| 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 | 75.3 | Confident | 93.7 | Very high | 141 Ų | 141 | 56.7 Ų | 56.7 | 70% | 0.695 | 31% | 0.314 | S | S | * | . | 0 | 133.5 | 0 | -70 | -177.9 | 78.9 | 0 | 0 | 108.8 | D5 L6 Q9 | M1-D5 HydrophobicContact CB-CB 4.16Å; M1-D5 HydrophobicContact CE-CB 3.74Å; M1-L6 HydrophobicContact CB-CD2 4.34Å; M1-L6 HydrophobicContact CB-CG 4.17Å; M1-L6 HydrophobicContact CE-CD2 4.45Å; M1-L6 HydrophobicContact SD-CD2 4.29Å; M1-Q9 HydrophobicContact CE-CB 4.43Å | |||
| 2 | S | 92.2 | Very high | 94 | Very high | 56 Ų | 56 | 62 Ų | 62 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | trans | -71.8 | 165.8 | 172.7 | 71.1 | 0 | 0 | 0 | 0 | 111 | A4 D5 L6 | S2-A4 PolarHBondContact O-N 3.19Å; S2-A4 PolarHBondContact OG-N 3.34Å; S2-D5 WeakPolarHBondContact CB-OD2 3.3Å; S2-D5 PolarHBondContact N-OD2 3.39Å; S2-D5 PolarHBondContact O-N 3.46Å; S2-D5 PolarHBondContact OG-N 3.46Å; S2-D5 VanDerWaalsContact OG-N 3.11Å; S2-D5 PolarHBondContact OG-OD1 3.33Å; S2-D5 PolarHBondContact OG-OD2 2.97Å; S2-L6 WeakPolarHBondContact O-CG 3.21Å; S2-L6 PolarHBondContact O-N 3.06Å; S2-L6 VanDerWaalsContact O-N 3.12Å | ||
| 3 | A | 92.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 64 Ų | 64 | 13% | 0.132 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.3 | -34.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L6 K7 K32 D33 F39 | A3-L6 PolarHBondContact O-N 3.08Å; A3-K7 PolarHBondContact O-N 3.48Å; A3-K32 HydrophobicContact CB-CB 3.91Å; A3-D33 HydrophobicContact CB-CB 3.88Å; A3-F39 HydrophobicContact CB-CE2 4.12Å; A3-F39 HydrophobicContact CB-CZ 3.88Å |
| 4 | A | 93.9 | Very high | 94.6 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S2 L6 K7 L8 | S2-A4 PolarHBondContact O-N 3.19Å; S2-A4 PolarHBondContact OG-N 3.34Å; A4-L6 VanDerWaalsContact C-N 3.34Å; A4-L6 PolarHBondContact O-N 3.02Å; A4-K7 WeakPolarHBondContact O-CB 3.43Å; A4-K7 PolarHBondContact O-N 2.94Å; A4-L8 WeakPolarHBondContact O-CG 3.26Å; A4-L8 PolarHBondContact O-N 3.33Å |
| 5 | D | 95.8 | Very high | 94.7 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 177 | -54.8 | -36.4 | 0 | 0 | 0 | 111.2 | M1 S2 K7 L8 Q9 | M1-D5 HydrophobicContact CB-CB 4.16Å; M1-D5 HydrophobicContact CE-CB 3.74Å; S2-D5 WeakPolarHBondContact CB-OD2 3.3Å; S2-D5 PolarHBondContact N-OD2 3.39Å; S2-D5 PolarHBondContact O-N 3.46Å; S2-D5 PolarHBondContact OG-N 3.46Å; S2-D5 VanDerWaalsContact OG-N 3.11Å; S2-D5 PolarHBondContact OG-OD1 3.33Å; S2-D5 PolarHBondContact OG-OD2 2.97Å; D5-K7 VanDerWaalsContact C-N 3.33Å; D5-K7 PolarHBondContact O-N 3Å; D5-L8 PolarHBondContact O-N 3.36Å; D5-Q9 WeakPolarHBondContact O-CB 3.28Å; D5-Q9 PolarHBondContact O-N 3.06Å |
| 6 | L | 96.7 | Very high | 94.9 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 176.9 | -71.4 | 166.5 | 0 | 0 | 0 | 111.5 | M1 S2 A3 A4 Q9 G10 K28 A29 K32 | M1-L6 HydrophobicContact CB-CD2 4.34Å; M1-L6 HydrophobicContact CB-CG 4.17Å; M1-L6 HydrophobicContact CE-CD2 4.45Å; M1-L6 HydrophobicContact SD-CD2 4.29Å; S2-L6 WeakPolarHBondContact O-CG 3.21Å; S2-L6 PolarHBondContact O-N 3.06Å; S2-L6 VanDerWaalsContact O-N 3.12Å; A3-L6 PolarHBondContact O-N 3.08Å; A4-L6 VanDerWaalsContact C-N 3.34Å; A4-L6 PolarHBondContact O-N 3.02Å; L6-Q9 PolarHBondContact O-N 3.31Å; L6-G10 PolarHBondContact O-N 3.5Å; L6-K28 HydrophobicContact CD1-CB 3.81Å; L6-K28 HydrophobicContact CD2-CB 4.07Å; L6-K28 HydrophobicContact CD2-CD 4.26Å; L6-K28 HydrophobicContact CG-CB 4.5Å; L6-A29 HydrophobicContact CB-CB 3.89Å; L6-K32 HydrophobicContact CD1-CG 4.21Å |
| 7 | K | 95.8 | Very high | 95 | Very high | 61 Ų | 61 | 67.5 Ų | 67.5 | 27% | 0.265 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 172.6 | -175.6 | -166.9 | 63.6 | -178.4 | 0 | 111.7 | A3 A4 D5 Q9 G10 N11 Y26 T38 F39 | A3-K7 PolarHBondContact O-N 3.48Å; A4-K7 WeakPolarHBondContact O-CB 3.43Å; A4-K7 PolarHBondContact O-N 2.94Å; D5-K7 VanDerWaalsContact C-N 3.33Å; D5-K7 PolarHBondContact O-N 3Å; K7-Q9 VanDerWaalsContact C-N 3.34Å; K7-G10 PolarHBondContact O-N 3.4Å; K7-N11 VanDerWaalsContact O-CG 3.24Å; K7-N11 PolarHBondContact O-N 3.4Å; K7-N11 PolarHBondContact O-OD1 3.47Å; K7-Y26 HydrophobicContact CG-CE1 4.26Å; K7-T38 HydrophobicContact CD-CG2 4.32Å; K7-F39 HydrophobicContact CB-CD1 4.03Å; K7-F39 HydrophobicContact CB-CE1 3.64Å; K7-F39 HydrophobicContact CD-CD1 4.12Å; K7-F39 HydrophobicContact CD-CE1 3.81Å; K7-F39 HydrophobicContact CG-CD1 4.02Å; K7-F39 HydrophobicContact CG-CE1 3.93Å |
| 8 | L | 96.9 | Very high | 95.1 | Very high | 94 Ų | 94 | 66.2 Ų | 66.2 | 49% | 0.492 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 178.6 | -72 | 172.3 | 0 | 0 | 0 | 111.4 | A4 D5 G10 N11 N12 | A4-L8 WeakPolarHBondContact O-CG 3.26Å; A4-L8 PolarHBondContact O-N 3.33Å; D5-L8 PolarHBondContact O-N 3.36Å; L8-G10 PolarHBondContact O-N 3.25Å; L8-N11 WeakPolarHBondContact O-CB 3.4Å; L8-N11 PolarHBondContact O-N 3.39Å; L8-N12 PolarHBondContact O-N 3.03Å |
| 9 | Q | 96.8 | Very high | 95.3 | Very high | 63 Ų | 63 | 64.7 Ų | 64.7 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 174.1 | -169 | -177.7 | 11.7 | 0 | 0 | 111.7 | M1 D5 L6 K7 N11 N12 Y13 | M1-Q9 HydrophobicContact CE-CB 4.43Å; D5-Q9 WeakPolarHBondContact O-CB 3.28Å; D5-Q9 PolarHBondContact O-N 3.06Å; L6-Q9 PolarHBondContact O-N 3.31Å; K7-Q9 VanDerWaalsContact C-N 3.34Å; Q9-N11 VanDerWaalsContact C-N 3.33Å; Q9-N11 PolarHBondContact O-N 2.82Å; Q9-N12 WeakPolarHBondContact O-CB 3.36Å; Q9-N12 PolarHBondContact O-N 3.13Å; Q9-Y13 HydrophobicContact CG-CD2 4.05Å; Q9-Y13 HydrophobicContact CG-CE2 3.65Å; Q9-Y13 VanDerWaalsContact O-CD2 3.27Å; Q9-Y13 WeakPolarHBondContact O-CD2 3.48Å; Q9-Y13 PolarHBondContact O-N 3.49Å |
| 10 | G | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L6 K7 L8 N12 Y13 F14 A22 Y26 | L6-G10 PolarHBondContact O-N 3.5Å; K7-G10 PolarHBondContact O-N 3.4Å; L8-G10 PolarHBondContact O-N 3.25Å; G10-N12 VanDerWaalsContact C-N 3.33Å; G10-N12 PolarHBondContact O-N 3.01Å; G10-Y13 PolarHBondContact O-N 3.4Å; G10-F14 WeakPolarHBondContact O-CB 3.22Å; G10-F14 PolarHBondContact O-N 2.68Å; G10-A22 WeakPolarHBondContact O-CB 3.4Å; G10-Y26 PolarHBondContact O-OH 2.99Å |
| 11 | N | 97.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 66.8 Ų | 66.8 | 31% | 0.31 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 175.2 | -69.9 | -4 | 0 | 0 | 0 | 111.7 | K7 L8 Q9 F14 A15 Y26 N42 | K7-N11 VanDerWaalsContact O-CG 3.24Å; K7-N11 PolarHBondContact O-N 3.4Å; K7-N11 PolarHBondContact O-OD1 3.47Å; L8-N11 WeakPolarHBondContact O-CB 3.4Å; L8-N11 PolarHBondContact O-N 3.39Å; Q9-N11 VanDerWaalsContact C-N 3.33Å; Q9-N11 PolarHBondContact O-N 2.82Å; N11-F14 PolarHBondContact O-N 3.19Å; N11-A15 WeakPolarHBondContact O-CB 3.47Å; N11-A15 PolarHBondContact O-N 3.38Å; N11-Y26 WeakPolarHBondContact CA-OH 3.29Å; N11-Y26 PolarHBondContact N-OH 3.39Å; N11-Y26 PolarHBondContact OD1-OH 3.18Å; N11-N42 PolarHBondContact OD1-ND2 2.92Å |
| 12 | N | 97.8 | Very high | 96.6 | Very high | 120 Ų | 120 | 60 Ų | 60 | 64% | 0.642 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.8 | -44.8 | 176.6 | -68.2 | -17 | 0 | 0 | 0 | 111.5 | L8 Q9 G10 F14 A15 G16 | L8-N12 PolarHBondContact O-N 3.03Å; Q9-N12 WeakPolarHBondContact O-CB 3.36Å; Q9-N12 PolarHBondContact O-N 3.13Å; G10-N12 VanDerWaalsContact C-N 3.33Å; G10-N12 PolarHBondContact O-N 3.01Å; N12-F14 VanDerWaalsContact C-N 3.33Å; N12-F14 PolarHBondContact O-N 2.85Å; N12-A15 PolarHBondContact O-N 2.98Å; N12-G16 PolarHBondContact O-N 3.47Å |
| 13 | Y | 98.1 | Very high | 96.9 | Very high | 88 Ų | 88 | 58 Ų | 58 | 35% | 0.345 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 173.5 | -75.4 | -58.8 | 0 | 0 | 0 | 112.1 | Q9 G10 A15 G16 H17 S18 E21 | Q9-Y13 HydrophobicContact CG-CD2 4.05Å; Q9-Y13 HydrophobicContact CG-CE2 3.65Å; Q9-Y13 VanDerWaalsContact O-CD2 3.27Å; Q9-Y13 WeakPolarHBondContact O-CD2 3.48Å; Q9-Y13 PolarHBondContact O-N 3.49Å; G10-Y13 PolarHBondContact O-N 3.4Å; Y13-A15 PolarHBondContact O-N 3.33Å; Y13-G16 CarbonylContact O-C 3.49Å; Y13-G16 WeakPolarHBondContact O-CA 3.47Å; Y13-G16 PolarHBondContact O-N 2.94Å; Y13-G16 VanDerWaalsContact O-N 3.14Å; Y13-H17 PolarHBondContact O-N 2.94Å; Y13-S18 WeakPolarHBondContact O-CB 3.46Å; Y13-S18 PolarHBondContact O-N 3.36Å; Y13-E21 HydrophobicContact CD1-CB 3.68Å; Y13-E21 HydrophobicContact CD1-CG 4.35Å; Y13-E21 HydrophobicContact CD2-CB 3.94Å; Y13-E21 HydrophobicContact CE1-CB 3.99Å; Y13-E21 HydrophobicContact CE1-CG 4.34Å; Y13-E21 HydrophobicContact CE2-CB 4.21Å; Y13-E21 HydrophobicContact CG-CB 3.68Å |
| 14 | F | 97.4 | Very high | 97.2 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 23% | 0.232 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 175.5 | -176.9 | -90.8 | 0 | 0 | 0 | 112.1 | G10 N11 N12 G16 H17 Y19 A22 L45 C46 H49 | G10-F14 WeakPolarHBondContact O-CB 3.22Å; G10-F14 PolarHBondContact O-N 2.68Å; N11-F14 PolarHBondContact O-N 3.19Å; N12-F14 VanDerWaalsContact C-N 3.33Å; N12-F14 PolarHBondContact O-N 2.85Å; F14-G16 PolarHBondContact O-N 3.19Å; F14-H17 PolarHBondContact O-N 3.31Å; F14-Y19 AromaticContact CD2-CD1 3.83Å; F14-Y19 HydrophobicContact CD2-CD1 3.83Å; F14-Y19 AromaticContact CD2-CE1 3.91Å; F14-Y19 HydrophobicContact CD2-CE1 3.91Å; F14-Y19 AromaticContact CE2-CD1 3.93Å; F14-Y19 HydrophobicContact CE2-CD1 3.93Å; F14-Y19 AromaticContact CE2-CE1 3.71Å; F14-Y19 HydrophobicContact CE2-CE1 3.71Å; F14-Y19 HydrophobicContact CZ-CE1 4.32Å; F14-A22 HydrophobicContact CB-CB 4.25Å; F14-L45 HydrophobicContact CE1-CD2 4.19Å; F14-L45 HydrophobicContact CE2-CD2 3.88Å; F14-L45 HydrophobicContact CE2-CG 3.79Å; F14-L45 HydrophobicContact CZ-CD2 3.45Å; F14-L45 VanDerWaalsContact CZ-CD2 3.45Å; F14-L45 HydrophobicContact CZ-CG 3.76Å; F14-C46 VanDerWaalsContact CD2-SG 3.56Å; F14-H49 AromaticContact CE2-CD2 3.81Å; F14-H49 AromaticContact CZ-CD2 3.94Å; F14-H49 AromaticContact CZ-NE2 3.83Å |
| 15 | A | 97.1 | Very high | 97.4 | Very high | 76 Ų | 76 | 60.2 Ų | 60.2 | 63% | 0.628 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63 | -30.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N11 N12 Y13 H17 | N11-A15 WeakPolarHBondContact O-CB 3.47Å; N11-A15 PolarHBondContact O-N 3.38Å; N12-A15 PolarHBondContact O-N 2.98Å; Y13-A15 PolarHBondContact O-N 3.33Å; A15-H17 VanDerWaalsContact C-N 3.28Å; A15-H17 PolarHBondContact O-N 3.44Å |
| 16 | G | 97.4 | Very high | 97.5 | Very high | 50 Ų | 50 | 57 Ų | 57 | 52% | 0.515 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 7.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N12 Y13 F14 S18 | N12-G16 PolarHBondContact O-N 3.47Å; Y13-G16 CarbonylContact O-C 3.49Å; Y13-G16 WeakPolarHBondContact O-CA 3.47Å; Y13-G16 PolarHBondContact O-N 2.94Å; Y13-G16 VanDerWaalsContact O-N 3.14Å; F14-G16 PolarHBondContact O-N 3.19Å; G16-S18 PolarHBondContact O-N 3.45Å; G16-S18 VanDerWaalsContact O-N 3.13Å |
| 17 | H | 96.5 | Very high | 97.5 | Very high | 137 Ų | 137 | 58.6 Ų | 58.6 | 63% | 0.634 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 15.1 | -174.7 | -56.2 | -65.2 | 0 | 0 | 0 | 115.3 | Y13 F14 A15 Y19 | Y13-H17 PolarHBondContact O-N 2.94Å; F14-H17 PolarHBondContact O-N 3.31Å; A15-H17 VanDerWaalsContact C-N 3.28Å; A15-H17 PolarHBondContact O-N 3.44Å; H17-Y19 VanDerWaalsContact C-N 3.33Å; H17-Y19 HydrophobicContact CB-CE2 4.31Å; H17-Y19 AromaticContact ND1-CZ 3.82Å; H17-Y19 PolarHBondContact ND1-OH 3.02Å; H17-Y19 WeakPolarHBondContact O-CD2 3.32Å; H17-Y19 PolarHBondContact O-N 3.46Å; H17-Y19 VanDerWaalsContact O-N 3.12Å |
| 18 | S | 97.8 | Very high | 97.6 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | trans | -84.4 | 72.7 | 174.1 | -62.8 | 0 | 0 | 0 | 0 | 110 | Y13 G16 E20 E21 A22 | Y13-S18 WeakPolarHBondContact O-CB 3.46Å; Y13-S18 PolarHBondContact O-N 3.36Å; G16-S18 PolarHBondContact O-N 3.45Å; G16-S18 VanDerWaalsContact O-N 3.13Å; S18-E20 PolarHBondContact O-N 2.86Å; S18-E21 VanDerWaalsContact CB-OE2 3.3Å; S18-E21 WeakPolarHBondContact CB-OE2 3.46Å; S18-A22 WeakPolarHBondContact O-CB 3.44Å; S18-A22 PolarHBondContact O-N 2.85Å | ||
| 19 | Y | 98.1 | Very high | 97.7 | Very high | 38 Ų | 38 | 55.9 Ų | 55.9 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.9 | -32.8 | -170.7 | -56.8 | -61.2 | 0 | 0 | 0 | 113.7 | F14 H17 A22 I23 H49 L50 | F14-Y19 AromaticContact CD2-CD1 3.83Å; F14-Y19 HydrophobicContact CD2-CD1 3.83Å; F14-Y19 AromaticContact CD2-CE1 3.91Å; F14-Y19 HydrophobicContact CD2-CE1 3.91Å; F14-Y19 AromaticContact CE2-CD1 3.93Å; F14-Y19 HydrophobicContact CE2-CD1 3.93Å; F14-Y19 AromaticContact CE2-CE1 3.71Å; F14-Y19 HydrophobicContact CE2-CE1 3.71Å; F14-Y19 HydrophobicContact CZ-CE1 4.32Å; H17-Y19 VanDerWaalsContact C-N 3.33Å; H17-Y19 HydrophobicContact CB-CE2 4.31Å; H17-Y19 AromaticContact ND1-CZ 3.82Å; H17-Y19 PolarHBondContact ND1-OH 3.02Å; H17-Y19 WeakPolarHBondContact O-CD2 3.32Å; H17-Y19 PolarHBondContact O-N 3.46Å; H17-Y19 VanDerWaalsContact O-N 3.12Å; Y19-A22 PolarHBondContact O-N 2.89Å; Y19-I23 WeakPolarHBondContact O-CB 3.37Å; Y19-I23 WeakPolarHBondContact O-CD1 3.48Å; Y19-I23 WeakPolarHBondContact O-CG1 3.38Å; Y19-I23 PolarHBondContact O-N 2.72Å; Y19-H49 HydrophobicContact CD1-CB 4.03Å; Y19-H49 HydrophobicContact CD2-CB 3.91Å; Y19-H49 HydrophobicContact CE1-CB 3.83Å; Y19-H49 AromaticContact CE1-CD2 3.77Å; Y19-H49 AromaticContact CE1-CG 3.74Å; Y19-H49 HydrophobicContact CE2-CB 3.72Å; Y19-H49 HydrophobicContact CG-CB 4.07Å; Y19-H49 AromaticContact CZ-CG 3.63Å; Y19-H49 AromaticContact CZ-ND1 3.93Å; Y19-L50 HydrophobicContact CD2-CD2 4.08Å; Y19-L50 HydrophobicContact CD2-CG 4.48Å; Y19-L50 HydrophobicContact CG-CD2 4.48Å; Y19-L50 HydrophobicContact CG-CG 4.48Å |
| 20 | E | 98.1 | Very high | 97.7 | Very high | 80 Ų | 80 | 53.7 Ų | 53.7 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 179.7 | -69.8 | -75.8 | -152.1 | 0 | 0 | 111.8 | S18 A22 I23 H24 L50 R52 | S18-E20 PolarHBondContact O-N 2.86Å; E20-A22 VanDerWaalsContact C-N 3.32Å; E20-A22 PolarHBondContact O-N 3.22Å; E20-I23 WeakPolarHBondContact O-CB 3.33Å; E20-I23 PolarHBondContact O-N 2.92Å; E20-H24 PolarHBondContact O-N 3.44Å; E20-L50 HydrophobicContact CG-CD1 4Å; E20-R52 IonicContact OE1-CZ 3.24Å; E20-R52 IonicContact OE1-NH1 3.85Å; E20-R52 PolarHBondContact OE1-NH1 3.05Å; E20-R52 IonicContact OE1-NH2 3.45Å; E20-R52 PolarHBondContact OE1-NH2 3.48Å; E20-R52 IonicContact OE2-CZ 2.7Å; E20-R52 IonicContact OE2-NH1 3.82Å; E20-R52 PolarHBondContact OE2-NH1 3.39Å |
| 21 | E | 97.8 | Very high | 97.7 | Very high | 92 Ų | 92 | 59.3 Ų | 59.3 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 175 | -64.6 | 79.4 | 179.9 | 0 | 0 | 110.7 | Y13 S18 H24 C25 | Y13-E21 HydrophobicContact CD1-CB 3.68Å; Y13-E21 HydrophobicContact CD1-CG 4.35Å; Y13-E21 HydrophobicContact CD2-CB 3.94Å; Y13-E21 HydrophobicContact CE1-CB 3.99Å; Y13-E21 HydrophobicContact CE1-CG 4.34Å; Y13-E21 HydrophobicContact CE2-CB 4.21Å; Y13-E21 HydrophobicContact CG-CB 3.68Å; S18-E21 VanDerWaalsContact CB-OE2 3.3Å; S18-E21 WeakPolarHBondContact CB-OE2 3.46Å; E21-H24 WeakPolarHBondContact O-CB 3.28Å; E21-H24 PolarHBondContact O-N 3.5Å; E21-C25 PolarHBondContact O-N 3.04Å |
| 22 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G10 F14 S18 Y19 E20 H24 C25 Y26 | G10-A22 WeakPolarHBondContact O-CB 3.4Å; F14-A22 HydrophobicContact CB-CB 4.25Å; S18-A22 WeakPolarHBondContact O-CB 3.44Å; S18-A22 PolarHBondContact O-N 2.85Å; Y19-A22 PolarHBondContact O-N 2.89Å; E20-A22 VanDerWaalsContact C-N 3.32Å; E20-A22 PolarHBondContact O-N 3.22Å; A22-H24 VanDerWaalsContact C-N 3.31Å; A22-H24 PolarHBondContact O-N 3.29Å; A22-C25 PolarHBondContact O-N 3.45Å; A22-Y26 HydrophobicContact CB-CD2 4.4Å; A22-Y26 HydrophobicContact CB-CE2 3.89Å; A22-Y26 WeakPolarHBondContact O-CD2 3.42Å; A22-Y26 PolarHBondContact O-N 2.79Å |
| 23 | I | 98.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 175.4 | -74.5 | 159.9 | 0 | 0 | 0 | 111.2 | Y19 E20 Y26 T27 R43 C46 Y47 L50 | Y19-I23 WeakPolarHBondContact O-CB 3.37Å; Y19-I23 WeakPolarHBondContact O-CD1 3.48Å; Y19-I23 WeakPolarHBondContact O-CG1 3.38Å; Y19-I23 PolarHBondContact O-N 2.72Å; E20-I23 WeakPolarHBondContact O-CB 3.33Å; E20-I23 PolarHBondContact O-N 2.92Å; I23-Y26 PolarHBondContact O-N 2.98Å; I23-T27 VanDerWaalsContact O-CB 3.29Å; I23-T27 WeakPolarHBondContact O-CB 3.23Å; I23-T27 PolarHBondContact O-N 3.42Å; I23-T27 PolarHBondContact O-OG1 3.35Å; I23-R43 HydrophobicContact CB-CG 4.39Å; I23-R43 HydrophobicContact CG1-CG 4.05Å; I23-R43 HydrophobicContact CG2-CG 4.18Å; I23-C46 HydrophobicContact CD1-CB 3.76Å; I23-C46 HydrophobicContact CG1-CB 3.47Å; I23-C46 VanDerWaalsContact CG1-CB 3.47Å; I23-Y47 HydrophobicContact CD1-CD1 3.61Å; I23-Y47 HydrophobicContact CD1-CE1 3.58Å; I23-Y47 HydrophobicContact CD1-CG 4.49Å; I23-Y47 HydrophobicContact CG1-CD1 4.33Å; I23-Y47 HydrophobicContact CG1-CE1 4.09Å; I23-Y47 HydrophobicContact CG2-CE1 4.02Å; I23-L50 HydrophobicContact CD1-CD1 3.47Å; I23-L50 VanDerWaalsContact CD1-CD1 3.47Å |
| 24 | H | 97.8 | Very high | 97.4 | Very high | 110 Ų | 110 | 59.3 Ų | 59.3 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 177.1 | -172.4 | 48.8 | 0 | 0 | 0 | 111.9 | E20 E21 A22 T27 K28 | E20-H24 PolarHBondContact O-N 3.44Å; E21-H24 WeakPolarHBondContact O-CB 3.28Å; E21-H24 PolarHBondContact O-N 3.5Å; A22-H24 VanDerWaalsContact C-N 3.31Å; A22-H24 PolarHBondContact O-N 3.29Å; H24-T27 PolarHBondContact O-N 2.89Å; H24-K28 WeakPolarHBondContact CE1-CE 3.33Å; H24-K28 VanDerWaalsContact NE2-CE 3.28Å; H24-K28 WeakPolarHBondContact NE2-CE 3.31Å; H24-K28 PolarHBondContact NE2-NZ 2.86Å; H24-K28 WeakPolarHBondContact O-CG 3.48Å; H24-K28 PolarHBondContact O-N 3.33Å |
| 25 | C | 97.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.034 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 176.2 | -76.6 | 0 | 0 | 0 | 0 | 112.3 | E21 A22 T27 K28 A29 | E21-C25 PolarHBondContact O-N 3.04Å; A22-C25 PolarHBondContact O-N 3.45Å; C25-T27 VanDerWaalsContact C-N 3.35Å; C25-T27 PolarHBondContact O-N 2.85Å; C25-K28 PolarHBondContact O-N 2.95Å; C25-A29 PolarHBondContact O-N 3.22Å |
| 26 | Y | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 177.3 | -62 | -49.3 | 0 | 0 | 0 | 112.5 | K7 G10 N11 A22 I23 K28 A29 I30 N42 R43 | K7-Y26 HydrophobicContact CG-CE1 4.26Å; G10-Y26 PolarHBondContact O-OH 2.99Å; N11-Y26 WeakPolarHBondContact CA-OH 3.29Å; N11-Y26 PolarHBondContact N-OH 3.39Å; N11-Y26 PolarHBondContact OD1-OH 3.18Å; A22-Y26 HydrophobicContact CB-CD2 4.4Å; A22-Y26 HydrophobicContact CB-CE2 3.89Å; A22-Y26 WeakPolarHBondContact O-CD2 3.42Å; A22-Y26 PolarHBondContact O-N 2.79Å; I23-Y26 PolarHBondContact O-N 2.98Å; Y26-K28 VanDerWaalsContact C-N 3.35Å; Y26-K28 PolarHBondContact O-N 3.43Å; Y26-A29 WeakPolarHBondContact O-CB 3.4Å; Y26-A29 PolarHBondContact O-N 3.43Å; Y26-A29 VanDerWaalsContact O-N 3.11Å; Y26-I30 VanDerWaalsContact O-CG1 3.31Å; Y26-I30 WeakPolarHBondContact O-CG1 3.38Å; Y26-I30 PolarHBondContact O-N 3.02Å; Y26-N42 HydrophobicContact CD1-CB 4.06Å; Y26-N42 HydrophobicContact CD2-CB 4.16Å; Y26-N42 HydrophobicContact CE1-CB 3.7Å; Y26-N42 HydrophobicContact CE2-CB 3.82Å; Y26-N42 HydrophobicContact CG-CB 4.29Å; Y26-R43 HydrophobicContact CD2-CB 4.2Å; Y26-R43 HydrophobicContact CG-CB 4.41Å |
| 27 | T | 98.1 | Very high | 97.2 | Very high | 46 Ų | 46 | 60.1 Ų | 60.1 | 28% | 0.282 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 176 | -60 | 0 | 0 | 0 | 0 | 111.1 | I23 H24 C25 A29 I30 V31 R43 | I23-T27 VanDerWaalsContact O-CB 3.29Å; I23-T27 WeakPolarHBondContact O-CB 3.23Å; I23-T27 PolarHBondContact O-N 3.42Å; I23-T27 PolarHBondContact O-OG1 3.35Å; H24-T27 PolarHBondContact O-N 2.89Å; C25-T27 VanDerWaalsContact C-N 3.35Å; C25-T27 PolarHBondContact O-N 2.85Å; T27-A29 VanDerWaalsContact C-N 3.31Å; T27-A29 PolarHBondContact O-N 3.18Å; T27-I30 PolarHBondContact O-N 3.44Å; T27-V31 WeakPolarHBondContact O-CG2 3.32Å; T27-V31 PolarHBondContact O-N 3.49Å; T27-V31 VanDerWaalsContact O-N 3.11Å; T27-R43 WeakPolarHBondContact OG1-CD 3.31Å; T27-R43 PolarHBondContact OG1-NH1 3.5Å |
| 28 | K | 97.9 | Very high | 97.3 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 43% | 0.426 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.7 | -37.3 | 171.8 | -69.4 | 179 | -176.6 | 176.2 | 0 | 112.3 | L6 H24 C25 Y26 V31 K32 | L6-K28 HydrophobicContact CD1-CB 3.81Å; L6-K28 HydrophobicContact CD2-CB 4.07Å; L6-K28 HydrophobicContact CD2-CD 4.26Å; L6-K28 HydrophobicContact CG-CB 4.5Å; H24-K28 WeakPolarHBondContact CE1-CE 3.33Å; H24-K28 VanDerWaalsContact NE2-CE 3.28Å; H24-K28 WeakPolarHBondContact NE2-CE 3.31Å; H24-K28 PolarHBondContact NE2-NZ 2.86Å; H24-K28 WeakPolarHBondContact O-CG 3.48Å; H24-K28 PolarHBondContact O-N 3.33Å; C25-K28 PolarHBondContact O-N 2.95Å; Y26-K28 VanDerWaalsContact C-N 3.35Å; Y26-K28 PolarHBondContact O-N 3.43Å; K28-V31 PolarHBondContact O-N 2.82Å; K28-K32 WeakPolarHBondContact O-CG 3.48Å; K28-K32 PolarHBondContact O-N 3.33Å |
| 29 | A | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L6 C25 Y26 T27 V31 K32 D33 F39 | L6-A29 HydrophobicContact CB-CB 3.89Å; C25-A29 PolarHBondContact O-N 3.22Å; Y26-A29 WeakPolarHBondContact O-CB 3.4Å; Y26-A29 PolarHBondContact O-N 3.43Å; Y26-A29 VanDerWaalsContact O-N 3.11Å; T27-A29 VanDerWaalsContact C-N 3.31Å; T27-A29 PolarHBondContact O-N 3.18Å; A29-V31 PolarHBondContact O-N 3.2Å; A29-K32 WeakPolarHBondContact O-CB 3.5Å; A29-K32 PolarHBondContact O-N 3.27Å; A29-D33 PolarHBondContact O-N 3.49Å; A29-F39 HydrophobicContact CB-CD1 3.99Å; A29-F39 HydrophobicContact CB-CD2 4.04Å; A29-F39 HydrophobicContact CB-CE1 4.12Å; A29-F39 HydrophobicContact CB-CE2 4.16Å; A29-F39 HydrophobicContact CB-CG 3.97Å; A29-F39 HydrophobicContact CB-CZ 4.21Å |
| 30 | I | 97.5 | Very high | 97.3 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 176 | -69.4 | 162.8 | 0 | 0 | 0 | 111.3 | Y26 T27 K32 D33 P34 F39 F40 R43 | Y26-I30 VanDerWaalsContact O-CG1 3.31Å; Y26-I30 WeakPolarHBondContact O-CG1 3.38Å; Y26-I30 PolarHBondContact O-N 3.02Å; T27-I30 PolarHBondContact O-N 3.44Å; I30-K32 PolarHBondContact O-N 2.94Å; I30-D33 CarbonylContact O-C 3.43Å; I30-D33 PolarHBondContact O-N 2.91Å; I30-P34 VanDerWaalsContact O-CA 3.29Å; I30-P34 WeakPolarHBondContact O-CA 3.43Å; I30-P34 VanDerWaalsContact O-N 3.14Å; I30-F39 HydrophobicContact CD1-CB 4.27Å; I30-F39 HydrophobicContact CG1-CB 3.57Å; I30-F39 HydrophobicContact CG1-CD2 4.41Å; I30-F39 HydrophobicContact CG1-CG 4.45Å; I30-F40 HydrophobicContact CB-CZ 4.46Å; I30-F40 HydrophobicContact CD1-CD1 3.89Å; I30-F40 HydrophobicContact CD1-CE1 3.91Å; I30-F40 HydrophobicContact CD1-CG 4.27Å; I30-F40 HydrophobicContact CD1-CZ 4.31Å; I30-F40 HydrophobicContact CG1-CD1 4.47Å; I30-F40 HydrophobicContact CG1-CD2 4.47Å; I30-F40 HydrophobicContact CG1-CE1 4.24Å; I30-F40 HydrophobicContact CG1-CE2 4.23Å; I30-F40 HydrophobicContact CG1-CZ 4.12Å; I30-F40 HydrophobicContact CG2-CE1 3.87Å; I30-F40 HydrophobicContact CG2-CE2 4.24Å; I30-F40 HydrophobicContact CG2-CZ 3.52Å; I30-R43 VanDerWaalsContact CD1-CZ 3.46Å |
| 31 | V | 97.1 | Very high | 97.2 | Very high | 118 Ų | 118 | 49.9 Ų | 49.9 | 72% | 0.715 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.7 | -30.4 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | T27 K28 A29 | T27-V31 WeakPolarHBondContact O-CG2 3.32Å; T27-V31 PolarHBondContact O-N 3.49Å; T27-V31 VanDerWaalsContact O-N 3.11Å; K28-V31 PolarHBondContact O-N 2.82Å; A29-V31 PolarHBondContact O-N 3.2Å |
| 32 | K | 96.5 | Very high | 97.3 | Very high | 144 Ų | 144 | 46.8 Ų | 46.8 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -83.1 | -35.4 | 179.8 | -71 | -67.3 | -175.6 | -175.1 | 0 | 113.4 | A3 L6 K28 A29 I30 | A3-K32 HydrophobicContact CB-CB 3.91Å; L6-K32 HydrophobicContact CD1-CG 4.21Å; K28-K32 WeakPolarHBondContact O-CG 3.48Å; K28-K32 PolarHBondContact O-N 3.33Å; A29-K32 WeakPolarHBondContact O-CB 3.5Å; A29-K32 PolarHBondContact O-N 3.27Å; I30-K32 PolarHBondContact O-N 2.94Å |
| 33 | D | 95.6 | Very high | 97.3 | Very high | 55 Ų | 55 | 48.4 Ų | 48.4 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | trans | -147.4 | 89.8 | -179.8 | 169.1 | 23.4 | 0 | 0 | 0 | 109 | A3 A29 I30 E35 N36 F39 | A3-D33 HydrophobicContact CB-CB 3.88Å; A29-D33 PolarHBondContact O-N 3.49Å; I30-D33 CarbonylContact O-C 3.43Å; I30-D33 PolarHBondContact O-N 2.91Å; D33-E35 VanDerWaalsContact C-N 3.29Å; D33-E35 PolarHBondContact O-N 3.1Å; D33-E35 PolarHBondContact OD1-N 3.33Å; D33-N36 WeakPolarHBondContact OD2-CB 3.32Å; D33-F39 HydrophobicContact CB-CE2 3.91Å; D33-F39 WeakPolarHBondContact O-CD2 3.39Å; D33-F39 WeakPolarHBondContact O-CE2 3.25Å | ||
| 34 | P | 95.5 | Very high | 97.3 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 43% | 0.429 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -9.1 | -174.3 | 31 | -35.8 | 0 | 0 | 0 | 113.9 | I30 N36 F40 L66 | I30-P34 VanDerWaalsContact O-CA 3.29Å; I30-P34 WeakPolarHBondContact O-CA 3.43Å; I30-P34 VanDerWaalsContact O-N 3.14Å; P34-N36 VanDerWaalsContact C-N 3.35Å; P34-F40 WeakPolarHBondContact O-CE2 3.37Å; P34-L66 WeakPolarHBondContact O-CD1 3.46Å |
| 35 | E | 95.5 | Very high | 97.3 | Very high | 138 Ų | 138 | 44.4 Ų | 44.4 | 65% | 0.645 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -9 | -177.6 | -65.2 | -58.7 | 129.7 | 0 | 0 | 112.4 | D33 A37 L66 | D33-E35 VanDerWaalsContact C-N 3.29Å; D33-E35 PolarHBondContact O-N 3.1Å; D33-E35 PolarHBondContact OD1-N 3.33Å; E35-A37 PolarHBondContact O-N 3.34Å; E35-L66 WeakPolarHBondContact OE2-CD2 3.25Å |
| 36 | N | 95.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 44.2 Ų | 44.2 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | trans | -86.8 | 99.2 | -178.7 | -166.2 | -26.2 | 0 | 0 | 0 | 112.1 | D33 P34 T38 F39 | D33-N36 WeakPolarHBondContact OD2-CB 3.32Å; P34-N36 VanDerWaalsContact C-N 3.35Å; N36-T38 PolarHBondContact O-N 3.27Å; N36-T38 WeakPolarHBondContact OD1-CB 3.43Å; N36-T38 PolarHBondContact OD1-N 2.89Å; N36-T38 VanDerWaalsContact OD1-N 3.09Å; N36-T38 PolarHBondContact OD1-OG1 3.21Å; N36-F39 HydrophobicContact CB-CD2 3.68Å; N36-F39 HydrophobicContact CB-CE2 3.46Å; N36-F39 VanDerWaalsContact CB-CE2 3.46Å; N36-F39 HydrophobicContact CB-CG 4.37Å; N36-F39 HydrophobicContact CB-CZ 3.99Å; N36-F39 WeakPolarHBondContact ND2-CZ 3.33Å; N36-F39 PolarHBondContact O-N 3.33Å; N36-F39 VanDerWaalsContact O-N 3.16Å | ||
| 37 | A | 96.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -49.7 | -29.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E35 F39 F40 T41 A63 L66 N67 | E35-A37 PolarHBondContact O-N 3.34Å; A37-F39 VanDerWaalsContact C-N 3.32Å; A37-F39 PolarHBondContact O-N 3.3Å; A37-F40 PolarHBondContact O-N 2.97Å; A37-T41 PolarHBondContact O-N 3.28Å; A37-T41 PolarHBondContact O-OG1 3.01Å; A37-A63 HydrophobicContact CB-CB 4.45Å; A37-L66 HydrophobicContact CB-CB 3.87Å; A37-N67 HydrophobicContact CB-CB 3.74Å |
| 38 | T | 96.7 | Very high | 97.4 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 37% | 0.368 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.3 | -39.7 | -177 | -48.9 | 0 | 0 | 0 | 0 | 111.9 | K7 N36 F40 T41 N42 | K7-T38 HydrophobicContact CD-CG2 4.32Å; N36-T38 PolarHBondContact O-N 3.27Å; N36-T38 WeakPolarHBondContact OD1-CB 3.43Å; N36-T38 PolarHBondContact OD1-N 2.89Å; N36-T38 VanDerWaalsContact OD1-N 3.09Å; N36-T38 PolarHBondContact OD1-OG1 3.21Å; T38-F40 VanDerWaalsContact C-N 3.34Å; T38-F40 PolarHBondContact O-N 3.47Å; T38-T41 WeakPolarHBondContact CA-OG1 3.47Å; T38-T41 PolarHBondContact O-N 3.01Å; T38-T41 PolarHBondContact O-OG1 3.38Å; T38-N42 WeakPolarHBondContact O-CB 3.45Å; T38-N42 PolarHBondContact O-N 2.92Å; T38-N42 PolarHBondContact O-OD1 3.43Å |
| 39 | F | 97.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | -178.2 | -53.5 | -37.1 | 0 | 0 | 0 | 111.3 | A3 K7 A29 I30 D33 N36 A37 N42 R43 | A3-F39 HydrophobicContact CB-CE2 4.12Å; A3-F39 HydrophobicContact CB-CZ 3.88Å; K7-F39 HydrophobicContact CB-CD1 4.03Å; K7-F39 HydrophobicContact CB-CE1 3.64Å; K7-F39 HydrophobicContact CD-CD1 4.12Å; K7-F39 HydrophobicContact CD-CE1 3.81Å; K7-F39 HydrophobicContact CG-CD1 4.02Å; K7-F39 HydrophobicContact CG-CE1 3.93Å; A29-F39 HydrophobicContact CB-CD1 3.99Å; A29-F39 HydrophobicContact CB-CD2 4.04Å; A29-F39 HydrophobicContact CB-CE1 4.12Å; A29-F39 HydrophobicContact CB-CE2 4.16Å; A29-F39 HydrophobicContact CB-CG 3.97Å; A29-F39 HydrophobicContact CB-CZ 4.21Å; I30-F39 HydrophobicContact CD1-CB 4.27Å; I30-F39 HydrophobicContact CG1-CB 3.57Å; I30-F39 HydrophobicContact CG1-CD2 4.41Å; I30-F39 HydrophobicContact CG1-CG 4.45Å; D33-F39 HydrophobicContact CB-CE2 3.91Å; D33-F39 WeakPolarHBondContact O-CD2 3.39Å; D33-F39 WeakPolarHBondContact O-CE2 3.25Å; N36-F39 HydrophobicContact CB-CD2 3.68Å; N36-F39 HydrophobicContact CB-CE2 3.46Å; N36-F39 VanDerWaalsContact CB-CE2 3.46Å; N36-F39 HydrophobicContact CB-CG 4.37Å; N36-F39 HydrophobicContact CB-CZ 3.99Å; N36-F39 WeakPolarHBondContact ND2-CZ 3.33Å; N36-F39 PolarHBondContact O-N 3.33Å; N36-F39 VanDerWaalsContact O-N 3.16Å; A37-F39 VanDerWaalsContact C-N 3.32Å; A37-F39 PolarHBondContact O-N 3.3Å; F39-N42 PolarHBondContact O-N 3.4Å; F39-R43 WeakPolarHBondContact O-CB 3.45Å; F39-R43 PolarHBondContact O-N 3.25Å |
| 40 | F | 98.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64 | -46.3 | 174.3 | -63.3 | -85.6 | 0 | 0 | 0 | 111.5 | I30 P34 A37 T38 N42 R43 A44 K62 A63 L66 | I30-F40 HydrophobicContact CB-CZ 4.46Å; I30-F40 HydrophobicContact CD1-CD1 3.89Å; I30-F40 HydrophobicContact CD1-CE1 3.91Å; I30-F40 HydrophobicContact CD1-CG 4.27Å; I30-F40 HydrophobicContact CD1-CZ 4.31Å; I30-F40 HydrophobicContact CG1-CD1 4.47Å; I30-F40 HydrophobicContact CG1-CD2 4.47Å; I30-F40 HydrophobicContact CG1-CE1 4.24Å; I30-F40 HydrophobicContact CG1-CE2 4.23Å; I30-F40 HydrophobicContact CG1-CZ 4.12Å; I30-F40 HydrophobicContact CG2-CE1 3.87Å; I30-F40 HydrophobicContact CG2-CE2 4.24Å; I30-F40 HydrophobicContact CG2-CZ 3.52Å; P34-F40 WeakPolarHBondContact O-CE2 3.37Å; A37-F40 PolarHBondContact O-N 2.97Å; T38-F40 VanDerWaalsContact C-N 3.34Å; T38-F40 PolarHBondContact O-N 3.47Å; F40-N42 VanDerWaalsContact C-N 3.3Å; F40-N42 PolarHBondContact O-N 3.42Å; F40-R43 PolarHBondContact O-N 3.3Å; F40-A44 VanDerWaalsContact O-CB 3.32Å; F40-A44 WeakPolarHBondContact O-CB 3.36Å; F40-A44 PolarHBondContact O-N 3.27Å; F40-K62 HydrophobicContact CD1-CB 4.05Å; F40-K62 HydrophobicContact CD1-CG 3.8Å; F40-K62 HydrophobicContact CE1-CB 4.26Å; F40-K62 HydrophobicContact CE1-CG 3.55Å; F40-K62 HydrophobicContact CE2-CG 4.32Å; F40-K62 HydrophobicContact CG-CG 4.28Å; F40-K62 HydrophobicContact CZ-CG 3.83Å; F40-A63 HydrophobicContact CB-CB 3.85Å; F40-L66 HydrophobicContact CD2-CD1 3.79Å; F40-L66 HydrophobicContact CE2-CD1 3.56Å; F40-L66 HydrophobicContact CZ-CD1 4.46Å |
| 41 | T | 97.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.043 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 178.2 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | A37 T38 L45 A63 | A37-T41 PolarHBondContact O-N 3.28Å; A37-T41 PolarHBondContact O-OG1 3.01Å; T38-T41 WeakPolarHBondContact CA-OG1 3.47Å; T38-T41 PolarHBondContact O-N 3.01Å; T38-T41 PolarHBondContact O-OG1 3.38Å; T41-L45 PolarHBondContact O-N 2.95Å; T41-L45 VanDerWaalsContact O-N 3.12Å; T41-A63 HydrophobicContact CG2-CB 3.54Å |
| 42 | N | 98.1 | Very high | 97.5 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 15% | 0.15 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.7 | -40.7 | 178.1 | -74.7 | 9.3 | 0 | 0 | 0 | 111.3 | N11 Y26 T38 F39 F40 L45 C46 | N11-N42 PolarHBondContact OD1-ND2 2.92Å; Y26-N42 HydrophobicContact CD1-CB 4.06Å; Y26-N42 HydrophobicContact CD2-CB 4.16Å; Y26-N42 HydrophobicContact CE1-CB 3.7Å; Y26-N42 HydrophobicContact CE2-CB 3.82Å; Y26-N42 HydrophobicContact CG-CB 4.29Å; T38-N42 WeakPolarHBondContact O-CB 3.45Å; T38-N42 PolarHBondContact O-N 2.92Å; T38-N42 PolarHBondContact O-OD1 3.43Å; F39-N42 PolarHBondContact O-N 3.4Å; F40-N42 VanDerWaalsContact C-N 3.3Å; F40-N42 PolarHBondContact O-N 3.42Å; N42-L45 PolarHBondContact O-N 2.92Å; N42-C46 PolarHBondContact O-N 3.32Å; N42-C46 PolarHBondContact O-SG 3.04Å |
| 43 | R | 98.4 | Very high | 97.6 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -40.9 | 175.3 | -166 | 173.4 | 67.7 | 173.2 | 2.3 | 111.6 | I23 Y26 T27 I30 F39 F40 L45 C46 Y47 D59 | I23-R43 HydrophobicContact CB-CG 4.39Å; I23-R43 HydrophobicContact CG1-CG 4.05Å; I23-R43 HydrophobicContact CG2-CG 4.18Å; Y26-R43 HydrophobicContact CD2-CB 4.2Å; Y26-R43 HydrophobicContact CG-CB 4.41Å; T27-R43 WeakPolarHBondContact OG1-CD 3.31Å; T27-R43 PolarHBondContact OG1-NH1 3.5Å; I30-R43 VanDerWaalsContact CD1-CZ 3.46Å; F39-R43 WeakPolarHBondContact O-CB 3.45Å; F39-R43 PolarHBondContact O-N 3.25Å; F40-R43 PolarHBondContact O-N 3.3Å; R43-L45 VanDerWaalsContact C-N 3.31Å; R43-L45 PolarHBondContact O-N 3.03Å; R43-C46 WeakPolarHBondContact O-CB 3.38Å; R43-C46 PolarHBondContact O-N 3.32Å; R43-C46 VanDerWaalsContact O-N 3.09Å; R43-Y47 HydrophobicContact CG-CD2 4.22Å; R43-Y47 HydrophobicContact CG-CE2 3.66Å; R43-Y47 WeakPolarHBondContact O-CD2 3.5Å; R43-Y47 PolarHBondContact O-N 2.78Å; R43-D59 WeakPolarHBondContact CB-OD2 3.41Å; R43-D59 WeakPolarHBondContact CG-OD2 3.34Å; R43-D59 IonicContact CZ-OD1 3.13Å; R43-D59 IonicContact CZ-OD2 2.71Å; R43-D59 IonicContact NE-OD1 3.86Å; R43-D59 IonicContact NE-OD2 2.87Å; R43-D59 PolarHBondContact NE-OD2 3.17Å; R43-D59 IonicContact NH2-OD1 2.61Å; R43-D59 PolarHBondContact NH2-OD1 3.39Å; R43-D59 IonicContact NH2-OD2 2.9Å; R43-D59 PolarHBondContact NH2-OD2 2.88Å |
| 44 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.1 | -42 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F40 C46 Y47 L48 D59 C60 | F40-A44 VanDerWaalsContact O-CB 3.32Å; F40-A44 WeakPolarHBondContact O-CB 3.36Å; F40-A44 PolarHBondContact O-N 3.27Å; A44-C46 VanDerWaalsContact C-N 3.32Å; A44-C46 PolarHBondContact O-N 2.81Å; A44-Y47 WeakPolarHBondContact O-CB 3.49Å; A44-Y47 PolarHBondContact O-N 3.26Å; A44-L48 WeakPolarHBondContact O-CG 3.31Å; A44-L48 PolarHBondContact O-N 2.92Å; A44-D59 HydrophobicContact CB-CB 3.77Å; A44-C60 WeakPolarHBondContact CB-SG 3.49Å |
| 45 | L | 98.2 | Very high | 97.9 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 20% | 0.199 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 176 | -178.6 | 58.4 | 0 | 0 | 0 | 112 | F14 T41 N42 R43 L48 H49 F76 | F14-L45 HydrophobicContact CE1-CD2 4.19Å; F14-L45 HydrophobicContact CE2-CD2 3.88Å; F14-L45 HydrophobicContact CE2-CG 3.79Å; F14-L45 HydrophobicContact CZ-CD2 3.45Å; F14-L45 VanDerWaalsContact CZ-CD2 3.45Å; F14-L45 HydrophobicContact CZ-CG 3.76Å; T41-L45 PolarHBondContact O-N 2.95Å; T41-L45 VanDerWaalsContact O-N 3.12Å; N42-L45 PolarHBondContact O-N 2.92Å; R43-L45 VanDerWaalsContact C-N 3.31Å; R43-L45 PolarHBondContact O-N 3.03Å; L45-L48 WeakPolarHBondContact O-CB 3.31Å; L45-L48 PolarHBondContact O-N 2.87Å; L45-H49 PolarHBondContact O-CD2 2.99Å; L45-H49 VanDerWaalsContact O-CD2 3.24Å; L45-H49 PolarHBondContact O-N 3.19Å; L45-H49 VanDerWaalsContact O-N 3.15Å; L45-F76 HydrophobicContact CB-CD2 4.34Å; L45-F76 HydrophobicContact CB-CE2 3.92Å; L45-F76 HydrophobicContact CB-CZ 4.21Å; L45-F76 HydrophobicContact CD1-CD1 4.39Å; L45-F76 HydrophobicContact CD1-CE1 3.86Å; L45-F76 HydrophobicContact CD1-CE2 4.37Å; L45-F76 HydrophobicContact CD1-CZ 3.85Å; L45-F76 HydrophobicContact CD2-CE2 4.32Å; L45-F76 HydrophobicContact CD2-CZ 3.95Å; L45-F76 HydrophobicContact CG-CE2 4.43Å; L45-F76 HydrophobicContact CG-CZ 4.22Å |
| 46 | C | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 173.7 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | F14 I23 N42 R43 A44 L48 H49 L50 | F14-C46 VanDerWaalsContact CD2-SG 3.56Å; I23-C46 HydrophobicContact CD1-CB 3.76Å; I23-C46 HydrophobicContact CG1-CB 3.47Å; I23-C46 VanDerWaalsContact CG1-CB 3.47Å; N42-C46 PolarHBondContact O-N 3.32Å; N42-C46 PolarHBondContact O-SG 3.04Å; R43-C46 WeakPolarHBondContact O-CB 3.38Å; R43-C46 PolarHBondContact O-N 3.32Å; R43-C46 VanDerWaalsContact O-N 3.09Å; A44-C46 VanDerWaalsContact C-N 3.32Å; A44-C46 PolarHBondContact O-N 2.81Å; C46-L48 VanDerWaalsContact C-N 3.3Å; C46-L48 PolarHBondContact O-N 3.24Å; C46-H49 PolarHBondContact O-N 3.3Å; C46-H49 VanDerWaalsContact O-N 3.17Å; C46-L50 WeakPolarHBondContact O-CG 3.5Å; C46-L50 PolarHBondContact O-N 2.97Å |
| 47 | Y | 98.7 | Very high | 98.2 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 13% | 0.125 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -38.1 | 175.6 | -71.1 | -42.3 | 0 | 0 | 0 | 112.7 | I23 R43 A44 L50 K51 R52 D59 | I23-Y47 HydrophobicContact CD1-CD1 3.61Å; I23-Y47 HydrophobicContact CD1-CE1 3.58Å; I23-Y47 HydrophobicContact CD1-CG 4.49Å; I23-Y47 HydrophobicContact CG1-CD1 4.33Å; I23-Y47 HydrophobicContact CG1-CE1 4.09Å; I23-Y47 HydrophobicContact CG2-CE1 4.02Å; R43-Y47 HydrophobicContact CG-CD2 4.22Å; R43-Y47 HydrophobicContact CG-CE2 3.66Å; R43-Y47 WeakPolarHBondContact O-CD2 3.5Å; R43-Y47 PolarHBondContact O-N 2.78Å; A44-Y47 WeakPolarHBondContact O-CB 3.49Å; A44-Y47 PolarHBondContact O-N 3.26Å; Y47-L50 CarbonylContact O-C 3.51Å; Y47-L50 PolarHBondContact O-N 3.41Å; Y47-K51 PolarHBondContact O-N 2.94Å; Y47-R52 HydrophobicContact CD1-CB 4.1Å; Y47-R52 HydrophobicContact CG-CB 4.44Å; Y47-R52 PolarHBondContact O-N 3.29Å; Y47-D59 VanDerWaalsContact CE2-OD2 3.28Å; Y47-D59 WeakPolarHBondContact CE2-OD2 3.38Å |
| 48 | L | 98.2 | Very high | 98.2 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 12% | 0.12 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 173.1 | -73.1 | 175.5 | 0 | 0 | 0 | 112.1 | A44 L45 C46 L50 K51 F53 A56 F76 K79 A80 | A44-L48 WeakPolarHBondContact O-CG 3.31Å; A44-L48 PolarHBondContact O-N 2.92Å; L45-L48 WeakPolarHBondContact O-CB 3.31Å; L45-L48 PolarHBondContact O-N 2.87Å; C46-L48 VanDerWaalsContact C-N 3.3Å; C46-L48 PolarHBondContact O-N 3.24Å; L48-L50 VanDerWaalsContact C-N 3.26Å; L48-L50 PolarHBondContact O-N 3.47Å; L48-K51 PolarHBondContact O-N 3.37Å; L48-K51 VanDerWaalsContact O-N 3.09Å; L48-F53 HydrophobicContact CD2-CD1 4.03Å; L48-F53 HydrophobicContact CD2-CE1 4.45Å; L48-A56 HydrophobicContact CD2-CB 3.85Å; L48-A56 HydrophobicContact CG-CB 3.89Å; L48-F76 HydrophobicContact CD1-CB 3.84Å; L48-F76 HydrophobicContact CD1-CD1 4.04Å; L48-F76 HydrophobicContact CD1-CG 4.06Å; L48-K79 HydrophobicContact CD1-CB 4.22Å; L48-K79 HydrophobicContact CD1-CD 4.45Å; L48-K79 HydrophobicContact CD2-CB 4.3Å; L48-A80 HydrophobicContact CD2-CB 3.92Å |
| 49 | H | 98.1 | Very high | 98.3 | Very high | 94 Ų | 94 | 44.7 Ų | 44.7 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.9 | -32.6 | 176.6 | -79.6 | -71 | 0 | 0 | 0 | 112.8 | F14 Y19 L45 C46 K51 | F14-H49 AromaticContact CE2-CD2 3.81Å; F14-H49 AromaticContact CZ-CD2 3.94Å; F14-H49 AromaticContact CZ-NE2 3.83Å; Y19-H49 HydrophobicContact CD1-CB 4.03Å; Y19-H49 HydrophobicContact CD2-CB 3.91Å; Y19-H49 HydrophobicContact CE1-CB 3.83Å; Y19-H49 AromaticContact CE1-CD2 3.77Å; Y19-H49 AromaticContact CE1-CG 3.74Å; Y19-H49 HydrophobicContact CE2-CB 3.72Å; Y19-H49 HydrophobicContact CG-CB 4.07Å; Y19-H49 AromaticContact CZ-CG 3.63Å; Y19-H49 AromaticContact CZ-ND1 3.93Å; L45-H49 PolarHBondContact O-CD2 2.99Å; L45-H49 VanDerWaalsContact O-CD2 3.24Å; L45-H49 PolarHBondContact O-N 3.19Å; L45-H49 VanDerWaalsContact O-N 3.15Å; C46-H49 PolarHBondContact O-N 3.3Å; C46-H49 VanDerWaalsContact O-N 3.17Å; H49-K51 VanDerWaalsContact C-N 3.29Å |
| 50 | L | 98.2 | Very high | 98.4 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 28% | 0.283 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 4.8 | 175.1 | -65.1 | 179 | 0 | 0 | 0 | 114 | Y19 E20 I23 C46 Y47 L48 R52 | Y19-L50 HydrophobicContact CD2-CD2 4.08Å; Y19-L50 HydrophobicContact CD2-CG 4.48Å; Y19-L50 HydrophobicContact CG-CD2 4.48Å; Y19-L50 HydrophobicContact CG-CG 4.48Å; E20-L50 HydrophobicContact CG-CD1 4Å; I23-L50 HydrophobicContact CD1-CD1 3.47Å; I23-L50 VanDerWaalsContact CD1-CD1 3.47Å; C46-L50 WeakPolarHBondContact O-CG 3.5Å; C46-L50 PolarHBondContact O-N 2.97Å; Y47-L50 CarbonylContact O-C 3.51Å; Y47-L50 PolarHBondContact O-N 3.41Å; L48-L50 VanDerWaalsContact C-N 3.26Å; L48-L50 PolarHBondContact O-N 3.47Å; L50-R52 HydrophobicContact CB-CG 4.26Å; L50-R52 PolarHBondContact O-N 3.41Å |
| 51 | K | 98.1 | Very high | 98.4 | Very high | 161 Ų | 161 | 48.7 Ų | 48.7 | 70% | 0.7 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 28.9 | -177.2 | -54.8 | -179.9 | 178.8 | -179.7 | 0 | 114.3 | Y47 L48 H49 F53 | Y47-K51 PolarHBondContact O-N 2.94Å; L48-K51 PolarHBondContact O-N 3.37Å; L48-K51 VanDerWaalsContact O-N 3.09Å; H49-K51 VanDerWaalsContact C-N 3.29Å; K51-F53 HydrophobicContact CB-CE1 4.39Å; K51-F53 HydrophobicContact CB-CE2 3.88Å; K51-F53 HydrophobicContact CB-CZ 3.69Å; K51-F53 HydrophobicContact CG-CZ 3.98Å; K51-F53 WeakPolarHBondContact O-CD2 3.47Å; K51-F53 PolarHBondContact O-N 2.89Å |
| 52 | R | 98.4 | Very high | 98.4 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 37% | 0.366 | 24% | 0.238 | S | C | . | . | trans | -94 | 72.1 | 174 | -65.1 | 179.8 | 179.4 | 156.1 | 2.7 | 109.4 | E20 Y47 L50 E54 S55 A56 | E20-R52 IonicContact OE1-CZ 3.24Å; E20-R52 IonicContact OE1-NH1 3.85Å; E20-R52 PolarHBondContact OE1-NH1 3.05Å; E20-R52 IonicContact OE1-NH2 3.45Å; E20-R52 PolarHBondContact OE1-NH2 3.48Å; E20-R52 IonicContact OE2-CZ 2.7Å; E20-R52 IonicContact OE2-NH1 3.82Å; E20-R52 PolarHBondContact OE2-NH1 3.39Å; Y47-R52 HydrophobicContact CD1-CB 4.1Å; Y47-R52 HydrophobicContact CG-CB 4.44Å; Y47-R52 PolarHBondContact O-N 3.29Å; L50-R52 HydrophobicContact CB-CG 4.26Å; L50-R52 PolarHBondContact O-N 3.41Å; R52-E54 PolarHBondContact O-N 2.7Å; R52-S55 PolarHBondContact O-N 3.02Å; R52-A56 PolarHBondContact O-N 2.94Å | ||
| 53 | F | 98.5 | Very high | 98.4 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 15% | 0.145 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70 | -35.6 | -165.9 | -55.1 | -62.9 | 0 | 0 | 0 | 113.4 | L48 K51 A56 A57 H83 L84 | L48-F53 HydrophobicContact CD2-CD1 4.03Å; L48-F53 HydrophobicContact CD2-CE1 4.45Å; K51-F53 HydrophobicContact CB-CE1 4.39Å; K51-F53 HydrophobicContact CB-CE2 3.88Å; K51-F53 HydrophobicContact CB-CZ 3.69Å; K51-F53 HydrophobicContact CG-CZ 3.98Å; K51-F53 WeakPolarHBondContact O-CD2 3.47Å; K51-F53 PolarHBondContact O-N 2.89Å; F53-A56 PolarHBondContact O-N 3.43Å; F53-A57 WeakPolarHBondContact O-CB 3.35Å; F53-A57 PolarHBondContact O-N 3.47Å; F53-H83 HydrophobicContact CB-CB 4.39Å; F53-H83 HydrophobicContact CD1-CB 3.57Å; F53-H83 AromaticContact CD1-CD2 3.84Å; F53-H83 AromaticContact CD1-CG 3.88Å; F53-H83 HydrophobicContact CD2-CB 3.6Å; F53-H83 HydrophobicContact CE1-CB 3.59Å; F53-H83 AromaticContact CE1-CD2 3.27Å; F53-H83 WeakPolarHBondContact CE1-CD2 3.43Å; F53-H83 AromaticContact CE1-CG 3.4Å; F53-H83 AromaticContact CE1-NE2 3.95Å; F53-H83 HydrophobicContact CE2-CB 3.61Å; F53-H83 AromaticContact CE2-CG 3.92Å; F53-H83 HydrophobicContact CG-CB 3.58Å; F53-H83 HydrophobicContact CZ-CB 3.6Å; F53-H83 AromaticContact CZ-CD2 3.7Å; F53-H83 AromaticContact CZ-CG 3.41Å; F53-H83 VanDerWaalsContact CZ-CG 3.41Å; F53-H83 AromaticContact CZ-ND1 3.72Å; F53-L84 HydrophobicContact CB-CD1 4.29Å; F53-L84 HydrophobicContact CB-CD2 3.74Å; F53-L84 HydrophobicContact CB-CG 3.77Å |
| 54 | E | 98.4 | Very high | 98.4 | Very high | 127 Ų | 127 | 50.1 Ų | 50.1 | 59% | 0.593 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -62.6 | -46.3 | 176 | -66.2 | 79.7 | -178.9 | 0 | 0 | 111 | R52 A57 Q58 L84 | R52-E54 PolarHBondContact O-N 2.7Å; E54-A57 PolarHBondContact O-N 3.34Å; E54-Q58 PolarHBondContact O-N 3.09Å; E54-L84 VanDerWaalsContact CD-CD2 3.42Å; E54-L84 HydrophobicContact CG-CD2 3.9Å; E54-L84 WeakPolarHBondContact OE1-CD2 3.31Å |
| 55 | S | 98.4 | Very high | 98.3 | Very high | 42 Ų | 42 | 56.2 Ų | 56.2 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 176.1 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | R52 Q58 D59 | R52-S55 PolarHBondContact O-N 3.02Å; S55-Q58 PolarHBondContact O-N 3.09Å; S55-D59 PolarHBondContact O-N 3.26Å |
| 56 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L48 R52 F53 D59 C60 A80 | L48-A56 HydrophobicContact CD2-CB 3.85Å; L48-A56 HydrophobicContact CG-CB 3.89Å; R52-A56 PolarHBondContact O-N 2.94Å; F53-A56 PolarHBondContact O-N 3.43Å; A56-D59 PolarHBondContact O-N 3.27Å; A56-C60 WeakPolarHBondContact O-CB 3.48Å; A56-C60 PolarHBondContact O-N 2.95Å; A56-C60 PolarHBondContact O-SG 3.1Å; A56-A80 HydrophobicContact CB-CB 4.14Å |
| 57 | A | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 5% | 0.05 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F53 E54 D59 C60 R61 L77 A80 L84 | F53-A57 WeakPolarHBondContact O-CB 3.35Å; F53-A57 PolarHBondContact O-N 3.47Å; E54-A57 PolarHBondContact O-N 3.34Å; A57-D59 PolarHBondContact O-N 2.86Å; A57-C60 PolarHBondContact O-N 3.19Å; A57-R61 WeakPolarHBondContact O-CG 3.35Å; A57-R61 PolarHBondContact O-N 3.35Å; A57-L77 HydrophobicContact CB-CD1 3.83Å; A57-A80 HydrophobicContact CB-CB 4.06Å; A57-L84 HydrophobicContact CB-CD1 4.23Å |
| 58 | Q | 98.4 | Very high | 98.1 | Very high | 138 Ų | 138 | 67.4 Ų | 67.4 | 65% | 0.645 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.2 | -48 | 177 | -173.8 | 179.6 | 8.4 | 0 | 0 | 111.8 | E54 S55 C60 R61 K62 | E54-Q58 PolarHBondContact O-N 3.09Å; S55-Q58 PolarHBondContact O-N 3.09Å; Q58-C60 VanDerWaalsContact C-N 3.35Å; Q58-C60 PolarHBondContact O-N 2.81Å; Q58-R61 PolarHBondContact O-N 2.78Å; Q58-K62 PolarHBondContact O-N 3.18Å |
| 59 | D | 98.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.043 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 177.8 | -87.9 | 1.5 | 0 | 0 | 0 | 112.2 | R43 A44 Y47 S55 A56 A57 K62 A63 | R43-D59 WeakPolarHBondContact CB-OD2 3.41Å; R43-D59 WeakPolarHBondContact CG-OD2 3.34Å; R43-D59 IonicContact CZ-OD1 3.13Å; R43-D59 IonicContact CZ-OD2 2.71Å; R43-D59 IonicContact NE-OD1 3.86Å; R43-D59 IonicContact NE-OD2 2.87Å; R43-D59 PolarHBondContact NE-OD2 3.17Å; R43-D59 IonicContact NH2-OD1 2.61Å; R43-D59 PolarHBondContact NH2-OD1 3.39Å; R43-D59 IonicContact NH2-OD2 2.9Å; R43-D59 PolarHBondContact NH2-OD2 2.88Å; A44-D59 HydrophobicContact CB-CB 3.77Å; Y47-D59 VanDerWaalsContact CE2-OD2 3.28Å; Y47-D59 WeakPolarHBondContact CE2-OD2 3.38Å; S55-D59 PolarHBondContact O-N 3.26Å; A56-D59 PolarHBondContact O-N 3.27Å; A57-D59 PolarHBondContact O-N 2.86Å; D59-K62 PolarHBondContact O-N 3.03Å; D59-A63 WeakPolarHBondContact O-CB 3.11Å; D59-A63 PolarHBondContact O-N 3.48Å |
| 60 | C | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 176.7 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | A44 A56 A57 Q58 K62 A63 L64 F76 L77 | A44-C60 WeakPolarHBondContact CB-SG 3.49Å; A56-C60 WeakPolarHBondContact O-CB 3.48Å; A56-C60 PolarHBondContact O-N 2.95Å; A56-C60 PolarHBondContact O-SG 3.1Å; A57-C60 PolarHBondContact O-N 3.19Å; Q58-C60 VanDerWaalsContact C-N 3.35Å; Q58-C60 PolarHBondContact O-N 2.81Å; C60-K62 VanDerWaalsContact C-N 3.31Å; C60-K62 PolarHBondContact O-N 2.94Å; C60-A63 PolarHBondContact O-N 3.46Å; C60-L64 WeakPolarHBondContact O-CB 3.48Å; C60-L64 VanDerWaalsContact O-CG 3.24Å; C60-L64 WeakPolarHBondContact O-CG 3.34Å; C60-L64 PolarHBondContact O-N 2.78Å; C60-F76 WeakPolarHBondContact SG-CB 3.5Å; C60-L77 HydrophobicContact CB-CB 3.65Å; C60-L77 HydrophobicContact CB-CD1 4.23Å; C60-L77 HydrophobicContact CB-CG 4.41Å |
| 61 | R | 98.5 | Very high | 97.6 | Very high | 100 Ų | 100 | 66.5 Ų | 66.5 | 38% | 0.377 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 174 | -71.6 | -178.8 | -165.4 | -82.2 | 2.1 | 110.3 | A57 Q58 A63 L64 E65 L77 E89 | A57-R61 WeakPolarHBondContact O-CG 3.35Å; A57-R61 PolarHBondContact O-N 3.35Å; Q58-R61 PolarHBondContact O-N 2.78Å; R61-A63 PolarHBondContact O-N 2.93Å; R61-L64 PolarHBondContact O-N 2.89Å; R61-L64 VanDerWaalsContact O-N 3.15Å; R61-E65 PolarHBondContact O-N 2.77Å; R61-L77 HydrophobicContact CG-CD1 4.21Å; R61-L77 HydrophobicContact CG-CD2 4.18Å; R61-E89 IonicContact CZ-OE1 2.96Å; R61-E89 IonicContact CZ-OE2 3.66Å; R61-E89 IonicContact NH1-OE1 2.68Å; R61-E89 PolarHBondContact NH1-OE1 3.26Å; R61-E89 IonicContact NH2-OE1 2.72Å; R61-E89 PolarHBondContact NH2-OE1 2.88Å; R61-E89 IonicContact NH2-OE2 2.68Å; R61-E89 PolarHBondContact NH2-OE2 3.29Å |
| 62 | K | 98.3 | Very high | 97.5 | Very high | 80 Ų | 80 | 63.1 Ų | 63.1 | 35% | 0.348 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 176.6 | -172.3 | 57.5 | -177.1 | 175 | 0 | 112.7 | F40 Q58 D59 C60 L64 E65 L66 | F40-K62 HydrophobicContact CD1-CB 4.05Å; F40-K62 HydrophobicContact CD1-CG 3.8Å; F40-K62 HydrophobicContact CE1-CB 4.26Å; F40-K62 HydrophobicContact CE1-CG 3.55Å; F40-K62 HydrophobicContact CE2-CG 4.32Å; F40-K62 HydrophobicContact CG-CG 4.28Å; F40-K62 HydrophobicContact CZ-CG 3.83Å; Q58-K62 PolarHBondContact O-N 3.18Å; D59-K62 PolarHBondContact O-N 3.03Å; C60-K62 VanDerWaalsContact C-N 3.31Å; C60-K62 PolarHBondContact O-N 2.94Å; K62-L64 VanDerWaalsContact C-N 3.27Å; K62-L64 PolarHBondContact O-N 3.09Å; K62-E65 VanDerWaalsContact CD-OE2 3.22Å; K62-E65 WeakPolarHBondContact CD-OE2 3.21Å; K62-E65 IonicContact NZ-OE2 3.64Å; K62-E65 PolarHBondContact NZ-OE2 2.82Å; K62-E65 WeakPolarHBondContact O-CB 3.47Å; K62-E65 PolarHBondContact O-N 2.6Å; K62-L66 WeakPolarHBondContact O-CG 3.29Å; K62-L66 PolarHBondContact O-N 3.06Å |
| 63 | A | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -35.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A37 F40 T41 D59 C60 R61 L66 N67 | A37-A63 HydrophobicContact CB-CB 4.45Å; F40-A63 HydrophobicContact CB-CB 3.85Å; T41-A63 HydrophobicContact CG2-CB 3.54Å; D59-A63 WeakPolarHBondContact O-CB 3.11Å; D59-A63 PolarHBondContact O-N 3.48Å; C60-A63 PolarHBondContact O-N 3.46Å; R61-A63 PolarHBondContact O-N 2.93Å; A63-L66 PolarHBondContact O-N 2.88Å; A63-N67 PolarHBondContact O-N 3.21Å |
| 64 | L | 98 | Very high | 97.4 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -77.6 | -27.7 | 179.2 | -70.9 | 173 | 0 | 0 | 0 | 113.1 | C60 R61 K62 L66 N67 R68 F74 L77 | C60-L64 WeakPolarHBondContact O-CB 3.48Å; C60-L64 VanDerWaalsContact O-CG 3.24Å; C60-L64 WeakPolarHBondContact O-CG 3.34Å; C60-L64 PolarHBondContact O-N 2.78Å; R61-L64 PolarHBondContact O-N 2.89Å; R61-L64 VanDerWaalsContact O-N 3.15Å; K62-L64 VanDerWaalsContact C-N 3.27Å; K62-L64 PolarHBondContact O-N 3.09Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-N67 CarbonylContact O-C 3.32Å; L64-R68 WeakPolarHBondContact O-CA 3.32Å; L64-R68 VanDerWaalsContact O-CG 3.28Å; L64-R68 WeakPolarHBondContact O-CG 3.19Å; L64-R68 PolarHBondContact O-N 2.94Å; L64-F74 HydrophobicContact CD1-CD1 3.8Å; L64-F74 HydrophobicContact CD1-CE1 3.87Å; L64-F74 HydrophobicContact CD1-CG 4.13Å; L64-F74 HydrophobicContact CD1-CZ 4.28Å; L64-F74 HydrophobicContact CD2-CD1 4.23Å; L64-F74 HydrophobicContact CD2-CD2 3.5Å; L64-F74 VanDerWaalsContact CD2-CD2 3.5Å; L64-F74 HydrophobicContact CD2-CE1 4.16Å; L64-F74 HydrophobicContact CD2-CE2 3.43Å; L64-F74 VanDerWaalsContact CD2-CE2 3.43Å; L64-F74 HydrophobicContact CD2-CG 3.89Å; L64-F74 HydrophobicContact CD2-CZ 3.77Å; L64-L77 HydrophobicContact CD1-CD2 3.8Å |
| 65 | E | 97.8 | Very high | 97.3 | Very high | 128 Ų | 128 | 52.6 Ų | 52.6 | 60% | 0.598 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60.1 | -45 | 166.6 | -71.4 | 172.6 | -167.4 | 0 | 0 | 110.8 | R61 K62 | R61-E65 PolarHBondContact O-N 2.77Å; K62-E65 VanDerWaalsContact CD-OE2 3.22Å; K62-E65 WeakPolarHBondContact CD-OE2 3.21Å; K62-E65 IonicContact NZ-OE2 3.64Å; K62-E65 PolarHBondContact NZ-OE2 2.82Å; K62-E65 WeakPolarHBondContact O-CB 3.47Å; K62-E65 PolarHBondContact O-N 2.6Å |
| 66 | L | 97.5 | Very high | 97.3 | Very high | 48 Ų | 48 | 51.4 Ų | 51.4 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -76.4 | -39.6 | -178.5 | -64.4 | 172.1 | 0 | 0 | 0 | 112.9 | P34 E35 A37 F40 K62 A63 L64 | P34-L66 WeakPolarHBondContact O-CD1 3.46Å; E35-L66 WeakPolarHBondContact OE2-CD2 3.25Å; A37-L66 HydrophobicContact CB-CB 3.87Å; F40-L66 HydrophobicContact CD2-CD1 3.79Å; F40-L66 HydrophobicContact CE2-CD1 3.56Å; F40-L66 HydrophobicContact CZ-CD1 4.46Å; K62-L66 WeakPolarHBondContact O-CG 3.29Å; K62-L66 PolarHBondContact O-N 3.06Å; A63-L66 PolarHBondContact O-N 2.88Å; L64-L66 VanDerWaalsContact C-N 3.33Å |
| 67 | N | 96.6 | Very high | 97.2 | Very high | 68 Ų | 68 | 51.7 Ų | 51.7 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | trans | -136 | 94.7 | 177.7 | -178.5 | -0.1 | 0 | 0 | 0 | 111.5 | A37 A63 L64 F69 S70 | A37-N67 HydrophobicContact CB-CB 3.74Å; A63-N67 PolarHBondContact O-N 3.21Å; L64-N67 CarbonylContact O-C 3.32Å; N67-F69 PolarHBondContact O-N 3.44Å; N67-F69 VanDerWaalsContact O-N 3.11Å; N67-F69 PolarHBondContact OD1-N 3.14Å; N67-S70 WeakPolarHBondContact O-CB 3.35Å; N67-S70 PolarHBondContact O-N 2.99Å; N67-S70 PolarHBondContact OD1-N 3.36Å | ||
| 68 | R | 96.2 | Very high | 97.2 | Very high | 189 Ų | 189 | 51.4 Ų | 51.4 | 71% | 0.713 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -6.5 | -179.6 | -59.6 | -178.7 | 71.4 | -175.1 | 2.8 | 114.9 | L64 F74 | L64-R68 WeakPolarHBondContact O-CA 3.32Å; L64-R68 VanDerWaalsContact O-CG 3.28Å; L64-R68 WeakPolarHBondContact O-CG 3.19Å; L64-R68 PolarHBondContact O-N 2.94Å; R68-F74 WeakPolarHBondContact O-CE2 3.28Å |
| 69 | F | 94.8 | Very high | 97.2 | Very high | 129 Ų | 129 | 47.8 Ų | 47.8 | 57% | 0.566 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 10 | 179.5 | -59.2 | -76.9 | 0 | 0 | 0 | 112.9 | N67 V71 L100 Q104 | N67-F69 PolarHBondContact O-N 3.44Å; N67-F69 VanDerWaalsContact O-N 3.11Å; N67-F69 PolarHBondContact OD1-N 3.14Å; F69-V71 PolarHBondContact O-N 2.95Å; F69-L100 HydrophobicContact CD1-CD2 3.87Å; F69-Q104 PolarHBondContact O-NE2 3.13Å |
| 70 | S | 95 | Very high | 97.2 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | trans | -74.2 | 103.9 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | N67 K72 G73 F74 | N67-S70 WeakPolarHBondContact O-CB 3.35Å; N67-S70 PolarHBondContact O-N 2.99Å; N67-S70 PolarHBondContact OD1-N 3.36Å; S70-K72 VanDerWaalsContact C-N 3.27Å; S70-K72 PolarHBondContact O-N 2.95Å; S70-G73 PolarHBondContact O-N 3.3Å; S70-G73 VanDerWaalsContact O-N 3.13Å; S70-G73 PolarHBondContact OG-N 3.35Å; S70-G73 VanDerWaalsContact OG-N 3.12Å; S70-F74 VanDerWaalsContact O-CD2 3.31Å; S70-F74 WeakPolarHBondContact O-CD2 3.32Å; S70-F74 PolarHBondContact O-N 3.07Å | ||
| 71 | V | 95 | Very high | 97.2 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -41.2 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | F69 G73 F74 F75 L100 L106 Y108 I112 | F69-V71 PolarHBondContact O-N 2.95Å; V71-G73 PolarHBondContact O-N 2.94Å; V71-F74 PolarHBondContact O-N 3.37Å; V71-F75 VanDerWaalsContact O-CB 3.23Å; V71-F75 WeakPolarHBondContact O-CB 3.36Å; V71-F75 PolarHBondContact O-N 2.92Å; V71-L100 HydrophobicContact CG2-CB 3.71Å; V71-L106 HydrophobicContact CB-CD1 4.19Å; V71-L106 HydrophobicContact CG2-CD1 3.8Å; V71-Y108 HydrophobicContact CG1-CD2 3.84Å; V71-Y108 HydrophobicContact CG1-CE2 4.38Å; V71-Y108 HydrophobicContact CG1-CG 4.26Å; V71-I112 HydrophobicContact CG1-CD1 4.1Å |
| 72 | K | 95.1 | Very high | 97.1 | Very high | 90 Ų | 90 | 43.6 Ų | 43.6 | 39% | 0.391 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 176.4 | -70.8 | -178.5 | 179.5 | 178.7 | 0 | 112.2 | S70 F75 F76 Y108 | S70-K72 VanDerWaalsContact C-N 3.27Å; S70-K72 PolarHBondContact O-N 2.95Å; K72-F75 PolarHBondContact O-N 3.16Å; K72-F76 HydrophobicContact CB-CD2 4.35Å; K72-F76 HydrophobicContact CB-CE2 3.99Å; K72-F76 HydrophobicContact CB-CZ 4.32Å; K72-F76 HydrophobicContact CG-CZ 4.43Å; K72-F76 WeakPolarHBondContact O-CB 3.35Å; K72-F76 WeakPolarHBondContact O-CD2 3.13Å; K72-F76 WeakPolarHBondContact O-CG 3.38Å; K72-F76 PolarHBondContact O-N 3.46Å; K72-Y108 WeakPolarHBondContact CE-OH 3.34Å |
| 73 | G | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -49.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | S70 V71 L77 | S70-G73 PolarHBondContact O-N 3.3Å; S70-G73 VanDerWaalsContact O-N 3.13Å; S70-G73 PolarHBondContact OG-N 3.35Å; S70-G73 VanDerWaalsContact OG-N 3.12Å; V71-G73 PolarHBondContact O-N 2.94Å; G73-L77 VanDerWaalsContact O-CB 3.27Å; G73-L77 WeakPolarHBondContact O-CB 3.33Å; G73-L77 PolarHBondContact O-N 3.39Å |
| 74 | F | 97.6 | Very high | 97.1 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 175.7 | -71.9 | -76.9 | 0 | 0 | 0 | 112 | L64 R68 S70 V71 F76 L77 G78 V93 R96 A97 L100 | L64-F74 HydrophobicContact CD1-CD1 3.8Å; L64-F74 HydrophobicContact CD1-CE1 3.87Å; L64-F74 HydrophobicContact CD1-CG 4.13Å; L64-F74 HydrophobicContact CD1-CZ 4.28Å; L64-F74 HydrophobicContact CD2-CD1 4.23Å; L64-F74 HydrophobicContact CD2-CD2 3.5Å; L64-F74 VanDerWaalsContact CD2-CD2 3.5Å; L64-F74 HydrophobicContact CD2-CE1 4.16Å; L64-F74 HydrophobicContact CD2-CE2 3.43Å; L64-F74 VanDerWaalsContact CD2-CE2 3.43Å; L64-F74 HydrophobicContact CD2-CG 3.89Å; L64-F74 HydrophobicContact CD2-CZ 3.77Å; R68-F74 WeakPolarHBondContact O-CE2 3.28Å; S70-F74 VanDerWaalsContact O-CD2 3.31Å; S70-F74 WeakPolarHBondContact O-CD2 3.32Å; S70-F74 PolarHBondContact O-N 3.07Å; V71-F74 PolarHBondContact O-N 3.37Å; F74-F76 PolarHBondContact O-N 3.43Å; F74-L77 PolarHBondContact O-N 2.85Å; F74-G78 PolarHBondContact O-N 3.27Å; F74-V93 HydrophobicContact CB-CG1 4.15Å; F74-V93 HydrophobicContact CD1-CG1 3.96Å; F74-V93 WeakPolarHBondContact O-CG1 3.34Å; F74-R96 HydrophobicContact CD1-CB 4.04Å; F74-R96 HydrophobicContact CD1-CG 3.96Å; F74-R96 HydrophobicContact CD2-CG 4.27Å; F74-R96 HydrophobicContact CE1-CB 4.11Å; F74-R96 HydrophobicContact CE1-CG 3.65Å; F74-R96 HydrophobicContact CE2-CG 3.96Å; F74-R96 HydrophobicContact CG-CB 4.47Å; F74-R96 HydrophobicContact CG-CG 4.29Å; F74-R96 HydrophobicContact CZ-CG 3.65Å; F74-A97 HydrophobicContact CB-CB 3.62Å; F74-L100 HydrophobicContact CD2-CD1 3.54Å; F74-L100 HydrophobicContact CE2-CD1 3.42Å; F74-L100 VanDerWaalsContact CE2-CD1 3.42Å; F74-L100 HydrophobicContact CZ-CD1 4.47Å |
| 75 | F | 96.7 | Very high | 97 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | -179.2 | 176.8 | -116.3 | 0 | 0 | 0 | 112.9 | V71 K72 G78 K79 L94 Q111 I112 L115 | V71-F75 VanDerWaalsContact O-CB 3.23Å; V71-F75 WeakPolarHBondContact O-CB 3.36Å; V71-F75 PolarHBondContact O-N 2.92Å; K72-F75 PolarHBondContact O-N 3.16Å; F75-G78 PolarHBondContact O-N 2.99Å; F75-K79 HydrophobicContact CE1-CD 4.08Å; F75-K79 HydrophobicContact CZ-CD 4.14Å; F75-K79 PolarHBondContact O-N 2.92Å; F75-L94 HydrophobicContact CD2-CD2 4.39Å; F75-Q111 HydrophobicContact CE2-CB 3.97Å; F75-Q111 HydrophobicContact CZ-CB 3.9Å; F75-I112 HydrophobicContact CD2-CG1 3.63Å; F75-I112 HydrophobicContact CE2-CG1 4.02Å; F75-I112 HydrophobicContact CG-CG1 4.46Å; F75-L115 HydrophobicContact CD2-CD1 3.98Å; F75-L115 HydrophobicContact CE2-CD1 3.42Å; F75-L115 VanDerWaalsContact CE2-CD1 3.42Å; F75-L115 HydrophobicContact CZ-CD1 4.13Å |
| 76 | F | 97.7 | Very high | 97 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.6 | -37.8 | 177.5 | -63.6 | -20.8 | 0 | 0 | 0 | 112 | L45 L48 C60 K72 F74 G78 K79 A80 | L45-F76 HydrophobicContact CB-CD2 4.34Å; L45-F76 HydrophobicContact CB-CE2 3.92Å; L45-F76 HydrophobicContact CB-CZ 4.21Å; L45-F76 HydrophobicContact CD1-CD1 4.39Å; L45-F76 HydrophobicContact CD1-CE1 3.86Å; L45-F76 HydrophobicContact CD1-CE2 4.37Å; L45-F76 HydrophobicContact CD1-CZ 3.85Å; L45-F76 HydrophobicContact CD2-CE2 4.32Å; L45-F76 HydrophobicContact CD2-CZ 3.95Å; L45-F76 HydrophobicContact CG-CE2 4.43Å; L45-F76 HydrophobicContact CG-CZ 4.22Å; L48-F76 HydrophobicContact CD1-CB 3.84Å; L48-F76 HydrophobicContact CD1-CD1 4.04Å; L48-F76 HydrophobicContact CD1-CG 4.06Å; C60-F76 WeakPolarHBondContact SG-CB 3.5Å; K72-F76 HydrophobicContact CB-CD2 4.35Å; K72-F76 HydrophobicContact CB-CE2 3.99Å; K72-F76 HydrophobicContact CB-CZ 4.32Å; K72-F76 HydrophobicContact CG-CZ 4.43Å; K72-F76 WeakPolarHBondContact O-CB 3.35Å; K72-F76 WeakPolarHBondContact O-CD2 3.13Å; K72-F76 WeakPolarHBondContact O-CG 3.38Å; K72-F76 PolarHBondContact O-N 3.46Å; F74-F76 PolarHBondContact O-N 3.43Å; F76-G78 VanDerWaalsContact C-N 3.35Å; F76-K79 PolarHBondContact O-N 2.9Å; F76-A80 PolarHBondContact O-N 2.85Å |
| 77 | L | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 171.6 | -178.5 | 56.2 | 0 | 0 | 0 | 111 | A57 C60 R61 L64 G73 F74 K79 A80 L81 V93 | A57-L77 HydrophobicContact CB-CD1 3.83Å; C60-L77 HydrophobicContact CB-CB 3.65Å; C60-L77 HydrophobicContact CB-CD1 4.23Å; C60-L77 HydrophobicContact CB-CG 4.41Å; R61-L77 HydrophobicContact CG-CD1 4.21Å; R61-L77 HydrophobicContact CG-CD2 4.18Å; L64-L77 HydrophobicContact CD1-CD2 3.8Å; G73-L77 VanDerWaalsContact O-CB 3.27Å; G73-L77 WeakPolarHBondContact O-CB 3.33Å; G73-L77 PolarHBondContact O-N 3.39Å; F74-L77 PolarHBondContact O-N 2.85Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 3.12Å; L77-A80 PolarHBondContact O-N 3.14Å; L77-L81 HydrophobicContact CD1-CD1 3.99Å; L77-L81 HydrophobicContact CD1-CD2 4.49Å; L77-L81 HydrophobicContact CD1-CG 4Å; L77-L81 HydrophobicContact CG-CD1 3.79Å; L77-L81 HydrophobicContact CG-CG 4.27Å; L77-L81 WeakPolarHBondContact O-CB 3.39Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 3.17Å; L77-V93 HydrophobicContact CB-CG1 3.8Å; L77-V93 HydrophobicContact CD2-CG1 3.85Å; L77-V93 HydrophobicContact CD2-CG2 3.97Å; L77-V93 HydrophobicContact CG-CG1 3.81Å; L77-V93 HydrophobicContact CG-CG2 4.35Å |
| 78 | G | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.4 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F74 F75 F76 L81 L82 | F74-G78 PolarHBondContact O-N 3.27Å; F75-G78 PolarHBondContact O-N 2.99Å; F76-G78 VanDerWaalsContact C-N 3.35Å; G78-L81 PolarHBondContact O-N 3.06Å; G78-L82 WeakPolarHBondContact O-CG 3.19Å; G78-L82 PolarHBondContact O-N 3.46Å |
| 79 | K | 97.9 | Very high | 96.8 | Very high | 63 Ų | 63 | 45.9 Ų | 45.9 | 27% | 0.274 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61 | -46 | 172.5 | -79.3 | -174.9 | 168.4 | -180 | 0 | 112.5 | L48 F75 F76 L77 L82 H83 L115 | L48-K79 HydrophobicContact CD1-CB 4.22Å; L48-K79 HydrophobicContact CD1-CD 4.45Å; L48-K79 HydrophobicContact CD2-CB 4.3Å; F75-K79 HydrophobicContact CE1-CD 4.08Å; F75-K79 HydrophobicContact CZ-CD 4.14Å; F75-K79 PolarHBondContact O-N 2.92Å; F76-K79 PolarHBondContact O-N 2.9Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 3.12Å; K79-L82 PolarHBondContact O-N 2.9Å; K79-H83 PolarHBondContact O-CD2 3.22Å; K79-H83 VanDerWaalsContact O-CD2 3.25Å; K79-H83 PolarHBondContact O-N 3.17Å; K79-L115 HydrophobicContact CD-CD1 4.19Å; K79-L115 HydrophobicContact CG-CD1 3.4Å; K79-L115 VanDerWaalsContact CG-CD1 3.4Å |
| 80 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -47.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L48 A56 A57 F76 L77 L82 H83 L84 | L48-A80 HydrophobicContact CD2-CB 3.92Å; A56-A80 HydrophobicContact CB-CB 4.14Å; A57-A80 HydrophobicContact CB-CB 4.06Å; F76-A80 PolarHBondContact O-N 2.85Å; L77-A80 PolarHBondContact O-N 3.14Å; A80-L82 VanDerWaalsContact C-N 3.32Å; A80-L82 PolarHBondContact O-N 3.38Å; A80-H83 PolarHBondContact O-N 2.89Å; A80-H83 VanDerWaalsContact O-N 3.1Å; A80-L84 WeakPolarHBondContact O-CG 3.38Å; A80-L84 PolarHBondContact O-N 3.35Å |
| 81 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -36.2 | -179.7 | -69.1 | 169.9 | 0 | 0 | 0 | 112.9 | L77 G78 H83 L84 E85 Q86 E89 A90 V93 | L77-L81 HydrophobicContact CD1-CD1 3.99Å; L77-L81 HydrophobicContact CD1-CD2 4.49Å; L77-L81 HydrophobicContact CD1-CG 4Å; L77-L81 HydrophobicContact CG-CD1 3.79Å; L77-L81 HydrophobicContact CG-CG 4.27Å; L77-L81 WeakPolarHBondContact O-CB 3.39Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 3.17Å; G78-L81 PolarHBondContact O-N 3.06Å; L81-H83 VanDerWaalsContact C-N 3.31Å; L81-H83 PolarHBondContact O-N 3.32Å; L81-L84 CarbonylContact O-C 3.44Å; L81-L84 PolarHBondContact O-N 3.16Å; L81-E85 PolarHBondContact O-N 2.85Å; L81-E85 VanDerWaalsContact O-N 3.16Å; L81-Q86 HydrophobicContact CB-CB 4.32Å; L81-Q86 HydrophobicContact CD2-CB 3.9Å; L81-Q86 HydrophobicContact CD2-CG 4.5Å; L81-Q86 VanDerWaalsContact CD2-OE1 3.24Å; L81-Q86 PolarHBondContact O-N 3.36Å; L81-E89 HydrophobicContact CD1-CB 4.07Å; L81-E89 HydrophobicContact CD1-CG 3.75Å; L81-A90 HydrophobicContact CB-CB 3.7Å; L81-V93 HydrophobicContact CD1-CB 4.35Å; L81-V93 HydrophobicContact CD1-CG2 3.95Å |
| 82 | L | 97.5 | Very high | 97 | Very high | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | 172.8 | -84.4 | 174.7 | 0 | 0 | 0 | 112.5 | G78 K79 A80 L84 E85 Y87 A90 L94 L115 T118 A119 | G78-L82 WeakPolarHBondContact O-CG 3.19Å; G78-L82 PolarHBondContact O-N 3.46Å; K79-L82 PolarHBondContact O-N 2.9Å; A80-L82 VanDerWaalsContact C-N 3.32Å; A80-L82 PolarHBondContact O-N 3.38Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-E85 PolarHBondContact O-N 3.45Å; L82-Y87 HydrophobicContact CD2-CD1 3.8Å; L82-Y87 HydrophobicContact CD2-CE1 4.16Å; L82-A90 HydrophobicContact CD2-CB 4.21Å; L82-A90 HydrophobicContact CG-CB 4.06Å; L82-L94 HydrophobicContact CD1-CD1 4.08Å; L82-L94 HydrophobicContact CG-CD1 4.48Å; L82-L115 HydrophobicContact CD1-CB 3.9Å; L82-L115 HydrophobicContact CD1-CD2 3.68Å; L82-L115 HydrophobicContact CD1-CG 4.25Å; L82-T118 HydrophobicContact CD2-CG2 4.41Å; L82-A119 HydrophobicContact CD2-CB 3.64Å; L82-A119 HydrophobicContact CG-CB 4.48Å |
| 83 | H | 97.6 | Very high | 97.1 | Very high | 120 Ų | 120 | 41.5 Ų | 41.5 | 56% | 0.556 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -76.1 | -23 | 176.7 | -75.6 | -66.5 | 0 | 0 | 0 | 113.4 | F53 K79 A80 L81 | F53-H83 HydrophobicContact CB-CB 4.39Å; F53-H83 HydrophobicContact CD1-CB 3.57Å; F53-H83 AromaticContact CD1-CD2 3.84Å; F53-H83 AromaticContact CD1-CG 3.88Å; F53-H83 HydrophobicContact CD2-CB 3.6Å; F53-H83 HydrophobicContact CE1-CB 3.59Å; F53-H83 AromaticContact CE1-CD2 3.27Å; F53-H83 WeakPolarHBondContact CE1-CD2 3.43Å; F53-H83 AromaticContact CE1-CG 3.4Å; F53-H83 AromaticContact CE1-NE2 3.95Å; F53-H83 HydrophobicContact CE2-CB 3.61Å; F53-H83 AromaticContact CE2-CG 3.92Å; F53-H83 HydrophobicContact CG-CB 3.58Å; F53-H83 HydrophobicContact CZ-CB 3.6Å; F53-H83 AromaticContact CZ-CD2 3.7Å; F53-H83 AromaticContact CZ-CG 3.41Å; F53-H83 VanDerWaalsContact CZ-CG 3.41Å; F53-H83 AromaticContact CZ-ND1 3.72Å; K79-H83 PolarHBondContact O-CD2 3.22Å; K79-H83 VanDerWaalsContact O-CD2 3.25Å; K79-H83 PolarHBondContact O-N 3.17Å; A80-H83 PolarHBondContact O-N 2.89Å; A80-H83 VanDerWaalsContact O-N 3.1Å; L81-H83 VanDerWaalsContact C-N 3.31Å; L81-H83 PolarHBondContact O-N 3.32Å |
| 84 | L | 97.9 | Very high | 97 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 5.9 | 172.6 | -65 | 172.5 | 0 | 0 | 0 | 113 | F53 E54 A57 A80 L81 L82 Q86 | F53-L84 HydrophobicContact CB-CD1 4.29Å; F53-L84 HydrophobicContact CB-CD2 3.74Å; F53-L84 HydrophobicContact CB-CG 3.77Å; E54-L84 VanDerWaalsContact CD-CD2 3.42Å; E54-L84 HydrophobicContact CG-CD2 3.9Å; E54-L84 WeakPolarHBondContact OE1-CD2 3.31Å; A57-L84 HydrophobicContact CB-CD1 4.23Å; A80-L84 WeakPolarHBondContact O-CG 3.38Å; A80-L84 PolarHBondContact O-N 3.35Å; L81-L84 CarbonylContact O-C 3.44Å; L81-L84 PolarHBondContact O-N 3.16Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L84-Q86 HydrophobicContact CB-CG 4.28Å; L84-Q86 PolarHBondContact O-N 3.25Å; L84-Q86 VanDerWaalsContact O-N 3.1Å |
| 85 | E | 96.7 | Very high | 96.9 | Very high | 138 Ų | 138 | 45.9 Ų | 45.9 | 65% | 0.645 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 21 | -178.6 | -52.2 | -173.7 | 175.6 | 0 | 0 | 113.9 | L81 L82 Y87 | L81-E85 PolarHBondContact O-N 2.85Å; L81-E85 VanDerWaalsContact O-N 3.16Å; L82-E85 PolarHBondContact O-N 3.45Å; E85-Y87 VanDerWaalsContact C-N 3.28Å; E85-Y87 HydrophobicContact CB-CD2 4.44Å; E85-Y87 HydrophobicContact CB-CE2 3.64Å; E85-Y87 HydrophobicContact CG-CE2 4.27Å; E85-Y87 WeakPolarHBondContact O-CD2 3.29Å; E85-Y87 WeakPolarHBondContact O-CE2 3.47Å; E85-Y87 PolarHBondContact O-N 2.75Å; E85-Y87 VanDerWaalsContact O-N 3.14Å |
| 86 | Q | 97 | Very high | 96.8 | Very high | 86 Ų | 86 | 50.3 Ų | 50.3 | 40% | 0.402 | 23% | 0.225 | S | C | . | . | trans | -90.8 | 60.6 | 177 | -67.1 | 177.9 | 31.9 | 0 | 0 | 110.1 | L81 L84 E88 E89 A90 | L81-Q86 HydrophobicContact CB-CB 4.32Å; L81-Q86 HydrophobicContact CD2-CB 3.9Å; L81-Q86 HydrophobicContact CD2-CG 4.5Å; L81-Q86 VanDerWaalsContact CD2-OE1 3.24Å; L81-Q86 PolarHBondContact O-N 3.36Å; L84-Q86 HydrophobicContact CB-CG 4.28Å; L84-Q86 PolarHBondContact O-N 3.25Å; L84-Q86 VanDerWaalsContact O-N 3.1Å; Q86-E88 PolarHBondContact O-N 3.27Å; Q86-E89 PolarHBondContact O-N 2.97Å; Q86-E89 PolarHBondContact OE1-OE2 3.24Å; Q86-A90 WeakPolarHBondContact O-CB 3.21Å; Q86-A90 PolarHBondContact O-N 2.7Å | ||
| 87 | Y | 95.5 | Very high | 96.7 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 13% | 0.125 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -34.8 | -167.3 | -56.1 | -73.4 | 0 | 0 | 0 | 114.6 | L82 E85 A90 A91 E122 I126 | L82-Y87 HydrophobicContact CD2-CD1 3.8Å; L82-Y87 HydrophobicContact CD2-CE1 4.16Å; E85-Y87 VanDerWaalsContact C-N 3.28Å; E85-Y87 HydrophobicContact CB-CD2 4.44Å; E85-Y87 HydrophobicContact CB-CE2 3.64Å; E85-Y87 HydrophobicContact CG-CE2 4.27Å; E85-Y87 WeakPolarHBondContact O-CD2 3.29Å; E85-Y87 WeakPolarHBondContact O-CE2 3.47Å; E85-Y87 PolarHBondContact O-N 2.75Å; E85-Y87 VanDerWaalsContact O-N 3.14Å; Y87-A90 PolarHBondContact O-N 2.68Å; Y87-A91 WeakPolarHBondContact O-CB 3.49Å; Y87-A91 PolarHBondContact O-N 2.82Å; Y87-E122 HydrophobicContact CD1-CB 3.44Å; Y87-E122 VanDerWaalsContact CD1-CB 3.44Å; Y87-E122 HydrophobicContact CD1-CG 4.18Å; Y87-E122 HydrophobicContact CD2-CB 4.18Å; Y87-E122 HydrophobicContact CE1-CB 3.35Å; Y87-E122 HydrophobicContact CE1-CG 3.72Å; Y87-E122 HydrophobicContact CE2-CB 4.07Å; Y87-E122 HydrophobicContact CG-CB 3.85Å; Y87-I126 HydrophobicContact CD2-CD1 3.31Å; Y87-I126 HydrophobicContact CE2-CD1 3.29Å |
| 88 | E | 94.1 | Very high | 96.4 | Very high | 112 Ų | 112 | 52 Ų | 52 | 52% | 0.523 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.5 | -46.8 | 177.8 | -168.3 | -167.1 | 156.7 | 0 | 0 | 111.3 | Q86 A91 K92 | Q86-E88 PolarHBondContact O-N 3.27Å; E88-A91 PolarHBondContact O-N 3.12Å; E88-K92 WeakPolarHBondContact O-CG 3.29Å; E88-K92 PolarHBondContact O-N 3.22Å; E88-K92 WeakPolarHBondContact OE1-CE 3.31Å; E88-K92 IonicContact OE1-NZ 3.17Å; E88-K92 PolarHBondContact OE1-NZ 2.87Å |
| 89 | E | 96.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 55 Ų | 55 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68 | -41.9 | 176.4 | -166 | -178.8 | -177.3 | 0 | 0 | 110.8 | R61 L81 Q86 A91 K92 V93 | R61-E89 IonicContact CZ-OE1 2.96Å; R61-E89 IonicContact CZ-OE2 3.66Å; R61-E89 IonicContact NH1-OE1 2.68Å; R61-E89 PolarHBondContact NH1-OE1 3.26Å; R61-E89 IonicContact NH2-OE1 2.72Å; R61-E89 PolarHBondContact NH2-OE1 2.88Å; R61-E89 IonicContact NH2-OE2 2.68Å; R61-E89 PolarHBondContact NH2-OE2 3.29Å; L81-E89 HydrophobicContact CD1-CB 4.07Å; L81-E89 HydrophobicContact CD1-CG 3.75Å; Q86-E89 PolarHBondContact O-N 2.97Å; Q86-E89 PolarHBondContact OE1-OE2 3.24Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 3.21Å; E89-K92 PolarHBondContact O-N 3.21Å; E89-K92 VanDerWaalsContact O-N 3.15Å; E89-V93 HydrophobicContact CG-CG2 4.17Å; E89-V93 WeakPolarHBondContact O-CB 3.48Å; E89-V93 WeakPolarHBondContact O-CG2 3.44Å; E89-V93 PolarHBondContact O-N 3.28Å |
| 90 | A | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.7 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L81 L82 Q86 Y87 K92 V93 L94 A119 | L81-A90 HydrophobicContact CB-CB 3.7Å; L82-A90 HydrophobicContact CD2-CB 4.21Å; L82-A90 HydrophobicContact CG-CB 4.06Å; Q86-A90 WeakPolarHBondContact O-CB 3.21Å; Q86-A90 PolarHBondContact O-N 2.7Å; Y87-A90 PolarHBondContact O-N 2.68Å; A90-K92 PolarHBondContact O-N 3.08Å; A90-V93 PolarHBondContact O-N 3.45Å; A90-L94 VanDerWaalsContact O-CB 3.24Å; A90-L94 WeakPolarHBondContact O-CB 3.47Å; A90-L94 WeakPolarHBondContact O-CD1 3.37Å; A90-L94 WeakPolarHBondContact O-CG 3.35Å; A90-L94 PolarHBondContact O-N 2.74Å; A90-A119 HydrophobicContact CB-CB 4.21Å |
| 91 | A | 94.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y87 E88 E89 W95 L116 A119 | Y87-A91 WeakPolarHBondContact O-CB 3.49Å; Y87-A91 PolarHBondContact O-N 2.82Å; E88-A91 PolarHBondContact O-N 3.12Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 3.21Å; A91-W95 VanDerWaalsContact O-CB 3.23Å; A91-W95 WeakPolarHBondContact O-CB 3.17Å; A91-W95 PolarHBondContact O-N 2.92Å; A91-L116 HydrophobicContact CB-CD1 4.27Å; A91-L116 VanDerWaalsContact O-CD1 3.3Å; A91-L116 WeakPolarHBondContact O-CD1 3.48Å; A91-A119 HydrophobicContact CB-CB 4.07Å |
| 92 | K | 95.8 | Very high | 94.9 | Very high | 126 Ų | 126 | 56 Ų | 56 | 55% | 0.548 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 177.6 | -68.1 | 172.7 | -172.1 | 168.5 | 0 | 111.6 | E88 E89 A90 W95 R96 | E88-K92 WeakPolarHBondContact O-CG 3.29Å; E88-K92 PolarHBondContact O-N 3.22Å; E88-K92 WeakPolarHBondContact OE1-CE 3.31Å; E88-K92 IonicContact OE1-NZ 3.17Å; E88-K92 PolarHBondContact OE1-NZ 2.87Å; E89-K92 PolarHBondContact O-N 3.21Å; E89-K92 VanDerWaalsContact O-N 3.15Å; A90-K92 PolarHBondContact O-N 3.08Å; K92-W95 PolarHBondContact O-N 2.99Å; K92-R96 PolarHBondContact O-N 3.48Å; K92-R96 VanDerWaalsContact O-N 3.08Å |
| 93 | V | 97 | Very high | 94.6 | Very high | 15 Ų | 15 | 59 Ų | 59 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -44.6 | -179.4 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | F74 L77 L81 E89 A90 R96 A97 | F74-V93 HydrophobicContact CB-CG1 4.15Å; F74-V93 HydrophobicContact CD1-CG1 3.96Å; F74-V93 WeakPolarHBondContact O-CG1 3.34Å; L77-V93 HydrophobicContact CB-CG1 3.8Å; L77-V93 HydrophobicContact CD2-CG1 3.85Å; L77-V93 HydrophobicContact CD2-CG2 3.97Å; L77-V93 HydrophobicContact CG-CG1 3.81Å; L77-V93 HydrophobicContact CG-CG2 4.35Å; L81-V93 HydrophobicContact CD1-CB 4.35Å; L81-V93 HydrophobicContact CD1-CG2 3.95Å; E89-V93 HydrophobicContact CG-CG2 4.17Å; E89-V93 WeakPolarHBondContact O-CB 3.48Å; E89-V93 WeakPolarHBondContact O-CG2 3.44Å; E89-V93 PolarHBondContact O-N 3.28Å; A90-V93 PolarHBondContact O-N 3.45Å; V93-R96 PolarHBondContact O-N 3.32Å; V93-A97 PolarHBondContact O-N 3.38Å |
| 94 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 177.7 | -72.9 | 166 | 0 | 0 | 0 | 111.9 | F75 L82 A90 R96 A97 H98 I112 L115 L116 A119 | F75-L94 HydrophobicContact CD2-CD2 4.39Å; L82-L94 HydrophobicContact CD1-CD1 4.08Å; L82-L94 HydrophobicContact CG-CD1 4.48Å; A90-L94 VanDerWaalsContact O-CB 3.24Å; A90-L94 WeakPolarHBondContact O-CB 3.47Å; A90-L94 WeakPolarHBondContact O-CD1 3.37Å; A90-L94 WeakPolarHBondContact O-CG 3.35Å; A90-L94 PolarHBondContact O-N 2.74Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 2.89Å; L94-A97 WeakPolarHBondContact O-CB 3.47Å; L94-A97 PolarHBondContact O-N 3.33Å; L94-H98 PolarHBondContact O-N 2.95Å; L94-I112 VanDerWaalsContact O-CG2 3.24Å; L94-I112 WeakPolarHBondContact O-CG2 3.36Å; L94-L115 HydrophobicContact CD1-CB 3.71Å; L94-L115 HydrophobicContact CD2-CB 3.91Å; L94-L115 HydrophobicContact CD2-CD1 3.99Å; L94-L115 HydrophobicContact CG-CB 4.46Å; L94-L116 HydrophobicContact CB-CB 4.39Å; L94-L116 HydrophobicContact CB-CD1 4Å; L94-A119 HydrophobicContact CD1-CB 4.16Å |
| 95 | W | 94.4 | Very high | 93.6 | Very high | 124 Ų | 124 | 64.5 Ų | 64.5 | 47% | 0.47 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 173.9 | -173.7 | 80.5 | 0 | 0 | 0 | 110.9 | A91 K92 A97 H98 E99 L116 | A91-W95 VanDerWaalsContact O-CB 3.23Å; A91-W95 WeakPolarHBondContact O-CB 3.17Å; A91-W95 PolarHBondContact O-N 2.92Å; K92-W95 PolarHBondContact O-N 2.99Å; W95-A97 VanDerWaalsContact C-N 3.34Å; W95-A97 PolarHBondContact O-N 2.77Å; W95-H98 WeakPolarHBondContact O-CB 3.33Å; W95-H98 PolarHBondContact O-N 2.88Å; W95-H98 VanDerWaalsContact O-N 3.11Å; W95-E99 HydrophobicContact CD2-CG 4.24Å; W95-E99 HydrophobicContact CE3-CG 4.19Å; W95-E99 HydrophobicContact CH2-CG 4.15Å; W95-E99 WeakPolarHBondContact CH2-OE1 3.23Å; W95-E99 HydrophobicContact CZ2-CG 4.16Å; W95-E99 WeakPolarHBondContact CZ2-OE1 3.38Å; W95-E99 HydrophobicContact CZ3-CG 4.15Å; W95-E99 WeakPolarHBondContact CZ3-OE1 3.33Å; W95-E99 WeakPolarHBondContact CZ3-OE2 3.32Å; W95-E99 PolarHBondContact O-N 3.37Å; W95-L116 HydrophobicContact CB-CD1 4.22Å |
| 96 | R | 95.4 | Very high | 92.9 | Very high | 98 Ų | 98 | 61.2 Ų | 61.2 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 173.9 | -172.2 | 56.4 | 176.7 | 177.8 | -0.7 | 112.9 | F74 K92 V93 L94 H98 E99 L100 | F74-R96 HydrophobicContact CD1-CB 4.04Å; F74-R96 HydrophobicContact CD1-CG 3.96Å; F74-R96 HydrophobicContact CD2-CG 4.27Å; F74-R96 HydrophobicContact CE1-CB 4.11Å; F74-R96 HydrophobicContact CE1-CG 3.65Å; F74-R96 HydrophobicContact CE2-CG 3.96Å; F74-R96 HydrophobicContact CG-CB 4.47Å; F74-R96 HydrophobicContact CG-CG 4.29Å; F74-R96 HydrophobicContact CZ-CG 3.65Å; K92-R96 PolarHBondContact O-N 3.48Å; K92-R96 VanDerWaalsContact O-N 3.08Å; V93-R96 PolarHBondContact O-N 3.32Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 2.89Å; R96-H98 VanDerWaalsContact C-N 3.3Å; R96-H98 PolarHBondContact O-N 2.98Å; R96-E99 IonicContact CZ-OE2 3.6Å; R96-E99 IonicContact NH1-OE2 3.08Å; R96-E99 PolarHBondContact NH1-OE2 2.82Å; R96-E99 PolarHBondContact O-N 3.33Å; R96-L100 HydrophobicContact CG-CD1 4.26Å; R96-L100 WeakPolarHBondContact O-CG 3.49Å; R96-L100 PolarHBondContact O-N 3.49Å; R96-L100 VanDerWaalsContact O-N 3.1Å |
| 97 | A | 95 | Very high | 92 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F74 V93 L94 W95 L100 S101 I112 | F74-A97 HydrophobicContact CB-CB 3.62Å; V93-A97 PolarHBondContact O-N 3.38Å; L94-A97 WeakPolarHBondContact O-CB 3.47Å; L94-A97 PolarHBondContact O-N 3.33Å; W95-A97 VanDerWaalsContact C-N 3.34Å; W95-A97 PolarHBondContact O-N 2.77Å; A97-L100 PolarHBondContact O-N 3.31Å; A97-S101 VanDerWaalsContact O-CB 3.3Å; A97-S101 WeakPolarHBondContact O-CB 3.38Å; A97-S101 PolarHBondContact O-N 3.31Å; A97-I112 HydrophobicContact CB-CD1 3.97Å; A97-I112 HydrophobicContact CB-CG1 4.38Å; A97-I112 HydrophobicContact CB-CG2 4.17Å |
| 98 | H | 92 | Very high | 90.9 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 179.4 | -177.1 | 78.7 | 0 | 0 | 0 | 111.4 | L94 W95 R96 L100 S101 K102 I112 T113 | L94-H98 PolarHBondContact O-N 2.95Å; W95-H98 WeakPolarHBondContact O-CB 3.33Å; W95-H98 PolarHBondContact O-N 2.88Å; W95-H98 VanDerWaalsContact O-N 3.11Å; R96-H98 VanDerWaalsContact C-N 3.3Å; R96-H98 PolarHBondContact O-N 2.98Å; H98-L100 PolarHBondContact O-N 3.37Å; H98-S101 PolarHBondContact O-N 3.19Å; H98-K102 WeakPolarHBondContact O-CB 3.46Å; H98-K102 PolarHBondContact O-N 2.82Å; H98-I112 HydrophobicContact CB-CG2 3.71Å; H98-T113 PolarHBondContact ND1-OG1 3.48Å |
| 99 | E | 91.4 | Very high | 89.8 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 176.5 | -68.5 | -167.3 | 127.6 | 0 | 0 | 112.5 | W95 R96 K102 A103 | W95-E99 HydrophobicContact CD2-CG 4.24Å; W95-E99 HydrophobicContact CE3-CG 4.19Å; W95-E99 HydrophobicContact CH2-CG 4.15Å; W95-E99 WeakPolarHBondContact CH2-OE1 3.23Å; W95-E99 HydrophobicContact CZ2-CG 4.16Å; W95-E99 WeakPolarHBondContact CZ2-OE1 3.38Å; W95-E99 HydrophobicContact CZ3-CG 4.15Å; W95-E99 WeakPolarHBondContact CZ3-OE1 3.33Å; W95-E99 WeakPolarHBondContact CZ3-OE2 3.32Å; W95-E99 PolarHBondContact O-N 3.37Å; R96-E99 IonicContact CZ-OE2 3.6Å; R96-E99 IonicContact NH1-OE2 3.08Å; R96-E99 PolarHBondContact NH1-OE2 2.82Å; R96-E99 PolarHBondContact O-N 3.33Å; E99-K102 WeakPolarHBondContact O-CB 3.23Å; E99-K102 PolarHBondContact O-N 3.14Å; E99-A103 WeakPolarHBondContact O-CB 3.38Å; E99-A103 PolarHBondContact O-N 2.93Å |
| 100 | L | 93.3 | Very high | 89 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -39.3 | -179.9 | -71.4 | 173.1 | 0 | 0 | 0 | 111.7 | F69 V71 F74 R96 A97 H98 K102 A103 Q104 | F69-L100 HydrophobicContact CD1-CD2 3.87Å; V71-L100 HydrophobicContact CG2-CB 3.71Å; F74-L100 HydrophobicContact CD2-CD1 3.54Å; F74-L100 HydrophobicContact CE2-CD1 3.42Å; F74-L100 VanDerWaalsContact CE2-CD1 3.42Å; F74-L100 HydrophobicContact CZ-CD1 4.47Å; R96-L100 HydrophobicContact CG-CD1 4.26Å; R96-L100 WeakPolarHBondContact O-CG 3.49Å; R96-L100 PolarHBondContact O-N 3.49Å; R96-L100 VanDerWaalsContact O-N 3.1Å; A97-L100 PolarHBondContact O-N 3.31Å; H98-L100 PolarHBondContact O-N 3.37Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 2.87Å; L100-A103 PolarHBondContact O-N 3.09Å; L100-Q104 VanDerWaalsContact O-CB 3.32Å; L100-Q104 WeakPolarHBondContact O-CB 3.29Å; L100-Q104 VanDerWaalsContact O-CG 3.3Å; L100-Q104 WeakPolarHBondContact O-CG 3.42Å; L100-Q104 PolarHBondContact O-N 3.33Å |
| 101 | S | 91.5 | Very high | 88.5 | Confident | 4 Ų | 4 | 72 Ų | 72 | 3% | 0.028 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 173.9 | -169 | 0 | 0 | 0 | 0 | 111.2 | A97 H98 K105 L106 | A97-S101 VanDerWaalsContact O-CB 3.3Å; A97-S101 WeakPolarHBondContact O-CB 3.38Å; A97-S101 PolarHBondContact O-N 3.31Å; H98-S101 PolarHBondContact O-N 3.19Å; S101-K105 PolarHBondContact O-N 3.23Å; S101-K105 VanDerWaalsContact O-N 3.07Å; S101-L106 PolarHBondContact O-N 2.88Å; S101-L106 PolarHBondContact OG-O 3.08Å |
| 102 | K | 86.3 | Confident | 88.3 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 176.7 | -175.4 | 166.7 | -179 | 157.8 | 0 | 111.9 | H98 E99 L100 K105 E231 | H98-K102 WeakPolarHBondContact O-CB 3.46Å; H98-K102 PolarHBondContact O-N 2.82Å; E99-K102 WeakPolarHBondContact O-CB 3.23Å; E99-K102 PolarHBondContact O-N 3.14Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 2.87Å; K102-K105 PolarHBondContact O-N 2.82Å; K102-E231 WeakPolarHBondContact CE-OE1 3.41Å; K102-E231 IonicContact NZ-OE1 3.38Å; K102-E231 PolarHBondContact NZ-OE1 3.28Å; K102-E231 IonicContact NZ-OE2 3.59Å; K102-E231 PolarHBondContact NZ-OE2 3.47Å |
| 103 | A | 89.9 | Confident | 87.9 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 66% | 0.661 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.5 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E99 L100 K105 | E99-A103 WeakPolarHBondContact O-CB 3.38Å; E99-A103 PolarHBondContact O-N 2.93Å; L100-A103 PolarHBondContact O-N 3.09Å; A103-K105 VanDerWaalsContact C-N 3.34Å |
| 104 | Q | 90.4 | Very high | 87.5 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.9 | -179.3 | -64.3 | 175.6 | 27.2 | 0 | 0 | 113.6 | F69 L100 L106 | F69-Q104 PolarHBondContact O-NE2 3.13Å; L100-Q104 VanDerWaalsContact O-CB 3.32Å; L100-Q104 WeakPolarHBondContact O-CB 3.29Å; L100-Q104 VanDerWaalsContact O-CG 3.3Å; L100-Q104 WeakPolarHBondContact O-CG 3.42Å; L100-Q104 PolarHBondContact O-N 3.33Å; Q104-L106 VanDerWaalsContact C-N 3.26Å; Q104-L106 HydrophobicContact CB-CD1 3.89Å; Q104-L106 HydrophobicContact CB-CG 3.85Å; Q104-L106 PolarHBondContact O-N 3.47Å |
| 105 | K | 85 | Confident | 87.4 | Confident | 186 Ų | 186 | 70.7 Ų | 70.7 | 81% | 0.809 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 39.7 | -176.8 | -56.7 | 178.1 | 179.3 | 179.6 | 0 | 113 | S101 K102 A103 | S101-K105 PolarHBondContact O-N 3.23Å; S101-K105 VanDerWaalsContact O-N 3.07Å; K102-K105 PolarHBondContact O-N 2.82Å; A103-K105 VanDerWaalsContact C-N 3.34Å |
| 106 | L | 81.7 | Confident | 87.2 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 37% | 0.366 | 34% | 0.337 | S | S | . | . | trans | -93.2 | 144.4 | 178.7 | -63.9 | 171.9 | 0 | 0 | 0 | 111.5 | V71 S101 Q104 Y108 | V71-L106 HydrophobicContact CB-CD1 4.19Å; V71-L106 HydrophobicContact CG2-CD1 3.8Å; S101-L106 PolarHBondContact O-N 2.88Å; S101-L106 PolarHBondContact OG-O 3.08Å; Q104-L106 VanDerWaalsContact C-N 3.26Å; Q104-L106 HydrophobicContact CB-CD1 3.89Å; Q104-L106 HydrophobicContact CB-CG 3.85Å; Q104-L106 PolarHBondContact O-N 3.47Å; L106-Y108 HydrophobicContact CB-CD2 3.75Å; L106-Y108 HydrophobicContact CB-CE2 4.19Å; L106-Y108 HydrophobicContact CD1-CD2 4.23Å; L106-Y108 HydrophobicContact CD1-CE2 4.13Å; L106-Y108 PolarHBondContact O-N 3Å | ||
| 107 | N | 76.9 | Confident | 86.9 | Confident | 169 Ų | 169 | 64 Ų | 64 | 90% | 0.904 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 50.1 | -179.8 | -64.7 | -17 | 0 | 0 | 0 | 112.7 | ||
| 108 | Y | 72.9 | Confident | 86.7 | Confident | 62 Ų | 62 | 66 Ų | 66 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -2.1 | 171.5 | -70.3 | -79.5 | 0 | 0 | 0 | 113.5 | V71 K72 L106 D110 Q111 I112 | V71-Y108 HydrophobicContact CG1-CD2 3.84Å; V71-Y108 HydrophobicContact CG1-CE2 4.38Å; V71-Y108 HydrophobicContact CG1-CG 4.26Å; K72-Y108 WeakPolarHBondContact CE-OH 3.34Å; L106-Y108 HydrophobicContact CB-CD2 3.75Å; L106-Y108 HydrophobicContact CB-CE2 4.19Å; L106-Y108 HydrophobicContact CD1-CD2 4.23Å; L106-Y108 HydrophobicContact CD1-CE2 4.13Å; L106-Y108 PolarHBondContact O-N 3Å; Y108-D110 PolarHBondContact O-N 2.86Å; Y108-Q111 PolarHBondContact O-N 3.4Å; Y108-I112 VanDerWaalsContact CB-CD1 3.41Å; Y108-I112 HydrophobicContact CG-CD1 4.43Å; Y108-I112 WeakPolarHBondContact O-CG1 3.46Å; Y108-I112 PolarHBondContact O-N 2.6Å |
| 109 | G | 71.5 | Confident | 86.8 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -47.2 | -59.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q111 I112 T113 | G109-Q111 PolarHBondContact O-N 3.09Å; G109-I112 PolarHBondContact O-N 2.7Å; G109-T113 VanDerWaalsContact O-CB 3.3Å; G109-T113 WeakPolarHBondContact O-CB 3.32Å; G109-T113 PolarHBondContact O-N 2.97Å; G109-T113 PolarHBondContact O-OG1 3.49Å |
| 110 | D | 79.7 | Confident | 86.7 | Confident | 147 Ų | 147 | 63 Ų | 63 | 79% | 0.786 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.4 | -40.7 | -173.4 | -59.7 | -20.8 | 0 | 0 | 0 | 113.1 | Y108 S114 | Y108-D110 PolarHBondContact O-N 2.86Å; D110-S114 WeakPolarHBondContact O-CB 3.32Å; D110-S114 PolarHBondContact O-N 3.38Å |
| 111 | Q | 87.9 | Confident | 86.5 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.5 | -44.4 | 179.3 | -65.8 | -174.8 | 35.3 | 0 | 0 | 111.5 | F75 Y108 G109 L115 | F75-Q111 HydrophobicContact CE2-CB 3.97Å; F75-Q111 HydrophobicContact CZ-CB 3.9Å; Y108-Q111 PolarHBondContact O-N 3.4Å; G109-Q111 PolarHBondContact O-N 3.09Å; Q111-L115 WeakPolarHBondContact O-CG 3.36Å; Q111-L115 PolarHBondContact O-N 3.46Å; Q111-L115 VanDerWaalsContact O-N 3.11Å |
| 112 | I | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 178.5 | -63.6 | 167.5 | 0 | 0 | 0 | 109.8 | V71 F75 L94 A97 H98 Y108 G109 S114 L115 L116 | V71-I112 HydrophobicContact CG1-CD1 4.1Å; F75-I112 HydrophobicContact CD2-CG1 3.63Å; F75-I112 HydrophobicContact CE2-CG1 4.02Å; F75-I112 HydrophobicContact CG-CG1 4.46Å; L94-I112 VanDerWaalsContact O-CG2 3.24Å; L94-I112 WeakPolarHBondContact O-CG2 3.36Å; A97-I112 HydrophobicContact CB-CD1 3.97Å; A97-I112 HydrophobicContact CB-CG1 4.38Å; A97-I112 HydrophobicContact CB-CG2 4.17Å; H98-I112 HydrophobicContact CB-CG2 3.71Å; Y108-I112 VanDerWaalsContact CB-CD1 3.41Å; Y108-I112 HydrophobicContact CG-CD1 4.43Å; Y108-I112 WeakPolarHBondContact O-CG1 3.46Å; Y108-I112 PolarHBondContact O-N 2.6Å; G109-I112 PolarHBondContact O-N 2.7Å; I112-S114 VanDerWaalsContact C-N 3.35Å; I112-S114 PolarHBondContact O-N 2.92Å; I112-L115 PolarHBondContact O-N 3.37Å; I112-L116 WeakPolarHBondContact O-CB 3.43Å; I112-L116 PolarHBondContact O-N 3.45Å |
| 113 | T | 87.1 | Confident | 86.7 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 16% | 0.16 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.9 | -41.3 | -179.9 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | H98 G109 L115 L116 R117 | H98-T113 PolarHBondContact ND1-OG1 3.48Å; G109-T113 VanDerWaalsContact O-CB 3.3Å; G109-T113 WeakPolarHBondContact O-CB 3.32Å; G109-T113 PolarHBondContact O-N 2.97Å; G109-T113 PolarHBondContact O-OG1 3.49Å; T113-L115 PolarHBondContact O-N 2.95Å; T113-L116 PolarHBondContact O-N 3.32Å; T113-R117 WeakPolarHBondContact O-CG 3.49Å; T113-R117 PolarHBondContact O-N 2.83Å |
| 114 | S | 89.1 | Confident | 86.6 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 44% | 0.441 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 175 | 178.9 | 0 | 0 | 0 | 0 | 112.8 | D110 I112 R117 T118 | D110-S114 WeakPolarHBondContact O-CB 3.32Å; D110-S114 PolarHBondContact O-N 3.38Å; I112-S114 VanDerWaalsContact C-N 3.35Å; I112-S114 PolarHBondContact O-N 2.92Å; S114-R117 PolarHBondContact O-N 2.98Å; S114-T118 PolarHBondContact O-N 2.8Å; S114-T118 VanDerWaalsContact O-N 3.09Å; S114-T118 PolarHBondContact O-OG1 3.08Å |
| 115 | L | 93.3 | Very high | 86.4 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 175.4 | -67.1 | 178.8 | 0 | 0 | 0 | 112.2 | F75 K79 L82 L94 Q111 I112 T113 R117 T118 A119 | F75-L115 HydrophobicContact CD2-CD1 3.98Å; F75-L115 HydrophobicContact CE2-CD1 3.42Å; F75-L115 VanDerWaalsContact CE2-CD1 3.42Å; F75-L115 HydrophobicContact CZ-CD1 4.13Å; K79-L115 HydrophobicContact CD-CD1 4.19Å; K79-L115 HydrophobicContact CG-CD1 3.4Å; K79-L115 VanDerWaalsContact CG-CD1 3.4Å; L82-L115 HydrophobicContact CD1-CB 3.9Å; L82-L115 HydrophobicContact CD1-CD2 3.68Å; L82-L115 HydrophobicContact CD1-CG 4.25Å; L94-L115 HydrophobicContact CD1-CB 3.71Å; L94-L115 HydrophobicContact CD2-CB 3.91Å; L94-L115 HydrophobicContact CD2-CD1 3.99Å; L94-L115 HydrophobicContact CG-CB 4.46Å; Q111-L115 WeakPolarHBondContact O-CG 3.36Å; Q111-L115 PolarHBondContact O-N 3.46Å; Q111-L115 VanDerWaalsContact O-N 3.11Å; I112-L115 PolarHBondContact O-N 3.37Å; T113-L115 PolarHBondContact O-N 2.95Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 3.47Å; L115-T118 WeakPolarHBondContact O-CB 3.39Å; L115-T118 PolarHBondContact O-N 3.46Å; L115-A119 WeakPolarHBondContact O-CB 2.85Å; L115-A119 PolarHBondContact O-N 3.11Å |
| 116 | L | 91.2 | Very high | 86.6 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 178 | -176 | 65.3 | 0 | 0 | 0 | 111 | A91 L94 W95 I112 T113 A119 R120 | A91-L116 HydrophobicContact CB-CD1 4.27Å; A91-L116 VanDerWaalsContact O-CD1 3.3Å; A91-L116 WeakPolarHBondContact O-CD1 3.48Å; L94-L116 HydrophobicContact CB-CB 4.39Å; L94-L116 HydrophobicContact CB-CD1 4Å; W95-L116 HydrophobicContact CB-CD1 4.22Å; I112-L116 WeakPolarHBondContact O-CB 3.43Å; I112-L116 PolarHBondContact O-N 3.45Å; T113-L116 PolarHBondContact O-N 3.32Å; L116-A119 PolarHBondContact O-N 3.42Å; L116-R120 WeakPolarHBondContact O-CG 3.47Å; L116-R120 PolarHBondContact O-N 3.49Å |
| 117 | R | 88.3 | Confident | 86.9 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 28% | 0.279 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 173.4 | -69.8 | 179.3 | -162.8 | 147.9 | 10.1 | 111.5 | T113 S114 L115 A119 R120 R121 I207 S208 F209 | T113-R117 WeakPolarHBondContact O-CG 3.49Å; T113-R117 PolarHBondContact O-N 2.83Å; S114-R117 PolarHBondContact O-N 2.98Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 3.47Å; R117-A119 VanDerWaalsContact C-N 3.34Å; R117-A119 PolarHBondContact O-N 2.99Å; R117-R120 PolarHBondContact O-N 2.92Å; R117-R121 WeakPolarHBondContact O-CB 3.24Å; R117-R121 PolarHBondContact O-N 2.94Å; R117-I207 PolarHBondContact NH2-O 3.45Å; R117-S208 PolarHBondContact NE-O 3.24Å; R117-S208 PolarHBondContact NH2-O 3.25Å; R117-F209 VanDerWaalsContact CZ-CD2 3.48Å |
| 118 | T | 91.1 | Very high | 87.3 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58 | -47.6 | 175.7 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | L82 S114 L115 R120 R121 E122 | L82-T118 HydrophobicContact CD2-CG2 4.41Å; S114-T118 PolarHBondContact O-N 2.8Å; S114-T118 VanDerWaalsContact O-N 3.09Å; S114-T118 PolarHBondContact O-OG1 3.08Å; L115-T118 WeakPolarHBondContact O-CB 3.39Å; L115-T118 PolarHBondContact O-N 3.46Å; T118-R120 PolarHBondContact O-N 2.85Å; T118-R121 PolarHBondContact O-N 3.32Å; T118-E122 HydrophobicContact CG2-CG 4.35Å; T118-E122 WeakPolarHBondContact O-CG 3.27Å; T118-E122 PolarHBondContact O-N 3.27Å |
| 119 | A | 93.4 | Very high | 88 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L82 A90 A91 L94 L115 L116 R117 R123 | L82-A119 HydrophobicContact CD2-CB 3.64Å; L82-A119 HydrophobicContact CG-CB 4.48Å; A90-A119 HydrophobicContact CB-CB 4.21Å; A91-A119 HydrophobicContact CB-CB 4.07Å; L94-A119 HydrophobicContact CD1-CB 4.16Å; L115-A119 WeakPolarHBondContact O-CB 2.85Å; L115-A119 PolarHBondContact O-N 3.11Å; L116-A119 PolarHBondContact O-N 3.42Å; R117-A119 VanDerWaalsContact C-N 3.34Å; R117-A119 PolarHBondContact O-N 2.99Å; A119-R123 VanDerWaalsContact O-CB 3.23Å; A119-R123 WeakPolarHBondContact O-CB 3.39Å; A119-R123 PolarHBondContact O-N 3.14Å |
| 120 | R | 90 | Very high | 88.9 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 21% | 0.208 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 178.6 | -76.4 | -174.6 | -175.7 | 163.3 | 3.9 | 112.4 | L116 R117 T118 R123 F124 E210 F275 | L116-R120 WeakPolarHBondContact O-CG 3.47Å; L116-R120 PolarHBondContact O-N 3.49Å; R117-R120 PolarHBondContact O-N 2.92Å; T118-R120 PolarHBondContact O-N 2.85Å; R120-R123 PolarHBondContact O-N 3.48Å; R120-F124 WeakPolarHBondContact O-CB 3.43Å; R120-F124 PolarHBondContact O-N 3.15Å; R120-E210 IonicContact CZ-OE1 2.83Å; R120-E210 IonicContact NH1-OE1 3.06Å; R120-E210 PolarHBondContact NH1-OE1 3.39Å; R120-E210 IonicContact NH1-OE2 2.88Å; R120-F275 WeakPolarHBondContact CB-O 3.45Å; R120-F275 WeakPolarHBondContact CD-O 3.28Å |
| 121 | R | 88.7 | Confident | 89.2 | Confident | 127 Ų | 127 | 62.7 Ų | 62.7 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 178.5 | -174.6 | -176.3 | 66.6 | -148.8 | -5.1 | 111.9 | R117 T118 F124 R125 | R117-R121 WeakPolarHBondContact O-CB 3.24Å; R117-R121 PolarHBondContact O-N 2.94Å; T118-R121 PolarHBondContact O-N 3.32Å; R121-F124 PolarHBondContact O-N 2.89Å; R121-R125 WeakPolarHBondContact O-CB 3.18Å; R121-R125 PolarHBondContact O-N 3.16Å |
| 122 | E | 91.4 | Very high | 89.1 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.8 | -35.9 | 179.4 | -61 | -45 | 130 | 0 | 0 | 111.9 | Y87 T118 R125 I126 | Y87-E122 HydrophobicContact CD1-CB 3.44Å; Y87-E122 VanDerWaalsContact CD1-CB 3.44Å; Y87-E122 HydrophobicContact CD1-CG 4.18Å; Y87-E122 HydrophobicContact CD2-CB 4.18Å; Y87-E122 HydrophobicContact CE1-CB 3.35Å; Y87-E122 HydrophobicContact CE1-CG 3.72Å; Y87-E122 HydrophobicContact CE2-CB 4.07Å; Y87-E122 HydrophobicContact CG-CB 3.85Å; T118-E122 HydrophobicContact CG2-CG 4.35Å; T118-E122 WeakPolarHBondContact O-CG 3.27Å; T118-E122 PolarHBondContact O-N 3.27Å; E122-R125 WeakPolarHBondContact O-CB 3.5Å; E122-R125 PolarHBondContact O-N 3.21Å; E122-R125 IonicContact OE2-NH1 3.91Å; E122-R125 PolarHBondContact OE2-NH1 2.69Å; E122-I126 PolarHBondContact O-N 3.44Å |
| 123 | R | 90.6 | Very high | 89.1 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 171 | 180 | -167.5 | 67.9 | 172.7 | 2.3 | 111.2 | A119 R120 R125 I126 E127 D274 | A119-R123 VanDerWaalsContact O-CB 3.23Å; A119-R123 WeakPolarHBondContact O-CB 3.39Å; A119-R123 PolarHBondContact O-N 3.14Å; R120-R123 PolarHBondContact O-N 3.48Å; R123-R125 VanDerWaalsContact C-N 3.31Å; R123-R125 PolarHBondContact O-N 3.46Å; R123-I126 PolarHBondContact O-N 2.94Å; R123-E127 PolarHBondContact O-N 2.84Å; R123-E127 VanDerWaalsContact O-N 3.16Å; R123-D274 PolarHBondContact NH2-O 3.35Å |
| 124 | F | 87.3 | Confident | 89.2 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 178.9 | -177.6 | -92.6 | 0 | 0 | 0 | 111.1 | R120 R121 I126 E127 E128 R197 W271 F275 | R120-F124 WeakPolarHBondContact O-CB 3.43Å; R120-F124 PolarHBondContact O-N 3.15Å; R121-F124 PolarHBondContact O-N 2.89Å; F124-I126 PolarHBondContact O-N 3.1Å; F124-E127 PolarHBondContact O-N 3.44Å; F124-E128 WeakPolarHBondContact O-CB 3Å; F124-E128 PolarHBondContact O-N 2.95Å; F124-R197 HydrophobicContact CE1-CB 3.69Å; F124-R197 HydrophobicContact CZ-CB 3.73Å; F124-W271 HydrophobicContact CE2-CE3 4.05Å; F124-W271 HydrophobicContact CZ-CD2 4.3Å; F124-W271 AromaticContact CZ-CE3 3.64Å; F124-W271 HydrophobicContact CZ-CE3 3.64Å; F124-W271 HydrophobicContact CZ-CZ3 4.19Å; F124-F275 AromaticContact CD1-CD2 3.93Å; F124-F275 HydrophobicContact CD1-CD2 3.93Å; F124-F275 AromaticContact CD1-CE2 3.93Å; F124-F275 HydrophobicContact CD1-CE2 3.93Å; F124-F275 HydrophobicContact CD2-CD2 4.13Å; F124-F275 HydrophobicContact CE1-CD2 4.14Å; F124-F275 HydrophobicContact CE1-CE2 4.25Å; F124-F275 HydrophobicContact CE2-CD2 4.34Å; F124-F275 AromaticContact CG-CD2 3.93Å; F124-F275 HydrophobicContact CG-CD2 3.93Å; F124-F275 HydrophobicContact CG-CE2 4.27Å; F124-F275 HydrophobicContact CZ-CD2 4.34Å |
| 125 | R | 87.1 | Confident | 89.2 | Confident | 137 Ų | 137 | 65.3 Ų | 65.3 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 175.3 | -178.2 | -174.5 | 172.1 | -174.7 | -1.6 | 112.6 | R121 E122 R123 E128 E129 | R121-R125 WeakPolarHBondContact O-CB 3.18Å; R121-R125 PolarHBondContact O-N 3.16Å; E122-R125 WeakPolarHBondContact O-CB 3.5Å; E122-R125 PolarHBondContact O-N 3.21Å; E122-R125 IonicContact OE2-NH1 3.91Å; E122-R125 PolarHBondContact OE2-NH1 2.69Å; R123-R125 VanDerWaalsContact C-N 3.31Å; R123-R125 PolarHBondContact O-N 3.46Å; R125-E128 WeakPolarHBondContact O-CB 3.39Å; R125-E128 PolarHBondContact O-N 2.83Å; R125-E129 HydrophobicContact CG-CG 4.45Å; R125-E129 IonicContact CZ-OE1 3.9Å; R125-E129 IonicContact NE-OE1 2.84Å; R125-E129 PolarHBondContact NE-OE1 3.08Å; R125-E129 IonicContact NH2-OE1 2.69Å; R125-E129 PolarHBondContact NH2-OE1 3.45Å; R125-E129 WeakPolarHBondContact O-CB 3.32Å; R125-E129 WeakPolarHBondContact O-CG 3.17Å; R125-E129 PolarHBondContact O-N 3.32Å |
| 126 | I | 89.9 | Confident | 89 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 177.7 | -79.1 | 163.8 | 0 | 0 | 0 | 111.6 | Y87 E122 R123 F124 E128 E129 R130 | Y87-I126 HydrophobicContact CD2-CD1 3.31Å; Y87-I126 HydrophobicContact CE2-CD1 3.29Å; E122-I126 PolarHBondContact O-N 3.44Å; R123-I126 PolarHBondContact O-N 2.94Å; F124-I126 PolarHBondContact O-N 3.1Å; I126-E128 PolarHBondContact O-N 3.41Å; I126-E129 PolarHBondContact O-N 2.85Å; I126-R130 WeakPolarHBondContact O-CB 3.28Å; I126-R130 PolarHBondContact O-N 3.17Å |
| 127 | E | 87.4 | Confident | 89.2 | Confident | 105 Ų | 105 | 70 Ų | 70 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -35 | 178.2 | -170 | 59.2 | -160.6 | 0 | 0 | 110.9 | R123 F124 R130 R131 | R123-E127 PolarHBondContact O-N 2.84Å; R123-E127 VanDerWaalsContact O-N 3.16Å; F124-E127 PolarHBondContact O-N 3.44Å; E127-R130 WeakPolarHBondContact O-CB 3.45Å; E127-R130 PolarHBondContact O-N 3.37Å; E127-R130 IonicContact OE2-NH1 3.19Å; E127-R131 PolarHBondContact O-N 3.38Å |
| 128 | E | 85.4 | Confident | 89.5 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.8 | -46.3 | 175.8 | -166.5 | 70 | 163.2 | 0 | 0 | 112.8 | F124 R125 I126 R130 R131 V132 R197 | F124-E128 WeakPolarHBondContact O-CB 3Å; F124-E128 PolarHBondContact O-N 2.95Å; R125-E128 WeakPolarHBondContact O-CB 3.39Å; R125-E128 PolarHBondContact O-N 2.83Å; I126-E128 PolarHBondContact O-N 3.41Å; E128-R130 VanDerWaalsContact C-N 3.25Å; E128-R130 PolarHBondContact O-N 2.59Å; E128-R131 VanDerWaalsContact CD-CZ 3.41Å; E128-R131 VanDerWaalsContact CD-NH2 3.3Å; E128-R131 PolarHBondContact O-N 3.4Å; E128-R131 IonicContact OE1-CZ 2.7Å; E128-R131 IonicContact OE1-NH1 2.93Å; E128-R131 PolarHBondContact OE1-NH1 3.4Å; E128-R131 IonicContact OE1-NH2 2.77Å; E128-R131 PolarHBondContact OE1-NH2 2.85Å; E128-R131 IonicContact OE2-CZ 3.43Å; E128-R131 IonicContact OE2-NE 2.78Å; E128-R131 IonicContact OE2-NH1 3.46Å; E128-R131 PolarHBondContact OE2-NH1 2.93Å; E128-R131 IonicContact OE2-NH2 3.53Å; E128-V132 WeakPolarHBondContact O-CG2 3.37Å; E128-V132 PolarHBondContact O-N 3.45Å; E128-R197 WeakPolarHBondContact OE1-CD 3.47Å; E128-R197 IonicContact OE1-NE 3.67Å |
| 129 | E | 87.8 | Confident | 89.6 | Confident | 95 Ų | 95 | 70.2 Ų | 70.2 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.8 | -38.5 | 174.5 | -74.3 | 175.2 | -174.2 | 0 | 0 | 111.1 | R125 I126 S133 | R125-E129 HydrophobicContact CG-CG 4.45Å; R125-E129 IonicContact CZ-OE1 3.9Å; R125-E129 IonicContact NE-OE1 2.84Å; R125-E129 PolarHBondContact NE-OE1 3.08Å; R125-E129 IonicContact NH2-OE1 2.69Å; R125-E129 PolarHBondContact NH2-OE1 3.45Å; R125-E129 WeakPolarHBondContact O-CB 3.32Å; R125-E129 WeakPolarHBondContact O-CG 3.17Å; R125-E129 PolarHBondContact O-N 3.32Å; I126-E129 PolarHBondContact O-N 2.85Å; E129-S133 WeakPolarHBondContact O-CB 3.39Å; E129-S133 PolarHBondContact O-N 3.44Å; E129-S133 PolarHBondContact O-OG 2.79Å |
| 130 | R | 89.9 | Confident | 89.8 | Confident | 143 Ų | 143 | 73.6 Ų | 73.6 | 54% | 0.54 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 174.1 | -176.2 | -174.4 | -173.6 | 178.3 | 4 | 111.7 | I126 E127 E128 S133 Q134 | I126-R130 WeakPolarHBondContact O-CB 3.28Å; I126-R130 PolarHBondContact O-N 3.17Å; E127-R130 WeakPolarHBondContact O-CB 3.45Å; E127-R130 PolarHBondContact O-N 3.37Å; E127-R130 IonicContact OE2-NH1 3.19Å; E128-R130 VanDerWaalsContact C-N 3.25Å; E128-R130 PolarHBondContact O-N 2.59Å; R130-S133 PolarHBondContact O-N 2.92Å; R130-Q134 WeakPolarHBondContact O-CG 3.3Å; R130-Q134 PolarHBondContact O-N 3.2Å |
| 131 | R | 85.6 | Confident | 90.1 | Very high | 43 Ų | 43 | 77.4 Ų | 77.4 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 178.3 | -170.5 | -161.4 | 74.9 | -138.5 | -9 | 110.9 | E127 E128 S133 Q134 E135 R197 | E127-R131 PolarHBondContact O-N 3.38Å; E128-R131 VanDerWaalsContact CD-CZ 3.41Å; E128-R131 VanDerWaalsContact CD-NH2 3.3Å; E128-R131 PolarHBondContact O-N 3.4Å; E128-R131 IonicContact OE1-CZ 2.7Å; E128-R131 IonicContact OE1-NH1 2.93Å; E128-R131 PolarHBondContact OE1-NH1 3.4Å; E128-R131 IonicContact OE1-NH2 2.77Å; E128-R131 PolarHBondContact OE1-NH2 2.85Å; E128-R131 IonicContact OE2-CZ 3.43Å; E128-R131 IonicContact OE2-NE 2.78Å; E128-R131 IonicContact OE2-NH1 3.46Å; E128-R131 PolarHBondContact OE2-NH1 2.93Å; E128-R131 IonicContact OE2-NH2 3.53Å; R131-S133 VanDerWaalsContact C-N 3.28Å; R131-S133 PolarHBondContact O-N 3.35Å; R131-Q134 WeakPolarHBondContact O-CB 3.34Å; R131-Q134 PolarHBondContact O-N 2.97Å; R131-Q134 VanDerWaalsContact O-N 3.14Å; R131-E135 IonicContact NE-OE1 2.8Å; R131-E135 PolarHBondContact NE-OE1 2.72Å; R131-E135 VanDerWaalsContact NE-OE1 3.09Å; R131-E135 WeakPolarHBondContact O-CG 3.23Å; R131-E135 PolarHBondContact O-N 3.08Å; R131-R197 VanDerWaalsContact NH1-NH1 3.17Å; R131-R197 VanDerWaalsContact NH1-NH2 3.14Å |
| 132 | V | 85.4 | Confident | 90.5 | Very high | 37 Ų | 37 | 74.1 Ų | 74.1 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 178.7 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | E128 Q134 E135 I136 R194 | E128-V132 WeakPolarHBondContact O-CG2 3.37Å; E128-V132 PolarHBondContact O-N 3.45Å; V132-Q134 PolarHBondContact O-N 2.98Å; V132-E135 PolarHBondContact O-N 3.44Å; V132-I136 HydrophobicContact CG1-CD1 3.79Å; V132-I136 HydrophobicContact CG1-CG1 4.4Å; V132-I136 VanDerWaalsContact O-CG1 3.32Å; V132-I136 WeakPolarHBondContact O-CG1 3.41Å; V132-I136 PolarHBondContact O-N 3.09Å; V132-R194 HydrophobicContact CG2-CG 4.42Å |
| 133 | S | 90 | Very high | 90.8 | Very high | 73 Ų | 73 | 74.3 Ų | 74.3 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | E129 R130 R131 A137 | E129-S133 WeakPolarHBondContact O-CB 3.39Å; E129-S133 PolarHBondContact O-N 3.44Å; E129-S133 PolarHBondContact O-OG 2.79Å; R130-S133 PolarHBondContact O-N 2.92Å; R131-S133 VanDerWaalsContact C-N 3.28Å; R131-S133 PolarHBondContact O-N 3.35Å; S133-A137 WeakPolarHBondContact O-CB 3.18Å; S133-A137 PolarHBondContact O-N 2.96Å |
| 134 | Q | 90.8 | Very high | 91.2 | Very high | 111 Ų | 111 | 74.6 Ų | 74.6 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 176.7 | -72.7 | 173.7 | -15 | 0 | 0 | 111.9 | R130 R131 V132 A137 L138 | R130-Q134 WeakPolarHBondContact O-CG 3.3Å; R130-Q134 PolarHBondContact O-N 3.2Å; R131-Q134 WeakPolarHBondContact O-CB 3.34Å; R131-Q134 PolarHBondContact O-N 2.97Å; R131-Q134 VanDerWaalsContact O-N 3.14Å; V132-Q134 PolarHBondContact O-N 2.98Å; Q134-A137 PolarHBondContact O-N 3.37Å; Q134-L138 WeakPolarHBondContact O-CB 3.24Å; Q134-L138 PolarHBondContact O-N 3.3Å |
| 135 | E | 88.4 | Confident | 91.7 | Very high | 34 Ų | 34 | 76.6 Ų | 76.6 | 16% | 0.159 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 176 | -70.4 | 172.1 | -165.6 | 0 | 0 | 111.8 | R131 V132 A137 L138 Q139 R194 | R131-E135 IonicContact NE-OE1 2.8Å; R131-E135 PolarHBondContact NE-OE1 2.72Å; R131-E135 VanDerWaalsContact NE-OE1 3.09Å; R131-E135 WeakPolarHBondContact O-CG 3.23Å; R131-E135 PolarHBondContact O-N 3.08Å; V132-E135 PolarHBondContact O-N 3.44Å; E135-A137 VanDerWaalsContact C-N 3.32Å; E135-A137 PolarHBondContact O-N 3.22Å; E135-L138 PolarHBondContact O-N 2.68Å; E135-Q139 PolarHBondContact O-N 2.96Å; E135-R194 IonicContact OE2-CZ 2.89Å; E135-R194 IonicContact OE2-NE 3.09Å; E135-R194 PolarHBondContact OE2-NE 3.24Å; E135-R194 IonicContact OE2-NH2 3.7Å; E135-R194 PolarHBondContact OE2-NH2 2.73Å |
| 136 | I | 89.9 | Confident | 92.2 | Very high | 78 Ų | 78 | 71.1 Ų | 71.1 | 40% | 0.4 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 175.1 | -69.3 | 168.6 | 0 | 0 | 0 | 110.3 | V132 L138 Q139 T140 | V132-I136 HydrophobicContact CG1-CD1 3.79Å; V132-I136 HydrophobicContact CG1-CG1 4.4Å; V132-I136 VanDerWaalsContact O-CG1 3.32Å; V132-I136 WeakPolarHBondContact O-CG1 3.41Å; V132-I136 PolarHBondContact O-N 3.09Å; I136-L138 VanDerWaalsContact C-N 3.31Å; I136-L138 PolarHBondContact O-N 2.84Å; I136-Q139 PolarHBondContact O-N 3.11Å; I136-T140 PolarHBondContact O-N 3.01Å; I136-T140 PolarHBondContact O-OG1 3.49Å; I136-T140 VanDerWaalsContact O-OG1 3.05Å |
| 137 | A | 94.7 | Very high | 92.6 | Very high | 60 Ų | 60 | 70.7 Ų | 70.7 | 50% | 0.496 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S133 Q134 E135 Y141 | S133-A137 WeakPolarHBondContact O-CB 3.18Å; S133-A137 PolarHBondContact O-N 2.96Å; Q134-A137 PolarHBondContact O-N 3.37Å; E135-A137 VanDerWaalsContact C-N 3.32Å; E135-A137 PolarHBondContact O-N 3.22Å; A137-Y141 WeakPolarHBondContact O-CB 3.35Å; A137-Y141 PolarHBondContact O-N 3.25Å |
| 138 | L | 94.9 | Very high | 93.1 | Very high | 90 Ų | 90 | 71.6 Ų | 71.6 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 175.9 | 180 | 62.5 | 0 | 0 | 0 | 112 | Q134 E135 I136 Y141 L142 F187 | Q134-L138 WeakPolarHBondContact O-CB 3.24Å; Q134-L138 PolarHBondContact O-N 3.3Å; E135-L138 PolarHBondContact O-N 2.68Å; I136-L138 VanDerWaalsContact C-N 3.31Å; I136-L138 PolarHBondContact O-N 2.84Å; L138-Y141 WeakPolarHBondContact O-CB 3.38Å; L138-Y141 PolarHBondContact O-N 3.47Å; L138-L142 HydrophobicContact CD1-CD1 4.32Å; L138-L142 HydrophobicContact CD1-CG 4.28Å; L138-L142 HydrophobicContact CG-CD1 4.17Å; L138-L142 WeakPolarHBondContact O-CG 3.11Å; L138-L142 PolarHBondContact O-N 3.27Å; L138-F187 HydrophobicContact CB-CZ 4.44Å; L138-F187 HydrophobicContact CD2-CE1 4.44Å; L138-F187 HydrophobicContact CD2-CZ 4.11Å; L138-F187 HydrophobicContact CG-CZ 4.03Å |
| 139 | Q | 93.6 | Very high | 93.7 | Very high | 32 Ų | 32 | 73.2 Ų | 73.2 | 15% | 0.15 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.2 | -50.8 | 176.7 | -177.9 | 179.1 | 8.2 | 0 | 0 | 110.7 | E135 I136 Y141 L142 L143 N184 F187 | E135-Q139 PolarHBondContact O-N 2.96Å; I136-Q139 PolarHBondContact O-N 3.11Å; Q139-Y141 VanDerWaalsContact C-N 3.31Å; Q139-Y141 PolarHBondContact O-N 3.46Å; Q139-L142 PolarHBondContact O-N 2.92Å; Q139-L143 HydrophobicContact CG-CD1 4.12Å; Q139-L143 HydrophobicContact CG-CG 4.48Å; Q139-L143 VanDerWaalsContact O-CG 3.31Å; Q139-L143 WeakPolarHBondContact O-CG 3.33Å; Q139-L143 PolarHBondContact O-N 3.4Å; Q139-N184 PolarHBondContact NE2-OD1 2.85Å; Q139-F187 HydrophobicContact CB-CD1 4.12Å; Q139-F187 HydrophobicContact CB-CD2 3.86Å; Q139-F187 HydrophobicContact CB-CE1 4.06Å; Q139-F187 HydrophobicContact CB-CE2 3.82Å; Q139-F187 HydrophobicContact CB-CG 4.04Å; Q139-F187 HydrophobicContact CB-CZ 3.93Å; Q139-F187 HydrophobicContact CG-CD2 3.69Å; Q139-F187 HydrophobicContact CG-CE2 4.04Å; Q139-F187 HydrophobicContact CG-CG 4.02Å |
| 140 | T | 96.1 | Very high | 94.2 | Very high | 71 Ų | 71 | 71.2 Ų | 71.2 | 44% | 0.436 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55.9 | -46.5 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | I136 L142 L143 D144 | I136-T140 PolarHBondContact O-N 3.01Å; I136-T140 PolarHBondContact O-OG1 3.49Å; I136-T140 VanDerWaalsContact O-OG1 3.05Å; T140-L142 PolarHBondContact O-N 3.23Å; T140-L143 PolarHBondContact O-N 3.42Å; T140-D144 VanDerWaalsContact O-CG 3.29Å; T140-D144 PolarHBondContact O-N 2.96Å |
| 141 | Y | 98 | Very high | 94.5 | Very high | 135 Ų | 135 | 68.8 Ų | 68.8 | 53% | 0.529 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 178 | 176.2 | -106.9 | 0 | 0 | 0 | 112.9 | A137 L138 Q139 D144 L145 | A137-Y141 WeakPolarHBondContact O-CB 3.35Å; A137-Y141 PolarHBondContact O-N 3.25Å; L138-Y141 WeakPolarHBondContact O-CB 3.38Å; L138-Y141 PolarHBondContact O-N 3.47Å; Q139-Y141 VanDerWaalsContact C-N 3.31Å; Q139-Y141 PolarHBondContact O-N 3.46Å; Y141-D144 PolarHBondContact O-N 3.32Å; Y141-L145 HydrophobicContact CD1-CD1 4.09Å; Y141-L145 HydrophobicContact CE1-CD1 3.46Å; Y141-L145 VanDerWaalsContact CE1-CD1 3.46Å; Y141-L145 HydrophobicContact CE1-CG 4.17Å; Y141-L145 HydrophobicContact CE2-CD1 4.41Å; Y141-L145 HydrophobicContact CE2-CD2 4.44Å; Y141-L145 HydrophobicContact CE2-CG 4.3Å; Y141-L145 WeakPolarHBondContact O-CG 3.48Å; Y141-L145 PolarHBondContact O-N 2.89Å |
| 142 | L | 97.3 | Very high | 95 | Very high | 58 Ų | 58 | 69.5 Ų | 69.5 | 30% | 0.304 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 178.6 | -69.3 | 173.2 | 0 | 0 | 0 | 111.9 | L138 Q139 T140 D144 L145 I146 T183 F187 | L138-L142 HydrophobicContact CD1-CD1 4.32Å; L138-L142 HydrophobicContact CD1-CG 4.28Å; L138-L142 HydrophobicContact CG-CD1 4.17Å; L138-L142 WeakPolarHBondContact O-CG 3.11Å; L138-L142 PolarHBondContact O-N 3.27Å; Q139-L142 PolarHBondContact O-N 2.92Å; T140-L142 PolarHBondContact O-N 3.23Å; L142-D144 VanDerWaalsContact C-N 3.32Å; L142-D144 PolarHBondContact O-N 3.09Å; L142-L145 PolarHBondContact O-N 3.3Å; L142-I146 WeakPolarHBondContact O-CG1 3.46Å; L142-I146 PolarHBondContact O-N 2.92Å; L142-T183 HydrophobicContact CB-CG2 4.14Å; L142-T183 HydrophobicContact CD1-CG2 4.44Å; L142-F187 HydrophobicContact CD1-CE2 3.79Å; L142-F187 HydrophobicContact CD1-CZ 3.95Å |
| 143 | L | 97.5 | Very high | 95.5 | Very high | 35 Ų | 35 | 70.1 Ų | 70.1 | 18% | 0.183 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.3 | -67.1 | 176.9 | 0 | 0 | 0 | 111.6 | Q139 T140 I146 N147 V180 T183 | Q139-L143 HydrophobicContact CG-CD1 4.12Å; Q139-L143 HydrophobicContact CG-CG 4.48Å; Q139-L143 VanDerWaalsContact O-CG 3.31Å; Q139-L143 WeakPolarHBondContact O-CG 3.33Å; Q139-L143 PolarHBondContact O-N 3.4Å; T140-L143 PolarHBondContact O-N 3.42Å; L143-I146 PolarHBondContact O-N 3.27Å; L143-N147 PolarHBondContact O-N 3.45Å; L143-N147 PolarHBondContact O-ND2 3.48Å; L143-V180 HydrophobicContact CD2-CB 4.26Å; L143-V180 HydrophobicContact CD2-CG1 3.88Å; L143-V180 HydrophobicContact CD2-CG2 4.06Å; L143-T183 HydrophobicContact CD2-CG2 4.23Å |
| 144 | D | 98.1 | Very high | 95.7 | Very high | 95 Ų | 95 | 68.9 Ų | 68.9 | 51% | 0.508 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.5 | -72.2 | -20.3 | 0 | 0 | 0 | 112 | T140 Y141 L142 N147 K148 | T140-D144 VanDerWaalsContact O-CG 3.29Å; T140-D144 PolarHBondContact O-N 2.96Å; Y141-D144 PolarHBondContact O-N 3.32Å; L142-D144 VanDerWaalsContact C-N 3.32Å; L142-D144 PolarHBondContact O-N 3.09Å; D144-N147 PolarHBondContact O-N 3.1Å; D144-K148 WeakPolarHBondContact O-CB 3.28Å; D144-K148 PolarHBondContact O-N 3.48Å |
| 145 | L | 98.4 | Very high | 95.8 | Very high | 72 Ų | 72 | 71 Ų | 71 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 174.5 | -73.9 | -179.2 | 0 | 0 | 0 | 112.2 | Y141 L142 K148 D149 | Y141-L145 HydrophobicContact CD1-CD1 4.09Å; Y141-L145 HydrophobicContact CE1-CD1 3.46Å; Y141-L145 VanDerWaalsContact CE1-CD1 3.46Å; Y141-L145 HydrophobicContact CE1-CG 4.17Å; Y141-L145 HydrophobicContact CE2-CD1 4.41Å; Y141-L145 HydrophobicContact CE2-CD2 4.44Å; Y141-L145 HydrophobicContact CE2-CG 4.3Å; Y141-L145 WeakPolarHBondContact O-CG 3.48Å; Y141-L145 PolarHBondContact O-N 2.89Å; L142-L145 PolarHBondContact O-N 3.3Å; L145-K148 PolarHBondContact O-N 2.9Å; L145-D149 WeakPolarHBondContact O-CB 3.36Å; L145-D149 PolarHBondContact O-N 3.17Å |
| 146 | I | 98 | Very high | 96 | Very high | 23 Ų | 23 | 76.8 Ų | 76.8 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 177.2 | -66.1 | 161.5 | 0 | 0 | 0 | 110.3 | L142 L143 D149 K150 A176 R179 V180 T183 | L142-I146 WeakPolarHBondContact O-CG1 3.46Å; L142-I146 PolarHBondContact O-N 2.92Å; L143-I146 PolarHBondContact O-N 3.27Å; I146-D149 PolarHBondContact O-N 2.88Å; I146-K150 WeakPolarHBondContact O-CB 3.26Å; I146-K150 PolarHBondContact O-N 3.19Å; I146-A176 HydrophobicContact CG2-CB 4.36Å; I146-R179 HydrophobicContact CD1-CB 4.09Å; I146-R179 HydrophobicContact CG1-CB 4.34Å; I146-R179 HydrophobicContact CG2-CB 4.01Å; I146-V180 HydrophobicContact CB-CG2 4.41Å; I146-V180 HydrophobicContact CD1-CG2 4.43Å; I146-V180 HydrophobicContact CG2-CG2 3.81Å; I146-T183 WeakPolarHBondContact CD1-OG1 3.44Å |
| 147 | N | 97.5 | Very high | 96 | Very high | 66 Ų | 66 | 75 Ų | 75 | 35% | 0.353 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.2 | -79.1 | -42.1 | 0 | 0 | 0 | 112.3 | L143 D144 K150 L151 | L143-N147 PolarHBondContact O-N 3.45Å; L143-N147 PolarHBondContact O-ND2 3.48Å; D144-N147 PolarHBondContact O-N 3.1Å; N147-K150 WeakPolarHBondContact O-CB 3.37Å; N147-K150 PolarHBondContact O-N 2.84Å; N147-L151 WeakPolarHBondContact O-CG 3.49Å; N147-L151 PolarHBondContact O-N 2.88Å |
| 148 | K | 98 | Very high | 95.4 | Very high | 124 Ų | 124 | 80.8 Ų | 80.8 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 175.9 | -176.1 | -179 | 175.6 | -176 | 0 | 111.5 | D144 L145 K150 L151 D152 | D144-K148 WeakPolarHBondContact O-CB 3.28Å; D144-K148 PolarHBondContact O-N 3.48Å; L145-K148 PolarHBondContact O-N 2.9Å; K148-K150 VanDerWaalsContact C-N 3.32Å; K148-K150 PolarHBondContact O-N 3.39Å; K148-L151 PolarHBondContact O-N 3.47Å; K148-D152 WeakPolarHBondContact O-CB 3.4Å; K148-D152 PolarHBondContact O-N 3.47Å |
| 149 | D | 98.1 | Very high | 94.7 | Very high | 62 Ų | 62 | 86.1 Ų | 86.1 | 33% | 0.332 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 176.4 | 179.4 | 51.9 | 0 | 0 | 0 | 111.4 | L145 I146 L151 D152 Q153 R179 | L145-D149 WeakPolarHBondContact O-CB 3.36Å; L145-D149 PolarHBondContact O-N 3.17Å; I146-D149 PolarHBondContact O-N 2.88Å; D149-L151 PolarHBondContact O-N 2.96Å; D149-D152 PolarHBondContact O-N 3.38Å; D149-Q153 WeakPolarHBondContact O-CG 3.28Å; D149-Q153 PolarHBondContact O-N 3.46Å; D149-Q153 PolarHBondContact OD1-NE2 3.17Å; D149-Q153 PolarHBondContact OD2-NE2 2.93Å; D149-R179 IonicContact OD2-CZ 3.88Å; D149-R179 IonicContact OD2-NH1 2.68Å; D149-R179 PolarHBondContact OD2-NH1 3.15Å |
| 150 | K | 97.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 87.1 Ų | 87.1 | 24% | 0.235 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -55.8 | -51.2 | 173.3 | -174.5 | -172.1 | 68.8 | 176.5 | 0 | 111.8 | I146 N147 K148 D152 Q153 L154 I172 A176 | I146-K150 WeakPolarHBondContact O-CB 3.26Å; I146-K150 PolarHBondContact O-N 3.19Å; N147-K150 WeakPolarHBondContact O-CB 3.37Å; N147-K150 PolarHBondContact O-N 2.84Å; K148-K150 VanDerWaalsContact C-N 3.32Å; K148-K150 PolarHBondContact O-N 3.39Å; K150-D152 VanDerWaalsContact C-N 3.32Å; K150-D152 PolarHBondContact O-N 3.37Å; K150-Q153 PolarHBondContact O-N 3.03Å; K150-L154 HydrophobicContact CG-CD1 4.24Å; K150-L154 WeakPolarHBondContact O-CG 3.44Å; K150-L154 PolarHBondContact O-N 3.37Å; K150-I172 HydrophobicContact CG-CG2 3.93Å; K150-A176 HydrophobicContact CB-CB 3.86Å; K150-A176 HydrophobicContact CD-CB 3.6Å; K150-A176 HydrophobicContact CG-CB 3.77Å |
| 151 | L | 96.8 | Very high | 93.4 | Very high | 92 Ų | 92 | 89.4 Ų | 89.4 | 48% | 0.482 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | -179.2 | -70.8 | 173.7 | 0 | 0 | 0 | 112.4 | N147 K148 D149 L154 K155 | N147-L151 WeakPolarHBondContact O-CG 3.49Å; N147-L151 PolarHBondContact O-N 2.88Å; K148-L151 PolarHBondContact O-N 3.47Å; D149-L151 PolarHBondContact O-N 2.96Å; L151-L154 PolarHBondContact O-N 3.25Å; L151-K155 VanDerWaalsContact O-CG 3.28Å; L151-K155 WeakPolarHBondContact O-CG 3.05Å; L151-K155 PolarHBondContact O-N 3.48Å |
| 152 | D | 97.1 | Very high | 92.8 | Very high | 57 Ų | 57 | 90.4 Ų | 90.4 | 31% | 0.305 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.9 | -36.3 | 178.9 | -71.1 | -19.8 | 0 | 0 | 0 | 111.3 | K148 D149 K150 K155 Q156 | K148-D152 WeakPolarHBondContact O-CB 3.4Å; K148-D152 PolarHBondContact O-N 3.47Å; D149-D152 PolarHBondContact O-N 3.38Å; K150-D152 VanDerWaalsContact C-N 3.32Å; K150-D152 PolarHBondContact O-N 3.37Å; D152-K155 PolarHBondContact O-N 3.03Å; D152-K155 IonicContact OD1-NZ 2.77Å; D152-Q156 VanDerWaalsContact O-CG 3.29Å; D152-Q156 WeakPolarHBondContact O-CG 3.29Å; D152-Q156 PolarHBondContact O-N 3.36Å |
| 153 | Q | 95.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 91.2 Ų | 91.2 | 23% | 0.234 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.3 | -46 | 171 | -72.4 | 175.9 | 44 | 0 | 0 | 111.8 | D149 K150 K155 Q156 L157 I172 | D149-Q153 WeakPolarHBondContact O-CG 3.28Å; D149-Q153 PolarHBondContact O-N 3.46Å; D149-Q153 PolarHBondContact OD1-NE2 3.17Å; D149-Q153 PolarHBondContact OD2-NE2 2.93Å; K150-Q153 PolarHBondContact O-N 3.03Å; Q153-K155 VanDerWaalsContact C-N 3.28Å; Q153-K155 PolarHBondContact O-N 3.38Å; Q153-Q156 PolarHBondContact O-N 3.49Å; Q153-L157 PolarHBondContact O-N 2.87Å; Q153-I172 HydrophobicContact CB-CD1 4.08Å; Q153-I172 HydrophobicContact CB-CG1 4.42Å; Q153-I172 HydrophobicContact CB-CG2 4.04Å |
| 154 | L | 94.4 | Very high | 91.9 | Very high | 47 Ų | 47 | 91.8 Ų | 91.8 | 25% | 0.246 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.1 | -35.4 | 177.4 | -69.6 | 173.8 | 0 | 0 | 0 | 112.5 | K150 L151 Q156 L157 I169 I172 | K150-L154 HydrophobicContact CG-CD1 4.24Å; K150-L154 WeakPolarHBondContact O-CG 3.44Å; K150-L154 PolarHBondContact O-N 3.37Å; L151-L154 PolarHBondContact O-N 3.25Å; L154-Q156 VanDerWaalsContact C-N 3.32Å; L154-Q156 PolarHBondContact O-N 3.42Å; L154-L157 HydrophobicContact CD2-CD1 4Å; L154-L157 WeakPolarHBondContact O-CB 3.46Å; L154-L157 PolarHBondContact O-N 3.33Å; L154-I169 HydrophobicContact CD2-CB 4.29Å; L154-I169 HydrophobicContact CD2-CG1 4.03Å; L154-I169 HydrophobicContact CD2-CG2 4.01Å; L154-I172 HydrophobicContact CD2-CB 4.31Å; L154-I172 HydrophobicContact CD2-CD1 4.19Å; L154-I172 HydrophobicContact CD2-CG2 4.08Å; L154-I172 HydrophobicContact CG-CG2 4.11Å |
| 155 | K | 92.9 | Very high | 91.6 | Very high | 157 Ų | 157 | 89.6 Ų | 89.6 | 68% | 0.683 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.3 | -25.3 | 175.1 | -73.9 | 170.7 | -171.1 | 166.9 | 0 | 114 | L151 D152 Q153 L157 | L151-K155 VanDerWaalsContact O-CG 3.28Å; L151-K155 WeakPolarHBondContact O-CG 3.05Å; L151-K155 PolarHBondContact O-N 3.48Å; D152-K155 PolarHBondContact O-N 3.03Å; D152-K155 IonicContact OD1-NZ 2.77Å; Q153-K155 VanDerWaalsContact C-N 3.28Å; Q153-K155 PolarHBondContact O-N 3.38Å; K155-L157 VanDerWaalsContact C-N 3.34Å |
| 156 | Q | 92.1 | Very high | 91.2 | Very high | 154 Ų | 154 | 91.6 Ų | 91.6 | 72% | 0.72 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -83.2 | -13.8 | -179.9 | -73.2 | 174.2 | 25.4 | 0 | 0 | 112.8 | D152 Q153 L154 K158 | D152-Q156 VanDerWaalsContact O-CG 3.29Å; D152-Q156 WeakPolarHBondContact O-CG 3.29Å; D152-Q156 PolarHBondContact O-N 3.36Å; Q153-Q156 PolarHBondContact O-N 3.49Å; L154-Q156 VanDerWaalsContact C-N 3.32Å; L154-Q156 PolarHBondContact O-N 3.42Å; Q156-K158 PolarHBondContact O-N 2.99Å |
| 157 | L | 90 | Very high | 91 | Very high | 40 Ų | 40 | 96.2 Ų | 96.2 | 21% | 0.209 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -60 | 125.6 | 172.2 | -63.5 | 178.7 | 0 | 0 | 0 | 109.4 | Q153 L154 K155 L165 E168 I169 I172 | Q153-L157 PolarHBondContact O-N 2.87Å; L154-L157 HydrophobicContact CD2-CD1 4Å; L154-L157 WeakPolarHBondContact O-CB 3.46Å; L154-L157 PolarHBondContact O-N 3.33Å; K155-L157 VanDerWaalsContact C-N 3.34Å; L157-L165 HydrophobicContact CB-CD1 3.99Å; L157-L165 HydrophobicContact CD1-CD1 4.15Å; L157-E168 HydrophobicContact CD2-CB 4.22Å; L157-E168 VanDerWaalsContact CD2-OE2 3.28Å; L157-E168 WeakPolarHBondContact CD2-OE2 3.19Å; L157-I169 HydrophobicContact CD1-CD1 4.45Å; L157-I169 HydrophobicContact CD1-CG1 3.53Å; L157-I172 HydrophobicContact CD1-CD1 3.99Å; L157-I172 HydrophobicContact CD2-CD1 3.97Å; L157-I172 HydrophobicContact CG-CD1 4.17Å |
| 158 | K | 81.6 | Confident | 90.7 | Very high | 183 Ų | 183 | 98 Ų | 98 | 80% | 0.796 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 154.4 | 175.1 | -66.8 | -179.9 | -179.3 | 176.2 | 0 | 109.3 | Q156 G160 | Q156-K158 PolarHBondContact O-N 2.99Å; K158-G160 PolarHBondContact O-N 3Å |
| 159 | E | 80.7 | Confident | 90.6 | Very high | 202 Ų | 202 | 94.5 Ų | 94.5 | 94% | 0.944 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -57.2 | 132.3 | 169.8 | -65.8 | 176.6 | 174.4 | 0 | 0 | 110.1 | ||
| 160 | G | 77.2 | Confident | 90.4 | Very high | 53 Ų | 53 | 96 Ų | 96 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | trans | -160 | -170.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K158 E162 | K158-G160 PolarHBondContact O-N 3Å; G160-E162 PolarHBondContact O-N 3.1Å | ||
| 161 | D | 84.3 | Confident | 90.3 | Very high | 119 Ų | 119 | 95.6 Ų | 95.6 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | trans | -59.8 | 129 | 177.3 | -170.5 | 17.5 | 0 | 0 | 0 | 110.9 | P163 A164 L165 | D161-P163 WeakPolarHBondContact OD1-CD 3.43Å; D161-A164 HydrophobicContact CB-CB 4.46Å; D161-A164 PolarHBondContact O-N 3.11Å; D161-L165 PolarHBondContact O-N 3.02Å | ||
| 162 | E | 85.3 | Confident | 90.3 | Very high | 155 Ų | 155 | 92 Ų | 92 | 72% | 0.724 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -54.9 | -44.7 | -170.6 | -73.5 | -177.9 | 174.4 | 0 | 0 | 113.5 | G160 L165 L166 | G160-E162 PolarHBondContact O-N 3.1Å; E162-L165 PolarHBondContact O-N 3.13Å; E162-L166 WeakPolarHBondContact O-CG 3.13Å; E162-L166 PolarHBondContact O-N 2.86Å |
| 163 | P | 89.1 | Confident | 90.3 | Very high | 75 Ų | 75 | 93.1 Ų | 93.1 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 179.2 | -21 | 34.4 | 0 | 0 | 0 | 112.7 | D161 L165 L166 D167 | D161-P163 WeakPolarHBondContact OD1-CD 3.43Å; P163-L165 VanDerWaalsContact C-N 3.32Å; P163-L165 PolarHBondContact O-N 3.24Å; P163-L166 PolarHBondContact O-N 3.47Å; P163-D167 PolarHBondContact O-N 3.5Å; P163-D167 VanDerWaalsContact O-N 3.08Å |
| 164 | A | 88 | Confident | 90.4 | Very high | 47 Ų | 47 | 94.5 Ų | 94.5 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | D161 D167 E168 | D161-A164 HydrophobicContact CB-CB 4.46Å; D161-A164 PolarHBondContact O-N 3.11Å; A164-D167 PolarHBondContact O-N 3.31Å; A164-E168 WeakPolarHBondContact O-CG 3.27Å; A164-E168 PolarHBondContact O-N 2.82Å |
| 165 | L | 90.2 | Very high | 90.5 | Very high | 49 Ų | 49 | 97.1 Ų | 97.1 | 26% | 0.257 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 176 | -174.5 | 68.5 | 0 | 0 | 0 | 112 | L157 D161 E162 P163 E168 I169 | L157-L165 HydrophobicContact CB-CD1 3.99Å; L157-L165 HydrophobicContact CD1-CD1 4.15Å; D161-L165 PolarHBondContact O-N 3.02Å; E162-L165 PolarHBondContact O-N 3.13Å; P163-L165 VanDerWaalsContact C-N 3.32Å; P163-L165 PolarHBondContact O-N 3.24Å; L165-E168 PolarHBondContact O-N 3.44Å; L165-I169 HydrophobicContact CG-CD1 4.09Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.37Å; L165-I169 PolarHBondContact O-N 3.31Å |
| 166 | L | 91.7 | Very high | 90.7 | Very high | 115 Ų | 115 | 89.9 Ų | 89.9 | 60% | 0.602 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.7 | -42 | 176.7 | -74 | 171.1 | 0 | 0 | 0 | 112 | E162 P163 E168 I169 Q170 | E162-L166 WeakPolarHBondContact O-CG 3.13Å; E162-L166 PolarHBondContact O-N 2.86Å; P163-L166 PolarHBondContact O-N 3.47Å; L166-E168 VanDerWaalsContact C-N 3.35Å; L166-I169 PolarHBondContact O-N 3.27Å; L166-Q170 WeakPolarHBondContact O-CB 3.48Å; L166-Q170 PolarHBondContact O-N 3.32Å |
| 167 | D | 92.6 | Very high | 91 | Very high | 119 Ų | 119 | 89 Ų | 89 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 176.1 | -74.1 | -16.1 | 0 | 0 | 0 | 111.7 | P163 A164 S171 | P163-D167 PolarHBondContact O-N 3.5Å; P163-D167 VanDerWaalsContact O-N 3.08Å; A164-D167 PolarHBondContact O-N 3.31Å; D167-S171 VanDerWaalsContact O-CB 3.3Å; D167-S171 WeakPolarHBondContact O-CB 3.47Å; D167-S171 PolarHBondContact O-N 3.34Å |
| 168 | E | 92.2 | Very high | 91.4 | Very high | 105 Ų | 105 | 93 Ų | 93 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 175.2 | -76 | -176.8 | -171.2 | 0 | 0 | 112.2 | L157 A164 L165 L166 S171 I172 | L157-E168 HydrophobicContact CD2-CB 4.22Å; L157-E168 VanDerWaalsContact CD2-OE2 3.28Å; L157-E168 WeakPolarHBondContact CD2-OE2 3.19Å; A164-E168 WeakPolarHBondContact O-CG 3.27Å; A164-E168 PolarHBondContact O-N 2.82Å; L165-E168 PolarHBondContact O-N 3.44Å; L166-E168 VanDerWaalsContact C-N 3.35Å; E168-S171 PolarHBondContact O-N 2.92Å; E168-I172 WeakPolarHBondContact O-CG1 3.49Å; E168-I172 PolarHBondContact O-N 3.46Å |
| 169 | I | 94.5 | Very high | 92.2 | Very high | 49 Ų | 49 | 89.3 Ų | 89.3 | 25% | 0.251 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.3 | -50.7 | 175.3 | -70.1 | 166.6 | 0 | 0 | 0 | 110.2 | L154 L157 L165 L166 S171 I172 E173 | L154-I169 HydrophobicContact CD2-CB 4.29Å; L154-I169 HydrophobicContact CD2-CG1 4.03Å; L154-I169 HydrophobicContact CD2-CG2 4.01Å; L157-I169 HydrophobicContact CD1-CD1 4.45Å; L157-I169 HydrophobicContact CD1-CG1 3.53Å; L165-I169 HydrophobicContact CG-CD1 4.09Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.37Å; L165-I169 PolarHBondContact O-N 3.31Å; L166-I169 PolarHBondContact O-N 3.27Å; I169-S171 VanDerWaalsContact C-N 3.32Å; I169-S171 PolarHBondContact O-N 2.84Å; I169-I172 PolarHBondContact O-N 3.26Å; I169-I172 VanDerWaalsContact O-N 3.13Å; I169-E173 HydrophobicContact CG2-CG 4.43Å; I169-E173 WeakPolarHBondContact O-CG 3.48Å; I169-E173 PolarHBondContact O-N 2.99Å |
| 170 | Q | 95.2 | Very high | 93 | Very high | 94 Ų | 94 | 81.5 Ų | 81.5 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | -179.9 | -172.7 | 63.1 | 50.3 | 0 | 0 | 111.2 | L166 I172 E173 D174 | L166-Q170 WeakPolarHBondContact O-CB 3.48Å; L166-Q170 PolarHBondContact O-N 3.32Å; Q170-I172 VanDerWaalsContact C-N 3.32Å; Q170-I172 PolarHBondContact O-N 2.97Å; Q170-E173 PolarHBondContact O-N 3.37Å; Q170-D174 PolarHBondContact NE2-OD1 2.9Å; Q170-D174 WeakPolarHBondContact O-CB 3.3Å; Q170-D174 PolarHBondContact O-N 3.15Å |
| 171 | S | 95.4 | Very high | 93.9 | Very high | 46 Ų | 46 | 81.1 Ų | 81.1 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 176.2 | 155.6 | 0 | 0 | 0 | 0 | 112.8 | D167 E168 I169 K175 | D167-S171 VanDerWaalsContact O-CB 3.3Å; D167-S171 WeakPolarHBondContact O-CB 3.47Å; D167-S171 PolarHBondContact O-N 3.34Å; E168-S171 PolarHBondContact O-N 2.92Å; I169-S171 VanDerWaalsContact C-N 3.32Å; I169-S171 PolarHBondContact O-N 2.84Å; S171-K175 WeakPolarHBondContact O-CB 3.32Å; S171-K175 WeakPolarHBondContact O-CD 3.24Å; S171-K175 WeakPolarHBondContact O-CG 3.3Å; S171-K175 PolarHBondContact O-N 3.47Å; S171-K175 PolarHBondContact OG-NZ 2.95Å |
| 172 | I | 96.6 | Very high | 94.5 | Very high | 17 Ų | 17 | 80.4 Ų | 80.4 | 9% | 0.087 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68 | -43.8 | 174.8 | -70 | 163.3 | 0 | 0 | 0 | 110.6 | K150 Q153 L154 L157 E168 I169 Q170 A176 | K150-I172 HydrophobicContact CG-CG2 3.93Å; Q153-I172 HydrophobicContact CB-CD1 4.08Å; Q153-I172 HydrophobicContact CB-CG1 4.42Å; Q153-I172 HydrophobicContact CB-CG2 4.04Å; L154-I172 HydrophobicContact CD2-CB 4.31Å; L154-I172 HydrophobicContact CD2-CD1 4.19Å; L154-I172 HydrophobicContact CD2-CG2 4.08Å; L154-I172 HydrophobicContact CG-CG2 4.11Å; L157-I172 HydrophobicContact CD1-CD1 3.99Å; L157-I172 HydrophobicContact CD2-CD1 3.97Å; L157-I172 HydrophobicContact CG-CD1 4.17Å; E168-I172 WeakPolarHBondContact O-CG1 3.49Å; E168-I172 PolarHBondContact O-N 3.46Å; I169-I172 PolarHBondContact O-N 3.26Å; I169-I172 VanDerWaalsContact O-N 3.13Å; Q170-I172 VanDerWaalsContact C-N 3.32Å; Q170-I172 PolarHBondContact O-N 2.97Å; I172-A176 WeakPolarHBondContact O-CB 3.46Å; I172-A176 PolarHBondContact O-N 3.46Å |
| 173 | E | 96.5 | Very high | 95 | Very high | 79 Ų | 79 | 74.1 Ų | 74.1 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.8 | -71.1 | -171.6 | 156 | 0 | 0 | 112.2 | I169 Q170 K175 A176 Q177 | I169-E173 HydrophobicContact CG2-CG 4.43Å; I169-E173 WeakPolarHBondContact O-CG 3.48Å; I169-E173 PolarHBondContact O-N 2.99Å; Q170-E173 PolarHBondContact O-N 3.37Å; E173-K175 PolarHBondContact O-N 3.45Å; E173-A176 PolarHBondContact O-N 3.5Å; E173-Q177 WeakPolarHBondContact O-CB 3.35Å; E173-Q177 PolarHBondContact O-N 2.81Å |
| 174 | D | 97.7 | Very high | 95.2 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 179.1 | -70.5 | -18.1 | 0 | 0 | 0 | 111.2 | Q170 A176 Q177 E178 | Q170-D174 PolarHBondContact NE2-OD1 2.9Å; Q170-D174 WeakPolarHBondContact O-CB 3.3Å; Q170-D174 PolarHBondContact O-N 3.15Å; D174-A176 VanDerWaalsContact C-N 3.35Å; D174-A176 PolarHBondContact O-N 3.33Å; D174-Q177 PolarHBondContact O-N 3.33Å; D174-E178 WeakPolarHBondContact O-CB 3.41Å; D174-E178 PolarHBondContact O-N 3.07Å |
| 175 | K | 97.5 | Very high | 95.4 | Very high | 102 Ų | 102 | 74.3 Ų | 74.3 | 44% | 0.443 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 176.8 | -73 | 172.1 | -169.4 | 171.8 | 0 | 112.2 | S171 E173 R179 | S171-K175 WeakPolarHBondContact O-CB 3.32Å; S171-K175 WeakPolarHBondContact O-CD 3.24Å; S171-K175 WeakPolarHBondContact O-CG 3.3Å; S171-K175 PolarHBondContact O-N 3.47Å; S171-K175 PolarHBondContact OG-NZ 2.95Å; E173-K175 PolarHBondContact O-N 3.45Å; K175-R179 WeakPolarHBondContact O-CD 3.12Å; K175-R179 VanDerWaalsContact O-CG 3.23Å; K175-R179 WeakPolarHBondContact O-CG 3.31Å; K175-R179 PolarHBondContact O-N 2.99Å |
| 176 | A | 97.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 77 Ų | 77 | 5% | 0.05 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | I146 K150 I172 E173 D174 R179 V180 | I146-A176 HydrophobicContact CG2-CB 4.36Å; K150-A176 HydrophobicContact CB-CB 3.86Å; K150-A176 HydrophobicContact CD-CB 3.6Å; K150-A176 HydrophobicContact CG-CB 3.77Å; I172-A176 WeakPolarHBondContact O-CB 3.46Å; I172-A176 PolarHBondContact O-N 3.46Å; E173-A176 PolarHBondContact O-N 3.5Å; D174-A176 VanDerWaalsContact C-N 3.35Å; D174-A176 PolarHBondContact O-N 3.33Å; A176-R179 PolarHBondContact O-N 2.97Å; A176-V180 WeakPolarHBondContact O-CG2 3.3Å; A176-V180 PolarHBondContact O-N 3.29Å |
| 177 | Q | 97.7 | Very high | 95.3 | Very high | 136 Ų | 136 | 72.4 Ų | 72.4 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 176.4 | -175 | 173.8 | -6.3 | 0 | 0 | 111.9 | E173 D174 R179 V180 A181 | E173-Q177 WeakPolarHBondContact O-CB 3.35Å; E173-Q177 PolarHBondContact O-N 2.81Å; D174-Q177 PolarHBondContact O-N 3.33Å; Q177-R179 PolarHBondContact O-N 2.95Å; Q177-V180 PolarHBondContact O-N 2.81Å; Q177-A181 WeakPolarHBondContact O-CB 3.38Å; Q177-A181 PolarHBondContact O-N 2.79Å |
| 178 | E | 97.9 | Very high | 94.9 | Very high | 122 Ų | 122 | 70.7 Ų | 70.7 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.1 | -46.4 | 173.8 | -174.4 | -175.5 | -175.9 | 0 | 0 | 111.1 | D174 V180 A181 L182 | D174-E178 WeakPolarHBondContact O-CB 3.41Å; D174-E178 PolarHBondContact O-N 3.07Å; E178-V180 PolarHBondContact O-N 2.81Å; E178-A181 PolarHBondContact O-N 3.42Å; E178-L182 HydrophobicContact CG-CD1 4.16Å; E178-L182 HydrophobicContact CG-CG 4.48Å; E178-L182 WeakPolarHBondContact O-CB 3.47Å; E178-L182 WeakPolarHBondContact O-CG 3.47Å; E178-L182 PolarHBondContact O-N 3.32Å |
| 179 | R | 98.1 | Very high | 94.4 | Very high | 107 Ų | 107 | 72.2 Ų | 72.2 | 40% | 0.404 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.9 | -70.9 | 166.7 | -177.4 | -179.9 | -1.7 | 112.6 | I146 D149 K175 A176 Q177 T183 | I146-R179 HydrophobicContact CD1-CB 4.09Å; I146-R179 HydrophobicContact CG1-CB 4.34Å; I146-R179 HydrophobicContact CG2-CB 4.01Å; D149-R179 IonicContact OD2-CZ 3.88Å; D149-R179 IonicContact OD2-NH1 2.68Å; D149-R179 PolarHBondContact OD2-NH1 3.15Å; K175-R179 WeakPolarHBondContact O-CD 3.12Å; K175-R179 VanDerWaalsContact O-CG 3.23Å; K175-R179 WeakPolarHBondContact O-CG 3.31Å; K175-R179 PolarHBondContact O-N 2.99Å; A176-R179 PolarHBondContact O-N 2.97Å; Q177-R179 PolarHBondContact O-N 2.95Å; R179-T183 VanDerWaalsContact O-CB 3.31Å; R179-T183 WeakPolarHBondContact O-CB 3.4Å; R179-T183 PolarHBondContact O-N 2.82Å; R179-T183 PolarHBondContact O-OG1 2.86Å |
| 180 | V | 97.8 | Very high | 93.3 | Very high | 37 Ų | 37 | 72.1 Ų | 72.1 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 174.1 | 165.9 | 0 | 0 | 0 | 0 | 110.4 | L143 I146 A176 Q177 E178 T183 N184 | L143-V180 HydrophobicContact CD2-CB 4.26Å; L143-V180 HydrophobicContact CD2-CG1 3.88Å; L143-V180 HydrophobicContact CD2-CG2 4.06Å; I146-V180 HydrophobicContact CB-CG2 4.41Å; I146-V180 HydrophobicContact CD1-CG2 4.43Å; I146-V180 HydrophobicContact CG2-CG2 3.81Å; A176-V180 WeakPolarHBondContact O-CG2 3.3Å; A176-V180 PolarHBondContact O-N 3.29Å; Q177-V180 PolarHBondContact O-N 2.81Å; E178-V180 PolarHBondContact O-N 2.81Å; V180-T183 PolarHBondContact O-N 2.82Å; V180-N184 WeakPolarHBondContact O-CB 3.35Å; V180-N184 PolarHBondContact O-N 3.22Å; V180-N184 PolarHBondContact O-ND2 3.46Å |
| 181 | A | 97 | Very high | 92 | Very high | 45 Ų | 45 | 70 Ų | 70 | 37% | 0.372 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -51 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q177 E178 T183 N184 D185 | Q177-A181 WeakPolarHBondContact O-CB 3.38Å; Q177-A181 PolarHBondContact O-N 2.79Å; E178-A181 PolarHBondContact O-N 3.42Å; A181-T183 VanDerWaalsContact C-N 3.3Å; A181-T183 PolarHBondContact O-N 3.36Å; A181-N184 PolarHBondContact O-N 2.93Å; A181-D185 WeakPolarHBondContact O-CB 3.27Å; A181-D185 VanDerWaalsContact O-CG 3.27Å; A181-D185 PolarHBondContact O-N 3.19Å |
| 182 | L | 96.7 | Very high | 90.5 | Very high | 104 Ų | 104 | 73.2 Ų | 73.2 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 177.1 | -70.4 | 174.2 | 0 | 0 | 0 | 112.7 | E178 D185 L186 | E178-L182 HydrophobicContact CG-CD1 4.16Å; E178-L182 HydrophobicContact CG-CG 4.48Å; E178-L182 WeakPolarHBondContact O-CB 3.47Å; E178-L182 WeakPolarHBondContact O-CG 3.47Å; E178-L182 PolarHBondContact O-N 3.32Å; L182-D185 PolarHBondContact O-N 2.9Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 PolarHBondContact O-N 3.35Å |
| 183 | T | 95.3 | Very high | 88.9 | Confident | 23 Ų | 23 | 80.9 Ų | 80.9 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.6 | -48.6 | 177 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | L142 L143 I146 R179 V180 A181 D185 L186 F187 | L142-T183 HydrophobicContact CB-CG2 4.14Å; L142-T183 HydrophobicContact CD1-CG2 4.44Å; L143-T183 HydrophobicContact CD2-CG2 4.23Å; I146-T183 WeakPolarHBondContact CD1-OG1 3.44Å; R179-T183 VanDerWaalsContact O-CB 3.31Å; R179-T183 WeakPolarHBondContact O-CB 3.4Å; R179-T183 PolarHBondContact O-N 2.82Å; R179-T183 PolarHBondContact O-OG1 2.86Å; V180-T183 PolarHBondContact O-N 2.82Å; A181-T183 VanDerWaalsContact C-N 3.3Å; A181-T183 PolarHBondContact O-N 3.36Å; T183-D185 VanDerWaalsContact C-N 3.32Å; T183-D185 PolarHBondContact O-N 3.04Å; T183-L186 WeakPolarHBondContact O-CB 3.4Å; T183-L186 PolarHBondContact O-N 3.02Å; T183-F187 HydrophobicContact CG2-CD2 4.03Å; T183-F187 HydrophobicContact CG2-CE2 3.93Å; T183-F187 VanDerWaalsContact O-CD2 3.25Å; T183-F187 WeakPolarHBondContact O-CD2 3.24Å; T183-F187 PolarHBondContact O-N 3.27Å; T183-F187 VanDerWaalsContact O-N 3.1Å |
| 184 | N | 93.2 | Very high | 87.2 | Confident | 46 Ų | 46 | 79.5 Ų | 79.5 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 176.9 | -73 | -28.3 | 0 | 0 | 0 | 111.8 | Q139 V180 A181 L186 F187 N188 | Q139-N184 PolarHBondContact NE2-OD1 2.85Å; V180-N184 WeakPolarHBondContact O-CB 3.35Å; V180-N184 PolarHBondContact O-N 3.22Å; V180-N184 PolarHBondContact O-ND2 3.46Å; A181-N184 PolarHBondContact O-N 2.93Å; N184-L186 PolarHBondContact O-N 3.28Å; N184-F187 PolarHBondContact O-N 3.32Å; N184-N188 WeakPolarHBondContact O-CB 3.13Å; N184-N188 PolarHBondContact O-N 3.07Å; N184-N188 PolarHBondContact O-ND2 3.49Å |
| 185 | D | 91.9 | Very high | 85.7 | Confident | 81 Ų | 81 | 82.9 Ų | 82.9 | 43% | 0.433 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.9 | -72.3 | -15.6 | 0 | 0 | 0 | 112 | A181 L182 T183 F187 N188 Q189 | A181-D185 WeakPolarHBondContact O-CB 3.27Å; A181-D185 VanDerWaalsContact O-CG 3.27Å; A181-D185 PolarHBondContact O-N 3.19Å; L182-D185 PolarHBondContact O-N 2.9Å; T183-D185 VanDerWaalsContact C-N 3.32Å; T183-D185 PolarHBondContact O-N 3.04Å; D185-F187 PolarHBondContact O-N 3.34Å; D185-N188 PolarHBondContact O-N 3.3Å; D185-Q189 VanDerWaalsContact O-CG 3.31Å; D185-Q189 WeakPolarHBondContact O-CG 3.46Å; D185-Q189 PolarHBondContact O-N 2.87Å |
| 186 | L | 91.1 | Very high | 84.2 | Confident | 106 Ų | 106 | 86.4 Ų | 86.4 | 56% | 0.555 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.4 | -46.5 | 173.8 | 179.7 | 67.1 | 0 | 0 | 0 | 111.3 | L182 T183 N184 V190 | L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 PolarHBondContact O-N 3.35Å; T183-L186 WeakPolarHBondContact O-CB 3.4Å; T183-L186 PolarHBondContact O-N 3.02Å; N184-L186 PolarHBondContact O-N 3.28Å; L186-V190 WeakPolarHBondContact O-CG2 3.33Å; L186-V190 PolarHBondContact O-N 3.12Å |
| 187 | F | 89.2 | Confident | 83.3 | Confident | 18 Ų | 18 | 89 Ų | 89 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.9 | -36.2 | 176.5 | -77.6 | -80.4 | 0 | 0 | 0 | 112.2 | L138 Q139 L142 T183 N184 D185 Q189 V190 D191 | L138-F187 HydrophobicContact CB-CZ 4.44Å; L138-F187 HydrophobicContact CD2-CE1 4.44Å; L138-F187 HydrophobicContact CD2-CZ 4.11Å; L138-F187 HydrophobicContact CG-CZ 4.03Å; Q139-F187 HydrophobicContact CB-CD1 4.12Å; Q139-F187 HydrophobicContact CB-CD2 3.86Å; Q139-F187 HydrophobicContact CB-CE1 4.06Å; Q139-F187 HydrophobicContact CB-CE2 3.82Å; Q139-F187 HydrophobicContact CB-CG 4.04Å; Q139-F187 HydrophobicContact CB-CZ 3.93Å; Q139-F187 HydrophobicContact CG-CD2 3.69Å; Q139-F187 HydrophobicContact CG-CE2 4.04Å; Q139-F187 HydrophobicContact CG-CG 4.02Å; L142-F187 HydrophobicContact CD1-CE2 3.79Å; L142-F187 HydrophobicContact CD1-CZ 3.95Å; T183-F187 HydrophobicContact CG2-CD2 4.03Å; T183-F187 HydrophobicContact CG2-CE2 3.93Å; T183-F187 VanDerWaalsContact O-CD2 3.25Å; T183-F187 WeakPolarHBondContact O-CD2 3.24Å; T183-F187 PolarHBondContact O-N 3.27Å; T183-F187 VanDerWaalsContact O-N 3.1Å; N184-F187 PolarHBondContact O-N 3.32Å; D185-F187 PolarHBondContact O-N 3.34Å; F187-Q189 VanDerWaalsContact C-N 3.34Å; F187-Q189 PolarHBondContact O-N 3.12Å; F187-V190 CarbonylContact O-C 3.46Å; F187-V190 WeakPolarHBondContact O-CA 3.22Å; F187-V190 WeakPolarHBondContact O-CB 3.36Å; F187-V190 PolarHBondContact O-N 3.46Å; F187-D191 PolarHBondContact O-N 2.95Å |
| 188 | N | 84.8 | Confident | 82.5 | Confident | 83 Ų | 83 | 86.1 Ų | 86.1 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 175.9 | -72.8 | -25 | 0 | 0 | 0 | 112.5 | N184 D185 V190 D191 D192 | N184-N188 WeakPolarHBondContact O-CB 3.13Å; N184-N188 PolarHBondContact O-N 3.07Å; N184-N188 PolarHBondContact O-ND2 3.49Å; D185-N188 PolarHBondContact O-N 3.3Å; N188-V190 PolarHBondContact O-N 2.87Å; N188-D191 WeakPolarHBondContact O-CA 3.48Å; N188-D191 VanDerWaalsContact O-CB 3.31Å; N188-D191 WeakPolarHBondContact O-CB 3.47Å; N188-D191 PolarHBondContact O-N 3.17Å; N188-D192 PolarHBondContact O-N 3.35Å |
| 189 | Q | 81.7 | Confident | 82 | Confident | 137 Ų | 137 | 80.7 Ų | 80.7 | 64% | 0.64 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.3 | -30.2 | 172.8 | -71.6 | 173.6 | 26.3 | 0 | 0 | 111.9 | D185 F187 | D185-Q189 VanDerWaalsContact O-CG 3.31Å; D185-Q189 WeakPolarHBondContact O-CG 3.46Å; D185-Q189 PolarHBondContact O-N 2.87Å; F187-Q189 VanDerWaalsContact C-N 3.34Å; F187-Q189 PolarHBondContact O-N 3.12Å |
| 190 | V | 71.6 | Confident | 81.7 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -73.9 | -30.5 | 169.5 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | L186 F187 N188 D192 R193 R194 | L186-V190 WeakPolarHBondContact O-CG2 3.33Å; L186-V190 PolarHBondContact O-N 3.12Å; F187-V190 CarbonylContact O-C 3.46Å; F187-V190 WeakPolarHBondContact O-CA 3.22Å; F187-V190 WeakPolarHBondContact O-CB 3.36Å; F187-V190 PolarHBondContact O-N 3.46Å; N188-V190 PolarHBondContact O-N 2.87Å; V190-D192 VanDerWaalsContact C-N 3.31Å; V190-D192 PolarHBondContact O-N 3.23Å; V190-R193 WeakPolarHBondContact O-CA 3.49Å; V190-R193 WeakPolarHBondContact O-CB 3.39Å; V190-R193 PolarHBondContact O-N 3.37Å; V190-R194 PolarHBondContact O-N 3.32Å |
| 191 | D | 67.2 | Low | 81.3 | Confident | 50 Ų | 50 | 81.6 Ų | 81.6 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.6 | -27.9 | 178.5 | -77.6 | 18.7 | 0 | 0 | 0 | 114 | F187 N188 R193 R194 | F187-D191 PolarHBondContact O-N 2.95Å; N188-D191 WeakPolarHBondContact O-CA 3.48Å; N188-D191 VanDerWaalsContact O-CB 3.31Å; N188-D191 WeakPolarHBondContact O-CB 3.47Å; N188-D191 PolarHBondContact O-N 3.17Å; D191-R193 PolarHBondContact O-N 3.04Å; D191-R193 VanDerWaalsContact O-N 3.1Å; D191-R194 WeakPolarHBondContact O-CA 3.24Å; D191-R194 VanDerWaalsContact O-CB 3.25Å; D191-R194 WeakPolarHBondContact O-CB 3.24Å; D191-R194 PolarHBondContact O-N 2.96Å; D191-R194 WeakPolarHBondContact OD1-CD 3.47Å; D191-R194 IonicContact OD1-CZ 3.5Å; D191-R194 IonicContact OD1-NE 3.59Å; D191-R194 PolarHBondContact OD1-NE 3.36Å; D191-R194 IonicContact OD1-NH1 3.85Å; D191-R194 PolarHBondContact OD1-NH1 3.42Å; D191-R194 IonicContact OD1-NH2 2.82Å; D191-R194 PolarHBondContact OD1-NH2 3Å; D191-R194 IonicContact OD2-CZ 3.84Å; D191-R194 IonicContact OD2-NH1 3.47Å; D191-R194 PolarHBondContact OD2-NH1 2.86Å |
| 192 | D | 63.1 | Low | 81.1 | Confident | 112 Ų | 112 | 86.4 Ų | 86.4 | 60% | 0.599 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23.3 | 169.2 | -87 | -37.9 | 0 | 0 | 0 | 112.1 | N188 V190 | N188-D192 PolarHBondContact O-N 3.35Å; V190-D192 VanDerWaalsContact C-N 3.31Å; V190-D192 PolarHBondContact O-N 3.23Å |
| 193 | R | 63.2 | Low | 81.1 | Confident | 179 Ų | 179 | 81.5 Ų | 81.5 | 68% | 0.675 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -8.8 | 170.3 | -52 | 177.6 | 172.2 | 173.9 | -2.7 | 114 | V190 D191 K195 | V190-R193 WeakPolarHBondContact O-CA 3.49Å; V190-R193 WeakPolarHBondContact O-CB 3.39Å; V190-R193 PolarHBondContact O-N 3.37Å; D191-R193 PolarHBondContact O-N 3.04Å; D191-R193 VanDerWaalsContact O-N 3.1Å; R193-K195 VanDerWaalsContact C-N 3.34Å |
| 194 | R | 60.7 | Low | 80.9 | Confident | 50 Ų | 50 | 81 Ų | 81 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | trans | -81.7 | -6.3 | 170.6 | -69.3 | -175.3 | -176.9 | 159.8 | 2.5 | 113.3 | V132 E135 V190 D191 K196 | V132-R194 HydrophobicContact CG2-CG 4.42Å; E135-R194 IonicContact OE2-CZ 2.89Å; E135-R194 IonicContact OE2-NE 3.09Å; E135-R194 PolarHBondContact OE2-NE 3.24Å; E135-R194 IonicContact OE2-NH2 3.7Å; E135-R194 PolarHBondContact OE2-NH2 2.73Å; V190-R194 PolarHBondContact O-N 3.32Å; D191-R194 WeakPolarHBondContact O-CA 3.24Å; D191-R194 VanDerWaalsContact O-CB 3.25Å; D191-R194 WeakPolarHBondContact O-CB 3.24Å; D191-R194 PolarHBondContact O-N 2.96Å; D191-R194 WeakPolarHBondContact OD1-CD 3.47Å; D191-R194 IonicContact OD1-CZ 3.5Å; D191-R194 IonicContact OD1-NE 3.59Å; D191-R194 PolarHBondContact OD1-NE 3.36Å; D191-R194 IonicContact OD1-NH1 3.85Å; D191-R194 PolarHBondContact OD1-NH1 3.42Å; D191-R194 IonicContact OD1-NH2 2.82Å; D191-R194 PolarHBondContact OD1-NH2 3Å; D191-R194 IonicContact OD2-CZ 3.84Å; D191-R194 IonicContact OD2-NH1 3.47Å; D191-R194 PolarHBondContact OD2-NH1 2.86Å; R194-K196 PolarHBondContact O-N 3.38Å; R194-K196 VanDerWaalsContact O-N 3.14Å | ||
| 195 | K | 66.2 | Low | 80.8 | Confident | 150 Ų | 150 | 78.9 Ų | 78.9 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -46.3 | 128.7 | 166.7 | -73.3 | -179.5 | -174.2 | 171.2 | 0 | 107.7 | R193 R197 | R193-K195 VanDerWaalsContact C-N 3.34Å; K195-R197 PolarHBondContact O-N 2.71Å |
| 196 | K | 67.4 | Low | 80.8 | Confident | 175 Ų | 175 | 79.4 Ų | 79.4 | 76% | 0.761 | 37% | 0.372 | S | S | * | . | trans | -42.6 | 109.3 | -177.5 | -177.3 | -173 | 176.2 | -161.2 | 0 | 108.6 | R194 D198 | R194-K196 PolarHBondContact O-N 3.38Å; R194-K196 VanDerWaalsContact O-N 3.14Å; K196-D198 IonicContact NZ-OD2 3.19Å; K196-D198 PolarHBondContact O-N 3.06Å | ||
| 197 | R | 77.8 | Confident | 80.6 | Confident | 62 Ų | 62 | 76.9 Ų | 76.9 | 23% | 0.234 | 36% | 0.358 | C | S | . | . | trans | -68.3 | 103.3 | 179.6 | -73.8 | -177.5 | -179.2 | -173.5 | -0.4 | 107.5 | F124 E128 R131 K195 W271 | F124-R197 HydrophobicContact CE1-CB 3.69Å; F124-R197 HydrophobicContact CZ-CB 3.73Å; E128-R197 WeakPolarHBondContact OE1-CD 3.47Å; E128-R197 IonicContact OE1-NE 3.67Å; R131-R197 VanDerWaalsContact NH1-NH1 3.17Å; R131-R197 VanDerWaalsContact NH1-NH2 3.14Å; K195-R197 PolarHBondContact O-N 2.71Å; R197-W271 HydrophobicContact CB-CD2 4.11Å; R197-W271 HydrophobicContact CB-CE3 4.03Å; R197-W271 HydrophobicContact CB-CH2 3.73Å; R197-W271 HydrophobicContact CB-CZ2 3.76Å; R197-W271 HydrophobicContact CB-CZ3 3.86Å; R197-W271 HydrophobicContact CG-CD2 4.1Å; R197-W271 HydrophobicContact CG-CH2 4.33Å; R197-W271 HydrophobicContact CG-CZ2 3.83Å | ||
| 198 | D | 81.6 | Confident | 80.4 | Confident | 75 Ų | 75 | 76.7 Ų | 76.7 | 40% | 0.401 | 36% | 0.359 | S | S | . | . | trans | -135.5 | 142.7 | 178.6 | -147.9 | -16 | 0 | 0 | 0 | 107.3 | K196 P200 Y265 | K196-D198 IonicContact NZ-OD2 3.19Å; K196-D198 PolarHBondContact O-N 3.06Å; D198-P200 WeakPolarHBondContact O-CD 3.39Å; D198-Y265 PolarHBondContact O-OH 3.05Å | ||
| 199 | I | 87 | Confident | 80.3 | Confident | 8 Ų | 8 | 78.6 Ų | 78.6 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | trans | -82.9 | 122.7 | 177.8 | -58.6 | -175.4 | 0 | 0 | 0 | 107 | D201 L203 C204 L211 W271 A272 F275 | I199-D201 PolarHBondContact O-N 3.45Å; I199-L203 HydrophobicContact CG2-CB 4.24Å; I199-C204 VanDerWaalsContact CG2-SG 3.53Å; I199-L211 HydrophobicContact CD1-CB 4.1Å; I199-L211 HydrophobicContact CG2-CD1 3.74Å; I199-W271 HydrophobicContact CG1-CH2 4.43Å; I199-W271 HydrophobicContact CG1-CZ3 4.12Å; I199-A272 HydrophobicContact CD1-CB 4.17Å; I199-A272 HydrophobicContact CG1-CB 4.37Å; I199-F275 HydrophobicContact CD1-CB 3.71Å; I199-F275 HydrophobicContact CD1-CD1 3.68Å; I199-F275 HydrophobicContact CD1-CE1 4.44Å; I199-F275 HydrophobicContact CD1-CG 3.76Å; I199-F275 HydrophobicContact CG1-CB 4.44Å; I199-F275 HydrophobicContact CG1-CD1 4.13Å; I199-F275 HydrophobicContact CG1-CE1 4.5Å; I199-F275 HydrophobicContact CG1-CG 4.12Å | ||
| 200 | P | 91.2 | Very high | 80.6 | Confident | 35 Ų | 35 | 75.4 Ų | 75.4 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | trans | -56.4 | 130.6 | 176.6 | -22.5 | 29.4 | 0 | 0 | 0 | 112.1 | D198 Y202 L203 Y265 | D198-P200 WeakPolarHBondContact O-CD 3.39Å; P200-Y202 HydrophobicContact CB-CD1 3.65Å; P200-Y202 HydrophobicContact CB-CE1 3.18Å; P200-Y202 HydrophobicContact CB-CE2 4.18Å; P200-Y202 HydrophobicContact CB-CG 4.32Å; P200-Y202 VanDerWaalsContact CB-CZ 3.46Å; P200-Y202 HydrophobicContact CG-CE1 4.09Å; P200-Y202 PolarHBondContact O-N 3.48Å; P200-L203 HydrophobicContact CB-CD1 4.46Å; P200-L203 HydrophobicContact CB-CG 4.36Å; P200-L203 HydrophobicContact CG-CD1 4.16Å; P200-L203 WeakPolarHBondContact O-CB 3.18Å; P200-L203 PolarHBondContact O-N 3.11Å; P200-Y265 VanDerWaalsContact CD-OH 3.29Å; P200-Y265 WeakPolarHBondContact CD-OH 3.48Å; P200-Y265 HydrophobicContact CG-CE2 4.08Å | ||
| 201 | D | 90 | Very high | 81.6 | Confident | 128 Ų | 128 | 74.3 Ų | 74.3 | 68% | 0.684 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -21.7 | -176 | -71.9 | -19 | 0 | 0 | 0 | 114.9 | I199 C204 K206 | I199-D201 PolarHBondContact O-N 3.45Å; D201-C204 PolarHBondContact O-N 3.17Å; D201-K206 PolarHBondContact O-NZ 2.9Å |
| 202 | Y | 93.1 | Very high | 82.9 | Confident | 146 Ų | 146 | 72 Ų | 72 | 57% | 0.573 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -18.9 | 177.7 | 62.2 | -99.4 | 0 | 0 | 0 | 113.4 | P200 C204 M258 | P200-Y202 HydrophobicContact CB-CD1 3.65Å; P200-Y202 HydrophobicContact CB-CE1 3.18Å; P200-Y202 HydrophobicContact CB-CE2 4.18Å; P200-Y202 HydrophobicContact CB-CG 4.32Å; P200-Y202 VanDerWaalsContact CB-CZ 3.46Å; P200-Y202 HydrophobicContact CG-CE1 4.09Å; P200-Y202 PolarHBondContact O-N 3.48Å; Y202-C204 VanDerWaalsContact C-N 3.34Å; Y202-M258 WeakPolarHBondContact O-CE 3.36Å |
| 203 | L | 95.4 | Very high | 84.3 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -14.1 | 171 | -56.2 | -177.8 | 0 | 0 | 0 | 112.1 | I199 P200 L211 M212 M258 V261 I262 Y265 | I199-L203 HydrophobicContact CG2-CB 4.24Å; P200-L203 HydrophobicContact CB-CD1 4.46Å; P200-L203 HydrophobicContact CB-CG 4.36Å; P200-L203 HydrophobicContact CG-CD1 4.16Å; P200-L203 WeakPolarHBondContact O-CB 3.18Å; P200-L203 PolarHBondContact O-N 3.11Å; L203-L211 HydrophobicContact CB-CD1 3.68Å; L203-L211 HydrophobicContact CD1-CD1 4.37Å; L203-M212 VanDerWaalsContact O-CE 3.32Å; L203-M212 WeakPolarHBondContact O-CE 3.35Å; L203-M212 PolarHBondContact O-N 3.35Å; L203-M212 VanDerWaalsContact O-N 3.08Å; L203-M258 HydrophobicContact CD2-CE 4.17Å; L203-V261 HydrophobicContact CD2-CG1 3.75Å; L203-I262 HydrophobicContact CB-CG1 4.44Å; L203-I262 HydrophobicContact CD2-CG1 3.94Å; L203-Y265 HydrophobicContact CD1-CD1 3.55Å; L203-Y265 HydrophobicContact CD1-CD2 3.66Å; L203-Y265 HydrophobicContact CD1-CE1 3.96Å; L203-Y265 HydrophobicContact CD1-CE2 4.06Å; L203-Y265 HydrophobicContact CD1-CG 3.39Å |
| 204 | C | 92.7 | Very high | 85.9 | Confident | 12 Ų | 12 | 69.8 Ų | 69.8 | 8% | 0.081 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -89.3 | 142.8 | -179.8 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | I199 D201 Y202 E210 | I199-C204 VanDerWaalsContact CG2-SG 3.53Å; D201-C204 PolarHBondContact O-N 3.17Å; Y202-C204 VanDerWaalsContact C-N 3.34Å; C204-E210 CarbonylContact C-O 3.44Å; C204-E210 WeakPolarHBondContact CA-O 3.23Å |
| 205 | G | 91 | Very high | 87.7 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | trans | -69.1 | 143 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I207 F209 E210 M212 | G205-I207 PolarHBondContact O-N 3.09Å; G205-F209 WeakPolarHBondContact O-CA 3.19Å; G205-F209 PolarHBondContact O-N 3.39Å; G205-E210 PolarHBondContact N-O 3.15Å; G205-M212 VanDerWaalsContact N-CG 3.29Å | ||
| 206 | K | 90.3 | Very high | 89.2 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -8 | -178.1 | -55.3 | -55.5 | -179.2 | -165.5 | 0 | 115.1 | D201 F209 I222 Y224 V242 | D201-K206 PolarHBondContact O-NZ 2.9Å; K206-F209 WeakPolarHBondContact O-CE2 3.32Å; K206-I222 HydrophobicContact CG-CG2 4.05Å; K206-Y224 HydrophobicContact CB-CD1 4.03Å; K206-Y224 HydrophobicContact CB-CE1 3.68Å; K206-Y224 HydrophobicContact CG-CE1 4.4Å; K206-V242 HydrophobicContact CB-CG2 4.24Å |
| 207 | I | 88.6 | Confident | 90.7 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -57.3 | 176.6 | -60.5 | 166.6 | 0 | 0 | 0 | 110 | R117 G205 F209 Y224 D228 I229 H232 P241 | R117-I207 PolarHBondContact NH2-O 3.45Å; G205-I207 PolarHBondContact O-N 3.09Å; I207-F209 VanDerWaalsContact O-CD2 3.27Å; I207-F209 WeakPolarHBondContact O-CD2 3.49Å; I207-Y224 HydrophobicContact CD1-CD1 3.77Å; I207-Y224 HydrophobicContact CD1-CE1 4.15Å; I207-Y224 HydrophobicContact CG1-CD1 3.77Å; I207-Y224 HydrophobicContact CG1-CE1 3.93Å; I207-D228 HydrophobicContact CB-CB 4Å; I207-D228 HydrophobicContact CD1-CB 4.04Å; I207-D228 HydrophobicContact CG2-CB 4.09Å; I207-I229 HydrophobicContact CD1-CB 4.24Å; I207-I229 HydrophobicContact CD1-CD1 4.09Å; I207-H232 HydrophobicContact CD1-CB 4.12Å; I207-P241 HydrophobicContact CD1-CG 3.88Å; I207-P241 HydrophobicContact CG1-CB 4.47Å; I207-P241 HydrophobicContact CG1-CG 4.08Å |
| 208 | S | 83.3 | Confident | 91.6 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -22.6 | -178.9 | 48.2 | 0 | 0 | 0 | 0 | 113.9 | R117 E210 D228 | R117-S208 PolarHBondContact NE-O 3.24Å; R117-S208 PolarHBondContact NH2-O 3.25Å; S208-E210 PolarHBondContact O-N 3.37Å; S208-E210 VanDerWaalsContact O-N 3.09Å; S208-D228 WeakPolarHBondContact CB-OD2 3.32Å; S208-D228 PolarHBondContact OG-OD2 2.87Å |
| 209 | F | 84 | Confident | 92.4 | Very high | 123 Ų | 123 | 52.4 Ų | 52.4 | 54% | 0.539 | 25% | 0.253 | S | S | . | . | trans | 50.2 | 25.2 | -169.7 | -56.4 | -101.3 | 0 | 0 | 0 | 112.4 | R117 G205 K206 I207 | R117-F209 VanDerWaalsContact CZ-CD2 3.48Å; G205-F209 WeakPolarHBondContact O-CA 3.19Å; G205-F209 PolarHBondContact O-N 3.39Å; K206-F209 WeakPolarHBondContact O-CE2 3.32Å; I207-F209 VanDerWaalsContact O-CD2 3.27Å; I207-F209 WeakPolarHBondContact O-CD2 3.49Å | ||
| 210 | E | 87.2 | Confident | 92.8 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -107.7 | 159.1 | 173.6 | -66.1 | -177.4 | 173.8 | 0 | 0 | 108.4 | R120 C204 G205 S208 M212 | R120-E210 IonicContact CZ-OE1 2.83Å; R120-E210 IonicContact NH1-OE1 3.06Å; R120-E210 PolarHBondContact NH1-OE1 3.39Å; R120-E210 IonicContact NH1-OE2 2.88Å; C204-E210 CarbonylContact C-O 3.44Å; C204-E210 WeakPolarHBondContact CA-O 3.23Å; G205-E210 PolarHBondContact N-O 3.15Å; S208-E210 PolarHBondContact O-N 3.37Å; S208-E210 VanDerWaalsContact O-N 3.09Å; E210-M212 PolarHBondContact O-N 3.44Å |
| 211 | L | 92.1 | Very high | 93 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -53.3 | 122.8 | 174.3 | -172.6 | 70.4 | 0 | 0 | 0 | 110.2 | I199 L203 I262 I266 A272 | I199-L211 HydrophobicContact CD1-CB 4.1Å; I199-L211 HydrophobicContact CG2-CD1 3.74Å; L203-L211 HydrophobicContact CB-CD1 3.68Å; L203-L211 HydrophobicContact CD1-CD1 4.37Å; L211-I262 HydrophobicContact CD1-CG2 4.24Å; L211-I262 HydrophobicContact CG-CG2 4.29Å; L211-I266 HydrophobicContact CD2-CD1 3.93Å; L211-I266 HydrophobicContact CD2-CG1 3.87Å; L211-A272 HydrophobicContact CD2-CB 4.37Å |
| 212 | M | 95.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | trans | -67.2 | 135.7 | -179.5 | -60.5 | 178.8 | -80.3 | 0 | 0 | 110 | L203 G205 E210 P215 T223 Y224 D225 M258 I262 | L203-M212 VanDerWaalsContact O-CE 3.32Å; L203-M212 WeakPolarHBondContact O-CE 3.35Å; L203-M212 PolarHBondContact O-N 3.35Å; L203-M212 VanDerWaalsContact O-N 3.08Å; G205-M212 VanDerWaalsContact N-CG 3.29Å; E210-M212 PolarHBondContact O-N 3.44Å; M212-P215 HydrophobicContact CB-CB 4.34Å; M212-P215 HydrophobicContact SD-CB 4.2Å; M212-T223 HydrophobicContact CE-CG2 4.02Å; M212-T223 HydrophobicContact SD-CG2 3.78Å; M212-Y224 VanDerWaalsContact SD-C 3.56Å; M212-D225 HydrophobicContact CB-CB 4.31Å; M212-D225 HydrophobicContact CG-CB 4.2Å; M212-M258 HydrophobicContact CE-CE 3.96Å; M212-I262 HydrophobicContact CB-CD1 3.83Å; M212-I262 HydrophobicContact CE-CD1 4.2Å | ||
| 213 | R | 93.5 | Very high | 93.5 | Very high | 173 Ų | 173 | 45 Ų | 45 | 65% | 0.653 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -97.7 | -38.2 | 176.9 | -64.3 | -174.7 | 178.8 | -96.4 | -3.3 | 111.7 | D225 K259 | R213-D225 PolarHBondContact N-OD2 2.98Å; R213-K259 PolarHBondContact O-NZ 3.12Å; R213-K259 VanDerWaalsContact O-NZ 3.12Å |
| 214 | D | 96.9 | Very high | 93.6 | Very high | 70 Ų | 70 | 45 Ų | 45 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -133.1 | 80.9 | 179.7 | -179 | 8.2 | 0 | 0 | 0 | 109.6 | D225 R226 | D214-D225 PolarHBondContact N-OD2 2.93Å; D214-R226 HydrophobicContact CB-CB 4.18Å; D214-R226 WeakPolarHBondContact O-CB 3.48Å; D214-R226 PolarHBondContact O-N 3.12Å; D214-R226 IonicContact OD1-CZ 2.77Å; D214-R226 IonicContact OD1-NE 3.43Å; D214-R226 PolarHBondContact OD1-NE 2.83Å; D214-R226 IonicContact OD1-NH2 2.82Å; D214-R226 PolarHBondContact OD1-NH2 2.9Å; D214-R226 VanDerWaalsContact OD2-CD 3.23Å; D214-R226 WeakPolarHBondContact OD2-CD 3.41Å; D214-R226 IonicContact OD2-CZ 3.56Å; D214-R226 IonicContact OD2-NE 3.97Å; D214-R226 PolarHBondContact OD2-NE 2.87Å; D214-R226 IonicContact OD2-NH2 2.6Å |
| 215 | P | 98 | Very high | 93.8 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 133.2 | -174.4 | 29 | -34.5 | 0 | 0 | 0 | 112.1 | M212 T223 Y224 N255 M258 K259 I262 | M212-P215 HydrophobicContact CB-CB 4.34Å; M212-P215 HydrophobicContact SD-CB 4.2Å; P215-T223 HydrophobicContact CB-CG2 3.7Å; P215-Y224 CarbonylContact C-O 3.17Å; P215-Y224 WeakPolarHBondContact CA-O 3.35Å; P215-N255 HydrophobicContact CB-CB 4.35Å; P215-N255 PolarHBondContact O-N 3.02Å; P215-M258 HydrophobicContact CB-CB 4.09Å; P215-M258 HydrophobicContact CG-CB 4.08Å; P215-K259 HydrophobicContact CG-CB 3.84Å; P215-I262 HydrophobicContact CB-CD1 4.46Å; P215-I262 HydrophobicContact CG-CD1 4.19Å |
| 216 | V | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.5 | 173 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | T223 Y224 R226 I229 L252 I253 | V216-T223 CarbonylContact O-C 3.55Å; V216-T223 VanDerWaalsContact O-CA 3.24Å; V216-T223 WeakPolarHBondContact O-CA 3.47Å; V216-T223 WeakPolarHBondContact O-CG2 3.27Å; V216-Y224 PolarHBondContact N-O 3.33Å; V216-Y224 PolarHBondContact O-N 2.92Å; V216-R226 HydrophobicContact CG1-CB 3.9Å; V216-R226 HydrophobicContact CG1-CG 4.15Å; V216-R226 HydrophobicContact CG2-CB 4.29Å; V216-I229 HydrophobicContact CG2-CG2 3.57Å; V216-L252 HydrophobicContact CB-CB 4.45Å; V216-L252 HydrophobicContact CG2-CD2 4.38Å; V216-I253 CarbonylContact C-O 3.07Å; V216-I253 VanDerWaalsContact CA-O 3.27Å; V216-I253 WeakPolarHBondContact CA-O 2.99Å |
| 217 | I | 97.7 | Very high | 94.3 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.4 | 179.2 | -169.3 | 162.6 | 0 | 0 | 0 | 110.9 | I222 I253 N255 | I217-I222 WeakPolarHBondContact CA-O 3.48Å; I217-I253 HydrophobicContact CG2-CB 4.04Å; I217-I253 PolarHBondContact N-O 3.03Å; I217-I253 PolarHBondContact O-N 2.86Å; I217-I253 VanDerWaalsContact O-N 3.14Å; I217-N255 HydrophobicContact CB-CB 4.19Å; I217-N255 HydrophobicContact CG2-CB 4.32Å |
| 218 | T | 97.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | trans | -86 | 161 | 172.8 | 68.6 | 0 | 0 | 0 | 0 | 110.6 | S220 G221 I222 Y224 D240 L247 L252 | T218-S220 PolarHBondContact O-N 3.2Å; T218-S220 VanDerWaalsContact O-N 3.08Å; T218-G221 PolarHBondContact O-N 3.44Å; T218-I222 PolarHBondContact N-O 3.05Å; T218-I222 PolarHBondContact OG1-N 3.36Å; T218-I222 PolarHBondContact OG1-O 3.24Å; T218-Y224 HydrophobicContact CG2-CD2 3.79Å; T218-Y224 HydrophobicContact CG2-CE2 3.62Å; T218-D240 WeakPolarHBondContact CG2-OD2 3.46Å; T218-D240 PolarHBondContact OG1-OD2 3.39Å; T218-L247 HydrophobicContact CG2-CD1 4.06Å; T218-L247 HydrophobicContact CG2-CD2 3.58Å; T218-L252 HydrophobicContact CG2-CD2 3.97Å | ||
| 219 | P | 97.5 | Very high | 95.2 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 59% | 0.591 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -24.5 | 174.2 | -26.8 | 35.8 | 0 | 0 | 0 | 114 | G221 Q251 | P219-G221 PolarHBondContact O-N 3.09Å; P219-Q251 HydrophobicContact CG-CB 3.89Å; P219-Q251 HydrophobicContact CG-CG 4.41Å |
| 220 | S | 95.7 | Very high | 95.7 | Very high | 50 Ų | 50 | 46.9 Ų | 46.9 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -2.2 | 174.4 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | T218 T243 T245 | T218-S220 PolarHBondContact O-N 3.2Å; T218-S220 VanDerWaalsContact O-N 3.08Å; S220-T243 PolarHBondContact OG-OG1 2.97Å; S220-T245 PolarHBondContact OG-OG1 2.97Å; S220-T245 VanDerWaalsContact OG-OG1 3.07Å |
| 221 | G | 95.8 | Very high | 95.9 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 46% | 0.464 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 82.8 | 7.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T218 P219 | T218-G221 PolarHBondContact O-N 3.44Å; P219-G221 PolarHBondContact O-N 3.09Å |
| 222 | I | 96.5 | Very high | 96 | Very high | 42 Ų | 42 | 46.1 Ų | 46.1 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | trans | -89.9 | 132.1 | -179.7 | -49.8 | -60.4 | 0 | 0 | 0 | 109.7 | K206 I217 T218 Y224 V242 T243 | K206-I222 HydrophobicContact CG-CG2 4.05Å; I217-I222 WeakPolarHBondContact CA-O 3.48Å; T218-I222 PolarHBondContact N-O 3.05Å; T218-I222 PolarHBondContact OG1-N 3.36Å; T218-I222 PolarHBondContact OG1-O 3.24Å; I222-Y224 HydrophobicContact CB-CE2 3.7Å; I222-Y224 HydrophobicContact CG2-CD2 4.19Å; I222-Y224 HydrophobicContact CG2-CE1 4.12Å; I222-Y224 HydrophobicContact CG2-CE2 3.45Å; I222-Y224 VanDerWaalsContact CG2-CE2 3.45Å; I222-Y224 WeakPolarHBondContact CG2-OH 3.32Å; I222-V242 HydrophobicContact CG2-CG2 4.4Å; I222-T243 HydrophobicContact CG1-CG2 4.19Å | ||
| 223 | T | 97.3 | Very high | 96 | Very high | 23 Ų | 23 | 46.1 Ų | 46.1 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 136.2 | 177 | -56.6 | 0 | 0 | 0 | 0 | 111 | M212 P215 V216 N255 M258 | M212-T223 HydrophobicContact CE-CG2 4.02Å; M212-T223 HydrophobicContact SD-CG2 3.78Å; P215-T223 HydrophobicContact CB-CG2 3.7Å; V216-T223 CarbonylContact O-C 3.55Å; V216-T223 VanDerWaalsContact O-CA 3.24Å; V216-T223 WeakPolarHBondContact O-CA 3.47Å; V216-T223 WeakPolarHBondContact O-CG2 3.27Å; T223-N255 HydrophobicContact CG2-CB 4.25Å; T223-N255 PolarHBondContact OG1-ND2 3.47Å; T223-M258 HydrophobicContact CG2-CG 4.36Å |
| 224 | Y | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 161.4 | 178 | -60.5 | -87 | 0 | 0 | 0 | 110.2 | K206 I207 M212 P215 V216 T218 I222 I229 D240 P241 V242 | K206-Y224 HydrophobicContact CB-CD1 4.03Å; K206-Y224 HydrophobicContact CB-CE1 3.68Å; K206-Y224 HydrophobicContact CG-CE1 4.4Å; I207-Y224 HydrophobicContact CD1-CD1 3.77Å; I207-Y224 HydrophobicContact CD1-CE1 4.15Å; I207-Y224 HydrophobicContact CG1-CD1 3.77Å; I207-Y224 HydrophobicContact CG1-CE1 3.93Å; M212-Y224 VanDerWaalsContact SD-C 3.56Å; P215-Y224 CarbonylContact C-O 3.17Å; P215-Y224 WeakPolarHBondContact CA-O 3.35Å; V216-Y224 PolarHBondContact N-O 3.33Å; V216-Y224 PolarHBondContact O-N 2.92Å; T218-Y224 HydrophobicContact CG2-CD2 3.79Å; T218-Y224 HydrophobicContact CG2-CE2 3.62Å; I222-Y224 HydrophobicContact CB-CE2 3.7Å; I222-Y224 HydrophobicContact CG2-CD2 4.19Å; I222-Y224 HydrophobicContact CG2-CE1 4.12Å; I222-Y224 HydrophobicContact CG2-CE2 3.45Å; I222-Y224 VanDerWaalsContact CG2-CE2 3.45Å; I222-Y224 WeakPolarHBondContact CG2-OH 3.32Å; Y224-I229 HydrophobicContact CD1-CD1 4.47Å; Y224-I229 HydrophobicContact CD2-CB 4.45Å; Y224-I229 HydrophobicContact CD2-CD1 4.09Å; Y224-I229 HydrophobicContact CD2-CG1 4.2Å; Y224-I229 HydrophobicContact CE2-CD1 4.21Å; Y224-I229 HydrophobicContact CG-CB 4.11Å; Y224-I229 HydrophobicContact CG-CD1 4.22Å; Y224-I229 HydrophobicContact CG-CG1 4.32Å; Y224-D240 PolarHBondContact OH-OD1 3.01Å; Y224-D240 VanDerWaalsContact OH-OD1 3.09Å; Y224-P241 HydrophobicContact CE1-CB 4.32Å; Y224-P241 HydrophobicContact CE1-CG 3.91Å; Y224-V242 HydrophobicContact CE1-CG2 4.45Å; Y224-V242 VanDerWaalsContact OH-CG2 3.28Å; Y224-V242 WeakPolarHBondContact OH-CG2 3.38Å; Y224-V242 PolarHBondContact OH-N 2.94Å |
| 225 | D | 97 | Very high | 95.4 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 132.1 | 160.2 | -170.6 | -77.3 | 0 | 0 | 0 | 109.3 | M212 R213 D214 K227 D228 I229 | M212-D225 HydrophobicContact CB-CB 4.31Å; M212-D225 HydrophobicContact CG-CB 4.2Å; R213-D225 PolarHBondContact N-OD2 2.98Å; D214-D225 PolarHBondContact N-OD2 2.93Å; D225-K227 PolarHBondContact O-N 3.09Å; D225-K227 VanDerWaalsContact OD1-CB 3.29Å; D225-K227 WeakPolarHBondContact OD1-CB 3.28Å; D225-K227 PolarHBondContact OD1-N 3.47Å; D225-D228 HydrophobicContact CB-CB 4.49Å; D225-D228 PolarHBondContact O-N 3.16Å; D225-D228 VanDerWaalsContact O-N 3.13Å; D225-I229 WeakPolarHBondContact O-CG2 3.29Å; D225-I229 PolarHBondContact O-N 3.31Å; D225-I229 VanDerWaalsContact O-N 3.09Å |
| 226 | R | 97.5 | Very high | 94.9 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -51.3 | -45 | -177.9 | -175.3 | -175.7 | -55.6 | -78.4 | -7.7 | 111.9 | D214 V216 D228 I229 M230 | D214-R226 HydrophobicContact CB-CB 4.18Å; D214-R226 WeakPolarHBondContact O-CB 3.48Å; D214-R226 PolarHBondContact O-N 3.12Å; D214-R226 IonicContact OD1-CZ 2.77Å; D214-R226 IonicContact OD1-NE 3.43Å; D214-R226 PolarHBondContact OD1-NE 2.83Å; D214-R226 IonicContact OD1-NH2 2.82Å; D214-R226 PolarHBondContact OD1-NH2 2.9Å; D214-R226 VanDerWaalsContact OD2-CD 3.23Å; D214-R226 WeakPolarHBondContact OD2-CD 3.41Å; D214-R226 IonicContact OD2-CZ 3.56Å; D214-R226 IonicContact OD2-NE 3.97Å; D214-R226 PolarHBondContact OD2-NE 2.87Å; D214-R226 IonicContact OD2-NH2 2.6Å; V216-R226 HydrophobicContact CG1-CB 3.9Å; V216-R226 HydrophobicContact CG1-CG 4.15Å; V216-R226 HydrophobicContact CG2-CB 4.29Å; R226-D228 VanDerWaalsContact C-N 3.3Å; R226-D228 PolarHBondContact O-N 3.3Å; R226-I229 WeakPolarHBondContact O-CG2 3.36Å; R226-M230 HydrophobicContact CG-CG 4.17Å; R226-M230 HydrophobicContact CG-SD 3.64Å; R226-M230 VanDerWaalsContact O-CB 3.28Å; R226-M230 WeakPolarHBondContact O-CB 3.14Å; R226-M230 WeakPolarHBondContact O-CG 3.07Å; R226-M230 PolarHBondContact O-N 2.98Å |
| 227 | K | 94.8 | Very high | 94.6 | Very high | 142 Ų | 142 | 54 Ų | 54 | 62% | 0.617 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | -176.1 | -178.8 | -175.8 | 171.1 | -170.6 | 0 | 111 | D225 E231 | D225-K227 PolarHBondContact O-N 3.09Å; D225-K227 VanDerWaalsContact OD1-CB 3.29Å; D225-K227 WeakPolarHBondContact OD1-CB 3.28Å; D225-K227 PolarHBondContact OD1-N 3.47Å; K227-E231 WeakPolarHBondContact O-CB 3.42Å; K227-E231 PolarHBondContact O-N 2.61Å; K227-E231 VanDerWaalsContact O-N 3.08Å |
| 228 | D | 93.8 | Very high | 94.6 | Very high | 33 Ų | 33 | 58 Ų | 58 | 18% | 0.176 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.9 | -44.4 | -175.6 | -61 | -35.3 | 0 | 0 | 0 | 111.9 | I207 S208 D225 R226 E231 H232 | I207-D228 HydrophobicContact CB-CB 4Å; I207-D228 HydrophobicContact CD1-CB 4.04Å; I207-D228 HydrophobicContact CG2-CB 4.09Å; S208-D228 WeakPolarHBondContact CB-OD2 3.32Å; S208-D228 PolarHBondContact OG-OD2 2.87Å; D225-D228 HydrophobicContact CB-CB 4.49Å; D225-D228 PolarHBondContact O-N 3.16Å; D225-D228 VanDerWaalsContact O-N 3.13Å; R226-D228 VanDerWaalsContact C-N 3.3Å; R226-D228 PolarHBondContact O-N 3.3Å; D228-E231 PolarHBondContact O-N 2.92Å; D228-H232 PolarHBondContact O-N 3.45Å |
| 229 | I | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 178.8 | -170.8 | 61.2 | 0 | 0 | 0 | 111.5 | I207 V216 Y224 D225 R226 E231 H232 L233 P241 L247 L252 | I207-I229 HydrophobicContact CD1-CB 4.24Å; I207-I229 HydrophobicContact CD1-CD1 4.09Å; V216-I229 HydrophobicContact CG2-CG2 3.57Å; Y224-I229 HydrophobicContact CD1-CD1 4.47Å; Y224-I229 HydrophobicContact CD2-CB 4.45Å; Y224-I229 HydrophobicContact CD2-CD1 4.09Å; Y224-I229 HydrophobicContact CD2-CG1 4.2Å; Y224-I229 HydrophobicContact CE2-CD1 4.21Å; Y224-I229 HydrophobicContact CG-CB 4.11Å; Y224-I229 HydrophobicContact CG-CD1 4.22Å; Y224-I229 HydrophobicContact CG-CG1 4.32Å; D225-I229 WeakPolarHBondContact O-CG2 3.29Å; D225-I229 PolarHBondContact O-N 3.31Å; D225-I229 VanDerWaalsContact O-N 3.09Å; R226-I229 WeakPolarHBondContact O-CG2 3.36Å; I229-E231 VanDerWaalsContact C-N 3.35Å; I229-H232 PolarHBondContact O-N 3.34Å; I229-L233 HydrophobicContact CG1-CD1 4.35Å; I229-L233 HydrophobicContact CG1-CG 4.46Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.48Å; I229-L233 PolarHBondContact O-N 2.95Å; I229-P241 VanDerWaalsContact CD1-CD 3.48Å; I229-P241 HydrophobicContact CD1-CG 3.72Å; I229-L247 HydrophobicContact CD1-CD2 4.09Å; I229-L247 HydrophobicContact CG1-CD2 4.32Å; I229-L252 HydrophobicContact CG1-CD1 4.48Å; I229-L252 HydrophobicContact CG1-CD2 4.06Å; I229-L252 HydrophobicContact CG2-CD1 3.83Å; I229-L252 HydrophobicContact CG2-CD2 4.28Å |
| 230 | M | 95.7 | Very high | 94.5 | Very high | 84 Ų | 84 | 55.7 Ų | 55.7 | 41% | 0.414 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 173.8 | -74.2 | -176.9 | 70.9 | 0 | 0 | 111.8 | R226 L233 H234 L252 | R226-M230 HydrophobicContact CG-CG 4.17Å; R226-M230 HydrophobicContact CG-SD 3.64Å; R226-M230 VanDerWaalsContact O-CB 3.28Å; R226-M230 WeakPolarHBondContact O-CB 3.14Å; R226-M230 WeakPolarHBondContact O-CG 3.07Å; R226-M230 PolarHBondContact O-N 2.98Å; M230-L233 PolarHBondContact O-N 2.74Å; M230-H234 WeakPolarHBondContact O-CB 3.15Å; M230-H234 PolarHBondContact O-N 3.42Å; M230-H234 VanDerWaalsContact O-N 3.08Å; M230-L252 HydrophobicContact CG-CD1 4.3Å |
| 231 | E | 91.4 | Very high | 94.4 | Very high | 53 Ų | 53 | 54.8 Ų | 54.8 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.1 | -176 | 161.4 | -168.4 | 0 | 0 | 111.7 | K102 K227 D228 I229 H234 R235 | K102-E231 WeakPolarHBondContact CE-OE1 3.41Å; K102-E231 IonicContact NZ-OE1 3.38Å; K102-E231 PolarHBondContact NZ-OE1 3.28Å; K102-E231 IonicContact NZ-OE2 3.59Å; K102-E231 PolarHBondContact NZ-OE2 3.47Å; K227-E231 WeakPolarHBondContact O-CB 3.42Å; K227-E231 PolarHBondContact O-N 2.61Å; K227-E231 VanDerWaalsContact O-N 3.08Å; D228-E231 PolarHBondContact O-N 2.92Å; I229-E231 VanDerWaalsContact C-N 3.35Å; E231-H234 PolarHBondContact O-N 3.3Å; E231-R235 HydrophobicContact CG-CG 4.48Å; E231-R235 WeakPolarHBondContact O-CB 3.48Å; E231-R235 PolarHBondContact O-N 3.06Å; E231-R235 IonicContact OE1-CZ 2.81Å; E231-R235 IonicContact OE1-NE 3.72Å; E231-R235 IonicContact OE1-NH1 2.73Å; E231-R235 PolarHBondContact OE1-NH1 3.11Å; E231-R235 IonicContact OE1-NH2 3.48Å |
| 232 | H | 92.3 | Very high | 94.3 | Very high | 23 Ų | 23 | 56.7 Ų | 56.7 | 11% | 0.106 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 173.4 | 171.1 | 86.1 | 0 | 0 | 0 | 112.1 | I207 D228 I229 H234 R235 V236 G237 F239 | I207-H232 HydrophobicContact CD1-CB 4.12Å; D228-H232 PolarHBondContact O-N 3.45Å; I229-H232 PolarHBondContact O-N 3.34Å; H232-H234 PolarHBondContact O-N 3.24Å; H232-R235 PolarHBondContact O-N 2.96Å; H232-V236 WeakPolarHBondContact ND1-CB 3.4Å; H232-V236 WeakPolarHBondContact O-CA 3.49Å; H232-V236 WeakPolarHBondContact O-CB 3.43Å; H232-V236 PolarHBondContact O-N 3.37Å; H232-G237 PolarHBondContact O-N 3.45Å; H232-F239 PolarHBondContact CD2-O 2.87Å; H232-F239 AromaticContact CE1-CE2 3.83Å; H232-F239 AromaticContact CE1-CZ 3.92Å; H232-F239 AromaticContact NE2-CE2 3.92Å; H232-F239 PolarHBondContact NE2-O 3.22Å |
| 233 | L | 95.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -30.4 | -179.8 | -70.3 | 176.1 | 0 | 0 | 0 | 112.7 | I229 M230 G237 H238 L247 V249 L252 | I229-L233 HydrophobicContact CG1-CD1 4.35Å; I229-L233 HydrophobicContact CG1-CG 4.46Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.48Å; I229-L233 PolarHBondContact O-N 2.95Å; M230-L233 PolarHBondContact O-N 2.74Å; L233-G237 WeakPolarHBondContact CA-O 3.47Å; L233-H238 PolarHBondContact O-CE1 3.26Å; L233-L247 HydrophobicContact CD1-CD2 4.44Å; L233-L247 HydrophobicContact CD1-CG 4.45Å; L233-L247 HydrophobicContact CD2-CB 4.18Å; L233-L247 HydrophobicContact CD2-CD2 4.12Å; L233-L247 HydrophobicContact CD2-CG 4.12Å; L233-L247 WeakPolarHBondContact CD2-O 3.31Å; L233-V249 HydrophobicContact CB-CG2 4.4Å; L233-V249 HydrophobicContact CD1-CG2 3.86Å; L233-L252 HydrophobicContact CD1-CD1 4.04Å |
| 234 | H | 91.5 | Very high | 94.1 | Very high | 161 Ų | 161 | 64.8 Ų | 64.8 | 75% | 0.745 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -83.1 | -34.9 | 178.7 | -174 | 63 | 0 | 0 | 0 | 113.7 | M230 E231 H232 | M230-H234 WeakPolarHBondContact O-CB 3.15Å; M230-H234 PolarHBondContact O-N 3.42Å; M230-H234 VanDerWaalsContact O-N 3.08Å; E231-H234 PolarHBondContact O-N 3.3Å; H232-H234 PolarHBondContact O-N 3.24Å |
| 235 | R | 87.1 | Confident | 94.1 | Very high | 135 Ų | 135 | 67.2 Ų | 67.2 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -107.1 | -31.5 | -170.1 | -66.8 | -174.1 | 171.9 | -178 | 1 | 115.1 | E231 H232 | E231-R235 HydrophobicContact CG-CG 4.48Å; E231-R235 WeakPolarHBondContact O-CB 3.48Å; E231-R235 PolarHBondContact O-N 3.06Å; E231-R235 IonicContact OE1-CZ 2.81Å; E231-R235 IonicContact OE1-NE 3.72Å; E231-R235 IonicContact OE1-NH1 2.73Å; E231-R235 PolarHBondContact OE1-NH1 3.11Å; E231-R235 IonicContact OE1-NH2 3.48Å; H232-R235 PolarHBondContact O-N 2.96Å |
| 236 | V | 88.2 | Confident | 94.1 | Very high | 96 Ų | 96 | 72 Ų | 72 | 58% | 0.582 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -48.8 | -174 | -175.5 | 0 | 0 | 0 | 0 | 110 | H232 F239 | H232-V236 WeakPolarHBondContact ND1-CB 3.4Å; H232-V236 WeakPolarHBondContact O-CA 3.49Å; H232-V236 WeakPolarHBondContact O-CB 3.43Å; H232-V236 PolarHBondContact O-N 3.37Å; V236-F239 HydrophobicContact CG1-CE1 4.34Å; V236-F239 HydrophobicContact CG1-CZ 3.94Å |
| 237 | G | 91.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 19% | 0.186 | 35% | 0.346 | C | S | . | . | trans | 155 | 168.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | H232 L233 F239 | H232-G237 PolarHBondContact O-N 3.45Å; L233-G237 WeakPolarHBondContact CA-O 3.47Å; G237-F239 PolarHBondContact O-N 3.21Å | ||
| 238 | H | 96.4 | Very high | 94.2 | Very high | 135 Ų | 135 | 64.1 Ų | 64.1 | 63% | 0.625 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -80.8 | 58.2 | -175.3 | -59.2 | -63.3 | 0 | 0 | 0 | 113.1 | L233 L247 | L233-H238 PolarHBondContact O-CE1 3.26Å; H238-L247 CarbonylContact C-O 3.51Å; H238-L247 WeakPolarHBondContact CA-O 3.35Å; H238-L247 PolarHBondContact O-N 3.46Å |
| 239 | F | 96.8 | Very high | 94.3 | Very high | 48 Ų | 48 | 66.1 Ų | 66.1 | 21% | 0.211 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -146.4 | 151.8 | 177.2 | 64.5 | -90.8 | 0 | 0 | 0 | 111.3 | H232 V236 G237 T245 | H232-F239 PolarHBondContact CD2-O 2.87Å; H232-F239 AromaticContact CE1-CE2 3.83Å; H232-F239 AromaticContact CE1-CZ 3.92Å; H232-F239 AromaticContact NE2-CE2 3.92Å; H232-F239 PolarHBondContact NE2-O 3.22Å; V236-F239 HydrophobicContact CG1-CE1 4.34Å; V236-F239 HydrophobicContact CG1-CZ 3.94Å; G237-F239 PolarHBondContact O-N 3.21Å; F239-T245 CarbonylContact C-O 3.54Å; F239-T245 WeakPolarHBondContact CA-O 3.35Å; F239-T245 WeakPolarHBondContact CB-O 3.38Å |
| 240 | D | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | -65.8 | 125.6 | 176.3 | 178.7 | -70.7 | 0 | 0 | 0 | 110.6 | T218 Y224 V242 T243 R244 T245 L247 | T218-D240 WeakPolarHBondContact CG2-OD2 3.46Å; T218-D240 PolarHBondContact OG1-OD2 3.39Å; Y224-D240 PolarHBondContact OH-OD1 3.01Å; Y224-D240 VanDerWaalsContact OH-OD1 3.09Å; D240-V242 PolarHBondContact O-N 3.24Å; D240-V242 VanDerWaalsContact O-N 3.15Å; D240-V242 PolarHBondContact OD1-N 3.22Å; D240-T243 VanDerWaalsContact CB-OG1 3.24Å; D240-T243 WeakPolarHBondContact CB-OG1 3.4Å; D240-T243 PolarHBondContact OD1-N 3.39Å; D240-T243 PolarHBondContact OD1-OG1 2.91Å; D240-R244 VanDerWaalsContact O-CA 3.24Å; D240-R244 WeakPolarHBondContact O-CA 3.48Å; D240-R244 PolarHBondContact O-N 2.92Å; D240-T245 PolarHBondContact N-O 3.3Å; D240-L247 HydrophobicContact CB-CB 4.32Å; D240-L247 HydrophobicContact CB-CD2 4.03Å | ||
| 241 | P | 94.2 | Very high | 94.4 | Very high | 31 Ų | 31 | 72.1 Ų | 72.1 | 20% | 0.201 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.8 | -175 | -23.1 | 26.1 | 0 | 0 | 0 | 115.1 | I207 Y224 I229 | I207-P241 HydrophobicContact CD1-CG 3.88Å; I207-P241 HydrophobicContact CG1-CB 4.47Å; I207-P241 HydrophobicContact CG1-CG 4.08Å; Y224-P241 HydrophobicContact CE1-CB 4.32Å; Y224-P241 HydrophobicContact CE1-CG 3.91Å; I229-P241 VanDerWaalsContact CD1-CD 3.48Å; I229-P241 HydrophobicContact CD1-CG 3.72Å |
| 242 | V | 93.7 | Very high | 94.7 | Very high | 84 Ų | 84 | 70.3 Ų | 70.3 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -50.6 | -173.9 | 173 | 0 | 0 | 0 | 0 | 110.4 | K206 I222 Y224 D240 | K206-V242 HydrophobicContact CB-CG2 4.24Å; I222-V242 HydrophobicContact CG2-CG2 4.4Å; Y224-V242 HydrophobicContact CE1-CG2 4.45Å; Y224-V242 VanDerWaalsContact OH-CG2 3.28Å; Y224-V242 WeakPolarHBondContact OH-CG2 3.38Å; Y224-V242 PolarHBondContact OH-N 2.94Å; D240-V242 PolarHBondContact O-N 3.24Å; D240-V242 VanDerWaalsContact O-N 3.15Å; D240-V242 PolarHBondContact OD1-N 3.22Å |
| 243 | T | 95.7 | Very high | 95 | Very high | 56 Ų | 56 | 74.4 Ų | 74.4 | 34% | 0.344 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -13.9 | -172.8 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | S220 I222 D240 T245 | S220-T243 PolarHBondContact OG-OG1 2.97Å; I222-T243 HydrophobicContact CG1-CG2 4.19Å; D240-T243 VanDerWaalsContact CB-OG1 3.24Å; D240-T243 WeakPolarHBondContact CB-OG1 3.4Å; D240-T243 PolarHBondContact OD1-N 3.39Å; D240-T243 PolarHBondContact OD1-OG1 2.91Å; T243-T245 PolarHBondContact O-N 3.49Å; T243-T245 VanDerWaalsContact O-N 3.11Å; T243-T245 PolarHBondContact OG1-OG1 3.45Å |
| 244 | R | 94.6 | Very high | 95.2 | Very high | 179 Ų | 179 | 77.4 Ų | 77.4 | 68% | 0.675 | 41% | 0.406 | S | S | * | . | trans | 59.1 | 15 | -175.7 | -56 | -65.6 | -173.6 | 136.4 | 0.9 | 114.4 | D240 | D240-R244 VanDerWaalsContact O-CA 3.24Å; D240-R244 WeakPolarHBondContact O-CA 3.48Å; D240-R244 PolarHBondContact O-N 2.92Å | ||
| 245 | T | 96.5 | Very high | 95.5 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | trans | -74.6 | 146.7 | 174.9 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | S220 F239 D240 T243 L247 | S220-T245 PolarHBondContact OG-OG1 2.97Å; S220-T245 VanDerWaalsContact OG-OG1 3.07Å; F239-T245 CarbonylContact C-O 3.54Å; F239-T245 WeakPolarHBondContact CA-O 3.35Å; F239-T245 WeakPolarHBondContact CB-O 3.38Å; D240-T245 PolarHBondContact N-O 3.3Å; T243-T245 PolarHBondContact O-N 3.49Å; T243-T245 VanDerWaalsContact O-N 3.11Å; T243-T245 PolarHBondContact OG1-OG1 3.45Å; T245-L247 PolarHBondContact O-N 3.03Å | ||
| 246 | P | 97.7 | Very high | 96 | Very high | 115 Ų | 115 | 70.2 Ų | 70.2 | 75% | 0.747 | 38% | 0.382 | S | S | * | . | B | Isolated β-bridge | trans | -55 | 130.3 | 174.4 | -25.1 | 34.5 | 0 | 0 | 0 | 111.1 | ||
| 247 | L | 97.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | trans | -140 | 127.1 | -175.9 | -178.2 | 67.2 | 0 | 0 | 0 | 109.9 | T218 I229 L233 H238 D240 T245 Q251 L252 | T218-L247 HydrophobicContact CG2-CD1 4.06Å; T218-L247 HydrophobicContact CG2-CD2 3.58Å; I229-L247 HydrophobicContact CD1-CD2 4.09Å; I229-L247 HydrophobicContact CG1-CD2 4.32Å; L233-L247 HydrophobicContact CD1-CD2 4.44Å; L233-L247 HydrophobicContact CD1-CG 4.45Å; L233-L247 HydrophobicContact CD2-CB 4.18Å; L233-L247 HydrophobicContact CD2-CD2 4.12Å; L233-L247 HydrophobicContact CD2-CG 4.12Å; L233-L247 WeakPolarHBondContact CD2-O 3.31Å; H238-L247 CarbonylContact C-O 3.51Å; H238-L247 WeakPolarHBondContact CA-O 3.35Å; H238-L247 PolarHBondContact O-N 3.46Å; D240-L247 HydrophobicContact CB-CB 4.32Å; D240-L247 HydrophobicContact CB-CD2 4.03Å; T245-L247 PolarHBondContact O-N 3.03Å; L247-Q251 HydrophobicContact CD1-CB 4.03Å; L247-L252 HydrophobicContact CD1-CD2 4.42Å; L247-L252 HydrophobicContact CD2-CD2 4.26Å | ||
| 248 | S | 96.2 | Very high | 96.6 | Very high | 35 Ų | 35 | 69.5 Ų | 69.5 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | trans | -112 | 161.5 | 173.5 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | D250 Q251 | S248-D250 VanDerWaalsContact C-N 3.29Å; S248-D250 WeakPolarHBondContact CB-OD1 3.34Å; S248-D250 PolarHBondContact O-N 3.43Å; S248-D250 VanDerWaalsContact OG-CG 3.26Å; S248-D250 PolarHBondContact OG-OD1 2.98Å; S248-D250 PolarHBondContact OG-OD2 3.33Å; S248-Q251 WeakPolarHBondContact O-CB 3.39Å; S248-Q251 PolarHBondContact O-N 3.48Å; S248-Q251 WeakPolarHBondContact OG-CG 3.47Å; S248-Q251 PolarHBondContact OG-OE1 3.47Å | ||
| 249 | V | 96.3 | Very high | 96.7 | Very high | 75 Ų | 75 | 66.3 Ų | 66.3 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -65.3 | -34.1 | -174.5 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | L233 Q251 L252 | L233-V249 HydrophobicContact CB-CG2 4.4Å; L233-V249 HydrophobicContact CD1-CG2 3.86Å; V249-Q251 PolarHBondContact O-N 3.11Å; V249-L252 HydrophobicContact CG1-CD1 4.49Å; V249-L252 WeakPolarHBondContact O-CB 3.29Å; V249-L252 WeakPolarHBondContact O-CG 3.44Å; V249-L252 PolarHBondContact O-N 3.48Å |
| 250 | D | 96.8 | Very high | 96.7 | Very high | 137 Ų | 137 | 70.7 Ų | 70.7 | 73% | 0.733 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -66.9 | -18.2 | 177.3 | 56.4 | -67.9 | 0 | 0 | 0 | 113.6 | S248 L252 | S248-D250 VanDerWaalsContact C-N 3.29Å; S248-D250 WeakPolarHBondContact CB-OD1 3.34Å; S248-D250 PolarHBondContact O-N 3.43Å; S248-D250 VanDerWaalsContact OG-CG 3.26Å; S248-D250 PolarHBondContact OG-OD1 2.98Å; S248-D250 PolarHBondContact OG-OD2 3.33Å; D250-L252 VanDerWaalsContact C-N 3.32Å |
| 251 | Q | 97.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 74 Ų | 74 | 34% | 0.341 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -83.7 | -6.7 | 175.7 | -65.7 | 174.6 | -37.3 | 0 | 0 | 113.3 | P219 L247 S248 V249 I253 | P219-Q251 HydrophobicContact CG-CB 3.89Å; P219-Q251 HydrophobicContact CG-CG 4.41Å; L247-Q251 HydrophobicContact CD1-CB 4.03Å; S248-Q251 WeakPolarHBondContact O-CB 3.39Å; S248-Q251 PolarHBondContact O-N 3.48Å; S248-Q251 WeakPolarHBondContact OG-CG 3.47Å; S248-Q251 PolarHBondContact OG-OE1 3.47Å; V249-Q251 PolarHBondContact O-N 3.11Å; Q251-I253 PolarHBondContact O-N 3.36Å |
| 252 | L | 97.8 | Very high | 96.9 | Very high | 16 Ų | 16 | 72.6 Ų | 72.6 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | trans | -79.6 | 113.9 | 179.7 | -61 | 178 | 0 | 0 | 0 | 110.8 | V216 T218 I229 M230 L233 L247 V249 D250 | V216-L252 HydrophobicContact CB-CB 4.45Å; V216-L252 HydrophobicContact CG2-CD2 4.38Å; T218-L252 HydrophobicContact CG2-CD2 3.97Å; I229-L252 HydrophobicContact CG1-CD1 4.48Å; I229-L252 HydrophobicContact CG1-CD2 4.06Å; I229-L252 HydrophobicContact CG2-CD1 3.83Å; I229-L252 HydrophobicContact CG2-CD2 4.28Å; M230-L252 HydrophobicContact CG-CD1 4.3Å; L233-L252 HydrophobicContact CD1-CD1 4.04Å; L247-L252 HydrophobicContact CD1-CD2 4.42Å; L247-L252 HydrophobicContact CD2-CD2 4.26Å; V249-L252 HydrophobicContact CG1-CD1 4.49Å; V249-L252 WeakPolarHBondContact O-CB 3.29Å; V249-L252 WeakPolarHBondContact O-CG 3.44Å; V249-L252 PolarHBondContact O-N 3.48Å; D250-L252 VanDerWaalsContact C-N 3.32Å | ||
| 253 | I | 98 | Very high | 97 | Very high | 109 Ų | 109 | 71.8 Ų | 71.8 | 56% | 0.559 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.8 | 179.6 | -56.1 | 176 | 0 | 0 | 0 | 109.1 | V216 I217 Q251 N255 | V216-I253 CarbonylContact C-O 3.07Å; V216-I253 VanDerWaalsContact CA-O 3.27Å; V216-I253 WeakPolarHBondContact CA-O 2.99Å; I217-I253 HydrophobicContact CG2-CB 4.04Å; I217-I253 PolarHBondContact N-O 3.03Å; I217-I253 PolarHBondContact O-N 2.86Å; I217-I253 VanDerWaalsContact O-N 3.14Å; Q251-I253 PolarHBondContact O-N 3.36Å; I253-N255 PolarHBondContact O-N 3.28Å |
| 254 | P | 98.4 | Very high | 97 | Very high | 65 Ų | 65 | 74.6 Ų | 74.6 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 126.4 | 171.5 | -21 | 30.7 | 0 | 0 | 0 | 111.6 | L256 | P254-L256 HydrophobicContact CB-CD2 4.28Å; P254-L256 PolarHBondContact O-N 3.19Å |
| 255 | N | 97.6 | Very high | 96.9 | Very high | 24 Ų | 24 | 67.6 Ų | 67.6 | 13% | 0.128 | 37% | 0.371 | C | S | . | . | trans | -93.2 | 79.1 | 178.1 | -169 | -17 | 0 | 0 | 0 | 109.9 | P215 I217 T223 I253 A257 M258 K259 | P215-N255 HydrophobicContact CB-CB 4.35Å; P215-N255 PolarHBondContact O-N 3.02Å; I217-N255 HydrophobicContact CB-CB 4.19Å; I217-N255 HydrophobicContact CG2-CB 4.32Å; T223-N255 HydrophobicContact CG2-CB 4.25Å; T223-N255 PolarHBondContact OG1-ND2 3.47Å; I253-N255 PolarHBondContact O-N 3.28Å; N255-A257 VanDerWaalsContact C-N 3.28Å; N255-A257 PolarHBondContact O-N 3.38Å; N255-M258 HydrophobicContact CB-CB 4.19Å; N255-M258 WeakPolarHBondContact ND2-CG 3.2Å; N255-M258 PolarHBondContact O-N 3.33Å; N255-M258 PolarHBondContact OD1-N 3.35Å; N255-M258 VanDerWaalsContact OD1-N 3.12Å; N255-K259 PolarHBondContact O-N 2.88Å | ||
| 256 | L | 97.6 | Very high | 96.8 | Very high | 121 Ų | 121 | 66.8 Ų | 66.8 | 63% | 0.634 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.3 | -35.2 | -176.3 | -59.2 | -180 | 0 | 0 | 0 | 112.7 | P254 K259 E260 | P254-L256 HydrophobicContact CB-CD2 4.28Å; P254-L256 PolarHBondContact O-N 3.19Å; L256-K259 WeakPolarHBondContact O-CB 3.4Å; L256-K259 PolarHBondContact O-N 3.01Å; L256-K259 VanDerWaalsContact O-N 3.16Å; L256-E260 WeakPolarHBondContact O-CG 3.42Å; L256-E260 PolarHBondContact O-N 2.91Å |
| 257 | A | 97.3 | Very high | 96.5 | Very high | 61 Ų | 61 | 68.1 Ų | 68.1 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N255 K259 E260 V261 | N255-A257 VanDerWaalsContact C-N 3.28Å; N255-A257 PolarHBondContact O-N 3.38Å; A257-K259 VanDerWaalsContact C-N 3.28Å; A257-K259 PolarHBondContact O-N 3Å; A257-E260 PolarHBondContact O-N 3.23Å; A257-V261 WeakPolarHBondContact O-CG2 3.43Å; A257-V261 PolarHBondContact O-N 3.49Å; A257-V261 VanDerWaalsContact O-N 3.07Å |
| 258 | M | 96.8 | Very high | 96.1 | Very high | 39 Ų | 39 | 73.8 Ų | 73.8 | 19% | 0.192 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.6 | -33.6 | 174 | -77.3 | -60.9 | -61.1 | 0 | 0 | 112.2 | Y202 L203 M212 P215 T223 N255 V261 I262 | Y202-M258 WeakPolarHBondContact O-CE 3.36Å; L203-M258 HydrophobicContact CD2-CE 4.17Å; M212-M258 HydrophobicContact CE-CE 3.96Å; P215-M258 HydrophobicContact CB-CB 4.09Å; P215-M258 HydrophobicContact CG-CB 4.08Å; T223-M258 HydrophobicContact CG2-CG 4.36Å; N255-M258 HydrophobicContact CB-CB 4.19Å; N255-M258 WeakPolarHBondContact ND2-CG 3.2Å; N255-M258 PolarHBondContact O-N 3.33Å; N255-M258 PolarHBondContact OD1-N 3.35Å; N255-M258 VanDerWaalsContact OD1-N 3.12Å; M258-V261 PolarHBondContact O-N 2.86Å; M258-I262 WeakPolarHBondContact O-CB 3.49Å; M258-I262 WeakPolarHBondContact O-CD1 3.42Å; M258-I262 WeakPolarHBondContact O-CG1 3.42Å; M258-I262 PolarHBondContact O-N 3.49Å |
| 259 | K | 97.5 | Very high | 95.8 | Very high | 67 Ų | 67 | 74.1 Ų | 74.1 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 175.4 | -178.5 | 54.5 | 175.9 | 159.4 | 0 | 111.3 | R213 P215 N255 L256 A257 V261 I262 D263 | R213-K259 PolarHBondContact O-NZ 3.12Å; R213-K259 VanDerWaalsContact O-NZ 3.12Å; P215-K259 HydrophobicContact CG-CB 3.84Å; N255-K259 PolarHBondContact O-N 2.88Å; L256-K259 WeakPolarHBondContact O-CB 3.4Å; L256-K259 PolarHBondContact O-N 3.01Å; L256-K259 VanDerWaalsContact O-N 3.16Å; A257-K259 VanDerWaalsContact C-N 3.28Å; A257-K259 PolarHBondContact O-N 3Å; K259-V261 PolarHBondContact O-N 3.26Å; K259-I262 PolarHBondContact O-N 3.14Å; K259-D263 WeakPolarHBondContact CD-OD2 3.36Å; K259-D263 WeakPolarHBondContact CE-OD1 3.38Å; K259-D263 WeakPolarHBondContact CE-OD2 3.45Å; K259-D263 IonicContact NZ-OD1 3.33Å; K259-D263 PolarHBondContact NZ-OD1 3.24Å; K259-D263 IonicContact NZ-OD2 3.92Å; K259-D263 PolarHBondContact NZ-OD2 3.38Å; K259-D263 WeakPolarHBondContact O-CB 3.45Å; K259-D263 PolarHBondContact O-N 2.91Å |
| 260 | E | 97.5 | Very high | 95.3 | Very high | 140 Ų | 140 | 74.4 Ų | 74.4 | 65% | 0.654 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 174.8 | -72 | 173.8 | -176.9 | 0 | 0 | 112.1 | L256 A257 I262 D263 H264 | L256-E260 WeakPolarHBondContact O-CG 3.42Å; L256-E260 PolarHBondContact O-N 2.91Å; A257-E260 PolarHBondContact O-N 3.23Å; E260-I262 PolarHBondContact O-N 3.13Å; E260-D263 PolarHBondContact O-N 3.24Å; E260-H264 VanDerWaalsContact O-CB 3.29Å; E260-H264 WeakPolarHBondContact O-CB 3.49Å; E260-H264 PolarHBondContact O-N 2.99Å |
| 261 | V | 96.8 | Very high | 94.6 | Very high | 71 Ų | 71 | 69.4 Ų | 69.4 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 177.2 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L203 A257 M258 K259 Y265 | L203-V261 HydrophobicContact CD2-CG1 3.75Å; A257-V261 WeakPolarHBondContact O-CG2 3.43Å; A257-V261 PolarHBondContact O-N 3.49Å; A257-V261 VanDerWaalsContact O-N 3.07Å; M258-V261 PolarHBondContact O-N 2.86Å; K259-V261 PolarHBondContact O-N 3.26Å; V261-Y265 VanDerWaalsContact O-CB 3.31Å; V261-Y265 WeakPolarHBondContact O-CB 3.5Å; V261-Y265 PolarHBondContact O-N 3.45Å |
| 262 | I | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 178.5 | -70.1 | 166.2 | 0 | 0 | 0 | 110.9 | L203 L211 M212 P215 M258 K259 E260 Y265 I266 | L203-I262 HydrophobicContact CB-CG1 4.44Å; L203-I262 HydrophobicContact CD2-CG1 3.94Å; L211-I262 HydrophobicContact CD1-CG2 4.24Å; L211-I262 HydrophobicContact CG-CG2 4.29Å; M212-I262 HydrophobicContact CB-CD1 3.83Å; M212-I262 HydrophobicContact CE-CD1 4.2Å; P215-I262 HydrophobicContact CB-CD1 4.46Å; P215-I262 HydrophobicContact CG-CD1 4.19Å; M258-I262 WeakPolarHBondContact O-CB 3.49Å; M258-I262 WeakPolarHBondContact O-CD1 3.42Å; M258-I262 WeakPolarHBondContact O-CG1 3.42Å; M258-I262 PolarHBondContact O-N 3.49Å; K259-I262 PolarHBondContact O-N 3.14Å; E260-I262 PolarHBondContact O-N 3.13Å; I262-Y265 WeakPolarHBondContact O-CB 3.47Å; I262-Y265 PolarHBondContact O-N 2.9Å; I262-I266 HydrophobicContact CG2-CD1 3.69Å; I262-I266 HydrophobicContact CG2-CG1 4.35Å; I262-I266 VanDerWaalsContact O-CG1 3.29Å; I262-I266 WeakPolarHBondContact O-CG1 3.45Å; I262-I266 PolarHBondContact O-N 3.45Å |
| 263 | D | 95.8 | Very high | 93.4 | Very high | 68 Ų | 68 | 69 Ų | 69 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | -179.3 | -69.9 | -18.7 | 0 | 0 | 0 | 111 | K259 E260 I266 Q267 | K259-D263 WeakPolarHBondContact CD-OD2 3.36Å; K259-D263 WeakPolarHBondContact CE-OD1 3.38Å; K259-D263 WeakPolarHBondContact CE-OD2 3.45Å; K259-D263 IonicContact NZ-OD1 3.33Å; K259-D263 PolarHBondContact NZ-OD1 3.24Å; K259-D263 IonicContact NZ-OD2 3.92Å; K259-D263 PolarHBondContact NZ-OD2 3.38Å; K259-D263 WeakPolarHBondContact O-CB 3.45Å; K259-D263 PolarHBondContact O-N 2.91Å; E260-D263 PolarHBondContact O-N 3.24Å; D263-I266 PolarHBondContact O-N 2.89Å; D263-Q267 WeakPolarHBondContact O-CB 3.48Å; D263-Q267 PolarHBondContact O-N 3.49Å |
| 264 | H | 95.9 | Very high | 92.2 | Very high | 115 Ų | 115 | 69.5 Ų | 69.5 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 171.8 | -177 | -75.9 | 0 | 0 | 0 | 111.6 | E260 I266 Q267 E268 | E260-H264 VanDerWaalsContact O-CB 3.29Å; E260-H264 WeakPolarHBondContact O-CB 3.49Å; E260-H264 PolarHBondContact O-N 2.99Å; H264-I266 PolarHBondContact O-N 3.06Å; H264-Q267 WeakPolarHBondContact O-CB 3.27Å; H264-Q267 PolarHBondContact O-N 3.28Å; H264-E268 PolarHBondContact O-N 3.5Å; H264-E268 VanDerWaalsContact O-N 3.09Å |
| 265 | Y | 94.1 | Very high | 91 | Very high | 32 Ų | 32 | 69.3 Ų | 69.3 | 13% | 0.125 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61 | -43.5 | 176.6 | -179.9 | -95.1 | 0 | 0 | 0 | 111.8 | D198 P200 L203 V261 I262 Q267 E268 N269 W271 A272 | D198-Y265 PolarHBondContact O-OH 3.05Å; P200-Y265 VanDerWaalsContact CD-OH 3.29Å; P200-Y265 WeakPolarHBondContact CD-OH 3.48Å; P200-Y265 HydrophobicContact CG-CE2 4.08Å; L203-Y265 HydrophobicContact CD1-CD1 3.55Å; L203-Y265 HydrophobicContact CD1-CD2 3.66Å; L203-Y265 HydrophobicContact CD1-CE1 3.96Å; L203-Y265 HydrophobicContact CD1-CE2 4.06Å; L203-Y265 HydrophobicContact CD1-CG 3.39Å; V261-Y265 VanDerWaalsContact O-CB 3.31Å; V261-Y265 WeakPolarHBondContact O-CB 3.5Å; V261-Y265 PolarHBondContact O-N 3.45Å; I262-Y265 WeakPolarHBondContact O-CB 3.47Å; I262-Y265 PolarHBondContact O-N 2.9Å; Y265-Q267 VanDerWaalsContact C-N 3.34Å; Y265-E268 PolarHBondContact O-N 3.5Å; Y265-N269 HydrophobicContact CD1-CB 4.48Å; Y265-N269 HydrophobicContact CE1-CB 4.15Å; Y265-N269 WeakPolarHBondContact O-CA 3.44Å; Y265-N269 WeakPolarHBondContact O-CB 3.48Å; Y265-N269 PolarHBondContact O-N 3.12Å; Y265-N269 PolarHBondContact O-ND2 3.35Å; Y265-N269 VanDerWaalsContact O-ND2 3.09Å; Y265-W271 VanDerWaalsContact OH-CH2 3.31Å; Y265-W271 WeakPolarHBondContact OH-CH2 3.48Å; Y265-A272 HydrophobicContact CD1-CB 4.33Å; Y265-A272 HydrophobicContact CE1-CB 3.74Å |
| 266 | I | 92.7 | Very high | 90.7 | Very high | 34 Ų | 34 | 71.6 Ų | 71.6 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 176.3 | -70 | 164 | 0 | 0 | 0 | 111.1 | L211 I262 D263 H264 N269 P270 L273 | L211-I266 HydrophobicContact CD2-CD1 3.93Å; L211-I266 HydrophobicContact CD2-CG1 3.87Å; I262-I266 HydrophobicContact CG2-CD1 3.69Å; I262-I266 HydrophobicContact CG2-CG1 4.35Å; I262-I266 VanDerWaalsContact O-CG1 3.29Å; I262-I266 WeakPolarHBondContact O-CG1 3.45Å; I262-I266 PolarHBondContact O-N 3.45Å; D263-I266 PolarHBondContact O-N 2.89Å; H264-I266 PolarHBondContact O-N 3.06Å; I266-N269 CarbonylContact O-C 3.44Å; I266-N269 PolarHBondContact O-N 3.25Å; I266-P270 WeakPolarHBondContact O-CA 3.3Å; I266-L273 HydrophobicContact CD1-CD2 4.02Å; I266-L273 HydrophobicContact CG1-CD2 4.3Å; I266-L273 HydrophobicContact CG2-CD1 3.82Å; I266-L273 HydrophobicContact CG2-CD2 3.98Å; I266-L273 HydrophobicContact CG2-CG 3.83Å |
| 267 | Q | 92.5 | Very high | 90.3 | Very high | 143 Ų | 143 | 68.9 Ų | 68.9 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 177.5 | -177.9 | 177.1 | -4.7 | 0 | 0 | 111.8 | D263 H264 Y265 N269 | D263-Q267 WeakPolarHBondContact O-CB 3.48Å; D263-Q267 PolarHBondContact O-N 3.49Å; H264-Q267 WeakPolarHBondContact O-CB 3.27Å; H264-Q267 PolarHBondContact O-N 3.28Å; Y265-Q267 VanDerWaalsContact C-N 3.34Å; Q267-N269 VanDerWaalsContact C-N 3.35Å |
| 268 | E | 90 | Very high | 89.9 | Confident | 124 Ų | 124 | 69.4 Ų | 69.4 | 58% | 0.579 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -74.8 | -26.2 | 176.3 | -68.1 | -62.2 | 123 | 0 | 0 | 112.6 | H264 Y265 | H264-E268 PolarHBondContact O-N 3.5Å; H264-E268 VanDerWaalsContact O-N 3.09Å; Y265-E268 PolarHBondContact O-N 3.5Å |
| 269 | N | 88.5 | Confident | 89.5 | Confident | 42 Ų | 42 | 71.2 Ų | 71.2 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | trans | -131 | 68.9 | -175.4 | -59.7 | -83.3 | 0 | 0 | 0 | 112 | Y265 I266 Q267 W271 A272 | Y265-N269 HydrophobicContact CD1-CB 4.48Å; Y265-N269 HydrophobicContact CE1-CB 4.15Å; Y265-N269 WeakPolarHBondContact O-CA 3.44Å; Y265-N269 WeakPolarHBondContact O-CB 3.48Å; Y265-N269 PolarHBondContact O-N 3.12Å; Y265-N269 PolarHBondContact O-ND2 3.35Å; Y265-N269 VanDerWaalsContact O-ND2 3.09Å; I266-N269 CarbonylContact O-C 3.44Å; I266-N269 PolarHBondContact O-N 3.25Å; Q267-N269 VanDerWaalsContact C-N 3.35Å; N269-W271 HydrophobicContact CB-CD2 4.43Å; N269-W271 HydrophobicContact CB-CZ2 3.89Å; N269-W271 PolarHBondContact O-N 3.27Å; N269-W271 PolarHBondContact OD1-NE1 3.47Å; N269-W271 VanDerWaalsContact OD1-NE1 3.17Å; N269-A272 HydrophobicContact CB-CB 4.46Å; N269-A272 VanDerWaalsContact O-CB 3.28Å; N269-A272 WeakPolarHBondContact O-CB 3.38Å; N269-A272 PolarHBondContact O-N 3.11Å | ||
| 270 | P | 85.6 | Confident | 89 | Confident | 82 Ų | 82 | 71.4 Ų | 71.4 | 53% | 0.532 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -57.7 | -27.8 | -177.1 | -27.4 | 35.7 | 0 | 0 | 0 | 113.9 | I266 A272 L273 | I266-P270 WeakPolarHBondContact O-CA 3.3Å; P270-A272 PolarHBondContact O-N 2.74Å; P270-L273 PolarHBondContact O-N 2.83Å |
| 271 | W | 83.8 | Confident | 88.5 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 12% | 0.117 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -59.5 | -23.1 | 176.1 | 60.6 | -98.7 | 0 | 0 | 0 | 113.6 | F124 R197 I199 Y265 N269 L273 D274 F275 | F124-W271 HydrophobicContact CE2-CE3 4.05Å; F124-W271 HydrophobicContact CZ-CD2 4.3Å; F124-W271 AromaticContact CZ-CE3 3.64Å; F124-W271 HydrophobicContact CZ-CE3 3.64Å; F124-W271 HydrophobicContact CZ-CZ3 4.19Å; R197-W271 HydrophobicContact CB-CD2 4.11Å; R197-W271 HydrophobicContact CB-CE3 4.03Å; R197-W271 HydrophobicContact CB-CH2 3.73Å; R197-W271 HydrophobicContact CB-CZ2 3.76Å; R197-W271 HydrophobicContact CB-CZ3 3.86Å; R197-W271 HydrophobicContact CG-CD2 4.1Å; R197-W271 HydrophobicContact CG-CH2 4.33Å; R197-W271 HydrophobicContact CG-CZ2 3.83Å; I199-W271 HydrophobicContact CG1-CH2 4.43Å; I199-W271 HydrophobicContact CG1-CZ3 4.12Å; Y265-W271 VanDerWaalsContact OH-CH2 3.31Å; Y265-W271 WeakPolarHBondContact OH-CH2 3.48Å; N269-W271 HydrophobicContact CB-CD2 4.43Å; N269-W271 HydrophobicContact CB-CZ2 3.89Å; N269-W271 PolarHBondContact O-N 3.27Å; N269-W271 PolarHBondContact OD1-NE1 3.47Å; N269-W271 VanDerWaalsContact OD1-NE1 3.17Å; W271-L273 PolarHBondContact O-N 3.48Å; W271-D274 PolarHBondContact O-N 3.06Å; W271-F275 HydrophobicContact CZ3-CD2 4.34Å |
| 272 | A | 86.6 | Confident | 87.9 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -66.8 | -17.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | I199 L211 Y265 N269 P270 D274 | I199-A272 HydrophobicContact CD1-CB 4.17Å; I199-A272 HydrophobicContact CG1-CB 4.37Å; L211-A272 HydrophobicContact CD2-CB 4.37Å; Y265-A272 HydrophobicContact CD1-CB 4.33Å; Y265-A272 HydrophobicContact CE1-CB 3.74Å; N269-A272 HydrophobicContact CB-CB 4.46Å; N269-A272 VanDerWaalsContact O-CB 3.28Å; N269-A272 WeakPolarHBondContact O-CB 3.38Å; N269-A272 PolarHBondContact O-N 3.11Å; P270-A272 PolarHBondContact O-N 2.74Å; A272-D274 VanDerWaalsContact C-N 3.31Å |
| 273 | L | 81.6 | Confident | 87.2 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 41% | 0.414 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -72 | -26.1 | 175.5 | -68.9 | 173.1 | 0 | 0 | 0 | 113.2 | I266 P270 W271 | I266-L273 HydrophobicContact CD1-CD2 4.02Å; I266-L273 HydrophobicContact CG1-CD2 4.3Å; I266-L273 HydrophobicContact CG2-CD1 3.82Å; I266-L273 HydrophobicContact CG2-CD2 3.98Å; I266-L273 HydrophobicContact CG2-CG 3.83Å; P270-L273 PolarHBondContact O-N 2.83Å; W271-L273 PolarHBondContact O-N 3.48Å |
| 274 | D | 73.9 | Confident | 86.5 | Confident | 119 Ų | 119 | 72 Ų | 72 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | trans | -100.1 | -2.3 | -174.9 | -65.1 | -40.2 | 0 | 0 | 0 | 113.6 | R123 W271 A272 | R123-D274 PolarHBondContact NH2-O 3.35Å; W271-D274 PolarHBondContact O-N 3.06Å; A272-D274 VanDerWaalsContact C-N 3.31Å | ||
| 275 | F | 73 | Confident | 85.7 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | trans | -66.9 | 0 | 178.2 | -166.9 | -91.9 | 0 | 0 | 0 | 111.5 | R120 F124 I199 W271 | R120-F275 WeakPolarHBondContact CB-O 3.45Å; R120-F275 WeakPolarHBondContact CD-O 3.28Å; F124-F275 AromaticContact CD1-CD2 3.93Å; F124-F275 HydrophobicContact CD1-CD2 3.93Å; F124-F275 AromaticContact CD1-CE2 3.93Å; F124-F275 HydrophobicContact CD1-CE2 3.93Å; F124-F275 HydrophobicContact CD2-CD2 4.13Å; F124-F275 HydrophobicContact CE1-CD2 4.14Å; F124-F275 HydrophobicContact CE1-CE2 4.25Å; F124-F275 HydrophobicContact CE2-CD2 4.34Å; F124-F275 AromaticContact CG-CD2 3.93Å; F124-F275 HydrophobicContact CG-CD2 3.93Å; F124-F275 HydrophobicContact CG-CE2 4.27Å; F124-F275 HydrophobicContact CZ-CD2 4.34Å; I199-F275 HydrophobicContact CD1-CB 3.71Å; I199-F275 HydrophobicContact CD1-CD1 3.68Å; I199-F275 HydrophobicContact CD1-CE1 4.44Å; I199-F275 HydrophobicContact CD1-CG 3.76Å; I199-F275 HydrophobicContact CG1-CB 4.44Å; I199-F275 HydrophobicContact CG1-CD1 4.13Å; I199-F275 HydrophobicContact CG1-CE1 4.5Å; I199-F275 HydrophobicContact CG1-CG 4.12Å; W271-F275 HydrophobicContact CZ3-CD2 4.34Å |
Retrieved 275 of 275 residues in 1676.3 ms
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