeakPolarHBondContact O-CG1 3.39Å; M413-I417 PolarHBondContact O-N 2.75Å; K414-I417 PolarHBondContact O-N 3.48Å; A415-I417 PolarHBondContact O-N 2.67Å; I417-K419 PolarHBondContact O-N 2.85Å; I417-H420 PolarHBondContact O-N 2.74Å; I417-I421 HydrophobicContact CG2-CD1 3.84Å; I417-I421 HydrophobicContact CG2-CG1 4.33Å; I417-I421 WeakPolarHBondContact O-CG1 3.36Å; I417-I421 PolarHBondContact O-N 2.94Å |
| 418 | Y | 94.6 | Very high | 94.6 | Very high | 39 Ų | 39 | 34.2 Ų | 34.2 | 15% | 0.153 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.9 | -35.2 | 177 | -81.4 | -68.2 | 0 | 0 | 0 | 113.4 | L394 K414 A415 I421 G422 N423 E426 W430 | L394-Y418 HydrophobicContact CD1-CE1 4.41Å; L394-Y418 HydrophobicContact CD2-CD2 4.32Å; L394-Y418 HydrophobicContact CD2-CE2 3.79Å; K414-Y418 HydrophobicContact CG-CD2 4.11Å; K414-Y418 HydrophobicContact CG-CE2 3.91Å; K414-Y418 VanDerWaalsContact O-CD2 3.31Å; K414-Y418 WeakPolarHBondContact O-CD2 3.27Å; K414-Y418 PolarHBondContact O-N 3.11Å; K414-Y418 VanDerWaalsContact O-N 3.09Å; A415-Y418 PolarHBondContact O-N 3.43Å; Y418-I421 HydrophobicContact CD1-CD1 4.17Å; Y418-I421 WeakPolarHBondContact O-CB 3.39Å; Y418-I421 PolarHBondContact O-N 3.49Å; Y418-G422 PolarHBondContact O-N 2.99Å; Y418-N423 HydrophobicContact CD1-CB 4.3Å; Y418-N423 PolarHBondContact O-N 3.2Å; Y418-E426 HydrophobicContact CD1-CB 4.01Å; Y418-E426 HydrophobicContact CE1-CB 4.4Å; Y418-E426 HydrophobicContact CG-CB 4.13Å; Y418-W430 AromaticContact CD2-CD1 3.42Å; Y418-W430 VanDerWaalsContact CD2-CD1 3.42Å; Y418-W430 HydrophobicContact CD2-CG 4.46Å; Y418-W430 AromaticContact CD2-NE1 3.63Å; Y418-W430 AromaticContact CE2-CD1 3.6Å; Y418-W430 AromaticContact CE2-NE1 3.27Å; Y418-W430 VanDerWaalsContact CE2-NE1 3.27Å |
| 419 | K | 94.2 | Very high | 94.7 | Very high | 64 Ų | 64 | 37.8 Ų | 37.8 | 28% | 0.278 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.1 | -38.9 | 173.9 | -177.1 | -144.7 | 69.4 | -156.1 | 0 | 112 | A415 K416 I417 G422 L424 A427 Y451 | A415-K419 WeakPolarHBondContact O-CB 3.39Å; A415-K419 PolarHBondContact O-N 2.92Å; K416-K419 WeakPolarHBondContact O-CB 3.37Å; K416-K419 PolarHBondContact O-N 3.25Å; I417-K419 PolarHBondContact O-N 2.85Å; K419-G422 PolarHBondContact O-N 3.11Å; K419-L424 HydrophobicContact CG-CD2 3.92Å; K419-A427 HydrophobicContact CB-CB 3.96Å; K419-Y451 HydrophobicContact CB-CE1 3.86Å; K419-Y451 HydrophobicContact CD-CE1 4.23Å; K419-Y451 HydrophobicContact CD-CE2 4.32Å; K419-Y451 HydrophobicContact CG-CE1 4.28Å |
| 420 | H | 90.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 36.7 Ų | 36.7 | 27% | 0.273 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -72.7 | -33.7 | 175.8 | -66.6 | 159.2 | 0 | 0 | 0 | 112.9 | D385 Y390 K416 I417 G422 V798 | D385-H420 IonicContact OD1-CE1 2.66Å; D385-H420 IonicContact OD1-CG 3.32Å; D385-H420 IonicContact OD1-ND1 2.63Å; D385-H420 PolarHBondContact OD1-ND1 2.86Å; D385-H420 IonicContact OD2-CE1 2.72Å; D385-H420 PolarHBondContact OD2-CE1 3.15Å; D385-H420 IonicContact OD2-ND1 3.97Å; D385-H420 PolarHBondContact OD2-ND1 3.13Å; Y390-H420 HydrophobicContact CD1-CB 4.47Å; Y390-H420 HydrophobicContact CE1-CB 3.7Å; K416-H420 PolarHBondContact O-N 3.15Å; I417-H420 PolarHBondContact O-N 2.74Å; H420-G422 PolarHBondContact O-N 3.32Å; H420-V798 VanDerWaalsContact O-CG2 3.24Å; H420-V798 WeakPolarHBondContact O-CG2 3.19Å |
| 421 | I | 89.4 | Confident | 94.8 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -27.2 | 167.5 | -71.1 | 172.3 | 0 | 0 | 0 | 111.3 | Y390 L394 I417 Y418 N423 V798 F833 T834 | Y390-I421 HydrophobicContact CD1-CG1 4.02Å; Y390-I421 HydrophobicContact CD2-CG1 3.94Å; Y390-I421 HydrophobicContact CG-CD1 4.38Å; Y390-I421 HydrophobicContact CG-CG1 3.58Å; L394-I421 HydrophobicContact CD1-CD1 3.9Å; I417-I421 HydrophobicContact CG2-CD1 3.84Å; I417-I421 HydrophobicContact CG2-CG1 4.33Å; I417-I421 WeakPolarHBondContact O-CG1 3.36Å; I417-I421 PolarHBondContact O-N 2.94Å; Y418-I421 HydrophobicContact CD1-CD1 4.17Å; Y418-I421 WeakPolarHBondContact O-CB 3.39Å; Y418-I421 PolarHBondContact O-N 3.49Å; I421-N423 HydrophobicContact CG2-CB 4.43Å; I421-V798 WeakPolarHBondContact O-CG2 3.24Å; I421-F833 HydrophobicContact CD1-CB 4.47Å; I421-F833 HydrophobicContact CG2-CB 3.33Å; I421-F833 WeakPolarHBondContact CG2-O 3.3Å; I421-T834 WeakPolarHBondContact O-CB 3.48Å; I421-T834 PolarHBondContact O-OG1 3.49Å |
| 422 | G | 86.6 | Confident | 94.8 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 5.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y418 K419 H420 L424 S835 | Y418-G422 PolarHBondContact O-N 2.99Å; K419-G422 PolarHBondContact O-N 3.11Å; H420-G422 PolarHBondContact O-N 3.32Å; G422-L424 PolarHBondContact O-N 3.32Å; G422-S835 PolarHBondContact O-OG 3.09Å |
| 423 | N | 91.4 | Very high | 94.8 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 15% | 0.15 | 18% | 0.183 | C | C | . | . | trans | -87.4 | 83.2 | 171.2 | -165.7 | -24.8 | 0 | 0 | 0 | 110.4 | Y418 I421 R425 E426 A427 F833 | Y418-N423 HydrophobicContact CD1-CB 4.3Å; Y418-N423 PolarHBondContact O-N 3.2Å; I421-N423 HydrophobicContact CG2-CB 4.43Å; N423-R425 VanDerWaalsContact C-N 3.32Å; N423-R425 PolarHBondContact O-N 2.8Å; N423-E426 HydrophobicContact CB-CB 4.36Å; N423-E426 VanDerWaalsContact ND2-CG 3.31Å; N423-E426 WeakPolarHBondContact ND2-CG 2.98Å; N423-E426 WeakPolarHBondContact OD1-CG 3.39Å; N423-E426 PolarHBondContact OD1-N 3.11Å; N423-A427 WeakPolarHBondContact O-CB 3.44Å; N423-A427 PolarHBondContact O-N 3.48Å; N423-F833 WeakPolarHBondContact CB-O 3.46Å | ||
| 424 | L | 92.7 | Very high | 94.9 | Very high | 53 Ų | 53 | 40.7 Ų | 40.7 | 28% | 0.277 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.7 | -28.4 | -173.6 | -58.3 | 179.1 | 0 | 0 | 0 | 113.3 | K419 G422 A428 R454 A455 | K419-L424 HydrophobicContact CG-CD2 3.92Å; G422-L424 PolarHBondContact O-N 3.32Å; L424-A428 PolarHBondContact O-N 3.24Å; L424-R454 HydrophobicContact CD1-CB 4.45Å; L424-R454 VanDerWaalsContact CD1-O 3.29Å; L424-R454 WeakPolarHBondContact CD1-O 3.42Å; L424-A455 HydrophobicContact CB-CB 4.17Å |
| 425 | R | 93.6 | Very high | 94.8 | Very high | 178 Ų | 178 | 40 Ų | 40 | 67% | 0.672 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -70.8 | -48.1 | 178.1 | -71.3 | -171.9 | -178.9 | -141.1 | 3.5 | 111.4 | N423 A427 A428 K429 A455 | N423-R425 VanDerWaalsContact C-N 3.32Å; N423-R425 PolarHBondContact O-N 2.8Å; R425-A427 VanDerWaalsContact C-N 3.3Å; R425-A427 PolarHBondContact O-N 3.21Å; R425-A428 PolarHBondContact O-N 3.3Å; R425-K429 PolarHBondContact O-N 3.42Å; R425-K429 VanDerWaalsContact O-N 3.14Å; R425-A455 HydrophobicContact CG-CB 4.39Å |
| 426 | E | 94.8 | Very high | 94.8 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 25% | 0.252 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 174.2 | -70.4 | -54.8 | 133.5 | 0 | 0 | 111.3 | Y418 N423 A428 K429 W430 | Y418-E426 HydrophobicContact CD1-CB 4.01Å; Y418-E426 HydrophobicContact CE1-CB 4.4Å; Y418-E426 HydrophobicContact CG-CB 4.13Å; N423-E426 HydrophobicContact CB-CB 4.36Å; N423-E426 VanDerWaalsContact ND2-CG 3.31Å; N423-E426 WeakPolarHBondContact ND2-CG 2.98Å; N423-E426 WeakPolarHBondContact OD1-CG 3.39Å; N423-E426 PolarHBondContact OD1-N 3.11Å; E426-A428 VanDerWaalsContact C-N 3.27Å; E426-A428 PolarHBondContact O-N 2.83Å; E426-K429 WeakPolarHBondContact O-CB 3.4Å; E426-K429 PolarHBondContact O-N 2.84Å; E426-K429 VanDerWaalsContact O-N 3.15Å; E426-K429 WeakPolarHBondContact OE1-CE 3.17Å; E426-K429 IonicContact OE1-NZ 3.06Å; E426-K429 PolarHBondContact OE1-NZ 2.93Å; E426-K429 IonicContact OE2-NZ 3.01Å; E426-W430 PolarHBondContact O-N 2.88Å; E426-W430 VanDerWaalsContact O-N 3.14Å |
| 427 | A | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.5 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A415 K419 N423 R425 M431 Y451 | A415-A427 VanDerWaalsContact CB-O 3.32Å; A415-A427 WeakPolarHBondContact CB-O 3.44Å; A415-A427 VanDerWaalsContact O-CB 3.31Å; A415-A427 WeakPolarHBondContact O-CB 3.38Å; K419-A427 HydrophobicContact CB-CB 3.96Å; N423-A427 WeakPolarHBondContact O-CB 3.44Å; N423-A427 PolarHBondContact O-N 3.48Å; R425-A427 VanDerWaalsContact C-N 3.3Å; R425-A427 PolarHBondContact O-N 3.21Å; A427-M431 WeakPolarHBondContact O-CG 3.46Å; A427-M431 PolarHBondContact O-N 3.03Å; A427-Y451 HydrophobicContact CB-CD1 3.73Å; A427-Y451 HydrophobicContact CB-CE1 3.95Å |
| 428 | A | 97.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.2 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L424 R425 E426 M431 D432 M452 A455 | L424-A428 PolarHBondContact O-N 3.24Å; R425-A428 PolarHBondContact O-N 3.3Å; E426-A428 VanDerWaalsContact C-N 3.27Å; E426-A428 PolarHBondContact O-N 2.83Å; A428-M431 WeakPolarHBondContact O-CB 3.47Å; A428-M431 PolarHBondContact O-N 2.9Å; A428-D432 PolarHBondContact O-N 3.26Å; A428-M452 HydrophobicContact CB-CG 4.41Å; A428-A455 HydrophobicContact CB-CB 4.38Å |
| 429 | K | 97.5 | Very high | 94.9 | Very high | 114 Ų | 114 | 51 Ų | 51 | 50% | 0.496 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 175.6 | -66.9 | 176.8 | -177.3 | 173.7 | 0 | 112.2 | R425 E426 M431 D432 E433 | R425-K429 PolarHBondContact O-N 3.42Å; R425-K429 VanDerWaalsContact O-N 3.14Å; E426-K429 WeakPolarHBondContact O-CB 3.4Å; E426-K429 PolarHBondContact O-N 2.84Å; E426-K429 VanDerWaalsContact O-N 3.15Å; E426-K429 WeakPolarHBondContact OE1-CE 3.17Å; E426-K429 IonicContact OE1-NZ 3.06Å; E426-K429 PolarHBondContact OE1-NZ 2.93Å; E426-K429 IonicContact OE2-NZ 3.01Å; K429-M431 VanDerWaalsContact C-N 3.26Å; K429-M431 PolarHBondContact O-N 3.38Å; K429-D432 WeakPolarHBondContact O-CB 3.04Å; K429-D432 PolarHBondContact O-N 2.95Å; K429-E433 PolarHBondContact O-N 3.25Å |
| 430 | W | 97.8 | Very high | 95 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 17% | 0.167 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -30.3 | 178.3 | -67.7 | 109.1 | 0 | 0 | 0 | 112.8 | F411 K414 A415 Y418 E426 E433 A434 | F411-W430 HydrophobicContact CD1-CE3 4.02Å; F411-W430 HydrophobicContact CD1-CZ3 4.29Å; F411-W430 HydrophobicContact CE1-CZ3 4.38Å; K414-W430 HydrophobicContact CD-CD2 3.71Å; K414-W430 HydrophobicContact CD-CE3 3.8Å; K414-W430 HydrophobicContact CD-CG 4.31Å; K414-W430 HydrophobicContact CD-CH2 4.24Å; K414-W430 HydrophobicContact CD-CZ2 4.13Å; K414-W430 HydrophobicContact CD-CZ3 4.05Å; K414-W430 HydrophobicContact CG-CD2 4.02Å; K414-W430 HydrophobicContact CG-CE3 4.49Å; K414-W430 HydrophobicContact CG-CG 4.08Å; A415-W430 HydrophobicContact CB-CB 3.76Å; Y418-W430 AromaticContact CD2-CD1 3.42Å; Y418-W430 VanDerWaalsContact CD2-CD1 3.42Å; Y418-W430 HydrophobicContact CD2-CG 4.46Å; Y418-W430 AromaticContact CD2-NE1 3.63Å; Y418-W430 AromaticContact CE2-CD1 3.6Å; Y418-W430 AromaticContact CE2-NE1 3.27Å; Y418-W430 VanDerWaalsContact CE2-NE1 3.27Å; E426-W430 PolarHBondContact O-N 2.88Å; E426-W430 VanDerWaalsContact O-N 3.14Å; W430-E433 WeakPolarHBondContact CZ3-OE2 3.42Å; W430-A434 WeakPolarHBondContact O-CB 3.49Å; W430-A434 PolarHBondContact O-N 3.39Å |
| 431 | M | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.5 | -34.8 | 171.1 | -80 | -52.5 | -46.2 | 0 | 0 | 112.9 | Y412 A415 A427 A428 K429 A434 Q435 I444 K447 C448 Y451 | Y412-M431 HydrophobicContact CD2-CE 3.91Å; Y412-M431 HydrophobicContact CD2-SD 3.55Å; Y412-M431 VanDerWaalsContact CD2-SD 3.55Å; Y412-M431 HydrophobicContact CE2-CE 4.49Å; Y412-M431 HydrophobicContact CE2-SD 4.14Å; Y412-M431 HydrophobicContact CG-SD 4.49Å; A415-M431 HydrophobicContact CB-CB 4.46Å; A415-M431 HydrophobicContact CB-CG 3.6Å; A415-M431 HydrophobicContact CB-SD 3.67Å; A427-M431 WeakPolarHBondContact O-CG 3.46Å; A427-M431 PolarHBondContact O-N 3.03Å; A428-M431 WeakPolarHBondContact O-CB 3.47Å; A428-M431 PolarHBondContact O-N 2.9Å; K429-M431 VanDerWaalsContact C-N 3.26Å; K429-M431 PolarHBondContact O-N 3.38Å; M431-A434 WeakPolarHBondContact O-CB 3.49Å; M431-A434 PolarHBondContact O-N 3.19Å; M431-Q435 WeakPolarHBondContact O-CB 3.46Å; M431-Q435 PolarHBondContact O-N 3.21Å; M431-I444 HydrophobicContact CE-CD1 3.44Å; M431-I444 VanDerWaalsContact CE-CD1 3.44Å; M431-I444 HydrophobicContact CE-CG1 4.09Å; M431-K447 HydrophobicContact CE-CB 3.39Å; M431-K447 HydrophobicContact SD-CB 4.46Å; M431-C448 HydrophobicContact CB-CB 4.17Å; M431-C448 HydrophobicContact CE-CB 4.48Å; M431-Y451 HydrophobicContact CB-CD1 4.49Å; M431-Y451 HydrophobicContact CG-CD1 3.39Å; M431-Y451 HydrophobicContact CG-CD2 4.13Å; M431-Y451 HydrophobicContact CG-CE1 3.8Å; M431-Y451 HydrophobicContact CG-CG 3.57Å; M431-Y451 HydrophobicContact SD-CD1 4.47Å; M431-Y451 HydrophobicContact SD-CE1 4.34Å |
| 432 | D | 97.6 | Very high | 95.7 | Very high | 67 Ų | 67 | 57.2 Ų | 57.2 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.9 | -42 | 178 | -162.7 | 34 | 0 | 0 | 0 | 110.8 | A428 K429 A434 Q435 S436 C448 M452 M464 | A428-D432 PolarHBondContact O-N 3.26Å; K429-D432 WeakPolarHBondContact O-CB 3.04Å; K429-D432 PolarHBondContact O-N 2.95Å; D432-A434 PolarHBondContact O-N 3.16Å; D432-Q435 WeakPolarHBondContact O-CB 3.49Å; D432-Q435 PolarHBondContact O-N 3.02Å; D432-Q435 VanDerWaalsContact O-N 3.16Å; D432-S436 PolarHBondContact O-N 2.75Å; D432-C448 VanDerWaalsContact CA-SG 3.59Å; D432-M452 HydrophobicContact CB-CE 4.38Å; D432-M464 WeakPolarHBondContact OD1-CE 3.41Å |
| 433 | E | 96.7 | Very high | 96.2 | Very high | 80 Ų | 80 | 62.3 Ų | 62.3 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 168.9 | -70.8 | -177.7 | -160.7 | 0 | 0 | 111.4 | F411 K429 W430 Q435 S436 L437 | F411-E433 HydrophobicContact CD1-CB 4.21Å; K429-E433 PolarHBondContact O-N 3.25Å; W430-E433 WeakPolarHBondContact CZ3-OE2 3.42Å; E433-Q435 VanDerWaalsContact C-N 3.27Å; E433-Q435 PolarHBondContact O-N 3.24Å; E433-S436 PolarHBondContact O-N 3.24Å; E433-S436 VanDerWaalsContact O-N 3.08Å; E433-S436 PolarHBondContact O-OG 3.06Å; E433-L437 PolarHBondContact O-N 3.42Å |
| 434 | A | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.8 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I408 F411 W430 M431 D432 I444 | I408-A434 HydrophobicContact CG2-CB 4.21Å; F411-A434 HydrophobicContact CB-CB 3.66Å; W430-A434 WeakPolarHBondContact O-CB 3.49Å; W430-A434 PolarHBondContact O-N 3.39Å; M431-A434 WeakPolarHBondContact O-CB 3.49Å; M431-A434 PolarHBondContact O-N 3.19Å; D432-A434 PolarHBondContact O-N 3.16Å; A434-I444 HydrophobicContact CB-CD1 3.83Å; A434-I444 HydrophobicContact CB-CG1 4.04Å |
| 435 | Q | 97.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.7 | -35.2 | 176.9 | -169 | -76.8 | -66.9 | 0 | 0 | 111.9 | M431 D432 E433 L437 D438 I444 N445 C448 M464 | M431-Q435 WeakPolarHBondContact O-CB 3.46Å; M431-Q435 PolarHBondContact O-N 3.21Å; D432-Q435 WeakPolarHBondContact O-CB 3.49Å; D432-Q435 PolarHBondContact O-N 3.02Å; D432-Q435 VanDerWaalsContact O-N 3.16Å; E433-Q435 VanDerWaalsContact C-N 3.27Å; E433-Q435 PolarHBondContact O-N 3.24Å; Q435-L437 VanDerWaalsContact C-N 3.26Å; Q435-L437 PolarHBondContact O-N 2.83Å; Q435-D438 CarbonylContact O-C 3.58Å; Q435-D438 PolarHBondContact O-N 3.38Å; Q435-D438 VanDerWaalsContact O-O 3.04Å; Q435-I444 HydrophobicContact CB-CG1 4.37Å; Q435-I444 HydrophobicContact CB-CG2 4.45Å; Q435-I444 HydrophobicContact CG-CG2 4.33Å; Q435-N445 HydrophobicContact CG-CB 4.32Å; Q435-C448 HydrophobicContact CB-CB 4.15Å; Q435-C448 HydrophobicContact CG-CB 4.33Å; Q435-M464 HydrophobicContact CG-CE 4.35Å; Q435-M464 HydrophobicContact CG-SD 3.8Å; Q435-M464 PolarHBondContact OE1-SD 2.96Å |
| 436 | S | 96.6 | Very high | 97 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 53% | 0.531 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.5 | -26.2 | 179.6 | 76 | 0 | 0 | 0 | 0 | 113.3 | D432 E433 | D432-S436 PolarHBondContact O-N 2.75Å; E433-S436 PolarHBondContact O-N 3.24Å; E433-S436 VanDerWaalsContact O-N 3.08Å; E433-S436 PolarHBondContact O-OG 3.06Å |
| 437 | L | 95.8 | Very high | 97.1 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 41% | 0.414 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -72.9 | -26.7 | 176.8 | -67.1 | 174.3 | 0 | 0 | 0 | 113 | I408 F411 E433 Q435 | I408-L437 HydrophobicContact CG1-CB 3.99Å; I408-L437 HydrophobicContact CG1-CD1 4.44Å; F411-L437 HydrophobicContact CD2-CD1 3.61Å; F411-L437 HydrophobicContact CE2-CD1 3.53Å; F411-L437 HydrophobicContact CG-CD1 4.28Å; F411-L437 HydrophobicContact CZ-CD1 4.13Å; E433-L437 PolarHBondContact O-N 3.42Å; Q435-L437 VanDerWaalsContact C-N 3.26Å; Q435-L437 PolarHBondContact O-N 2.83Å |
| 438 | D | 95.9 | Very high | 97.2 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | trans | -142.4 | 94.5 | 172.2 | -174.1 | -7.4 | 0 | 0 | 0 | 110.9 | I408 Q435 A440 D441 | I408-D438 HydrophobicContact CD1-CB 3.53Å; Q435-D438 CarbonylContact O-C 3.58Å; Q435-D438 PolarHBondContact O-N 3.38Å; Q435-D438 VanDerWaalsContact O-O 3.04Å; D438-A440 PolarHBondContact O-N 3.31Å; D438-A440 WeakPolarHBondContact OD1-CB 3.49Å; D438-A440 PolarHBondContact OD1-N 3.14Å; D438-D441 PolarHBondContact OD1-N 3.03Å | ||
| 439 | T | 95.9 | Very high | 97.3 | Very high | 97 Ų | 97 | 51.4 Ų | 51.4 | 60% | 0.595 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -75.9 | -11.1 | 179.9 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 440 | A | 97.1 | Very high | 97.3 | Very high | 79 Ų | 79 | 48.8 Ų | 48.8 | 65% | 0.653 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -88.6 | -25.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D438 R442 F468 | D438-A440 PolarHBondContact O-N 3.31Å; D438-A440 WeakPolarHBondContact OD1-CB 3.49Å; D438-A440 PolarHBondContact OD1-N 3.14Å; A440-R442 PolarHBondContact O-N 3.44Å; A440-F468 WeakPolarHBondContact O-CE1 3.24Å; A440-F468 WeakPolarHBondContact O-CZ 3.4Å |
| 441 | D | 97.3 | Very high | 97.3 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | trans | -76.3 | 114.7 | 179.6 | 179.1 | 23.4 | 0 | 0 | 0 | 113.1 | D438 F443 I444 N445 | D438-D441 PolarHBondContact OD1-N 3.03Å; D441-F443 VanDerWaalsContact C-N 3.32Å; D441-F443 PolarHBondContact O-N 3.02Å; D441-F443 WeakPolarHBondContact OD1-CB 3.36Å; D441-F443 PolarHBondContact OD1-N 3.47Å; D441-I444 HydrophobicContact CB-CG2 3.95Å; D441-I444 WeakPolarHBondContact O-CG2 3.16Å; D441-I444 PolarHBondContact OD2-N 3.25Å; D441-N445 PolarHBondContact O-N 3.31Å | ||
| 442 | R | 97.8 | Very high | 97.4 | Very high | 123 Ų | 123 | 47.8 Ų | 47.8 | 46% | 0.464 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.2 | -25.8 | 176.1 | -165.5 | 175.3 | -174.6 | -177.3 | 5.7 | 112.9 | A440 S446 F468 | A440-R442 PolarHBondContact O-N 3.44Å; R442-S446 VanDerWaalsContact O-CB 3.3Å; R442-S446 WeakPolarHBondContact O-CB 3.47Å; R442-S446 PolarHBondContact O-N 2.84Å; R442-S446 PolarHBondContact O-OG 2.95Å; R442-F468 HydrophobicContact CB-CD1 3.88Å; R442-F468 HydrophobicContact CB-CE1 3.72Å; R442-F468 HydrophobicContact CB-CG 4.4Å; R442-F468 HydrophobicContact CB-CZ 4.13Å; R442-F468 HydrophobicContact CG-CB 4.34Å; R442-F468 HydrophobicContact CG-CD1 3.8Å; R442-F468 HydrophobicContact CG-CD2 4.37Å; R442-F468 HydrophobicContact CG-CE1 4.15Å; R442-F468 HydrophobicContact CG-CG 3.91Å |
| 443 | F | 97.4 | Very high | 97.4 | Very high | 117 Ų | 117 | 44.6 Ų | 44.6 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.8 | -51.5 | 178.7 | 171.2 | -94.1 | 0 | 0 | 0 | 110.7 | D441 N445 S446 K447 | D441-F443 VanDerWaalsContact C-N 3.32Å; D441-F443 PolarHBondContact O-N 3.02Å; D441-F443 WeakPolarHBondContact OD1-CB 3.36Å; D441-F443 PolarHBondContact OD1-N 3.47Å; F443-N445 VanDerWaalsContact C-N 3.33Å; F443-N445 PolarHBondContact O-N 3.06Å; F443-S446 PolarHBondContact O-N 3.27Å; F443-K447 HydrophobicContact CD1-CG 4.45Å; F443-K447 HydrophobicContact CE1-CG 4.08Å; F443-K447 HydrophobicContact CE2-CG 4.39Å; F443-K447 HydrophobicContact CZ-CD 4.45Å; F443-K447 VanDerWaalsContact CZ-CE 3.44Å; F443-K447 HydrophobicContact CZ-CG 4.06Å; F443-K447 WeakPolarHBondContact O-CG 3.33Å; F443-K447 PolarHBondContact O-N 3.2Å |
| 444 | I | 96.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.8 | -162.3 | 71.6 | 0 | 0 | 0 | 111.6 | I408 Y412 M431 A434 Q435 D441 S446 K447 C448 | I408-I444 HydrophobicContact CG2-CD1 3.94Å; I408-I444 HydrophobicContact CG2-CG1 4.19Å; Y412-I444 HydrophobicContact CD2-CD1 4.25Å; M431-I444 HydrophobicContact CE-CD1 3.44Å; M431-I444 VanDerWaalsContact CE-CD1 3.44Å; M431-I444 HydrophobicContact CE-CG1 4.09Å; A434-I444 HydrophobicContact CB-CD1 3.83Å; A434-I444 HydrophobicContact CB-CG1 4.04Å; Q435-I444 HydrophobicContact CB-CG1 4.37Å; Q435-I444 HydrophobicContact CB-CG2 4.45Å; Q435-I444 HydrophobicContact CG-CG2 4.33Å; D441-I444 HydrophobicContact CB-CG2 3.95Å; D441-I444 WeakPolarHBondContact O-CG2 3.16Å; D441-I444 PolarHBondContact OD2-N 3.25Å; I444-S446 PolarHBondContact O-N 3.36Å; I444-K447 PolarHBondContact O-N 3.04Å; I444-C448 WeakPolarHBondContact O-CB 3.23Å; I444-C448 PolarHBondContact O-N 3.37Å |
| 445 | N | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.011 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 172.7 | 179 | -82.3 | 0 | 0 | 0 | 112.1 | Q435 D441 F443 K447 C448 A449 M464 F468 | Q435-N445 HydrophobicContact CG-CB 4.32Å; D441-N445 PolarHBondContact O-N 3.31Å; F443-N445 VanDerWaalsContact C-N 3.33Å; F443-N445 PolarHBondContact O-N 3.06Å; N445-K447 VanDerWaalsContact C-N 3.31Å; N445-K447 PolarHBondContact O-N 3.07Å; N445-C448 WeakPolarHBondContact O-CB 3.38Å; N445-C448 PolarHBondContact O-N 3.06Å; N445-A449 PolarHBondContact O-N 3.29Å; N445-M464 PolarHBondContact ND2-O 3.1Å; N445-M464 PolarHBondContact ND2-SD 3.39Å; N445-M464 PolarHBondContact OD1-O 3.22Å; N445-F468 HydrophobicContact CB-CD2 3.94Å; N445-F468 HydrophobicContact CB-CE2 3.51Å; N445-F468 HydrophobicContact CB-CZ 4.35Å; N445-F468 VanDerWaalsContact CG-CD2 3.41Å; N445-F468 VanDerWaalsContact CG-CE2 3.43Å; N445-F468 WeakPolarHBondContact ND2-CE2 3.45Å |
| 446 | S | 98.3 | Very high | 97.2 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 179 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | R442 F443 I444 K450 W486 | R442-S446 VanDerWaalsContact O-CB 3.3Å; R442-S446 WeakPolarHBondContact O-CB 3.47Å; R442-S446 PolarHBondContact O-N 2.84Å; R442-S446 PolarHBondContact O-OG 2.95Å; F443-S446 PolarHBondContact O-N 3.27Å; I444-S446 PolarHBondContact O-N 3.36Å; S446-K450 VanDerWaalsContact O-CB 3.29Å; S446-K450 WeakPolarHBondContact O-CB 3.36Å; S446-K450 PolarHBondContact O-N 3.08Å; S446-W486 WeakPolarHBondContact O-CH2 3.36Å |
| 447 | K | 97.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 47 Ų | 47 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 174.2 | -72.8 | -70.2 | -172.7 | 167.1 | 0 | 112 | Y412 M431 F443 I444 N445 K450 Y451 | Y412-K447 HydrophobicContact CE2-CB 4.43Å; Y412-K447 HydrophobicContact CE2-CD 4.02Å; Y412-K447 HydrophobicContact CE2-CG 4.06Å; Y412-K447 PolarHBondContact OH-NZ 2.85Å; M431-K447 HydrophobicContact CE-CB 3.39Å; M431-K447 HydrophobicContact SD-CB 4.46Å; F443-K447 HydrophobicContact CD1-CG 4.45Å; F443-K447 HydrophobicContact CE1-CG 4.08Å; F443-K447 HydrophobicContact CE2-CG 4.39Å; F443-K447 HydrophobicContact CZ-CD 4.45Å; F443-K447 VanDerWaalsContact CZ-CE 3.44Å; F443-K447 HydrophobicContact CZ-CG 4.06Å; F443-K447 WeakPolarHBondContact O-CG 3.33Å; F443-K447 PolarHBondContact O-N 3.2Å; I444-K447 PolarHBondContact O-N 3.04Å; N445-K447 VanDerWaalsContact C-N 3.31Å; N445-K447 PolarHBondContact O-N 3.07Å; K447-K450 WeakPolarHBondContact O-CB 3.39Å; K447-K450 PolarHBondContact O-N 2.95Å; K447-Y451 VanDerWaalsContact O-CD2 3.28Å; K447-Y451 WeakPolarHBondContact O-CD2 3.4Å; K447-Y451 PolarHBondContact O-N 3.4Å |
| 448 | C | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -53 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | M431 D432 Q435 I444 N445 K450 Y451 M452 M464 | M431-C448 HydrophobicContact CB-CB 4.17Å; M431-C448 HydrophobicContact CE-CB 4.48Å; D432-C448 VanDerWaalsContact CA-SG 3.59Å; Q435-C448 HydrophobicContact CB-CB 4.15Å; Q435-C448 HydrophobicContact CG-CB 4.33Å; I444-C448 WeakPolarHBondContact O-CB 3.23Å; I444-C448 PolarHBondContact O-N 3.37Å; N445-C448 WeakPolarHBondContact O-CB 3.38Å; N445-C448 PolarHBondContact O-N 3.06Å; C448-K450 VanDerWaalsContact C-N 3.27Å; C448-K450 PolarHBondContact O-N 3.06Å; C448-Y451 PolarHBondContact O-N 3.04Å; C448-M452 WeakPolarHBondContact O-CG 3.09Å; C448-M452 PolarHBondContact O-N 3.18Å; C448-M452 VanDerWaalsContact SG-CE 3.54Å; C448-M464 HydrophobicContact CB-CG 4.26Å |
| 449 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.2 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N445 Y451 M452 L453 A461 M464 C465 W486 | N445-A449 PolarHBondContact O-N 3.29Å; A449-Y451 PolarHBondContact O-N 3.26Å; A449-M452 PolarHBondContact O-N 2.86Å; A449-L453 WeakPolarHBondContact O-CG 3.43Å; A449-L453 PolarHBondContact O-N 2.89Å; A449-A461 HydrophobicContact CB-CB 4.33Å; A449-A461 WeakPolarHBondContact O-CB 3.32Å; A449-M464 HydrophobicContact CB-CB 4.24Å; A449-M464 HydrophobicContact CB-CG 4.15Å; A449-C465 WeakPolarHBondContact CB-SG 3.17Å; A449-W486 HydrophobicContact CB-CH2 4.43Å |
| 450 | K | 98.5 | Very high | 97.4 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.2 | -42 | 174.2 | 177.4 | 172.8 | -179.3 | 132.2 | 0 | 112.7 | S446 K447 C448 L453 R454 W486 E490 | S446-K450 VanDerWaalsContact O-CB 3.29Å; S446-K450 WeakPolarHBondContact O-CB 3.36Å; S446-K450 PolarHBondContact O-N 3.08Å; K447-K450 WeakPolarHBondContact O-CB 3.39Å; K447-K450 PolarHBondContact O-N 2.95Å; C448-K450 VanDerWaalsContact C-N 3.27Å; C448-K450 PolarHBondContact O-N 3.06Å; K450-L453 PolarHBondContact O-N 3.36Å; K450-R454 WeakPolarHBondContact O-CG 3.41Å; K450-R454 PolarHBondContact O-N 3.46Å; K450-W486 HydrophobicContact CB-CZ3 3.9Å; K450-E490 WeakPolarHBondContact CE-OE1 3.22Å; K450-E490 HydrophobicContact CG-CG 4.24Å; K450-E490 IonicContact NZ-OE1 3.47Å; K450-E490 PolarHBondContact NZ-OE1 3.43Å |
| 451 | Y | 98.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.5 | -37.7 | 179.4 | -86.1 | -133.1 | 0 | 0 | 0 | 111.3 | A415 K419 A427 M431 K447 C448 A449 R454 A455 | A415-Y451 HydrophobicContact CB-CD1 4.41Å; A415-Y451 HydrophobicContact CB-CE1 3.94Å; K419-Y451 HydrophobicContact CB-CE1 3.86Å; K419-Y451 HydrophobicContact CD-CE1 4.23Å; K419-Y451 HydrophobicContact CD-CE2 4.32Å; K419-Y451 HydrophobicContact CG-CE1 4.28Å; A427-Y451 HydrophobicContact CB-CD1 3.73Å; A427-Y451 HydrophobicContact CB-CE1 3.95Å; M431-Y451 HydrophobicContact CB-CD1 4.49Å; M431-Y451 HydrophobicContact CG-CD1 3.39Å; M431-Y451 HydrophobicContact CG-CD2 4.13Å; M431-Y451 HydrophobicContact CG-CE1 3.8Å; M431-Y451 HydrophobicContact CG-CG 3.57Å; M431-Y451 HydrophobicContact SD-CD1 4.47Å; M431-Y451 HydrophobicContact SD-CE1 4.34Å; K447-Y451 VanDerWaalsContact O-CD2 3.28Å; K447-Y451 WeakPolarHBondContact O-CD2 3.4Å; K447-Y451 PolarHBondContact O-N 3.4Å; C448-Y451 PolarHBondContact O-N 3.04Å; A449-Y451 PolarHBondContact O-N 3.26Å; Y451-R454 WeakPolarHBondContact O-CB 3.43Å; Y451-R454 PolarHBondContact O-N 3.02Å; Y451-A455 PolarHBondContact O-N 3.36Å |
| 452 | M | 98.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 170.1 | -70.4 | 170.6 | 169.5 | 0 | 0 | 111.3 | A428 D432 C448 A449 R454 A455 N456 M457 E460 A461 M464 | A428-M452 HydrophobicContact CB-CG 4.41Å; D432-M452 HydrophobicContact CB-CE 4.38Å; C448-M452 WeakPolarHBondContact O-CG 3.09Å; C448-M452 PolarHBondContact O-N 3.18Å; C448-M452 VanDerWaalsContact SG-CE 3.54Å; A449-M452 PolarHBondContact O-N 2.86Å; M452-R454 VanDerWaalsContact C-N 3.32Å; M452-R454 PolarHBondContact O-N 3.44Å; M452-A455 CarbonylContact O-C 3.44Å; M452-A455 WeakPolarHBondContact O-CA 3.33Å; M452-A455 PolarHBondContact O-N 3.02Å; M452-N456 PolarHBondContact O-N 3.39Å; M452-N456 VanDerWaalsContact O-N 3.12Å; M452-M457 HydrophobicContact CB-CB 4.07Å; M452-M457 WeakPolarHBondContact O-CB 3.49Å; M452-M457 PolarHBondContact O-N 3.25Å; M452-E460 HydrophobicContact SD-CB 4.06Å; M452-A461 HydrophobicContact CB-CB 3.81Å; M452-M464 HydrophobicContact CE-CE 3.8Å; M452-M464 HydrophobicContact SD-CB 3.97Å; M452-M464 HydrophobicContact SD-CG 4.41Å |
| 453 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -39.9 | 174.4 | -70.9 | 174.2 | 0 | 0 | 0 | 112.6 | A449 K450 A455 N456 I458 A461 F487 E490 C491 A494 R497 | A449-L453 WeakPolarHBondContact O-CG 3.43Å; A449-L453 PolarHBondContact O-N 2.89Å; K450-L453 PolarHBondContact O-N 3.36Å; L453-A455 VanDerWaalsContact C-N 3.27Å; L453-A455 PolarHBondContact O-N 2.95Å; L453-N456 PolarHBondContact O-N 3.22Å; L453-I458 HydrophobicContact CD2-CB 4.4Å; L453-I458 HydrophobicContact CD2-CG1 4.16Å; L453-I458 HydrophobicContact CD2-CG2 4.31Å; L453-A461 HydrophobicContact CD2-CB 3.72Å; L453-A461 HydrophobicContact CG-CB 3.64Å; L453-F487 HydrophobicContact CD1-CD2 3.79Å; L453-F487 HydrophobicContact CD1-CE2 3.82Å; L453-F487 HydrophobicContact CD1-CG 4.49Å; L453-E490 HydrophobicContact CB-CB 4.22Å; L453-E490 HydrophobicContact CD1-CB 3.61Å; L453-C491 VanDerWaalsContact CD2-SG 3.52Å; L453-A494 WeakPolarHBondContact O-CB 3.27Å; L453-R497 PolarHBondContact O-NH2 2.95Å |
| 454 | R | 95.7 | Very high | 97.4 | Very high | 91 Ų | 91 | 38.9 Ų | 38.9 | 34% | 0.343 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.6 | -36.1 | 174.9 | -70.1 | -79.2 | 174.8 | 155 | -5.3 | 111.8 | L424 K450 Y451 M452 N456 E490 R497 | L424-R454 HydrophobicContact CD1-CB 4.45Å; L424-R454 VanDerWaalsContact CD1-O 3.29Å; L424-R454 WeakPolarHBondContact CD1-O 3.42Å; K450-R454 WeakPolarHBondContact O-CG 3.41Å; K450-R454 PolarHBondContact O-N 3.46Å; Y451-R454 WeakPolarHBondContact O-CB 3.43Å; Y451-R454 PolarHBondContact O-N 3.02Å; M452-R454 VanDerWaalsContact C-N 3.32Å; M452-R454 PolarHBondContact O-N 3.44Å; R454-N456 PolarHBondContact O-N 2.68Å; R454-E490 IonicContact CZ-OE1 3.84Å; R454-E490 IonicContact CZ-OE2 2.74Å; R454-E490 IonicContact NE-OE1 3.87Å; R454-E490 IonicContact NE-OE2 2.7Å; R454-E490 PolarHBondContact NE-OE2 2.91Å; R454-E490 VanDerWaalsContact NH2-CD 3.28Å; R454-E490 IonicContact NH2-OE1 2.73Å; R454-E490 PolarHBondContact NH2-OE1 3.49Å; R454-E490 IonicContact NH2-OE2 3.92Å; R454-E490 PolarHBondContact NH2-OE2 3.41Å; R454-R497 PolarHBondContact O-NH2 3.22Å |
| 455 | A | 95.7 | Very high | 97.4 | Very high | 11 Ų | 11 | 39 Ų | 39 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 5.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L424 R425 A428 Y451 M452 L453 M457 | L424-A455 HydrophobicContact CB-CB 4.17Å; R425-A455 HydrophobicContact CG-CB 4.39Å; A428-A455 HydrophobicContact CB-CB 4.38Å; Y451-A455 PolarHBondContact O-N 3.36Å; M452-A455 CarbonylContact O-C 3.44Å; M452-A455 WeakPolarHBondContact O-CA 3.33Å; M452-A455 PolarHBondContact O-N 3.02Å; L453-A455 VanDerWaalsContact C-N 3.27Å; L453-A455 PolarHBondContact O-N 2.95Å; A455-M457 HydrophobicContact CB-CG 4.26Å; A455-M457 HydrophobicContact CB-SD 4.15Å; A455-M457 PolarHBondContact O-N 3.45Å |
| 456 | N | 96.6 | Very high | 97.3 | Very high | 55 Ų | 55 | 41.6 Ų | 41.6 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 19.1 | -176.9 | -51.2 | -28.3 | 0 | 0 | 0 | 114.9 | M452 L453 R454 I458 R497 L498 | M452-N456 PolarHBondContact O-N 3.39Å; M452-N456 VanDerWaalsContact O-N 3.12Å; L453-N456 PolarHBondContact O-N 3.22Å; R454-N456 PolarHBondContact O-N 2.68Å; N456-I458 PolarHBondContact O-N 2.89Å; N456-R497 VanDerWaalsContact OD1-CZ 3.29Å; N456-R497 PolarHBondContact OD1-NE 3.38Å; N456-R497 PolarHBondContact OD1-NH2 3.18Å; N456-L498 HydrophobicContact CB-CD1 4.28Å; N456-L498 HydrophobicContact CB-CD2 3.97Å; N456-L498 HydrophobicContact CB-CG 4.15Å |
| 457 | M | 96.8 | Very high | 97.2 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | trans | -88.3 | 71.9 | 176.1 | -64.3 | 172.6 | 64.6 | 0 | 0 | 109.9 | M452 A455 E460 A461 | M452-M457 HydrophobicContact CB-CB 4.07Å; M452-M457 WeakPolarHBondContact O-CB 3.49Å; M452-M457 PolarHBondContact O-N 3.25Å; A455-M457 HydrophobicContact CB-CG 4.26Å; A455-M457 HydrophobicContact CB-SD 4.15Å; A455-M457 PolarHBondContact O-N 3.45Å; M457-E460 VanDerWaalsContact CA-OE2 3.24Å; M457-E460 WeakPolarHBondContact CA-OE2 3.47Å; M457-E460 HydrophobicContact CB-CB 4.17Å; M457-E460 HydrophobicContact CB-CG 4.32Å; M457-E460 WeakPolarHBondContact CB-OE2 3.29Å; M457-E460 HydrophobicContact CE-CB 4.09Å; M457-E460 HydrophobicContact CE-CG 3.79Å; M457-A461 WeakPolarHBondContact O-CB 3.33Å; M457-A461 PolarHBondContact O-N 3.41Å; M457-A461 VanDerWaalsContact O-N 3.08Å | ||
| 458 | I | 96.7 | Very high | 97.2 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.3 | -37.9 | -169.1 | -59.1 | 179.3 | 0 | 0 | 0 | 112.1 | L453 N456 A461 E462 M476 A494 Y495 L498 | L453-I458 HydrophobicContact CD2-CB 4.4Å; L453-I458 HydrophobicContact CD2-CG1 4.16Å; L453-I458 HydrophobicContact CD2-CG2 4.31Å; N456-I458 PolarHBondContact O-N 2.89Å; I458-A461 PolarHBondContact O-N 2.73Å; I458-E462 PolarHBondContact O-N 3.39Å; I458-M476 HydrophobicContact CG2-CE 3.93Å; I458-A494 HydrophobicContact CD1-CB 3.93Å; I458-A494 HydrophobicContact CG1-CB 4.08Å; I458-Y495 HydrophobicContact CD1-CD1 3.51Å; I458-Y495 HydrophobicContact CD1-CE1 3.34Å; I458-Y495 HydrophobicContact CD1-CE2 4.5Å; I458-Y495 HydrophobicContact CD1-CG 4.16Å; I458-Y495 HydrophobicContact CG2-CE1 4.39Å; I458-L498 HydrophobicContact CD1-CD1 3.74Å |
| 459 | K | 96.1 | Very high | 97.1 | Very high | 157 Ų | 157 | 47 Ų | 47 | 68% | 0.683 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -70.6 | -43.4 | -178.7 | -69 | -177.2 | 178.1 | 179.4 | 0 | 110.8 | A461 E462 E463 | K459-A461 VanDerWaalsContact C-N 3.3Å; K459-A461 PolarHBondContact O-N 3.47Å; K459-E462 WeakPolarHBondContact O-CA 3.27Å; K459-E462 WeakPolarHBondContact O-CB 3.43Å; K459-E462 PolarHBondContact O-N 3.45Å; K459-E462 VanDerWaalsContact O-N 3.08Å; K459-E463 WeakPolarHBondContact O-CG 3.38Å; K459-E463 PolarHBondContact O-N 3.3Å |
| 460 | E | 97.5 | Very high | 96.8 | Very high | 76 Ų | 76 | 52.1 Ų | 52.1 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -39.3 | 177.4 | -55.6 | 89.8 | 149.2 | 0 | 0 | 110.5 | M452 M457 E462 E463 M464 | M452-E460 HydrophobicContact SD-CB 4.06Å; M457-E460 VanDerWaalsContact CA-OE2 3.24Å; M457-E460 WeakPolarHBondContact CA-OE2 3.47Å; M457-E460 HydrophobicContact CB-CB 4.17Å; M457-E460 HydrophobicContact CB-CG 4.32Å; M457-E460 WeakPolarHBondContact CB-OE2 3.29Å; M457-E460 HydrophobicContact CE-CB 4.09Å; M457-E460 HydrophobicContact CE-CG 3.79Å; E460-E462 VanDerWaalsContact C-N 3.34Å; E460-E462 PolarHBondContact O-N 2.81Å; E460-E463 PolarHBondContact O-N 3.35Å; E460-M464 VanDerWaalsContact O-CB 3.28Å; E460-M464 WeakPolarHBondContact O-CB 3.44Å; E460-M464 PolarHBondContact O-N 3.2Å |
| 461 | A | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A449 M452 L453 M457 I458 K459 M464 C465 | A449-A461 HydrophobicContact CB-CB 4.33Å; A449-A461 WeakPolarHBondContact O-CB 3.32Å; M452-A461 HydrophobicContact CB-CB 3.81Å; L453-A461 HydrophobicContact CD2-CB 3.72Å; L453-A461 HydrophobicContact CG-CB 3.64Å; M457-A461 WeakPolarHBondContact O-CB 3.33Å; M457-A461 PolarHBondContact O-N 3.41Å; M457-A461 VanDerWaalsContact O-N 3.08Å; I458-A461 PolarHBondContact O-N 2.73Å; K459-A461 VanDerWaalsContact C-N 3.3Å; K459-A461 PolarHBondContact O-N 3.47Å; A461-M464 PolarHBondContact O-N 2.97Å; A461-C465 PolarHBondContact O-N 2.65Å; A461-C465 PolarHBondContact O-SG 3.06Å |
| 462 | E | 96.6 | Very high | 95.8 | Very high | 55 Ų | 55 | 60.4 Ų | 60.4 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 175.6 | -173.8 | 176.2 | -178.8 | 0 | 0 | 111.5 | I458 K459 E460 M464 C465 S466 A475 M476 | I458-E462 PolarHBondContact O-N 3.39Å; K459-E462 WeakPolarHBondContact O-CA 3.27Å; K459-E462 WeakPolarHBondContact O-CB 3.43Å; K459-E462 PolarHBondContact O-N 3.45Å; K459-E462 VanDerWaalsContact O-N 3.08Å; E460-E462 VanDerWaalsContact C-N 3.34Å; E460-E462 PolarHBondContact O-N 2.81Å; E462-M464 VanDerWaalsContact C-N 3.31Å; E462-M464 PolarHBondContact O-N 3.26Å; E462-C465 PolarHBondContact O-N 3.39Å; E462-S466 WeakPolarHBondContact O-CB 3.49Å; E462-S466 PolarHBondContact O-N 3.45Å; E462-A475 HydrophobicContact CG-CB 3.87Å; E462-M476 HydrophobicContact CB-CE 3.95Å; E462-M476 HydrophobicContact CG-CE 4.13Å; E462-M476 HydrophobicContact CG-CG 3.9Å; E462-M476 WeakPolarHBondContact OE1-CG 3.4Å; E462-M476 WeakPolarHBondContact OE2-CG 3.37Å |
| 463 | E | 96.7 | Very high | 95.4 | Very high | 127 Ų | 127 | 61.1 Ų | 61.1 | 59% | 0.593 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.2 | -37.5 | 175.6 | -70.2 | 170.6 | -171.7 | 0 | 0 | 111.8 | K459 E460 S466 | K459-E463 WeakPolarHBondContact O-CG 3.38Å; K459-E463 PolarHBondContact O-N 3.3Å; E460-E463 PolarHBondContact O-N 3.35Å; E463-S466 PolarHBondContact O-N 3.28Å; E463-S466 PolarHBondContact O-OG 3.18Å |
| 464 | M | 97.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 174.5 | -176.1 | 55.9 | 67.5 | 0 | 0 | 111 | D432 Q435 N445 C448 A449 M452 E460 A461 E462 S466 K467 | D432-M464 WeakPolarHBondContact OD1-CE 3.41Å; Q435-M464 HydrophobicContact CG-CE 4.35Å; Q435-M464 HydrophobicContact CG-SD 3.8Å; Q435-M464 PolarHBondContact OE1-SD 2.96Å; N445-M464 PolarHBondContact ND2-O 3.1Å; N445-M464 PolarHBondContact ND2-SD 3.39Å; N445-M464 PolarHBondContact OD1-O 3.22Å; C448-M464 HydrophobicContact CB-CG 4.26Å; A449-M464 HydrophobicContact CB-CB 4.24Å; A449-M464 HydrophobicContact CB-CG 4.15Å; M452-M464 HydrophobicContact CE-CE 3.8Å; M452-M464 HydrophobicContact SD-CB 3.97Å; M452-M464 HydrophobicContact SD-CG 4.41Å; E460-M464 VanDerWaalsContact O-CB 3.28Å; E460-M464 WeakPolarHBondContact O-CB 3.44Å; E460-M464 PolarHBondContact O-N 3.2Å; A461-M464 PolarHBondContact O-N 2.97Å; E462-M464 VanDerWaalsContact C-N 3.31Å; E462-M464 PolarHBondContact O-N 3.26Å; M464-S466 VanDerWaalsContact C-N 3.29Å; M464-S466 PolarHBondContact O-N 2.69Å; M464-K467 WeakPolarHBondContact O-CG 3.45Å; M464-K467 HydrophobicContact SD-CD 3.97Å; M464-K467 PolarHBondContact SD-NZ 3.2Å; M464-K467 VanDerWaalsContact SD-NZ 3.39Å |
| 465 | C | 97.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.8 | -29.7 | 175.8 | -74.6 | 0 | 0 | 0 | 0 | 112.9 | A449 A461 E462 K467 F468 T469 L479 | A449-C465 WeakPolarHBondContact CB-SG 3.17Å; A461-C465 PolarHBondContact O-N 2.65Å; A461-C465 PolarHBondContact O-SG 3.06Å; E462-C465 PolarHBondContact O-N 3.39Å; C465-K467 PolarHBondContact O-N 2.93Å; C465-K467 VanDerWaalsContact O-N 3.1Å; C465-F468 PolarHBondContact O-N 3.13Å; C465-T469 PolarHBondContact O-N 3.34Å; C465-L479 HydrophobicContact CB-CD1 3.92Å |
| 466 | S | 97.1 | Very high | 95 | Very high | 58 Ų | 58 | 60.2 Ų | 60.2 | 41% | 0.406 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -21.4 | -176.5 | 76.2 | 0 | 0 | 0 | 0 | 113.2 | E462 E463 M464 F468 T469 | E462-S466 WeakPolarHBondContact O-CB 3.49Å; E462-S466 PolarHBondContact O-N 3.45Å; E463-S466 PolarHBondContact O-N 3.28Å; E463-S466 PolarHBondContact O-OG 3.18Å; M464-S466 VanDerWaalsContact C-N 3.29Å; M464-S466 PolarHBondContact O-N 2.69Å; S466-F468 PolarHBondContact O-N 2.86Å; S466-T469 VanDerWaalsContact CA-OG1 3.31Å; S466-T469 WeakPolarHBondContact CA-OG1 3.27Å; S466-T469 PolarHBondContact O-N 3.45Å; S466-T469 PolarHBondContact O-OG1 2.82Å |
| 467 | K | 96.3 | Very high | 94.9 | Very high | 117 Ų | 117 | 62.6 Ų | 62.6 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.2 | 172.1 | -58.7 | 178.5 | -174.4 | 177.6 | 0 | 113.5 | M464 C465 | M464-K467 WeakPolarHBondContact O-CG 3.45Å; M464-K467 HydrophobicContact SD-CD 3.97Å; M464-K467 PolarHBondContact SD-NZ 3.2Å; M464-K467 VanDerWaalsContact SD-NZ 3.39Å; C465-K467 PolarHBondContact O-N 2.93Å; C465-K467 VanDerWaalsContact O-N 3.1Å |
| 468 | F | 96.8 | Very high | 94.8 | Very high | 60 Ų | 60 | 60.6 Ų | 60.6 | 26% | 0.263 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 5.6 | -177.8 | -71.9 | -90.3 | 0 | 0 | 0 | 113.9 | A440 R442 N445 C465 S466 | A440-F468 WeakPolarHBondContact O-CE1 3.24Å; A440-F468 WeakPolarHBondContact O-CZ 3.4Å; R442-F468 HydrophobicContact CB-CD1 3.88Å; R442-F468 HydrophobicContact CB-CE1 3.72Å; R442-F468 HydrophobicContact CB-CG 4.4Å; R442-F468 HydrophobicContact CB-CZ 4.13Å; R442-F468 HydrophobicContact CG-CB 4.34Å; R442-F468 HydrophobicContact CG-CD1 3.8Å; R442-F468 HydrophobicContact CG-CD2 4.37Å; R442-F468 HydrophobicContact CG-CE1 4.15Å; R442-F468 HydrophobicContact CG-CG 3.91Å; N445-F468 HydrophobicContact CB-CD2 3.94Å; N445-F468 HydrophobicContact CB-CE2 3.51Å; N445-F468 HydrophobicContact CB-CZ 4.35Å; N445-F468 VanDerWaalsContact CG-CD2 3.41Å; N445-F468 VanDerWaalsContact CG-CE2 3.43Å; N445-F468 WeakPolarHBondContact ND2-CE2 3.45Å; C465-F468 PolarHBondContact O-N 3.13Å; S466-F468 PolarHBondContact O-N 2.86Å |
| 469 | T | 95.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -95.7 | 157.3 | 176.4 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | C465 S466 A475 N478 L479 | C465-T469 PolarHBondContact O-N 3.34Å; S466-T469 VanDerWaalsContact CA-OG1 3.31Å; S466-T469 WeakPolarHBondContact CA-OG1 3.27Å; S466-T469 PolarHBondContact O-N 3.45Å; S466-T469 PolarHBondContact O-OG1 2.82Å; T469-A475 HydrophobicContact CG2-CB 3.93Å; T469-N478 WeakPolarHBondContact CB-OD1 3.33Å; T469-N478 HydrophobicContact CG2-CB 4.24Å; T469-L479 HydrophobicContact CG2-CD2 4.18Å; T469-L479 HydrophobicContact CG2-CG 4.09Å |
| 470 | R | 93.5 | Very high | 94.8 | Very high | 106 Ų | 106 | 55 Ų | 55 | 40% | 0.4 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 137.5 | 178.2 | -175.1 | -179.2 | 67.2 | 175.8 | -2.1 | 111.6 | T473 N478 E481 | R470-T473 PolarHBondContact NH2-OG1 2.55Å; R470-N478 PolarHBondContact N-OD1 2.95Å; R470-E481 IonicContact NH2-OE1 2.98Å; R470-E481 IonicContact NH2-OE2 3.93Å |
| 471 | E | 88.6 | Confident | 94.6 | Very high | 181 Ų | 181 | 55.5 Ų | 55.5 | 85% | 0.846 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 147.6 | 173.9 | -64.2 | -177.3 | 177.6 | 0 | 0 | 112.5 | ||
| 472 | G | 86.1 | Confident | 94.5 | Very high | 62 Ų | 62 | 61.7 Ų | 61.7 | 64% | 0.639 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 8.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 473 | T | 90.6 | Very high | 94.6 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 17% | 0.172 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -139.3 | 149.7 | 173.8 | -55 | 0 | 0 | 0 | 0 | 108.8 | R470 E477 R628 | R470-T473 PolarHBondContact NH2-OG1 2.55Å; T473-E477 HydrophobicContact CG2-CB 3.84Å; T473-E477 HydrophobicContact CG2-CG 3.74Å; T473-E477 WeakPolarHBondContact CG2-OE2 3.38Å; T473-R628 PolarHBondContact OG1-NH1 3.24Å |
| 474 | S | 93.4 | Very high | 94.6 | Very high | 56 Ų | 56 | 57 Ų | 57 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | trans | -63.9 | 147.6 | 176.4 | 70.4 | 0 | 0 | 0 | 0 | 110.5 | M476 E477 N478 | S474-M476 PolarHBondContact O-N 2.95Å; S474-E477 PolarHBondContact O-N 3.32Å; S474-E477 VanDerWaalsContact OG-CB 3.22Å; S474-E477 WeakPolarHBondContact OG-CB 3.42Å; S474-E477 PolarHBondContact OG-N 3.31Å; S474-N478 PolarHBondContact O-N 2.7Å | ||
| 475 | A | 94.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E462 T469 E477 N478 L479 | E462-A475 HydrophobicContact CG-CB 3.87Å; T469-A475 HydrophobicContact CG2-CB 3.93Å; A475-E477 VanDerWaalsContact C-N 3.33Å; A475-E477 PolarHBondContact O-N 2.95Å; A475-N478 PolarHBondContact O-N 3.26Å; A475-L479 VanDerWaalsContact O-CB 3.27Å; A475-L479 WeakPolarHBondContact O-CB 3.37Å; A475-L479 WeakPolarHBondContact O-CG 3.48Å; A475-L479 PolarHBondContact O-N 3.13Å |
| 476 | M | 93.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 60.5 Ų | 60.5 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 175 | -75.3 | -82.1 | 173 | 0 | 0 | 113.4 | I458 E462 S474 N480 F487 | I458-M476 HydrophobicContact CG2-CE 3.93Å; E462-M476 HydrophobicContact CB-CE 3.95Å; E462-M476 HydrophobicContact CG-CE 4.13Å; E462-M476 HydrophobicContact CG-CG 3.9Å; E462-M476 WeakPolarHBondContact OE1-CG 3.4Å; E462-M476 WeakPolarHBondContact OE2-CG 3.37Å; S474-M476 PolarHBondContact O-N 2.95Å; M476-N480 WeakPolarHBondContact O-CB 3.12Å; M476-N480 PolarHBondContact O-N 3.07Å; M476-F487 HydrophobicContact CE-CE1 3.87Å; M476-F487 HydrophobicContact CE-CZ 3.71Å; M476-F487 HydrophobicContact SD-CE1 3.63Å; M476-F487 HydrophobicContact SD-CZ 4.1Å |
| 477 | E | 93.4 | Very high | 94.7 | Very high | 105 Ų | 105 | 57.9 Ų | 57.9 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.4 | -44.9 | 179.3 | -179 | 170.4 | -152.5 | 0 | 0 | 111.1 | T473 S474 A475 L479 N480 E481 | T473-E477 HydrophobicContact CG2-CB 3.84Å; T473-E477 HydrophobicContact CG2-CG 3.74Å; T473-E477 WeakPolarHBondContact CG2-OE2 3.38Å; S474-E477 PolarHBondContact O-N 3.32Å; S474-E477 VanDerWaalsContact OG-CB 3.22Å; S474-E477 WeakPolarHBondContact OG-CB 3.42Å; S474-E477 PolarHBondContact OG-N 3.31Å; A475-E477 VanDerWaalsContact C-N 3.33Å; A475-E477 PolarHBondContact O-N 2.95Å; E477-L479 VanDerWaalsContact C-N 3.34Å; E477-L479 PolarHBondContact O-N 2.99Å; E477-N480 CarbonylContact O-C 3.13Å; E477-N480 WeakPolarHBondContact O-CA 3.45Å; E477-N480 WeakPolarHBondContact O-CB 3.3Å; E477-N480 PolarHBondContact O-N 3.4Å; E477-E481 WeakPolarHBondContact O-CG 3.47Å; E477-E481 PolarHBondContact O-N 3.05Å |
| 478 | N | 95.7 | Very high | 94.8 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 177.5 | -173.7 | -112.9 | 0 | 0 | 0 | 112.4 | T469 R470 S474 A475 N480 E481 M482 | T469-N478 WeakPolarHBondContact CB-OD1 3.33Å; T469-N478 HydrophobicContact CG2-CB 4.24Å; R470-N478 PolarHBondContact N-OD1 2.95Å; S474-N478 PolarHBondContact O-N 2.7Å; A475-N478 PolarHBondContact O-N 3.26Å; N478-N480 VanDerWaalsContact C-N 3.26Å; N478-N480 PolarHBondContact O-N 3.3Å; N478-E481 PolarHBondContact ND2-OE2 3.18Å; N478-E481 WeakPolarHBondContact O-CB 3.35Å; N478-E481 PolarHBondContact O-N 3.05Å; N478-M482 WeakPolarHBondContact O-CB 3.3Å; N478-M482 VanDerWaalsContact O-CG 3.28Å; N478-M482 WeakPolarHBondContact O-CG 3.34Å; N478-M482 PolarHBondContact O-N 3.02Å |
| 479 | L | 96.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -29.6 | 174.9 | -69.7 | 174.2 | 0 | 0 | 0 | 112.3 | C465 T469 A475 E477 Q483 C484 F487 | C465-L479 HydrophobicContact CB-CD1 3.92Å; T469-L479 HydrophobicContact CG2-CD2 4.18Å; T469-L479 HydrophobicContact CG2-CG 4.09Å; A475-L479 VanDerWaalsContact O-CB 3.27Å; A475-L479 WeakPolarHBondContact O-CB 3.37Å; A475-L479 WeakPolarHBondContact O-CG 3.48Å; A475-L479 PolarHBondContact O-N 3.13Å; E477-L479 VanDerWaalsContact C-N 3.34Å; E477-L479 PolarHBondContact O-N 2.99Å; L479-Q483 PolarHBondContact O-N 3.07Å; L479-C484 HydrophobicContact CB-CB 4.01Å; L479-C484 HydrophobicContact CD2-CB 4.01Å; L479-C484 WeakPolarHBondContact O-CB 3.48Å; L479-C484 PolarHBondContact O-N 2.94Å; L479-F487 HydrophobicContact CB-CD1 4.42Å; L479-F487 HydrophobicContact CD1-CB 4.44Å; L479-F487 HydrophobicContact CD1-CD1 3.6Å; L479-F487 HydrophobicContact CD1-CD2 3.97Å; L479-F487 HydrophobicContact CD1-CE1 3.69Å; L479-F487 HydrophobicContact CD1-CE2 4.05Å; L479-F487 HydrophobicContact CD1-CG 3.75Å; L479-F487 HydrophobicContact CD1-CZ 3.92Å |
| 480 | N | 95.8 | Very high | 95 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.4 | -45 | 171.8 | 178.6 | 70.5 | 0 | 0 | 0 | 111.4 | M476 E477 N478 M482 Q483 Q488 E510 H514 | M476-N480 WeakPolarHBondContact O-CB 3.12Å; M476-N480 PolarHBondContact O-N 3.07Å; E477-N480 CarbonylContact O-C 3.13Å; E477-N480 WeakPolarHBondContact O-CA 3.45Å; E477-N480 WeakPolarHBondContact O-CB 3.3Å; E477-N480 PolarHBondContact O-N 3.4Å; N478-N480 VanDerWaalsContact C-N 3.26Å; N478-N480 PolarHBondContact O-N 3.3Å; N480-M482 VanDerWaalsContact C-N 3.27Å; N480-M482 PolarHBondContact O-N 2.9Å; N480-Q483 PolarHBondContact O-N 3.16Å; N480-Q488 PolarHBondContact OD1-NE2 3.44Å; N480-E510 PolarHBondContact OD1-OE2 2.79Å; N480-H514 PolarHBondContact O-CE1 3.37Å; N480-H514 PolarHBondContact OD1-CE1 3.01Å; N480-H514 VanDerWaalsContact OD1-CE1 3.31Å; N480-H514 PolarHBondContact OD1-NE2 3.15Å |
| 481 | E | 94.1 | Very high | 95.2 | Very high | 88 Ų | 88 | 44.1 Ų | 44.1 | 41% | 0.411 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.8 | -42.6 | 173.9 | -68.2 | 169.5 | 167.8 | 0 | 0 | 111.7 | R470 E477 N478 Q483 | R470-E481 IonicContact NH2-OE1 2.98Å; R470-E481 IonicContact NH2-OE2 3.93Å; E477-E481 WeakPolarHBondContact O-CG 3.47Å; E477-E481 PolarHBondContact O-N 3.05Å; N478-E481 PolarHBondContact ND2-OE2 3.18Å; N478-E481 WeakPolarHBondContact O-CB 3.35Å; N478-E481 PolarHBondContact O-N 3.05Å; E481-Q483 PolarHBondContact O-N 3.39Å |
| 482 | M | 95.8 | Very high | 95.6 | Very high | 129 Ų | 129 | 35.5 Ų | 35.5 | 64% | 0.635 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 10.8 | 179.4 | -63 | -56.7 | -53.4 | 0 | 0 | 113.9 | N478 N480 C484 | N478-M482 WeakPolarHBondContact O-CB 3.3Å; N478-M482 VanDerWaalsContact O-CG 3.28Å; N478-M482 WeakPolarHBondContact O-CG 3.34Å; N478-M482 PolarHBondContact O-N 3.02Å; N480-M482 VanDerWaalsContact C-N 3.27Å; N480-M482 PolarHBondContact O-N 2.9Å; M482-C484 VanDerWaalsContact C-N 3.27Å; M482-C484 PolarHBondContact O-N 3.14Å |
| 483 | Q | 97.6 | Very high | 96.1 | Very high | 66 Ų | 66 | 34.2 Ų | 34.2 | 31% | 0.308 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 37.9 | 178.4 | -57.3 | 175.1 | -22.9 | 0 | 0 | 113.6 | L479 N480 E481 M485 | L479-Q483 PolarHBondContact O-N 3.07Å; N480-Q483 PolarHBondContact O-N 3.16Å; E481-Q483 PolarHBondContact O-N 3.39Å; Q483-M485 VanDerWaalsContact C-N 3.3Å; Q483-M485 PolarHBondContact O-N 3.12Å |
| 484 | C | 98.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | trans | -77 | 72 | -174.7 | -167.8 | 0 | 0 | 0 | 0 | 112.8 | L479 M482 W486 F487 Q488 | L479-C484 HydrophobicContact CB-CB 4.01Å; L479-C484 HydrophobicContact CD2-CB 4.01Å; L479-C484 WeakPolarHBondContact O-CB 3.48Å; L479-C484 PolarHBondContact O-N 2.94Å; M482-C484 VanDerWaalsContact C-N 3.27Å; M482-C484 PolarHBondContact O-N 3.14Å; C484-W486 VanDerWaalsContact C-N 3.3Å; C484-W486 PolarHBondContact O-N 2.89Å; C484-W486 VanDerWaalsContact SG-CD1 3.52Å; C484-W486 PolarHBondContact SG-NE1 3.42Å; C484-F487 PolarHBondContact O-N 2.85Å; C484-Q488 PolarHBondContact O-N 3.25Å | ||
| 485 | M | 98.1 | Very high | 96.6 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 9% | 0.089 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.4 | -28.4 | -173.8 | -62.5 | 176.5 | -165 | 0 | 0 | 114 | Q483 F487 T489 H514 F515 I518 F553 | Q483-M485 VanDerWaalsContact C-N 3.3Å; Q483-M485 PolarHBondContact O-N 3.12Å; M485-F487 VanDerWaalsContact C-N 3.31Å; M485-F487 PolarHBondContact O-N 3.37Å; M485-T489 WeakPolarHBondContact O-CB 3.42Å; M485-T489 VanDerWaalsContact O-CG2 3.3Å; M485-T489 WeakPolarHBondContact O-CG2 3.29Å; M485-T489 PolarHBondContact O-N 3.19Å; M485-T489 PolarHBondContact O-OG1 3.35Å; M485-H514 HydrophobicContact CE-CB 3.53Å; M485-F515 HydrophobicContact CE-CD2 4.31Å; M485-F515 HydrophobicContact CE-CE2 4Å; M485-F515 HydrophobicContact CE-CZ 4.37Å; M485-F515 HydrophobicContact SD-CE2 3.73Å; M485-F515 HydrophobicContact SD-CZ 4.09Å; M485-I518 HydrophobicContact CE-CD1 3.8Å; M485-F553 HydrophobicContact CB-CB 4.06Å; M485-F553 HydrophobicContact CB-CD1 4.08Å; M485-F553 HydrophobicContact CB-CD2 3.6Å; M485-F553 HydrophobicContact CB-CE1 4.46Å; M485-F553 HydrophobicContact CB-CE2 4.05Å; M485-F553 HydrophobicContact CB-CG 3.67Å; M485-F553 HydrophobicContact CB-CZ 4.47Å; M485-F553 HydrophobicContact CG-CD2 4.26Å; M485-F553 HydrophobicContact CG-CG 4.5Å; M485-F553 HydrophobicContact SD-CB 3.76Å; M485-F553 HydrophobicContact SD-CD2 3.62Å; M485-F553 HydrophobicContact SD-CG 4Å |
| 486 | W | 98.1 | Very high | 96.6 | Very high | 69 Ų | 69 | 32.6 Ų | 32.6 | 26% | 0.261 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.4 | -39.7 | 177.5 | 78.6 | -101.6 | 0 | 0 | 0 | 111 | S446 A449 K450 C484 T489 E490 F553 | S446-W486 WeakPolarHBondContact O-CH2 3.36Å; A449-W486 HydrophobicContact CB-CH2 4.43Å; K450-W486 HydrophobicContact CB-CZ3 3.9Å; C484-W486 VanDerWaalsContact C-N 3.3Å; C484-W486 PolarHBondContact O-N 2.89Å; C484-W486 VanDerWaalsContact SG-CD1 3.52Å; C484-W486 PolarHBondContact SG-NE1 3.42Å; W486-T489 PolarHBondContact O-OG1 2.72Å; W486-E490 HydrophobicContact CE3-CG 4.45Å; W486-E490 WeakPolarHBondContact O-CG 3.42Å; W486-E490 PolarHBondContact O-N 3.22Å; W486-F553 HydrophobicContact CB-CE1 3.97Å; W486-F553 HydrophobicContact CB-CZ 3.93Å |
| 487 | F | 98.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.6 | -47.6 | 178.9 | 178.1 | -95.3 | 0 | 0 | 0 | 110 | L453 M476 L479 C484 M485 T489 E490 C491 | L453-F487 HydrophobicContact CD1-CD2 3.79Å; L453-F487 HydrophobicContact CD1-CE2 3.82Å; L453-F487 HydrophobicContact CD1-CG 4.49Å; M476-F487 HydrophobicContact CE-CE1 3.87Å; M476-F487 HydrophobicContact CE-CZ 3.71Å; M476-F487 HydrophobicContact SD-CE1 3.63Å; M476-F487 HydrophobicContact SD-CZ 4.1Å; L479-F487 HydrophobicContact CB-CD1 4.42Å; L479-F487 HydrophobicContact CD1-CB 4.44Å; L479-F487 HydrophobicContact CD1-CD1 3.6Å; L479-F487 HydrophobicContact CD1-CD2 3.97Å; L479-F487 HydrophobicContact CD1-CE1 3.69Å; L479-F487 HydrophobicContact CD1-CE2 4.05Å; L479-F487 HydrophobicContact CD1-CG 3.75Å; L479-F487 HydrophobicContact CD1-CZ 3.92Å; C484-F487 PolarHBondContact O-N 2.85Å; M485-F487 VanDerWaalsContact C-N 3.31Å; M485-F487 PolarHBondContact O-N 3.37Å; F487-T489 VanDerWaalsContact C-N 3.35Å; F487-T489 PolarHBondContact O-N 3.2Å; F487-E490 PolarHBondContact O-N 2.94Å; F487-C491 VanDerWaalsContact CE1-SG 3.56Å; F487-C491 PolarHBondContact O-N 2.82Å; F487-C491 PolarHBondContact O-SG 2.67Å; F487-C491 VanDerWaalsContact O-SG 3.42Å |
| 488 | Q | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 178 | -67.3 | 172.4 | -49.6 | 0 | 0 | 112.2 | N480 C484 E490 C491 I492 E510 V511 H514 | N480-Q488 PolarHBondContact OD1-NE2 3.44Å; C484-Q488 PolarHBondContact O-N 3.25Å; Q488-E490 PolarHBondContact O-N 3.24Å; Q488-C491 WeakPolarHBondContact O-CB 3.38Å; Q488-C491 PolarHBondContact O-N 3.07Å; Q488-I492 VanDerWaalsContact O-CG1 3.3Å; Q488-I492 WeakPolarHBondContact O-CG1 3.14Å; Q488-I492 PolarHBondContact O-N 3.32Å; Q488-E510 PolarHBondContact NE2-OE2 2.69Å; Q488-V511 HydrophobicContact CB-CG2 3.91Å; Q488-H514 PolarHBondContact NE2-NE2 3.05Å; Q488-H514 PolarHBondContact OE1-CD2 3.47Å; Q488-H514 VanDerWaalsContact OE1-CD2 3.22Å; Q488-H514 PolarHBondContact OE1-NE2 3.18Å |
| 489 | T | 97.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.6 | -31.2 | 179.1 | 52.9 | 0 | 0 | 0 | 0 | 114 | M485 W486 F487 I492 S493 V511 F553 K556 | M485-T489 WeakPolarHBondContact O-CB 3.42Å; M485-T489 VanDerWaalsContact O-CG2 3.3Å; M485-T489 WeakPolarHBondContact O-CG2 3.29Å; M485-T489 PolarHBondContact O-N 3.19Å; M485-T489 PolarHBondContact O-OG1 3.35Å; W486-T489 PolarHBondContact O-OG1 2.72Å; F487-T489 VanDerWaalsContact C-N 3.35Å; F487-T489 PolarHBondContact O-N 3.2Å; T489-I492 HydrophobicContact CG2-CD1 4.42Å; T489-S493 PolarHBondContact O-N 3.31Å; T489-S493 PolarHBondContact O-OG 3.18Å; T489-V511 HydrophobicContact CG2-CG2 4.33Å; T489-F553 HydrophobicContact CG2-CD1 4.21Å; T489-K556 HydrophobicContact CG2-CB 4.28Å |
| 490 | E | 98.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.023 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.5 | -37.5 | 171.3 | -65.5 | -68.6 | 172.9 | 0 | 0 | 111.3 | K450 L453 R454 W486 F487 Q488 S493 A494 | K450-E490 WeakPolarHBondContact CE-OE1 3.22Å; K450-E490 HydrophobicContact CG-CG 4.24Å; K450-E490 IonicContact NZ-OE1 3.47Å; K450-E490 PolarHBondContact NZ-OE1 3.43Å; L453-E490 HydrophobicContact CB-CB 4.22Å; L453-E490 HydrophobicContact CD1-CB 3.61Å; R454-E490 IonicContact CZ-OE1 3.84Å; R454-E490 IonicContact CZ-OE2 2.74Å; R454-E490 IonicContact NE-OE1 3.87Å; R454-E490 IonicContact NE-OE2 2.7Å; R454-E490 PolarHBondContact NE-OE2 2.91Å; R454-E490 VanDerWaalsContact NH2-CD 3.28Å; R454-E490 IonicContact NH2-OE1 2.73Å; R454-E490 PolarHBondContact NH2-OE1 3.49Å; R454-E490 IonicContact NH2-OE2 3.92Å; R454-E490 PolarHBondContact NH2-OE2 3.41Å; W486-E490 HydrophobicContact CE3-CG 4.45Å; W486-E490 WeakPolarHBondContact O-CG 3.42Å; W486-E490 PolarHBondContact O-N 3.22Å; F487-E490 PolarHBondContact O-N 2.94Å; Q488-E490 PolarHBondContact O-N 3.24Å; E490-S493 PolarHBondContact O-N 3.39Å; E490-A494 PolarHBondContact O-N 3.48Å |
| 491 | C | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 171.1 | -75 | 0 | 0 | 0 | 0 | 112.3 | L453 F487 Q488 S493 A494 Y495 K507 | L453-C491 VanDerWaalsContact CD2-SG 3.52Å; F487-C491 VanDerWaalsContact CE1-SG 3.56Å; F487-C491 PolarHBondContact O-N 2.82Å; F487-C491 PolarHBondContact O-SG 2.67Å; F487-C491 VanDerWaalsContact O-SG 3.42Å; Q488-C491 WeakPolarHBondContact O-CB 3.38Å; Q488-C491 PolarHBondContact O-N 3.07Å; C491-S493 VanDerWaalsContact C-N 3.27Å; C491-S493 PolarHBondContact O-N 3.21Å; C491-A494 PolarHBondContact O-N 3.28Å; C491-A494 VanDerWaalsContact O-N 3.13Å; C491-Y495 HydrophobicContact CB-CD2 4.25Å; C491-Y495 HydrophobicContact CB-CE2 4.07Å; C491-Y495 WeakPolarHBondContact O-CB 3.14Å; C491-Y495 WeakPolarHBondContact O-CD2 3.42Å; C491-Y495 PolarHBondContact O-N 3.05Å; C491-K507 HydrophobicContact CB-CG 4.32Å |
| 492 | I | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.2 | -50.7 | 174.5 | -68.7 | 165.6 | 0 | 0 | 0 | 109.8 | Q488 T489 A494 Y495 Q496 K507 C508 V511 A557 | Q488-I492 VanDerWaalsContact O-CG1 3.3Å; Q488-I492 WeakPolarHBondContact O-CG1 3.14Å; Q488-I492 PolarHBondContact O-N 3.32Å; T489-I492 HydrophobicContact CG2-CD1 4.42Å; I492-A494 VanDerWaalsContact C-N 3.33Å; I492-A494 PolarHBondContact O-N 2.87Å; I492-Y495 PolarHBondContact O-N 3.05Å; I492-Q496 WeakPolarHBondContact O-CB 3.31Å; I492-Q496 PolarHBondContact O-N 3.42Å; I492-K507 HydrophobicContact CD1-CB 4.15Å; I492-K507 HydrophobicContact CG1-CB 3.43Å; I492-K507 VanDerWaalsContact CG1-CB 3.43Å; I492-C508 HydrophobicContact CD1-CB 4.35Å; I492-V511 HydrophobicContact CD1-CG2 4.48Å; I492-A557 HydrophobicContact CD1-CB 4.07Å |
| 493 | S | 96 | Very high | 96.4 | Very high | 34 Ų | 34 | 34 Ų | 34 | 24% | 0.238 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -38.1 | -179.1 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | T489 E490 C491 R497 | T489-S493 PolarHBondContact O-N 3.31Å; T489-S493 PolarHBondContact O-OG 3.18Å; E490-S493 PolarHBondContact O-N 3.39Å; C491-S493 VanDerWaalsContact C-N 3.27Å; C491-S493 PolarHBondContact O-N 3.21Å; S493-R497 WeakPolarHBondContact O-CG 3.48Å; S493-R497 PolarHBondContact O-N 3.48Å; S493-R497 VanDerWaalsContact O-N 3.16Å; S493-R497 PolarHBondContact O-NH1 3.41Å; S493-R497 VanDerWaalsContact O-NH1 3.15Å |
| 494 | A | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.9 | -47.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L453 I458 E490 C491 I492 Q496 R497 L498 | L453-A494 WeakPolarHBondContact O-CB 3.27Å; I458-A494 HydrophobicContact CD1-CB 3.93Å; I458-A494 HydrophobicContact CG1-CB 4.08Å; E490-A494 PolarHBondContact O-N 3.48Å; C491-A494 PolarHBondContact O-N 3.28Å; C491-A494 VanDerWaalsContact O-N 3.13Å; I492-A494 VanDerWaalsContact C-N 3.33Å; I492-A494 PolarHBondContact O-N 2.87Å; A494-Q496 VanDerWaalsContact C-N 3.32Å; A494-Q496 PolarHBondContact O-N 3.39Å; A494-R497 PolarHBondContact O-N 2.84Å; A494-L498 WeakPolarHBondContact O-CG 3.36Å; A494-L498 PolarHBondContact O-N 2.83Å |
| 495 | Y | 97.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 30 Ų | 30 | 8% | 0.082 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 176.2 | -73.3 | -52.3 | 0 | 0 | 0 | 112.2 | I458 C491 I492 R497 L498 G499 R500 D503 K507 | I458-Y495 HydrophobicContact CD1-CD1 3.51Å; I458-Y495 HydrophobicContact CD1-CE1 3.34Å; I458-Y495 HydrophobicContact CD1-CE2 4.5Å; I458-Y495 HydrophobicContact CD1-CG 4.16Å; I458-Y495 HydrophobicContact CG2-CE1 4.39Å; C491-Y495 HydrophobicContact CB-CD2 4.25Å; C491-Y495 HydrophobicContact CB-CE2 4.07Å; C491-Y495 WeakPolarHBondContact O-CB 3.14Å; C491-Y495 WeakPolarHBondContact O-CD2 3.42Å; C491-Y495 PolarHBondContact O-N 3.05Å; I492-Y495 PolarHBondContact O-N 3.05Å; Y495-R497 PolarHBondContact O-N 3.24Å; Y495-L498 CarbonylContact O-C 3.51Å; Y495-L498 PolarHBondContact O-N 2.91Å; Y495-L498 VanDerWaalsContact O-N 3.17Å; Y495-G499 PolarHBondContact O-N 2.92Å; Y495-G499 VanDerWaalsContact O-N 3.12Å; Y495-R500 HydrophobicContact CD1-CB 4.02Å; Y495-R500 PolarHBondContact O-N 2.99Å; Y495-D503 HydrophobicContact CD1-CB 3.78Å; Y495-D503 HydrophobicContact CD2-CB 3.91Å; Y495-D503 HydrophobicContact CE1-CB 3.95Å; Y495-D503 HydrophobicContact CE2-CB 4.07Å; Y495-D503 HydrophobicContact CG-CB 3.78Å; Y495-K507 HydrophobicContact CD2-CG 4.37Å; Y495-K507 HydrophobicContact CE2-CG 4.19Å |
| 496 | Q | 93.9 | Very high | 96.3 | Very high | 34 Ų | 34 | 32.2 Ų | 32.2 | 16% | 0.159 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.2 | -169.4 | -178.9 | -3.4 | 0 | 0 | 112 | I492 A494 L498 G499 Y501 E563 I564 | I492-Q496 WeakPolarHBondContact O-CB 3.31Å; I492-Q496 PolarHBondContact O-N 3.42Å; A494-Q496 VanDerWaalsContact C-N 3.32Å; A494-Q496 PolarHBondContact O-N 3.39Å; Q496-L498 VanDerWaalsContact C-N 3.29Å; Q496-L498 PolarHBondContact O-N 3.05Å; Q496-G499 PolarHBondContact O-N 3.47Å; Q496-Y501 HydrophobicContact CG-CE1 4.44Å; Q496-E563 PolarHBondContact NE2-OE2 3.37Å; Q496-E563 VanDerWaalsContact NE2-OE2 3.08Å; Q496-I564 HydrophobicContact CG-CD1 4.49Å; Q496-I564 HydrophobicContact CG-CG1 4.31Å |
| 497 | R | 92.1 | Very high | 96.3 | Very high | 110 Ų | 110 | 29.7 Ų | 29.7 | 42% | 0.415 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.7 | -30.7 | 173.9 | -74.5 | -170 | -57.2 | -82.5 | -0.6 | 113 | L453 R454 N456 S493 A494 Y495 G499 | L453-R497 PolarHBondContact O-NH2 2.95Å; R454-R497 PolarHBondContact O-NH2 3.22Å; N456-R497 VanDerWaalsContact OD1-CZ 3.29Å; N456-R497 PolarHBondContact OD1-NE 3.38Å; N456-R497 PolarHBondContact OD1-NH2 3.18Å; S493-R497 WeakPolarHBondContact O-CG 3.48Å; S493-R497 PolarHBondContact O-N 3.48Å; S493-R497 VanDerWaalsContact O-N 3.16Å; S493-R497 PolarHBondContact O-NH1 3.41Å; S493-R497 VanDerWaalsContact O-NH1 3.15Å; A494-R497 PolarHBondContact O-N 2.84Å; Y495-R497 PolarHBondContact O-N 3.24Å; R497-G499 VanDerWaalsContact C-N 3.31Å |
| 498 | L | 93.8 | Very high | 96.3 | Very high | 82 Ų | 82 | 29.6 Ų | 29.6 | 43% | 0.429 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.3 | 176 | -68.3 | 174.7 | 0 | 0 | 0 | 113.7 | N456 I458 A494 Y495 Q496 R500 | N456-L498 HydrophobicContact CB-CD1 4.28Å; N456-L498 HydrophobicContact CB-CD2 3.97Å; N456-L498 HydrophobicContact CB-CG 4.15Å; I458-L498 HydrophobicContact CD1-CD1 3.74Å; A494-L498 WeakPolarHBondContact O-CG 3.36Å; A494-L498 PolarHBondContact O-N 2.83Å; Y495-L498 CarbonylContact O-C 3.51Å; Y495-L498 PolarHBondContact O-N 2.91Å; Y495-L498 VanDerWaalsContact O-N 3.17Å; Q496-L498 VanDerWaalsContact C-N 3.29Å; Q496-L498 PolarHBondContact O-N 3.05Å; L498-R500 HydrophobicContact CB-CG 4.32Å; L498-R500 PolarHBondContact O-N 3.06Å |
| 499 | G | 92.4 | Very high | 96.3 | Very high | 39 Ų | 39 | 31 Ų | 31 | 40% | 0.402 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 10.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y495 Q496 R497 Y501 | Y495-G499 PolarHBondContact O-N 2.92Å; Y495-G499 VanDerWaalsContact O-N 3.12Å; Q496-G499 PolarHBondContact O-N 3.47Å; R497-G499 VanDerWaalsContact C-N 3.31Å; G499-Y501 VanDerWaalsContact C-N 3.33Å; G499-Y501 PolarHBondContact O-N 3.23Å; G499-Y501 VanDerWaalsContact O-N 3.07Å |
| 500 | R | 95.2 | Very high | 96.3 | Very high | 114 Ų | 114 | 31.3 Ų | 31.3 | 43% | 0.43 | 15% | 0.151 | S | C | . | . | trans | -84.9 | 71.6 | 178.8 | -69.3 | 177.9 | 60.5 | 179.2 | 1.2 | 110.7 | Y495 L498 D503 A504 | Y495-R500 HydrophobicContact CD1-CB 4.02Å; Y495-R500 PolarHBondContact O-N 2.99Å; L498-R500 HydrophobicContact CB-CG 4.32Å; L498-R500 PolarHBondContact O-N 3.06Å; R500-D503 HydrophobicContact CB-CB 4.4Å; R500-D503 IonicContact CZ-OD2 3.6Å; R500-D503 IonicContact NE-OD2 3.01Å; R500-D503 PolarHBondContact NE-OD2 3.18Å; R500-D503 VanDerWaalsContact NH2-CG 3.34Å; R500-D503 IonicContact NH2-OD1 2.69Å; R500-D503 IonicContact NH2-OD2 3.19Å; R500-D503 PolarHBondContact NH2-OD2 3.33Å; R500-D503 PolarHBondContact O-N 3.19Å; R500-A504 PolarHBondContact O-N 2.85Å; R500-A504 VanDerWaalsContact O-N 3.16Å | ||
| 501 | Y | 95.3 | Very high | 96.3 | Very high | 54 Ų | 54 | 31.1 Ų | 31.1 | 21% | 0.212 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | -171.5 | -62.2 | -41.1 | 0 | 0 | 0 | 114.1 | Q496 G499 D503 A504 L505 I564 L568 | Q496-Y501 HydrophobicContact CG-CE1 4.44Å; G499-Y501 VanDerWaalsContact C-N 3.33Å; G499-Y501 PolarHBondContact O-N 3.23Å; G499-Y501 VanDerWaalsContact O-N 3.07Å; Y501-D503 PolarHBondContact O-N 3.34Å; Y501-A504 PolarHBondContact O-N 3.44Å; Y501-L505 WeakPolarHBondContact O-CB 3.46Å; Y501-L505 WeakPolarHBondContact O-CG 3.47Å; Y501-L505 PolarHBondContact O-N 3.23Å; Y501-I564 HydrophobicContact CD1-CG1 4.05Å; Y501-I564 HydrophobicContact CD1-CG2 4.1Å; Y501-I564 HydrophobicContact CG-CG2 4.03Å; Y501-L568 HydrophobicContact CD2-CD2 4.23Å |
| 502 | G | 95.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L505 K506 P644 E648 | G502-L505 PolarHBondContact O-N 2.89Å; G502-K506 PolarHBondContact O-N 2.95Å; G502-P644 WeakPolarHBondContact CA-O 3.44Å; G502-E648 PolarHBondContact N-OE2 3.18Å |
| 503 | D | 96.2 | Very high | 96.2 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 20% | 0.203 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.3 | -39.5 | 178.6 | -67.2 | -58.3 | 0 | 0 | 0 | 112.1 | Y495 R500 Y501 K506 K507 | Y495-D503 HydrophobicContact CD1-CB 3.78Å; Y495-D503 HydrophobicContact CD2-CB 3.91Å; Y495-D503 HydrophobicContact CE1-CB 3.95Å; Y495-D503 HydrophobicContact CE2-CB 4.07Å; Y495-D503 HydrophobicContact CG-CB 3.78Å; R500-D503 HydrophobicContact CB-CB 4.4Å; R500-D503 IonicContact CZ-OD2 3.6Å; R500-D503 IonicContact NE-OD2 3.01Å; R500-D503 PolarHBondContact NE-OD2 3.18Å; R500-D503 VanDerWaalsContact NH2-CG 3.34Å; R500-D503 IonicContact NH2-OD1 2.69Å; R500-D503 IonicContact NH2-OD2 3.19Å; R500-D503 PolarHBondContact NH2-OD2 3.33Å; R500-D503 PolarHBondContact O-N 3.19Å; Y501-D503 PolarHBondContact O-N 3.34Å; D503-K506 WeakPolarHBondContact O-CB 3.45Å; D503-K506 PolarHBondContact O-N 3.37Å; D503-K507 PolarHBondContact O-N 3.48Å; D503-K507 VanDerWaalsContact O-N 3.1Å |
| 504 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | R500 Y501 K506 K507 C508 I564 | R500-A504 PolarHBondContact O-N 2.85Å; R500-A504 VanDerWaalsContact O-N 3.16Å; Y501-A504 PolarHBondContact O-N 3.44Å; A504-K506 PolarHBondContact O-N 3.34Å; A504-K507 PolarHBondContact O-N 3.42Å; A504-C508 PolarHBondContact O-N 3.2Å; A504-C508 PolarHBondContact O-SG 3.33Å; A504-C508 VanDerWaalsContact O-SG 3.37Å; A504-I564 HydrophobicContact CB-CD1 3.51Å |
| 505 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -41.8 | 176.3 | -73.1 | 174.7 | 0 | 0 | 0 | 111.9 | Y501 G502 K507 C508 H509 A561 I564 Y565 L568 L647 | Y501-L505 WeakPolarHBondContact O-CB 3.46Å; Y501-L505 WeakPolarHBondContact O-CG 3.47Å; Y501-L505 PolarHBondContact O-N 3.23Å; G502-L505 PolarHBondContact O-N 2.89Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 3.49Å; L505-C508 WeakPolarHBondContact O-CB 3.19Å; L505-C508 PolarHBondContact O-N 3.19Å; L505-C508 VanDerWaalsContact O-N 3.11Å; L505-H509 PolarHBondContact O-CD2 3.43Å; L505-H509 PolarHBondContact O-N 3.3Å; L505-A561 HydrophobicContact CD2-CB 4.31Å; L505-I564 HydrophobicContact CD1-CG2 3.92Å; L505-I564 HydrophobicContact CD2-CB 4.15Å; L505-I564 HydrophobicContact CD2-CD1 4.4Å; L505-I564 HydrophobicContact CD2-CG2 3.92Å; L505-I564 HydrophobicContact CG-CB 4.5Å; L505-I564 HydrophobicContact CG-CD1 4.49Å; L505-I564 HydrophobicContact CG-CG2 3.81Å; L505-Y565 HydrophobicContact CD1-CD1 4.32Å; L505-Y565 HydrophobicContact CD1-CE1 3.71Å; L505-Y565 HydrophobicContact CD2-CD1 4.43Å; L505-Y565 HydrophobicContact CD2-CD2 4.21Å; L505-Y565 HydrophobicContact CD2-CE1 3.97Å; L505-Y565 HydrophobicContact CD2-CE2 3.71Å; L505-L568 HydrophobicContact CD1-CD1 3.99Å; L505-L647 HydrophobicContact CB-CB 4.1Å; L505-L647 HydrophobicContact CB-CD1 4.35Å; L505-L647 HydrophobicContact CD1-CB 4.24Å |
| 506 | K | 97.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 39.3 Ų | 39.3 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -53.4 | -48.2 | 173.5 | 174.4 | 175.2 | 178.9 | 173.3 | 0 | 111 | G502 D503 A504 H509 E510 L642 P644 L647 | G502-K506 PolarHBondContact O-N 2.95Å; D503-K506 WeakPolarHBondContact O-CB 3.45Å; D503-K506 PolarHBondContact O-N 3.37Å; A504-K506 PolarHBondContact O-N 3.34Å; K506-H509 PolarHBondContact O-N 3.48Å; K506-E510 WeakPolarHBondContact CE-OE1 3.47Å; K506-E510 WeakPolarHBondContact O-CG 3.11Å; K506-E510 PolarHBondContact O-N 2.96Å; K506-L642 HydrophobicContact CD-CB 4.49Å; K506-L642 HydrophobicContact CG-CB 3.99Å; K506-P644 HydrophobicContact CB-CG 4.38Å; K506-P644 HydrophobicContact CD-CG 3.95Å; K506-L647 HydrophobicContact CB-CD1 4.13Å |
| 507 | K | 97.7 | Very high | 96.3 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.7 | -35.2 | 177.2 | -65.1 | -49 | -174.6 | -169.7 | 0 | 113.2 | C491 I492 Y495 D503 A504 L505 E510 V511 | C491-K507 HydrophobicContact CB-CG 4.32Å; I492-K507 HydrophobicContact CD1-CB 4.15Å; I492-K507 HydrophobicContact CG1-CB 3.43Å; I492-K507 VanDerWaalsContact CG1-CB 3.43Å; Y495-K507 HydrophobicContact CD2-CG 4.37Å; Y495-K507 HydrophobicContact CE2-CG 4.19Å; D503-K507 PolarHBondContact O-N 3.48Å; D503-K507 VanDerWaalsContact O-N 3.1Å; A504-K507 PolarHBondContact O-N 3.42Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 3.49Å; K507-E510 WeakPolarHBondContact CD-OE2 3.13Å; K507-E510 WeakPolarHBondContact CE-OE2 3.49Å; K507-E510 IonicContact NZ-OE1 3.92Å; K507-E510 PolarHBondContact NZ-OE1 2.92Å; K507-E510 IonicContact NZ-OE2 3.63Å; K507-E510 PolarHBondContact NZ-OE2 3.38Å; K507-E510 PolarHBondContact O-N 3.34Å; K507-V511 WeakPolarHBondContact O-CG2 3.4Å; K507-V511 PolarHBondContact O-N 2.91Å; K507-V511 VanDerWaalsContact O-N 3.11Å |
| 508 | C | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 171.8 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | I492 A504 L505 V511 E512 A557 A561 F660 | I492-C508 HydrophobicContact CD1-CB 4.35Å; A504-C508 PolarHBondContact O-N 3.2Å; A504-C508 PolarHBondContact O-SG 3.33Å; A504-C508 VanDerWaalsContact O-SG 3.37Å; L505-C508 WeakPolarHBondContact O-CB 3.19Å; L505-C508 PolarHBondContact O-N 3.19Å; L505-C508 VanDerWaalsContact O-N 3.11Å; C508-V511 PolarHBondContact O-N 3.46Å; C508-E512 PolarHBondContact O-N 2.94Å; C508-E512 VanDerWaalsContact O-N 3.1Å; C508-A557 PolarHBondContact SG-O 3.05Å; C508-A557 VanDerWaalsContact SG-O 3.33Å; C508-A561 HydrophobicContact CB-CB 3.93Å; C508-F660 HydrophobicContact CB-CZ 4.35Å |
| 509 | H | 97.5 | Very high | 96.6 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 14% | 0.144 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.4 | -35.3 | 178.6 | -79.8 | -77.1 | 0 | 0 | 0 | 112.7 | L505 K506 V511 E512 R513 Y565 L642 F660 | L505-H509 PolarHBondContact O-CD2 3.43Å; L505-H509 PolarHBondContact O-N 3.3Å; K506-H509 PolarHBondContact O-N 3.48Å; H509-V511 VanDerWaalsContact C-N 3.34Å; H509-E512 PolarHBondContact O-N 3.35Å; H509-R513 WeakPolarHBondContact O-CG 3.22Å; H509-R513 PolarHBondContact O-N 3.31Å; H509-Y565 PolarHBondContact NE2-OH 3.1Å; H509-L642 HydrophobicContact CB-CD1 3.74Å; H509-L642 HydrophobicContact CB-CD2 3.9Å; H509-L642 HydrophobicContact CB-CG 4.48Å; H509-F660 AromaticContact CE1-CE2 3.71Å; H509-F660 AromaticContact CE1-CZ 3.88Å; H509-F660 AromaticContact ND1-CZ 3.95Å; H509-F660 AromaticContact NE2-CE2 3.9Å |
| 510 | E | 97.4 | Very high | 96.7 | Very high | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 170.3 | -72.9 | 172.8 | -165.1 | 0 | 0 | 111.6 | N480 Q488 K506 K507 R513 H514 L642 | N480-E510 PolarHBondContact OD1-OE2 2.79Å; Q488-E510 PolarHBondContact NE2-OE2 2.69Å; K506-E510 WeakPolarHBondContact CE-OE1 3.47Å; K506-E510 WeakPolarHBondContact O-CG 3.11Å; K506-E510 PolarHBondContact O-N 2.96Å; K507-E510 WeakPolarHBondContact CD-OE2 3.13Å; K507-E510 WeakPolarHBondContact CE-OE2 3.49Å; K507-E510 IonicContact NZ-OE1 3.92Å; K507-E510 PolarHBondContact NZ-OE1 2.92Å; K507-E510 IonicContact NZ-OE2 3.63Å; K507-E510 PolarHBondContact NZ-OE2 3.38Å; K507-E510 PolarHBondContact O-N 3.34Å; E510-R513 WeakPolarHBondContact O-CB 3.29Å; E510-R513 PolarHBondContact O-N 3.49Å; E510-H514 PolarHBondContact O-CD2 3.01Å; E510-H514 PolarHBondContact O-N 2.84Å; E510-H514 VanDerWaalsContact O-N 3.14Å; E510-L642 HydrophobicContact CG-CD1 3.93Å |
| 511 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 176.3 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | Q488 T489 I492 K507 C508 H509 R513 H514 F515 A557 | Q488-V511 HydrophobicContact CB-CG2 3.91Å; T489-V511 HydrophobicContact CG2-CG2 4.33Å; I492-V511 HydrophobicContact CD1-CG2 4.48Å; K507-V511 WeakPolarHBondContact O-CG2 3.4Å; K507-V511 PolarHBondContact O-N 2.91Å; K507-V511 VanDerWaalsContact O-N 3.11Å; C508-V511 PolarHBondContact O-N 3.46Å; H509-V511 VanDerWaalsContact C-N 3.34Å; V511-R513 VanDerWaalsContact C-N 3.29Å; V511-R513 PolarHBondContact O-N 3.44Å; V511-H514 WeakPolarHBondContact O-CB 3.02Å; V511-H514 PolarHBondContact O-N 3.35Å; V511-H514 VanDerWaalsContact O-N 3.16Å; V511-F515 HydrophobicContact CG1-CD2 4.02Å; V511-F515 HydrophobicContact CG1-CE2 3.84Å; V511-F515 VanDerWaalsContact O-CD2 3.32Å; V511-F515 WeakPolarHBondContact O-CD2 3.09Å; V511-F515 PolarHBondContact O-N 3.3Å; V511-A557 HydrophobicContact CB-CB 3.89Å; V511-A557 HydrophobicContact CG1-CB 3.74Å; V511-A557 HydrophobicContact CG2-CB 4.33Å |
| 512 | E | 97.1 | Very high | 96.8 | Very high | 47 Ų | 47 | 30.2 Ų | 30.2 | 22% | 0.22 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.4 | -37 | 175.2 | 170.6 | 53.9 | -162.6 | 0 | 0 | 112.3 | C508 H509 H514 F515 F516 R549 Y554 F660 | C508-E512 PolarHBondContact O-N 2.94Å; C508-E512 VanDerWaalsContact O-N 3.1Å; H509-E512 PolarHBondContact O-N 3.35Å; E512-H514 VanDerWaalsContact C-N 3.28Å; E512-H514 PolarHBondContact O-N 3.22Å; E512-F515 PolarHBondContact O-N 2.84Å; E512-F516 PolarHBondContact O-N 3.05Å; E512-R549 IonicContact OE1-CZ 3.59Å; E512-R549 IonicContact OE1-NE 2.79Å; E512-R549 PolarHBondContact OE1-NE 2.98Å; E512-R549 IonicContact OE1-NH2 3.13Å; E512-R549 PolarHBondContact OE1-NH2 3.24Å; E512-R549 IonicContact OE2-CZ 2.64Å; E512-R549 IonicContact OE2-NE 3.69Å; E512-R549 PolarHBondContact OE2-NE 3.33Å; E512-R549 IonicContact OE2-NH2 2.68Å; E512-Y554 WeakPolarHBondContact OE2-CE2 3.48Å; E512-F660 HydrophobicContact CB-CE1 4.04Å; E512-F660 HydrophobicContact CB-CZ 4.48Å |
| 513 | R | 96.2 | Very high | 96.8 | Very high | 76 Ų | 76 | 31.3 Ų | 31.3 | 29% | 0.287 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.7 | -39 | 174.5 | -76.7 | 175.3 | 178.6 | -163.4 | -4.4 | 112.1 | H509 E510 V511 F516 E517 E640 L642 | H509-R513 WeakPolarHBondContact O-CG 3.22Å; H509-R513 PolarHBondContact O-N 3.31Å; E510-R513 WeakPolarHBondContact O-CB 3.29Å; E510-R513 PolarHBondContact O-N 3.49Å; V511-R513 VanDerWaalsContact C-N 3.29Å; V511-R513 PolarHBondContact O-N 3.44Å; R513-F516 PolarHBondContact O-N 3.39Å; R513-E517 WeakPolarHBondContact O-CB 3.27Å; R513-E517 PolarHBondContact O-N 2.97Å; R513-E640 PolarHBondContact NH1-O 2.99Å; R513-E640 PolarHBondContact NH2-O 2.91Å; R513-L642 VanDerWaalsContact CZ-CG 3.41Å; R513-L642 VanDerWaalsContact NH2-CD2 3.32Å |
| 514 | H | 97.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 175.1 | -60.4 | -29.6 | 0 | 0 | 0 | 111.9 | N480 M485 Q488 E510 V511 E512 F516 E517 I518 | N480-H514 PolarHBondContact O-CE1 3.37Å; N480-H514 PolarHBondContact OD1-CE1 3.01Å; N480-H514 VanDerWaalsContact OD1-CE1 3.31Å; N480-H514 PolarHBondContact OD1-NE2 3.15Å; M485-H514 HydrophobicContact CE-CB 3.53Å; Q488-H514 PolarHBondContact NE2-NE2 3.05Å; Q488-H514 PolarHBondContact OE1-CD2 3.47Å; Q488-H514 VanDerWaalsContact OE1-CD2 3.22Å; Q488-H514 PolarHBondContact OE1-NE2 3.18Å; E510-H514 PolarHBondContact O-CD2 3.01Å; E510-H514 PolarHBondContact O-N 2.84Å; E510-H514 VanDerWaalsContact O-N 3.14Å; V511-H514 WeakPolarHBondContact O-CB 3.02Å; V511-H514 PolarHBondContact O-N 3.35Å; V511-H514 VanDerWaalsContact O-N 3.16Å; E512-H514 VanDerWaalsContact C-N 3.28Å; E512-H514 PolarHBondContact O-N 3.22Å; H514-F516 VanDerWaalsContact C-N 3.3Å; H514-F516 PolarHBondContact O-N 2.83Å; H514-E517 PolarHBondContact O-N 2.65Å; H514-I518 WeakPolarHBondContact O-CB 3.22Å; H514-I518 WeakPolarHBondContact O-CD1 3.4Å; H514-I518 VanDerWaalsContact O-CG1 3.23Å; H514-I518 WeakPolarHBondContact O-CG1 3.41Å; H514-I518 PolarHBondContact O-N 3.03Å |
| 515 | F | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -38.3 | 175.1 | -82.5 | -84.1 | 0 | 0 | 0 | 112.2 | M485 V511 E512 T519 L548 R549 H551 F553 Y554 | M485-F515 HydrophobicContact CE-CD2 4.31Å; M485-F515 HydrophobicContact CE-CE2 4Å; M485-F515 HydrophobicContact CE-CZ 4.37Å; M485-F515 HydrophobicContact SD-CE2 3.73Å; M485-F515 HydrophobicContact SD-CZ 4.09Å; V511-F515 HydrophobicContact CG1-CD2 4.02Å; V511-F515 HydrophobicContact CG1-CE2 3.84Å; V511-F515 VanDerWaalsContact O-CD2 3.32Å; V511-F515 WeakPolarHBondContact O-CD2 3.09Å; V511-F515 PolarHBondContact O-N 3.3Å; E512-F515 PolarHBondContact O-N 2.84Å; F515-T519 WeakPolarHBondContact O-CB 3.31Å; F515-T519 PolarHBondContact O-N 3.42Å; F515-T519 VanDerWaalsContact O-N 3.12Å; F515-T519 PolarHBondContact O-OG1 2.97Å; F515-L548 HydrophobicContact CD1-CD2 3.86Å; F515-L548 HydrophobicContact CD1-CG 3.81Å; F515-L548 HydrophobicContact CE1-CG 4.11Å; F515-L548 WeakPolarHBondContact CE1-O 3.31Å; F515-R549 HydrophobicContact CB-CG 4.23Å; F515-R549 HydrophobicContact CD1-CG 3.89Å; F515-R549 HydrophobicContact CG-CG 4.2Å; F515-H551 HydrophobicContact CE1-CB 3.91Å; F515-H551 HydrophobicContact CZ-CB 3.94Å; F515-F553 HydrophobicContact CE2-CB 4.28Å; F515-F553 HydrophobicContact CZ-CB 4.3Å; F515-Y554 AromaticContact CD2-CD2 3.96Å; F515-Y554 HydrophobicContact CD2-CD2 3.96Å; F515-Y554 HydrophobicContact CE2-CD2 4.32Å; F515-Y554 HydrophobicContact CG-CD2 4.21Å |
| 516 | F | 95.5 | Very high | 96.7 | Very high | 95 Ų | 95 | 39.3 Ų | 39.3 | 42% | 0.417 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.3 | -43 | 173.6 | 176.7 | -95.6 | 0 | 0 | 0 | 112.3 | K94 E512 R513 H514 T519 D520 | K94-F516 HydrophobicContact CB-CZ 4.03Å; K94-F516 HydrophobicContact CD-CE1 3.52Å; K94-F516 HydrophobicContact CD-CZ 3.82Å; E512-F516 PolarHBondContact O-N 3.05Å; R513-F516 PolarHBondContact O-N 3.39Å; H514-F516 VanDerWaalsContact C-N 3.3Å; H514-F516 PolarHBondContact O-N 2.83Å; F516-T519 PolarHBondContact O-N 2.83Å; F516-D520 PolarHBondContact O-N 3.05Å |
| 517 | E | 95.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 39 Ų | 39 | 28% | 0.28 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.8 | -46.4 | 178.5 | -168.6 | 160.3 | 171.3 | 0 | 0 | 111.7 | R513 H514 T519 D520 D521 K639 | R513-E517 WeakPolarHBondContact O-CB 3.27Å; R513-E517 PolarHBondContact O-N 2.97Å; H514-E517 PolarHBondContact O-N 2.65Å; E517-T519 VanDerWaalsContact C-N 3.33Å; E517-T519 PolarHBondContact O-N 2.87Å; E517-D520 CarbonylContact O-C 3.51Å; E517-D520 WeakPolarHBondContact O-CA 3.39Å; E517-D520 VanDerWaalsContact O-CB 3.31Å; E517-D520 WeakPolarHBondContact O-CB 3.49Å; E517-D520 PolarHBondContact O-N 3.47Å; E517-D521 VanDerWaalsContact O-CG 3.27Å; E517-D521 PolarHBondContact O-N 2.97Å; E517-K639 IonicContact OE2-NZ 2.84Å; E517-K639 PolarHBondContact OE2-NZ 3.29Å |
| 518 | I | 97.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 43 Ų | 43 | 20% | 0.195 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 175.6 | -65.1 | 162.5 | 0 | 0 | 0 | 111.2 | M485 H514 D520 D521 L548 | M485-I518 HydrophobicContact CE-CD1 3.8Å; H514-I518 WeakPolarHBondContact O-CB 3.22Å; H514-I518 WeakPolarHBondContact O-CD1 3.4Å; H514-I518 VanDerWaalsContact O-CG1 3.23Å; H514-I518 WeakPolarHBondContact O-CG1 3.41Å; H514-I518 PolarHBondContact O-N 3.03Å; I518-D520 PolarHBondContact O-N 2.91Å; I518-D521 WeakPolarHBondContact O-CB 3.29Å; I518-D521 PolarHBondContact O-N 3.1Å; I518-L548 HydrophobicContact CB-CD2 3.9Å; I518-L548 HydrophobicContact CG2-CD1 3.97Å; I518-L548 HydrophobicContact CG2-CD2 3.63Å; I518-L548 HydrophobicContact CG2-CG 4.46Å |
| 519 | T | 95.9 | Very high | 96.4 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 18% | 0.184 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -33.2 | 174.7 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | Q126 F515 F516 E517 Q522 E545 L548 R549 | Q126-T519 PolarHBondContact NE2-O 2.96Å; F515-T519 WeakPolarHBondContact O-CB 3.31Å; F515-T519 PolarHBondContact O-N 3.42Å; F515-T519 VanDerWaalsContact O-N 3.12Å; F515-T519 PolarHBondContact O-OG1 2.97Å; F516-T519 PolarHBondContact O-N 2.83Å; E517-T519 VanDerWaalsContact C-N 3.33Å; E517-T519 PolarHBondContact O-N 2.87Å; T519-Q522 VanDerWaalsContact O-CG 3.32Å; T519-Q522 WeakPolarHBondContact O-CG 3.46Å; T519-Q522 PolarHBondContact O-NE2 2.98Å; T519-E545 VanDerWaalsContact CA-OE2 3.29Å; T519-E545 WeakPolarHBondContact CA-OE2 3.43Å; T519-E545 PolarHBondContact OG1-OE2 3.45Å; T519-L548 WeakPolarHBondContact OG1-CD2 3.09Å; T519-R549 PolarHBondContact OG1-NH1 3.37Å |
| 520 | D | 94.8 | Very high | 96.1 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75 | -33.1 | 177.2 | -157.7 | 80 | 0 | 0 | 0 | 112 | K94 Y96 F516 E517 I518 Q522 F523 | K94-D520 WeakPolarHBondContact CD-OD1 3.2Å; K94-D520 WeakPolarHBondContact CD-OD2 3.38Å; K94-D520 WeakPolarHBondContact CE-OD2 3.48Å; K94-D520 VanDerWaalsContact NZ-CG 3.29Å; K94-D520 IonicContact NZ-OD1 3.3Å; K94-D520 IonicContact NZ-OD2 2.67Å; K94-D520 PolarHBondContact NZ-OD2 3.44Å; Y96-D520 PolarHBondContact OH-OD1 2.96Å; F516-D520 PolarHBondContact O-N 3.05Å; E517-D520 CarbonylContact O-C 3.51Å; E517-D520 WeakPolarHBondContact O-CA 3.39Å; E517-D520 VanDerWaalsContact O-CB 3.31Å; E517-D520 WeakPolarHBondContact O-CB 3.49Å; E517-D520 PolarHBondContact O-N 3.47Å; I518-D520 PolarHBondContact O-N 2.91Å; D520-Q522 PolarHBondContact O-N 3.37Å; D520-Q522 VanDerWaalsContact O-N 3.09Å; D520-F523 WeakPolarHBondContact O-CB 3.07Å; D520-F523 PolarHBondContact O-N 3.31Å |
| 521 | D | 95.9 | Very high | 95.9 | Very high | 82 Ų | 82 | 49.3 Ų | 49.3 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.1 | -24.5 | -179.7 | -70.5 | -26.3 | 0 | 0 | 0 | 112.6 | E517 I518 F523 F525 | E517-D521 VanDerWaalsContact O-CG 3.27Å; E517-D521 PolarHBondContact O-N 2.97Å; I518-D521 WeakPolarHBondContact O-CB 3.29Å; I518-D521 PolarHBondContact O-N 3.1Å; D521-F523 PolarHBondContact O-N 3.17Å; D521-F525 WeakPolarHBondContact O-CD2 3.5Å; D521-F525 WeakPolarHBondContact O-CE2 3.46Å |
| 522 | Q | 96.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 2% | 0.023 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.4 | 175.6 | 89 | -172.9 | -89.7 | 0 | 0 | 113.3 | T519 D520 D524 F525 H526 L541 E545 | T519-Q522 VanDerWaalsContact O-CG 3.32Å; T519-Q522 WeakPolarHBondContact O-CG 3.46Å; T519-Q522 PolarHBondContact O-NE2 2.98Å; D520-Q522 PolarHBondContact O-N 3.37Å; D520-Q522 VanDerWaalsContact O-N 3.09Å; Q522-D524 PolarHBondContact O-N 3.47Å; Q522-F525 WeakPolarHBondContact O-CB 3.44Å; Q522-F525 PolarHBondContact O-N 2.85Å; Q522-H526 PolarHBondContact O-N 3.46Å; Q522-L541 HydrophobicContact CB-CD2 4.29Å; Q522-L541 HydrophobicContact CB-CG 4.5Å; Q522-E545 HydrophobicContact CB-CG 4.08Å; Q522-E545 HydrophobicContact CG-CG 4.49Å |
| 523 | F | 96 | Very high | 95.4 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | -168.3 | -174.4 | -98.2 | 0 | 0 | 0 | 113.1 | Y96 L122 L123 Q126 D520 D521 F525 H526 | Y96-F523 HydrophobicContact CE1-CD2 4.46Å; Y96-F523 HydrophobicContact CE1-CE2 4.48Å; L122-F523 HydrophobicContact CB-CE2 4.02Å; L122-F523 HydrophobicContact CB-CZ 3.94Å; L122-F523 HydrophobicContact CD1-CZ 4.49Å; L123-F523 HydrophobicContact CD2-CE2 3.65Å; L123-F523 HydrophobicContact CD2-CZ 4Å; Q126-F523 HydrophobicContact CB-CD2 4.12Å; Q126-F523 HydrophobicContact CB-CE2 4.44Å; Q126-F523 HydrophobicContact CG-CD2 4.08Å; D520-F523 WeakPolarHBondContact O-CB 3.07Å; D520-F523 PolarHBondContact O-N 3.31Å; D521-F523 PolarHBondContact O-N 3.17Å; F523-F525 VanDerWaalsContact C-N 3.26Å; F523-F525 PolarHBondContact O-N 3.35Å; F523-H526 WeakPolarHBondContact O-CB 3.23Å; F523-H526 PolarHBondContact O-CD2 2.51Å; F523-H526 PolarHBondContact O-N 3.03Å |
| 524 | D | 94.2 | Very high | 95.4 | Very high | 119 Ų | 119 | 49.3 Ų | 49.3 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -69.7 | -26.9 | 179.8 | -77.1 | -17.2 | 0 | 0 | 0 | 111.9 | Q522 H526 T527 Y528 | Q522-D524 PolarHBondContact O-N 3.47Å; D524-H526 VanDerWaalsContact C-N 3.28Å; D524-H526 PolarHBondContact O-N 3.33Å; D524-T527 PolarHBondContact O-N 3.26Å; D524-T527 PolarHBondContact O-OG1 3.09Å; D524-Y528 PolarHBondContact O-N 2.89Å; D524-Y528 VanDerWaalsContact O-N 3.12Å |
| 525 | F | 97.3 | Very high | 95.4 | Very high | 88 Ų | 88 | 49 Ų | 49 | 39% | 0.386 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.7 | -24.3 | -179.8 | -66.2 | -80.8 | 0 | 0 | 0 | 113.3 | D521 Q522 F523 T527 Y528 C529 L541 | D521-F525 WeakPolarHBondContact O-CD2 3.5Å; D521-F525 WeakPolarHBondContact O-CE2 3.46Å; Q522-F525 WeakPolarHBondContact O-CB 3.44Å; Q522-F525 PolarHBondContact O-N 2.85Å; F523-F525 VanDerWaalsContact C-N 3.26Å; F523-F525 PolarHBondContact O-N 3.35Å; F525-T527 PolarHBondContact O-N 2.69Å; F525-Y528 HydrophobicContact CD1-CD1 4.23Å; F525-Y528 PolarHBondContact O-N 2.67Å; F525-C529 WeakPolarHBondContact O-CB 3.5Å; F525-C529 PolarHBondContact O-N 3.12Å; F525-L541 HydrophobicContact CB-CD2 3.77Å; F525-L541 HydrophobicContact CD2-CD2 4.14Å; F525-L541 HydrophobicContact CG-CD2 3.96Å |
| 526 | H | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.3 | -44.5 | 172.8 | -60.8 | -38.1 | 0 | 0 | 0 | 111.7 | L122 I125 Q126 Q522 F523 D524 M530 Y538 | L122-H526 HydrophobicContact CD2-CB 3.61Å; I125-H526 HydrophobicContact CG2-CB 4.37Å; Q126-H526 PolarHBondContact OE1-NE2 3.24Å; Q522-H526 PolarHBondContact O-N 3.46Å; F523-H526 WeakPolarHBondContact O-CB 3.23Å; F523-H526 PolarHBondContact O-CD2 2.51Å; F523-H526 PolarHBondContact O-N 3.03Å; D524-H526 VanDerWaalsContact C-N 3.28Å; D524-H526 PolarHBondContact O-N 3.33Å; H526-M530 WeakPolarHBondContact O-CE 3.45Å; H526-M530 WeakPolarHBondContact O-CG 3.22Å; H526-Y538 AromaticContact ND1-CE2 3.53Å; H526-Y538 AromaticContact ND1-CZ 3.59Å; H526-Y538 PolarHBondContact ND1-OH 2.93Å |
| 527 | T | 93.9 | Very high | 95.5 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -84.4 | -38.7 | 177 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | L122 D524 F525 R531 | L122-T527 HydrophobicContact CD1-CG2 3.54Å; L122-T527 HydrophobicContact CD2-CG2 3.52Å; L122-T527 HydrophobicContact CG-CG2 4.17Å; D524-T527 PolarHBondContact O-N 3.26Å; D524-T527 PolarHBondContact O-OG1 3.09Å; F525-T527 PolarHBondContact O-N 2.69Å; T527-R531 PolarHBondContact O-N 2.72Å |
| 528 | Y | 96.3 | Very high | 95.6 | Very high | 100 Ų | 100 | 45.7 Ų | 45.7 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63 | -48.8 | -175 | -179.9 | -87.2 | 0 | 0 | 0 | 111.9 | D524 F525 M530 R531 K532 | D524-Y528 PolarHBondContact O-N 2.89Å; D524-Y528 VanDerWaalsContact O-N 3.12Å; F525-Y528 HydrophobicContact CD1-CD1 4.23Å; F525-Y528 PolarHBondContact O-N 2.67Å; Y528-M530 PolarHBondContact O-N 2.99Å; Y528-R531 WeakPolarHBondContact O-CB 3.49Å; Y528-R531 PolarHBondContact O-N 3.33Å; Y528-R531 VanDerWaalsContact O-N 3.09Å; Y528-K532 HydrophobicContact CD1-CB 4.49Å; Y528-K532 HydrophobicContact CD1-CG 4.07Å; Y528-K532 HydrophobicContact CE1-CB 4.19Å; Y528-K532 HydrophobicContact CE1-CG 3.62Å; Y528-K532 HydrophobicContact CE2-CG 4.13Å; Y528-K532 HydrophobicContact CG-CG 4.48Å; Y528-K532 PolarHBondContact O-N 3.36Å |
| 529 | C | 96.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.1 | -34.7 | -175.7 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | F525 R531 K532 M533 T534 Y538 | F525-C529 WeakPolarHBondContact O-CB 3.5Å; F525-C529 PolarHBondContact O-N 3.12Å; C529-R531 PolarHBondContact O-N 3.46Å; C529-K532 PolarHBondContact O-N 3.03Å; C529-M533 WeakPolarHBondContact O-CA 3.28Å; C529-M533 PolarHBondContact O-N 3.4Å; C529-T534 PolarHBondContact O-N 3.22Å; C529-Y538 HydrophobicContact CB-CD2 3.82Å; C529-Y538 HydrophobicContact CB-CG 3.71Å |
| 530 | M | 92.4 | Very high | 95.7 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 6% | 0.059 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -31.4 | 171.2 | -68 | -169.9 | -70.3 | 0 | 0 | 112.4 | I152 H526 Y528 | I152-M530 HydrophobicContact CG2-CG 4.16Å; H526-M530 WeakPolarHBondContact O-CE 3.45Å; H526-M530 WeakPolarHBondContact O-CG 3.22Å; Y528-M530 PolarHBondContact O-N 2.99Å |
| 531 | R | 91.8 | Very high | 95.9 | Very high | 157 Ų | 157 | 46.9 Ų | 46.9 | 59% | 0.592 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -77.4 | -36.4 | 176.6 | -179.2 | 179.7 | 62.5 | -172.5 | -2.6 | 112.3 | T527 Y528 C529 | T527-R531 PolarHBondContact O-N 2.72Å; Y528-R531 WeakPolarHBondContact O-CB 3.49Å; Y528-R531 PolarHBondContact O-N 3.33Å; Y528-R531 VanDerWaalsContact O-N 3.09Å; C529-R531 PolarHBondContact O-N 3.46Å |
| 532 | K | 93.2 | Very high | 96 | Very high | 93 Ų | 93 | 43 Ų | 43 | 40% | 0.404 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -91.6 | -5.1 | -177.9 | -70.1 | -59.6 | -169 | 175.8 | 0 | 114.5 | Y528 C529 T534 | Y528-K532 HydrophobicContact CD1-CB 4.49Å; Y528-K532 HydrophobicContact CD1-CG 4.07Å; Y528-K532 HydrophobicContact CE1-CB 4.19Å; Y528-K532 HydrophobicContact CE1-CG 3.62Å; Y528-K532 HydrophobicContact CE2-CG 4.13Å; Y528-K532 HydrophobicContact CG-CG 4.48Å; Y528-K532 PolarHBondContact O-N 3.36Å; C529-K532 PolarHBondContact O-N 3.03Å; K532-T534 PolarHBondContact O-N 3.5Å |
| 533 | M | 93 | Very high | 96 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 16.4 | 179.6 | -59.7 | -66.9 | -62.6 | 0 | 0 | 114.8 | I152 F174 E188 E191 L192 C529 L535 | I152-M533 HydrophobicContact CD1-CE 3.7Å; I152-M533 HydrophobicContact CD1-SD 3.14Å; I152-M533 WeakPolarHBondContact CD1-SD 3.43Å; I152-M533 HydrophobicContact CG1-CE 4.37Å; I152-M533 HydrophobicContact CG1-SD 4.32Å; F174-M533 HydrophobicContact CE1-CE 4.09Å; E188-M533 HydrophobicContact CB-CB 3.78Å; E188-M533 HydrophobicContact CB-CG 3.75Å; E188-M533 HydrophobicContact CG-CB 3.9Å; E188-M533 HydrophobicContact CG-CG 3.88Å; E191-M533 WeakPolarHBondContact CB-O 3.32Å; L192-M533 HydrophobicContact CB-CE 4.05Å; L192-M533 HydrophobicContact CD1-CE 4.23Å; L192-M533 HydrophobicContact CD2-CE 4.46Å; L192-M533 HydrophobicContact CG-CE 4.48Å; C529-M533 WeakPolarHBondContact O-CA 3.28Å; C529-M533 PolarHBondContact O-N 3.4Å; M533-L535 HydrophobicContact CE-CD1 4.28Å; M533-L535 PolarHBondContact O-N 3.36Å |
| 534 | T | 95.9 | Very high | 96.1 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 17% | 0.172 | 24% | 0.243 | C | C | . | . | trans | -81.3 | 60.2 | 175.4 | 48.9 | 0 | 0 | 0 | 0 | 111 | Y187 C529 K532 Y538 | Y187-T534 HydrophobicContact CE1-CG2 4.11Å; C529-T534 PolarHBondContact O-N 3.22Å; K532-T534 PolarHBondContact O-N 3.5Å; T534-Y538 WeakPolarHBondContact O-CB 3.29Å; T534-Y538 PolarHBondContact O-N 3.3Å; T534-Y538 VanDerWaalsContact O-N 3.08Å | ||
| 535 | L | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.7 | -36 | -165.3 | -54.5 | -174.3 | 0 | 0 | 0 | 113.4 | I152 I156 L192 Y195 M533 Y538 V539 | I152-L535 HydrophobicContact CG1-CD1 4.44Å; I152-L535 HydrophobicContact CG2-CD1 3.96Å; I152-L535 HydrophobicContact CG2-CD2 3.48Å; I152-L535 VanDerWaalsContact CG2-CD2 3.48Å; I152-L535 HydrophobicContact CG2-CG 4.38Å; I156-L535 HydrophobicContact CD1-CD2 4.4Å; L192-L535 HydrophobicContact CD1-CD1 4.2Å; Y195-L535 HydrophobicContact CD1-CB 3.98Å; Y195-L535 HydrophobicContact CD1-CD1 3.61Å; Y195-L535 HydrophobicContact CD1-CG 4.46Å; Y195-L535 HydrophobicContact CD2-CB 3.73Å; Y195-L535 HydrophobicContact CE1-CB 4.36Å; Y195-L535 HydrophobicContact CE1-CD1 4.07Å; Y195-L535 HydrophobicContact CE2-CB 4.12Å; Y195-L535 HydrophobicContact CG-CB 3.64Å; Y195-L535 HydrophobicContact CG-CD1 4.04Å; Y195-L535 HydrophobicContact CG-CG 4.47Å; M533-L535 HydrophobicContact CE-CD1 4.28Å; M533-L535 PolarHBondContact O-N 3.36Å; L535-Y538 WeakPolarHBondContact O-CB 3.38Å; L535-Y538 PolarHBondContact O-N 2.73Å; L535-V539 PolarHBondContact O-N 3.03Å |
| 536 | R | 97.6 | Very high | 96.2 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -53.6 | 179.1 | -59.3 | 177.7 | -67.9 | 147.7 | -0.8 | 110.7 | E191 L194 Y195 Q198 Y538 V539 D540 | E191-R536 IonicContact OE1-CZ 3.35Å; E191-R536 IonicContact OE1-NE 3.08Å; E191-R536 IonicContact OE1-NH2 2.74Å; E191-R536 PolarHBondContact OE1-NH2 3.44Å; E191-R536 IonicContact OE2-CZ 2.78Å; E191-R536 VanDerWaalsContact OE2-CZ 3.3Å; E191-R536 IonicContact OE2-NE 2.73Å; E191-R536 PolarHBondContact OE2-NE 3.16Å; E191-R536 IonicContact OE2-NH2 3.75Å; E191-R536 PolarHBondContact OE2-NH2 3.01Å; L194-R536 VanDerWaalsContact CD1-NH2 3.32Å; Y195-R536 HydrophobicContact CD2-CG 3.87Å; Y195-R536 HydrophobicContact CG-CG 4.37Å; Q198-R536 VanDerWaalsContact OE1-CG 3.27Å; R536-Y538 PolarHBondContact O-N 3.35Å; R536-V539 PolarHBondContact O-N 3.47Å; R536-V539 VanDerWaalsContact O-N 3.08Å; R536-D540 PolarHBondContact O-N 2.82Å |
| 537 | A | 97.9 | Very high | 96.2 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.8 | -33.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | L541 | A537-L541 WeakPolarHBondContact O-CB 3.46Å; A537-L541 PolarHBondContact O-N 3.34Å |
| 538 | Y | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -47.9 | 174.6 | 177.9 | -120.6 | 0 | 0 | 0 | 112.7 | I125 I156 H526 C529 T534 L535 R536 D540 L541 L542 | I125-Y538 WeakPolarHBondContact CD1-OH 3.3Å; I156-Y538 HydrophobicContact CD1-CD1 3.87Å; I156-Y538 HydrophobicContact CD1-CE1 3.93Å; I156-Y538 HydrophobicContact CG2-CE1 4.25Å; H526-Y538 AromaticContact ND1-CE2 3.53Å; H526-Y538 AromaticContact ND1-CZ 3.59Å; H526-Y538 PolarHBondContact ND1-OH 2.93Å; C529-Y538 HydrophobicContact CB-CD2 3.82Å; C529-Y538 HydrophobicContact CB-CG 3.71Å; T534-Y538 WeakPolarHBondContact O-CB 3.29Å; T534-Y538 PolarHBondContact O-N 3.3Å; T534-Y538 VanDerWaalsContact O-N 3.08Å; L535-Y538 WeakPolarHBondContact O-CB 3.38Å; L535-Y538 PolarHBondContact O-N 2.73Å; R536-Y538 PolarHBondContact O-N 3.35Å; Y538-D540 VanDerWaalsContact C-N 3.29Å; Y538-D540 PolarHBondContact O-N 3.15Å; Y538-L541 WeakPolarHBondContact O-CB 3.25Å; Y538-L541 PolarHBondContact O-N 3.03Å; Y538-L542 HydrophobicContact CD1-CD1 4.28Å; Y538-L542 HydrophobicContact CD2-CG 4.47Å; Y538-L542 HydrophobicContact CE1-CD1 3.77Å; Y538-L542 HydrophobicContact CE1-CG 4.48Å; Y538-L542 HydrophobicContact CE2-CD1 4.24Å; Y538-L542 HydrophobicContact CE2-CD2 4Å; Y538-L542 HydrophobicContact CE2-CG 4.1Å; Y538-L542 WeakPolarHBondContact O-CG 3.32Å; Y538-L542 PolarHBondContact O-N 3.13Å |
| 539 | V | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -37.6 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L160 Y195 L535 R536 L542 R543 | L160-V539 HydrophobicContact CD2-CG1 4.38Å; Y195-V539 HydrophobicContact CE2-CG2 3.79Å; L535-V539 PolarHBondContact O-N 3.03Å; R536-V539 PolarHBondContact O-N 3.47Å; R536-V539 VanDerWaalsContact O-N 3.08Å; V539-L542 PolarHBondContact O-N 3.45Å; V539-R543 HydrophobicContact CG1-CG 4.43Å; V539-R543 VanDerWaalsContact CG1-CZ 3.49Å; V539-R543 VanDerWaalsContact O-CG 3.28Å; V539-R543 WeakPolarHBondContact O-CG 3.48Å; V539-R543 PolarHBondContact O-N 3.43Å |
| 540 | D | 97.8 | Very high | 96.5 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 43% | 0.433 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 174.6 | -68.3 | -21.4 | 0 | 0 | 0 | 112.1 | R536 Y538 R543 L544 | R536-D540 PolarHBondContact O-N 2.82Å; Y538-D540 VanDerWaalsContact C-N 3.29Å; Y538-D540 PolarHBondContact O-N 3.15Å; D540-R543 PolarHBondContact O-N 2.79Å; D540-L544 WeakPolarHBondContact O-CB 3.45Å; D540-L544 PolarHBondContact O-N 3.5Å |
| 541 | L | 98.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -48.6 | 171 | 173.7 | 64.6 | 0 | 0 | 0 | 110.7 | Q522 F525 A537 Y538 R543 L544 E545 | Q522-L541 HydrophobicContact CB-CD2 4.29Å; Q522-L541 HydrophobicContact CB-CG 4.5Å; F525-L541 HydrophobicContact CB-CD2 3.77Å; F525-L541 HydrophobicContact CD2-CD2 4.14Å; F525-L541 HydrophobicContact CG-CD2 3.96Å; A537-L541 WeakPolarHBondContact O-CB 3.46Å; A537-L541 PolarHBondContact O-N 3.34Å; Y538-L541 WeakPolarHBondContact O-CB 3.25Å; Y538-L541 PolarHBondContact O-N 3.03Å; L541-R543 VanDerWaalsContact C-N 3.3Å; L541-R543 PolarHBondContact O-N 2.89Å; L541-L544 WeakPolarHBondContact O-CB 3.23Å; L541-L544 PolarHBondContact O-N 3.42Å; L541-E545 HydrophobicContact CD1-CG 4.02Å; L541-E545 HydrophobicContact CG-CG 4.43Å; L541-E545 WeakPolarHBondContact O-CB 3.28Å; L541-E545 VanDerWaalsContact O-CG 3.27Å; L541-E545 WeakPolarHBondContact O-CG 3.3Å; L541-E545 PolarHBondContact O-N 3.43Å |
| 542 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 179 | -64.1 | 175.9 | 0 | 0 | 0 | 111.8 | I125 R128 L160 Y538 V539 E545 D546 | I125-L542 HydrophobicContact CD1-CD1 3.97Å; I125-L542 HydrophobicContact CG1-CD1 4.39Å; I125-L542 HydrophobicContact CG1-CD2 4.43Å; R128-L542 PolarHBondContact NH2-O 2.97Å; L160-L542 HydrophobicContact CD1-CD1 3.8Å; L160-L542 HydrophobicContact CD2-CD1 4.24Å; Y538-L542 HydrophobicContact CD1-CD1 4.28Å; Y538-L542 HydrophobicContact CD2-CG 4.47Å; Y538-L542 HydrophobicContact CE1-CD1 3.77Å; Y538-L542 HydrophobicContact CE1-CG 4.48Å; Y538-L542 HydrophobicContact CE2-CD1 4.24Å; Y538-L542 HydrophobicContact CE2-CD2 4Å; Y538-L542 HydrophobicContact CE2-CG 4.1Å; Y538-L542 WeakPolarHBondContact O-CG 3.32Å; Y538-L542 PolarHBondContact O-N 3.13Å; V539-L542 PolarHBondContact O-N 3.45Å; L542-E545 PolarHBondContact O-N 3.16Å; L542-D546 PolarHBondContact O-N 3.11Å; L542-D546 VanDerWaalsContact O-N 3.07Å |
| 543 | R | 97.3 | Very high | 97.2 | Very high | 85 Ų | 85 | 47.1 Ų | 47.1 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67 | -38.9 | 177.7 | -71.4 | 168.7 | 179 | 177.8 | -0.7 | 112.4 | H159 E202 V539 D540 L541 | H159-R543 PolarHBondContact NE2-NH2 3.26Å; H159-R543 VanDerWaalsContact NE2-NH2 3.18Å; E202-R543 IonicContact OE1-CZ 3.44Å; E202-R543 VanDerWaalsContact OE1-CZ 3.29Å; E202-R543 IonicContact OE1-NH1 2.65Å; E202-R543 PolarHBondContact OE1-NH1 3.33Å; E202-R543 IonicContact OE1-NH2 3.22Å; E202-R543 PolarHBondContact OE1-NH2 3.2Å; E202-R543 IonicContact OE2-CZ 3.2Å; E202-R543 IonicContact OE2-NH1 2.88Å; E202-R543 IonicContact OE2-NH2 2.74Å; E202-R543 PolarHBondContact OE2-NH2 2.87Å; V539-R543 HydrophobicContact CG1-CG 4.43Å; V539-R543 VanDerWaalsContact CG1-CZ 3.49Å; V539-R543 VanDerWaalsContact O-CG 3.28Å; V539-R543 WeakPolarHBondContact O-CG 3.48Å; V539-R543 PolarHBondContact O-N 3.43Å; D540-R543 PolarHBondContact O-N 2.79Å; L541-R543 VanDerWaalsContact C-N 3.3Å; L541-R543 PolarHBondContact O-N 2.89Å |
| 544 | L | 97.7 | Very high | 97.4 | Very high | 95 Ų | 95 | 47.1 Ų | 47.1 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 173.6 | 172.1 | 63.5 | 0 | 0 | 0 | 110.4 | D540 L541 D546 I547 L548 | D540-L544 WeakPolarHBondContact O-CB 3.45Å; D540-L544 PolarHBondContact O-N 3.5Å; L541-L544 WeakPolarHBondContact O-CB 3.23Å; L541-L544 PolarHBondContact O-N 3.42Å; L544-D546 VanDerWaalsContact C-N 3.3Å; L544-D546 PolarHBondContact O-N 2.71Å; L544-I547 CarbonylContact O-C 3.39Å; L544-I547 WeakPolarHBondContact O-CG1 3.42Å; L544-I547 PolarHBondContact O-N 3.02Å; L544-I547 VanDerWaalsContact O-N 3.07Å; L544-L548 WeakPolarHBondContact O-CA 3.47Å; L544-L548 PolarHBondContact O-N 3.23Å |
| 545 | E | 97.4 | Very high | 97.5 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -36 | -178.6 | -71.3 | -62.6 | 163.1 | 0 | 0 | 112.6 | T519 Q522 L541 L542 I547 L548 | T519-E545 VanDerWaalsContact CA-OE2 3.29Å; T519-E545 WeakPolarHBondContact CA-OE2 3.43Å; T519-E545 PolarHBondContact OG1-OE2 3.45Å; Q522-E545 HydrophobicContact CB-CG 4.08Å; Q522-E545 HydrophobicContact CG-CG 4.49Å; L541-E545 HydrophobicContact CD1-CG 4.02Å; L541-E545 HydrophobicContact CG-CG 4.43Å; L541-E545 WeakPolarHBondContact O-CB 3.28Å; L541-E545 VanDerWaalsContact O-CG 3.27Å; L541-E545 WeakPolarHBondContact O-CG 3.3Å; L541-E545 PolarHBondContact O-N 3.43Å; L542-E545 PolarHBondContact O-N 3.16Å; E545-I547 PolarHBondContact O-N 3.35Å; E545-I547 VanDerWaalsContact O-N 3.13Å; E545-L548 PolarHBondContact O-N 3.03Å; E545-L548 WeakPolarHBondContact OE2-CD2 3.28Å |
| 546 | D | 96.4 | Very high | 97.5 | Very high | 78 Ų | 78 | 51.7 Ų | 51.7 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.3 | -22.9 | 175.8 | -69.1 | -11.3 | 0 | 0 | 0 | 112.8 | R128 L542 L544 L667 | R128-D546 IonicContact CZ-OD1 2.66Å; R128-D546 IonicContact NE-OD1 2.95Å; R128-D546 PolarHBondContact NE-OD1 2.88Å; R128-D546 IonicContact NE-OD2 3.02Å; R128-D546 IonicContact NH2-OD1 2.9Å; R128-D546 PolarHBondContact NH2-OD1 2.77Å; L542-D546 PolarHBondContact O-N 3.11Å; L542-D546 VanDerWaalsContact O-N 3.07Å; L544-D546 VanDerWaalsContact C-N 3.3Å; L544-D546 PolarHBondContact O-N 2.71Å; D546-L667 WeakPolarHBondContact O-CD2 3.43Å |
| 547 | I | 97.1 | Very high | 97.5 | Very high | 80 Ų | 80 | 50.2 Ų | 50.2 | 41% | 0.41 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 13.6 | 180 | 68.2 | 172 | 0 | 0 | 0 | 113.6 | L544 E545 R549 R550 L667 | L544-I547 CarbonylContact O-C 3.39Å; L544-I547 WeakPolarHBondContact O-CG1 3.42Å; L544-I547 PolarHBondContact O-N 3.02Å; L544-I547 VanDerWaalsContact O-N 3.07Å; E545-I547 PolarHBondContact O-N 3.35Å; E545-I547 VanDerWaalsContact O-N 3.13Å; I547-R549 VanDerWaalsContact C-N 3.29Å; I547-R549 PolarHBondContact O-N 2.98Å; I547-R549 VanDerWaalsContact O-N 3.15Å; I547-R550 WeakPolarHBondContact O-CB 3.49Å; I547-R550 PolarHBondContact O-N 3Å; I547-L667 HydrophobicContact CG2-CD2 4.44Å |
| 548 | L | 97.4 | Very high | 97.5 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -54.1 | -44 | -169.9 | -174.1 | 73 | 0 | 0 | 0 | 112.6 | F515 I518 T519 L544 E545 R550 H551 | F515-L548 HydrophobicContact CD1-CD2 3.86Å; F515-L548 HydrophobicContact CD1-CG 3.81Å; F515-L548 HydrophobicContact CE1-CG 4.11Å; F515-L548 WeakPolarHBondContact CE1-O 3.31Å; I518-L548 HydrophobicContact CB-CD2 3.9Å; I518-L548 HydrophobicContact CG2-CD1 3.97Å; I518-L548 HydrophobicContact CG2-CD2 3.63Å; I518-L548 HydrophobicContact CG2-CG 4.46Å; T519-L548 WeakPolarHBondContact OG1-CD2 3.09Å; L544-L548 WeakPolarHBondContact O-CA 3.47Å; L544-L548 PolarHBondContact O-N 3.23Å; E545-L548 PolarHBondContact O-N 3.03Å; E545-L548 WeakPolarHBondContact OE2-CD2 3.28Å; L548-R550 PolarHBondContact O-N 2.95Å; L548-R550 VanDerWaalsContact O-N 3.13Å; L548-H551 WeakPolarHBondContact O-CB 3.49Å; L548-H551 PolarHBondContact O-N 3.36Å; L548-H551 VanDerWaalsContact O-N 3.11Å |
| 549 | R | 97.4 | Very high | 97.5 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 15% | 0.151 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -72.7 | 1.1 | 180 | -72.5 | 176 | 179.6 | 73.7 | -3.1 | 114.1 | E512 F515 T519 I547 H551 Y554 P663 L667 | E512-R549 IonicContact OE1-CZ 3.59Å; E512-R549 IonicContact OE1-NE 2.79Å; E512-R549 PolarHBondContact OE1-NE 2.98Å; E512-R549 IonicContact OE1-NH2 3.13Å; E512-R549 PolarHBondContact OE1-NH2 3.24Å; E512-R549 IonicContact OE2-CZ 2.64Å; E512-R549 IonicContact OE2-NE 3.69Å; E512-R549 PolarHBondContact OE2-NE 3.33Å; E512-R549 IonicContact OE2-NH2 2.68Å; F515-R549 HydrophobicContact CB-CG 4.23Å; F515-R549 HydrophobicContact CD1-CG 3.89Å; F515-R549 HydrophobicContact CG-CG 4.2Å; T519-R549 PolarHBondContact OG1-NH1 3.37Å; I547-R549 VanDerWaalsContact C-N 3.29Å; I547-R549 PolarHBondContact O-N 2.98Å; I547-R549 VanDerWaalsContact O-N 3.15Å; R549-H551 PolarHBondContact O-N 3.43Å; R549-Y554 HydrophobicContact CB-CD1 3.84Å; R549-Y554 HydrophobicContact CB-CD2 4.36Å; R549-Y554 HydrophobicContact CB-CE1 4.17Å; R549-Y554 HydrophobicContact CB-CG 3.93Å; R549-Y554 HydrophobicContact CG-CD1 4.34Å; R549-Y554 HydrophobicContact CG-CD2 3.98Å; R549-Y554 HydrophobicContact CG-CE2 4.22Å; R549-Y554 HydrophobicContact CG-CG 4.05Å; R549-Y554 WeakPolarHBondContact O-CD1 3.49Å; R549-P663 HydrophobicContact CB-CB 4.04Å; R549-P663 HydrophobicContact CG-CB 4.49Å; R549-L667 HydrophobicContact CB-CD1 3.79Å |
| 550 | R | 96.3 | Very high | 97.5 | Very high | 127 Ų | 127 | 52.1 Ų | 52.1 | 48% | 0.479 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -68.3 | -19 | 164.7 | -169.6 | 172.7 | -174.3 | -173.2 | 3.1 | 111.8 | I547 L548 L667 V668 D670 | I547-R550 WeakPolarHBondContact O-CB 3.49Å; I547-R550 PolarHBondContact O-N 3Å; L548-R550 PolarHBondContact O-N 2.95Å; L548-R550 VanDerWaalsContact O-N 3.13Å; R550-L667 HydrophobicContact CB-CB 4.38Å; R550-V668 HydrophobicContact CG-CG2 4.29Å; R550-D670 IonicContact CZ-OD2 2.82Å; R550-D670 IonicContact NH2-OD2 3.23Å; R550-D670 PolarHBondContact NH2-OD2 3.18Å |
| 551 | H | 97.6 | Very high | 97.5 | Very high | 94 Ų | 94 | 48.3 Ų | 48.3 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -58.7 | 142.7 | -177.1 | -167.9 | -95.8 | 0 | 0 | 0 | 113.1 | F515 L548 R549 F553 Y554 F555 | F515-H551 HydrophobicContact CE1-CB 3.91Å; F515-H551 HydrophobicContact CZ-CB 3.94Å; L548-H551 WeakPolarHBondContact O-CB 3.49Å; L548-H551 PolarHBondContact O-N 3.36Å; L548-H551 VanDerWaalsContact O-N 3.11Å; R549-H551 PolarHBondContact O-N 3.43Å; H551-F553 AromaticContact CE1-CD2 3.17Å; H551-F553 WeakPolarHBondContact CE1-CD2 3.41Å; H551-F553 AromaticContact CE1-CE2 3.64Å; H551-F553 AromaticContact CE1-CG 3.78Å; H551-F553 AromaticContact ND1-CD2 3.45Å; H551-F553 WeakPolarHBondContact ND1-CD2 3.39Å; H551-F553 AromaticContact ND1-CG 3.77Å; H551-F553 PolarHBondContact ND1-N 3.06Å; H551-F553 PolarHBondContact O-N 2.78Å; H551-F553 VanDerWaalsContact O-N 3.11Å; H551-Y554 WeakPolarHBondContact O-CB 3.35Å; H551-Y554 PolarHBondContact O-N 3.13Å; H551-F555 PolarHBondContact O-N 3.34Å |
| 552 | A | 96.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -26.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K556 | A552-K556 WeakPolarHBondContact O-CG 3.35Å; A552-K556 PolarHBondContact O-N 2.92Å; A552-K556 VanDerWaalsContact O-N 3.08Å |
| 553 | F | 97.9 | Very high | 97.4 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -41.6 | 174.4 | -70.5 | -45.2 | 0 | 0 | 0 | 112.2 | M485 W486 T489 F515 H551 K556 A557 | M485-F553 HydrophobicContact CB-CB 4.06Å; M485-F553 HydrophobicContact CB-CD1 4.08Å; M485-F553 HydrophobicContact CB-CD2 3.6Å; M485-F553 HydrophobicContact CB-CE1 4.46Å; M485-F553 HydrophobicContact CB-CE2 4.05Å; M485-F553 HydrophobicContact CB-CG 3.67Å; M485-F553 HydrophobicContact CB-CZ 4.47Å; M485-F553 HydrophobicContact CG-CD2 4.26Å; M485-F553 HydrophobicContact CG-CG 4.5Å; M485-F553 HydrophobicContact SD-CB 3.76Å; M485-F553 HydrophobicContact SD-CD2 3.62Å; M485-F553 HydrophobicContact SD-CG 4Å; W486-F553 HydrophobicContact CB-CE1 3.97Å; W486-F553 HydrophobicContact CB-CZ 3.93Å; T489-F553 HydrophobicContact CG2-CD1 4.21Å; F515-F553 HydrophobicContact CE2-CB 4.28Å; F515-F553 HydrophobicContact CZ-CB 4.3Å; H551-F553 AromaticContact CE1-CD2 3.17Å; H551-F553 WeakPolarHBondContact CE1-CD2 3.41Å; H551-F553 AromaticContact CE1-CE2 3.64Å; H551-F553 AromaticContact CE1-CG 3.78Å; H551-F553 AromaticContact ND1-CD2 3.45Å; H551-F553 WeakPolarHBondContact ND1-CD2 3.39Å; H551-F553 AromaticContact ND1-CG 3.77Å; H551-F553 PolarHBondContact ND1-N 3.06Å; H551-F553 PolarHBondContact O-N 2.78Å; H551-F553 VanDerWaalsContact O-N 3.11Å; F553-K556 PolarHBondContact O-N 3.24Å; F553-A557 PolarHBondContact O-N 3.43Å; F553-A557 VanDerWaalsContact O-N 3.11Å |
| 554 | Y | 98.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -49.7 | 175 | -176.5 | -100.7 | 0 | 0 | 0 | 110.2 | E512 F515 R549 H551 K556 A557 A558 F660 P663 L664 | E512-Y554 WeakPolarHBondContact OE2-CE2 3.48Å; F515-Y554 AromaticContact CD2-CD2 3.96Å; F515-Y554 HydrophobicContact CD2-CD2 3.96Å; F515-Y554 HydrophobicContact CE2-CD2 4.32Å; F515-Y554 HydrophobicContact CG-CD2 4.21Å; R549-Y554 HydrophobicContact CB-CD1 3.84Å; R549-Y554 HydrophobicContact CB-CD2 4.36Å; R549-Y554 HydrophobicContact CB-CE1 4.17Å; R549-Y554 HydrophobicContact CB-CG 3.93Å; R549-Y554 HydrophobicContact CG-CD1 4.34Å; R549-Y554 HydrophobicContact CG-CD2 3.98Å; R549-Y554 HydrophobicContact CG-CE2 4.22Å; R549-Y554 HydrophobicContact CG-CG 4.05Å; R549-Y554 WeakPolarHBondContact O-CD1 3.49Å; H551-Y554 WeakPolarHBondContact O-CB 3.35Å; H551-Y554 PolarHBondContact O-N 3.13Å; Y554-K556 VanDerWaalsContact C-N 3.32Å; Y554-K556 PolarHBondContact O-N 2.91Å; Y554-A557 PolarHBondContact O-N 3.43Å; Y554-A558 HydrophobicContact CD1-CB 4.33Å; Y554-A558 HydrophobicContact CE1-CB 3.93Å; Y554-A558 VanDerWaalsContact O-CB 3.26Å; Y554-A558 WeakPolarHBondContact O-CB 3.27Å; Y554-A558 PolarHBondContact O-N 3.23Å; Y554-F660 PolarHBondContact OH-O 3.41Å; Y554-P663 HydrophobicContact CE1-CB 3.7Å; Y554-P663 HydrophobicContact CE1-CG 4.26Å; Y554-P663 WeakPolarHBondContact OH-CD 3.39Å; Y554-P663 VanDerWaalsContact OH-CG 3.24Å; Y554-P663 WeakPolarHBondContact OH-CG 3.49Å; Y554-L664 HydrophobicContact CD1-CD2 3.65Å; Y554-L664 HydrophobicContact CE1-CD2 3.6Å; Y554-L664 HydrophobicContact CE1-CG 4.07Å |
| 555 | F | 97.5 | Very high | 97.4 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.1 | -45.2 | 179.2 | -175 | -87.5 | 0 | 0 | 0 | 112.5 | H551 R559 L664 V668 N671 D673 | H551-F555 PolarHBondContact O-N 3.34Å; F555-R559 HydrophobicContact CE1-CB 4.42Å; F555-R559 WeakPolarHBondContact O-CB 3.49Å; F555-R559 PolarHBondContact O-N 3.45Å; F555-L664 HydrophobicContact CB-CD2 4.47Å; F555-L664 HydrophobicContact CD2-CD1 4.31Å; F555-L664 HydrophobicContact CD2-CD2 3.85Å; F555-L664 HydrophobicContact CE2-CD1 4.4Å; F555-V668 HydrophobicContact CD2-CG1 4.28Å; F555-N671 VanDerWaalsContact CE2-ND2 3.32Å; F555-N671 WeakPolarHBondContact CE2-ND2 3.26Å; F555-N671 VanDerWaalsContact CZ-ND2 3.27Å; F555-N671 WeakPolarHBondContact CZ-ND2 3.25Å; F555-D673 HydrophobicContact CZ-CB 3.76Å |
| 556 | K | 97 | Very high | 97.3 | Very high | 96 Ų | 96 | 40 Ų | 40 | 42% | 0.417 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63 | -45.2 | 178.2 | -75.1 | 173.7 | -177 | 174.3 | 0 | 112.7 | T489 A552 F553 Y554 S560 | T489-K556 HydrophobicContact CG2-CB 4.28Å; A552-K556 WeakPolarHBondContact O-CG 3.35Å; A552-K556 PolarHBondContact O-N 2.92Å; A552-K556 VanDerWaalsContact O-N 3.08Å; F553-K556 PolarHBondContact O-N 3.24Å; Y554-K556 VanDerWaalsContact C-N 3.32Å; Y554-K556 PolarHBondContact O-N 2.91Å; K556-S560 WeakPolarHBondContact O-CB 3.45Å; K556-S560 PolarHBondContact O-N 3.42Å; K556-S560 VanDerWaalsContact O-N 3.15Å; K556-S560 PolarHBondContact O-OG 3.14Å |
| 557 | A | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67 | -46.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I492 C508 V511 F553 Y554 S560 A561 | I492-A557 HydrophobicContact CD1-CB 4.07Å; C508-A557 PolarHBondContact SG-O 3.05Å; C508-A557 VanDerWaalsContact SG-O 3.33Å; V511-A557 HydrophobicContact CB-CB 3.89Å; V511-A557 HydrophobicContact CG1-CB 3.74Å; V511-A557 HydrophobicContact CG2-CB 4.33Å; F553-A557 PolarHBondContact O-N 3.43Å; F553-A557 VanDerWaalsContact O-N 3.11Å; Y554-A557 PolarHBondContact O-N 3.43Å; A557-S560 PolarHBondContact O-N 3.1Å; A557-A561 WeakPolarHBondContact O-CB 3.49Å; A557-A561 PolarHBondContact O-N 3.4Å |
| 558 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y554 S560 A561 I562 F660 L664 | Y554-A558 HydrophobicContact CD1-CB 4.33Å; Y554-A558 HydrophobicContact CE1-CB 3.93Å; Y554-A558 VanDerWaalsContact O-CB 3.26Å; Y554-A558 WeakPolarHBondContact O-CB 3.27Å; Y554-A558 PolarHBondContact O-N 3.23Å; A558-S560 PolarHBondContact O-N 3.19Å; A558-A561 PolarHBondContact O-N 3.34Å; A558-I562 WeakPolarHBondContact O-CB 3.17Å; A558-I562 WeakPolarHBondContact O-CD1 3.3Å; A558-I562 WeakPolarHBondContact O-CG1 3.32Å; A558-I562 PolarHBondContact O-N 3.43Å; A558-F660 HydrophobicContact CB-CB 4.03Å; A558-F660 HydrophobicContact CB-CD1 3.97Å; A558-F660 HydrophobicContact CB-CG 4.45Å; A558-L664 HydrophobicContact CB-CD1 3.88Å; A558-L664 HydrophobicContact CB-CD2 4.34Å; A558-L664 HydrophobicContact CB-CG 4.23Å |
| 559 | R | 97.7 | Very high | 96.8 | Very high | 85 Ų | 85 | 41.4 Ų | 41.4 | 32% | 0.321 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.2 | -50.1 | 174.5 | 173.8 | 177.7 | 170.4 | 153.6 | 6.4 | 111.5 | F555 A561 I562 E563 D673 L677 | F555-R559 HydrophobicContact CE1-CB 4.42Å; F555-R559 WeakPolarHBondContact O-CB 3.49Å; F555-R559 PolarHBondContact O-N 3.45Å; R559-A561 PolarHBondContact O-N 2.9Å; R559-I562 PolarHBondContact O-N 2.89Å; R559-E563 HydrophobicContact CG-CG 4.46Å; R559-E563 WeakPolarHBondContact CG-OE1 3.3Å; R559-E563 IonicContact CZ-OE1 2.7Å; R559-E563 IonicContact NE-OE1 3.19Å; R559-E563 PolarHBondContact NE-OE1 3.08Å; R559-E563 IonicContact NH2-OE1 3.75Å; R559-E563 PolarHBondContact NH2-OE1 2.74Å; R559-E563 WeakPolarHBondContact O-CB 3.35Å; R559-E563 WeakPolarHBondContact O-CG 3.32Å; R559-E563 PolarHBondContact O-N 2.95Å; R559-D673 IonicContact CZ-OD2 3.77Å; R559-D673 IonicContact NH1-OD2 2.99Å; R559-D673 PolarHBondContact NH1-OD2 3.36Å; R559-L677 HydrophobicContact CB-CD1 4.26Å; R559-L677 HydrophobicContact CG-CD1 4.22Å |
| 560 | S | 97.7 | Very high | 96.5 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | -178.8 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | K556 A557 A558 E563 I564 | K556-S560 WeakPolarHBondContact O-CB 3.45Å; K556-S560 PolarHBondContact O-N 3.42Å; K556-S560 VanDerWaalsContact O-N 3.15Å; K556-S560 PolarHBondContact O-OG 3.14Å; A557-S560 PolarHBondContact O-N 3.1Å; A558-S560 PolarHBondContact O-N 3.19Å; S560-E563 PolarHBondContact O-N 3.18Å; S560-I564 WeakPolarHBondContact O-CB 3.47Å; S560-I564 WeakPolarHBondContact O-CD1 3.28Å; S560-I564 WeakPolarHBondContact O-CG1 3.34Å; S560-I564 PolarHBondContact O-N 2.94Å |
| 561 | A | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L505 C508 A557 A558 R559 I564 Y565 F660 | L505-A561 HydrophobicContact CD2-CB 4.31Å; C508-A561 HydrophobicContact CB-CB 3.93Å; A557-A561 WeakPolarHBondContact O-CB 3.49Å; A557-A561 PolarHBondContact O-N 3.4Å; A558-A561 PolarHBondContact O-N 3.34Å; R559-A561 PolarHBondContact O-N 2.9Å; A561-I564 PolarHBondContact O-N 2.84Å; A561-Y565 HydrophobicContact CB-CD2 4.46Å; A561-Y565 HydrophobicContact CB-CE2 4.34Å; A561-Y565 WeakPolarHBondContact O-CD2 3.38Å; A561-Y565 PolarHBondContact O-N 2.87Å; A561-F660 HydrophobicContact CB-CD1 4.25Å; A561-F660 HydrophobicContact CB-CD2 3.84Å; A561-F660 HydrophobicContact CB-CE1 4.32Å; A561-F660 HydrophobicContact CB-CE2 3.92Å; A561-F660 HydrophobicContact CB-CG 4.01Å; A561-F660 HydrophobicContact CB-CZ 4.16Å |
| 562 | I | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 177.6 | -67 | 162.4 | 0 | 0 | 0 | 110.5 | A558 R559 I564 Y565 L566 A657 F660 L661 L664 L677 I681 | A558-I562 WeakPolarHBondContact O-CB 3.17Å; A558-I562 WeakPolarHBondContact O-CD1 3.3Å; A558-I562 WeakPolarHBondContact O-CG1 3.32Å; A558-I562 PolarHBondContact O-N 3.43Å; R559-I562 PolarHBondContact O-N 2.89Å; I562-I564 VanDerWaalsContact C-N 3.29Å; I562-I564 PolarHBondContact O-N 3.47Å; I562-Y565 PolarHBondContact O-N 2.69Å; I562-L566 HydrophobicContact CG2-CD1 3.77Å; I562-L566 HydrophobicContact CG2-CG 4.18Å; I562-L566 WeakPolarHBondContact O-CB 3.24Å; I562-L566 WeakPolarHBondContact O-CG 3.27Å; I562-L566 PolarHBondContact O-N 2.98Å; I562-A657 HydrophobicContact CG1-CB 4.38Å; I562-F660 HydrophobicContact CD1-CB 4.3Å; I562-F660 HydrophobicContact CG1-CB 4.11Å; I562-L661 HydrophobicContact CD1-CB 4.11Å; I562-L661 HydrophobicContact CD1-CD1 4.24Å; I562-L664 HydrophobicContact CD1-CD1 4.32Å; I562-L677 HydrophobicContact CB-CD2 4.37Å; I562-L677 HydrophobicContact CD1-CD1 4.27Å; I562-L677 HydrophobicContact CG2-CB 4.32Å; I562-L677 HydrophobicContact CG2-CD2 3.81Å; I562-I681 HydrophobicContact CG1-CD1 4.45Å; I562-I681 HydrophobicContact CG2-CD1 3.74Å; I562-I681 HydrophobicContact CG2-CG1 4.18Å |
| 563 | E | 96.4 | Very high | 95 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 22% | 0.22 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.4 | -41.6 | 177.1 | -74.1 | 174.9 | -173.1 | 0 | 0 | 111.8 | Q496 R559 S560 K567 L677 | Q496-E563 PolarHBondContact NE2-OE2 3.37Å; Q496-E563 VanDerWaalsContact NE2-OE2 3.08Å; R559-E563 HydrophobicContact CG-CG 4.46Å; R559-E563 WeakPolarHBondContact CG-OE1 3.3Å; R559-E563 IonicContact CZ-OE1 2.7Å; R559-E563 IonicContact NE-OE1 3.19Å; R559-E563 PolarHBondContact NE-OE1 3.08Å; R559-E563 IonicContact NH2-OE1 3.75Å; R559-E563 PolarHBondContact NH2-OE1 2.74Å; R559-E563 WeakPolarHBondContact O-CB 3.35Å; R559-E563 WeakPolarHBondContact O-CG 3.32Å; R559-E563 PolarHBondContact O-N 2.95Å; S560-E563 PolarHBondContact O-N 3.18Å; E563-K567 WeakPolarHBondContact O-CG 3.48Å; E563-K567 PolarHBondContact O-N 3.35Å; E563-K567 VanDerWaalsContact O-N 3.09Å; E563-L677 HydrophobicContact CG-CD2 4.45Å |
| 564 | I | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.1 | -47.3 | 177 | -68 | 163.2 | 0 | 0 | 0 | 111 | Q496 Y501 A504 L505 S560 A561 I562 L566 K567 L568 | Q496-I564 HydrophobicContact CG-CD1 4.49Å; Q496-I564 HydrophobicContact CG-CG1 4.31Å; Y501-I564 HydrophobicContact CD1-CG1 4.05Å; Y501-I564 HydrophobicContact CD1-CG2 4.1Å; Y501-I564 HydrophobicContact CG-CG2 4.03Å; A504-I564 HydrophobicContact CB-CD1 3.51Å; L505-I564 HydrophobicContact CD1-CG2 3.92Å; L505-I564 HydrophobicContact CD2-CB 4.15Å; L505-I564 HydrophobicContact CD2-CD1 4.4Å; L505-I564 HydrophobicContact CD2-CG2 3.92Å; L505-I564 HydrophobicContact CG-CB 4.5Å; L505-I564 HydrophobicContact CG-CD1 4.49Å; L505-I564 HydrophobicContact CG-CG2 3.81Å; S560-I564 WeakPolarHBondContact O-CB 3.47Å; S560-I564 WeakPolarHBondContact O-CD1 3.28Å; S560-I564 WeakPolarHBondContact O-CG1 3.34Å; S560-I564 PolarHBondContact O-N 2.94Å; A561-I564 PolarHBondContact O-N 2.84Å; I562-I564 VanDerWaalsContact C-N 3.29Å; I562-I564 PolarHBondContact O-N 3.47Å; I564-L566 VanDerWaalsContact C-N 3.32Å; I564-L566 PolarHBondContact O-N 3.1Å; I564-K567 WeakPolarHBondContact O-CB 3.31Å; I564-K567 PolarHBondContact O-N 2.87Å; I564-K567 VanDerWaalsContact O-N 3.14Å; I564-L568 HydrophobicContact CG2-CD1 3.9Å; I564-L568 HydrophobicContact CG2-CG 4.24Å; I564-L568 WeakPolarHBondContact O-CG 3.16Å; I564-L568 PolarHBondContact O-N 3.19Å |
| 565 | Y | 97.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.7 | -35 | 179.3 | -74.8 | -52.1 | 0 | 0 | 0 | 112.9 | L505 H509 A561 I562 L568 Y569 V650 P653 E656 A657 F660 | L505-Y565 HydrophobicContact CD1-CD1 4.32Å; L505-Y565 HydrophobicContact CD1-CE1 3.71Å; L505-Y565 HydrophobicContact CD2-CD1 4.43Å; L505-Y565 HydrophobicContact CD2-CD2 4.21Å; L505-Y565 HydrophobicContact CD2-CE1 3.97Å; L505-Y565 HydrophobicContact CD2-CE2 3.71Å; H509-Y565 PolarHBondContact NE2-OH 3.1Å; A561-Y565 HydrophobicContact CB-CD2 4.46Å; A561-Y565 HydrophobicContact CB-CE2 4.34Å; A561-Y565 WeakPolarHBondContact O-CD2 3.38Å; A561-Y565 PolarHBondContact O-N 2.87Å; I562-Y565 PolarHBondContact O-N 2.69Å; Y565-L568 HydrophobicContact CD1-CD1 4.3Å; Y565-L568 PolarHBondContact O-N 3.22Å; Y565-Y569 WeakPolarHBondContact O-CB 3.43Å; Y565-Y569 PolarHBondContact O-N 3.09Å; Y565-V650 HydrophobicContact CD1-CG1 4.32Å; Y565-V650 HydrophobicContact CE1-CG1 3.95Å; Y565-P653 HydrophobicContact CD1-CB 3.98Å; Y565-P653 HydrophobicContact CG-CB 4.49Å; Y565-E656 HydrophobicContact CD1-CB 4.35Å; Y565-E656 HydrophobicContact CD2-CB 4.09Å; Y565-E656 HydrophobicContact CE1-CB 3.9Å; Y565-E656 HydrophobicContact CE1-CG 4.41Å; Y565-E656 HydrophobicContact CE2-CB 3.61Å; Y565-E656 HydrophobicContact CG-CB 4.44Å; Y565-A657 HydrophobicContact CD2-CB 4.19Å; Y565-A657 HydrophobicContact CG-CB 4.39Å; Y565-F660 HydrophobicContact CE2-CD2 4.27Å; Y565-F660 HydrophobicContact CE2-CE2 4.19Å |
| 566 | L | 95.8 | Very high | 88.7 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 171.4 | -70.3 | 170.1 | 0 | 0 | 0 | 110.8 | I562 I564 Y569 D570 L654 E680 I681 | I562-L566 HydrophobicContact CG2-CD1 3.77Å; I562-L566 HydrophobicContact CG2-CG 4.18Å; I562-L566 WeakPolarHBondContact O-CB 3.24Å; I562-L566 WeakPolarHBondContact O-CG 3.27Å; I562-L566 PolarHBondContact O-N 2.98Å; I564-L566 VanDerWaalsContact C-N 3.32Å; I564-L566 PolarHBondContact O-N 3.1Å; L566-Y569 WeakPolarHBondContact O-CB 3.04Å; L566-Y569 PolarHBondContact O-N 2.84Å; L566-D570 VanDerWaalsContact O-CG 3.31Å; L566-D570 PolarHBondContact O-N 3.4Å; L566-L654 HydrophobicContact CD2-CD2 4.1Å; L566-E680 HydrophobicContact CD1-CB 3.73Å; L566-E680 HydrophobicContact CD1-CG 4.47Å; L566-E680 HydrophobicContact CD2-CB 4.22Å; L566-I681 HydrophobicContact CD2-CG1 3.95Å |
| 567 | K | 92.9 | Very high | 86 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 175.9 | -75.2 | -176.5 | 178.8 | -165.3 | 0 | 113 | E563 I564 Y569 D570 N571 | E563-K567 WeakPolarHBondContact O-CG 3.48Å; E563-K567 PolarHBondContact O-N 3.35Å; E563-K567 VanDerWaalsContact O-N 3.09Å; I564-K567 WeakPolarHBondContact O-CB 3.31Å; I564-K567 PolarHBondContact O-N 2.87Å; I564-K567 VanDerWaalsContact O-N 3.14Å; K567-Y569 VanDerWaalsContact C-N 3.27Å; K567-Y569 PolarHBondContact O-N 3.46Å; K567-D570 PolarHBondContact O-N 2.94Å; K567-N571 PolarHBondContact O-N 3.17Å |
| 568 | L | 93.4 | Very high | 83.4 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -30.3 | 177.3 | -70.3 | 173 | 0 | 0 | 0 | 112.3 | Y501 L505 I564 Y565 N571 P572 L573 | Y501-L568 HydrophobicContact CD2-CD2 4.23Å; L505-L568 HydrophobicContact CD1-CD1 3.99Å; I564-L568 HydrophobicContact CG2-CD1 3.9Å; I564-L568 HydrophobicContact CG2-CG 4.24Å; I564-L568 WeakPolarHBondContact O-CG 3.16Å; I564-L568 PolarHBondContact O-N 3.19Å; Y565-L568 HydrophobicContact CD1-CD1 4.3Å; Y565-L568 PolarHBondContact O-N 3.22Å; L568-N571 CarbonylContact O-C 3.5Å; L568-P572 WeakPolarHBondContact O-CA 3.41Å; L568-L573 HydrophobicContact CD2-CD1 4.34Å; L568-L573 HydrophobicContact CD2-CG 4.19Å |
| 569 | Y | 94.2 | Very high | 80.5 | Confident | 104 Ų | 104 | 67.7 Ų | 67.7 | 41% | 0.408 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.1 | -46 | 172.8 | -179.7 | -93.3 | 0 | 0 | 0 | 111.9 | Y565 L566 K567 L654 R684 | Y565-Y569 WeakPolarHBondContact O-CB 3.43Å; Y565-Y569 PolarHBondContact O-N 3.09Å; L566-Y569 WeakPolarHBondContact O-CB 3.04Å; L566-Y569 PolarHBondContact O-N 2.84Å; K567-Y569 VanDerWaalsContact C-N 3.27Å; K567-Y569 PolarHBondContact O-N 3.46Å; Y569-L654 HydrophobicContact CD1-CD1 4.36Å; Y569-L654 HydrophobicContact CD1-CD2 4.43Å; Y569-L654 HydrophobicContact CD2-CD1 3.69Å; Y569-L654 HydrophobicContact CD2-CD2 4.21Å; Y569-L654 HydrophobicContact CD2-CG 3.65Å; Y569-L654 HydrophobicContact CE1-CD1 4.23Å; Y569-L654 HydrophobicContact CE2-CD1 3.54Å; Y569-L654 HydrophobicContact CE2-CG 4.05Å; Y569-L654 HydrophobicContact CG-CD1 4.09Å; Y569-L654 HydrophobicContact CG-CD2 3.98Å; Y569-L654 HydrophobicContact CG-CG 3.95Å; Y569-R684 HydrophobicContact CD1-CB 4.09Å; Y569-R684 HydrophobicContact CD1-CG 3.99Å; Y569-R684 HydrophobicContact CE1-CB 3.74Å; Y569-R684 HydrophobicContact CE1-CG 3.91Å |
| 570 | D | 90.6 | Very high | 77.7 | Confident | 76 Ų | 76 | 70.2 Ų | 70.2 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | -179.4 | -66.1 | -20.1 | 0 | 0 | 0 | 111.9 | L566 K567 R684 | L566-D570 VanDerWaalsContact O-CG 3.31Å; L566-D570 PolarHBondContact O-N 3.4Å; K567-D570 PolarHBondContact O-N 2.94Å; D570-R684 IonicContact OD1-CZ 3.07Å; D570-R684 IonicContact OD1-NE 2.66Å; D570-R684 PolarHBondContact OD1-NE 2.88Å; D570-R684 IonicContact OD1-NH2 3.32Å; D570-R684 IonicContact OD2-CZ 2.63Å; D570-R684 IonicContact OD2-NE 3.95Å; D570-R684 PolarHBondContact OD2-NE 2.81Å; D570-R684 IonicContact OD2-NH2 3.95Å; D570-R684 PolarHBondContact OD2-NH2 3.26Å |
| 571 | N | 88.7 | Confident | 74.9 | Confident | 126 Ų | 126 | 76 Ų | 76 | 67% | 0.674 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -128 | 79.4 | -178.9 | -61.1 | -42.2 | 0 | 0 | 0 | 110.2 | K567 L568 L573 | K567-N571 PolarHBondContact O-N 3.17Å; L568-N571 CarbonylContact O-C 3.5Å; N571-L573 PolarHBondContact O-N 3.09Å |
| 572 | P | 86.9 | Confident | 72.3 | Confident | 93 Ų | 93 | 81.9 Ų | 81.9 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | trans | -59.3 | 138.7 | 176 | -23.1 | 34 | 0 | 0 | 0 | 111.1 | L568 T574 | L568-P572 WeakPolarHBondContact O-CA 3.41Å; P572-T574 PolarHBondContact O-N 2.92Å | ||
| 573 | L | 82.8 | Confident | 69.5 | Low | 82 Ų | 82 | 88 Ų | 88 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | trans | -60.2 | 115.2 | 175.5 | -64.3 | 173.2 | 0 | 0 | 0 | 109.1 | L568 N571 N575 E648 | L568-L573 HydrophobicContact CD2-CD1 4.34Å; L568-L573 HydrophobicContact CD2-CG 4.19Å; N571-L573 PolarHBondContact O-N 3.09Å; L573-N575 PolarHBondContact O-N 3.39Å; L573-E648 HydrophobicContact CD1-CB 4.06Å; L573-E648 HydrophobicContact CD1-CG 3.76Å | ||
| 574 | T | 62.5 | Low | 66.9 | Low | 96 Ų | 96 | 88.3 Ų | 88.3 | 59% | 0.589 | 45% | 0.453 | S | S | * | . | trans | -62.6 | 126.8 | 174.4 | 36.4 | 0 | 0 | 0 | 0 | 109.6 | P572 E576 | P572-T574 PolarHBondContact O-N 2.92Å; T574-E576 PolarHBondContact O-N 2.94Å | ||
| 575 | N | 54 | Low | 64.5 | Low | 106 Ų | 106 | 96 Ų | 96 | 57% | 0.567 | 49% | 0.489 | S | S | * | . | trans | -52.8 | 130.5 | 171.4 | -73.4 | -25.5 | 0 | 0 | 0 | 109.8 | L573 S577 K578 | L573-N575 PolarHBondContact O-N 3.39Å; N575-S577 VanDerWaalsContact CB-OG 3.29Å; N575-S577 WeakPolarHBondContact CB-OG 3.2Å; N575-S577 PolarHBondContact O-N 3.31Å; N575-K578 PolarHBondContact O-N 2.88Å | ||
| 576 | E | 46.2 | Very low | 62.3 | Low | 148 Ų | 148 | 103.7 Ų | 103.7 | 69% | 0.692 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -52 | -18.8 | 174.9 | -68.3 | -174.7 | 150.8 | 0 | 0 | 113.1 | T574 K578 Q580 | T574-E576 PolarHBondContact O-N 2.94Å; E576-K578 PolarHBondContact O-N 3.26Å; E576-Q580 PolarHBondContact O-N 3.35Å |
| 577 | S | 40.5 | Very low | 60.1 | Low | 72 Ų | 72 | 106.8 Ų | 106.8 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.2 | -30.1 | 173.8 | 45.4 | 0 | 0 | 0 | 0 | 114.4 | N575 | N575-S577 VanDerWaalsContact CB-OG 3.29Å; N575-S577 WeakPolarHBondContact CB-OG 3.2Å; N575-S577 PolarHBondContact O-N 3.31Å |
| 578 | K | 42 | Very low | 58.5 | Low | 139 Ų | 139 | 105.3 Ų | 105.3 | 60% | 0.604 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -82.6 | -27.4 | 178.3 | -77 | -173.6 | 175.8 | -177.8 | 0 | 113.7 | N575 E576 Q580 E581 I582 | N575-K578 PolarHBondContact O-N 2.88Å; E576-K578 PolarHBondContact O-N 3.26Å; K578-Q580 VanDerWaalsContact C-N 3.31Å; K578-E581 PolarHBondContact O-N 2.87Å; K578-I582 WeakPolarHBondContact O-CG1 3.31Å; K578-I582 PolarHBondContact O-N 3.12Å |
| 579 | Q | 37.3 | Very low | 56.6 | Low | 115 Ų | 115 | 109 Ų | 109 | 54% | 0.537 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.2 | -24 | 174.2 | -87.5 | 173.7 | -16.3 | 0 | 0 | 112.8 | N583 | Q579-N583 PolarHBondContact O-N 3.44Å |
| 580 | Q | 38.9 | Very low | 54.8 | Low | 138 Ų | 138 | 112.9 Ų | 112.9 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.4 | -28.9 | 171.9 | -74.7 | -177.2 | -2 | 0 | 0 | 113 | E576 K578 | E576-Q580 PolarHBondContact O-N 3.35Å; K578-Q580 VanDerWaalsContact C-N 3.31Å |
| 581 | E | 38.8 | Very low | 53 | Low | 134 Ų | 134 | 114.7 Ų | 114.7 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.9 | -45.1 | 175.5 | -77.6 | 178.4 | 155.9 | 0 | 0 | 111.8 | K578 N583 S584 | K578-E581 PolarHBondContact O-N 2.87Å; E581-N583 PolarHBondContact O-N 3.05Å; E581-S584 PolarHBondContact O-N 3.11Å; E581-S584 PolarHBondContact O-OG 2.79Å |
| 582 | I | 43.3 | Very low | 51.3 | Low | 123 Ų | 123 | 110.9 Ų | 110.9 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69 | -32.1 | -176.6 | -61.5 | 168.2 | 0 | 0 | 0 | 112.4 | K578 S584 | K578-I582 WeakPolarHBondContact O-CG1 3.31Å; K578-I582 PolarHBondContact O-N 3.12Å; I582-S584 VanDerWaalsContact C-N 3.26Å; I582-S584 PolarHBondContact O-N 3.22Å |
| 583 | N | 40.4 | Very low | 50 | Low | 129 Ų | 129 | 114.5 Ų | 114.5 | 69% | 0.69 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 2.1 | 177.7 | -78.1 | -23.1 | 0 | 0 | 0 | 114.2 | Q579 E581 | Q579-N583 PolarHBondContact O-N 3.44Å; E581-N583 PolarHBondContact O-N 3.05Å |
| 584 | S | 42.5 | Very low | 49 | Very low | 53 Ų | 53 | 118.7 Ų | 118.7 | 37% | 0.371 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.8 | -7.2 | -178.2 | 71.6 | 0 | 0 | 0 | 0 | 114.8 | E581 I582 | E581-S584 PolarHBondContact O-N 3.11Å; E581-S584 PolarHBondContact O-OG 2.79Å; I582-S584 VanDerWaalsContact C-N 3.26Å; I582-S584 PolarHBondContact O-N 3.22Å |
| 585 | E | 46.4 | Very low | 48.6 | Very low | 163 Ų | 163 | 118.9 Ų | 118.9 | 76% | 0.762 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -10 | -173.7 | -73.9 | -173.1 | 151.2 | 0 | 0 | 115.3 | ||
| 586 | N | 50.6 | Low | 48.6 | Very low | 162 Ų | 162 | 117.6 Ų | 117.6 | 87% | 0.866 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | 22.3 | -174.4 | -86.9 | -21.4 | 0 | 0 | 0 | 116.2 | ||
| 587 | L | 49.1 | Very low | 49.3 | Very low | 79 Ų | 79 | 113.6 Ų | 113.6 | 41% | 0.414 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -133.9 | 140 | 178.6 | -81.2 | 159 | 0 | 0 | 0 | 112.3 | L592 M595 | L587-L592 HydrophobicContact CB-CD1 3.78Å; L587-L592 HydrophobicContact CD1-CD1 4.43Å; L587-M595 HydrophobicContact CD1-CE 3.76Å |
| 588 | S | 59.8 | Low | 50.3 | Low | 63 Ų | 63 | 118 Ų | 118 | 44% | 0.441 | 59% | 0.592 | S | S | . | * | trans | -61.9 | 142.7 | -179.5 | 79.6 | 0 | 0 | 0 | 0 | 111.5 | K590 E591 L592 | S588-K590 PolarHBondContact O-N 3.46Å; S588-E591 PolarHBondContact O-N 2.97Å; S588-E591 PolarHBondContact OG-OE2 3.27Å; S588-L592 PolarHBondContact O-N 3.26Å | ||
| 589 | A | 54.1 | Low | 51 | Low | 88 Ų | 88 | 116.4 Ų | 116.4 | 73% | 0.727 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -54.7 | -22 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 590 | K | 55.3 | Low | 52.1 | Low | 186 Ų | 186 | 119.7 Ų | 119.7 | 81% | 0.809 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83.9 | -32.4 | 179.2 | -143.5 | 174.7 | -175.6 | 178.7 | 0 | 112.4 | S588 | S588-K590 PolarHBondContact O-N 3.46Å |
| 591 | E | 53.9 | Low | 53.4 | Low | 114 Ų | 114 | 122.4 Ų | 122.4 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -80 | -39.8 | 175.9 | -73.4 | 167.3 | 144.8 | 0 | 0 | 111.6 | S588 K593 K594 M595 | S588-E591 PolarHBondContact O-N 2.97Å; S588-E591 PolarHBondContact OG-OE2 3.27Å; E591-K593 VanDerWaalsContact C-N 3.29Å; E591-K593 PolarHBondContact O-N 3.08Å; E591-K594 PolarHBondContact O-N 2.99Å; E591-K594 VanDerWaalsContact O-N 3.14Å; E591-M595 PolarHBondContact O-N 2.89Å |
| 592 | L | 52.6 | Low | 54.6 | Low | 46 Ų | 46 | 118.8 Ų | 118.8 | 24% | 0.241 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -57.6 | -42.7 | 175.7 | -148 | 100.7 | 0 | 0 | 0 | 111.3 | L587 S588 K594 L596 | L587-L592 HydrophobicContact CB-CD1 3.78Å; L587-L592 HydrophobicContact CD1-CD1 4.43Å; S588-L592 PolarHBondContact O-N 3.26Å; L592-K594 PolarHBondContact O-N 2.86Å; L592-L596 HydrophobicContact CD2-CD1 3.73Å; L592-L596 HydrophobicContact CG-CD1 4.04Å; L592-L596 WeakPolarHBondContact O-CB 3.44Å; L592-L596 WeakPolarHBondContact O-CD1 3.28Å; L592-L596 WeakPolarHBondContact O-CG 3.46Å; L592-L596 PolarHBondContact O-N 3.3Å |
| 593 | K | 58.3 | Low | 55.4 | Low | 169 Ų | 169 | 118.2 Ų | 118.2 | 74% | 0.735 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.5 | -33.6 | 179.7 | -146.3 | 173.8 | -170.2 | 175.6 | 0 | 112.6 | E591 S597 | E591-K593 VanDerWaalsContact C-N 3.29Å; E591-K593 PolarHBondContact O-N 3.08Å; K593-S597 WeakPolarHBondContact O-CB 3.08Å; K593-S597 PolarHBondContact O-N 3.31Å |
| 594 | K | 62.3 | Low | 56.7 | Low | 169 Ų | 169 | 119.4 Ų | 119.4 | 74% | 0.735 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.3 | -39.9 | 179.3 | -150.8 | 178.6 | -174.3 | -177 | 0 | 111.2 | E591 L592 K598 | E591-K594 PolarHBondContact O-N 2.99Å; E591-K594 VanDerWaalsContact O-N 3.14Å; L592-K594 PolarHBondContact O-N 2.86Å; K594-K598 WeakPolarHBondContact O-CB 3.17Å; K594-K598 PolarHBondContact O-N 3.21Å |
| 595 | M | 54.2 | Low | 58 | Low | 101 Ų | 101 | 124.3 Ų | 124.3 | 50% | 0.498 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67 | -49.6 | 173 | -120.5 | -143.3 | -69 | 0 | 0 | 111 | L587 E591 S597 K598 Q599 | L587-M595 HydrophobicContact CD1-CE 3.76Å; E591-M595 PolarHBondContact O-N 2.89Å; M595-S597 VanDerWaalsContact C-N 3.28Å; M595-S597 PolarHBondContact O-N 3.13Å; M595-K598 CarbonylContact O-C 3.35Å; M595-K598 PolarHBondContact O-N 3.1Å; M595-Q599 VanDerWaalsContact O-CB 3.27Å; M595-Q599 WeakPolarHBondContact O-CB 3.34Å; M595-Q599 PolarHBondContact O-N 3.04Å |
| 596 | L | 54.1 | Low | 58.9 | Low | 78 Ų | 78 | 118.9 Ų | 118.9 | 41% | 0.408 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.7 | -34.3 | 176.7 | -73.6 | 166.7 | 0 | 0 | 0 | 112.6 | L592 R600 | L592-L596 HydrophobicContact CD2-CD1 3.73Å; L592-L596 HydrophobicContact CG-CD1 4.04Å; L592-L596 WeakPolarHBondContact O-CB 3.44Å; L592-L596 WeakPolarHBondContact O-CD1 3.28Å; L592-L596 WeakPolarHBondContact O-CG 3.46Å; L592-L596 PolarHBondContact O-N 3.3Å; L596-R600 WeakPolarHBondContact O-CB 3.1Å; L596-R600 WeakPolarHBondContact O-CG 3.32Å; L596-R600 PolarHBondContact O-N 3.15Å |
| 597 | S | 60.9 | Low | 59.8 | Low | 64 Ų | 64 | 117.6 Ų | 117.6 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67 | -42.4 | 173 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | K593 M595 R601 | K593-S597 WeakPolarHBondContact O-CB 3.08Å; K593-S597 PolarHBondContact O-N 3.31Å; M595-S597 VanDerWaalsContact C-N 3.28Å; M595-S597 PolarHBondContact O-N 3.13Å; S597-R601 WeakPolarHBondContact O-CB 3.38Å; S597-R601 WeakPolarHBondContact O-CG 3.44Å; S597-R601 PolarHBondContact O-N 2.89Å |
| 598 | K | 62.7 | Low | 60.7 | Low | 166 Ų | 166 | 118.1 Ų | 118.1 | 72% | 0.722 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.7 | -39.3 | 179.6 | -157.5 | 177.9 | -176.8 | -173.1 | 0 | 111.6 | K594 M595 R601 A602 | K594-K598 WeakPolarHBondContact O-CB 3.17Å; K594-K598 PolarHBondContact O-N 3.21Å; M595-K598 CarbonylContact O-C 3.35Å; M595-K598 PolarHBondContact O-N 3.1Å; K598-R601 PolarHBondContact O-N 2.82Å; K598-A602 VanDerWaalsContact O-CB 3.3Å; K598-A602 WeakPolarHBondContact O-CB 3.33Å; K598-A602 PolarHBondContact O-N 3.12Å |
| 599 | Q | 54.8 | Low | 60.9 | Low | 105 Ų | 105 | 120 Ų | 120 | 49% | 0.491 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.8 | -40.7 | 176.1 | -140.4 | 177.2 | 19.3 | 0 | 0 | 111.1 | M595 A602 Q603 | M595-Q599 VanDerWaalsContact O-CB 3.27Å; M595-Q599 WeakPolarHBondContact O-CB 3.34Å; M595-Q599 PolarHBondContact O-N 3.04Å; Q599-A602 PolarHBondContact O-N 3.33Å; Q599-Q603 VanDerWaalsContact O-CB 3.26Å; Q599-Q603 WeakPolarHBondContact O-CB 3.45Å; Q599-Q603 WeakPolarHBondContact O-CG 3.36Å; Q599-Q603 PolarHBondContact O-N 3.34Å |
| 600 | R | 61.6 | Low | 61.3 | Low | 184 Ų | 184 | 122.3 Ų | 122.3 | 69% | 0.694 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.9 | -40.8 | 169.4 | -80.1 | 178.7 | 175.5 | -176.5 | -0.3 | 111.4 | L596 K604 | L596-R600 WeakPolarHBondContact O-CB 3.1Å; L596-R600 WeakPolarHBondContact O-CG 3.32Å; L596-R600 PolarHBondContact O-N 3.15Å; R600-K604 WeakPolarHBondContact O-CB 3.35Å; R600-K604 PolarHBondContact O-N 3.18Å |
| 601 | R | 66.4 | Low | 61.8 | Low | 194 Ų | 194 | 119.3 Ų | 119.3 | 73% | 0.732 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.7 | -42 | 174.6 | -85.9 | -179.9 | 172.6 | -179 | -2.7 | 111.9 | S597 K598 K604 K605 | S597-R601 WeakPolarHBondContact O-CB 3.38Å; S597-R601 WeakPolarHBondContact O-CG 3.44Å; S597-R601 PolarHBondContact O-N 2.89Å; K598-R601 PolarHBondContact O-N 2.82Å; R601-K604 PolarHBondContact O-N 3.48Å; R601-K605 WeakPolarHBondContact O-CB 3.29Å; R601-K605 PolarHBondContact O-N 3.14Å |
| 602 | A | 62.8 | Low | 62.3 | Low | 59 Ų | 59 | 122.4 Ų | 122.4 | 49% | 0.488 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.7 | -45.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K598 Q599 K605 A606 | K598-A602 VanDerWaalsContact O-CB 3.3Å; K598-A602 WeakPolarHBondContact O-CB 3.33Å; K598-A602 PolarHBondContact O-N 3.12Å; Q599-A602 PolarHBondContact O-N 3.33Å; A602-K605 PolarHBondContact O-N 3.35Å; A602-A606 VanDerWaalsContact O-CB 3.25Å; A602-A606 WeakPolarHBondContact O-CB 3.49Å; A602-A606 PolarHBondContact O-N 3.44Å |
| 603 | Q | 60.1 | Low | 63 | Low | 110 Ų | 110 | 125.2 Ų | 125.2 | 51% | 0.514 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.6 | -38 | 174.2 | -79.7 | -179.4 | -19.2 | 0 | 0 | 112.4 | Q599 K605 K607 | Q599-Q603 VanDerWaalsContact O-CB 3.26Å; Q599-Q603 WeakPolarHBondContact O-CB 3.45Å; Q599-Q603 WeakPolarHBondContact O-CG 3.36Å; Q599-Q603 PolarHBondContact O-N 3.34Å; Q603-K605 VanDerWaalsContact C-N 3.31Å; Q603-K607 WeakPolarHBondContact O-CB 3.39Å; Q603-K607 WeakPolarHBondContact O-CG 3.39Å; Q603-K607 PolarHBondContact O-N 2.94Å |
| 604 | K | 67.6 | Low | 63.2 | Low | 155 Ų | 155 | 122.7 Ų | 122.7 | 67% | 0.674 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.2 | -35.7 | 175.3 | -144 | 178.3 | -168.4 | -176.1 | 0 | 110.6 | R600 R601 L608 | R600-K604 WeakPolarHBondContact O-CB 3.35Å; R600-K604 PolarHBondContact O-N 3.18Å; R601-K604 PolarHBondContact O-N 3.48Å; K604-L608 HydrophobicContact CG-CD1 4.44Å; K604-L608 WeakPolarHBondContact O-CB 3.39Å; K604-L608 WeakPolarHBondContact O-CD1 3.47Å; K604-L608 PolarHBondContact O-N 3.41Å |
| 605 | K | 69.4 | Low | 63.2 | Low | 156 Ų | 156 | 116.8 Ų | 116.8 | 68% | 0.678 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -73.2 | -42.7 | 177 | -150.2 | 179.1 | -173 | -168.4 | 0 | 111.4 | R601 A602 Q603 L608 E609 | R601-K605 WeakPolarHBondContact O-CB 3.29Å; R601-K605 PolarHBondContact O-N 3.14Å; A602-K605 PolarHBondContact O-N 3.35Å; Q603-K605 VanDerWaalsContact C-N 3.31Å; K605-L608 PolarHBondContact O-N 3.39Å; K605-E609 VanDerWaalsContact O-CB 3.22Å; K605-E609 WeakPolarHBondContact O-CB 3.2Å; K605-E609 PolarHBondContact O-N 3.21Å |
| 606 | A | 65.4 | Low | 63.4 | Low | 49 Ų | 49 | 117.9 Ų | 117.9 | 41% | 0.405 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.6 | -44 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A602 E609 E610 | A602-A606 VanDerWaalsContact O-CB 3.25Å; A602-A606 WeakPolarHBondContact O-CB 3.49Å; A602-A606 PolarHBondContact O-N 3.44Å; A606-E609 PolarHBondContact O-N 2.98Å; A606-E610 WeakPolarHBondContact O-CB 3.44Å; A606-E610 WeakPolarHBondContact O-CG 3.42Å; A606-E610 PolarHBondContact O-N 3.18Å |
| 607 | K | 69.5 | Low | 63.8 | Low | 135 Ų | 135 | 122.1 Ų | 122.1 | 59% | 0.587 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.1 | -41.3 | 171.7 | -81.8 | -170.4 | 172.5 | -171.8 | 0 | 112.5 | Q603 E609 E611 | Q603-K607 WeakPolarHBondContact O-CB 3.39Å; Q603-K607 WeakPolarHBondContact O-CG 3.39Å; Q603-K607 PolarHBondContact O-N 2.94Å; K607-E609 VanDerWaalsContact C-N 3.3Å; K607-E609 PolarHBondContact O-N 3.5Å; K607-E611 WeakPolarHBondContact O-CA 3.34Å; K607-E611 WeakPolarHBondContact O-CB 3.5Å; K607-E611 WeakPolarHBondContact O-CG 3.47Å; K607-E611 PolarHBondContact O-N 3.09Å |
| 608 | L | 68.4 | Low | 63.5 | Low | 89 Ų | 89 | 122.5 Ų | 122.5 | 47% | 0.466 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.3 | -31.7 | 175.1 | -100.5 | 142.8 | 0 | 0 | 0 | 112.4 | K604 K605 R612 | K604-L608 HydrophobicContact CG-CD1 4.44Å; K604-L608 WeakPolarHBondContact O-CB 3.39Å; K604-L608 WeakPolarHBondContact O-CD1 3.47Å; K604-L608 PolarHBondContact O-N 3.41Å; K605-L608 PolarHBondContact O-N 3.39Å; L608-R612 WeakPolarHBondContact O-CB 3.43Å; L608-R612 VanDerWaalsContact O-CG 3.25Å; L608-R612 WeakPolarHBondContact O-CG 3.48Å; L608-R612 PolarHBondContact O-N 3.27Å |
| 609 | E | 64.9 | Low | 63.3 | Low | 102 Ų | 102 | 123.6 Ų | 123.6 | 48% | 0.477 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -80.2 | -37.3 | 178.9 | -159.7 | -177.7 | 152 | 0 | 0 | 111.5 | K605 A606 K607 K613 | K605-E609 VanDerWaalsContact O-CB 3.22Å; K605-E609 WeakPolarHBondContact O-CB 3.2Å; K605-E609 PolarHBondContact O-N 3.21Å; A606-E609 PolarHBondContact O-N 2.98Å; K607-E609 VanDerWaalsContact C-N 3.3Å; K607-E609 PolarHBondContact O-N 3.5Å; E609-K613 VanDerWaalsContact O-CB 3.31Å; E609-K613 WeakPolarHBondContact O-CB 3.34Å; E609-K613 VanDerWaalsContact O-CG 3.25Å; E609-K613 WeakPolarHBondContact O-CG 3.33Å; E609-K613 PolarHBondContact O-N 3.01Å; E609-K613 IonicContact OE1-NZ 2.82Å; E609-K613 PolarHBondContact OE1-NZ 3.21Å |
| 610 | E | 62.1 | Low | 63.3 | Low | 138 Ų | 138 | 125 Ų | 125 | 65% | 0.645 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.9 | -42.7 | 168.8 | -78.7 | -175.3 | 153.4 | 0 | 0 | 111.4 | A606 R612 K613 H614 | A606-E610 WeakPolarHBondContact O-CB 3.44Å; A606-E610 WeakPolarHBondContact O-CG 3.42Å; A606-E610 PolarHBondContact O-N 3.18Å; E610-R612 VanDerWaalsContact C-N 3.33Å; E610-R612 PolarHBondContact O-N 3.02Å; E610-K613 CarbonylContact O-C 3.56Å; E610-K613 PolarHBondContact O-N 3.32Å; E610-H614 WeakPolarHBondContact O-CA 3.25Å; E610-H614 WeakPolarHBondContact O-CB 3.23Å; E610-H614 PolarHBondContact O-N 3.04Å |
| 611 | E | 65.2 | Low | 62.9 | Low | 123 Ų | 123 | 122.1 Ų | 122.1 | 58% | 0.575 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.2 | -35.3 | 173.2 | -79.6 | 174 | 174 | 0 | 0 | 111.2 | K607 A615 | K607-E611 WeakPolarHBondContact O-CA 3.34Å; K607-E611 WeakPolarHBondContact O-CB 3.5Å; K607-E611 WeakPolarHBondContact O-CG 3.47Å; K607-E611 PolarHBondContact O-N 3.09Å; E611-A615 WeakPolarHBondContact O-CA 3.35Å; E611-A615 WeakPolarHBondContact O-CB 3.3Å; E611-A615 PolarHBondContact O-N 2.85Å |
| 612 | R | 65.6 | Low | 62.2 | Low | 179 Ų | 179 | 118.3 Ų | 118.3 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.7 | -45.9 | 171.9 | -87 | 179.6 | 171 | -171.7 | -3.7 | 111.9 | L608 E610 H614 A615 E616 | L608-R612 WeakPolarHBondContact O-CB 3.43Å; L608-R612 VanDerWaalsContact O-CG 3.25Å; L608-R612 WeakPolarHBondContact O-CG 3.48Å; L608-R612 PolarHBondContact O-N 3.27Å; E610-R612 VanDerWaalsContact C-N 3.33Å; E610-R612 PolarHBondContact O-N 3.02Å; R612-H614 VanDerWaalsContact C-N 3.31Å; R612-H614 PolarHBondContact O-N 3.44Å; R612-A615 PolarHBondContact O-N 3.31Å; R612-E616 VanDerWaalsContact O-CB 3.3Å; R612-E616 WeakPolarHBondContact O-CB 3.39Å; R612-E616 WeakPolarHBondContact O-CG 3.12Å; R612-E616 PolarHBondContact O-N 3.34Å |
| 613 | K | 65.6 | Low | 61.3 | Low | 104 Ų | 104 | 121.1 Ų | 121.1 | 45% | 0.452 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.8 | -35.8 | 176.1 | -75.6 | 170.9 | -175.2 | 163.4 | 0 | 111.5 | E609 E610 R617 | E609-K613 VanDerWaalsContact O-CB 3.31Å; E609-K613 WeakPolarHBondContact O-CB 3.34Å; E609-K613 VanDerWaalsContact O-CG 3.25Å; E609-K613 WeakPolarHBondContact O-CG 3.33Å; E609-K613 PolarHBondContact O-N 3.01Å; E609-K613 IonicContact OE1-NZ 2.82Å; E609-K613 PolarHBondContact OE1-NZ 3.21Å; E610-K613 CarbonylContact O-C 3.56Å; E610-K613 PolarHBondContact O-N 3.32Å; K613-R617 VanDerWaalsContact O-CB 3.23Å; K613-R617 WeakPolarHBondContact O-CB 3.41Å; K613-R617 WeakPolarHBondContact O-CG 3.48Å; K613-R617 PolarHBondContact O-N 3.5Å |
| 614 | H | 63.5 | Low | 60.9 | Low | 116 Ų | 116 | 122.4 Ų | 122.4 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.8 | -38.9 | 175.4 | -166.2 | -81.6 | 0 | 0 | 0 | 111.1 | E610 R612 E618 | E610-H614 WeakPolarHBondContact O-CA 3.25Å; E610-H614 WeakPolarHBondContact O-CB 3.23Å; E610-H614 PolarHBondContact O-N 3.04Å; R612-H614 VanDerWaalsContact C-N 3.31Å; R612-H614 PolarHBondContact O-N 3.44Å; H614-E618 IonicContact CE1-OE1 2.66Å; H614-E618 PolarHBondContact CE1-OE1 3.03Å; H614-E618 VanDerWaalsContact CE1-OE1 3.22Å; H614-E618 IonicContact ND1-OE1 3.62Å; H614-E618 WeakPolarHBondContact O-CA 3.39Å; H614-E618 WeakPolarHBondContact O-CB 3.34Å; H614-E618 WeakPolarHBondContact O-CG 3.44Å; H614-E618 PolarHBondContact O-N 2.92Å |
| 615 | A | 62 | Low | 59.8 | Low | 46 Ų | 46 | 120.9 Ų | 120.9 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73 | -31.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E611 R612 R619 | E611-A615 WeakPolarHBondContact O-CA 3.35Å; E611-A615 WeakPolarHBondContact O-CB 3.3Å; E611-A615 PolarHBondContact O-N 2.85Å; R612-A615 PolarHBondContact O-N 3.31Å; A615-R619 VanDerWaalsContact O-CB 3.23Å; A615-R619 WeakPolarHBondContact O-CB 3.33Å; A615-R619 WeakPolarHBondContact O-CG 3.28Å; A615-R619 PolarHBondContact O-N 3.02Å |
| 616 | E | 59.3 | Low | 58.6 | Low | 124 Ų | 124 | 120.7 Ų | 120.7 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.3 | -44.1 | 171.4 | -82.5 | 179.2 | 158.2 | 0 | 0 | 111.2 | R612 E618 R619 Q620 | R612-E616 VanDerWaalsContact O-CB 3.3Å; R612-E616 WeakPolarHBondContact O-CB 3.39Å; R612-E616 WeakPolarHBondContact O-CG 3.12Å; R612-E616 PolarHBondContact O-N 3.34Å; E616-E618 VanDerWaalsContact C-N 3.35Å; E616-R619 PolarHBondContact O-N 2.84Å; E616-Q620 WeakPolarHBondContact O-CB 3.39Å; E616-Q620 WeakPolarHBondContact O-CG 3.37Å; E616-Q620 PolarHBondContact O-N 3.02Å |
| 617 | R | 61.1 | Low | 57.3 | Low | 167 Ų | 167 | 126.7 Ų | 126.7 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.2 | -41.2 | 170.6 | -77.1 | 174.6 | -179.5 | 175.9 | -0.4 | 111.5 | K613 Q620 Q621 | K613-R617 VanDerWaalsContact O-CB 3.23Å; K613-R617 WeakPolarHBondContact O-CB 3.41Å; K613-R617 WeakPolarHBondContact O-CG 3.48Å; K613-R617 PolarHBondContact O-N 3.5Å; R617-Q620 PolarHBondContact O-N 2.98Å; R617-Q621 WeakPolarHBondContact O-CA 3.33Å; R617-Q621 WeakPolarHBondContact O-CB 3.32Å; R617-Q621 WeakPolarHBondContact O-CG 3.46Å; R617-Q621 PolarHBondContact O-N 3.28Å |
| 618 | E | 55.7 | Low | 56 | Low | 72 Ų | 72 | 124.4 Ų | 124.4 | 34% | 0.336 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.3 | -32.9 | 174 | -88.8 | -163.1 | -173 | 0 | 0 | 112.5 | H614 E616 K622 | H614-E618 IonicContact CE1-OE1 2.66Å; H614-E618 PolarHBondContact CE1-OE1 3.03Å; H614-E618 VanDerWaalsContact CE1-OE1 3.22Å; H614-E618 IonicContact ND1-OE1 3.62Å; H614-E618 WeakPolarHBondContact O-CA 3.39Å; H614-E618 WeakPolarHBondContact O-CB 3.34Å; H614-E618 WeakPolarHBondContact O-CG 3.44Å; H614-E618 PolarHBondContact O-N 2.92Å; E616-E618 VanDerWaalsContact C-N 3.35Å; E618-K622 WeakPolarHBondContact O-CA 3.42Å; E618-K622 WeakPolarHBondContact O-CB 3.35Å; E618-K622 WeakPolarHBondContact O-CD 3.46Å; E618-K622 WeakPolarHBondContact O-CG 3.34Å; E618-K622 PolarHBondContact O-N 3.43Å; E618-K622 IonicContact OE2-NZ 3.81Å; E618-K622 PolarHBondContact OE2-NZ 2.92Å |
| 619 | R | 57.3 | Low | 54.5 | Low | 188 Ų | 188 | 122.7 Ų | 122.7 | 71% | 0.709 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.1 | -39.1 | 175.7 | -88.7 | 178.9 | 168.8 | -177.4 | -2.7 | 111.4 | A615 E616 N623 | A615-R619 VanDerWaalsContact O-CB 3.23Å; A615-R619 WeakPolarHBondContact O-CB 3.33Å; A615-R619 WeakPolarHBondContact O-CG 3.28Å; A615-R619 PolarHBondContact O-N 3.02Å; E616-R619 PolarHBondContact O-N 2.84Å; R619-N623 VanDerWaalsContact O-CB 3.29Å; R619-N623 WeakPolarHBondContact O-CB 3.26Å; R619-N623 PolarHBondContact O-N 2.89Å |
| 620 | Q | 55.2 | Low | 53.2 | Low | 134 Ų | 134 | 126.1 Ų | 126.1 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68 | -42.8 | 173.7 | -73.9 | 177.3 | -6 | 0 | 0 | 110.9 | E616 R617 Q624 | E616-Q620 WeakPolarHBondContact O-CB 3.39Å; E616-Q620 WeakPolarHBondContact O-CG 3.37Å; E616-Q620 PolarHBondContact O-N 3.02Å; R617-Q620 PolarHBondContact O-N 2.98Å; Q620-Q624 PolarHBondContact O-N 2.9Å; Q620-Q624 VanDerWaalsContact O-N 3.13Å |
| 621 | Q | 54.1 | Low | 52 | Low | 124 Ų | 124 | 127.4 Ų | 127.4 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.9 | -49.9 | 171.7 | -75.7 | 175.5 | -5.3 | 0 | 0 | 110.8 | R617 N623 Q624 K625 | R617-Q621 WeakPolarHBondContact O-CA 3.33Å; R617-Q621 WeakPolarHBondContact O-CB 3.32Å; R617-Q621 WeakPolarHBondContact O-CG 3.46Å; R617-Q621 PolarHBondContact O-N 3.28Å; Q621-N623 VanDerWaalsContact C-N 3.29Å; Q621-N623 PolarHBondContact O-N 3.02Å; Q621-Q624 CarbonylContact O-C 3.46Å; Q621-Q624 PolarHBondContact O-N 2.67Å; Q621-K625 WeakPolarHBondContact O-CA 3.46Å; Q621-K625 WeakPolarHBondContact O-CB 3.21Å; Q621-K625 PolarHBondContact O-N 2.93Å |
| 622 | K | 51 | Low | 50.5 | Low | 114 Ų | 114 | 126.1 Ų | 126.1 | 50% | 0.496 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.7 | -30.1 | 177.8 | -80.1 | 166.4 | 175.2 | 155.4 | 0 | 113.5 | E618 K626 | E618-K622 WeakPolarHBondContact O-CA 3.42Å; E618-K622 WeakPolarHBondContact O-CB 3.35Å; E618-K622 WeakPolarHBondContact O-CD 3.46Å; E618-K622 WeakPolarHBondContact O-CG 3.34Å; E618-K622 PolarHBondContact O-N 3.43Å; E618-K622 IonicContact OE2-NZ 3.81Å; E618-K622 PolarHBondContact OE2-NZ 2.92Å; K622-K626 VanDerWaalsContact O-CB 3.23Å; K622-K626 WeakPolarHBondContact O-CB 3.38Å; K622-K626 PolarHBondContact O-N 3.2Å |
| 623 | N | 45.2 | Very low | 48.9 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -77.4 | -27.3 | 174.4 | -81.3 | -8.1 | 0 | 0 | 0 | 112.7 | R619 Q621 | R619-N623 VanDerWaalsContact O-CB 3.29Å; R619-N623 WeakPolarHBondContact O-CB 3.26Å; R619-N623 PolarHBondContact O-N 2.89Å; Q621-N623 VanDerWaalsContact C-N 3.29Å; Q621-N623 PolarHBondContact O-N 3.02Å |
| 624 | Q | 49.8 | Very low | 47.4 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 64% | 0.64 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -82.6 | -34.7 | 169.5 | -73.5 | 178.8 | -7.6 | 0 | 0 | 112.1 | Q620 Q621 K627 R628 | Q620-Q624 PolarHBondContact O-N 2.9Å; Q620-Q624 VanDerWaalsContact O-N 3.13Å; Q621-Q624 CarbonylContact O-C 3.46Å; Q621-Q624 PolarHBondContact O-N 2.67Å; Q624-K627 PolarHBondContact O-N 3.12Å; Q624-R628 PolarHBondContact O-N 2.96Å |
| 625 | K | 46.4 | Very low | 45.9 | Very low | 123 Ų | 123 | 127 Ų | 127 | 54% | 0.535 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.1 | -46.3 | 175.4 | -128.5 | -171 | 168.7 | 172.7 | 0 | 110.8 | Q621 K627 R628 D629 | Q621-K625 WeakPolarHBondContact O-CA 3.46Å; Q621-K625 WeakPolarHBondContact O-CB 3.21Å; Q621-K625 PolarHBondContact O-N 2.93Å; K625-K627 PolarHBondContact O-N 3.47Å; K625-R628 CarbonylContact O-C 3.59Å; K625-R628 PolarHBondContact O-N 3.35Å; K625-D629 VanDerWaalsContact C-OD2 3.3Å; K625-D629 WeakPolarHBondContact CB-OD2 3.44Å; K625-D629 WeakPolarHBondContact CG-OD1 3.32Å; K625-D629 VanDerWaalsContact CG-OD2 3.29Å; K625-D629 WeakPolarHBondContact CG-OD2 3.28Å; K625-D629 VanDerWaalsContact O-CB 3.25Å; K625-D629 WeakPolarHBondContact O-CB 3.37Å; K625-D629 PolarHBondContact O-N 2.97Å |
| 626 | K | 42.6 | Very low | 44.5 | Very low | 153 Ų | 153 | 129 Ų | 129 | 67% | 0.665 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59 | -24.4 | 174.8 | -93.5 | -174.9 | 168.2 | -175.3 | 0 | 114.7 | K622 | K622-K626 VanDerWaalsContact O-CB 3.23Å; K622-K626 WeakPolarHBondContact O-CB 3.38Å; K622-K626 PolarHBondContact O-N 3.2Å |
| 627 | K | 38.5 | Very low | 43.4 | Very low | 175 Ų | 175 | 124.9 Ų | 124.9 | 76% | 0.761 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -87 | -16 | 173.9 | -84.5 | -173.3 | 173 | -174.6 | 0 | 113.6 | Q624 K625 | Q624-K627 PolarHBondContact O-N 3.12Å; K625-K627 PolarHBondContact O-N 3.47Å |
| 628 | R | 41.8 | Very low | 42.4 | Very low | 87 Ų | 87 | 125 Ų | 125 | 33% | 0.328 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -108.1 | -31.9 | 178.9 | -105.4 | -174.6 | 179 | 173.8 | 0.8 | 113.9 | T473 Q624 K625 E630 E631 E632 | T473-R628 PolarHBondContact OG1-NH1 3.24Å; Q624-R628 PolarHBondContact O-N 2.96Å; K625-R628 CarbonylContact O-C 3.59Å; K625-R628 PolarHBondContact O-N 3.35Å; R628-E630 PolarHBondContact O-N 3.04Å; R628-E631 CarbonylContact O-C 3.39Å; R628-E631 WeakPolarHBondContact O-CA 3.48Å; R628-E631 PolarHBondContact O-N 3.49Å; R628-E632 PolarHBondContact O-N 3.29Å |
| 629 | D | 38.3 | Very low | 42.4 | Very low | 52 Ų | 52 | 127.9 Ų | 127.9 | 28% | 0.278 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.9 | -28 | 175 | -69.2 | -29.9 | 0 | 0 | 0 | 110.5 | K625 E631 E633 | K625-D629 VanDerWaalsContact C-OD2 3.3Å; K625-D629 WeakPolarHBondContact CB-OD2 3.44Å; K625-D629 WeakPolarHBondContact CG-OD1 3.32Å; K625-D629 VanDerWaalsContact CG-OD2 3.29Å; K625-D629 WeakPolarHBondContact CG-OD2 3.28Å; K625-D629 VanDerWaalsContact O-CB 3.25Å; K625-D629 WeakPolarHBondContact O-CB 3.37Å; K625-D629 PolarHBondContact O-N 2.97Å; D629-E631 VanDerWaalsContact C-N 3.27Å; D629-E631 PolarHBondContact O-N 3.46Å; D629-E633 VanDerWaalsContact O-CB 3.29Å; D629-E633 WeakPolarHBondContact O-CB 3.33Å; D629-E633 VanDerWaalsContact O-CG 3.32Å; D629-E633 WeakPolarHBondContact O-CG 3.44Å; D629-E633 PolarHBondContact O-N 3.45Å |
| 630 | E | 36.9 | Very low | 42.9 | Very low | 175 Ų | 175 | 126.7 Ų | 126.7 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.5 | -14.1 | 172.3 | -70 | -175.4 | 171.5 | 0 | 0 | 113.7 | R628 | R628-E630 PolarHBondContact O-N 3.04Å |
| 631 | E | 36 | Very low | 44.2 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 77% | 0.771 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -116.9 | -23.4 | 179.7 | -69.4 | -175.8 | 165.3 | 0 | 0 | 114.2 | R628 D629 | R628-E631 CarbonylContact O-C 3.39Å; R628-E631 WeakPolarHBondContact O-CA 3.48Å; R628-E631 PolarHBondContact O-N 3.49Å; D629-E631 VanDerWaalsContact C-N 3.27Å; D629-E631 PolarHBondContact O-N 3.46Å |
| 632 | E | 34.5 | Very low | 45.9 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 45% | 0.449 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -105.5 | -7.9 | -177.4 | -78 | 179 | 159.5 | 0 | 0 | 114.8 | R628 E634 A635 | R628-E632 PolarHBondContact O-N 3.29Å; E632-E634 PolarHBondContact O-N 3.05Å; E632-E634 VanDerWaalsContact O-N 3.13Å; E632-A635 PolarHBondContact O-N 3.27Å |
| 633 | E | 31.3 | Very low | 47.8 | Very low | 149 Ų | 149 | 119.9 Ų | 119.9 | 70% | 0.696 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -5.1 | 175.4 | -88.7 | -169.8 | 159.9 | 0 | 0 | 114.4 | D629 | D629-E633 VanDerWaalsContact O-CB 3.29Å; D629-E633 WeakPolarHBondContact O-CB 3.33Å; D629-E633 VanDerWaalsContact O-CG 3.32Å; D629-E633 WeakPolarHBondContact O-CG 3.44Å; D629-E633 PolarHBondContact O-N 3.45Å |
| 634 | E | 34 | Very low | 50.1 | Low | 170 Ų | 170 | 115.7 Ų | 115.7 | 79% | 0.794 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -6.9 | 177 | -77.4 | -168.8 | 159.9 | 0 | 0 | 114.7 | E632 | E632-E634 PolarHBondContact O-N 3.05Å; E632-E634 VanDerWaalsContact O-N 3.13Å |
| 635 | A | 33.4 | Very low | 52.1 | Low | 97 Ų | 97 | 115.1 Ų | 115.1 | 80% | 0.802 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | -17.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 118 | E632 | E632-A635 PolarHBondContact O-N 3.27Š|
| 636 | S | 32.6 | Very low | 54.2 | Low | 90 Ų | 90 | 116.4 Ų | 116.4 | 63% | 0.629 | 58% | 0.578 | S | S | * | * | trans | -122.8 | 110.6 | 179 | 81.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 637 | G | 36.2 | Very low | 56.5 | Low | 37 Ų | 37 | 110.5 Ų | 110.5 | 38% | 0.381 | 55% | 0.553 | S | S | . | * | trans | -59.1 | 141.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K639 | G637-K639 VanDerWaalsContact C-N 3.35Å; G637-K639 PolarHBondContact O-N 3.08Å | ||
| 638 | L | 40.3 | Very low | 59.1 | Low | 169 Ų | 169 | 104.4 Ų | 104.4 | 89% | 0.885 | 53% | 0.527 | S | S | * | . | trans | -40.6 | 93.2 | 175.1 | -72.9 | 155.9 | 0 | 0 | 0 | 111 | E640 | L638-E640 PolarHBondContact O-N 3.17Š| ||
| 639 | K | 55.4 | Low | 61.4 | Low | 132 Ų | 132 | 107.3 Ų | 107.3 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 124.1 | 173.3 | -72.7 | -174.2 | 179.2 | -174.4 | 0 | 105.5 | E517 G637 E641 | E517-K639 IonicContact OE2-NZ 2.84Å; E517-K639 PolarHBondContact OE2-NZ 3.29Å; G637-K639 VanDerWaalsContact C-N 3.35Å; G637-K639 PolarHBondContact O-N 3.08Å; K639-E641 PolarHBondContact O-N 3Å; K639-E641 VanDerWaalsContact O-N 3.13Å |
| 640 | E | 66.6 | Low | 63.9 | Low | 164 Ų | 164 | 106.8 Ų | 106.8 | 77% | 0.766 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 123.1 | 174.3 | -170.3 | 175 | -170.3 | 0 | 0 | 108.9 | R513 L638 L642 | R513-E640 PolarHBondContact NH1-O 2.99Å; R513-E640 PolarHBondContact NH2-O 2.91Å; L638-E640 PolarHBondContact O-N 3.17Å; E640-L642 PolarHBondContact O-N 3.38Å |
| 641 | E | 82.3 | Confident | 66.3 | Low | 156 Ų | 156 | 107 Ų | 107 | 73% | 0.729 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 126.5 | -172.6 | -169.9 | 177.2 | -178.1 | 0 | 0 | 110.4 | K639 I643 | K639-E641 PolarHBondContact O-N 3Å; K639-E641 VanDerWaalsContact O-N 3.13Å; E641-I643 HydrophobicContact CG-CG1 4.33Å; E641-I643 PolarHBondContact O-N 3.42Å |
| 642 | L | 90.3 | Very high | 69 | Low | 21 Ų | 21 | 103.9 Ų | 103.9 | 11% | 0.11 | 53% | 0.527 | C | S | . | . | trans | -80 | 104.4 | 176.6 | -66 | 172.8 | 0 | 0 | 0 | 109.7 | K506 H509 E510 R513 E640 L647 | K506-L642 HydrophobicContact CD-CB 4.49Å; K506-L642 HydrophobicContact CG-CB 3.99Å; H509-L642 HydrophobicContact CB-CD1 3.74Å; H509-L642 HydrophobicContact CB-CD2 3.9Å; H509-L642 HydrophobicContact CB-CG 4.48Å; E510-L642 HydrophobicContact CG-CD1 3.93Å; R513-L642 VanDerWaalsContact CZ-CG 3.41Å; R513-L642 VanDerWaalsContact NH2-CD2 3.32Å; E640-L642 PolarHBondContact O-N 3.38Å; L642-L647 HydrophobicContact CB-CD1 4.47Å; L642-L647 HydrophobicContact CD2-CD1 4.47Å | ||
| 643 | I | 92.3 | Very high | 71.8 | Confident | 52 Ų | 52 | 100 Ų | 100 | 27% | 0.267 | 51% | 0.51 | S | S | . | . | trans | -100.6 | 116.7 | -179.8 | -60.8 | 167.4 | 0 | 0 | 0 | 109.3 | E641 E645 K646 L647 | E641-I643 HydrophobicContact CG-CG1 4.33Å; E641-I643 PolarHBondContact O-N 3.42Å; I643-E645 VanDerWaalsContact C-N 3.33Å; I643-E645 HydrophobicContact CG2-CB 4.36Å; I643-E645 PolarHBondContact O-N 2.88Å; I643-K646 HydrophobicContact CB-CB 4.3Å; I643-K646 HydrophobicContact CB-CD 4.16Å; I643-K646 HydrophobicContact CB-CG 4.09Å; I643-K646 HydrophobicContact CD1-CD 3.94Å; I643-K646 HydrophobicContact CG2-CG 4.08Å; I643-K646 PolarHBondContact O-N 2.97Å; I643-K646 VanDerWaalsContact O-N 3.1Å; I643-L647 WeakPolarHBondContact O-CG 3.33Å; I643-L647 PolarHBondContact O-N 2.87Å | ||
| 644 | P | 92.9 | Very high | 74.9 | Confident | 30 Ų | 30 | 93.6 Ų | 93.6 | 20% | 0.195 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -49.3 | -47.6 | -179.5 | -32.9 | 39.1 | 0 | 0 | 0 | 114.4 | G502 K506 K646 L647 E648 | G502-P644 WeakPolarHBondContact CA-O 3.44Å; K506-P644 HydrophobicContact CB-CG 4.38Å; K506-P644 HydrophobicContact CD-CG 3.95Å; P644-K646 VanDerWaalsContact C-N 3.28Å; P644-K646 PolarHBondContact O-N 2.9Å; P644-L647 PolarHBondContact O-N 3.31Å; P644-L647 VanDerWaalsContact O-N 3.15Å; P644-E648 PolarHBondContact O-N 3.45Å; P644-E648 VanDerWaalsContact O-N 3.09Å |
| 645 | E | 91.1 | Very high | 77.8 | Confident | 124 Ų | 124 | 89.8 Ų | 89.8 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.6 | -30.8 | -177.7 | -62 | 179.9 | 178.2 | 0 | 0 | 113.2 | I643 E648 R649 | I643-E645 VanDerWaalsContact C-N 3.33Å; I643-E645 HydrophobicContact CG2-CB 4.36Å; I643-E645 PolarHBondContact O-N 2.88Å; E645-E648 WeakPolarHBondContact O-CG 3.34Å; E645-R649 WeakPolarHBondContact O-CG 3.18Å; E645-R649 PolarHBondContact O-N 3.24Å |
| 646 | K | 91.5 | Very high | 80.7 | Confident | 151 Ų | 151 | 87 Ų | 87 | 66% | 0.657 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -76.5 | -36.8 | 176.6 | -67.4 | -173 | -178.1 | 176.6 | 0 | 111.3 | I643 P644 R649 | I643-K646 HydrophobicContact CB-CB 4.3Å; I643-K646 HydrophobicContact CB-CD 4.16Å; I643-K646 HydrophobicContact CB-CG 4.09Å; I643-K646 HydrophobicContact CD1-CD 3.94Å; I643-K646 HydrophobicContact CG2-CG 4.08Å; I643-K646 PolarHBondContact O-N 2.97Å; I643-K646 VanDerWaalsContact O-N 3.1Å; P644-K646 VanDerWaalsContact C-N 3.28Å; P644-K646 PolarHBondContact O-N 2.9Å; K646-R649 PolarHBondContact O-N 2.94Å |
| 647 | L | 91.3 | Very high | 83.8 | Confident | 28 Ų | 28 | 82.8 Ų | 82.8 | 15% | 0.147 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.4 | -35.8 | -178.4 | -66.9 | 170.7 | 0 | 0 | 0 | 112.2 | L505 K506 L642 I643 P644 | L505-L647 HydrophobicContact CB-CB 4.1Å; L505-L647 HydrophobicContact CB-CD1 4.35Å; L505-L647 HydrophobicContact CD1-CB 4.24Å; K506-L647 HydrophobicContact CB-CD1 4.13Å; L642-L647 HydrophobicContact CB-CD1 4.47Å; L642-L647 HydrophobicContact CD2-CD1 4.47Å; I643-L647 WeakPolarHBondContact O-CG 3.33Å; I643-L647 PolarHBondContact O-N 2.87Å; P644-L647 PolarHBondContact O-N 3.31Å; P644-L647 VanDerWaalsContact O-N 3.15Å |
| 648 | E | 91.2 | Very high | 86.7 | Confident | 47 Ų | 47 | 82 Ų | 82 | 22% | 0.22 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -78.1 | -21.7 | 178.2 | 72.9 | -174.7 | -169.7 | 0 | 0 | 113.5 | G502 L573 P644 E645 | G502-E648 PolarHBondContact N-OE2 3.18Å; L573-E648 HydrophobicContact CD1-CB 4.06Å; L573-E648 HydrophobicContact CD1-CG 3.76Å; P644-E648 PolarHBondContact O-N 3.45Å; P644-E648 VanDerWaalsContact O-N 3.09Å; E645-E648 WeakPolarHBondContact O-CG 3.34Å |
| 649 | R | 90.8 | Very high | 89.3 | Confident | 149 Ų | 149 | 79.7 Ų | 79.7 | 56% | 0.562 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 29.6 | 179.8 | -58 | -176.9 | -170.5 | -179.7 | 0.9 | 113.1 | E645 K646 | E645-R649 WeakPolarHBondContact O-CG 3.18Å; E645-R649 PolarHBondContact O-N 3.24Å; K646-R649 PolarHBondContact O-N 2.94Å |
| 650 | V | 90.6 | Very high | 91.4 | Very high | 41 Ų | 41 | 73.7 Ų | 73.7 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | trans | -65.9 | 137.4 | 177.3 | 67.6 | 0 | 0 | 0 | 0 | 110.7 | Y565 N652 P653 E656 | Y565-V650 HydrophobicContact CD1-CG1 4.32Å; Y565-V650 HydrophobicContact CE1-CG1 3.95Å; V650-N652 VanDerWaalsContact C-N 3.31Å; V650-N652 PolarHBondContact O-N 3.01Å; V650-P653 HydrophobicContact CG1-CB 4.19Å; V650-P653 HydrophobicContact CG1-CG 3.94Å; V650-E656 HydrophobicContact CG1-CG 4.43Å; V650-E656 HydrophobicContact CG2-CG 3.94Å | ||
| 651 | E | 88.5 | Confident | 92.8 | Very high | 178 Ų | 178 | 65.9 Ų | 65.9 | 83% | 0.832 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -63.1 | -36.6 | -178 | -64.5 | -178 | 173.4 | 0 | 0 | 112.7 | P653 | E651-P653 WeakPolarHBondContact O-CD 3.44Š|
| 652 | N | 91.9 | Very high | 93.5 | Very high | 101 Ų | 101 | 62.4 Ų | 62.4 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | trans | -125.4 | 76.6 | -176.7 | -68.5 | -53.8 | 0 | 0 | 0 | 112.1 | V650 L654 E655 E656 | V650-N652 VanDerWaalsContact C-N 3.31Å; V650-N652 PolarHBondContact O-N 3.01Å; N652-L654 PolarHBondContact O-N 3.44Å; N652-E655 HydrophobicContact CB-CB 4.26Å; N652-E655 HydrophobicContact CB-CG 4.07Å; N652-E655 PolarHBondContact O-N 3.25Å; N652-E655 VanDerWaalsContact O-N 3.11Å; N652-E656 PolarHBondContact O-N 3.11Å | ||
| 653 | P | 94 | Very high | 93.8 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.9 | -36.3 | -179.5 | -25.7 | 34 | 0 | 0 | 0 | 113.6 | Y565 V650 E651 E655 E656 A657 | Y565-P653 HydrophobicContact CD1-CB 3.98Å; Y565-P653 HydrophobicContact CG-CB 4.49Å; V650-P653 HydrophobicContact CG1-CB 4.19Å; V650-P653 HydrophobicContact CG1-CG 3.94Å; E651-P653 WeakPolarHBondContact O-CD 3.44Å; P653-E655 VanDerWaalsContact C-N 3.32Å; P653-E655 PolarHBondContact O-N 3.48Å; P653-E656 PolarHBondContact O-N 3.23Å; P653-A657 PolarHBondContact O-N 2.86Å |
| 654 | L | 95.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.5 | -30.2 | -178.9 | -61.2 | -179 | 0 | 0 | 0 | 112.9 | L566 Y569 N652 V658 R684 K685 | L566-L654 HydrophobicContact CD2-CD2 4.1Å; Y569-L654 HydrophobicContact CD1-CD1 4.36Å; Y569-L654 HydrophobicContact CD1-CD2 4.43Å; Y569-L654 HydrophobicContact CD2-CD1 3.69Å; Y569-L654 HydrophobicContact CD2-CD2 4.21Å; Y569-L654 HydrophobicContact CD2-CG 3.65Å; Y569-L654 HydrophobicContact CE1-CD1 4.23Å; Y569-L654 HydrophobicContact CE2-CD1 3.54Å; Y569-L654 HydrophobicContact CE2-CG 4.05Å; Y569-L654 HydrophobicContact CG-CD1 4.09Å; Y569-L654 HydrophobicContact CG-CD2 3.98Å; Y569-L654 HydrophobicContact CG-CG 3.95Å; N652-L654 PolarHBondContact O-N 3.44Å; L654-V658 VanDerWaalsContact O-CG2 3.26Å; L654-V658 WeakPolarHBondContact O-CG2 3.3Å; L654-V658 PolarHBondContact O-N 3.05Å; L654-V658 VanDerWaalsContact O-N 3.08Å; L654-R684 HydrophobicContact CD1-CB 3.94Å; L654-R684 HydrophobicContact CD2-CB 4.32Å; L654-K685 HydrophobicContact CB-CD 4.46Å; L654-K685 HydrophobicContact CB-CG 4.36Å; L654-K685 HydrophobicContact CD1-CG 3.7Å |
| 655 | E | 95.1 | Very high | 94 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.6 | -38.4 | 176.1 | -64.8 | -58 | 159.4 | 0 | 0 | 111.2 | N652 P653 A657 V658 K659 K685 | N652-E655 HydrophobicContact CB-CB 4.26Å; N652-E655 HydrophobicContact CB-CG 4.07Å; N652-E655 PolarHBondContact O-N 3.25Å; N652-E655 VanDerWaalsContact O-N 3.11Å; P653-E655 VanDerWaalsContact C-N 3.32Å; P653-E655 PolarHBondContact O-N 3.48Å; E655-A657 VanDerWaalsContact C-N 3.35Å; E655-V658 PolarHBondContact O-N 3.34Å; E655-K659 PolarHBondContact O-N 3.44Å; E655-K685 VanDerWaalsContact CD-NZ 3.29Å; E655-K685 IonicContact OE1-NZ 3.6Å; E655-K685 PolarHBondContact OE1-NZ 3.4Å; E655-K685 IonicContact OE2-NZ 3.21Å; E655-K685 PolarHBondContact OE2-NZ 3.34Å |
| 656 | E | 95.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 60.4 Ų | 60.4 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 172 | -63.3 | -53.5 | 134.5 | 0 | 0 | 111.7 | Y565 V650 N652 P653 V658 K659 F660 | Y565-E656 HydrophobicContact CD1-CB 4.35Å; Y565-E656 HydrophobicContact CD2-CB 4.09Å; Y565-E656 HydrophobicContact CE1-CB 3.9Å; Y565-E656 HydrophobicContact CE1-CG 4.41Å; Y565-E656 HydrophobicContact CE2-CB 3.61Å; Y565-E656 HydrophobicContact CG-CB 4.44Å; V650-E656 HydrophobicContact CG1-CG 4.43Å; V650-E656 HydrophobicContact CG2-CG 3.94Å; N652-E656 PolarHBondContact O-N 3.11Å; P653-E656 PolarHBondContact O-N 3.23Å; E656-V658 VanDerWaalsContact C-N 3.28Å; E656-V658 PolarHBondContact O-N 2.93Å; E656-K659 WeakPolarHBondContact O-CB 2.99Å; E656-K659 PolarHBondContact O-N 3.26Å; E656-K659 IonicContact OE1-NZ 3.15Å; E656-K659 PolarHBondContact OE1-NZ 2.66Å; E656-K659 WeakPolarHBondContact OE2-CD 3.34Å; E656-K659 IonicContact OE2-NZ 3.62Å; E656-K659 PolarHBondContact OE2-NZ 2.96Å; E656-F660 PolarHBondContact O-N 2.91Å |
| 657 | A | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I562 Y565 P653 E655 K659 F660 L661 I681 | I562-A657 HydrophobicContact CG1-CB 4.38Å; Y565-A657 HydrophobicContact CD2-CB 4.19Å; Y565-A657 HydrophobicContact CG-CB 4.39Å; P653-A657 PolarHBondContact O-N 2.86Å; E655-A657 VanDerWaalsContact C-N 3.35Å; A657-K659 VanDerWaalsContact C-N 3.32Å; A657-K659 PolarHBondContact O-N 3.19Å; A657-F660 PolarHBondContact O-N 3.04Å; A657-L661 WeakPolarHBondContact O-CB 3.45Å; A657-L661 PolarHBondContact O-N 3.47Å; A657-I681 HydrophobicContact CB-CD1 3.96Å; A657-I681 HydrophobicContact CB-CG1 4.29Å |
| 658 | V | 96.8 | Very high | 94.6 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 177 | 168.3 | 0 | 0 | 0 | 0 | 111.7 | L654 E655 E656 F660 L661 I662 I681 | L654-V658 VanDerWaalsContact O-CG2 3.26Å; L654-V658 WeakPolarHBondContact O-CG2 3.3Å; L654-V658 PolarHBondContact O-N 3.05Å; L654-V658 VanDerWaalsContact O-N 3.08Å; E655-V658 PolarHBondContact O-N 3.34Å; E656-V658 VanDerWaalsContact C-N 3.28Å; E656-V658 PolarHBondContact O-N 2.93Å; V658-F660 VanDerWaalsContact C-N 3.32Å; V658-F660 PolarHBondContact O-N 3.04Å; V658-L661 PolarHBondContact O-N 3.4Å; V658-L661 VanDerWaalsContact O-N 3.08Å; V658-I662 HydrophobicContact CG1-CD1 3.85Å; V658-I662 HydrophobicContact CG1-CG1 4.09Å; V658-I662 WeakPolarHBondContact O-CG1 3.45Å; V658-I662 PolarHBondContact O-N 3.37Å; V658-I681 HydrophobicContact CG2-CG2 3.83Å |
| 659 | K | 96.5 | Very high | 94.6 | Very high | 120 Ų | 120 | 54.6 Ų | 54.6 | 52% | 0.522 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 176.6 | -65.2 | 177.2 | -170.7 | 166.4 | 0 | 112.1 | E655 E656 A657 P663 | E655-K659 PolarHBondContact O-N 3.44Å; E656-K659 WeakPolarHBondContact O-CB 2.99Å; E656-K659 PolarHBondContact O-N 3.26Å; E656-K659 IonicContact OE1-NZ 3.15Å; E656-K659 PolarHBondContact OE1-NZ 2.66Å; E656-K659 WeakPolarHBondContact OE2-CD 3.34Å; E656-K659 IonicContact OE2-NZ 3.62Å; E656-K659 PolarHBondContact OE2-NZ 2.96Å; A657-K659 VanDerWaalsContact C-N 3.32Å; A657-K659 PolarHBondContact O-N 3.19Å; K659-P663 VanDerWaalsContact O-CD 3.23Å; K659-P663 WeakPolarHBondContact O-CD 3.39Å |
| 660 | F | 97.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.7 | -29.1 | 174.2 | -76.3 | -80.8 | 0 | 0 | 0 | 113.1 | C508 H509 E512 Y554 A558 A561 I562 Y565 E656 A657 V658 | C508-F660 HydrophobicContact CB-CZ 4.35Å; H509-F660 AromaticContact CE1-CE2 3.71Å; H509-F660 AromaticContact CE1-CZ 3.88Å; H509-F660 AromaticContact ND1-CZ 3.95Å; H509-F660 AromaticContact NE2-CE2 3.9Å; E512-F660 HydrophobicContact CB-CE1 4.04Å; E512-F660 HydrophobicContact CB-CZ 4.48Å; Y554-F660 PolarHBondContact OH-O 3.41Å; A558-F660 HydrophobicContact CB-CB 4.03Å; A558-F660 HydrophobicContact CB-CD1 3.97Å; A558-F660 HydrophobicContact CB-CG 4.45Å; A561-F660 HydrophobicContact CB-CD1 4.25Å; A561-F660 HydrophobicContact CB-CD2 3.84Å; A561-F660 HydrophobicContact CB-CE1 4.32Å; A561-F660 HydrophobicContact CB-CE2 3.92Å; A561-F660 HydrophobicContact CB-CG 4.01Å; A561-F660 HydrophobicContact CB-CZ 4.16Å; I562-F660 HydrophobicContact CD1-CB 4.3Å; I562-F660 HydrophobicContact CG1-CB 4.11Å; Y565-F660 HydrophobicContact CE2-CD2 4.27Å; Y565-F660 HydrophobicContact CE2-CE2 4.19Å; E656-F660 PolarHBondContact O-N 2.91Å; A657-F660 PolarHBondContact O-N 3.04Å; V658-F660 VanDerWaalsContact C-N 3.32Å; V658-F660 PolarHBondContact O-N 3.04Å |
| 661 | L | 97 | Very high | 95 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.6 | -35.7 | 179.8 | -178.1 | 69.9 | 0 | 0 | 0 | 113 | I562 A657 V658 L664 K665 L677 A678 I681 | I562-L661 HydrophobicContact CD1-CB 4.11Å; I562-L661 HydrophobicContact CD1-CD1 4.24Å; A657-L661 WeakPolarHBondContact O-CB 3.45Å; A657-L661 PolarHBondContact O-N 3.47Å; V658-L661 PolarHBondContact O-N 3.4Å; V658-L661 VanDerWaalsContact O-N 3.08Å; L661-L664 WeakPolarHBondContact O-CB 3.4Å; L661-L664 PolarHBondContact O-N 2.91Å; L661-L664 VanDerWaalsContact O-N 3.13Å; L661-K665 HydrophobicContact CD1-CD 4.49Å; L661-K665 HydrophobicContact CD1-CG 4.2Å; L661-K665 HydrophobicContact CD2-CD 3.82Å; L661-K665 HydrophobicContact CD2-CG 4.43Å; L661-K665 HydrophobicContact CG-CD 3.82Å; L661-K665 HydrophobicContact CG-CG 3.94Å; L661-K665 PolarHBondContact O-N 3.27Å; L661-L677 HydrophobicContact CD1-CB 4.34Å; L661-A678 HydrophobicContact CD1-CB 4Å; L661-A678 HydrophobicContact CD2-CB 3.78Å; L661-A678 HydrophobicContact CG-CB 4.43Å; L661-I681 HydrophobicContact CB-CD1 4.18Å; L661-I681 HydrophobicContact CD2-CD1 3.77Å; L661-I681 HydrophobicContact CG-CD1 4.36Å |
| 662 | I | 96.4 | Very high | 95.4 | Very high | 82 Ų | 82 | 44.6 Ų | 44.6 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.7 | -51.1 | -173.2 | -74.7 | 161.5 | 0 | 0 | 0 | 111.9 | V658 L664 K665 N666 | V658-I662 HydrophobicContact CG1-CD1 3.85Å; V658-I662 HydrophobicContact CG1-CG1 4.09Å; V658-I662 WeakPolarHBondContact O-CG1 3.45Å; V658-I662 PolarHBondContact O-N 3.37Å; I662-L664 VanDerWaalsContact C-N 3.28Å; I662-L664 PolarHBondContact O-N 3.33Å; I662-K665 PolarHBondContact O-N 3.46Å; I662-N666 PolarHBondContact O-N 3.34Å; I662-N666 VanDerWaalsContact O-N 3.14Å |
| 663 | P | 96.4 | Very high | 95.6 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -33.4 | 179.3 | -25.4 | 38.4 | 0 | 0 | 0 | 112.7 | R549 Y554 K659 N666 L667 | R549-P663 HydrophobicContact CB-CB 4.04Å; R549-P663 HydrophobicContact CG-CB 4.49Å; Y554-P663 HydrophobicContact CE1-CB 3.7Å; Y554-P663 HydrophobicContact CE1-CG 4.26Å; Y554-P663 WeakPolarHBondContact OH-CD 3.39Å; Y554-P663 VanDerWaalsContact OH-CG 3.24Å; Y554-P663 WeakPolarHBondContact OH-CG 3.49Å; K659-P663 VanDerWaalsContact O-CD 3.23Å; K659-P663 WeakPolarHBondContact O-CD 3.39Å; P663-N666 PolarHBondContact O-N 3.2Å; P663-L667 WeakPolarHBondContact O-CB 3.49Å; P663-L667 PolarHBondContact O-N 3.41Å |
| 664 | L | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 174.6 | -57.6 | -174.2 | 0 | 0 | 0 | 111.7 | Y554 F555 A558 I562 L661 I662 N666 V668 T674 | Y554-L664 HydrophobicContact CD1-CD2 3.65Å; Y554-L664 HydrophobicContact CE1-CD2 3.6Å; Y554-L664 HydrophobicContact CE1-CG 4.07Å; F555-L664 HydrophobicContact CB-CD2 4.47Å; F555-L664 HydrophobicContact CD2-CD1 4.31Å; F555-L664 HydrophobicContact CD2-CD2 3.85Å; F555-L664 HydrophobicContact CE2-CD1 4.4Å; A558-L664 HydrophobicContact CB-CD1 3.88Å; A558-L664 HydrophobicContact CB-CD2 4.34Å; A558-L664 HydrophobicContact CB-CG 4.23Å; I562-L664 HydrophobicContact CD1-CD1 4.32Å; L661-L664 WeakPolarHBondContact O-CB 3.4Å; L661-L664 PolarHBondContact O-N 2.91Å; L661-L664 VanDerWaalsContact O-N 3.13Å; I662-L664 VanDerWaalsContact C-N 3.28Å; I662-L664 PolarHBondContact O-N 3.33Å; L664-N666 VanDerWaalsContact C-N 3.25Å; L664-N666 PolarHBondContact O-N 3.17Å; L664-V668 HydrophobicContact CD2-CG2 4.09Å; L664-V668 CarbonylContact O-C 3.13Å; L664-V668 VanDerWaalsContact O-CA 3.25Å; L664-V668 WeakPolarHBondContact O-CA 3.28Å; L664-V668 WeakPolarHBondContact O-CB 3.41Å; L664-V668 PolarHBondContact O-N 3.31Å; L664-T674 HydrophobicContact CB-CG2 3.77Å; L664-T674 WeakPolarHBondContact O-CG2 3.42Å |
| 665 | K | 94.6 | Very high | 95.8 | Very high | 42 Ų | 42 | 40.2 Ų | 40.2 | 18% | 0.183 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -33.3 | 178.2 | -76.6 | 179.7 | 68.8 | -173.7 | 0 | 113 | L661 I662 T674 Y682 | L661-K665 HydrophobicContact CD1-CD 4.49Å; L661-K665 HydrophobicContact CD1-CG 4.2Å; L661-K665 HydrophobicContact CD2-CD 3.82Å; L661-K665 HydrophobicContact CD2-CG 4.43Å; L661-K665 HydrophobicContact CG-CD 3.82Å; L661-K665 HydrophobicContact CG-CG 3.94Å; L661-K665 PolarHBondContact O-N 3.27Å; I662-K665 PolarHBondContact O-N 3.46Å; K665-T674 HydrophobicContact CG-CG2 4.23Å; K665-Y682 PolarHBondContact NZ-OH 3.38Å |
| 666 | N | 94.7 | Very high | 96 | Very high | 120 Ų | 120 | 36 Ų | 36 | 64% | 0.642 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -83.1 | -41.1 | -177.5 | -66.6 | -10.1 | 0 | 0 | 0 | 112 | I662 P663 L664 | I662-N666 PolarHBondContact O-N 3.34Å; I662-N666 VanDerWaalsContact O-N 3.14Å; P663-N666 PolarHBondContact O-N 3.2Å; L664-N666 VanDerWaalsContact C-N 3.25Å; L664-N666 PolarHBondContact O-N 3.17Å |
| 667 | L | 95.5 | Very high | 96.1 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -109.7 | -18.7 | -168.3 | -56 | 177.4 | 0 | 0 | 0 | 114.5 | D546 I547 R549 R550 P663 | D546-L667 WeakPolarHBondContact O-CD2 3.43Å; I547-L667 HydrophobicContact CG2-CD2 4.44Å; R549-L667 HydrophobicContact CB-CD1 3.79Å; R550-L667 HydrophobicContact CB-CB 4.38Å; P663-L667 WeakPolarHBondContact O-CB 3.49Å; P663-L667 PolarHBondContact O-N 3.41Å |
| 668 | V | 94.6 | Very high | 96.1 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | trans | -128.6 | 44.2 | -173.7 | -158.2 | 0 | 0 | 0 | 0 | 110.2 | R550 F555 L664 D670 N671 T674 | R550-V668 HydrophobicContact CG-CG2 4.29Å; F555-V668 HydrophobicContact CD2-CG1 4.28Å; L664-V668 HydrophobicContact CD2-CG2 4.09Å; L664-V668 CarbonylContact O-C 3.13Å; L664-V668 VanDerWaalsContact O-CA 3.25Å; L664-V668 WeakPolarHBondContact O-CA 3.28Å; L664-V668 WeakPolarHBondContact O-CB 3.41Å; L664-V668 PolarHBondContact O-N 3.31Å; V668-D670 WeakPolarHBondContact CA-OD1 3.35Å; V668-D670 PolarHBondContact O-N 3.47Å; V668-N671 HydrophobicContact CG1-CB 3.67Å; V668-N671 PolarHBondContact O-N 3.03Å; V668-T674 WeakPolarHBondContact O-CB 3.26Å; V668-T674 PolarHBondContact O-OG1 2.96Å | ||
| 669 | A | 92.7 | Very high | 96.1 | Very high | 46 Ų | 46 | 33.1 Ų | 33.1 | 38% | 0.38 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -13.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N671 H675 I701 | A669-N671 VanDerWaalsContact C-N 3.34Å; A669-H675 PolarHBondContact O-NE2 2.85Å; A669-I701 WeakPolarHBondContact O-CD1 3.23Å |
| 670 | D | 94.3 | Very high | 96.2 | Very high | 93 Ų | 93 | 28.1 Ų | 28.1 | 50% | 0.497 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -18.5 | 173.6 | 55 | -24.7 | 0 | 0 | 0 | 113.1 | R550 V668 | R550-D670 IonicContact CZ-OD2 2.82Å; R550-D670 IonicContact NH2-OD2 3.23Å; R550-D670 PolarHBondContact NH2-OD2 3.18Å; V668-D670 WeakPolarHBondContact CA-OD1 3.35Å; V668-D670 PolarHBondContact O-N 3.47Å |
| 671 | N | 95.2 | Very high | 96.1 | Very high | 47 Ų | 47 | 27.9 Ų | 27.9 | 25% | 0.251 | 15% | 0.153 | S | C | . | . | trans | -91.6 | 124.7 | 177.8 | -169.9 | -16.9 | 0 | 0 | 0 | 111.7 | F555 V668 A669 D673 T674 H675 | F555-N671 VanDerWaalsContact CE2-ND2 3.32Å; F555-N671 WeakPolarHBondContact CE2-ND2 3.26Å; F555-N671 VanDerWaalsContact CZ-ND2 3.27Å; F555-N671 WeakPolarHBondContact CZ-ND2 3.25Å; V668-N671 HydrophobicContact CG1-CB 3.67Å; V668-N671 PolarHBondContact O-N 3.03Å; A669-N671 VanDerWaalsContact C-N 3.34Å; N671-D673 VanDerWaalsContact C-N 3.29Å; N671-D673 PolarHBondContact O-N 3.46Å; N671-D673 WeakPolarHBondContact OD1-CB 3.25Å; N671-D673 PolarHBondContact OD1-N 3.43Å; N671-T674 VanDerWaalsContact O-CB 3.32Å; N671-T674 WeakPolarHBondContact O-CB 3.23Å; N671-T674 PolarHBondContact O-N 2.89Å; N671-H675 PolarHBondContact O-CD2 3.44Å | ||
| 672 | I | 96.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 9% | 0.087 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.9 | -37.4 | 178.7 | -167.2 | 165.3 | 0 | 0 | 0 | 112.8 | T674 H675 L676 A698 I701 N702 N705 L708 | I672-T674 PolarHBondContact O-N 3.16Å; I672-H675 PolarHBondContact O-N 2.9Å; I672-L676 HydrophobicContact CD1-CD1 4.42Å; I672-L676 HydrophobicContact CG1-CD1 3.89Å; I672-L676 HydrophobicContact CG1-CG 4.11Å; I672-L676 WeakPolarHBondContact O-CG 3.42Å; I672-L676 PolarHBondContact O-N 2.88Å; I672-A698 HydrophobicContact CD1-CB 4.26Å; I672-A698 HydrophobicContact CG1-CB 3.86Å; I672-I701 HydrophobicContact CB-CD1 4.5Å; I672-I701 HydrophobicContact CB-CG2 4.17Å; I672-N702 HydrophobicContact CD1-CB 4.02Å; I672-N705 HydrophobicContact CD1-CB 3.51Å; I672-L708 HydrophobicContact CD1-CB 4.49Å |
| 673 | D | 96.3 | Very high | 96 | Very high | 33 Ų | 33 | 28 Ų | 28 | 18% | 0.176 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.9 | -33 | -179.3 | -78.5 | 3 | 0 | 0 | 0 | 111.5 | F555 R559 N671 H675 L676 L677 | F555-D673 HydrophobicContact CZ-CB 3.76Å; R559-D673 IonicContact CZ-OD2 3.77Å; R559-D673 IonicContact NH1-OD2 2.99Å; R559-D673 PolarHBondContact NH1-OD2 3.36Å; N671-D673 VanDerWaalsContact C-N 3.29Å; N671-D673 PolarHBondContact O-N 3.46Å; N671-D673 WeakPolarHBondContact OD1-CB 3.25Å; N671-D673 PolarHBondContact OD1-N 3.43Å; D673-H675 VanDerWaalsContact C-N 3.33Å; D673-H675 PolarHBondContact O-N 3.37Å; D673-L676 PolarHBondContact O-N 3.48Å; D673-L677 WeakPolarHBondContact O-CB 3.14Å; D673-L677 WeakPolarHBondContact O-CG 3.27Å; D673-L677 PolarHBondContact O-N 3.31Å |
| 674 | T | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | L664 K665 V668 N671 I672 A678 | L664-T674 HydrophobicContact CB-CG2 3.77Å; L664-T674 WeakPolarHBondContact O-CG2 3.42Å; K665-T674 HydrophobicContact CG-CG2 4.23Å; V668-T674 WeakPolarHBondContact O-CB 3.26Å; V668-T674 PolarHBondContact O-OG1 2.96Å; N671-T674 VanDerWaalsContact O-CB 3.32Å; N671-T674 WeakPolarHBondContact O-CB 3.23Å; N671-T674 PolarHBondContact O-N 2.89Å; I672-T674 PolarHBondContact O-N 3.16Å; T674-A678 WeakPolarHBondContact O-CB 3.47Å; T674-A678 PolarHBondContact O-N 3.01Å |
| 675 | H | 97.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -76.7 | -32.2 | -177.6 | -55.3 | -66.1 | 0 | 0 | 0 | 111.6 | A669 N671 I672 D673 A678 F679 S694 R697 A698 I701 | A669-H675 PolarHBondContact O-NE2 2.85Å; N671-H675 PolarHBondContact O-CD2 3.44Å; I672-H675 PolarHBondContact O-N 2.9Å; D673-H675 VanDerWaalsContact C-N 3.33Å; D673-H675 PolarHBondContact O-N 3.37Å; H675-A678 WeakPolarHBondContact O-CB 3.49Å; H675-A678 PolarHBondContact O-N 3.49Å; H675-F679 WeakPolarHBondContact O-CB 3.39Å; H675-F679 PolarHBondContact O-N 3.42Å; H675-S694 WeakPolarHBondContact CB-O 3.22Å; H675-S694 WeakPolarHBondContact O-CB 3.13Å; H675-R697 HydrophobicContact CB-CB 4.46Å; H675-A698 HydrophobicContact CB-CB 4Å; H675-I701 VanDerWaalsContact CD2-CD1 3.5Å; H675-I701 WeakPolarHBondContact CD2-CD1 3.4Å |
| 676 | L | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -42.3 | 175 | -62.4 | 175.3 | 0 | 0 | 0 | 111.6 | I672 D673 A678 F679 E680 A698 W707 L708 C711 | I672-L676 HydrophobicContact CD1-CD1 4.42Å; I672-L676 HydrophobicContact CG1-CD1 3.89Å; I672-L676 HydrophobicContact CG1-CG 4.11Å; I672-L676 WeakPolarHBondContact O-CG 3.42Å; I672-L676 PolarHBondContact O-N 2.88Å; D673-L676 PolarHBondContact O-N 3.48Å; L676-A678 VanDerWaalsContact C-N 3.33Å; L676-A678 PolarHBondContact O-N 2.94Å; L676-F679 WeakPolarHBondContact O-CB 3.48Å; L676-F679 PolarHBondContact O-N 3Å; L676-E680 PolarHBondContact O-N 3.18Å; L676-A698 HydrophobicContact CD2-CB 4.14Å; L676-W707 HydrophobicContact CB-CD2 3.81Å; L676-W707 HydrophobicContact CB-CE3 3.68Å; L676-W707 HydrophobicContact CB-CH2 3.82Å; L676-W707 HydrophobicContact CB-CZ2 3.94Å; L676-W707 HydrophobicContact CB-CZ3 3.67Å; L676-W707 HydrophobicContact CD1-CB 3.9Å; L676-W707 HydrophobicContact CD1-CD2 3.6Å; L676-W707 HydrophobicContact CD1-CE3 3.33Å; L676-W707 HydrophobicContact CD1-CG 3.86Å; L676-W707 HydrophobicContact CD1-CZ3 4.07Å; L676-W707 HydrophobicContact CG-CD2 4.24Å; L676-W707 HydrophobicContact CG-CE3 4.13Å; L676-L708 HydrophobicContact CD2-CB 3.98Å; L676-L708 HydrophobicContact CD2-CD1 4Å; L676-C711 HydrophobicContact CD2-CB 4.46Å |
| 677 | L | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 170.8 | -70.3 | 167.7 | 0 | 0 | 0 | 111.5 | R559 I562 E563 L661 D673 F679 E680 I681 W707 | R559-L677 HydrophobicContact CB-CD1 4.26Å; R559-L677 HydrophobicContact CG-CD1 4.22Å; I562-L677 HydrophobicContact CB-CD2 4.37Å; I562-L677 HydrophobicContact CD1-CD1 4.27Å; I562-L677 HydrophobicContact CG2-CB 4.32Å; I562-L677 HydrophobicContact CG2-CD2 3.81Å; E563-L677 HydrophobicContact CG-CD2 4.45Å; L661-L677 HydrophobicContact CD1-CB 4.34Å; D673-L677 WeakPolarHBondContact O-CB 3.14Å; D673-L677 WeakPolarHBondContact O-CG 3.27Å; D673-L677 PolarHBondContact O-N 3.31Å; L677-F679 VanDerWaalsContact C-N 3.32Å; L677-F679 PolarHBondContact O-N 3.26Å; L677-E680 PolarHBondContact O-N 3.04Å; L677-I681 WeakPolarHBondContact O-CG1 3.31Å; L677-I681 PolarHBondContact O-N 3.36Å; L677-W707 HydrophobicContact CD2-CH2 3.89Å; L677-W707 HydrophobicContact CG-CH2 4.02Å |
| 678 | A | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L661 T674 H675 L676 I681 Y682 S694 | L661-A678 HydrophobicContact CD1-CB 4Å; L661-A678 HydrophobicContact CD2-CB 3.78Å; L661-A678 HydrophobicContact CG-CB 4.43Å; T674-A678 WeakPolarHBondContact O-CB 3.47Å; T674-A678 PolarHBondContact O-N 3.01Å; H675-A678 WeakPolarHBondContact O-CB 3.49Å; H675-A678 PolarHBondContact O-N 3.49Å; L676-A678 VanDerWaalsContact C-N 3.33Å; L676-A678 PolarHBondContact O-N 2.94Å; A678-I681 PolarHBondContact O-N 3.07Å; A678-Y682 HydrophobicContact CB-CD2 4.32Å; A678-Y682 HydrophobicContact CB-CE2 4.01Å; A678-Y682 WeakPolarHBondContact O-CB 3.42Å; A678-Y682 WeakPolarHBondContact O-CD2 3.42Å; A678-Y682 VanDerWaalsContact O-CG 3.3Å; A678-Y682 PolarHBondContact O-N 3.03Å; A678-S694 WeakPolarHBondContact CB-OG 3.11Å |
| 679 | F | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 175.2 | 174.8 | -91.6 | 0 | 0 | 0 | 111.4 | H675 L676 L677 I681 Y682 F683 M691 V695 C711 F715 | H675-F679 WeakPolarHBondContact O-CB 3.39Å; H675-F679 PolarHBondContact O-N 3.42Å; L676-F679 WeakPolarHBondContact O-CB 3.48Å; L676-F679 PolarHBondContact O-N 3Å; L677-F679 VanDerWaalsContact C-N 3.32Å; L677-F679 PolarHBondContact O-N 3.26Å; F679-I681 VanDerWaalsContact C-N 3.29Å; F679-I681 PolarHBondContact O-N 3.41Å; F679-Y682 PolarHBondContact O-N 3.16Å; F679-F683 HydrophobicContact CE1-CB 4.25Å; F679-F683 HydrophobicContact CE1-CD2 4.27Å; F679-F683 HydrophobicContact CE1-CG 4.39Å; F679-F683 HydrophobicContact CZ-CB 4.43Å; F679-F683 AromaticContact CZ-CD2 3.95Å; F679-F683 HydrophobicContact CZ-CD2 3.95Å; F679-F683 HydrophobicContact CZ-CG 4.47Å; F679-F683 WeakPolarHBondContact O-CB 3.46Å; F679-F683 PolarHBondContact O-N 2.96Å; F679-M691 HydrophobicContact CD2-CB 3.93Å; F679-M691 HydrophobicContact CD2-CG 4.22Å; F679-M691 HydrophobicContact CE2-CB 3.92Å; F679-M691 HydrophobicContact CE2-CG 4.17Å; F679-M691 HydrophobicContact CE2-SD 4.25Å; F679-V695 HydrophobicContact CD2-CG2 3.48Å; F679-V695 VanDerWaalsContact CD2-CG2 3.48Å; F679-V695 HydrophobicContact CE2-CG2 3.72Å; F679-V695 HydrophobicContact CG-CG2 4.33Å; F679-C711 HydrophobicContact CD1-CB 3.62Å; F679-C711 WeakPolarHBondContact CD1-SG 3.48Å; F679-C711 HydrophobicContact CD2-CB 4.46Å; F679-C711 HydrophobicContact CE1-CB 3.56Å; F679-C711 HydrophobicContact CE2-CB 4.39Å; F679-C711 HydrophobicContact CG-CB 4.08Å; F679-C711 HydrophobicContact CZ-CB 3.96Å; F679-C711 VanDerWaalsContact CZ-O 3.3Å; F679-C711 WeakPolarHBondContact CZ-O 3.44Å; F679-F715 HydrophobicContact CE2-CB 3.75Å; F679-F715 HydrophobicContact CE2-CD2 4.01Å; F679-F715 HydrophobicContact CE2-CG 4.12Å; F679-F715 HydrophobicContact CZ-CB 3.87Å |
| 680 | E | 97.4 | Very high | 95.2 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | -179.5 | -68.4 | -64.6 | 171.8 | 0 | 0 | 113.2 | L566 L676 L677 R684 W707 R714 | L566-E680 HydrophobicContact CD1-CB 3.73Å; L566-E680 HydrophobicContact CD1-CG 4.47Å; L566-E680 HydrophobicContact CD2-CB 4.22Å; L676-E680 PolarHBondContact O-N 3.18Å; L677-E680 PolarHBondContact O-N 3.04Å; E680-R684 PolarHBondContact O-N 2.89Å; E680-R684 PolarHBondContact O-NH1 3.44Å; E680-R684 IonicContact OE2-CZ 3.82Å; E680-R684 IonicContact OE2-NH1 3.9Å; E680-R684 PolarHBondContact OE2-NH1 3.49Å; E680-R684 IonicContact OE2-NH2 3.71Å; E680-W707 HydrophobicContact CG-CZ2 3.96Å; E680-W707 PolarHBondContact OE1-NE1 3.31Å; E680-R714 IonicContact OE1-CZ 2.63Å; E680-R714 VanDerWaalsContact OE1-CZ 3.32Å; E680-R714 IonicContact OE1-NH1 2.77Å; E680-R714 PolarHBondContact OE1-NH1 3.37Å; E680-R714 IonicContact OE1-NH2 3.58Å; E680-R714 PolarHBondContact OE1-NH2 3.35Å; E680-R714 IonicContact OE2-CZ 2.87Å; E680-R714 IonicContact OE2-NH1 3.78Å; E680-R714 PolarHBondContact OE2-NH1 2.93Å; E680-R714 IonicContact OE2-NH2 3.37Å |
| 681 | I | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.2 | -51.1 | 175.1 | -68 | 163.7 | 0 | 0 | 0 | 110.1 | I562 L566 A657 V658 L661 L677 A678 F679 F683 R684 K685 | I562-I681 HydrophobicContact CG1-CD1 4.45Å; I562-I681 HydrophobicContact CG2-CD1 3.74Å; I562-I681 HydrophobicContact CG2-CG1 4.18Å; L566-I681 HydrophobicContact CD2-CG1 3.95Å; A657-I681 HydrophobicContact CB-CD1 3.96Å; A657-I681 HydrophobicContact CB-CG1 4.29Å; V658-I681 HydrophobicContact CG2-CG2 3.83Å; L661-I681 HydrophobicContact CB-CD1 4.18Å; L661-I681 HydrophobicContact CD2-CD1 3.77Å; L661-I681 HydrophobicContact CG-CD1 4.36Å; L677-I681 WeakPolarHBondContact O-CG1 3.31Å; L677-I681 PolarHBondContact O-N 3.36Å; A678-I681 PolarHBondContact O-N 3.07Å; F679-I681 VanDerWaalsContact C-N 3.29Å; F679-I681 PolarHBondContact O-N 3.41Å; I681-F683 VanDerWaalsContact C-N 3.3Å; I681-F683 PolarHBondContact O-N 2.71Å; I681-R684 PolarHBondContact O-N 3.03Å; I681-K685 HydrophobicContact CG2-CD 4.11Å; I681-K685 HydrophobicContact CG2-CG 4.48Å; I681-K685 WeakPolarHBondContact O-CG 3.3Å; I681-K685 PolarHBondContact O-N 3.01Å |
| 682 | Y | 96.2 | Very high | 95.1 | Very high | 21 Ų | 21 | 29.2 Ų | 29.2 | 8% | 0.082 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.3 | -27.4 | -176.8 | -63.7 | -41.3 | 0 | 0 | 0 | 113.6 | K665 A678 F679 K685 G686 K687 L690 | K665-Y682 PolarHBondContact NZ-OH 3.38Å; A678-Y682 HydrophobicContact CB-CD2 4.32Å; A678-Y682 HydrophobicContact CB-CE2 4.01Å; A678-Y682 WeakPolarHBondContact O-CB 3.42Å; A678-Y682 WeakPolarHBondContact O-CD2 3.42Å; A678-Y682 VanDerWaalsContact O-CG 3.3Å; A678-Y682 PolarHBondContact O-N 3.03Å; F679-Y682 PolarHBondContact O-N 3.16Å; Y682-K685 CarbonylContact O-C 3.57Å; Y682-K685 PolarHBondContact O-N 3.37Å; Y682-G686 PolarHBondContact O-N 2.89Å; Y682-K687 HydrophobicContact CD1-CB 4.48Å; Y682-K687 PolarHBondContact O-N 3.19Å; Y682-L690 HydrophobicContact CD1-CB 4.06Å; Y682-L690 HydrophobicContact CD1-CD1 3.8Å; Y682-L690 HydrophobicContact CD2-CB 3.5Å; Y682-L690 VanDerWaalsContact CD2-CB 3.5Å; Y682-L690 HydrophobicContact CE1-CB 4.36Å; Y682-L690 HydrophobicContact CE1-CD1 3.61Å; Y682-L690 HydrophobicContact CE2-CB 3.82Å; Y682-L690 HydrophobicContact CE2-CD1 4.33Å; Y682-L690 HydrophobicContact CG-CB 3.64Å; Y682-L690 HydrophobicContact CG-CD1 4.28Å |
| 683 | F | 95.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 31.9 Ų | 31.9 | 28% | 0.276 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60 | -50.3 | 171 | -177.5 | -98.7 | 0 | 0 | 0 | 110.5 | F679 I681 K685 G686 M691 R714 | F679-F683 HydrophobicContact CE1-CB 4.25Å; F679-F683 HydrophobicContact CE1-CD2 4.27Å; F679-F683 HydrophobicContact CE1-CG 4.39Å; F679-F683 HydrophobicContact CZ-CB 4.43Å; F679-F683 AromaticContact CZ-CD2 3.95Å; F679-F683 HydrophobicContact CZ-CD2 3.95Å; F679-F683 HydrophobicContact CZ-CG 4.47Å; F679-F683 WeakPolarHBondContact O-CB 3.46Å; F679-F683 PolarHBondContact O-N 2.96Å; I681-F683 VanDerWaalsContact C-N 3.3Å; I681-F683 PolarHBondContact O-N 2.71Å; F683-K685 PolarHBondContact O-N 3.08Å; F683-G686 PolarHBondContact O-N 2.9Å; F683-G686 VanDerWaalsContact O-N 3.16Å; F683-M691 VanDerWaalsContact CA-SD 3.58Å; F683-M691 HydrophobicContact CB-SD 4.06Å; F683-M691 HydrophobicContact CD2-SD 3.83Å; F683-M691 HydrophobicContact CG-SD 4.42Å; F683-R714 HydrophobicContact CE2-CB 4.38Å |
| 684 | R | 93.8 | Very high | 95 | Very high | 55 Ų | 55 | 30.5 Ų | 30.5 | 21% | 0.208 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.9 | -33.1 | 176 | -72.4 | 165.2 | -178.9 | 74.3 | 1 | 113.4 | Y569 D570 L654 E680 I681 G686 | Y569-R684 HydrophobicContact CD1-CB 4.09Å; Y569-R684 HydrophobicContact CD1-CG 3.99Å; Y569-R684 HydrophobicContact CE1-CB 3.74Å; Y569-R684 HydrophobicContact CE1-CG 3.91Å; D570-R684 IonicContact OD1-CZ 3.07Å; D570-R684 IonicContact OD1-NE 2.66Å; D570-R684 PolarHBondContact OD1-NE 2.88Å; D570-R684 IonicContact OD1-NH2 3.32Å; D570-R684 IonicContact OD2-CZ 2.63Å; D570-R684 IonicContact OD2-NE 3.95Å; D570-R684 PolarHBondContact OD2-NE 2.81Å; D570-R684 IonicContact OD2-NH2 3.95Å; D570-R684 PolarHBondContact OD2-NH2 3.26Å; L654-R684 HydrophobicContact CD1-CB 3.94Å; L654-R684 HydrophobicContact CD2-CB 4.32Å; E680-R684 PolarHBondContact O-N 2.89Å; E680-R684 PolarHBondContact O-NH1 3.44Å; E680-R684 IonicContact OE2-CZ 3.82Å; E680-R684 IonicContact OE2-NH1 3.9Å; E680-R684 PolarHBondContact OE2-NH1 3.49Å; E680-R684 IonicContact OE2-NH2 3.71Å; I681-R684 PolarHBondContact O-N 3.03Å; R684-G686 VanDerWaalsContact C-N 3.25Å; R684-G686 PolarHBondContact O-N 3.21Å |
| 685 | K | 93.1 | Very high | 95 | Very high | 65 Ų | 65 | 30.5 Ų | 30.5 | 28% | 0.283 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -5.3 | 173.2 | -63.9 | -172.8 | 84.1 | 164.2 | 0 | 114 | L654 E655 I681 Y682 F683 K687 | L654-K685 HydrophobicContact CB-CD 4.46Å; L654-K685 HydrophobicContact CB-CG 4.36Å; L654-K685 HydrophobicContact CD1-CG 3.7Å; E655-K685 VanDerWaalsContact CD-NZ 3.29Å; E655-K685 IonicContact OE1-NZ 3.6Å; E655-K685 PolarHBondContact OE1-NZ 3.4Å; E655-K685 IonicContact OE2-NZ 3.21Å; E655-K685 PolarHBondContact OE2-NZ 3.34Å; I681-K685 HydrophobicContact CG2-CD 4.11Å; I681-K685 HydrophobicContact CG2-CG 4.48Å; I681-K685 WeakPolarHBondContact O-CG 3.3Å; I681-K685 PolarHBondContact O-N 3.01Å; Y682-K685 CarbonylContact O-C 3.57Å; Y682-K685 PolarHBondContact O-N 3.37Å; F683-K685 PolarHBondContact O-N 3.08Å; K685-K687 VanDerWaalsContact C-N 3.33Å; K685-K687 HydrophobicContact CB-CG 4Å; K685-K687 PolarHBondContact O-N 3.4Å |
| 686 | G | 90.4 | Very high | 94.9 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 42% | 0.423 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 29.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y682 F683 R684 F688 | Y682-G686 PolarHBondContact O-N 2.89Å; F683-G686 PolarHBondContact O-N 2.9Å; F683-G686 VanDerWaalsContact O-N 3.16Å; R684-G686 VanDerWaalsContact C-N 3.25Å; R684-G686 PolarHBondContact O-N 3.21Å; G686-F688 PolarHBondContact O-N 2.87Å |
| 687 | K | 92.2 | Very high | 94.8 | Very high | 114 Ų | 114 | 39.4 Ų | 39.4 | 50% | 0.496 | 19% | 0.187 | S | C | . | . | trans | -98.3 | 80.1 | -176.8 | -62 | -63.6 | -176.9 | -176.8 | 0 | 112.3 | Y682 K685 L689 L690 M691 | Y682-K687 HydrophobicContact CD1-CB 4.48Å; Y682-K687 PolarHBondContact O-N 3.19Å; K685-K687 VanDerWaalsContact C-N 3.33Å; K685-K687 HydrophobicContact CB-CG 4Å; K685-K687 PolarHBondContact O-N 3.4Å; K687-L689 PolarHBondContact O-N 3.4Å; K687-L690 HydrophobicContact CB-CB 4.16Å; K687-L690 HydrophobicContact CB-CD1 4.03Å; K687-L690 HydrophobicContact CB-CG 4.33Å; K687-L690 HydrophobicContact CG-CD1 4.39Å; K687-L690 PolarHBondContact O-N 3.44Å; K687-L690 VanDerWaalsContact O-N 3.1Å; K687-M691 WeakPolarHBondContact O-CG 3.2Å; K687-M691 PolarHBondContact O-N 2.91Å | ||
| 688 | F | 90.9 | Very high | 94.7 | Very high | 21 Ų | 21 | 39.4 Ų | 39.4 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55 | -43.1 | -173 | -65.2 | -83.3 | 0 | 0 | 0 | 116.2 | G686 L690 M691 L692 F715 V719 H722 L725 L733 | G686-F688 PolarHBondContact O-N 2.87Å; F688-L690 VanDerWaalsContact C-N 3.31Å; F688-L690 PolarHBondContact O-N 3.15Å; F688-M691 HydrophobicContact CB-CE 4.33Å; F688-M691 HydrophobicContact CD1-CE 3.59Å; F688-M691 HydrophobicContact CD1-SD 4.46Å; F688-M691 HydrophobicContact CD2-CE 4.27Å; F688-M691 HydrophobicContact CE1-CE 3.77Å; F688-M691 HydrophobicContact CE2-CE 4.41Å; F688-M691 HydrophobicContact CG-CE 3.84Å; F688-M691 HydrophobicContact CZ-CE 4.15Å; F688-M691 WeakPolarHBondContact O-CB 3.28Å; F688-M691 PolarHBondContact O-N 3.18Å; F688-L692 PolarHBondContact O-N 3.13Å; F688-F715 HydrophobicContact CD1-CE2 4.26Å; F688-V719 HydrophobicContact CD1-CG2 3.91Å; F688-V719 HydrophobicContact CE1-CG2 4.29Å; F688-H722 HydrophobicContact CZ-CB 4.48Å; F688-H722 AromaticContact CZ-CD2 3.35Å; F688-H722 WeakPolarHBondContact CZ-CD2 3.37Å; F688-H722 AromaticContact CZ-NE2 3.88Å; F688-L725 HydrophobicContact CD2-CD2 3.59Å; F688-L725 HydrophobicContact CE2-CD2 3.83Å; F688-L725 HydrophobicContact CG-CD2 4.25Å; F688-L733 HydrophobicContact CB-CD1 4.13Å |
| 689 | L | 92.6 | Very high | 94.6 | Very high | 91 Ų | 91 | 42.9 Ų | 42.9 | 48% | 0.476 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.8 | -34.8 | 178.9 | -67 | 178.6 | 0 | 0 | 0 | 112.4 | K687 L692 Q693 V729 V732 | K687-L689 PolarHBondContact O-N 3.4Å; L689-L692 PolarHBondContact O-N 2.92Å; L689-Q693 WeakPolarHBondContact O-CB 3.42Å; L689-Q693 PolarHBondContact O-N 2.69Å; L689-V729 HydrophobicContact CD1-CG2 4.47Å; L689-V729 HydrophobicContact CD2-CG1 4.07Å; L689-V729 HydrophobicContact CG-CG1 4.21Å; L689-V732 HydrophobicContact CD2-CG1 4.36Å |
| 690 | L | 94.1 | Very high | 94.4 | Very high | 60 Ų | 60 | 47 Ų | 47 | 31% | 0.314 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -74 | -34.5 | 175.7 | -63.3 | 179.1 | 0 | 0 | 0 | 111.4 | Y682 K687 F688 Q693 S694 | Y682-L690 HydrophobicContact CD1-CB 4.06Å; Y682-L690 HydrophobicContact CD1-CD1 3.8Å; Y682-L690 HydrophobicContact CD2-CB 3.5Å; Y682-L690 VanDerWaalsContact CD2-CB 3.5Å; Y682-L690 HydrophobicContact CE1-CB 4.36Å; Y682-L690 HydrophobicContact CE1-CD1 3.61Å; Y682-L690 HydrophobicContact CE2-CB 3.82Å; Y682-L690 HydrophobicContact CE2-CD1 4.33Å; Y682-L690 HydrophobicContact CG-CB 3.64Å; Y682-L690 HydrophobicContact CG-CD1 4.28Å; K687-L690 HydrophobicContact CB-CB 4.16Å; K687-L690 HydrophobicContact CB-CD1 4.03Å; K687-L690 HydrophobicContact CB-CG 4.33Å; K687-L690 HydrophobicContact CG-CD1 4.39Å; K687-L690 PolarHBondContact O-N 3.44Å; K687-L690 VanDerWaalsContact O-N 3.1Å; F688-L690 VanDerWaalsContact C-N 3.31Å; F688-L690 PolarHBondContact O-N 3.15Å; L690-Q693 PolarHBondContact O-N 3.46Å; L690-S694 PolarHBondContact O-N 2.9Å; L690-S694 PolarHBondContact O-OG 3.02Å; L690-S694 VanDerWaalsContact O-OG 3.13Å |
| 691 | M | 94.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -49 | 169.6 | -67.7 | -175.3 | -116.2 | 0 | 0 | 111.3 | F679 F683 K687 F688 Q693 S694 V695 F715 | F679-M691 HydrophobicContact CD2-CB 3.93Å; F679-M691 HydrophobicContact CD2-CG 4.22Å; F679-M691 HydrophobicContact CE2-CB 3.92Å; F679-M691 HydrophobicContact CE2-CG 4.17Å; F679-M691 HydrophobicContact CE2-SD 4.25Å; F683-M691 VanDerWaalsContact CA-SD 3.58Å; F683-M691 HydrophobicContact CB-SD 4.06Å; F683-M691 HydrophobicContact CD2-SD 3.83Å; F683-M691 HydrophobicContact CG-SD 4.42Å; K687-M691 WeakPolarHBondContact O-CG 3.2Å; K687-M691 PolarHBondContact O-N 2.91Å; F688-M691 HydrophobicContact CB-CE 4.33Å; F688-M691 HydrophobicContact CD1-CE 3.59Å; F688-M691 HydrophobicContact CD1-SD 4.46Å; F688-M691 HydrophobicContact CD2-CE 4.27Å; F688-M691 HydrophobicContact CE1-CE 3.77Å; F688-M691 HydrophobicContact CE2-CE 4.41Å; F688-M691 HydrophobicContact CG-CE 3.84Å; F688-M691 HydrophobicContact CZ-CE 4.15Å; F688-M691 WeakPolarHBondContact O-CB 3.28Å; F688-M691 PolarHBondContact O-N 3.18Å; M691-Q693 VanDerWaalsContact C-N 3.33Å; M691-Q693 PolarHBondContact O-N 3.46Å; M691-S694 PolarHBondContact O-N 3.35Å; M691-V695 WeakPolarHBondContact O-CG2 3.45Å; M691-V695 PolarHBondContact O-N 2.82Å; M691-F715 HydrophobicContact CB-CD2 3.75Å; M691-F715 HydrophobicContact CB-CE2 3.54Å; M691-F715 HydrophobicContact CB-CZ 4.45Å; M691-F715 HydrophobicContact CG-CD2 4.47Å; M691-F715 HydrophobicContact CG-CE2 4.45Å; M691-F715 HydrophobicContact SD-CD2 3.84Å; M691-F715 HydrophobicContact SD-CE2 4.08Å |
| 692 | L | 93.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 177 | 179.1 | 63.5 | 0 | 0 | 0 | 111.2 | F688 L689 S694 V695 K696 F715 L733 E736 | F688-L692 PolarHBondContact O-N 3.13Å; L689-L692 PolarHBondContact O-N 2.92Å; L692-S694 PolarHBondContact O-N 3.34Å; L692-V695 PolarHBondContact O-N 3.48Å; L692-K696 HydrophobicContact CD1-CD 4.17Å; L692-K696 HydrophobicContact CD1-CG 4.13Å; L692-K696 HydrophobicContact CG-CD 4.14Å; L692-K696 HydrophobicContact CG-CG 4.43Å; L692-K696 WeakPolarHBondContact O-CB 3.32Å; L692-K696 WeakPolarHBondContact O-CG 3.31Å; L692-K696 PolarHBondContact O-N 3.12Å; L692-F715 HydrophobicContact CB-CE1 4.34Å; L692-F715 HydrophobicContact CB-CZ 3.87Å; L692-F715 HydrophobicContact CD1-CE1 4.02Å; L692-F715 HydrophobicContact CD1-CZ 4.37Å; L692-L733 HydrophobicContact CB-CD2 4.2Å; L692-L733 HydrophobicContact CD2-CD2 3.97Å; L692-E736 HydrophobicContact CD1-CB 4.09Å; L692-E736 HydrophobicContact CD2-CB 3.73Å; L692-E736 HydrophobicContact CD2-CG 4.08Å; L692-E736 HydrophobicContact CG-CB 4.47Å |
| 693 | Q | 94.8 | Very high | 94.1 | Very high | 72 Ų | 72 | 55.3 Ų | 55.3 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 176.5 | -174.6 | -176.4 | 30.6 | 0 | 0 | 111.8 | L689 L690 M691 R697 | L689-Q693 WeakPolarHBondContact O-CB 3.42Å; L689-Q693 PolarHBondContact O-N 2.69Å; L690-Q693 PolarHBondContact O-N 3.46Å; M691-Q693 VanDerWaalsContact C-N 3.33Å; M691-Q693 PolarHBondContact O-N 3.46Å; Q693-R697 WeakPolarHBondContact O-CG 3.46Å; Q693-R697 PolarHBondContact O-N 3.08Å; Q693-R697 VanDerWaalsContact O-N 3.13Å |
| 694 | S | 95.9 | Very high | 94 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.028 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 178.1 | -67.6 | 0 | 0 | 0 | 0 | 112 | H675 A678 L690 M691 L692 K696 R697 A698 | H675-S694 WeakPolarHBondContact CB-O 3.22Å; H675-S694 WeakPolarHBondContact O-CB 3.13Å; A678-S694 WeakPolarHBondContact CB-OG 3.11Å; L690-S694 PolarHBondContact O-N 2.9Å; L690-S694 PolarHBondContact O-OG 3.02Å; L690-S694 VanDerWaalsContact O-OG 3.13Å; M691-S694 PolarHBondContact O-N 3.35Å; L692-S694 PolarHBondContact O-N 3.34Å; S694-K696 PolarHBondContact O-N 3.18Å; S694-R697 PolarHBondContact O-N 2.82Å; S694-A698 WeakPolarHBondContact O-CB 3.32Å; S694-A698 PolarHBondContact O-N 3.4Å |
| 695 | V | 95.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 179.7 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | F679 M691 L692 R697 A698 F699 L708 L712 I740 | F679-V695 HydrophobicContact CD2-CG2 3.48Å; F679-V695 VanDerWaalsContact CD2-CG2 3.48Å; F679-V695 HydrophobicContact CE2-CG2 3.72Å; F679-V695 HydrophobicContact CG-CG2 4.33Å; M691-V695 WeakPolarHBondContact O-CG2 3.45Å; M691-V695 PolarHBondContact O-N 2.82Å; L692-V695 PolarHBondContact O-N 3.48Å; V695-R697 PolarHBondContact O-N 3.16Å; V695-A698 PolarHBondContact O-N 2.95Å; V695-F699 VanDerWaalsContact O-CB 3.23Å; V695-F699 WeakPolarHBondContact O-CB 3.43Å; V695-F699 PolarHBondContact O-N 2.81Å; V695-L708 HydrophobicContact CG1-CD1 4.26Å; V695-L712 HydrophobicContact CG1-CD2 3.26Å; V695-L712 HydrophobicContact CG1-CG 4.11Å; V695-I740 HydrophobicContact CG1-CD1 4.24Å |
| 696 | K | 95.1 | Very high | 94.2 | Very high | 90 Ų | 90 | 50.7 Ų | 50.7 | 39% | 0.391 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 177.4 | -76.6 | -176 | 64.5 | 171 | 0 | 112.4 | L692 S694 F699 A700 E736 I740 | L692-K696 HydrophobicContact CD1-CD 4.17Å; L692-K696 HydrophobicContact CD1-CG 4.13Å; L692-K696 HydrophobicContact CG-CD 4.14Å; L692-K696 HydrophobicContact CG-CG 4.43Å; L692-K696 WeakPolarHBondContact O-CB 3.32Å; L692-K696 WeakPolarHBondContact O-CG 3.31Å; L692-K696 PolarHBondContact O-N 3.12Å; S694-K696 PolarHBondContact O-N 3.18Å; K696-F699 PolarHBondContact O-N 3.33Å; K696-A700 WeakPolarHBondContact O-CB 3.45Å; K696-A700 PolarHBondContact O-N 3.42Å; K696-E736 WeakPolarHBondContact CE-OE2 3.41Å; K696-E736 IonicContact NZ-OE1 3.74Å; K696-E736 IonicContact NZ-OE2 3.32Å; K696-E736 PolarHBondContact NZ-OE2 3.32Å; K696-I740 HydrophobicContact CG-CD1 4.33Å |
| 697 | R | 95.4 | Very high | 94.4 | Very high | 103 Ų | 103 | 51.6 Ų | 51.6 | 39% | 0.389 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 177.5 | -71.8 | 174.8 | 174.8 | -171.1 | -5 | 111.6 | H675 Q693 S694 V695 A700 I701 | H675-R697 HydrophobicContact CB-CB 4.46Å; Q693-R697 WeakPolarHBondContact O-CG 3.46Å; Q693-R697 PolarHBondContact O-N 3.08Å; Q693-R697 VanDerWaalsContact O-N 3.13Å; S694-R697 PolarHBondContact O-N 2.82Å; V695-R697 PolarHBondContact O-N 3.16Å; R697-A700 PolarHBondContact O-N 3.42Å; R697-I701 WeakPolarHBondContact O-CG1 3.25Å; R697-I701 PolarHBondContact O-N 3.32Å |
| 698 | A | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I672 H675 L676 S694 V695 A700 I701 N702 L708 | I672-A698 HydrophobicContact CD1-CB 4.26Å; I672-A698 HydrophobicContact CG1-CB 3.86Å; H675-A698 HydrophobicContact CB-CB 4Å; L676-A698 HydrophobicContact CD2-CB 4.14Å; S694-A698 WeakPolarHBondContact O-CB 3.32Å; S694-A698 PolarHBondContact O-N 3.4Å; V695-A698 PolarHBondContact O-N 2.95Å; A698-A700 VanDerWaalsContact C-N 3.32Å; A698-A700 PolarHBondContact O-N 3.41Å; A698-I701 PolarHBondContact O-N 3.38Å; A698-I701 VanDerWaalsContact O-N 3.12Å; A698-N702 PolarHBondContact O-N 2.88Å; A698-L708 HydrophobicContact CB-CD1 3.65Å; A698-L708 HydrophobicContact CB-CD2 4.23Å; A698-L708 HydrophobicContact CB-CG 4.45Å |
| 699 | F | 94.9 | Very high | 94.8 | Very high | 74 Ų | 74 | 45.4 Ų | 45.4 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.8 | -37 | 178.3 | -172 | -89.6 | 0 | 0 | 0 | 112.6 | V695 K696 I701 S703 L708 L712 I740 | V695-F699 VanDerWaalsContact O-CB 3.23Å; V695-F699 WeakPolarHBondContact O-CB 3.43Å; V695-F699 PolarHBondContact O-N 2.81Å; K696-F699 PolarHBondContact O-N 3.33Å; F699-I701 VanDerWaalsContact C-N 3.27Å; F699-I701 PolarHBondContact O-N 3.45Å; F699-S703 VanDerWaalsContact CE2-CB 3.43Å; F699-S703 PolarHBondContact O-N 3.14Å; F699-L708 HydrophobicContact CB-CD2 4.07Å; F699-L708 HydrophobicContact CD2-CD2 4.26Å; F699-L712 HydrophobicContact CD2-CD1 4.43Å; F699-I740 HydrophobicContact CD2-CG2 4.19Å; F699-I740 HydrophobicContact CE2-CG2 4.01Å |
| 700 | A | 95.1 | Very high | 94.9 | Very high | 86 Ų | 86 | 42.4 Ų | 42.4 | 71% | 0.711 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66.7 | -26.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K696 R697 A698 | K696-A700 WeakPolarHBondContact O-CB 3.45Å; K696-A700 PolarHBondContact O-N 3.42Å; R697-A700 PolarHBondContact O-N 3.42Å; A698-A700 VanDerWaalsContact C-N 3.32Å; A698-A700 PolarHBondContact O-N 3.41Å |
| 701 | I | 95.5 | Very high | 95 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -82.6 | -52.4 | 177.8 | -63.7 | 163.5 | 0 | 0 | 0 | 110.6 | A669 I672 H675 R697 A698 F699 | A669-I701 WeakPolarHBondContact O-CD1 3.23Å; I672-I701 HydrophobicContact CB-CD1 4.5Å; I672-I701 HydrophobicContact CB-CG2 4.17Å; H675-I701 VanDerWaalsContact CD2-CD1 3.5Å; H675-I701 WeakPolarHBondContact CD2-CD1 3.4Å; R697-I701 WeakPolarHBondContact O-CG1 3.25Å; R697-I701 PolarHBondContact O-N 3.32Å; A698-I701 PolarHBondContact O-N 3.38Å; A698-I701 VanDerWaalsContact O-N 3.12Å; F699-I701 VanDerWaalsContact C-N 3.27Å; F699-I701 PolarHBondContact O-N 3.45Å |
| 702 | N | 94.4 | Very high | 95 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | trans | -154.8 | 98.9 | 178.1 | -178.2 | -2.2 | 0 | 0 | 0 | 110 | I672 A698 N704 N705 L708 | I672-N702 HydrophobicContact CD1-CB 4.02Å; A698-N702 PolarHBondContact O-N 2.88Å; N702-N704 PolarHBondContact O-N 3.48Å; N702-N704 PolarHBondContact OD1-N 3.46Å; N702-N705 HydrophobicContact CB-CB 4.41Å; N702-N705 WeakPolarHBondContact O-CB 3.49Å; N702-N705 PolarHBondContact O-N 2.86Å; N702-L708 VanDerWaalsContact O-CD2 3.32Å; N702-L708 WeakPolarHBondContact O-CD2 3.24Å | ||
| 703 | S | 93 | Very high | 95 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 48% | 0.476 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22.6 | 178.9 | 56 | 0 | 0 | 0 | 0 | 113.8 | F699 | F699-S703 VanDerWaalsContact CE2-CB 3.43Å; F699-S703 PolarHBondContact O-N 3.14Å |
| 704 | N | 93.4 | Very high | 94.9 | Very high | 45 Ų | 45 | 37.5 Ų | 37.5 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 19.4 | -176.6 | -157.7 | 13.1 | 0 | 0 | 0 | 113 | N702 F753 N757 H763 | N702-N704 PolarHBondContact O-N 3.48Å; N702-N704 PolarHBondContact OD1-N 3.46Å; N704-F753 WeakPolarHBondContact OD1-CE2 3.44Å; N704-N757 PolarHBondContact ND2-ND2 3.34Å; N704-N757 PolarHBondContact ND2-OD1 3.5Å; N704-N757 PolarHBondContact OD1-ND2 2.89Å; N704-N757 PolarHBondContact OD1-OD1 3.44Å; N704-H763 PolarHBondContact O-CD2 3.31Å; N704-H763 PolarHBondContact O-NE2 3.4Å |
| 705 | N | 95.7 | Very high | 94.7 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | trans | -75.9 | 133.3 | -178.5 | 179.4 | -83.8 | 0 | 0 | 0 | 111.8 | I672 N702 W707 L708 H709 | I672-N705 HydrophobicContact CD1-CB 3.51Å; N702-N705 HydrophobicContact CB-CB 4.41Å; N702-N705 WeakPolarHBondContact O-CB 3.49Å; N702-N705 PolarHBondContact O-N 2.86Å; N705-W707 PolarHBondContact O-N 2.96Å; N705-W707 PolarHBondContact OD1-N 2.86Å; N705-L708 HydrophobicContact CB-CB 3.86Å; N705-L708 WeakPolarHBondContact O-CB 3.4Å; N705-L708 PolarHBondContact O-N 2.88Å; N705-L708 PolarHBondContact OD1-N 3.33Å; N705-H709 PolarHBondContact O-N 3.16Å | ||
| 706 | P | 94.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | -178.2 | -23.7 | 31.1 | 0 | 0 | 0 | 114.5 | H709 E710 Q762 S766 | P706-H709 WeakPolarHBondContact O-CB 3.37Å; P706-H709 PolarHBondContact O-N 3.31Å; P706-E710 PolarHBondContact O-N 2.93Å; P706-Q762 HydrophobicContact CG-CB 4.19Å; P706-S766 VanDerWaalsContact CB-OG 3.24Å; P706-S766 WeakPolarHBondContact CB-OG 3.39Å; P706-S766 WeakPolarHBondContact O-CB 3.35Å; P706-S766 PolarHBondContact O-OG 3.28Å |
| 707 | W | 95.6 | Very high | 94.2 | Very high | 60 Ų | 60 | 37.6 Ų | 37.6 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.1 | -35.8 | -179.2 | -176.7 | 20.1 | 0 | 0 | 0 | 111.5 | L676 L677 E680 N705 H709 E710 C711 | L676-W707 HydrophobicContact CB-CD2 3.81Å; L676-W707 HydrophobicContact CB-CE3 3.68Å; L676-W707 HydrophobicContact CB-CH2 3.82Å; L676-W707 HydrophobicContact CB-CZ2 3.94Å; L676-W707 HydrophobicContact CB-CZ3 3.67Å; L676-W707 HydrophobicContact CD1-CB 3.9Å; L676-W707 HydrophobicContact CD1-CD2 3.6Å; L676-W707 HydrophobicContact CD1-CE3 3.33Å; L676-W707 HydrophobicContact CD1-CG 3.86Å; L676-W707 HydrophobicContact CD1-CZ3 4.07Å; L676-W707 HydrophobicContact CG-CD2 4.24Å; L676-W707 HydrophobicContact CG-CE3 4.13Å; L677-W707 HydrophobicContact CD2-CH2 3.89Å; L677-W707 HydrophobicContact CG-CH2 4.02Å; E680-W707 HydrophobicContact CG-CZ2 3.96Å; E680-W707 PolarHBondContact OE1-NE1 3.31Å; N705-W707 PolarHBondContact O-N 2.96Å; N705-W707 PolarHBondContact OD1-N 2.86Å; W707-H709 VanDerWaalsContact C-N 3.3Å; W707-H709 PolarHBondContact O-N 3.27Å; W707-E710 WeakPolarHBondContact O-CB 3.47Å; W707-E710 PolarHBondContact O-N 3.3Å; W707-C711 PolarHBondContact O-N 3.37Å; W707-C711 PolarHBondContact O-SG 3.42Å |
| 708 | L | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -42.6 | 170.2 | 177.3 | 59.9 | 0 | 0 | 0 | 111.8 | I672 L676 V695 A698 F699 N702 N705 E710 C711 L712 | I672-L708 HydrophobicContact CD1-CB 4.49Å; L676-L708 HydrophobicContact CD2-CB 3.98Å; L676-L708 HydrophobicContact CD2-CD1 4Å; V695-L708 HydrophobicContact CG1-CD1 4.26Å; A698-L708 HydrophobicContact CB-CD1 3.65Å; A698-L708 HydrophobicContact CB-CD2 4.23Å; A698-L708 HydrophobicContact CB-CG 4.45Å; F699-L708 HydrophobicContact CB-CD2 4.07Å; F699-L708 HydrophobicContact CD2-CD2 4.26Å; N702-L708 VanDerWaalsContact O-CD2 3.32Å; N702-L708 WeakPolarHBondContact O-CD2 3.24Å; N705-L708 HydrophobicContact CB-CB 3.86Å; N705-L708 WeakPolarHBondContact O-CB 3.4Å; N705-L708 PolarHBondContact O-N 2.88Å; N705-L708 PolarHBondContact OD1-N 3.33Å; L708-E710 VanDerWaalsContact C-N 3.3Å; L708-E710 PolarHBondContact O-N 2.97Å; L708-C711 CarbonylContact O-C 3.58Å; L708-C711 WeakPolarHBondContact O-CA 3.5Å; L708-C711 WeakPolarHBondContact O-CB 3.41Å; L708-C711 PolarHBondContact O-N 2.9Å; L708-C711 VanDerWaalsContact O-N 3.07Å; L708-L712 HydrophobicContact CD1-CD1 4.45Å; L708-L712 HydrophobicContact CD1-CG 4.2Å; L708-L712 HydrophobicContact CG-CD1 4.03Å; L708-L712 HydrophobicContact CG-CG 4.28Å; L708-L712 WeakPolarHBondContact O-CG 3.41Å; L708-L712 PolarHBondContact O-N 3.25Å |
| 709 | H | 95.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.3 | -43.2 | 177.2 | -175.2 | 68 | 0 | 0 | 0 | 111.7 | N705 P706 W707 C711 L712 I713 F749 N750 F753 | N705-H709 PolarHBondContact O-N 3.16Å; P706-H709 WeakPolarHBondContact O-CB 3.37Å; P706-H709 PolarHBondContact O-N 3.31Å; W707-H709 VanDerWaalsContact C-N 3.3Å; W707-H709 PolarHBondContact O-N 3.27Å; H709-C711 VanDerWaalsContact C-N 3.33Å; H709-C711 PolarHBondContact O-N 3.37Å; H709-L712 PolarHBondContact O-N 3.16Å; H709-I713 WeakPolarHBondContact NE2-CD1 3.46Å; H709-I713 PolarHBondContact O-N 2.86Å; H709-I713 VanDerWaalsContact O-N 3.14Å; H709-F749 AromaticContact CE1-CD1 3.69Å; H709-F749 AromaticContact CE1-CE1 3.51Å; H709-F749 AromaticContact ND1-CE1 3.45Å; H709-F749 WeakPolarHBondContact ND1-CE1 3.47Å; H709-N750 PolarHBondContact NE2-OD1 3.05Å; H709-F753 HydrophobicContact CB-CD2 4.35Å; H709-F753 HydrophobicContact CB-CE1 4.22Å; H709-F753 HydrophobicContact CB-CE2 3.96Å; H709-F753 HydrophobicContact CB-CZ 3.89Å; H709-F753 AromaticContact CD2-CD1 3.43Å; H709-F753 VanDerWaalsContact CD2-CD1 3.43Å; H709-F753 WeakPolarHBondContact CD2-CD1 3.44Å; H709-F753 AromaticContact CD2-CE1 3.61Å; H709-F753 AromaticContact CD2-CG 3.83Å; H709-F753 VanDerWaalsContact CE1-CB 3.47Å; H709-F753 WeakPolarHBondContact CE1-CB 3.49Å; H709-F753 AromaticContact CE1-CD1 3.9Å; H709-F753 AromaticContact CE1-CG 3.56Å; H709-F753 AromaticContact CG-CD1 3.84Å; H709-F753 AromaticContact CG-CD2 3.93Å; H709-F753 AromaticContact CG-CE1 3.9Å; H709-F753 AromaticContact CG-CG 3.84Å; H709-F753 AromaticContact CG-CZ 3.99Å; H709-F753 AromaticContact ND1-CD2 3.81Å; H709-F753 AromaticContact ND1-CG 3.72Å; H709-F753 AromaticContact NE2-CD1 3.47Å; H709-F753 WeakPolarHBondContact NE2-CD1 3.31Å; H709-F753 AromaticContact NE2-CG 3.64Å |
| 710 | E | 95 | Very high | 92.7 | Very high | 29 Ų | 29 | 35.3 Ų | 35.3 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 173.3 | -60.9 | -178.6 | -152.6 | 0 | 0 | 112.5 | P706 W707 L708 R714 S766 M770 | P706-E710 PolarHBondContact O-N 2.93Å; W707-E710 WeakPolarHBondContact O-CB 3.47Å; W707-E710 PolarHBondContact O-N 3.3Å; L708-E710 VanDerWaalsContact C-N 3.3Å; L708-E710 PolarHBondContact O-N 2.97Å; E710-R714 WeakPolarHBondContact O-CB 3.44Å; E710-R714 WeakPolarHBondContact O-CG 3.23Å; E710-R714 PolarHBondContact O-N 3.35Å; E710-R714 VanDerWaalsContact O-N 3.14Å; E710-R714 PolarHBondContact O-NE 3.07Å; E710-S766 WeakPolarHBondContact OE1-CA 3.49Å; E710-S766 WeakPolarHBondContact OE1-CB 3.29Å; E710-S766 PolarHBondContact OE1-OG 3.46Å; E710-M770 HydrophobicContact CB-CE 3.99Å; E710-M770 HydrophobicContact CB-CG 4.31Å; E710-M770 HydrophobicContact CB-SD 4.02Å; E710-M770 HydrophobicContact CG-CE 3.93Å; E710-M770 HydrophobicContact CG-CG 4.03Å; E710-M770 HydrophobicContact CG-SD 4.25Å |
| 711 | C | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 175.9 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | L676 F679 W707 L708 H709 R714 F715 | L676-C711 HydrophobicContact CD2-CB 4.46Å; F679-C711 HydrophobicContact CD1-CB 3.62Å; F679-C711 WeakPolarHBondContact CD1-SG 3.48Å; F679-C711 HydrophobicContact CD2-CB 4.46Å; F679-C711 HydrophobicContact CE1-CB 3.56Å; F679-C711 HydrophobicContact CE2-CB 4.39Å; F679-C711 HydrophobicContact CG-CB 4.08Å; F679-C711 HydrophobicContact CZ-CB 3.96Å; F679-C711 VanDerWaalsContact CZ-O 3.3Å; F679-C711 WeakPolarHBondContact CZ-O 3.44Å; W707-C711 PolarHBondContact O-N 3.37Å; W707-C711 PolarHBondContact O-SG 3.42Å; L708-C711 CarbonylContact O-C 3.58Å; L708-C711 WeakPolarHBondContact O-CA 3.5Å; L708-C711 WeakPolarHBondContact O-CB 3.41Å; L708-C711 PolarHBondContact O-N 2.9Å; L708-C711 VanDerWaalsContact O-N 3.07Å; H709-C711 VanDerWaalsContact C-N 3.33Å; H709-C711 PolarHBondContact O-N 3.37Å; C711-R714 PolarHBondContact SG-NH2 2.94Å; C711-F715 WeakPolarHBondContact O-CB 3.46Å; C711-F715 PolarHBondContact O-N 2.92Å |
| 712 | L | 94.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 179.4 | -78.7 | 169.5 | 0 | 0 | 0 | 111.9 | V695 F699 L708 H709 F715 S716 I740 F741 F749 | V695-L712 HydrophobicContact CG1-CD2 3.26Å; V695-L712 HydrophobicContact CG1-CG 4.11Å; F699-L712 HydrophobicContact CD2-CD1 4.43Å; L708-L712 HydrophobicContact CD1-CD1 4.45Å; L708-L712 HydrophobicContact CD1-CG 4.2Å; L708-L712 HydrophobicContact CG-CD1 4.03Å; L708-L712 HydrophobicContact CG-CG 4.28Å; L708-L712 WeakPolarHBondContact O-CG 3.41Å; L708-L712 PolarHBondContact O-N 3.25Å; H709-L712 PolarHBondContact O-N 3.16Å; L712-F715 PolarHBondContact O-N 3.42Å; L712-S716 PolarHBondContact O-N 2.98Å; L712-I740 HydrophobicContact CD1-CG2 4.37Å; L712-I740 HydrophobicContact CD2-CD1 4.49Å; L712-I740 HydrophobicContact CD2-CG2 3.62Å; L712-F741 HydrophobicContact CB-CE1 4.21Å; L712-F741 HydrophobicContact CB-CZ 3.98Å; L712-F741 HydrophobicContact CD2-CE2 4.48Å; L712-F741 HydrophobicContact CD2-CZ 3.97Å; L712-F741 WeakPolarHBondContact O-CZ 3.43Å; L712-F749 HydrophobicContact CD1-CE1 4.47Å; L712-F749 HydrophobicContact CD1-CZ 4.29Å |
| 713 | I | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.6 | -46 | -179.2 | -69.5 | 178.9 | 0 | 0 | 0 | 110.8 | H709 F715 S716 K717 F749 N750 M770 F773 L774 | H709-I713 WeakPolarHBondContact NE2-CD1 3.46Å; H709-I713 PolarHBondContact O-N 2.86Å; H709-I713 VanDerWaalsContact O-N 3.14Å; I713-F715 VanDerWaalsContact C-N 3.32Å; I713-F715 PolarHBondContact O-N 2.97Å; I713-S716 PolarHBondContact O-N 3.14Å; I713-K717 WeakPolarHBondContact O-CB 3.49Å; I713-K717 PolarHBondContact O-N 3.09Å; I713-F749 HydrophobicContact CD1-CD1 4.49Å; I713-F749 HydrophobicContact CG1-CD1 4.35Å; I713-N750 HydrophobicContact CD1-CB 3.86Å; I713-M770 HydrophobicContact CB-CG 4.21Å; I713-M770 HydrophobicContact CB-SD 3.89Å; I713-M770 HydrophobicContact CD1-CB 3.55Å; I713-M770 HydrophobicContact CD1-CG 3.83Å; I713-M770 HydrophobicContact CG2-CB 4.33Å; I713-M770 HydrophobicContact CG2-CG 4.4Å; I713-M770 HydrophobicContact CG2-SD 3.92Å; I713-F773 HydrophobicContact CG2-CD1 4.18Å; I713-F773 HydrophobicContact CG2-CE1 4.47Å; I713-L774 HydrophobicContact CD1-CD1 4.47Å; I713-L774 HydrophobicContact CG2-CD1 4.06Å; I713-L774 HydrophobicContact CG2-CD2 3.81Å; I713-L774 HydrophobicContact CG2-CG 3.93Å |
| 714 | R | 93.1 | Very high | 88.4 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 175.8 | -75 | -175.5 | -67.3 | 153.5 | -2.2 | 112.4 | E680 F683 E710 C711 S718 M770 F773 | E680-R714 IonicContact OE1-CZ 2.63Å; E680-R714 VanDerWaalsContact OE1-CZ 3.32Å; E680-R714 IonicContact OE1-NH1 2.77Å; E680-R714 PolarHBondContact OE1-NH1 3.37Å; E680-R714 IonicContact OE1-NH2 3.58Å; E680-R714 PolarHBondContact OE1-NH2 3.35Å; E680-R714 IonicContact OE2-CZ 2.87Å; E680-R714 IonicContact OE2-NH1 3.78Å; E680-R714 PolarHBondContact OE2-NH1 2.93Å; E680-R714 IonicContact OE2-NH2 3.37Å; F683-R714 HydrophobicContact CE2-CB 4.38Å; E710-R714 WeakPolarHBondContact O-CB 3.44Å; E710-R714 WeakPolarHBondContact O-CG 3.23Å; E710-R714 PolarHBondContact O-N 3.35Å; E710-R714 VanDerWaalsContact O-N 3.14Å; E710-R714 PolarHBondContact O-NE 3.07Å; C711-R714 PolarHBondContact SG-NH2 2.94Å; R714-S718 VanDerWaalsContact O-CB 3.26Å; R714-S718 WeakPolarHBondContact O-CB 3.4Å; R714-S718 PolarHBondContact O-N 3.46Å; R714-M770 HydrophobicContact CG-SD 4.37Å; R714-F773 HydrophobicContact CG-CE1 4.08Å; R714-F773 HydrophobicContact CG-CE2 4.47Å; R714-F773 HydrophobicContact CG-CZ 4.02Å |
| 715 | F | 91.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -52.3 | 177.5 | -179.6 | -119.9 | 0 | 0 | 0 | 111.2 | F679 F688 M691 L692 C711 L712 I713 K717 S718 V719 L733 M737 | F679-F715 HydrophobicContact CE2-CB 3.75Å; F679-F715 HydrophobicContact CE2-CD2 4.01Å; F679-F715 HydrophobicContact CE2-CG 4.12Å; F679-F715 HydrophobicContact CZ-CB 3.87Å; F688-F715 HydrophobicContact CD1-CE2 4.26Å; M691-F715 HydrophobicContact CB-CD2 3.75Å; M691-F715 HydrophobicContact CB-CE2 3.54Å; M691-F715 HydrophobicContact CB-CZ 4.45Å; M691-F715 HydrophobicContact CG-CD2 4.47Å; M691-F715 HydrophobicContact CG-CE2 4.45Å; M691-F715 HydrophobicContact SD-CD2 3.84Å; M691-F715 HydrophobicContact SD-CE2 4.08Å; L692-F715 HydrophobicContact CB-CE1 4.34Å; L692-F715 HydrophobicContact CB-CZ 3.87Å; L692-F715 HydrophobicContact CD1-CE1 4.02Å; L692-F715 HydrophobicContact CD1-CZ 4.37Å; C711-F715 WeakPolarHBondContact O-CB 3.46Å; C711-F715 PolarHBondContact O-N 2.92Å; L712-F715 PolarHBondContact O-N 3.42Å; I713-F715 VanDerWaalsContact C-N 3.32Å; I713-F715 PolarHBondContact O-N 2.97Å; F715-K717 PolarHBondContact O-N 2.99Å; F715-S718 WeakPolarHBondContact O-CB 3.42Å; F715-S718 PolarHBondContact O-N 3.31Å; F715-V719 HydrophobicContact CD2-CG2 4.27Å; F715-V719 HydrophobicContact CE1-CG2 4.33Å; F715-V719 HydrophobicContact CE2-CG2 3.88Å; F715-V719 HydrophobicContact CZ-CG2 3.93Å; F715-V719 WeakPolarHBondContact O-CG2 3.26Å; F715-V719 PolarHBondContact O-N 3.44Å; F715-L733 HydrophobicContact CZ-CD2 3.8Å; F715-M737 HydrophobicContact CE1-CG 4.09Å; F715-M737 HydrophobicContact CE1-SD 4.02Å |
| 716 | S | 89.8 | Confident | 87.2 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | -179 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | L712 I713 S718 V719 S720 M737 | L712-S716 PolarHBondContact O-N 2.98Å; I713-S716 PolarHBondContact O-N 3.14Å; S716-S718 VanDerWaalsContact C-N 3.33Å; S716-S718 PolarHBondContact O-N 2.77Å; S716-V719 PolarHBondContact O-N 3.02Å; S716-S720 PolarHBondContact O-N 3.4Å; S716-S720 PolarHBondContact O-OG 2.88Å; S716-S720 VanDerWaalsContact O-OG 3.11Å; S716-M737 WeakPolarHBondContact OG-CE 3.29Å |
| 717 | K | 89.2 | Confident | 86.6 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 175.7 | -171.5 | 64.4 | 179.2 | -175.6 | 0 | 112.3 | I713 F715 S720 N721 L746 F773 | I713-K717 WeakPolarHBondContact O-CB 3.49Å; I713-K717 PolarHBondContact O-N 3.09Å; F715-K717 PolarHBondContact O-N 2.99Å; K717-S720 PolarHBondContact O-N 2.81Å; K717-N721 WeakPolarHBondContact O-CB 3.42Å; K717-N721 PolarHBondContact O-N 2.75Å; K717-N721 PolarHBondContact O-ND2 3.43Å; K717-N721 PolarHBondContact O-OD1 3.1Å; K717-L746 HydrophobicContact CB-CD1 4.5Å; K717-F773 HydrophobicContact CB-CE1 4.12Å; K717-F773 HydrophobicContact CG-CE1 4.17Å; K717-F773 HydrophobicContact CG-CZ 4.47Å |
| 718 | S | 86.9 | Confident | 86.3 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | R714 F715 S716 N721 H722 | R714-S718 VanDerWaalsContact O-CB 3.26Å; R714-S718 WeakPolarHBondContact O-CB 3.4Å; R714-S718 PolarHBondContact O-N 3.46Å; F715-S718 WeakPolarHBondContact O-CB 3.42Å; F715-S718 PolarHBondContact O-N 3.31Å; S716-S718 VanDerWaalsContact C-N 3.33Å; S716-S718 PolarHBondContact O-N 2.77Å; S718-N721 PolarHBondContact O-N 2.65Å; S718-H722 PolarHBondContact O-CD2 3.07Å; S718-H722 PolarHBondContact O-N 3.47Å |
| 719 | V | 86 | Confident | 85.8 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | F688 F715 S716 N721 H722 L733 M737 | F688-V719 HydrophobicContact CD1-CG2 3.91Å; F688-V719 HydrophobicContact CE1-CG2 4.29Å; F715-V719 HydrophobicContact CD2-CG2 4.27Å; F715-V719 HydrophobicContact CE1-CG2 4.33Å; F715-V719 HydrophobicContact CE2-CG2 3.88Å; F715-V719 HydrophobicContact CZ-CG2 3.93Å; F715-V719 WeakPolarHBondContact O-CG2 3.26Å; F715-V719 PolarHBondContact O-N 3.44Å; S716-V719 PolarHBondContact O-N 3.02Å; V719-N721 VanDerWaalsContact C-N 3.3Å; V719-N721 PolarHBondContact O-N 3.06Å; V719-H722 PolarHBondContact O-N 3.15Å; V719-L733 HydrophobicContact CG1-CD1 4.23Å; V719-L733 HydrophobicContact CG2-CD1 4.26Å; V719-M737 HydrophobicContact CB-SD 4.24Å; V719-M737 HydrophobicContact CG1-SD 4.05Å; V719-M737 HydrophobicContact CG2-SD 4.14Å |
| 720 | S | 83.3 | Confident | 85.2 | Confident | 89 Ų | 89 | 58.9 Ų | 58.9 | 62% | 0.622 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.5 | -30.2 | 178.7 | -60.6 | 0 | 0 | 0 | 0 | 113.8 | S716 K717 | S716-S720 PolarHBondContact O-N 3.4Å; S716-S720 PolarHBondContact O-OG 2.88Å; S716-S720 VanDerWaalsContact O-OG 3.11Å; K717-S720 PolarHBondContact O-N 2.81Å |
| 721 | N | 81.2 | Confident | 84.8 | Confident | 107 Ų | 107 | 63.2 Ų | 63.2 | 57% | 0.572 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -79.4 | -20.4 | 179.4 | -71.6 | -9.5 | 0 | 0 | 0 | 113.1 | K717 S718 V719 | K717-N721 WeakPolarHBondContact O-CB 3.42Å; K717-N721 PolarHBondContact O-N 2.75Å; K717-N721 PolarHBondContact O-ND2 3.43Å; K717-N721 PolarHBondContact O-OD1 3.1Å; S718-N721 PolarHBondContact O-N 2.65Å; V719-N721 VanDerWaalsContact C-N 3.3Å; V719-N721 PolarHBondContact O-N 3.06Å |
| 722 | H | 76.3 | Confident | 84.6 | Confident | 105 Ų | 105 | 66 Ų | 66 | 49% | 0.486 | 37% | 0.368 | S | S | . | . | trans | -93.9 | 102.5 | -178.9 | -88.9 | -67 | 0 | 0 | 0 | 111.9 | F688 S718 V719 L725 | F688-H722 HydrophobicContact CZ-CB 4.48Å; F688-H722 AromaticContact CZ-CD2 3.35Å; F688-H722 WeakPolarHBondContact CZ-CD2 3.37Å; F688-H722 AromaticContact CZ-NE2 3.88Å; S718-H722 PolarHBondContact O-CD2 3.07Å; S718-H722 PolarHBondContact O-N 3.47Å; V719-H722 PolarHBondContact O-N 3.15Å; H722-L725 HydrophobicContact CB-CD1 4.33Å; H722-L725 HydrophobicContact CB-CG 4.33Å | ||
| 723 | S | 61.6 | Low | 84.2 | Confident | 114 Ų | 114 | 65.9 Ų | 65.9 | 80% | 0.797 | 37% | 0.367 | S | S | * | . | trans | -80 | -9.1 | 179 | 50.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 724 | N | 68.4 | Low | 83.8 | Confident | 149 Ų | 149 | 68.6 Ų | 68.6 | 80% | 0.797 | 39% | 0.386 | S | S | * | . | trans | -114.6 | 37 | -171.9 | -74.5 | -7.3 | 0 | 0 | 0 | 113.9 | ||||
| 725 | L | 79.1 | Confident | 83.5 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 17% | 0.173 | 40% | 0.402 | C | S | . | . | trans | -84.3 | 142.3 | 172.9 | -70 | 168.8 | 0 | 0 | 0 | 110.5 | F688 H722 D727 L733 | F688-L725 HydrophobicContact CD2-CD2 3.59Å; F688-L725 HydrophobicContact CE2-CD2 3.83Å; F688-L725 HydrophobicContact CG-CD2 4.25Å; H722-L725 HydrophobicContact CB-CD1 4.33Å; H722-L725 HydrophobicContact CB-CG 4.33Å; L725-D727 PolarHBondContact O-N 2.82Å; L725-L733 HydrophobicContact CD1-CD1 3.92Å | ||
| 726 | P | 85.4 | Confident | 83.4 | Confident | 82 Ų | 82 | 73 Ų | 73 | 53% | 0.532 | 41% | 0.408 | S | S | . | . | trans | -55.7 | 139 | 173.6 | -23.8 | 32.9 | 0 | 0 | 0 | 111.7 | I728 V729 S730 | P726-I728 VanDerWaalsContact C-N 3.27Å; P726-I728 PolarHBondContact O-N 3.4Å; P726-I728 VanDerWaalsContact O-N 3.14Å; P726-V729 HydrophobicContact CB-CB 4.46Å; P726-V729 HydrophobicContact CB-CG2 4.15Å; P726-V729 HydrophobicContact CG-CG2 4.32Å; P726-V729 WeakPolarHBondContact O-CA 3.41Å; P726-V729 WeakPolarHBondContact O-CB 3.5Å; P726-V729 PolarHBondContact O-N 3.42Å; P726-S730 PolarHBondContact O-N 3.12Å | ||
| 727 | D | 82.1 | Confident | 83.1 | Confident | 142 Ų | 142 | 73.5 Ų | 73.5 | 76% | 0.759 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -52.7 | -42.3 | -172.8 | -64.5 | -30.9 | 0 | 0 | 0 | 113.4 | L725 V729 S730 Q731 | L725-D727 PolarHBondContact O-N 2.82Å; D727-V729 VanDerWaalsContact C-N 3.31Å; D727-V729 PolarHBondContact O-N 2.85Å; D727-S730 PolarHBondContact O-N 2.99Å; D727-Q731 WeakPolarHBondContact O-CB 3.41Å; D727-Q731 PolarHBondContact O-N 3.35Å |
| 728 | I | 87.6 | Confident | 82.9 | Confident | 132 Ų | 132 | 74.8 Ų | 74.8 | 68% | 0.677 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.6 | -42.3 | 177.6 | -60.1 | 170.2 | 0 | 0 | 0 | 110.9 | P726 V732 | P726-I728 VanDerWaalsContact C-N 3.27Å; P726-I728 PolarHBondContact O-N 3.4Å; P726-I728 VanDerWaalsContact O-N 3.14Å; I728-V732 VanDerWaalsContact O-CG2 3.32Å; I728-V732 WeakPolarHBondContact O-CG2 3.34Å; I728-V732 PolarHBondContact O-N 3.31Å; I728-V732 VanDerWaalsContact O-N 3.12Å |
| 729 | V | 86.9 | Confident | 82.9 | Confident | 30 Ų | 30 | 80.6 Ų | 80.6 | 18% | 0.182 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.4 | -43 | 179.3 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | L689 P726 D727 Q731 V732 L733 | L689-V729 HydrophobicContact CD1-CG2 4.47Å; L689-V729 HydrophobicContact CD2-CG1 4.07Å; L689-V729 HydrophobicContact CG-CG1 4.21Å; P726-V729 HydrophobicContact CB-CB 4.46Å; P726-V729 HydrophobicContact CB-CG2 4.15Å; P726-V729 HydrophobicContact CG-CG2 4.32Å; P726-V729 WeakPolarHBondContact O-CA 3.41Å; P726-V729 WeakPolarHBondContact O-CB 3.5Å; P726-V729 PolarHBondContact O-N 3.42Å; D727-V729 VanDerWaalsContact C-N 3.31Å; D727-V729 PolarHBondContact O-N 2.85Å; V729-Q731 VanDerWaalsContact C-N 3.34Å; V729-Q731 PolarHBondContact O-N 3.41Å; V729-V732 PolarHBondContact O-N 3.3Å; V729-L733 HydrophobicContact CG1-CD1 3.87Å; V729-L733 HydrophobicContact CG1-CG 4.2Å; V729-L733 WeakPolarHBondContact O-CB 3.34Å; V729-L733 WeakPolarHBondContact O-CG 3.39Å; V729-L733 PolarHBondContact O-N 3.26Å |
| 730 | S | 83.8 | Confident | 82.7 | Confident | 49 Ų | 49 | 80.5 Ų | 80.5 | 34% | 0.343 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 177 | -172.6 | 0 | 0 | 0 | 0 | 112.5 | P726 D727 L733 S734 | P726-S730 PolarHBondContact O-N 3.12Å; D727-S730 PolarHBondContact O-N 2.99Å; S730-L733 PolarHBondContact O-N 3.06Å; S730-S734 WeakPolarHBondContact O-CB 3.48Å; S730-S734 PolarHBondContact O-N 3.38Å; S730-S734 PolarHBondContact O-OG 2.96Å |
| 731 | Q | 86.6 | Confident | 82.5 | Confident | 120 Ų | 120 | 76.9 Ų | 76.9 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.1 | -47.8 | 176 | -172.4 | 179.2 | 8.6 | 0 | 0 | 111.7 | D727 V729 S734 Q735 | D727-Q731 WeakPolarHBondContact O-CB 3.41Å; D727-Q731 PolarHBondContact O-N 3.35Å; V729-Q731 VanDerWaalsContact C-N 3.34Å; V729-Q731 PolarHBondContact O-N 3.41Å; Q731-S734 PolarHBondContact O-N 3.14Å; Q731-Q735 WeakPolarHBondContact O-CG 3.45Å; Q731-Q735 PolarHBondContact O-N 3.45Å |
| 732 | V | 89.7 | Confident | 82.4 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 35% | 0.352 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 178.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L689 I728 V729 E736 | L689-V732 HydrophobicContact CD2-CG1 4.36Å; I728-V732 VanDerWaalsContact O-CG2 3.32Å; I728-V732 WeakPolarHBondContact O-CG2 3.34Å; I728-V732 PolarHBondContact O-N 3.31Å; I728-V732 VanDerWaalsContact O-N 3.12Å; V729-V732 PolarHBondContact O-N 3.3Å; V732-E736 WeakPolarHBondContact O-CB 3.36Å; V732-E736 WeakPolarHBondContact O-CG 3.29Å; V732-E736 PolarHBondContact O-N 2.93Å |
| 733 | L | 86.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 178.2 | -72.3 | 175.2 | 0 | 0 | 0 | 110.9 | F688 L692 F715 V719 L725 V729 S730 Q735 E736 M737 | F688-L733 HydrophobicContact CB-CD1 4.13Å; L692-L733 HydrophobicContact CB-CD2 4.2Å; L692-L733 HydrophobicContact CD2-CD2 3.97Å; F715-L733 HydrophobicContact CZ-CD2 3.8Å; V719-L733 HydrophobicContact CG1-CD1 4.23Å; V719-L733 HydrophobicContact CG2-CD1 4.26Å; L725-L733 HydrophobicContact CD1-CD1 3.92Å; V729-L733 HydrophobicContact CG1-CD1 3.87Å; V729-L733 HydrophobicContact CG1-CG 4.2Å; V729-L733 WeakPolarHBondContact O-CB 3.34Å; V729-L733 WeakPolarHBondContact O-CG 3.39Å; V729-L733 PolarHBondContact O-N 3.26Å; S730-L733 PolarHBondContact O-N 3.06Å; L733-Q735 PolarHBondContact O-N 3.46Å; L733-E736 PolarHBondContact O-N 2.88Å; L733-M737 WeakPolarHBondContact O-CB 3.23Å; L733-M737 WeakPolarHBondContact O-CG 3.46Å; L733-M737 PolarHBondContact O-N 2.97Å |
| 734 | S | 83.5 | Confident | 82.8 | Confident | 57 Ų | 57 | 77.5 Ų | 77.5 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | -178.9 | -62.1 | 0 | 0 | 0 | 0 | 112 | S730 Q731 E736 M737 Q738 | S730-S734 WeakPolarHBondContact O-CB 3.48Å; S730-S734 PolarHBondContact O-N 3.38Å; S730-S734 PolarHBondContact O-OG 2.96Å; Q731-S734 PolarHBondContact O-N 3.14Å; S734-E736 PolarHBondContact O-N 2.93Å; S734-M737 PolarHBondContact O-N 3.29Å; S734-Q738 VanDerWaalsContact O-CG 3.29Å; S734-Q738 WeakPolarHBondContact O-CG 3.31Å; S734-Q738 PolarHBondContact O-N 3.4Å |
| 735 | Q | 87.8 | Confident | 83.6 | Confident | 100 Ų | 100 | 74.8 Ų | 74.8 | 47% | 0.467 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 179 | -73.5 | 178.5 | -8.5 | 0 | 0 | 112.8 | Q731 L733 | Q731-Q735 WeakPolarHBondContact O-CG 3.45Å; Q731-Q735 PolarHBondContact O-N 3.45Å; L733-Q735 PolarHBondContact O-N 3.46Å |
| 736 | E | 89.3 | Confident | 84 | Confident | 32 Ų | 32 | 74.8 Ų | 74.8 | 15% | 0.15 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -77.2 | -33.8 | -179.4 | -70.5 | -64.5 | 140.9 | 0 | 0 | 112.4 | L692 K696 V732 L733 S734 K739 | L692-E736 HydrophobicContact CD1-CB 4.09Å; L692-E736 HydrophobicContact CD2-CB 3.73Å; L692-E736 HydrophobicContact CD2-CG 4.08Å; L692-E736 HydrophobicContact CG-CB 4.47Å; K696-E736 WeakPolarHBondContact CE-OE2 3.41Å; K696-E736 IonicContact NZ-OE1 3.74Å; K696-E736 IonicContact NZ-OE2 3.32Å; K696-E736 PolarHBondContact NZ-OE2 3.32Å; V732-E736 WeakPolarHBondContact O-CB 3.36Å; V732-E736 WeakPolarHBondContact O-CG 3.29Å; V732-E736 PolarHBondContact O-N 2.93Å; L733-E736 PolarHBondContact O-N 2.88Å; S734-E736 PolarHBondContact O-N 2.93Å; E736-K739 WeakPolarHBondContact O-CB 3.49Å; E736-K739 PolarHBondContact O-N 3.01Å; E736-K739 IonicContact OE1-NZ 2.69Å; E736-K739 PolarHBondContact OE1-NZ 2.96Å; E736-K739 IonicContact OE2-NZ 3.89Å |
| 737 | M | 84.4 | Confident | 84.2 | Confident | 21 Ų | 21 | 75.5 Ų | 75.5 | 10% | 0.103 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | 174.4 | -74.4 | 176 | 64.6 | 0 | 0 | 111.9 | F715 S716 V719 L733 S734 K739 I740 F741 | F715-M737 HydrophobicContact CE1-CG 4.09Å; F715-M737 HydrophobicContact CE1-SD 4.02Å; S716-M737 WeakPolarHBondContact OG-CE 3.29Å; V719-M737 HydrophobicContact CB-SD 4.24Å; V719-M737 HydrophobicContact CG1-SD 4.05Å; V719-M737 HydrophobicContact CG2-SD 4.14Å; L733-M737 WeakPolarHBondContact O-CB 3.23Å; L733-M737 WeakPolarHBondContact O-CG 3.46Å; L733-M737 PolarHBondContact O-N 2.97Å; S734-M737 PolarHBondContact O-N 3.29Å; M737-K739 PolarHBondContact O-N 3.37Å; M737-I740 PolarHBondContact O-N 3.46Å; M737-F741 HydrophobicContact CB-CD2 4.14Å; M737-F741 HydrophobicContact CB-CE2 4.42Å; M737-F741 HydrophobicContact CE-CD2 4.35Å; M737-F741 HydrophobicContact CE-CE2 4Å; M737-F741 HydrophobicContact CG-CE2 4.42Å; M737-F741 WeakPolarHBondContact O-CD2 3.41Å; M737-F741 PolarHBondContact O-N 3.3Å |
| 738 | Q | 85.3 | Confident | 84.5 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 51% | 0.514 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57 | -35.8 | 174.5 | -78.7 | 176.1 | -5.6 | 0 | 0 | 112.5 | S734 I740 V742 | S734-Q738 VanDerWaalsContact O-CG 3.29Å; S734-Q738 WeakPolarHBondContact O-CG 3.31Å; S734-Q738 PolarHBondContact O-N 3.4Å; Q738-I740 PolarHBondContact O-N 3.3Å; Q738-V742 WeakPolarHBondContact O-CA 3.48Å; Q738-V742 PolarHBondContact O-N 3.22Å |
| 739 | K | 86.4 | Confident | 84.7 | Confident | 144 Ų | 144 | 66 Ų | 66 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.6 | -26.5 | 177.4 | -62.4 | 174.5 | -175.2 | 172.3 | 0 | 113 | E736 M737 | E736-K739 WeakPolarHBondContact O-CB 3.49Å; E736-K739 PolarHBondContact O-N 3.01Å; E736-K739 IonicContact OE1-NZ 2.69Å; E736-K739 PolarHBondContact OE1-NZ 2.96Å; E736-K739 IonicContact OE2-NZ 3.89Å; M737-K739 PolarHBondContact O-N 3.37Å |
| 740 | I | 82.3 | Confident | 85 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.087 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -93.8 | -45.4 | -177 | -59.1 | 173.1 | 0 | 0 | 0 | 111.1 | V695 K696 F699 L712 M737 Q738 | V695-I740 HydrophobicContact CG1-CD1 4.24Å; K696-I740 HydrophobicContact CG-CD1 4.33Å; F699-I740 HydrophobicContact CD2-CG2 4.19Å; F699-I740 HydrophobicContact CE2-CG2 4.01Å; L712-I740 HydrophobicContact CD1-CG2 4.37Å; L712-I740 HydrophobicContact CD2-CD1 4.49Å; L712-I740 HydrophobicContact CD2-CG2 3.62Å; M737-I740 PolarHBondContact O-N 3.46Å; Q738-I740 PolarHBondContact O-N 3.3Å |
| 741 | F | 79.1 | Confident | 85.4 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -92.1 | -11 | -175 | -63.6 | -77.8 | 0 | 0 | 0 | 113.9 | L712 M737 N743 K744 L746 F749 | L712-F741 HydrophobicContact CB-CE1 4.21Å; L712-F741 HydrophobicContact CB-CZ 3.98Å; L712-F741 HydrophobicContact CD2-CE2 4.48Å; L712-F741 HydrophobicContact CD2-CZ 3.97Å; L712-F741 WeakPolarHBondContact O-CZ 3.43Å; M737-F741 HydrophobicContact CB-CD2 4.14Å; M737-F741 HydrophobicContact CB-CE2 4.42Å; M737-F741 HydrophobicContact CE-CD2 4.35Å; M737-F741 HydrophobicContact CE-CE2 4Å; M737-F741 HydrophobicContact CG-CE2 4.42Å; M737-F741 WeakPolarHBondContact O-CD2 3.41Å; M737-F741 PolarHBondContact O-N 3.3Å; F741-N743 VanDerWaalsContact C-N 3.27Å; F741-N743 PolarHBondContact O-N 3.48Å; F741-K744 WeakPolarHBondContact O-CB 3.18Å; F741-K744 PolarHBondContact O-N 2.94Å; F741-L746 HydrophobicContact CD1-CD2 4.3Å; F741-L746 HydrophobicContact CE1-CD2 4.02Å; F741-F749 HydrophobicContact CD1-CD1 4.06Å; F741-F749 AromaticContact CD1-CD2 3.95Å; F741-F749 HydrophobicContact CD1-CD2 3.95Å; F741-F749 HydrophobicContact CD1-CE1 4.15Å; F741-F749 HydrophobicContact CD1-CE2 4.04Å; F741-F749 AromaticContact CD1-CG 3.97Å; F741-F749 HydrophobicContact CD1-CG 3.97Å; F741-F749 HydrophobicContact CD1-CZ 4.15Å; F741-F749 HydrophobicContact CE1-CD1 4.02Å; F741-F749 AromaticContact CE1-CE1 3.9Å; F741-F749 HydrophobicContact CE1-CE1 3.9Å; F741-F749 HydrophobicContact CE1-CG 4.4Å; F741-F749 HydrophobicContact CE1-CZ 4.19Å |
| 742 | V | 78.9 | Confident | 85.7 | Confident | 106 Ų | 106 | 62 Ų | 62 | 64% | 0.642 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 45.9 | 176.7 | -161.7 | 0 | 0 | 0 | 0 | 112.4 | Q738 K744 | Q738-V742 WeakPolarHBondContact O-CA 3.48Å; Q738-V742 PolarHBondContact O-N 3.22Å; V742-K744 PolarHBondContact O-N 3.18Å; V742-K744 VanDerWaalsContact O-N 3.09Å |
| 743 | N | 68.4 | Low | 85.9 | Confident | 134 Ų | 134 | 60.1 Ų | 60.1 | 72% | 0.717 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 19.8 | -179.1 | -61.9 | -22.5 | 0 | 0 | 0 | 116 | F741 | F741-N743 VanDerWaalsContact C-N 3.27Å; F741-N743 PolarHBondContact O-N 3.48Å |
| 744 | K | 77.1 | Confident | 86.1 | Confident | 99 Ų | 99 | 60.9 Ų | 60.9 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | trans | -82.7 | 147.7 | 171.4 | -64.3 | -175.1 | 178 | -178.1 | 0 | 111.2 | F741 V742 D752 | F741-K744 WeakPolarHBondContact O-CB 3.18Å; F741-K744 PolarHBondContact O-N 2.94Å; V742-K744 PolarHBondContact O-N 3.18Å; V742-K744 VanDerWaalsContact O-N 3.09Å; K744-D752 IonicContact NZ-OD2 3.24Å; K744-D752 PolarHBondContact NZ-OD2 3.08Å | ||
| 745 | D | 86 | Confident | 86.6 | Confident | 92 Ų | 92 | 64.9 Ų | 64.9 | 49% | 0.492 | 32% | 0.318 | S | S | . | . | trans | -67.2 | 156.3 | 165.1 | 64.1 | -66 | 0 | 0 | 0 | 110.7 | E747 S748 F749 | D745-E747 PolarHBondContact O-N 3.07Å; D745-E747 WeakPolarHBondContact OD2-CB 3.47Å; D745-E747 PolarHBondContact OD2-N 3.5Å; D745-S748 PolarHBondContact O-N 3.31Å; D745-S748 WeakPolarHBondContact OD1-CB 3.46Å; D745-S748 PolarHBondContact OD2-N 2.83Å; D745-F749 WeakPolarHBondContact O-CB 3.33Å; D745-F749 PolarHBondContact O-N 3.37Å | ||
| 746 | L | 87.3 | Confident | 86.8 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 17% | 0.168 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -30 | -175.7 | -68.7 | 176.2 | 0 | 0 | 0 | 113 | K717 F741 N750 L774 | K717-L746 HydrophobicContact CB-CD1 4.5Å; F741-L746 HydrophobicContact CD1-CD2 4.3Å; F741-L746 HydrophobicContact CE1-CD2 4.02Å; L746-N750 WeakPolarHBondContact O-CB 3.32Å; L746-N750 PolarHBondContact O-N 3.37Å; L746-N750 VanDerWaalsContact O-N 3.08Å; L746-L774 HydrophobicContact CB-CD1 4.04Å; L746-L774 HydrophobicContact CB-CD2 4.02Å; L746-L774 HydrophobicContact CD1-CD2 4.05Å |
| 747 | E | 88.9 | Confident | 86.9 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72 | -50.3 | 178.8 | -63.7 | 178.7 | -167.1 | 0 | 0 | 110.5 | D745 F749 N750 E751 L774 | D745-E747 PolarHBondContact O-N 3.07Å; D745-E747 WeakPolarHBondContact OD2-CB 3.47Å; D745-E747 PolarHBondContact OD2-N 3.5Å; E747-F749 VanDerWaalsContact C-N 3.28Å; E747-F749 PolarHBondContact O-N 2.95Å; E747-N750 PolarHBondContact O-N 3.25Å; E747-N750 VanDerWaalsContact O-N 3.17Å; E747-E751 WeakPolarHBondContact O-CG 3.42Å; E747-E751 PolarHBondContact O-N 3.2Å; E747-L774 HydrophobicContact CG-CD1 4.47Å |
| 748 | S | 89.1 | Confident | 87.2 | Confident | 39 Ų | 39 | 67 Ų | 67 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 173.3 | -177.4 | 0 | 0 | 0 | 0 | 112 | D745 N750 E751 D752 | D745-S748 PolarHBondContact O-N 3.31Å; D745-S748 WeakPolarHBondContact OD1-CB 3.46Å; D745-S748 PolarHBondContact OD2-N 2.83Å; S748-N750 VanDerWaalsContact C-N 3.33Å; S748-N750 PolarHBondContact O-N 3.48Å; S748-E751 PolarHBondContact O-N 3.28Å; S748-D752 WeakPolarHBondContact O-CB 3.45Å; S748-D752 VanDerWaalsContact O-CG 3.29Å; S748-D752 PolarHBondContact O-N 3.42Å |
| 749 | F | 90.9 | Very high | 87.5 | Confident | 37 Ų | 37 | 65 Ų | 65 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 177.1 | -176.4 | -99 | 0 | 0 | 0 | 111.8 | H709 L712 I713 F741 D745 E747 F753 | H709-F749 AromaticContact CE1-CD1 3.69Å; H709-F749 AromaticContact CE1-CE1 3.51Å; H709-F749 AromaticContact ND1-CE1 3.45Å; H709-F749 WeakPolarHBondContact ND1-CE1 3.47Å; L712-F749 HydrophobicContact CD1-CE1 4.47Å; L712-F749 HydrophobicContact CD1-CZ 4.29Å; I713-F749 HydrophobicContact CD1-CD1 4.49Å; I713-F749 HydrophobicContact CG1-CD1 4.35Å; F741-F749 HydrophobicContact CD1-CD1 4.06Å; F741-F749 AromaticContact CD1-CD2 3.95Å; F741-F749 HydrophobicContact CD1-CD2 3.95Å; F741-F749 HydrophobicContact CD1-CE1 4.15Å; F741-F749 HydrophobicContact CD1-CE2 4.04Å; F741-F749 AromaticContact CD1-CG 3.97Å; F741-F749 HydrophobicContact CD1-CG 3.97Å; F741-F749 HydrophobicContact CD1-CZ 4.15Å; F741-F749 HydrophobicContact CE1-CD1 4.02Å; F741-F749 AromaticContact CE1-CE1 3.9Å; F741-F749 HydrophobicContact CE1-CE1 3.9Å; F741-F749 HydrophobicContact CE1-CG 4.4Å; F741-F749 HydrophobicContact CE1-CZ 4.19Å; D745-F749 WeakPolarHBondContact O-CB 3.33Å; D745-F749 PolarHBondContact O-N 3.37Å; E747-F749 VanDerWaalsContact C-N 3.28Å; E747-F749 PolarHBondContact O-N 2.95Å; F749-F753 PolarHBondContact O-N 3.15Å |
| 750 | N | 93.8 | Very high | 87.8 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.7 | -39.2 | 176.5 | -169.4 | 47.1 | 0 | 0 | 0 | 112.8 | H709 I713 L746 E747 S748 D752 F753 L754 G767 M771 L774 | H709-N750 PolarHBondContact NE2-OD1 3.05Å; I713-N750 HydrophobicContact CD1-CB 3.86Å; L746-N750 WeakPolarHBondContact O-CB 3.32Å; L746-N750 PolarHBondContact O-N 3.37Å; L746-N750 VanDerWaalsContact O-N 3.08Å; E747-N750 PolarHBondContact O-N 3.25Å; E747-N750 VanDerWaalsContact O-N 3.17Å; S748-N750 VanDerWaalsContact C-N 3.33Å; S748-N750 PolarHBondContact O-N 3.48Å; N750-D752 VanDerWaalsContact C-N 3.34Å; N750-F753 PolarHBondContact O-N 3.18Å; N750-L754 WeakPolarHBondContact O-CG 3.41Å; N750-L754 PolarHBondContact O-N 2.97Å; N750-G767 PolarHBondContact ND2-O 3.35Å; N750-G767 WeakPolarHBondContact OD1-CA 3.24Å; N750-G767 PolarHBondContact OD1-O 2.67Å; N750-M771 PolarHBondContact ND2-N 2.92Å; N750-L774 HydrophobicContact CB-CD1 4.45Å |
| 751 | E | 92.7 | Very high | 88.2 | Confident | 59 Ų | 59 | 58.3 Ų | 58.3 | 28% | 0.276 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 177.2 | -71.7 | -166.7 | 172.8 | 0 | 0 | 112.1 | E747 S748 L754 K755 R778 | E747-E751 WeakPolarHBondContact O-CG 3.42Å; E747-E751 PolarHBondContact O-N 3.2Å; S748-E751 PolarHBondContact O-N 3.28Å; E751-L754 PolarHBondContact O-N 3.46Å; E751-K755 VanDerWaalsContact O-CG 3.28Å; E751-K755 WeakPolarHBondContact O-CG 3.22Å; E751-K755 PolarHBondContact O-N 3.02Å; E751-R778 IonicContact OE1-CZ 3.42Å; E751-R778 IonicContact OE1-NH1 3.02Å; E751-R778 PolarHBondContact OE1-NH1 3Å; E751-R778 IonicContact OE1-NH2 2.83Å; E751-R778 PolarHBondContact OE1-NH2 3.22Å |
| 752 | D | 91.9 | Very high | 88.8 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 175 | -73.6 | -16.6 | 0 | 0 | 0 | 112.1 | K744 S748 N750 K755 H756 | K744-D752 IonicContact NZ-OD2 3.24Å; K744-D752 PolarHBondContact NZ-OD2 3.08Å; S748-D752 WeakPolarHBondContact O-CB 3.45Å; S748-D752 VanDerWaalsContact O-CG 3.29Å; S748-D752 PolarHBondContact O-N 3.42Å; N750-D752 VanDerWaalsContact C-N 3.34Å; D752-K755 PolarHBondContact O-N 3.02Å; D752-H756 WeakPolarHBondContact O-CB 3.45Å; D752-H756 PolarHBondContact O-N 3.1Å |
| 753 | F | 93.2 | Very high | 89.6 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 173.7 | 178 | -100 | 0 | 0 | 0 | 111.7 | N704 H709 F749 N750 K755 H756 N757 H763 | N704-F753 WeakPolarHBondContact OD1-CE2 3.44Å; H709-F753 HydrophobicContact CB-CD2 4.35Å; H709-F753 HydrophobicContact CB-CE1 4.22Å; H709-F753 HydrophobicContact CB-CE2 3.96Å; H709-F753 HydrophobicContact CB-CZ 3.89Å; H709-F753 AromaticContact CD2-CD1 3.43Å; H709-F753 VanDerWaalsContact CD2-CD1 3.43Å; H709-F753 WeakPolarHBondContact CD2-CD1 3.44Å; H709-F753 AromaticContact CD2-CE1 3.61Å; H709-F753 AromaticContact CD2-CG 3.83Å; H709-F753 VanDerWaalsContact CE1-CB 3.47Å; H709-F753 WeakPolarHBondContact CE1-CB 3.49Å; H709-F753 AromaticContact CE1-CD1 3.9Å; H709-F753 AromaticContact CE1-CG 3.56Å; H709-F753 AromaticContact CG-CD1 3.84Å; H709-F753 AromaticContact CG-CD2 3.93Å; H709-F753 AromaticContact CG-CE1 3.9Å; H709-F753 AromaticContact CG-CG 3.84Å; H709-F753 AromaticContact CG-CZ 3.99Å; H709-F753 AromaticContact ND1-CD2 3.81Å; H709-F753 AromaticContact ND1-CG 3.72Å; H709-F753 AromaticContact NE2-CD1 3.47Å; H709-F753 WeakPolarHBondContact NE2-CD1 3.31Å; H709-F753 AromaticContact NE2-CG 3.64Å; F749-F753 PolarHBondContact O-N 3.15Å; N750-F753 PolarHBondContact O-N 3.18Å; F753-K755 PolarHBondContact O-N 3.12Å; F753-H756 PolarHBondContact O-N 3.09Å; F753-N757 WeakPolarHBondContact O-CB 3.4Å; F753-N757 PolarHBondContact O-N 2.63Å; F753-N757 PolarHBondContact O-OD1 3.37Å; F753-H763 HydrophobicContact CE1-CB 4.04Å; F753-H763 WeakPolarHBondContact CE1-O 3.31Å; F753-H763 AromaticContact CE2-CD2 3.93Å; F753-H763 HydrophobicContact CZ-CB 3.95Å; F753-H763 AromaticContact CZ-CD2 3.56Å |
| 754 | L | 93 | Very high | 90.8 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 176.9 | -75.2 | 170.3 | 0 | 0 | 0 | 112.8 | N750 E751 A758 L764 M771 I785 | N750-L754 WeakPolarHBondContact O-CG 3.41Å; N750-L754 PolarHBondContact O-N 2.97Å; E751-L754 PolarHBondContact O-N 3.46Å; L754-A758 WeakPolarHBondContact O-CA 3.21Å; L754-A758 PolarHBondContact O-N 3.24Å; L754-A758 VanDerWaalsContact O-N 3.13Å; L754-L764 HydrophobicContact CD2-CD2 3.88Å; L754-M771 HydrophobicContact CD1-CE 3.47Å; L754-M771 VanDerWaalsContact CD1-CE 3.47Å; L754-I785 HydrophobicContact CD1-CD1 4.39Å; L754-I785 HydrophobicContact CD2-CG2 3.98Å |
| 755 | K | 92.7 | Very high | 91.6 | Very high | 140 Ų | 140 | 47.2 Ų | 47.2 | 61% | 0.609 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.4 | -46.2 | 177 | -73.9 | 169.5 | -171.2 | 165.4 | 0 | 111.5 | E751 D752 F753 N757 | E751-K755 VanDerWaalsContact O-CG 3.28Å; E751-K755 WeakPolarHBondContact O-CG 3.22Å; E751-K755 PolarHBondContact O-N 3.02Å; D752-K755 PolarHBondContact O-N 3.02Å; F753-K755 PolarHBondContact O-N 3.12Å; K755-N757 VanDerWaalsContact C-N 3.28Å; K755-N757 PolarHBondContact O-N 3.18Å |
| 756 | H | 92.8 | Very high | 92 | Very high | 150 Ų | 150 | 43.2 Ų | 43.2 | 69% | 0.694 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.6 | -33.3 | -178.7 | -169.3 | 68.9 | 0 | 0 | 0 | 112.1 | D752 F753 | D752-H756 WeakPolarHBondContact O-CB 3.45Å; D752-H756 PolarHBondContact O-N 3.1Å; F753-H756 PolarHBondContact O-N 3.09Å |
| 757 | N | 91.7 | Very high | 92.3 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 27.5 | -175.7 | -65.1 | 75.9 | 0 | 0 | 0 | 113.4 | N704 F753 K755 T759 S760 H763 | N704-N757 PolarHBondContact ND2-ND2 3.34Å; N704-N757 PolarHBondContact ND2-OD1 3.5Å; N704-N757 PolarHBondContact OD1-ND2 2.89Å; N704-N757 PolarHBondContact OD1-OD1 3.44Å; F753-N757 WeakPolarHBondContact O-CB 3.4Å; F753-N757 PolarHBondContact O-N 2.63Å; F753-N757 PolarHBondContact O-OD1 3.37Å; K755-N757 VanDerWaalsContact C-N 3.28Å; K755-N757 PolarHBondContact O-N 3.18Å; N757-T759 PolarHBondContact O-N 3.18Å; N757-S760 PolarHBondContact O-N 2.83Å; N757-H763 HydrophobicContact CB-CB 3.44Å; N757-H763 VanDerWaalsContact CB-CB 3.44Å; N757-H763 PolarHBondContact ND2-CD2 3.37Å; N757-H763 PolarHBondContact ND2-NE2 3.09Å |
| 758 | A | 90.3 | Very high | 92.6 | Very high | 33 Ų | 33 | 37.1 Ų | 37.1 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L754 R788 | L754-A758 WeakPolarHBondContact O-CA 3.21Å; L754-A758 PolarHBondContact O-N 3.24Å; L754-A758 VanDerWaalsContact O-N 3.13Å; A758-R788 PolarHBondContact O-NH2 3.1Å |
| 759 | T | 90.6 | Very high | 92.8 | Very high | 68 Ų | 68 | 36.8 Ų | 36.8 | 42% | 0.417 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -0.1 | -179.1 | 64.3 | 0 | 0 | 0 | 0 | 114 | N757 K794 | N757-T759 PolarHBondContact O-N 3.18Å; T759-K794 WeakPolarHBondContact O-CA 3.46Å; T759-K794 PolarHBondContact O-N 3.38Å |
| 760 | S | 92.6 | Very high | 93 | Very high | 20 Ų | 20 | 35.5 Ų | 35.5 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -117 | 121.8 | -177.5 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | N757 Q762 H763 L764 D795 | N757-S760 PolarHBondContact O-N 2.83Å; S760-Q762 VanDerWaalsContact C-N 3.32Å; S760-Q762 PolarHBondContact O-N 3.33Å; S760-H763 WeakPolarHBondContact CB-ND1 3.4Å; S760-H763 PolarHBondContact O-N 2.88Å; S760-H763 VanDerWaalsContact O-N 3.15Å; S760-H763 PolarHBondContact OG-ND1 3.42Å; S760-L764 WeakPolarHBondContact O-CG 3.33Å; S760-L764 PolarHBondContact O-N 2.96Å; S760-D795 VanDerWaalsContact CA-OD1 3.29Å; S760-D795 WeakPolarHBondContact CA-OD1 3.41Å; S760-D795 PolarHBondContact OG-OD1 2.81Å; S760-D795 VanDerWaalsContact OG-OD1 3.04Å |
| 761 | L | 91.4 | Very high | 93 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.5 | -38.4 | -175 | -172.6 | 59.8 | 0 | 0 | 0 | 112.4 | H763 L764 L765 L789 I793 D795 L801 V804 | L761-H763 VanDerWaalsContact C-N 3.34Å; L761-H763 PolarHBondContact O-N 3.45Å; L761-L764 PolarHBondContact O-N 3.38Å; L761-L765 WeakPolarHBondContact O-CB 3.46Å; L761-L765 PolarHBondContact O-N 3.48Å; L761-L789 HydrophobicContact CD2-CD2 4.45Å; L761-I793 HydrophobicContact CB-CG2 3.83Å; L761-D795 PolarHBondContact N-OD1 3.47Å; L761-D795 VanDerWaalsContact N-OD1 3.09Å; L761-L801 HydrophobicContact CD2-CD2 3.84Å; L761-V804 HydrophobicContact CD1-CG2 4.38Å; L761-V804 HydrophobicContact CD2-CG2 4.21Å; L761-V804 HydrophobicContact CG-CG2 4.17Å |
| 762 | Q | 92.4 | Very high | 93 | Very high | 73 Ų | 73 | 34.8 Ų | 34.8 | 34% | 0.341 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63 | -39.4 | 177.1 | -67.9 | -178.3 | 18 | 0 | 0 | 113 | P706 S760 L765 S766 T800 | P706-Q762 HydrophobicContact CG-CB 4.19Å; S760-Q762 VanDerWaalsContact C-N 3.32Å; S760-Q762 PolarHBondContact O-N 3.33Å; Q762-L765 PolarHBondContact O-N 3.17Å; Q762-S766 PolarHBondContact O-N 2.98Å; Q762-S766 VanDerWaalsContact O-N 3.15Å; Q762-T800 HydrophobicContact CG-CG2 3.52Å |
| 763 | H | 94.3 | Very high | 93.1 | Very high | 30 Ų | 30 | 37 Ų | 37 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.4 | -41.2 | 178.8 | -62.7 | 76.8 | 0 | 0 | 0 | 110.5 | N704 F753 N757 S760 L761 L765 S766 G767 | N704-H763 PolarHBondContact O-CD2 3.31Å; N704-H763 PolarHBondContact O-NE2 3.4Å; F753-H763 HydrophobicContact CE1-CB 4.04Å; F753-H763 WeakPolarHBondContact CE1-O 3.31Å; F753-H763 AromaticContact CE2-CD2 3.93Å; F753-H763 HydrophobicContact CZ-CB 3.95Å; F753-H763 AromaticContact CZ-CD2 3.56Å; N757-H763 HydrophobicContact CB-CB 3.44Å; N757-H763 VanDerWaalsContact CB-CB 3.44Å; N757-H763 PolarHBondContact ND2-CD2 3.37Å; N757-H763 PolarHBondContact ND2-NE2 3.09Å; S760-H763 WeakPolarHBondContact CB-ND1 3.4Å; S760-H763 PolarHBondContact O-N 2.88Å; S760-H763 VanDerWaalsContact O-N 3.15Å; S760-H763 PolarHBondContact OG-ND1 3.42Å; L761-H763 VanDerWaalsContact C-N 3.34Å; L761-H763 PolarHBondContact O-N 3.45Å; H763-L765 VanDerWaalsContact C-N 3.3Å; H763-L765 PolarHBondContact O-N 3.41Å; H763-S766 PolarHBondContact O-N 2.82Å; H763-G767 PolarHBondContact O-N 3.32Å |
| 764 | L | 93.7 | Very high | 93 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -42.8 | 173.4 | -68 | -176.7 | 0 | 0 | 0 | 111.6 | L754 S760 L761 A768 I785 I793 | L754-L764 HydrophobicContact CD2-CD2 3.88Å; S760-L764 WeakPolarHBondContact O-CG 3.33Å; S760-L764 PolarHBondContact O-N 2.96Å; L761-L764 PolarHBondContact O-N 3.38Å; L764-A768 WeakPolarHBondContact O-CB 2.96Å; L764-A768 PolarHBondContact O-N 3.44Å; L764-I785 HydrophobicContact CB-CG2 4.05Å; L764-I785 HydrophobicContact CD2-CG2 3.93Å; L764-I785 HydrophobicContact CG-CG2 4.45Å; L764-I793 HydrophobicContact CD1-CD1 3.45Å; L764-I793 VanDerWaalsContact CD1-CD1 3.45Å |
| 765 | L | 93.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -52.4 | 176.5 | 178.6 | 61.9 | 0 | 0 | 0 | 111.8 | L761 Q762 H763 A768 K769 A786 K803 V804 A807 F813 | L761-L765 WeakPolarHBondContact O-CB 3.46Å; L761-L765 PolarHBondContact O-N 3.48Å; Q762-L765 PolarHBondContact O-N 3.17Å; H763-L765 VanDerWaalsContact C-N 3.3Å; H763-L765 PolarHBondContact O-N 3.41Å; L765-A768 PolarHBondContact O-N 3.26Å; L765-K769 HydrophobicContact CD1-CG 4.5Å; L765-K769 WeakPolarHBondContact O-CG 3.41Å; L765-K769 PolarHBondContact O-N 3.25Å; L765-A786 HydrophobicContact CD1-CB 4.08Å; L765-K803 HydrophobicContact CD2-CB 4.3Å; L765-V804 HydrophobicContact CD1-CG2 4.25Å; L765-V804 HydrophobicContact CD2-CG2 4.04Å; L765-A807 HydrophobicContact CD1-CB 3.84Å; L765-F813 HydrophobicContact CD1-CE2 3.99Å; L765-F813 HydrophobicContact CD1-CZ 4.12Å |
| 766 | S | 94.4 | Very high | 92.8 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | -179.7 | -70 | 0 | 0 | 0 | 0 | 112.5 | P706 E710 Q762 H763 A768 K769 M770 | P706-S766 VanDerWaalsContact CB-OG 3.24Å; P706-S766 WeakPolarHBondContact CB-OG 3.39Å; P706-S766 WeakPolarHBondContact O-CB 3.35Å; P706-S766 PolarHBondContact O-OG 3.28Å; E710-S766 WeakPolarHBondContact OE1-CA 3.49Å; E710-S766 WeakPolarHBondContact OE1-CB 3.29Å; E710-S766 PolarHBondContact OE1-OG 3.46Å; Q762-S766 PolarHBondContact O-N 2.98Å; Q762-S766 VanDerWaalsContact O-N 3.15Å; H763-S766 PolarHBondContact O-N 2.82Å; S766-A768 VanDerWaalsContact C-N 3.35Å; S766-A768 PolarHBondContact O-N 3.48Å; S766-K769 PolarHBondContact O-N 3.26Å; S766-M770 WeakPolarHBondContact O-CG 3.14Å; S766-M770 PolarHBondContact O-N 3.38Å |
| 767 | G | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N750 H763 M770 M771 | N750-G767 PolarHBondContact ND2-O 3.35Å; N750-G767 WeakPolarHBondContact OD1-CA 3.24Å; N750-G767 PolarHBondContact OD1-O 2.67Å; H763-G767 PolarHBondContact O-N 3.32Å; G767-M770 PolarHBondContact O-N 2.97Å; G767-M771 WeakPolarHBondContact O-CB 3.44Å; G767-M771 PolarHBondContact O-N 3.39Å |
| 768 | A | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.1 | -45.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L764 L765 S766 M770 M771 Y772 A782 I785 A786 F813 | L764-A768 WeakPolarHBondContact O-CB 2.96Å; L764-A768 PolarHBondContact O-N 3.44Å; L765-A768 PolarHBondContact O-N 3.26Å; S766-A768 VanDerWaalsContact C-N 3.35Å; S766-A768 PolarHBondContact O-N 3.48Å; A768-M770 VanDerWaalsContact C-N 3.26Å; A768-M770 PolarHBondContact O-N 3.16Å; A768-M771 WeakPolarHBondContact O-CB 3.45Å; A768-M771 PolarHBondContact O-N 2.91Å; A768-M771 VanDerWaalsContact O-N 3.11Å; A768-Y772 PolarHBondContact O-N 3.24Å; A768-Y772 VanDerWaalsContact O-N 3.09Å; A768-A782 HydrophobicContact CB-CB 4.32Å; A768-A782 VanDerWaalsContact CB-O 3.25Å; A768-A782 WeakPolarHBondContact CB-O 3.49Å; A768-I785 HydrophobicContact CB-CB 4.4Å; A768-I785 HydrophobicContact CB-CG2 4.28Å; A768-A786 HydrophobicContact CB-CB 3.85Å; A768-F813 HydrophobicContact CB-CE1 3.84Å; A768-F813 HydrophobicContact CB-CZ 3.88Å |
| 769 | K | 94.2 | Very high | 92.7 | Very high | 33 Ų | 33 | 40.9 Ų | 40.9 | 14% | 0.143 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.8 | -46 | 174.2 | -74.8 | -175.1 | 176 | -153.2 | 0 | 110.9 | L765 S766 Y772 F773 A807 S812 F813 | L765-K769 HydrophobicContact CD1-CG 4.5Å; L765-K769 WeakPolarHBondContact O-CG 3.41Å; L765-K769 PolarHBondContact O-N 3.25Å; S766-K769 PolarHBondContact O-N 3.26Å; K769-Y772 PolarHBondContact O-N 3.27Å; K769-F773 WeakPolarHBondContact O-CB 3.42Å; K769-F773 PolarHBondContact O-N 3.24Å; K769-A807 VanDerWaalsContact CE-CB 3.45Å; K769-S812 PolarHBondContact NZ-OG 3.05Å; K769-F813 HydrophobicContact CG-CE1 4.36Å; K769-F813 HydrophobicContact CG-CE2 4.14Å; K769-F813 HydrophobicContact CG-CZ 3.76Å |
| 770 | M | 95 | Very high | 92.7 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.2 | -29.7 | 179.4 | -65.3 | -57.7 | 99.1 | 0 | 0 | 113 | E710 I713 R714 S766 G767 A768 F773 L774 | E710-M770 HydrophobicContact CB-CE 3.99Å; E710-M770 HydrophobicContact CB-CG 4.31Å; E710-M770 HydrophobicContact CB-SD 4.02Å; E710-M770 HydrophobicContact CG-CE 3.93Å; E710-M770 HydrophobicContact CG-CG 4.03Å; E710-M770 HydrophobicContact CG-SD 4.25Å; I713-M770 HydrophobicContact CB-CG 4.21Å; I713-M770 HydrophobicContact CB-SD 3.89Å; I713-M770 HydrophobicContact CD1-CB 3.55Å; I713-M770 HydrophobicContact CD1-CG 3.83Å; I713-M770 HydrophobicContact CG2-CB 4.33Å; I713-M770 HydrophobicContact CG2-CG 4.4Å; I713-M770 HydrophobicContact CG2-SD 3.92Å; R714-M770 HydrophobicContact CG-SD 4.37Å; S766-M770 WeakPolarHBondContact O-CG 3.14Å; S766-M770 PolarHBondContact O-N 3.38Å; G767-M770 PolarHBondContact O-N 2.97Å; A768-M770 VanDerWaalsContact C-N 3.26Å; A768-M770 PolarHBondContact O-N 3.16Å; M770-F773 HydrophobicContact CE-CB 4.22Å; M770-F773 PolarHBondContact O-N 2.97Å; M770-F773 HydrophobicContact SD-CD1 4.37Å; M770-L774 WeakPolarHBondContact O-CB 3.43Å; M770-L774 VanDerWaalsContact O-CG 3.28Å; M770-L774 WeakPolarHBondContact O-CG 3.17Å; M770-L774 PolarHBondContact O-N 3.28Å |
| 771 | M | 93.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -48.4 | 172.7 | -174.4 | 178.5 | -64.5 | 0 | 0 | 111 | N750 L754 G767 A768 L774 D775 R778 K781 A782 I785 | N750-M771 PolarHBondContact ND2-N 2.92Å; L754-M771 HydrophobicContact CD1-CE 3.47Å; L754-M771 VanDerWaalsContact CD1-CE 3.47Å; G767-M771 WeakPolarHBondContact O-CB 3.44Å; G767-M771 PolarHBondContact O-N 3.39Å; A768-M771 WeakPolarHBondContact O-CB 3.45Å; A768-M771 PolarHBondContact O-N 2.91Å; A768-M771 VanDerWaalsContact O-N 3.11Å; M771-L774 PolarHBondContact O-N 3.44Å; M771-D775 PolarHBondContact O-N 2.99Å; M771-R778 HydrophobicContact CG-CB 4.08Å; M771-R778 HydrophobicContact SD-CB 4.29Å; M771-K781 HydrophobicContact SD-CB 4.46Å; M771-K781 HydrophobicContact SD-CD 4.16Å; M771-K781 HydrophobicContact SD-CG 4.15Å; M771-A782 HydrophobicContact CB-CB 4.29Å; M771-A782 HydrophobicContact CG-CB 4.44Å; M771-A782 HydrophobicContact SD-CB 4.31Å; M771-I785 HydrophobicContact CE-CD1 3.71Å; M771-I785 HydrophobicContact SD-CD1 4.22Å |
| 772 | Y | 93.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 15% | 0.153 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.2 | -36.7 | 176.5 | 178.9 | -106.9 | 0 | 0 | 0 | 112.7 | A768 K769 L774 D775 K776 Q779 S812 F813 | A768-Y772 PolarHBondContact O-N 3.24Å; A768-Y772 VanDerWaalsContact O-N 3.09Å; K769-Y772 PolarHBondContact O-N 3.27Å; Y772-L774 VanDerWaalsContact C-N 3.34Å; Y772-L774 PolarHBondContact O-N 3.45Å; Y772-D775 CarbonylContact O-C 3.58Å; Y772-K776 HydrophobicContact CE2-CB 4.14Å; Y772-K776 HydrophobicContact CE2-CG 4.31Å; Y772-K776 PolarHBondContact O-N 2.76Å; Y772-Q779 HydrophobicContact CD2-CB 3.74Å; Y772-Q779 HydrophobicContact CD2-CG 3.87Å; Y772-Q779 HydrophobicContact CE2-CB 3.74Å; Y772-Q779 HydrophobicContact CE2-CG 3.7Å; Y772-S812 WeakPolarHBondContact CD1-O 3.32Å; Y772-F813 VanDerWaalsContact CE1-C 3.45Å; Y772-F813 HydrophobicContact CG-CD1 4.5Å |
| 773 | F | 92.3 | Very high | 92.5 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 43% | 0.43 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.8 | -38.8 | 176.6 | 177.1 | -99.9 | 0 | 0 | 0 | 112.7 | I713 R714 K717 K769 M770 | I713-F773 HydrophobicContact CG2-CD1 4.18Å; I713-F773 HydrophobicContact CG2-CE1 4.47Å; R714-F773 HydrophobicContact CG-CE1 4.08Å; R714-F773 HydrophobicContact CG-CE2 4.47Å; R714-F773 HydrophobicContact CG-CZ 4.02Å; K717-F773 HydrophobicContact CB-CE1 4.12Å; K717-F773 HydrophobicContact CG-CE1 4.17Å; K717-F773 HydrophobicContact CG-CZ 4.47Å; K769-F773 WeakPolarHBondContact O-CB 3.42Å; K769-F773 PolarHBondContact O-N 3.24Å; M770-F773 HydrophobicContact CE-CB 4.22Å; M770-F773 PolarHBondContact O-N 2.97Å; M770-F773 HydrophobicContact SD-CD1 4.37Å |
| 774 | L | 91.5 | Very high | 92.4 | Very high | 39 Ų | 39 | 49 Ų | 49 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.1 | -44.3 | 177.5 | -70.6 | 172.6 | 0 | 0 | 0 | 112.1 | I713 L746 E747 N750 M770 M771 Y772 | I713-L774 HydrophobicContact CD1-CD1 4.47Å; I713-L774 HydrophobicContact CG2-CD1 4.06Å; I713-L774 HydrophobicContact CG2-CD2 3.81Å; I713-L774 HydrophobicContact CG2-CG 3.93Å; L746-L774 HydrophobicContact CB-CD1 4.04Å; L746-L774 HydrophobicContact CB-CD2 4.02Å; L746-L774 HydrophobicContact CD1-CD2 4.05Å; E747-L774 HydrophobicContact CG-CD1 4.47Å; N750-L774 HydrophobicContact CB-CD1 4.45Å; M770-L774 WeakPolarHBondContact O-CB 3.43Å; M770-L774 VanDerWaalsContact O-CG 3.28Å; M770-L774 WeakPolarHBondContact O-CG 3.17Å; M770-L774 PolarHBondContact O-N 3.28Å; M771-L774 PolarHBondContact O-N 3.44Å; Y772-L774 VanDerWaalsContact C-N 3.34Å; Y772-L774 PolarHBondContact O-N 3.45Å |
| 775 | D | 91 | Very high | 92.3 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | trans | -138.6 | 108.1 | -179.9 | -178.3 | 2.3 | 0 | 0 | 0 | 111.6 | M771 Y772 S777 R778 | M771-D775 PolarHBondContact O-N 2.99Å; Y772-D775 CarbonylContact O-C 3.58Å; D775-S777 PolarHBondContact O-N 3.49Å; D775-S777 VanDerWaalsContact OD1-CB 3.3Å; D775-S777 WeakPolarHBondContact OD1-CB 3.37Å; D775-S777 PolarHBondContact OD1-N 3.16Å; D775-S777 PolarHBondContact OD1-OG 2.84Å; D775-S777 PolarHBondContact OD2-OG 3.46Å; D775-R778 HydrophobicContact CB-CG 4.23Å; D775-R778 PolarHBondContact O-N 3.25Å; D775-R778 WeakPolarHBondContact OD2-CG 3.39Å | ||
| 776 | K | 90.6 | Very high | 92.1 | Very high | 154 Ų | 154 | 49.8 Ų | 49.8 | 67% | 0.67 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -64.6 | -22.6 | 179.7 | -65.7 | -175.6 | 178.6 | -177.3 | 0 | 113.2 | Y772 R778 | Y772-K776 HydrophobicContact CE2-CB 4.14Å; Y772-K776 HydrophobicContact CE2-CG 4.31Å; Y772-K776 PolarHBondContact O-N 2.76Å; K776-R778 PolarHBondContact O-N 2.83Å |
| 777 | S | 91.5 | Very high | 91.9 | Very high | 99 Ų | 99 | 51 Ų | 51 | 69% | 0.692 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -70.6 | -21.1 | 178.8 | 76.5 | 0 | 0 | 0 | 0 | 112.8 | D775 Q779 | D775-S777 PolarHBondContact O-N 3.49Å; D775-S777 VanDerWaalsContact OD1-CB 3.3Å; D775-S777 WeakPolarHBondContact OD1-CB 3.37Å; D775-S777 PolarHBondContact OD1-N 3.16Å; D775-S777 PolarHBondContact OD1-OG 2.84Å; D775-S777 PolarHBondContact OD2-OG 3.46Å; S777-Q779 VanDerWaalsContact C-N 3.25Å; S777-Q779 PolarHBondContact O-N 3.15Å |
| 778 | R | 90.1 | Very high | 91.6 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -87.6 | 19.7 | 179.8 | -59.7 | 179.9 | 98.4 | -168.4 | 6.8 | 113.4 | E751 M771 D775 K776 E780 K781 A782 | E751-R778 IonicContact OE1-CZ 3.42Å; E751-R778 IonicContact OE1-NH1 3.02Å; E751-R778 PolarHBondContact OE1-NH1 3Å; E751-R778 IonicContact OE1-NH2 2.83Å; E751-R778 PolarHBondContact OE1-NH2 3.22Å; M771-R778 HydrophobicContact CG-CB 4.08Å; M771-R778 HydrophobicContact SD-CB 4.29Å; D775-R778 HydrophobicContact CB-CG 4.23Å; D775-R778 PolarHBondContact O-N 3.25Å; D775-R778 WeakPolarHBondContact OD2-CG 3.39Å; K776-R778 PolarHBondContact O-N 2.83Å; R778-E780 PolarHBondContact O-N 3.09Å; R778-K781 PolarHBondContact O-N 3.15Å; R778-A782 WeakPolarHBondContact O-CB 3.42Å; R778-A782 PolarHBondContact O-N 2.94Å |
| 779 | Q | 91.4 | Very high | 91.2 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -54.7 | -51.7 | -176.1 | -171.2 | -174.4 | -7.9 | 0 | 0 | 112.8 | Y772 S777 K781 A782 I783 F813 N815 | Y772-Q779 HydrophobicContact CD2-CB 3.74Å; Y772-Q779 HydrophobicContact CD2-CG 3.87Å; Y772-Q779 HydrophobicContact CE2-CB 3.74Å; Y772-Q779 HydrophobicContact CE2-CG 3.7Å; S777-Q779 VanDerWaalsContact C-N 3.25Å; S777-Q779 PolarHBondContact O-N 3.15Å; Q779-K781 VanDerWaalsContact C-N 3.35Å; Q779-K781 PolarHBondContact O-N 3.31Å; Q779-A782 WeakPolarHBondContact O-CB 3.16Å; Q779-A782 PolarHBondContact O-N 3.17Å; Q779-I783 HydrophobicContact CG-CD1 3.95Å; Q779-I783 WeakPolarHBondContact O-CG1 3.5Å; Q779-I783 PolarHBondContact O-N 3.34Å; Q779-F813 VanDerWaalsContact CD-O 3.29Å; Q779-F813 WeakPolarHBondContact CG-O 3.47Å; Q779-F813 PolarHBondContact NE2-O 2.82Å; Q779-N815 PolarHBondContact NE2-O 2.94Å |
| 780 | E | 89.3 | Confident | 90.8 | Very high | 157 Ų | 157 | 57.9 Ų | 57.9 | 73% | 0.734 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.5 | -47.2 | -178.7 | -68.1 | -176.5 | 168 | 0 | 0 | 111.5 | R778 A782 I783 T784 | R778-E780 PolarHBondContact O-N 3.09Å; E780-A782 VanDerWaalsContact C-N 3.34Å; E780-A782 PolarHBondContact O-N 3.04Å; E780-I783 PolarHBondContact O-N 3.11Å; E780-T784 PolarHBondContact O-N 3.47Å; E780-T784 PolarHBondContact O-OG1 3.44Å |
| 781 | K | 91.5 | Very high | 90 | Very high | 103 Ų | 103 | 66.5 Ų | 66.5 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 177.5 | -173 | 178.6 | 179.8 | -177.9 | 0 | 111.9 | M771 R778 Q779 T784 I785 | M771-K781 HydrophobicContact SD-CB 4.46Å; M771-K781 HydrophobicContact SD-CD 4.16Å; M771-K781 HydrophobicContact SD-CG 4.15Å; R778-K781 PolarHBondContact O-N 3.15Å; Q779-K781 VanDerWaalsContact C-N 3.35Å; Q779-K781 PolarHBondContact O-N 3.31Å; K781-T784 PolarHBondContact O-N 2.96Å; K781-I785 HydrophobicContact CG-CD1 4.21Å; K781-I785 VanDerWaalsContact O-CG1 3.3Å; K781-I785 WeakPolarHBondContact O-CG1 3.49Å; K781-I785 PolarHBondContact O-N 3.38Å; K781-I785 VanDerWaalsContact O-N 3.16Å |
| 782 | A | 91 | Very high | 89.5 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A768 M771 R778 Q779 E780 I785 A786 F813 | A768-A782 HydrophobicContact CB-CB 4.32Å; A768-A782 VanDerWaalsContact CB-O 3.25Å; A768-A782 WeakPolarHBondContact CB-O 3.49Å; M771-A782 HydrophobicContact CB-CB 4.29Å; M771-A782 HydrophobicContact CG-CB 4.44Å; M771-A782 HydrophobicContact SD-CB 4.31Å; R778-A782 WeakPolarHBondContact O-CB 3.42Å; R778-A782 PolarHBondContact O-N 2.94Å; Q779-A782 WeakPolarHBondContact O-CB 3.16Å; Q779-A782 PolarHBondContact O-N 3.17Å; E780-A782 VanDerWaalsContact C-N 3.34Å; E780-A782 PolarHBondContact O-N 3.04Å; A782-I785 PolarHBondContact O-N 3.34Å; A782-A786 PolarHBondContact O-N 3.18Å; A782-F813 HydrophobicContact CB-CD1 4.2Å; A782-F813 HydrophobicContact CB-CE1 4.01Å |
| 783 | I | 91.4 | Very high | 89.1 | Confident | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 177.5 | -65.5 | 167.2 | 0 | 0 | 0 | 110.5 | Q779 E780 I785 A786 T787 L808 F813 C816 Q819 | Q779-I783 HydrophobicContact CG-CD1 3.95Å; Q779-I783 WeakPolarHBondContact O-CG1 3.5Å; Q779-I783 PolarHBondContact O-N 3.34Å; E780-I783 PolarHBondContact O-N 3.11Å; I783-I785 PolarHBondContact O-N 3.47Å; I783-A786 PolarHBondContact O-N 3.5Å; I783-T787 HydrophobicContact CG2-CG2 4Å; I783-T787 WeakPolarHBondContact O-CG2 3.4Å; I783-T787 PolarHBondContact O-N 3.34Å; I783-T787 PolarHBondContact O-OG1 2.92Å; I783-L808 HydrophobicContact CG1-CD2 4.44Å; I783-L808 HydrophobicContact CG2-CD2 4.23Å; I783-F813 HydrophobicContact CG1-CB 4.22Å; I783-F813 HydrophobicContact CG1-CD1 4.35Å; I783-F813 HydrophobicContact CG1-CG 4.28Å; I783-C816 HydrophobicContact CD1-CB 4.3Å; I783-Q819 HydrophobicContact CD1-CG 4.32Å; I783-Q819 HydrophobicContact CG2-CB 3.82Å; I783-Q819 HydrophobicContact CG2-CG 4.03Å |
| 784 | T | 92 | Very high | 88.4 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 59% | 0.589 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -56.7 | -35.9 | 177.7 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | E780 K781 | E780-T784 PolarHBondContact O-N 3.47Å; E780-T784 PolarHBondContact O-OG1 3.44Å; K781-T784 PolarHBondContact O-N 2.96Å |
| 785 | I | 90.9 | Very high | 87.9 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 16% | 0.164 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.4 | -43.4 | 176.3 | -68.3 | 167.8 | 0 | 0 | 0 | 110.9 | L754 L764 A768 M771 K781 A782 I783 | L754-I785 HydrophobicContact CD1-CD1 4.39Å; L754-I785 HydrophobicContact CD2-CG2 3.98Å; L764-I785 HydrophobicContact CB-CG2 4.05Å; L764-I785 HydrophobicContact CD2-CG2 3.93Å; L764-I785 HydrophobicContact CG-CG2 4.45Å; A768-I785 HydrophobicContact CB-CB 4.4Å; A768-I785 HydrophobicContact CB-CG2 4.28Å; M771-I785 HydrophobicContact CE-CD1 3.71Å; M771-I785 HydrophobicContact SD-CD1 4.22Å; K781-I785 HydrophobicContact CG-CD1 4.21Å; K781-I785 VanDerWaalsContact O-CG1 3.3Å; K781-I785 WeakPolarHBondContact O-CG1 3.49Å; K781-I785 PolarHBondContact O-N 3.38Å; K781-I785 VanDerWaalsContact O-N 3.16Å; A782-I785 PolarHBondContact O-N 3.34Å; I783-I785 PolarHBondContact O-N 3.47Å |
| 786 | A | 89.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.4 | -30.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L765 A768 A782 I783 V804 F813 | L765-A786 HydrophobicContact CD1-CB 4.08Å; A768-A786 HydrophobicContact CB-CB 3.85Å; A782-A786 PolarHBondContact O-N 3.18Å; I783-A786 PolarHBondContact O-N 3.5Å; A786-V804 WeakPolarHBondContact O-CG1 3.36Å; A786-F813 HydrophobicContact CB-CE2 4.23Å; A786-F813 HydrophobicContact CB-CZ 3.83Å |
| 787 | T | 90.3 | Very high | 87 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 12.7 | -176.2 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | I783 L789 V804 L808 Y823 | I783-T787 HydrophobicContact CG2-CG2 4Å; I783-T787 WeakPolarHBondContact O-CG2 3.4Å; I783-T787 PolarHBondContact O-N 3.34Å; I783-T787 PolarHBondContact O-OG1 2.92Å; T787-L789 PolarHBondContact O-N 2.87Å; T787-V804 HydrophobicContact CG2-CG1 4.39Å; T787-L808 HydrophobicContact CG2-CD1 4Å; T787-Y823 VanDerWaalsContact CB-CD2 3.48Å; T787-Y823 HydrophobicContact CG2-CD2 3.64Å; T787-Y823 HydrophobicContact CG2-CE2 4.24Å; T787-Y823 HydrophobicContact CG2-CG 3.89Å |
| 788 | R | 88.7 | Confident | 86.6 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 31% | 0.306 | 31% | 0.308 | S | S | . | . | trans | -72 | 120.7 | -177.2 | -145.4 | -180 | 80.2 | -156.1 | 3.6 | 111.8 | A758 D790 | A758-R788 PolarHBondContact O-NH2 3.1Å; R788-D790 VanDerWaalsContact CG-OD1 3.31Å; R788-D790 WeakPolarHBondContact CG-OD1 3.47Å; R788-D790 IonicContact CZ-OD1 3.74Å; R788-D790 IonicContact NE-OD1 2.79Å; R788-D790 PolarHBondContact NE-OD1 2.91Å; R788-D790 IonicContact NH2-OD1 3.88Å | ||
| 789 | L | 85.6 | Confident | 86.4 | Confident | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | trans | -121.9 | 15.4 | -174.4 | -65.6 | 177.1 | 0 | 0 | 0 | 114.5 | L761 T787 K796 L801 Y823 A826 | L761-L789 HydrophobicContact CD2-CD2 4.45Å; T787-L789 PolarHBondContact O-N 2.87Å; L789-K796 PolarHBondContact O-NZ 3.39Å; L789-L801 HydrophobicContact CD2-CD2 3.44Å; L789-L801 VanDerWaalsContact CD2-CD2 3.44Å; L789-Y823 HydrophobicContact CD1-CD2 4.1Å; L789-Y823 HydrophobicContact CD1-CE2 3.73Å; L789-Y823 HydrophobicContact CD2-CE2 3.97Å; L789-Y823 HydrophobicContact CG-CE2 3.91Å; L789-A826 HydrophobicContact CD1-CB 3.91Å | ||
| 790 | D | 84.4 | Confident | 86.2 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | trans | -63.7 | 160.1 | -177.6 | 66 | -61.9 | 0 | 0 | 0 | 113.5 | R788 T792 I793 K796 | R788-D790 VanDerWaalsContact CG-OD1 3.31Å; R788-D790 WeakPolarHBondContact CG-OD1 3.47Å; R788-D790 IonicContact CZ-OD1 3.74Å; R788-D790 IonicContact NE-OD1 2.79Å; R788-D790 PolarHBondContact NE-OD1 2.91Å; R788-D790 IonicContact NH2-OD1 3.88Å; D790-T792 PolarHBondContact O-N 3.31Å; D790-T792 WeakPolarHBondContact OD2-CB 3.5Å; D790-T792 WeakPolarHBondContact OD2-CG2 3.41Å; D790-T792 PolarHBondContact OD2-OG1 3.27Å; D790-I793 WeakPolarHBondContact O-CB 3.32Å; D790-I793 PolarHBondContact O-N 3.42Å; D790-I793 WeakPolarHBondContact OD1-CG1 3.49Å; D790-K796 VanDerWaalsContact C-NZ 3.26Å; D790-K796 VanDerWaalsContact O-CE 3.26Å; D790-K796 WeakPolarHBondContact O-CE 3.25Å; D790-K796 PolarHBondContact O-NZ 2.68Å | ||
| 791 | E | 79.5 | Confident | 86.2 | Confident | 192 Ų | 192 | 58.1 Ų | 58.1 | 90% | 0.897 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -24.5 | -175.5 | -67.4 | -169.3 | 171.3 | 0 | 0 | 114.1 | I793 | E791-I793 PolarHBondContact O-N 3.48Š|
| 792 | T | 83.6 | Confident | 86 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.2 | 178.5 | 78.9 | 0 | 0 | 0 | 0 | 113.6 | D790 K794 | D790-T792 PolarHBondContact O-N 3.31Å; D790-T792 WeakPolarHBondContact OD2-CB 3.5Å; D790-T792 WeakPolarHBondContact OD2-CG2 3.41Å; D790-T792 PolarHBondContact OD2-OG1 3.27Å; T792-K794 PolarHBondContact O-N 2.94Å |
| 793 | I | 84.2 | Confident | 85.9 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | trans | -76.5 | 119 | -176.1 | -66.5 | -70.4 | 0 | 0 | 0 | 111.7 | L761 L764 D790 E791 K796 | L761-I793 HydrophobicContact CB-CG2 3.83Å; L764-I793 HydrophobicContact CD1-CD1 3.45Å; L764-I793 VanDerWaalsContact CD1-CD1 3.45Å; D790-I793 WeakPolarHBondContact O-CB 3.32Å; D790-I793 PolarHBondContact O-N 3.42Å; D790-I793 WeakPolarHBondContact OD1-CG1 3.49Å; E791-I793 PolarHBondContact O-N 3.48Å; I793-K796 HydrophobicContact CB-CG 4.43Å; I793-K796 HydrophobicContact CG2-CD 4.45Å; I793-K796 HydrophobicContact CG2-CG 3.86Å; I793-K796 WeakPolarHBondContact O-CE 3.24Å | ||
| 794 | K | 77.6 | Confident | 85.8 | Confident | 144 Ų | 144 | 60.3 Ų | 60.3 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | B | Isolated β-bridge | trans | -42.2 | 155.4 | 159.7 | 40.7 | 152.4 | 167.7 | 167.1 | 0 | 112.2 | T759 T792 K796 | T759-K794 WeakPolarHBondContact O-CA 3.46Å; T759-K794 PolarHBondContact O-N 3.38Å; T792-K794 PolarHBondContact O-N 2.94Å; K794-K796 VanDerWaalsContact C-N 3.3Å; K794-K796 PolarHBondContact O-N 2.93Å |
| 795 | D | 80.4 | Confident | 85.6 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | trans | 56.1 | 26.1 | 151 | 74.7 | -70.4 | 0 | 0 | 0 | 119.1 | S760 L761 N797 T800 | S760-D795 VanDerWaalsContact CA-OD1 3.29Å; S760-D795 WeakPolarHBondContact CA-OD1 3.41Å; S760-D795 PolarHBondContact OG-OD1 2.81Å; S760-D795 VanDerWaalsContact OG-OD1 3.04Å; L761-D795 PolarHBondContact N-OD1 3.47Å; L761-D795 VanDerWaalsContact N-OD1 3.09Å; D795-N797 VanDerWaalsContact C-N 3.28Å; D795-N797 PolarHBondContact O-N 3.11Å; D795-N797 PolarHBondContact O-ND2 2.93Å; D795-T800 PolarHBondContact O-OG1 2.99Å | ||
| 796 | K | 80.7 | Confident | 85.5 | Confident | 62 Ų | 62 | 60 Ų | 60 | 27% | 0.27 | 29% | 0.288 | S | S | . | . | trans | -69.2 | 76.2 | 171.9 | -58.7 | -175.6 | -125.4 | -175.4 | 0 | 112.2 | L789 D790 I793 K794 L830 | L789-K796 PolarHBondContact O-NZ 3.39Å; D790-K796 VanDerWaalsContact C-NZ 3.26Å; D790-K796 VanDerWaalsContact O-CE 3.26Å; D790-K796 WeakPolarHBondContact O-CE 3.25Å; D790-K796 PolarHBondContact O-NZ 2.68Å; I793-K796 HydrophobicContact CB-CG 4.43Å; I793-K796 HydrophobicContact CG2-CD 4.45Å; I793-K796 HydrophobicContact CG2-CG 3.86Å; I793-K796 WeakPolarHBondContact O-CE 3.24Å; K794-K796 VanDerWaalsContact C-N 3.3Å; K794-K796 PolarHBondContact O-N 2.93Å; K796-L830 HydrophobicContact CB-CD2 4.44Å; K796-L830 HydrophobicContact CD-CD2 4.29Å | ||
| 797 | N | 82.1 | Confident | 85.4 | Confident | 59 Ų | 59 | 60 Ų | 60 | 32% | 0.316 | 29% | 0.288 | S | S | . | . | trans | -114.1 | 160.5 | 176.5 | 64 | 74.9 | 0 | 0 | 0 | 110.4 | D795 K799 T800 L801 | D795-N797 VanDerWaalsContact C-N 3.28Å; D795-N797 PolarHBondContact O-N 3.11Å; D795-N797 PolarHBondContact O-ND2 2.93Å; N797-K799 PolarHBondContact O-N 3.38Å; N797-K799 WeakPolarHBondContact OD1-CB 3.35Å; N797-K799 PolarHBondContact OD1-N 2.73Å; N797-K799 VanDerWaalsContact OD1-N 3.13Å; N797-T800 PolarHBondContact N-OG1 2.92Å; N797-T800 VanDerWaalsContact N-OG1 3.09Å; N797-T800 PolarHBondContact ND2-OG1 3.03Å; N797-T800 PolarHBondContact O-N 2.91Å; N797-T800 PolarHBondContact O-OG1 3.41Å; N797-T800 PolarHBondContact OD1-N 3.49Å; N797-T800 VanDerWaalsContact OD1-N 3.1Å; N797-T800 PolarHBondContact OD1-OG1 3.19Å; N797-L801 WeakPolarHBondContact O-CG 3.31Å; N797-L801 PolarHBondContact O-N 3.19Å | ||
| 798 | V | 84.1 | Confident | 85.3 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -48.7 | -39.6 | -178.8 | 173.6 | 0 | 0 | 0 | 0 | 112.5 | H420 I421 I802 L831 T834 | H420-V798 VanDerWaalsContact O-CG2 3.24Å; H420-V798 WeakPolarHBondContact O-CG2 3.19Å; I421-V798 WeakPolarHBondContact O-CG2 3.24Å; V798-I802 HydrophobicContact CG1-CD1 3.59Å; V798-I802 HydrophobicContact CG1-CG1 4.36Å; V798-I802 WeakPolarHBondContact O-CB 3.38Å; V798-I802 WeakPolarHBondContact O-CD1 3.18Å; V798-I802 WeakPolarHBondContact O-CG1 3.31Å; V798-I802 PolarHBondContact O-N 3.23Å; V798-L831 HydrophobicContact CG2-CD1 3.83Å; V798-T834 HydrophobicContact CG1-CG2 4.17Å |
| 799 | K | 85.8 | Confident | 85.2 | Confident | 156 Ų | 156 | 60 Ų | 60 | 68% | 0.678 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -70.1 | -41.2 | -178.2 | -59.6 | 178.6 | 179.7 | 176.2 | 0 | 112.7 | N797 K803 | N797-K799 PolarHBondContact O-N 3.38Å; N797-K799 WeakPolarHBondContact OD1-CB 3.35Å; N797-K799 PolarHBondContact OD1-N 2.73Å; N797-K799 VanDerWaalsContact OD1-N 3.13Å; K799-K803 WeakPolarHBondContact O-CG 3.38Å; K799-K803 PolarHBondContact O-N 3.16Å; K799-K803 VanDerWaalsContact O-N 3.08Å |
| 800 | T | 86.9 | Confident | 85 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 179.4 | 44.7 | 0 | 0 | 0 | 0 | 111 | Q762 D795 N797 K803 V804 | Q762-T800 HydrophobicContact CG-CG2 3.52Å; D795-T800 PolarHBondContact O-OG1 2.99Å; N797-T800 PolarHBondContact N-OG1 2.92Å; N797-T800 VanDerWaalsContact N-OG1 3.09Å; N797-T800 PolarHBondContact ND2-OG1 3.03Å; N797-T800 PolarHBondContact O-N 2.91Å; N797-T800 PolarHBondContact O-OG1 3.41Å; N797-T800 PolarHBondContact OD1-N 3.49Å; N797-T800 VanDerWaalsContact OD1-N 3.1Å; N797-T800 PolarHBondContact OD1-OG1 3.19Å; T800-K803 WeakPolarHBondContact O-CB 3.35Å; T800-K803 PolarHBondContact O-N 2.93Å; T800-V804 PolarHBondContact O-N 3.4Å; T800-V804 VanDerWaalsContact O-N 3.14Å |
| 801 | L | 89.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 177 | -61.4 | 172.8 | 0 | 0 | 0 | 111.7 | L761 L789 N797 K803 V804 S805 Y823 L830 L831 F837 | L761-L801 HydrophobicContact CD2-CD2 3.84Å; L789-L801 HydrophobicContact CD2-CD2 3.44Å; L789-L801 VanDerWaalsContact CD2-CD2 3.44Å; N797-L801 WeakPolarHBondContact O-CG 3.31Å; N797-L801 PolarHBondContact O-N 3.19Å; L801-K803 VanDerWaalsContact C-N 3.33Å; L801-K803 PolarHBondContact O-N 3.03Å; L801-V804 PolarHBondContact O-N 3.04Å; L801-S805 PolarHBondContact O-N 3.44Å; L801-S805 VanDerWaalsContact O-N 3.08Å; L801-S805 PolarHBondContact O-OG 2.7Å; L801-Y823 VanDerWaalsContact CD2-OH 3.32Å; L801-Y823 WeakPolarHBondContact CD2-OH 3.48Å; L801-L830 HydrophobicContact CD1-CD2 3.99Å; L801-L831 HydrophobicContact CD1-CD1 3.52Å; L801-L831 HydrophobicContact CD1-CG 4.49Å; L801-F837 HydrophobicContact CB-CE2 4.05Å; L801-F837 HydrophobicContact CB-CZ 3.67Å; L801-F837 HydrophobicContact CD1-CE2 4.45Å |
| 802 | I | 87.9 | Confident | 85 | Confident | 49 Ų | 49 | 54.7 Ų | 54.7 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 175 | -71.4 | 170.8 | 0 | 0 | 0 | 111.2 | V798 V804 S805 E806 A836 F837 | V798-I802 HydrophobicContact CG1-CD1 3.59Å; V798-I802 HydrophobicContact CG1-CG1 4.36Å; V798-I802 WeakPolarHBondContact O-CB 3.38Å; V798-I802 WeakPolarHBondContact O-CD1 3.18Å; V798-I802 WeakPolarHBondContact O-CG1 3.31Å; V798-I802 PolarHBondContact O-N 3.23Å; I802-V804 VanDerWaalsContact C-N 3.3Å; I802-V804 PolarHBondContact O-N 3.45Å; I802-S805 CarbonylContact O-C 3.38Å; I802-S805 WeakPolarHBondContact O-CB 3.45Å; I802-S805 PolarHBondContact O-N 3.16Å; I802-S805 VanDerWaalsContact O-N 3.14Å; I802-E806 HydrophobicContact CG2-CG 4.16Å; I802-E806 WeakPolarHBondContact O-CG 3.48Å; I802-E806 PolarHBondContact O-N 3.2Å; I802-A836 HydrophobicContact CD1-CB 4.1Å; I802-A836 HydrophobicContact CG1-CB 4.05Å; I802-F837 HydrophobicContact CG1-CE1 4.47Å; I802-F837 HydrophobicContact CG1-CZ 3.93Å |
| 803 | K | 88.1 | Confident | 85.2 | Confident | 106 Ų | 106 | 50.8 Ų | 50.8 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 177 | -79.3 | -179.9 | 175.2 | -168.3 | 0 | 113.2 | L765 K799 T800 L801 A807 | L765-K803 HydrophobicContact CD2-CB 4.3Å; K799-K803 WeakPolarHBondContact O-CG 3.38Å; K799-K803 PolarHBondContact O-N 3.16Å; K799-K803 VanDerWaalsContact O-N 3.08Å; T800-K803 WeakPolarHBondContact O-CB 3.35Å; T800-K803 PolarHBondContact O-N 2.93Å; L801-K803 VanDerWaalsContact C-N 3.33Å; L801-K803 PolarHBondContact O-N 3.03Å; K803-A807 WeakPolarHBondContact O-CB 3.46Å; K803-A807 PolarHBondContact O-N 3.19Å |
| 804 | V | 89.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -45 | 174.1 | 177 | 0 | 0 | 0 | 0 | 109.7 | L761 L765 A786 T787 T800 L801 I802 E806 A807 L808 Y823 | L761-V804 HydrophobicContact CD1-CG2 4.38Å; L761-V804 HydrophobicContact CD2-CG2 4.21Å; L761-V804 HydrophobicContact CG-CG2 4.17Å; L765-V804 HydrophobicContact CD1-CG2 4.25Å; L765-V804 HydrophobicContact CD2-CG2 4.04Å; A786-V804 WeakPolarHBondContact O-CG1 3.36Å; T787-V804 HydrophobicContact CG2-CG1 4.39Å; T800-V804 PolarHBondContact O-N 3.4Å; T800-V804 VanDerWaalsContact O-N 3.14Å; L801-V804 PolarHBondContact O-N 3.04Å; I802-V804 VanDerWaalsContact C-N 3.3Å; I802-V804 PolarHBondContact O-N 3.45Å; V804-E806 PolarHBondContact O-N 2.88Å; V804-A807 PolarHBondContact O-N 2.97Å; V804-L808 HydrophobicContact CG1-CD1 4.35Å; V804-L808 WeakPolarHBondContact O-CG 3.17Å; V804-L808 PolarHBondContact O-N 3.09Å; V804-Y823 HydrophobicContact CB-CE1 3.78Å; V804-Y823 WeakPolarHBondContact CB-OH 3.33Å; V804-Y823 HydrophobicContact CG1-CD1 4.2Å; V804-Y823 HydrophobicContact CG1-CE1 3.57Å; V804-Y823 HydrophobicContact CG1-CE2 4.02Å; V804-Y823 VanDerWaalsContact CG1-CZ 3.46Å |
| 805 | S | 88.8 | Confident | 85.6 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 174.7 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | L801 I802 L808 L809 Y823 F837 | L801-S805 PolarHBondContact O-N 3.44Å; L801-S805 VanDerWaalsContact O-N 3.08Å; L801-S805 PolarHBondContact O-OG 2.7Å; I802-S805 CarbonylContact O-C 3.38Å; I802-S805 WeakPolarHBondContact O-CB 3.45Å; I802-S805 PolarHBondContact O-N 3.16Å; I802-S805 VanDerWaalsContact O-N 3.14Å; S805-L808 PolarHBondContact O-N 3.4Å; S805-L809 WeakPolarHBondContact O-CG 3.32Å; S805-L809 PolarHBondContact O-N 2.95Å; S805-Y823 WeakPolarHBondContact OG-CE1 3.34Å; S805-F837 WeakPolarHBondContact OG-CE1 3.14Å |
| 806 | E | 88.2 | Confident | 85.8 | Confident | 112 Ų | 112 | 49 Ų | 49 | 52% | 0.523 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 174.8 | -73.2 | 173.4 | 170.9 | 0 | 0 | 111.1 | I802 V804 L808 L809 D810 | I802-E806 HydrophobicContact CG2-CG 4.16Å; I802-E806 WeakPolarHBondContact O-CG 3.48Å; I802-E806 PolarHBondContact O-N 3.2Å; V804-E806 PolarHBondContact O-N 2.88Å; E806-L808 VanDerWaalsContact C-N 3.29Å; E806-L808 PolarHBondContact O-N 3.43Å; E806-L809 CarbonylContact O-C 3.49Å; E806-L809 PolarHBondContact O-N 3.31Å; E806-D810 VanDerWaalsContact O-CB 3.31Å; E806-D810 WeakPolarHBondContact O-CB 3.34Å; E806-D810 VanDerWaalsContact O-CG 3.32Å; E806-D810 PolarHBondContact O-N 2.82Å |
| 807 | A | 87.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.4 | -29.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L765 K769 K803 V804 L809 D810 S812 F813 | L765-A807 HydrophobicContact CD1-CB 3.84Å; K769-A807 VanDerWaalsContact CE-CB 3.45Å; K803-A807 WeakPolarHBondContact O-CB 3.46Å; K803-A807 PolarHBondContact O-N 3.19Å; V804-A807 PolarHBondContact O-N 2.97Å; A807-L809 VanDerWaalsContact C-N 3.29Å; A807-D810 WeakPolarHBondContact CA-OD1 3.42Å; A807-S812 WeakPolarHBondContact O-CB 3.25Å; A807-F813 HydrophobicContact CB-CD2 4.47Å; A807-F813 HydrophobicContact CB-CE2 4.02Å |
| 808 | L | 88.4 | Confident | 86 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.1 | -23.4 | 173.9 | -67.6 | 170.4 | 0 | 0 | 0 | 112 | I783 T787 V804 S805 E806 F813 C816 Y820 Y823 | I783-L808 HydrophobicContact CG1-CD2 4.44Å; I783-L808 HydrophobicContact CG2-CD2 4.23Å; T787-L808 HydrophobicContact CG2-CD1 4Å; V804-L808 HydrophobicContact CG1-CD1 4.35Å; V804-L808 WeakPolarHBondContact O-CG 3.17Å; V804-L808 PolarHBondContact O-N 3.09Å; S805-L808 PolarHBondContact O-N 3.4Å; E806-L808 VanDerWaalsContact C-N 3.29Å; E806-L808 PolarHBondContact O-N 3.43Å; L808-F813 HydrophobicContact CD2-CD2 4.02Å; L808-C816 HydrophobicContact CD2-CB 4.17Å; L808-Y820 HydrophobicContact CB-CD2 4.19Å; L808-Y823 HydrophobicContact CD1-CD1 3.98Å; L808-Y823 HydrophobicContact CD1-CG 4.2Å |
| 809 | L | 85.9 | Confident | 86.2 | Confident | 111 Ų | 111 | 52 Ų | 52 | 58% | 0.581 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -98.6 | -29.9 | -178.8 | -66.6 | 174.8 | 0 | 0 | 0 | 113.7 | S805 E806 A807 G811 Y820 | S805-L809 WeakPolarHBondContact O-CG 3.32Å; S805-L809 PolarHBondContact O-N 2.95Å; E806-L809 CarbonylContact O-C 3.49Å; E806-L809 PolarHBondContact O-N 3.31Å; A807-L809 VanDerWaalsContact C-N 3.29Å; L809-G811 PolarHBondContact O-N 3.01Å; L809-Y820 HydrophobicContact CD1-CD2 4.22Å; L809-Y820 HydrophobicContact CD1-CE2 3.63Å; L809-Y820 HydrophobicContact CD2-CD1 4.35Å; L809-Y820 HydrophobicContact CD2-CD2 3.94Å; L809-Y820 HydrophobicContact CD2-CE1 4.49Å; L809-Y820 HydrophobicContact CD2-CE2 4.08Å; L809-Y820 HydrophobicContact CD2-CG 4.07Å; L809-Y820 HydrophobicContact CG-CD2 3.85Å; L809-Y820 HydrophobicContact CG-CE2 3.79Å; L809-Y820 HydrophobicContact CG-CG 4.48Å |
| 810 | D | 81.4 | Confident | 86.3 | Confident | 99 Ų | 99 | 46.9 Ų | 46.9 | 53% | 0.529 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1 | -174 | 73.7 | 5.8 | 0 | 0 | 0 | 114.2 | E806 A807 S812 | E806-D810 VanDerWaalsContact O-CB 3.31Å; E806-D810 WeakPolarHBondContact O-CB 3.34Å; E806-D810 VanDerWaalsContact O-CG 3.32Å; E806-D810 PolarHBondContact O-N 2.82Å; A807-D810 WeakPolarHBondContact CA-OD1 3.42Å; D810-S812 VanDerWaalsContact CG-OG 3.28Å; D810-S812 WeakPolarHBondContact OD1-CB 3.5Å; D810-S812 PolarHBondContact OD1-N 3.44Å; D810-S812 PolarHBondContact OD1-OG 2.79Å; D810-S812 PolarHBondContact OD2-OG 3.2Å |
| 811 | G | 80.8 | Confident | 86.3 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 4.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L809 F813 G814 | L809-G811 PolarHBondContact O-N 3.01Å; G811-F813 PolarHBondContact O-N 2.74Å; G811-G814 PolarHBondContact O-N 2.92Å |
| 812 | S | 84.2 | Confident | 86.3 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25.1 | 176.5 | -66 | 0 | 0 | 0 | 0 | 113.2 | K769 Y772 A807 D810 | K769-S812 PolarHBondContact NZ-OG 3.05Å; Y772-S812 WeakPolarHBondContact CD1-O 3.32Å; A807-S812 WeakPolarHBondContact O-CB 3.25Å; D810-S812 VanDerWaalsContact CG-OG 3.28Å; D810-S812 WeakPolarHBondContact OD1-CB 3.5Å; D810-S812 PolarHBondContact OD1-N 3.44Å; D810-S812 PolarHBondContact OD1-OG 2.79Å; D810-S812 PolarHBondContact OD2-OG 3.2Å |
| 813 | F | 86.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 11.3 | 177.3 | -64.1 | -73.8 | 0 | 0 | 0 | 113.3 | L765 A768 K769 Y772 Q779 A782 I783 A786 A807 L808 G811 C816 | L765-F813 HydrophobicContact CD1-CE2 3.99Å; L765-F813 HydrophobicContact CD1-CZ 4.12Å; A768-F813 HydrophobicContact CB-CE1 3.84Å; A768-F813 HydrophobicContact CB-CZ 3.88Å; K769-F813 HydrophobicContact CG-CE1 4.36Å; K769-F813 HydrophobicContact CG-CE2 4.14Å; K769-F813 HydrophobicContact CG-CZ 3.76Å; Y772-F813 VanDerWaalsContact CE1-C 3.45Å; Y772-F813 HydrophobicContact CG-CD1 4.5Å; Q779-F813 VanDerWaalsContact CD-O 3.29Å; Q779-F813 WeakPolarHBondContact CG-O 3.47Å; Q779-F813 PolarHBondContact NE2-O 2.82Å; A782-F813 HydrophobicContact CB-CD1 4.2Å; A782-F813 HydrophobicContact CB-CE1 4.01Å; I783-F813 HydrophobicContact CG1-CB 4.22Å; I783-F813 HydrophobicContact CG1-CD1 4.35Å; I783-F813 HydrophobicContact CG1-CG 4.28Å; A786-F813 HydrophobicContact CB-CE2 4.23Å; A786-F813 HydrophobicContact CB-CZ 3.83Å; A807-F813 HydrophobicContact CB-CD2 4.47Å; A807-F813 HydrophobicContact CB-CE2 4.02Å; L808-F813 HydrophobicContact CD2-CD2 4.02Å; G811-F813 PolarHBondContact O-N 2.74Å; F813-C816 WeakPolarHBondContact CB-SG 3.37Å; F813-C816 PolarHBondContact O-SG 3.13Å; F813-C816 VanDerWaalsContact O-SG 3.35Å |
| 814 | G | 85.9 | Confident | 86.4 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 25% | 0.247 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 75.8 | -152 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G811 C816 | G811-G814 PolarHBondContact O-N 2.92Å; G814-C816 PolarHBondContact O-N 3.03Å; G814-C816 PolarHBondContact O-SG 3.32Å |
| 815 | N | 84.9 | Confident | 86.3 | Confident | 137 Ų | 137 | 54.9 Ų | 54.9 | 73% | 0.733 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -79.2 | 113.7 | -179.5 | -172.1 | 13 | 0 | 0 | 0 | 110.9 | Q779 | Q779-N815 PolarHBondContact NE2-O 2.94Š|
| 816 | C | 84.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | trans | -131.8 | 31.8 | -171.9 | -52.8 | 0 | 0 | 0 | 0 | 113 | I783 L808 F813 G814 S818 Q819 Y820 | I783-C816 HydrophobicContact CD1-CB 4.3Å; L808-C816 HydrophobicContact CD2-CB 4.17Å; F813-C816 WeakPolarHBondContact CB-SG 3.37Å; F813-C816 PolarHBondContact O-SG 3.13Å; F813-C816 VanDerWaalsContact O-SG 3.35Å; G814-C816 PolarHBondContact O-N 3.03Å; G814-C816 PolarHBondContact O-SG 3.32Å; C816-S818 VanDerWaalsContact C-N 3.34Å; C816-S818 PolarHBondContact O-N 3.44Å; C816-Q819 PolarHBondContact O-N 3.08Å; C816-Y820 VanDerWaalsContact O-CB 3.28Å; C816-Y820 WeakPolarHBondContact O-CB 3.49Å; C816-Y820 PolarHBondContact O-N 3.47Å | ||
| 817 | S | 82.7 | Confident | 86.1 | Confident | 81 Ų | 81 | 51 Ų | 51 | 57% | 0.566 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.1 | -37 | -171.4 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | E821 | S817-E821 PolarHBondContact O-N 3.18Å |
| 818 | S | 84.8 | Confident | 86.1 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 46% | 0.462 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.9 | -46.1 | 177.6 | 55 | 0 | 0 | 0 | 0 | 112.3 | C816 Y820 E821 E822 | C816-S818 VanDerWaalsContact C-N 3.34Å; C816-S818 PolarHBondContact O-N 3.44Å; S818-Y820 VanDerWaalsContact C-N 3.29Å; S818-Y820 PolarHBondContact O-N 3.42Å; S818-E821 PolarHBondContact O-N 3.12Å; S818-E821 VanDerWaalsContact O-N 3.08Å; S818-E822 PolarHBondContact O-N 3.13Å; S818-E822 VanDerWaalsContact O-N 3.15Å |
| 819 | Q | 87.7 | Confident | 85.9 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.6 | -32 | 179.6 | -60.4 | 84.6 | -1.8 | 0 | 0 | 112 | I783 C816 E821 Y823 | I783-Q819 HydrophobicContact CD1-CG 4.32Å; I783-Q819 HydrophobicContact CG2-CB 3.82Å; I783-Q819 HydrophobicContact CG2-CG 4.03Å; C816-Q819 PolarHBondContact O-N 3.08Å; Q819-E821 VanDerWaalsContact C-N 3.29Å; Q819-E821 PolarHBondContact O-N 3.4Å; Q819-Y823 VanDerWaalsContact O-CB 3.31Å; Q819-Y823 WeakPolarHBondContact O-CB 3.5Å; Q819-Y823 PolarHBondContact O-N 3.13Å |
| 820 | Y | 87.4 | Confident | 85.7 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 169.8 | 169.3 | -96.1 | 0 | 0 | 0 | 111.2 | L808 L809 C816 S818 Y823 R824 | L808-Y820 HydrophobicContact CB-CD2 4.19Å; L809-Y820 HydrophobicContact CD1-CD2 4.22Å; L809-Y820 HydrophobicContact CD1-CE2 3.63Å; L809-Y820 HydrophobicContact CD2-CD1 4.35Å; L809-Y820 HydrophobicContact CD2-CD2 3.94Å; L809-Y820 HydrophobicContact CD2-CE1 4.49Å; L809-Y820 HydrophobicContact CD2-CE2 4.08Å; L809-Y820 HydrophobicContact CD2-CG 4.07Å; L809-Y820 HydrophobicContact CG-CD2 3.85Å; L809-Y820 HydrophobicContact CG-CE2 3.79Å; L809-Y820 HydrophobicContact CG-CG 4.48Å; C816-Y820 VanDerWaalsContact O-CB 3.28Å; C816-Y820 WeakPolarHBondContact O-CB 3.49Å; C816-Y820 PolarHBondContact O-N 3.47Å; S818-Y820 VanDerWaalsContact C-N 3.29Å; S818-Y820 PolarHBondContact O-N 3.42Å; Y820-Y823 PolarHBondContact O-N 3.26Å; Y820-R824 HydrophobicContact CE1-CB 4.49Å; Y820-R824 WeakPolarHBondContact O-CB 3.39Å; Y820-R824 PolarHBondContact O-N 3.42Å |
| 821 | E | 87.4 | Confident | 85.7 | Confident | 73 Ų | 73 | 54 Ų | 54 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.5 | -38 | -174.8 | -165.4 | 59.3 | -177.6 | 0 | 0 | 112.7 | S817 S818 Q819 R824 M825 | S817-E821 PolarHBondContact O-N 3.18Å; S818-E821 PolarHBondContact O-N 3.12Å; S818-E821 VanDerWaalsContact O-N 3.08Å; Q819-E821 VanDerWaalsContact C-N 3.29Å; Q819-E821 PolarHBondContact O-N 3.4Å; E821-R824 PolarHBondContact O-N 3.12Å; E821-R824 IonicContact OE1-CZ 2.95Å; E821-R824 VanDerWaalsContact OE1-CZ 3.24Å; E821-R824 IonicContact OE1-NE 2.82Å; E821-R824 PolarHBondContact OE1-NE 3.31Å; E821-R824 IonicContact OE1-NH2 3.31Å; E821-R824 PolarHBondContact OE1-NH2 2.86Å; E821-R824 WeakPolarHBondContact OE2-CD 3.29Å; E821-R824 IonicContact OE2-CZ 3.32Å; E821-R824 IonicContact OE2-NE 3.92Å; E821-R824 PolarHBondContact OE2-NE 2.97Å; E821-R824 IonicContact OE2-NH2 3.24Å; E821-M825 WeakPolarHBondContact O-CG 3.41Å; E821-M825 PolarHBondContact O-N 2.98Å |
| 822 | E | 88.4 | Confident | 85.5 | Confident | 126 Ų | 126 | 54.9 Ų | 54.9 | 59% | 0.589 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.9 | -47.5 | 168.9 | -69.1 | 174.3 | -172.7 | 0 | 0 | 111.6 | S818 R824 M825 A826 | S818-E822 PolarHBondContact O-N 3.13Å; S818-E822 VanDerWaalsContact O-N 3.15Å; E822-R824 PolarHBondContact O-N 2.89Å; E822-M825 PolarHBondContact O-N 2.71Å; E822-A826 PolarHBondContact O-N 3.29Å |
| 823 | Y | 89.3 | Confident | 85.1 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 178.3 | -177.9 | -106.1 | 0 | 0 | 0 | 112.4 | T787 L789 L801 V804 S805 L808 Q819 Y820 A826 C827 | T787-Y823 VanDerWaalsContact CB-CD2 3.48Å; T787-Y823 HydrophobicContact CG2-CD2 3.64Å; T787-Y823 HydrophobicContact CG2-CE2 4.24Å; T787-Y823 HydrophobicContact CG2-CG 3.89Å; L789-Y823 HydrophobicContact CD1-CD2 4.1Å; L789-Y823 HydrophobicContact CD1-CE2 3.73Å; L789-Y823 HydrophobicContact CD2-CE2 3.97Å; L789-Y823 HydrophobicContact CG-CE2 3.91Å; L801-Y823 VanDerWaalsContact CD2-OH 3.32Å; L801-Y823 WeakPolarHBondContact CD2-OH 3.48Å; V804-Y823 HydrophobicContact CB-CE1 3.78Å; V804-Y823 WeakPolarHBondContact CB-OH 3.33Å; V804-Y823 HydrophobicContact CG1-CD1 4.2Å; V804-Y823 HydrophobicContact CG1-CE1 3.57Å; V804-Y823 HydrophobicContact CG1-CE2 4.02Å; V804-Y823 VanDerWaalsContact CG1-CZ 3.46Å; S805-Y823 WeakPolarHBondContact OG-CE1 3.34Å; L808-Y823 HydrophobicContact CD1-CD1 3.98Å; L808-Y823 HydrophobicContact CD1-CG 4.2Å; Q819-Y823 VanDerWaalsContact O-CB 3.31Å; Q819-Y823 WeakPolarHBondContact O-CB 3.5Å; Q819-Y823 PolarHBondContact O-N 3.13Å; Y820-Y823 PolarHBondContact O-N 3.26Å; Y823-A826 PolarHBondContact O-N 3.44Å; Y823-C827 WeakPolarHBondContact CE1-SG 3.45Å; Y823-C827 WeakPolarHBondContact O-CB 3.37Å; Y823-C827 PolarHBondContact O-N 3.34Å; Y823-C827 PolarHBondContact O-SG 3.24Å |
| 824 | R | 90 | Very high | 85 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 175.6 | -170.7 | -170.6 | 69.1 | 71.8 | -1.9 | 110.8 | Y820 E821 E822 C827 H828 F837 L838 | Y820-R824 HydrophobicContact CE1-CB 4.49Å; Y820-R824 WeakPolarHBondContact O-CB 3.39Å; Y820-R824 PolarHBondContact O-N 3.42Å; E821-R824 PolarHBondContact O-N 3.12Å; E821-R824 IonicContact OE1-CZ 2.95Å; E821-R824 VanDerWaalsContact OE1-CZ 3.24Å; E821-R824 IonicContact OE1-NE 2.82Å; E821-R824 PolarHBondContact OE1-NE 3.31Å; E821-R824 IonicContact OE1-NH2 3.31Å; E821-R824 PolarHBondContact OE1-NH2 2.86Å; E821-R824 WeakPolarHBondContact OE2-CD 3.29Å; E821-R824 IonicContact OE2-CZ 3.32Å; E821-R824 IonicContact OE2-NE 3.92Å; E821-R824 PolarHBondContact OE2-NE 2.97Å; E821-R824 IonicContact OE2-NH2 3.24Å; E822-R824 PolarHBondContact O-N 2.89Å; R824-C827 PolarHBondContact O-N 3.37Å; R824-H828 WeakPolarHBondContact O-CB 3.27Å; R824-H828 PolarHBondContact O-N 3.31Å; R824-F837 HydrophobicContact CG-CB 4.44Å; R824-F837 HydrophobicContact CG-CD1 4.4Å; R824-F837 PolarHBondContact NH1-O 2.97Å; R824-L838 PolarHBondContact NH1-O 3.38Å |
| 825 | M | 87.8 | Confident | 84.8 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 50% | 0.498 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 175.9 | -71.8 | -165.7 | -63.6 | 0 | 0 | 112 | E821 E822 C827 H828 N829 | E821-M825 WeakPolarHBondContact O-CG 3.41Å; E821-M825 PolarHBondContact O-N 2.98Å; E822-M825 PolarHBondContact O-N 2.71Å; M825-C827 VanDerWaalsContact C-N 3.34Å; M825-C827 PolarHBondContact O-N 3.47Å; M825-H828 WeakPolarHBondContact O-CB 3.48Å; M825-H828 PolarHBondContact O-N 3.48Å; M825-N829 PolarHBondContact O-N 2.94Å |
| 826 | A | 86.7 | Confident | 84.6 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L789 E822 Y823 N829 L830 | L789-A826 HydrophobicContact CD1-CB 3.91Å; E822-A826 PolarHBondContact O-N 3.29Å; Y823-A826 PolarHBondContact O-N 3.44Å; A826-N829 PolarHBondContact O-N 2.88Å; A826-L830 PolarHBondContact O-N 3.06Å |
| 827 | C | 86.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 174.4 | -71.4 | 0 | 0 | 0 | 0 | 112.7 | Y823 R824 M825 L830 L831 F837 | Y823-C827 WeakPolarHBondContact CE1-SG 3.45Å; Y823-C827 WeakPolarHBondContact O-CB 3.37Å; Y823-C827 PolarHBondContact O-N 3.34Å; Y823-C827 PolarHBondContact O-SG 3.24Å; R824-C827 PolarHBondContact O-N 3.37Å; M825-C827 VanDerWaalsContact C-N 3.34Å; M825-C827 PolarHBondContact O-N 3.47Å; C827-L830 PolarHBondContact O-N 3.33Å; C827-L831 PolarHBondContact O-N 2.79Å; C827-F837 HydrophobicContact CB-CB 4.26Å; C827-F837 HydrophobicContact CB-CD1 3.73Å; C827-F837 HydrophobicContact CB-CD2 3.65Å; C827-F837 HydrophobicContact CB-CE1 3.93Å; C827-F837 HydrophobicContact CB-CE2 3.85Å; C827-F837 HydrophobicContact CB-CG 3.6Å; C827-F837 HydrophobicContact CB-CZ 3.99Å |
| 828 | H | 86.9 | Confident | 84.5 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 22% | 0.218 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176 | -177.6 | 57.9 | 0 | 0 | 0 | 111.7 | R824 M825 L830 L831 P832 F837 | R824-H828 WeakPolarHBondContact O-CB 3.27Å; R824-H828 PolarHBondContact O-N 3.31Å; M825-H828 WeakPolarHBondContact O-CB 3.48Å; M825-H828 PolarHBondContact O-N 3.48Å; H828-L830 VanDerWaalsContact C-N 3.27Å; H828-L830 PolarHBondContact O-N 2.6Å; H828-L831 CarbonylContact O-C 3.51Å; H828-L831 PolarHBondContact O-N 2.88Å; H828-P832 PolarHBondContact CE1-O 3.14Å; H828-P832 VanDerWaalsContact CE1-O 3.23Å; H828-P832 PolarHBondContact ND1-O 3.46Å; H828-P832 WeakPolarHBondContact O-CA 3.49Å; H828-F837 HydrophobicContact CB-CB 4.11Å; H828-F837 WeakPolarHBondContact CB-O 3.48Å |
| 829 | N | 84.6 | Confident | 83.9 | Confident | 129 Ų | 129 | 55.8 Ų | 55.8 | 69% | 0.69 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.2 | -35.6 | 176.3 | -68 | -20.6 | 0 | 0 | 0 | 112.2 | M825 A826 | M825-N829 PolarHBondContact O-N 2.94Å; A826-N829 PolarHBondContact O-N 2.88Å |
| 830 | L | 80.8 | Confident | 82.5 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.4 | -38.8 | 176.6 | -169.9 | 74.4 | 0 | 0 | 0 | 112.2 | K796 L801 A826 C827 H828 | K796-L830 HydrophobicContact CB-CD2 4.44Å; K796-L830 HydrophobicContact CD-CD2 4.29Å; L801-L830 HydrophobicContact CD1-CD2 3.99Å; A826-L830 PolarHBondContact O-N 3.06Å; C827-L830 PolarHBondContact O-N 3.33Å; H828-L830 VanDerWaalsContact C-N 3.27Å; H828-L830 PolarHBondContact O-N 2.6Å |
| 831 | L | 81.1 | Confident | 80.3 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | trans | -134.1 | 78.8 | -176.4 | -61.5 | 172.1 | 0 | 0 | 0 | 110.8 | Y390 V798 L801 C827 H828 F833 T834 | Y390-L831 HydrophobicContact CD2-CD2 4.25Å; Y390-L831 HydrophobicContact CE2-CD2 4Å; V798-L831 HydrophobicContact CG2-CD1 3.83Å; L801-L831 HydrophobicContact CD1-CD1 3.52Å; L801-L831 HydrophobicContact CD1-CG 4.49Å; C827-L831 PolarHBondContact O-N 2.79Å; H828-L831 CarbonylContact O-C 3.51Å; H828-L831 PolarHBondContact O-N 2.88Å; L831-F833 PolarHBondContact O-N 3.05Å; L831-F833 VanDerWaalsContact O-N 3.09Å; L831-T834 VanDerWaalsContact CB-OG1 3.25Å; L831-T834 WeakPolarHBondContact CB-OG1 3.39Å; L831-T834 PolarHBondContact O-N 2.71Å; L831-T834 VanDerWaalsContact O-N 3.16Å | ||
| 832 | P | 78.2 | Confident | 77.6 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 40% | 0.403 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.2 | -170.4 | -26.7 | 35.3 | 0 | 0 | 0 | 114.1 | H828 | H828-P832 PolarHBondContact CE1-O 3.14Å; H828-P832 VanDerWaalsContact CE1-O 3.23Å; H828-P832 PolarHBondContact ND1-O 3.46Å; H828-P832 WeakPolarHBondContact O-CA 3.49Å |
| 833 | F | 76.1 | Confident | 74.9 | Confident | 104 Ų | 104 | 67.5 Ų | 67.5 | 46% | 0.456 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -0.1 | -173.6 | -56.4 | -70.4 | 0 | 0 | 0 | 113.7 | I421 N423 L831 S835 | I421-F833 HydrophobicContact CD1-CB 4.47Å; I421-F833 HydrophobicContact CG2-CB 3.33Å; I421-F833 WeakPolarHBondContact CG2-O 3.3Å; N423-F833 WeakPolarHBondContact CB-O 3.46Å; L831-F833 PolarHBondContact O-N 3.05Å; L831-F833 VanDerWaalsContact O-N 3.09Å; F833-S835 PolarHBondContact O-N 3.18Å |
| 834 | T | 82.8 | Confident | 72.1 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.006 | 42% | 0.416 | C | S | . | . | trans | -77.7 | 120 | 179.7 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | I421 V798 L831 A836 F837 | I421-T834 WeakPolarHBondContact O-CB 3.48Å; I421-T834 PolarHBondContact O-OG1 3.49Å; V798-T834 HydrophobicContact CG1-CG2 4.17Å; L831-T834 VanDerWaalsContact CB-OG1 3.25Å; L831-T834 WeakPolarHBondContact CB-OG1 3.39Å; L831-T834 PolarHBondContact O-N 2.71Å; L831-T834 VanDerWaalsContact O-N 3.16Å; T834-A836 HydrophobicContact CG2-CB 4.18Å; T834-A836 PolarHBondContact O-N 3.49Å; T834-F837 HydrophobicContact CG2-CD2 3.65Å; T834-F837 HydrophobicContact CG2-CE2 3.82Å; T834-F837 HydrophobicContact CG2-CG 4.47Å; T834-F837 PolarHBondContact O-N 3.29Å; T834-F837 VanDerWaalsContact O-N 3.1Å | ||
| 835 | S | 81.9 | Confident | 69 | Low | 64 Ų | 64 | 78.6 Ų | 78.6 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -61.3 | -29.9 | -175.9 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | G422 F833 F837 | G422-S835 PolarHBondContact O-OG 3.09Å; F833-S835 PolarHBondContact O-N 3.18Å; S835-F837 PolarHBondContact O-N 3.06Å |
| 836 | A | 80.1 | Confident | 65.9 | Low | 43 Ų | 43 | 80.5 Ų | 80.5 | 36% | 0.355 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -67.6 | -18.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | I802 T834 | I802-A836 HydrophobicContact CD1-CB 4.1Å; I802-A836 HydrophobicContact CG1-CB 4.05Å; T834-A836 HydrophobicContact CG2-CB 4.18Å; T834-A836 PolarHBondContact O-N 3.49Å |
| 837 | F | 84.6 | Confident | 63.2 | Low | 1 Ų | 1 | 84.1 Ų | 84.1 | 0% | 0.004 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -114.8 | 1.9 | -176 | -51.8 | -48.1 | 0 | 0 | 0 | 113.2 | L801 I802 S805 R824 C827 H828 T834 S835 | L801-F837 HydrophobicContact CB-CE2 4.05Å; L801-F837 HydrophobicContact CB-CZ 3.67Å; L801-F837 HydrophobicContact CD1-CE2 4.45Å; I802-F837 HydrophobicContact CG1-CE1 4.47Å; I802-F837 HydrophobicContact CG1-CZ 3.93Å; S805-F837 WeakPolarHBondContact OG-CE1 3.14Å; R824-F837 HydrophobicContact CG-CB 4.44Å; R824-F837 HydrophobicContact CG-CD1 4.4Å; R824-F837 PolarHBondContact NH1-O 2.97Å; C827-F837 HydrophobicContact CB-CB 4.26Å; C827-F837 HydrophobicContact CB-CD1 3.73Å; C827-F837 HydrophobicContact CB-CD2 3.65Å; C827-F837 HydrophobicContact CB-CE1 3.93Å; C827-F837 HydrophobicContact CB-CE2 3.85Å; C827-F837 HydrophobicContact CB-CG 3.6Å; C827-F837 HydrophobicContact CB-CZ 3.99Å; H828-F837 HydrophobicContact CB-CB 4.11Å; H828-F837 WeakPolarHBondContact CB-O 3.48Å; T834-F837 HydrophobicContact CG2-CD2 3.65Å; T834-F837 HydrophobicContact CG2-CE2 3.82Å; T834-F837 HydrophobicContact CG2-CG 4.47Å; T834-F837 PolarHBondContact O-N 3.29Å; T834-F837 VanDerWaalsContact O-N 3.1Å; S835-F837 PolarHBondContact O-N 3.06Å |
| 838 | L | 81.3 | Confident | 60.3 | Low | 83 Ų | 83 | 91.2 Ų | 91.2 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -63.4 | 142.2 | 175.8 | -70.4 | 173.2 | 0 | 0 | 0 | 111 | R824 A840 | R824-L838 PolarHBondContact NH1-O 3.38Å; L838-A840 PolarHBondContact O-N 3.5Å |
| 839 | P | 72.9 | Confident | 57.4 | Low | 69 Ų | 69 | 95.6 Ų | 95.6 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | trans | -53.1 | 139.1 | 170.9 | -22.1 | 32.2 | 0 | 0 | 0 | 110.8 | V841 | P839-V841 PolarHBondContact O-N 3.24Š| ||
| 840 | A | 58.4 | Low | 54.5 | Low | 84 Ų | 84 | 93.1 Ų | 93.1 | 69% | 0.694 | 55% | 0.546 | S | S | * | . | trans | -57.9 | 110.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | L838 N842 | L838-A840 PolarHBondContact O-N 3.5Å; A840-N842 PolarHBondContact O-N 3.14Å; A840-N842 VanDerWaalsContact O-N 3.11Å | ||
| 841 | V | 41.1 | Very low | 52.1 | Low | 129 Ų | 129 | 97 Ų | 97 | 78% | 0.782 | 57% | 0.566 | S | S | * | * | trans | -62.5 | 117.1 | 169.6 | -179.2 | 0 | 0 | 0 | 0 | 105.2 | P839 E843 | P839-V841 PolarHBondContact O-N 3.24Å; V841-E843 VanDerWaalsContact C-N 3.32Å; V841-E843 PolarHBondContact O-N 2.99Å | ||
| 842 | N | 30.2 | Very low | 49.4 | Very low | 146 Ų | 146 | 102.5 Ų | 102.5 | 78% | 0.781 | 60% | 0.596 | S | S | * | * | trans | -59.1 | 98.3 | 170.2 | -77.2 | -23.8 | 0 | 0 | 0 | 107.7 | A840 V844 | A840-N842 PolarHBondContact O-N 3.14Å; A840-N842 VanDerWaalsContact O-N 3.11Å; N842-V844 PolarHBondContact O-N 2.94Å | ||
| 843 | E | 30.8 | Very low | 46.8 | Very low | 188 Ų | 188 | 109.4 Ų | 109.4 | 88% | 0.879 | 62% | 0.623 | S | S | * | * | trans | -70.9 | 62.8 | 162.9 | -76.2 | -170.6 | 159.4 | 0 | 0 | 109.4 | V841 | V841-E843 VanDerWaalsContact C-N 3.32Å; V841-E843 PolarHBondContact O-N 2.99Å | ||
| 844 | V | 30.8 | Very low | 44.2 | Very low | 115 Ų | 115 | 110 Ų | 110 | 70% | 0.697 | 64% | 0.635 | S | S | * | * | trans | -149.8 | 87.1 | 163.2 | -169 | 0 | 0 | 0 | 0 | 107.6 | N842 | N842-V844 PolarHBondContact O-N 2.94Š| ||
| 845 | D | 26 | Very low | 41.4 | Very low | 143 Ų | 143 | 114 Ų | 114 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 160.8 | 72.8 | 137.4 | -83.5 | -20.9 | 0 | 0 | 0 | 111.3 | ||
| 846 | N | 23 | Very low | 38.6 | Very low | 142 Ų | 142 | 119 Ų | 119 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | trans | -172.3 | 92.2 | 134.9 | -112.1 | -25.7 | 0 | 0 | 0 | 110.9 | N848 | N846-N848 PolarHBondContact O-N 3.01Š| ||
| 847 | P | 28.1 | Very low | 35.9 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | trans | -83.6 | 68.6 | 169.5 | 34.9 | -29.3 | 0 | 0 | 0 | 108.5 | ||||
| 848 | N | 26 | Very low | 33 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -174.1 | 43.9 | 167.8 | -100 | -14.7 | 0 | 0 | 0 | 115.3 | N846 | N846-N848 PolarHBondContact O-N 3.01Š| ||
| 849 | V | 26.7 | Very low | 30.3 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -130.7 | 66.9 | 151.4 | -169.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 850 | A | 23.6 | Very low | 28 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | trans | -69.4 | 137.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 851 | L | 30.8 | Very low | 26.3 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 44.3 | 98.4 | 142.3 | -74.1 | 143.4 | 0 | 0 | 0 | 116.3 | ||||
| 852 | N | 23.9 | Very low | 25.4 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -174.6 | 90.5 | 137.8 | -92.1 | -18.4 | 0 | 0 | 0 | 111.1 | ||||
| 853 | H | 22.9 | Very low | 25.2 | Very low | 207 Ų | 207 | 144.6 Ų | 144.6 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | trans | -143.9 | 67.7 | 142.6 | -88.4 | -54.4 | 0 | 0 | 0 | 107.8 | ||||
| 854 | T | 22.8 | Very low | 25.3 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | trans | -69.9 | 138.7 | 152.8 | 36.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 855 | A | 24.5 | Very low | 25 | Very low | 83 Ų | 83 | 148.8 Ų | 148.8 | 69% | 0.686 | 82% | 0.819 | S | S | * | * | trans | -44.7 | 132.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 856 | N | 21.5 | Very low | 25 | Very low | 169 Ų | 169 | 149.1 Ų | 149.1 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | trans | -103.4 | 88 | 153.9 | -88.9 | -10.7 | 0 | 0 | 0 | 107.3 | ||||
| 857 | Y | 24.7 | Very low | 25.1 | Very low | 213 Ų | 213 | 149.5 Ų | 149.5 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -93.3 | 108.7 | 148 | -91.8 | -86.9 | 0 | 0 | 0 | 105.8 | ||||
| 858 | D | 22.4 | Very low | 24.9 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | 176.4 | 150.8 | 135 | -93.8 | -24 | 0 | 0 | 0 | 110.9 | ||||
| 859 | V | 24.6 | Very low | 24.8 | Very low | 132 Ų | 132 | 151.6 Ų | 151.6 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | trans | 86.2 | 89.2 | 175.8 | -161.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 860 | L | 25.3 | Very low | 24.7 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | -170.4 | 83.9 | 117.4 | -93.8 | 163.4 | 0 | 0 | 0 | 108.9 | |||||
| 861 | A | 22.6 | Very low | 24.8 | Very low | 87 Ų | 87 | 157.8 Ų | 157.8 | 72% | 0.719 | 85% | 0.845 | S | S | * | * | trans | -112.3 | 142.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 862 | N | 22.8 | Very low | 24.3 | Very low | 150 Ų | 150 | 157.8 Ų | 157.8 | 80% | 0.802 | 85% | 0.846 | S | S | * | * | trans | 91.6 | 94.6 | -176 | -53.9 | -19.7 | 0 | 0 | 0 | 114.4 | ||||
| 863 | E | 25.6 | Very low | 24.4 | Very low | 186 Ų | 186 | 159.3 Ų | 159.3 | 87% | 0.869 | 86% | 0.855 | S | S | * | * | -170.6 | 119.6 | 96.8 | -94.8 | 174 | -175.1 | 0 | 0 | 110.6 | |||||
| 864 | I | 32.7 | Very low | 24.5 | Very low | 243 Ų | 243 | 155 Ų | 155 | 100% | 1.246 | 85% | 0.845 | S | S | * | * | trans | 74.1 | 0 | 168 | -49 | -179.7 | 0 | 0 | 0 | 117.9 |
Retrieved 864 of 864 residues in 4903.4 ms
(Link to these results)