| 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 | 42.3 | Very low | 66.1 | Low | 209 Ų | 209 | 82.5 Ų | 82.5 | 100% | 1.03 | 45% | 0.454 | S | S | * | . | 0 | -45.6 | 0 | -71.7 | -162.3 | -175.2 | 0 | 0 | 112.4 | D3 N4 | M1-D3 PolarHBondContact O-N 2.92Å; M1-N4 PolarHBondContact O-N 3.11Å | |||
| 2 | G | 51.6 | Low | 67.7 | Low | 47 Ų | 47 | 76.9 Ų | 76.9 | 49% | 0.485 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.9 | -37.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | N4 L5 C6 | G2-N4 PolarHBondContact O-N 3.26Å; G2-L5 PolarHBondContact O-N 3.47Å; G2-C6 PolarHBondContact O-N 3.1Å; G2-C6 PolarHBondContact O-SG 3.45Å; G2-C6 VanDerWaalsContact O-SG 3.4Å |
| 3 | D | 54.4 | Low | 69 | Low | 131 Ų | 131 | 78.5 Ų | 78.5 | 70% | 0.701 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | -179.5 | -71.7 | -17.7 | 0 | 0 | 0 | 113.1 | M1 C6 N7 | M1-D3 PolarHBondContact O-N 2.92Å; D3-C6 PolarHBondContact O-N 3.32Å; D3-N7 WeakPolarHBondContact O-CB 3.39Å; D3-N7 PolarHBondContact O-N 2.69Å; D3-N7 PolarHBondContact O-ND2 3.34Å |
| 4 | N | 58.6 | Low | 70.5 | Confident | 68 Ų | 68 | 76.9 Ų | 76.9 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 178.1 | -78.6 | 4.2 | 0 | 0 | 0 | 111.2 | M1 G2 N7 I8 Y33 N37 | M1-N4 PolarHBondContact O-N 3.11Å; G2-N4 PolarHBondContact O-N 3.26Å; N4-N7 PolarHBondContact O-N 2.97Å; N4-I8 PolarHBondContact O-N 2.9Å; N4-Y33 HydrophobicContact CB-CE2 3.87Å; N4-Y33 WeakPolarHBondContact O-CE2 3.41Å; N4-N37 PolarHBondContact ND2-OD1 2.88Å |
| 5 | L | 59.5 | Low | 71.7 | Confident | 73 Ų | 73 | 72.3 Ų | 72.3 | 38% | 0.382 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.6 | -108 | 148.1 | 0 | 0 | 0 | 112.6 | G2 N7 I8 A9 I44 | G2-L5 PolarHBondContact O-N 3.47Å; L5-N7 VanDerWaalsContact C-N 3.32Å; L5-N7 PolarHBondContact O-N 2.84Å; L5-I8 VanDerWaalsContact O-CG2 3.31Å; L5-I8 WeakPolarHBondContact O-CG2 3.4Å; L5-A9 PolarHBondContact O-N 3.02Å; L5-I44 HydrophobicContact CD1-CD1 4.11Å; L5-I44 HydrophobicContact CD2-CD1 3.48Å; L5-I44 VanDerWaalsContact CD2-CD1 3.48Å; L5-I44 HydrophobicContact CD2-CG1 3.9Å; L5-I44 HydrophobicContact CG-CD1 3.8Å |
| 6 | C | 63.5 | Low | 72.7 | Confident | 89 Ų | 89 | 73.8 Ų | 73.8 | 60% | 0.601 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 176 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | G2 D3 R10 | G2-C6 PolarHBondContact O-N 3.1Å; G2-C6 PolarHBondContact O-SG 3.45Å; G2-C6 VanDerWaalsContact O-SG 3.4Å; D3-C6 PolarHBondContact O-N 3.32Å; C6-R10 PolarHBondContact O-N 2.88Å; C6-R10 VanDerWaalsContact O-N 3.16Å |
| 7 | N | 71.9 | Confident | 73.8 | Confident | 59 Ų | 59 | 73 Ų | 73 | 32% | 0.316 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 178.9 | -78.1 | -34.9 | 0 | 0 | 0 | 112.2 | D3 N4 L5 R10 Y11 | D3-N7 WeakPolarHBondContact O-CB 3.39Å; D3-N7 PolarHBondContact O-N 2.69Å; D3-N7 PolarHBondContact O-ND2 3.34Å; N4-N7 PolarHBondContact O-N 2.97Å; L5-N7 VanDerWaalsContact C-N 3.32Å; L5-N7 PolarHBondContact O-N 2.84Å; N7-R10 PolarHBondContact O-N 2.93Å; N7-Y11 HydrophobicContact CB-CE2 4Å; N7-Y11 WeakPolarHBondContact O-CD2 3.3Å; N7-Y11 WeakPolarHBondContact O-CE2 3.43Å; N7-Y11 PolarHBondContact O-N 3.07Å |
| 8 | I | 77.5 | Confident | 74.5 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.021 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.4 | -42 | 179.3 | -168.9 | 149.8 | 0 | 0 | 0 | 112.1 | N4 L5 R10 Y11 I12 Y33 I44 V48 | N4-I8 PolarHBondContact O-N 2.9Å; L5-I8 VanDerWaalsContact O-CG2 3.31Å; L5-I8 WeakPolarHBondContact O-CG2 3.4Å; I8-R10 VanDerWaalsContact C-N 3.27Å; I8-R10 PolarHBondContact O-N 3.34Å; I8-Y11 PolarHBondContact O-N 3.35Å; I8-I12 HydrophobicContact CG1-CD1 4.19Å; I8-I12 HydrophobicContact CG1-CG1 4.31Å; I8-I12 VanDerWaalsContact O-CG1 3.25Å; I8-I12 WeakPolarHBondContact O-CG1 3.38Å; I8-I12 PolarHBondContact O-N 2.86Å; I8-Y33 HydrophobicContact CB-CD2 4.25Å; I8-Y33 HydrophobicContact CB-CE1 4.43Å; I8-Y33 HydrophobicContact CB-CE2 4.08Å; I8-Y33 HydrophobicContact CB-CG 4.47Å; I8-Y33 HydrophobicContact CD1-CD1 3.3Å; I8-Y33 HydrophobicContact CD1-CD2 4.41Å; I8-Y33 HydrophobicContact CD1-CE1 3.46Å; I8-Y33 VanDerWaalsContact CD1-CE1 3.46Å; I8-Y33 HydrophobicContact CD1-CG 3.83Å; I8-Y33 HydrophobicContact CG1-CD1 4.43Å; I8-Y33 HydrophobicContact CG2-CE2 4.45Å; I8-I44 HydrophobicContact CG2-CG2 4.47Å; I8-V48 HydrophobicContact CD1-CG2 4.15Å; I8-V48 HydrophobicContact CG1-CG2 4.28Å |
| 9 | A | 78.4 | Confident | 75.4 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.7 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L5 I12 T13 | L5-A9 PolarHBondContact O-N 3.02Å; A9-I12 PolarHBondContact O-N 2.85Å; A9-T13 PolarHBondContact O-N 3.31Å; A9-T13 VanDerWaalsContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 2.96Å; A9-T13 VanDerWaalsContact O-OG1 3.1Å |
| 10 | R | 83.7 | Confident | 76.2 | Confident | 134 Ų | 134 | 80.8 Ų | 80.8 | 51% | 0.506 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 174.1 | -175.5 | -178.8 | 67.3 | 129 | -3.8 | 112.3 | C6 N7 I8 I12 T13 L14 | C6-R10 PolarHBondContact O-N 2.88Å; C6-R10 VanDerWaalsContact O-N 3.16Å; N7-R10 PolarHBondContact O-N 2.93Å; I8-R10 VanDerWaalsContact C-N 3.27Å; I8-R10 PolarHBondContact O-N 3.34Å; R10-I12 VanDerWaalsContact C-N 3.32Å; R10-I12 PolarHBondContact O-N 3.26Å; R10-T13 PolarHBondContact O-N 2.66Å; R10-L14 HydrophobicContact CG-CD1 4.34Å; R10-L14 WeakPolarHBondContact O-CG 3.3Å; R10-L14 PolarHBondContact O-N 3.48Å |
| 11 | Y | 86.3 | Confident | 77 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 17% | 0.169 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 178 | -58.1 | -38.8 | 0 | 0 | 0 | 111.9 | N7 I8 T13 L14 L15 | N7-Y11 HydrophobicContact CB-CE2 4Å; N7-Y11 WeakPolarHBondContact O-CD2 3.3Å; N7-Y11 WeakPolarHBondContact O-CE2 3.43Å; N7-Y11 PolarHBondContact O-N 3.07Å; I8-Y11 PolarHBondContact O-N 3.35Å; Y11-T13 PolarHBondContact O-N 2.88Å; Y11-L14 PolarHBondContact O-N 3.33Å; Y11-L15 PolarHBondContact O-N 2.9Å |
| 12 | I | 84.2 | Confident | 79.4 | Confident | 15 Ų | 15 | 75 Ų | 75 | 8% | 0.077 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 176.2 | -65.2 | 165.3 | 0 | 0 | 0 | 111.1 | I8 A9 R10 L14 L15 V48 N51 | I8-I12 HydrophobicContact CG1-CD1 4.19Å; I8-I12 HydrophobicContact CG1-CG1 4.31Å; I8-I12 VanDerWaalsContact O-CG1 3.25Å; I8-I12 WeakPolarHBondContact O-CG1 3.38Å; I8-I12 PolarHBondContact O-N 2.86Å; A9-I12 PolarHBondContact O-N 2.85Å; R10-I12 VanDerWaalsContact C-N 3.32Å; R10-I12 PolarHBondContact O-N 3.26Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 2.87Å; I12-L15 VanDerWaalsContact O-CB 3.26Å; I12-L15 WeakPolarHBondContact O-CB 3.4Å; I12-L15 WeakPolarHBondContact O-CG 3.1Å; I12-L15 PolarHBondContact O-N 3.3Å; I12-L15 VanDerWaalsContact O-N 3.13Å; I12-V48 HydrophobicContact CD1-CB 4.23Å; I12-V48 HydrophobicContact CD1-CG2 3.38Å; I12-V48 HydrophobicContact CG1-CG2 4.19Å; I12-N51 HydrophobicContact CG2-CB 3.54Å; I12-N51 VanDerWaalsContact CG2-ND2 3.25Å; I12-N51 WeakPolarHBondContact CG2-ND2 3.32Å |
| 13 | T | 85.3 | Confident | 81.4 | Confident | 98 Ų | 98 | 74 Ų | 74 | 60% | 0.601 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 177.4 | -46.9 | 0 | 0 | 0 | 0 | 111.6 | A9 R10 Y11 L15 T16 | A9-T13 PolarHBondContact O-N 3.31Å; A9-T13 VanDerWaalsContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 2.96Å; A9-T13 VanDerWaalsContact O-OG1 3.1Å; R10-T13 PolarHBondContact O-N 2.66Å; Y11-T13 PolarHBondContact O-N 2.88Å; T13-L15 PolarHBondContact O-N 2.96Å; T13-T16 PolarHBondContact O-N 2.87Å; T13-T16 VanDerWaalsContact O-N 3.17Å; T13-T16 PolarHBondContact O-OG1 3.16Å |
| 14 | L | 90.2 | Very high | 83.3 | Confident | 56 Ų | 56 | 71.2 Ų | 71.2 | 29% | 0.293 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.9 | -11.5 | 178.5 | -66.1 | 171.1 | 0 | 0 | 0 | 113.9 | R10 Y11 I12 T16 D17 V22 A26 | R10-L14 HydrophobicContact CG-CD1 4.34Å; R10-L14 WeakPolarHBondContact O-CG 3.3Å; R10-L14 PolarHBondContact O-N 3.48Å; Y11-L14 PolarHBondContact O-N 3.33Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 2.87Å; L14-T16 PolarHBondContact O-N 3.41Å; L14-D17 WeakPolarHBondContact O-CB 3.39Å; L14-D17 PolarHBondContact O-N 3.06Å; L14-V22 HydrophobicContact CB-CG1 4.26Å; L14-V22 HydrophobicContact CD2-CG1 3.91Å; L14-A26 HydrophobicContact CB-CB 3.7Å |
| 15 | L | 88.5 | Confident | 84.9 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 4% | 0.037 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -18.9 | 172.1 | -62 | 176.5 | 0 | 0 | 0 | 112.7 | Y11 I12 T13 R23 A26 L27 N51 L52 T55 | Y11-L15 PolarHBondContact O-N 2.9Å; I12-L15 VanDerWaalsContact O-CB 3.26Å; I12-L15 WeakPolarHBondContact O-CB 3.4Å; I12-L15 WeakPolarHBondContact O-CG 3.1Å; I12-L15 PolarHBondContact O-N 3.3Å; I12-L15 VanDerWaalsContact O-N 3.13Å; T13-L15 PolarHBondContact O-N 2.96Å; L15-R23 WeakPolarHBondContact O-CD 3.48Å; L15-A26 HydrophobicContact CD2-CB 3.87Å; L15-L27 HydrophobicContact CD2-CB 4.47Å; L15-L27 HydrophobicContact CD2-CD2 3.69Å; L15-L27 HydrophobicContact CD2-CG 3.69Å; L15-N51 HydrophobicContact CD1-CB 4.36Å; L15-L52 HydrophobicContact CD1-CD2 3.82Å; L15-L52 HydrophobicContact CD1-CG 4.46Å; L15-T55 HydrophobicContact CB-CG2 3.82Å; L15-T55 HydrophobicContact CD1-CG2 4.09Å; L15-T55 HydrophobicContact CD2-CG2 4.18Å; L15-T55 HydrophobicContact CG-CG2 4.25Å |
| 16 | T | 87.2 | Confident | 86.5 | Confident | 97 Ų | 97 | 71.9 Ų | 71.9 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 8.3 | 179.7 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | T13 L14 | T13-T16 PolarHBondContact O-N 2.87Å; T13-T16 VanDerWaalsContact O-N 3.17Å; T13-T16 PolarHBondContact O-OG1 3.16Å; L14-T16 PolarHBondContact O-N 3.41Å |
| 17 | D | 91.6 | Very high | 87.9 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 32% | 0.321 | 33% | 0.331 | S | S | . | . | trans | -65.7 | 147.6 | 178.8 | -163.6 | -80.8 | 0 | 0 | 0 | 111.9 | L14 D19 V22 R23 | L14-D17 WeakPolarHBondContact O-CB 3.39Å; L14-D17 PolarHBondContact O-N 3.06Å; D17-D19 VanDerWaalsContact C-N 3.31Å; D17-D19 PolarHBondContact O-N 3.18Å; D17-D19 WeakPolarHBondContact OD1-CB 3.45Å; D17-D19 PolarHBondContact OD1-N 3.3Å; D17-V22 HydrophobicContact CB-CB 4.13Å; D17-V22 HydrophobicContact CB-CG1 3.74Å; D17-R23 HydrophobicContact CB-CG 4.26Å; D17-R23 WeakPolarHBondContact O-CD 3.26Å; D17-R23 VanDerWaalsContact O-CG 3.24Å; D17-R23 WeakPolarHBondContact O-CG 3.25Å; D17-R23 PolarHBondContact O-NH1 3.35Å | ||
| 18 | E | 86.3 | Confident | 88.9 | Confident | 178 Ų | 178 | 69.6 Ų | 69.6 | 83% | 0.832 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -66.4 | -32.2 | 178.5 | -67.3 | -65.8 | 160 | 0 | 0 | 112.3 | R20 R23 | E18-R20 PolarHBondContact O-N 2.84Å; E18-R23 VanDerWaalsContact C-NH1 3.29Å; E18-R23 PolarHBondContact O-NH1 3.34Å |
| 19 | D | 92.2 | Very high | 89.6 | Confident | 69 Ų | 69 | 70.7 Ų | 70.7 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | trans | -78.2 | 117.8 | 179.3 | -176.2 | 3.3 | 0 | 0 | 0 | 111.8 | D17 F21 V22 R23 | D17-D19 VanDerWaalsContact C-N 3.31Å; D17-D19 PolarHBondContact O-N 3.18Å; D17-D19 WeakPolarHBondContact OD1-CB 3.45Å; D17-D19 PolarHBondContact OD1-N 3.3Å; D19-F21 PolarHBondContact O-N 2.9Å; D19-F21 VanDerWaalsContact O-N 3.13Å; D19-F21 WeakPolarHBondContact OD1-CD2 3.31Å; D19-F21 PolarHBondContact OD1-N 2.96Å; D19-V22 HydrophobicContact CB-CB 4.14Å; D19-V22 HydrophobicContact CB-CG2 3.82Å; D19-V22 PolarHBondContact O-N 3.35Å; D19-V22 VanDerWaalsContact O-N 3.09Å; D19-R23 PolarHBondContact O-N 2.84Å | ||
| 20 | R | 90 | Very high | 90.1 | Very high | 128 Ų | 128 | 68.3 Ų | 68.3 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.2 | -33.7 | 175 | 68.1 | 179.3 | -174 | -177.1 | -1.9 | 113.8 | E18 K24 V60 N63 | E18-R20 PolarHBondContact O-N 2.84Å; R20-K24 WeakPolarHBondContact O-CB 3.5Å; R20-K24 PolarHBondContact O-N 2.97Å; R20-V60 HydrophobicContact CB-CG2 3.76Å; R20-V60 HydrophobicContact CG-CG2 4.49Å; R20-N63 PolarHBondContact O-ND2 3.43Å; R20-N63 VanDerWaalsContact O-ND2 3.12Å |
| 21 | F | 93.2 | Very high | 90.4 | Very high | 125 Ų | 125 | 63.5 Ų | 63.5 | 55% | 0.548 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -76.2 | -34.9 | -178.6 | -64.9 | -70.8 | 0 | 0 | 0 | 111.6 | D19 K24 K25 | D19-F21 PolarHBondContact O-N 2.9Å; D19-F21 VanDerWaalsContact O-N 3.13Å; D19-F21 WeakPolarHBondContact OD1-CD2 3.31Å; D19-F21 PolarHBondContact OD1-N 2.96Å; F21-K24 PolarHBondContact O-N 3.1Å; F21-K25 WeakPolarHBondContact O-CB 3.49Å; F21-K25 PolarHBondContact O-N 3.3Å |
| 22 | V | 93 | Very high | 90.4 | Very high | 44 Ų | 44 | 66 Ų | 66 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 172.6 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | L14 D17 D19 K24 K25 A26 | L14-V22 HydrophobicContact CB-CG1 4.26Å; L14-V22 HydrophobicContact CD2-CG1 3.91Å; D17-V22 HydrophobicContact CB-CB 4.13Å; D17-V22 HydrophobicContact CB-CG1 3.74Å; D19-V22 HydrophobicContact CB-CB 4.14Å; D19-V22 HydrophobicContact CB-CG2 3.82Å; D19-V22 PolarHBondContact O-N 3.35Å; D19-V22 VanDerWaalsContact O-N 3.09Å; V22-K24 PolarHBondContact O-N 2.74Å; V22-K25 PolarHBondContact O-N 3.05Å; V22-A26 WeakPolarHBondContact O-CB 3.29Å; V22-A26 PolarHBondContact O-N 3.47Å |
| 23 | R | 93.7 | Very high | 90.5 | Very high | 25 Ų | 25 | 66.3 Ų | 66.3 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.1 | -44.5 | 174.8 | -63.5 | -162.6 | -58 | -83.5 | 4.9 | 112.5 | L15 D17 E18 D19 K25 A26 L27 D58 | L15-R23 WeakPolarHBondContact O-CD 3.48Å; D17-R23 HydrophobicContact CB-CG 4.26Å; D17-R23 WeakPolarHBondContact O-CD 3.26Å; D17-R23 VanDerWaalsContact O-CG 3.24Å; D17-R23 WeakPolarHBondContact O-CG 3.25Å; D17-R23 PolarHBondContact O-NH1 3.35Å; E18-R23 VanDerWaalsContact C-NH1 3.29Å; E18-R23 PolarHBondContact O-NH1 3.34Å; D19-R23 PolarHBondContact O-N 2.84Å; R23-K25 PolarHBondContact O-N 3.05Å; R23-A26 WeakPolarHBondContact O-CB 3.33Å; R23-A26 PolarHBondContact O-N 3.03Å; R23-L27 PolarHBondContact O-N 3.28Å; R23-D58 IonicContact CZ-OD1 2.7Å; R23-D58 IonicContact CZ-OD2 3.75Å; R23-D58 IonicContact NE-OD1 2.64Å; R23-D58 IonicContact NE-OD2 3.84Å; R23-D58 PolarHBondContact NE-OD2 3.43Å; R23-D58 IonicContact NH2-OD1 3.95Å; R23-D58 PolarHBondContact NH2-OD1 3.04Å; R23-D58 IonicContact NH2-OD2 2.65Å; R23-D58 PolarHBondContact NH2-OD2 3.2Å |
| 24 | K | 93.8 | Very high | 90.4 | Very high | 72 Ų | 72 | 62 Ų | 62 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 175.5 | -173.3 | 175.8 | 178.7 | 174 | 0 | 112.2 | R20 F21 V22 A26 L27 K28 V62 N63 L66 | R20-K24 WeakPolarHBondContact O-CB 3.5Å; R20-K24 PolarHBondContact O-N 2.97Å; F21-K24 PolarHBondContact O-N 3.1Å; V22-K24 PolarHBondContact O-N 2.74Å; K24-A26 VanDerWaalsContact C-N 3.35Å; K24-L27 PolarHBondContact O-N 2.97Å; K24-K28 PolarHBondContact O-N 2.99Å; K24-K28 VanDerWaalsContact O-N 3.08Å; K24-V62 HydrophobicContact CD-CG1 4.2Å; K24-N63 WeakPolarHBondContact CB-OD1 3.24Å; K24-L66 HydrophobicContact CG-CD2 4.17Å |
| 25 | K | 93.6 | Very high | 90.1 | Very high | 152 Ų | 152 | 63 Ų | 63 | 66% | 0.661 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.9 | -40.5 | 179 | -170.9 | 177 | -179.5 | 179.8 | 0 | 110.8 | F21 V22 R23 K28 S29 | F21-K25 WeakPolarHBondContact O-CB 3.49Å; F21-K25 PolarHBondContact O-N 3.3Å; V22-K25 PolarHBondContact O-N 3.05Å; R23-K25 PolarHBondContact O-N 3.05Å; K25-K28 PolarHBondContact O-N 3.34Å; K25-S29 PolarHBondContact O-N 3.41Å; K25-S29 PolarHBondContact O-OG 3.12Å; K25-S29 VanDerWaalsContact O-OG 3.1Å |
| 26 | A | 92.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 68 Ų | 68 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L14 L15 V22 R23 K24 K28 S29 V30 | L14-A26 HydrophobicContact CB-CB 3.7Å; L15-A26 HydrophobicContact CD2-CB 3.87Å; V22-A26 WeakPolarHBondContact O-CB 3.29Å; V22-A26 PolarHBondContact O-N 3.47Å; R23-A26 WeakPolarHBondContact O-CB 3.33Å; R23-A26 PolarHBondContact O-N 3.03Å; K24-A26 VanDerWaalsContact C-N 3.35Å; A26-K28 VanDerWaalsContact C-N 3.35Å; A26-K28 PolarHBondContact O-N 2.85Å; A26-S29 PolarHBondContact O-N 3.04Å; A26-S29 VanDerWaalsContact O-N 3.12Å; A26-V30 WeakPolarHBondContact O-CG2 3.16Å; A26-V30 PolarHBondContact O-N 3.04Å |
| 27 | L | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 175 | -78.8 | 170.6 | 0 | 0 | 0 | 112.4 | L15 R23 K24 V30 E31 L52 T55 N63 L66 A67 V70 | L15-L27 HydrophobicContact CD2-CB 4.47Å; L15-L27 HydrophobicContact CD2-CD2 3.69Å; L15-L27 HydrophobicContact CD2-CG 3.69Å; R23-L27 PolarHBondContact O-N 3.28Å; K24-L27 PolarHBondContact O-N 2.97Å; L27-V30 PolarHBondContact O-N 3.46Å; L27-E31 PolarHBondContact O-N 3.23Å; L27-L52 HydrophobicContact CD2-CD2 4.09Å; L27-T55 HydrophobicContact CD2-CG2 4.42Å; L27-N63 HydrophobicContact CD1-CB 4.29Å; L27-N63 WeakPolarHBondContact CD1-O 3.5Å; L27-L66 HydrophobicContact CB-CD2 3.39Å; L27-L66 HydrophobicContact CB-CG 3.92Å; L27-L66 HydrophobicContact CD1-CB 4.2Å; L27-L66 HydrophobicContact CD1-CD2 4.11Å; L27-L66 HydrophobicContact CD1-CG 4.34Å; L27-L66 HydrophobicContact CG-CD2 4.4Å; L27-A67 HydrophobicContact CD1-CB 4.37Å; L27-A67 HydrophobicContact CD2-CB 4.37Å; L27-V70 HydrophobicContact CD2-CG2 4.35Å; L27-V70 WeakPolarHBondContact O-CG2 3.43Å |
| 28 | K | 93.3 | Very high | 87.4 | Confident | 101 Ų | 101 | 66.8 Ų | 66.8 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 174.6 | -72.9 | -170.6 | 174.2 | -168.1 | 0 | 112.6 | K24 K25 A26 V30 E31 D32 L66 | K24-K28 PolarHBondContact O-N 2.99Å; K24-K28 VanDerWaalsContact O-N 3.08Å; K25-K28 PolarHBondContact O-N 3.34Å; A26-K28 VanDerWaalsContact C-N 3.35Å; A26-K28 PolarHBondContact O-N 2.85Å; K28-V30 VanDerWaalsContact C-N 3.31Å; K28-V30 PolarHBondContact O-N 3.36Å; K28-E31 VanDerWaalsContact O-CB 3.3Å; K28-E31 WeakPolarHBondContact O-CB 3.4Å; K28-E31 PolarHBondContact O-N 2.87Å; K28-D32 VanDerWaalsContact O-CG 3.28Å; K28-D32 PolarHBondContact O-N 3.34Å; K28-L66 HydrophobicContact CG-CD1 4.47Å; K28-L66 HydrophobicContact CG-CD2 3.76Å |
| 29 | S | 91.1 | Very high | 86.1 | Confident | 27 Ų | 27 | 61 Ų | 61 | 19% | 0.189 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.9 | -32.9 | 176.3 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | K25 A26 Y33 | K25-S29 PolarHBondContact O-N 3.41Å; K25-S29 PolarHBondContact O-OG 3.12Å; K25-S29 VanDerWaalsContact O-OG 3.1Å; A26-S29 PolarHBondContact O-N 3.04Å; A26-S29 VanDerWaalsContact O-N 3.12Å; S29-Y33 WeakPolarHBondContact O-CB 3.46Å; S29-Y33 PolarHBondContact O-N 3.4Å |
| 30 | V | 88.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 170.2 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | A26 L27 K28 Y33 L34 L52 V70 | A26-V30 WeakPolarHBondContact O-CG2 3.16Å; A26-V30 PolarHBondContact O-N 3.04Å; L27-V30 PolarHBondContact O-N 3.46Å; K28-V30 VanDerWaalsContact C-N 3.31Å; K28-V30 PolarHBondContact O-N 3.36Å; V30-Y33 WeakPolarHBondContact O-CB 3.22Å; V30-Y33 PolarHBondContact O-N 3.45Å; V30-L34 HydrophobicContact CG1-CD1 3.84Å; V30-L34 HydrophobicContact CG1-CG 4.18Å; V30-L34 WeakPolarHBondContact O-CB 3.28Å; V30-L34 VanDerWaalsContact O-CG 3.31Å; V30-L34 WeakPolarHBondContact O-CG 3.24Å; V30-L34 PolarHBondContact O-N 3.32Å; V30-L52 HydrophobicContact CG1-CD1 4.44Å; V30-L52 HydrophobicContact CG1-CD2 4.28Å; V30-V70 HydrophobicContact CB-CG1 4.31Å; V30-V70 HydrophobicContact CG1-CG1 3.72Å |
| 31 | E | 89.9 | Confident | 82.8 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.8 | -53.1 | 173.7 | -165.4 | -176.3 | 174.9 | 0 | 0 | 111.4 | L27 K28 Y33 L34 S35 K69 V70 L73 | L27-E31 PolarHBondContact O-N 3.23Å; K28-E31 VanDerWaalsContact O-CB 3.3Å; K28-E31 WeakPolarHBondContact O-CB 3.4Å; K28-E31 PolarHBondContact O-N 2.87Å; E31-Y33 VanDerWaalsContact C-N 3.29Å; E31-Y33 PolarHBondContact O-N 3.25Å; E31-L34 PolarHBondContact O-N 3.34Å; E31-S35 WeakPolarHBondContact O-CB 3.44Å; E31-S35 PolarHBondContact O-N 3.48Å; E31-S35 PolarHBondContact O-OG 3.22Å; E31-K69 WeakPolarHBondContact OE1-CD 3.31Å; E31-K69 WeakPolarHBondContact OE1-CE 3.46Å; E31-K69 IonicContact OE1-NZ 2.94Å; E31-K69 PolarHBondContact OE1-NZ 3.03Å; E31-K69 IonicContact OE2-NZ 2.72Å; E31-V70 HydrophobicContact CB-CG2 3.91Å; E31-V70 HydrophobicContact CG-CG2 4.36Å; E31-L73 HydrophobicContact CG-CD2 4.09Å |
| 32 | D | 87.6 | Confident | 81.2 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -42 | 178.4 | -67.9 | -23.3 | 0 | 0 | 0 | 110.5 | K28 S35 T36 | K28-D32 VanDerWaalsContact O-CG 3.28Å; K28-D32 PolarHBondContact O-N 3.34Å; D32-S35 WeakPolarHBondContact CA-OG 3.39Å; D32-S35 PolarHBondContact O-N 2.85Å; D32-S35 PolarHBondContact O-OG 3.41Å; D32-T36 WeakPolarHBondContact O-CB 3.33Å; D32-T36 PolarHBondContact O-N 3.12Å; D32-T36 VanDerWaalsContact O-N 3.12Å; D32-T36 PolarHBondContact O-OG1 3.06Å |
| 33 | Y | 85.1 | Confident | 79.7 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -51.5 | 176.2 | -177.9 | -81.9 | 0 | 0 | 0 | 112.4 | N4 I8 S29 V30 E31 S35 T36 N37 D39 | N4-Y33 HydrophobicContact CB-CE2 3.87Å; N4-Y33 WeakPolarHBondContact O-CE2 3.41Å; I8-Y33 HydrophobicContact CB-CD2 4.25Å; I8-Y33 HydrophobicContact CB-CE1 4.43Å; I8-Y33 HydrophobicContact CB-CE2 4.08Å; I8-Y33 HydrophobicContact CB-CG 4.47Å; I8-Y33 HydrophobicContact CD1-CD1 3.3Å; I8-Y33 HydrophobicContact CD1-CD2 4.41Å; I8-Y33 HydrophobicContact CD1-CE1 3.46Å; I8-Y33 VanDerWaalsContact CD1-CE1 3.46Å; I8-Y33 HydrophobicContact CD1-CG 3.83Å; I8-Y33 HydrophobicContact CG1-CD1 4.43Å; I8-Y33 HydrophobicContact CG2-CE2 4.45Å; S29-Y33 WeakPolarHBondContact O-CB 3.46Å; S29-Y33 PolarHBondContact O-N 3.4Å; V30-Y33 WeakPolarHBondContact O-CB 3.22Å; V30-Y33 PolarHBondContact O-N 3.45Å; E31-Y33 VanDerWaalsContact C-N 3.29Å; E31-Y33 PolarHBondContact O-N 3.25Å; Y33-S35 VanDerWaalsContact C-N 3.3Å; Y33-S35 PolarHBondContact O-N 3.43Å; Y33-T36 PolarHBondContact O-N 2.86Å; Y33-N37 HydrophobicContact CD1-CB 4.47Å; Y33-N37 HydrophobicContact CE1-CB 4.09Å; Y33-N37 WeakPolarHBondContact O-CB 3.45Å; Y33-N37 PolarHBondContact O-N 2.87Å; Y33-N37 PolarHBondContact O-ND2 3.38Å; Y33-D39 PolarHBondContact OH-OD2 3.44Å |
| 34 | L | 83.7 | Confident | 78.3 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.9 | -34.2 | -178.3 | -69.4 | 172.4 | 0 | 0 | 0 | 111.6 | V30 E31 T36 V70 L73 F74 | V30-L34 HydrophobicContact CG1-CD1 3.84Å; V30-L34 HydrophobicContact CG1-CG 4.18Å; V30-L34 WeakPolarHBondContact O-CB 3.28Å; V30-L34 VanDerWaalsContact O-CG 3.31Å; V30-L34 WeakPolarHBondContact O-CG 3.24Å; V30-L34 PolarHBondContact O-N 3.32Å; E31-L34 PolarHBondContact O-N 3.34Å; L34-T36 VanDerWaalsContact C-N 3.33Å; L34-V70 HydrophobicContact CD1-CG1 4Å; L34-L73 HydrophobicContact CB-CD2 3.7Å; L34-L73 HydrophobicContact CB-CG 3.93Å; L34-F74 HydrophobicContact CD1-CB 3.88Å; L34-F74 HydrophobicContact CD1-CD2 4.34Å; L34-F74 HydrophobicContact CD2-CD2 4.25Å |
| 35 | S | 83.1 | Confident | 77.2 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 54% | 0.538 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.5 | -28.8 | 177.3 | 70.3 | 0 | 0 | 0 | 0 | 113.2 | E31 D32 Y33 | E31-S35 WeakPolarHBondContact O-CB 3.44Å; E31-S35 PolarHBondContact O-N 3.48Å; E31-S35 PolarHBondContact O-OG 3.22Å; D32-S35 WeakPolarHBondContact CA-OG 3.39Å; D32-S35 PolarHBondContact O-N 2.85Å; D32-S35 PolarHBondContact O-OG 3.41Å; Y33-S35 VanDerWaalsContact C-N 3.3Å; Y33-S35 PolarHBondContact O-N 3.43Å |
| 36 | T | 80.7 | Confident | 76.1 | Confident | 111 Ų | 111 | 57.2 Ų | 57.2 | 68% | 0.681 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -93.6 | -29 | -176.8 | -44.8 | 0 | 0 | 0 | 0 | 112.4 | D32 Y33 L34 | D32-T36 WeakPolarHBondContact O-CB 3.33Å; D32-T36 PolarHBondContact O-N 3.12Å; D32-T36 VanDerWaalsContact O-N 3.12Å; D32-T36 PolarHBondContact O-OG1 3.06Å; Y33-T36 PolarHBondContact O-N 2.86Å; L34-T36 VanDerWaalsContact C-N 3.33Å |
| 37 | N | 70.5 | Confident | 75.2 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | trans | -115.9 | 114 | -174 | -57.5 | -76.4 | 0 | 0 | 0 | 111.1 | N4 Y33 D39 | N4-N37 PolarHBondContact ND2-OD1 2.88Å; Y33-N37 HydrophobicContact CD1-CB 4.47Å; Y33-N37 HydrophobicContact CE1-CB 4.09Å; Y33-N37 WeakPolarHBondContact O-CB 3.45Å; Y33-N37 PolarHBondContact O-N 2.87Å; Y33-N37 PolarHBondContact O-ND2 3.38Å; N37-D39 PolarHBondContact O-N 3.43Å; N37-D39 VanDerWaalsContact O-N 3.12Å | ||
| 38 | S | 60.9 | Low | 74.5 | Confident | 97 Ų | 97 | 61 Ų | 61 | 68% | 0.678 | 34% | 0.343 | S | S | * | . | trans | -83.7 | 59.8 | 164 | 67.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 39 | D | 58.6 | Low | 74 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | trans | -69.6 | 143.3 | 179.6 | -87 | -35.1 | 0 | 0 | 0 | 110.5 | Y33 N37 F45 | Y33-D39 PolarHBondContact OH-OD2 3.44Å; N37-D39 PolarHBondContact O-N 3.43Å; N37-D39 VanDerWaalsContact O-N 3.12Å; D39-F45 WeakPolarHBondContact O-CE2 3.28Å; D39-F45 WeakPolarHBondContact O-CZ 3.34Å | ||
| 40 | K | 54.4 | Low | 73.6 | Confident | 159 Ų | 159 | 59 Ų | 59 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | trans | -110.2 | 2.2 | -171.4 | -63.5 | -175.7 | 178.9 | 179.4 | 0 | 114 | S42 | K40-S42 PolarHBondContact O-N 3.18Š| ||
| 41 | E | 59.1 | Low | 73.5 | Confident | 113 Ų | 113 | 60.6 Ų | 60.6 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | trans | -83.9 | 105.9 | -172.4 | -68.3 | -156.4 | 169 | 0 | 0 | 113.4 | T43 I44 F45 | E41-T43 PolarHBondContact O-N 3.15Å; E41-T43 VanDerWaalsContact O-N 3.1Å; E41-I44 HydrophobicContact CB-CD1 3.92Å; E41-I44 HydrophobicContact CB-CG1 4.18Å; E41-I44 PolarHBondContact O-N 3.31Å; E41-F45 WeakPolarHBondContact O-CD2 3.49Å | ||
| 42 | S | 58.4 | Low | 73.5 | Confident | 81 Ų | 81 | 59 Ų | 59 | 57% | 0.566 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -52.4 | -30.8 | -177.3 | 54.8 | 0 | 0 | 0 | 0 | 115.6 | K40 F45 S46 | K40-S42 PolarHBondContact O-N 3.18Å; S42-F45 PolarHBondContact O-N 2.98Å; S42-S46 PolarHBondContact O-N 2.93Å |
| 43 | T | 61.1 | Low | 73.5 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 56% | 0.564 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -73 | -34.1 | -178.1 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | E41 F45 S46 | E41-T43 PolarHBondContact O-N 3.15Å; E41-T43 VanDerWaalsContact O-N 3.1Å; T43-F45 VanDerWaalsContact C-N 3.32Å; T43-S46 PolarHBondContact O-OG 3.14Å; T43-S46 VanDerWaalsContact O-OG 3.05Å |
| 44 | I | 65.5 | Low | 73.7 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 174.6 | -56.7 | 174.2 | 0 | 0 | 0 | 108.9 | L5 I8 E41 S46 T47 V48 | L5-I44 HydrophobicContact CD1-CD1 4.11Å; L5-I44 HydrophobicContact CD2-CD1 3.48Å; L5-I44 VanDerWaalsContact CD2-CD1 3.48Å; L5-I44 HydrophobicContact CD2-CG1 3.9Å; L5-I44 HydrophobicContact CG-CD1 3.8Å; I8-I44 HydrophobicContact CG2-CG2 4.47Å; E41-I44 HydrophobicContact CB-CD1 3.92Å; E41-I44 HydrophobicContact CB-CG1 4.18Å; E41-I44 PolarHBondContact O-N 3.31Å; I44-S46 PolarHBondContact O-N 3.34Å; I44-T47 PolarHBondContact O-N 3.23Å; I44-V48 HydrophobicContact CG2-CG2 4.05Å; I44-V48 WeakPolarHBondContact O-CB 3.41Å; I44-V48 WeakPolarHBondContact O-CG2 3.38Å; I44-V48 PolarHBondContact O-N 3.1Å; I44-V48 VanDerWaalsContact O-N 3.09Å |
| 45 | F | 69.9 | Low | 74.1 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.2 | -39.4 | -178.3 | -72.1 | -76.7 | 0 | 0 | 0 | 113 | D39 E41 S42 T43 V48 A49 F74 T78 | D39-F45 WeakPolarHBondContact O-CE2 3.28Å; D39-F45 WeakPolarHBondContact O-CZ 3.34Å; E41-F45 WeakPolarHBondContact O-CD2 3.49Å; S42-F45 PolarHBondContact O-N 2.98Å; T43-F45 VanDerWaalsContact C-N 3.32Å; F45-V48 PolarHBondContact O-N 3.39Å; F45-A49 WeakPolarHBondContact O-CB 3.46Å; F45-A49 PolarHBondContact O-N 2.94Å; F45-F74 HydrophobicContact CB-CE2 4.24Å; F45-F74 HydrophobicContact CB-CZ 3.97Å; F45-F74 HydrophobicContact CD1-CD2 4.09Å; F45-F74 AromaticContact CD1-CE2 3.36Å; F45-F74 HydrophobicContact CD1-CE2 3.36Å; F45-F74 AromaticContact CD1-CZ 3.71Å; F45-F74 HydrophobicContact CD1-CZ 3.71Å; F45-F74 HydrophobicContact CE1-CD2 4.47Å; F45-F74 HydrophobicContact CE1-CE2 4.13Å; F45-F74 HydrophobicContact CG-CE2 4.27Å; F45-F74 HydrophobicContact CG-CZ 4.34Å; F45-F74 VanDerWaalsContact O-CZ 3.27Å; F45-F74 WeakPolarHBondContact O-CZ 3.36Å; F45-T78 HydrophobicContact CD1-CG2 4.35Å; F45-T78 VanDerWaalsContact CD1-OG1 3.27Å; F45-T78 WeakPolarHBondContact CD1-OG1 3.38Å; F45-T78 HydrophobicContact CG-CG2 4.42Å |
| 46 | S | 69.9 | Low | 74.5 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | -179.7 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | S42 T43 I44 A49 E50 | S42-S46 PolarHBondContact O-N 2.93Å; T43-S46 PolarHBondContact O-OG 3.14Å; T43-S46 VanDerWaalsContact O-OG 3.05Å; I44-S46 PolarHBondContact O-N 3.34Å; S46-A49 PolarHBondContact O-N 2.89Å; S46-E50 PolarHBondContact O-N 2.79Å; S46-E50 VanDerWaalsContact O-N 3.12Å |
| 47 | T | 73.8 | Confident | 74.9 | Confident | 78 Ų | 78 | 52.9 Ų | 52.9 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69 | -38.1 | 179.9 | -49 | 0 | 0 | 0 | 0 | 111.4 | I44 N51 | I44-T47 PolarHBondContact O-N 3.23Å; T47-N51 PolarHBondContact O-ND2 2.87Å |
| 48 | V | 79.8 | Confident | 76 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 173 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | I8 I12 I44 F45 E50 N51 L52 F74 | I8-V48 HydrophobicContact CD1-CG2 4.15Å; I8-V48 HydrophobicContact CG1-CG2 4.28Å; I12-V48 HydrophobicContact CD1-CB 4.23Å; I12-V48 HydrophobicContact CD1-CG2 3.38Å; I12-V48 HydrophobicContact CG1-CG2 4.19Å; I44-V48 HydrophobicContact CG2-CG2 4.05Å; I44-V48 WeakPolarHBondContact O-CB 3.41Å; I44-V48 WeakPolarHBondContact O-CG2 3.38Å; I44-V48 PolarHBondContact O-N 3.1Å; I44-V48 VanDerWaalsContact O-N 3.09Å; F45-V48 PolarHBondContact O-N 3.39Å; V48-E50 PolarHBondContact O-N 3.22Å; V48-N51 PolarHBondContact O-N 3.29Å; V48-L52 HydrophobicContact CG1-CD1 3.41Å; V48-L52 VanDerWaalsContact CG1-CD1 3.41Å; V48-L52 HydrophobicContact CG1-CG 3.96Å; V48-L52 WeakPolarHBondContact O-CB 3.41Å; V48-L52 VanDerWaalsContact O-CG 3.29Å; V48-L52 WeakPolarHBondContact O-CG 3.33Å; V48-L52 PolarHBondContact O-N 3.38Å; V48-F74 HydrophobicContact CB-CE2 3.9Å; V48-F74 HydrophobicContact CG1-CD2 3.76Å; V48-F74 HydrophobicContact CG1-CE2 3.49Å; V48-F74 VanDerWaalsContact CG1-CE2 3.49Å; V48-F74 HydrophobicContact CG1-CZ 4.48Å |
| 49 | A | 81.1 | Confident | 77.3 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -46.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | F45 S46 N51 L52 A53 F74 V84 L87 | F45-A49 WeakPolarHBondContact O-CB 3.46Å; F45-A49 PolarHBondContact O-N 2.94Å; S46-A49 PolarHBondContact O-N 2.89Å; A49-N51 PolarHBondContact O-N 2.81Å; A49-L52 PolarHBondContact O-N 3.21Å; A49-A53 VanDerWaalsContact O-CB 3.24Å; A49-A53 WeakPolarHBondContact O-CB 3.36Å; A49-A53 PolarHBondContact O-N 3.28Å; A49-F74 HydrophobicContact CB-CE1 3.84Å; A49-F74 HydrophobicContact CB-CZ 3.7Å; A49-V84 HydrophobicContact CB-CB 4.47Å; A49-V84 HydrophobicContact CB-CG1 3.93Å; A49-V84 HydrophobicContact CB-CG2 4.11Å; A49-L87 HydrophobicContact CB-CD1 4.07Å |
| 50 | E | 84.2 | Confident | 79 | Confident | 86 Ų | 86 | 51.3 Ų | 51.3 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | -178.6 | -169.7 | -169.3 | 152.6 | 0 | 0 | 111.6 | S46 V48 K54 L87 | S46-E50 PolarHBondContact O-N 2.79Å; S46-E50 VanDerWaalsContact O-N 3.12Å; V48-E50 PolarHBondContact O-N 3.22Å; E50-K54 WeakPolarHBondContact O-CG 3.37Å; E50-K54 PolarHBondContact O-N 3.1Å; E50-K54 IonicContact OE1-NZ 3.39Å; E50-K54 PolarHBondContact OE1-NZ 3.43Å; E50-L87 HydrophobicContact CB-CD1 4.16Å; E50-L87 HydrophobicContact CB-CD2 4.38Å; E50-L87 HydrophobicContact CG-CD2 4.27Å |
| 51 | N | 86.9 | Confident | 80.7 | Confident | 33 Ų | 33 | 48.4 Ų | 48.4 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.5 | -39.3 | -179.2 | -70 | -63.3 | 0 | 0 | 0 | 112 | I12 L15 T47 V48 A49 K54 T55 | I12-N51 HydrophobicContact CG2-CB 3.54Å; I12-N51 VanDerWaalsContact CG2-ND2 3.25Å; I12-N51 WeakPolarHBondContact CG2-ND2 3.32Å; L15-N51 HydrophobicContact CD1-CB 4.36Å; T47-N51 PolarHBondContact O-ND2 2.87Å; V48-N51 PolarHBondContact O-N 3.29Å; A49-N51 PolarHBondContact O-N 2.81Å; N51-K54 PolarHBondContact O-N 3.28Å; N51-T55 PolarHBondContact O-N 2.92Å |
| 52 | L | 88.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -42.3 | 173.5 | -74.8 | -179.8 | 0 | 0 | 0 | 111.7 | L15 L27 V30 V48 A49 K54 T55 V70 L71 F74 | L15-L52 HydrophobicContact CD1-CD2 3.82Å; L15-L52 HydrophobicContact CD1-CG 4.46Å; L27-L52 HydrophobicContact CD2-CD2 4.09Å; V30-L52 HydrophobicContact CG1-CD1 4.44Å; V30-L52 HydrophobicContact CG1-CD2 4.28Å; V48-L52 HydrophobicContact CG1-CD1 3.41Å; V48-L52 VanDerWaalsContact CG1-CD1 3.41Å; V48-L52 HydrophobicContact CG1-CG 3.96Å; V48-L52 WeakPolarHBondContact O-CB 3.41Å; V48-L52 VanDerWaalsContact O-CG 3.29Å; V48-L52 WeakPolarHBondContact O-CG 3.33Å; V48-L52 PolarHBondContact O-N 3.38Å; A49-L52 PolarHBondContact O-N 3.21Å; L52-K54 VanDerWaalsContact C-N 3.26Å; L52-K54 PolarHBondContact O-N 2.85Å; L52-T55 PolarHBondContact O-N 2.85Å; L52-T55 PolarHBondContact O-OG1 2.83Å; L52-V70 HydrophobicContact CD1-CG1 4Å; L52-V70 HydrophobicContact CD2-CG1 3.75Å; L52-L71 HydrophobicContact CB-CD2 3.66Å; L52-L71 HydrophobicContact CB-CG 4.17Å; L52-L71 HydrophobicContact CD1-CD2 4.33Å; L52-F74 HydrophobicContact CD1-CB 4.29Å; L52-F74 HydrophobicContact CD1-CD2 4.01Å; L52-F74 HydrophobicContact CD1-CG 4.15Å |
| 53 | A | 89.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.7 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A49 T55 L56 L88 V91 | A49-A53 VanDerWaalsContact O-CB 3.24Å; A49-A53 WeakPolarHBondContact O-CB 3.36Å; A49-A53 PolarHBondContact O-N 3.28Å; A53-T55 VanDerWaalsContact C-N 3.29Å; A53-T55 PolarHBondContact O-N 2.97Å; A53-L56 VanDerWaalsContact O-CB 3.31Å; A53-L56 WeakPolarHBondContact O-CB 3.46Å; A53-L56 PolarHBondContact O-N 3.39Å; A53-L88 HydrophobicContact CB-CD1 3.93Å; A53-V91 HydrophobicContact CB-CG2 4.18Å |
| 54 | K | 88.7 | Confident | 85.6 | Confident | 105 Ų | 105 | 39.6 Ų | 39.6 | 46% | 0.457 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.8 | -32.8 | 176 | -69.4 | 170.7 | -170.8 | 166.5 | 0 | 113.1 | E50 N51 L52 L56 N57 | E50-K54 WeakPolarHBondContact O-CG 3.37Å; E50-K54 PolarHBondContact O-N 3.1Å; E50-K54 IonicContact OE1-NZ 3.39Å; E50-K54 PolarHBondContact OE1-NZ 3.43Å; N51-K54 PolarHBondContact O-N 3.28Å; L52-K54 VanDerWaalsContact C-N 3.26Å; L52-K54 PolarHBondContact O-N 2.85Å; K54-L56 PolarHBondContact O-N 2.88Å; K54-N57 PolarHBondContact O-N 3.42Å |
| 55 | T | 91.7 | Very high | 87 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.8 | -15.9 | 178.7 | 64.8 | 0 | 0 | 0 | 0 | 114.2 | L15 L27 N51 L52 A53 N57 D58 A67 | L15-T55 HydrophobicContact CB-CG2 3.82Å; L15-T55 HydrophobicContact CD1-CG2 4.09Å; L15-T55 HydrophobicContact CD2-CG2 4.18Å; L15-T55 HydrophobicContact CG-CG2 4.25Å; L27-T55 HydrophobicContact CD2-CG2 4.42Å; N51-T55 PolarHBondContact O-N 2.92Å; L52-T55 PolarHBondContact O-N 2.85Å; L52-T55 PolarHBondContact O-OG1 2.83Å; A53-T55 VanDerWaalsContact C-N 3.29Å; A53-T55 PolarHBondContact O-N 2.97Å; T55-N57 PolarHBondContact O-N 3.01Å; T55-D58 WeakPolarHBondContact O-CB 3.31Å; T55-D58 PolarHBondContact O-N 3.29Å; T55-D58 VanDerWaalsContact O-N 3.11Å; T55-A67 WeakPolarHBondContact OG1-CB 3.45Å |
| 56 | L | 91.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.3 | 168.2 | -68.5 | 175.4 | 0 | 0 | 0 | 112.3 | A53 K54 R64 A67 V68 L71 L88 V91 L92 R95 L115 | A53-L56 VanDerWaalsContact O-CB 3.31Å; A53-L56 WeakPolarHBondContact O-CB 3.46Å; A53-L56 PolarHBondContact O-N 3.39Å; K54-L56 PolarHBondContact O-N 2.88Å; L56-R64 WeakPolarHBondContact O-CD 3.25Å; L56-R64 WeakPolarHBondContact O-CG 3.16Å; L56-A67 HydrophobicContact CD2-CB 4.25Å; L56-V68 HydrophobicContact CD2-CB 4.41Å; L56-V68 HydrophobicContact CD2-CG2 3.43Å; L56-V68 VanDerWaalsContact CD2-CG2 3.43Å; L56-L71 HydrophobicContact CD1-CD1 3.69Å; L56-L71 HydrophobicContact CD2-CD1 3.69Å; L56-L71 HydrophobicContact CG-CD1 3.56Å; L56-L88 HydrophobicContact CD1-CD1 4.02Å; L56-V91 HydrophobicContact CB-CG1 4.23Å; L56-V91 HydrophobicContact CD1-CG1 4.02Å; L56-L92 HydrophobicContact CD1-CD2 4.05Å; L56-R95 PolarHBondContact O-NH1 2.83Å; L56-R95 PolarHBondContact O-NH2 3.36Å; L56-L115 HydrophobicContact CD1-CD2 4.47Å |
| 57 | N | 89.9 | Confident | 89.4 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 16.7 | 178.3 | -61 | -42.9 | 0 | 0 | 0 | 113.6 | K54 T55 M94 R95 | K54-N57 PolarHBondContact O-N 3.42Å; T55-N57 PolarHBondContact O-N 3.01Å; N57-M94 WeakPolarHBondContact ND2-CE 3.32Å; N57-M94 VanDerWaalsContact OD1-CE 3.28Å; N57-M94 WeakPolarHBondContact OD1-CE 3.35Å; N57-R95 WeakPolarHBondContact OD1-CD 3.26Å; N57-R95 PolarHBondContact OD1-NH1 3.45Å |
| 58 | D | 92.8 | Very high | 90.4 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | trans | -58 | 135.4 | 176.1 | -165.9 | -53.2 | 0 | 0 | 0 | 110.7 | R23 T55 V60 N63 R64 | R23-D58 IonicContact CZ-OD1 2.7Å; R23-D58 IonicContact CZ-OD2 3.75Å; R23-D58 IonicContact NE-OD1 2.64Å; R23-D58 IonicContact NE-OD2 3.84Å; R23-D58 PolarHBondContact NE-OD2 3.43Å; R23-D58 IonicContact NH2-OD1 3.95Å; R23-D58 PolarHBondContact NH2-OD1 3.04Å; R23-D58 IonicContact NH2-OD2 2.65Å; R23-D58 PolarHBondContact NH2-OD2 3.2Å; T55-D58 WeakPolarHBondContact O-CB 3.31Å; T55-D58 PolarHBondContact O-N 3.29Å; T55-D58 VanDerWaalsContact O-N 3.11Å; D58-V60 PolarHBondContact O-N 2.81Å; D58-V60 WeakPolarHBondContact OD1-CB 3.37Å; D58-V60 PolarHBondContact OD1-N 2.85Å; D58-N63 HydrophobicContact CB-CB 3.9Å; D58-N63 WeakPolarHBondContact OD2-CB 3.44Å; D58-N63 PolarHBondContact OD2-ND2 3.4Å; D58-R64 HydrophobicContact CB-CG 3.96Å; D58-R64 WeakPolarHBondContact O-CD 3.27Å; D58-R64 WeakPolarHBondContact O-CG 3.04Å; D58-R64 PolarHBondContact O-NH1 2.67Å | ||
| 59 | P | 89.8 | Confident | 91.1 | Very high | 111 Ų | 111 | 43.2 Ų | 43.2 | 72% | 0.721 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -59.8 | -25.4 | 175.9 | 23.4 | -35 | 0 | 0 | 0 | 113.2 | R64 | P59-R64 VanDerWaalsContact C-NH1 3.33Å; P59-R64 PolarHBondContact O-NH1 3.05Å |
| 60 | V | 92.9 | Very high | 91.6 | Very high | 35 Ų | 35 | 43.1 Ų | 43.1 | 21% | 0.212 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -93.1 | 121.8 | -176 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | R20 D58 V62 N63 R64 | R20-V60 HydrophobicContact CB-CG2 3.76Å; R20-V60 HydrophobicContact CG-CG2 4.49Å; D58-V60 PolarHBondContact O-N 2.81Å; D58-V60 WeakPolarHBondContact OD1-CB 3.37Å; D58-V60 PolarHBondContact OD1-N 2.85Å; V60-V62 HydrophobicContact CG1-CB 4.36Å; V60-V62 PolarHBondContact O-N 3.44Å; V60-N63 HydrophobicContact CB-CB 4.3Å; V60-N63 WeakPolarHBondContact O-CB 3.16Å; V60-N63 PolarHBondContact O-N 3.09Å; V60-R64 PolarHBondContact O-N 3.47Å; V60-R64 VanDerWaalsContact O-N 3.13Å |
| 61 | E | 91.2 | Very high | 92.1 | Very high | 99 Ų | 99 | 39 Ų | 39 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -51.3 | -49.8 | -178.3 | -173.1 | 175.2 | 174 | 0 | 0 | 113.3 | N63 R64 E65 S105 I108 | E61-N63 PolarHBondContact O-N 3.27Å; E61-R64 WeakPolarHBondContact O-CB 3.28Å; E61-R64 PolarHBondContact O-N 2.81Å; E61-E65 PolarHBondContact O-N 3.14Å; E61-S105 WeakPolarHBondContact OE1-CB 3.4Å; E61-S105 PolarHBondContact OE1-OG 3.43Å; E61-I108 HydrophobicContact CB-CD1 4.5Å; E61-I108 HydrophobicContact CG-CD1 3.35Å |
| 62 | V | 93.4 | Very high | 92.3 | Very high | 65 Ų | 65 | 39 Ų | 39 | 39% | 0.394 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.9 | -33.7 | 179.4 | 177.7 | 0 | 0 | 0 | 0 | 112.4 | K24 V60 L66 | K24-V62 HydrophobicContact CD-CG1 4.2Å; V60-V62 HydrophobicContact CG1-CB 4.36Å; V60-V62 PolarHBondContact O-N 3.44Å; V62-L66 WeakPolarHBondContact O-CB 3.37Å; V62-L66 PolarHBondContact O-N 2.69Å; V62-L66 VanDerWaalsContact O-N 3.1Å |
| 63 | N | 94.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.8 | -36.6 | 178.2 | -70.7 | -0 | 0 | 0 | 0 | 110.9 | R20 K24 L27 D58 V60 E61 L66 A67 | R20-N63 PolarHBondContact O-ND2 3.43Å; R20-N63 VanDerWaalsContact O-ND2 3.12Å; K24-N63 WeakPolarHBondContact CB-OD1 3.24Å; L27-N63 HydrophobicContact CD1-CB 4.29Å; L27-N63 WeakPolarHBondContact CD1-O 3.5Å; D58-N63 HydrophobicContact CB-CB 3.9Å; D58-N63 WeakPolarHBondContact OD2-CB 3.44Å; D58-N63 PolarHBondContact OD2-ND2 3.4Å; V60-N63 HydrophobicContact CB-CB 4.3Å; V60-N63 WeakPolarHBondContact O-CB 3.16Å; V60-N63 PolarHBondContact O-N 3.09Å; E61-N63 PolarHBondContact O-N 3.27Å; N63-L66 PolarHBondContact O-N 3.3Å; N63-A67 VanDerWaalsContact O-CB 3.23Å; N63-A67 WeakPolarHBondContact O-CB 3.38Å; N63-A67 PolarHBondContact O-N 2.85Å |
| 64 | R | 94 | Very high | 92.3 | Very high | 33 Ų | 33 | 41 Ų | 41 | 13% | 0.125 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 173.1 | -62.3 | -163.8 | -62.8 | -83.9 | 4.5 | 111.9 | L56 D58 P59 V60 E61 L66 A67 V68 E103 I108 | L56-R64 WeakPolarHBondContact O-CD 3.25Å; L56-R64 WeakPolarHBondContact O-CG 3.16Å; D58-R64 HydrophobicContact CB-CG 3.96Å; D58-R64 WeakPolarHBondContact O-CD 3.27Å; D58-R64 WeakPolarHBondContact O-CG 3.04Å; D58-R64 PolarHBondContact O-NH1 2.67Å; P59-R64 VanDerWaalsContact C-NH1 3.33Å; P59-R64 PolarHBondContact O-NH1 3.05Å; V60-R64 PolarHBondContact O-N 3.47Å; V60-R64 VanDerWaalsContact O-N 3.13Å; E61-R64 WeakPolarHBondContact O-CB 3.28Å; E61-R64 PolarHBondContact O-N 2.81Å; R64-L66 VanDerWaalsContact C-N 3.35Å; R64-L66 PolarHBondContact O-N 2.92Å; R64-A67 WeakPolarHBondContact O-CB 3.46Å; R64-A67 PolarHBondContact O-N 3.39Å; R64-V68 WeakPolarHBondContact O-CG2 3.45Å; R64-V68 PolarHBondContact O-N 3.14Å; R64-E103 IonicContact CZ-OE1 2.68Å; R64-E103 IonicContact CZ-OE2 3.46Å; R64-E103 IonicContact NE-OE1 3.87Å; R64-E103 IonicContact NE-OE2 3.33Å; R64-E103 PolarHBondContact NE-OE2 2.9Å; R64-E103 IonicContact NH2-OE1 3.48Å; R64-E103 PolarHBondContact NH2-OE1 3.3Å; R64-E103 VanDerWaalsContact NH2-OE1 3.1Å; R64-E103 IonicContact NH2-OE2 2.76Å; R64-E103 PolarHBondContact NH2-OE2 2.88Å; R64-I108 HydrophobicContact CB-CD1 4.48Å |
| 65 | E | 94.6 | Very high | 92.4 | Very high | 109 Ų | 109 | 36 Ų | 36 | 51% | 0.509 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.1 | -48.5 | 175.3 | -172.1 | -165.6 | 166.9 | 0 | 0 | 111 | E61 V68 K69 I108 | E61-E65 PolarHBondContact O-N 3.14Å; E65-V68 PolarHBondContact O-N 3.35Å; E65-K69 PolarHBondContact O-N 3.38Å; E65-K69 VanDerWaalsContact O-N 3.08Å; E65-I108 HydrophobicContact CB-CD1 4.23Å; E65-I108 HydrophobicContact CB-CG1 4.46Å |
| 66 | L | 94.4 | Very high | 92.1 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 177.4 | -167.9 | 69.5 | 0 | 0 | 0 | 111.8 | K24 L27 K28 V62 N63 R64 V68 K69 V70 | K24-L66 HydrophobicContact CG-CD2 4.17Å; L27-L66 HydrophobicContact CB-CD2 3.39Å; L27-L66 HydrophobicContact CB-CG 3.92Å; L27-L66 HydrophobicContact CD1-CB 4.2Å; L27-L66 HydrophobicContact CD1-CD2 4.11Å; L27-L66 HydrophobicContact CD1-CG 4.34Å; L27-L66 HydrophobicContact CG-CD2 4.4Å; K28-L66 HydrophobicContact CG-CD1 4.47Å; K28-L66 HydrophobicContact CG-CD2 3.76Å; V62-L66 WeakPolarHBondContact O-CB 3.37Å; V62-L66 PolarHBondContact O-N 2.69Å; V62-L66 VanDerWaalsContact O-N 3.1Å; N63-L66 PolarHBondContact O-N 3.3Å; R64-L66 VanDerWaalsContact C-N 3.35Å; R64-L66 PolarHBondContact O-N 2.92Å; L66-V68 VanDerWaalsContact C-N 3.35Å; L66-V68 PolarHBondContact O-N 3.35Å; L66-K69 HydrophobicContact CD1-CD 4.42Å; L66-K69 WeakPolarHBondContact O-CB 3.25Å; L66-K69 PolarHBondContact O-N 2.98Å; L66-K69 VanDerWaalsContact O-N 3.15Å; L66-V70 HydrophobicContact CG-CG2 4.48Å; L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.07Å; L66-V70 PolarHBondContact O-N 2.64Å |
| 67 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -45 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L27 T55 L56 N63 R64 K69 V70 L71 | L27-A67 HydrophobicContact CD1-CB 4.37Å; L27-A67 HydrophobicContact CD2-CB 4.37Å; T55-A67 WeakPolarHBondContact OG1-CB 3.45Å; L56-A67 HydrophobicContact CD2-CB 4.25Å; N63-A67 VanDerWaalsContact O-CB 3.23Å; N63-A67 WeakPolarHBondContact O-CB 3.38Å; N63-A67 PolarHBondContact O-N 2.85Å; R64-A67 WeakPolarHBondContact O-CB 3.46Å; R64-A67 PolarHBondContact O-N 3.39Å; A67-K69 VanDerWaalsContact C-N 3.32Å; A67-K69 PolarHBondContact O-N 3.22Å; A67-V70 PolarHBondContact O-N 3.25Å; A67-L71 WeakPolarHBondContact O-CB 3.21Å; A67-L71 WeakPolarHBondContact O-CG 3.44Å; A67-L71 PolarHBondContact O-N 2.88Å |
| 68 | V | 94.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 174.5 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | L56 R64 E65 L66 L71 K72 S111 L115 | L56-V68 HydrophobicContact CD2-CB 4.41Å; L56-V68 HydrophobicContact CD2-CG2 3.43Å; L56-V68 VanDerWaalsContact CD2-CG2 3.43Å; R64-V68 WeakPolarHBondContact O-CG2 3.45Å; R64-V68 PolarHBondContact O-N 3.14Å; E65-V68 PolarHBondContact O-N 3.35Å; L66-V68 VanDerWaalsContact C-N 3.35Å; L66-V68 PolarHBondContact O-N 3.35Å; V68-L71 PolarHBondContact O-N 3.04Å; V68-K72 HydrophobicContact CG1-CD 4.4Å; V68-K72 WeakPolarHBondContact O-CG 3.14Å; V68-K72 PolarHBondContact O-N 3.41Å; V68-S111 WeakPolarHBondContact CG1-O 3.41Å; V68-S111 VanDerWaalsContact CG1-OG 3.28Å; V68-S111 WeakPolarHBondContact CG1-OG 3.35Å; V68-L115 HydrophobicContact CG1-CB 4.21Å |
| 69 | K | 94.6 | Very high | 90.8 | Very high | 116 Ų | 116 | 43.3 Ų | 43.3 | 50% | 0.504 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 177.9 | -168.5 | -172.1 | -176.1 | -162 | 0 | 112 | E31 E65 L66 A67 K72 L73 | E31-K69 WeakPolarHBondContact OE1-CD 3.31Å; E31-K69 WeakPolarHBondContact OE1-CE 3.46Å; E31-K69 IonicContact OE1-NZ 2.94Å; E31-K69 PolarHBondContact OE1-NZ 3.03Å; E31-K69 IonicContact OE2-NZ 2.72Å; E65-K69 PolarHBondContact O-N 3.38Å; E65-K69 VanDerWaalsContact O-N 3.08Å; L66-K69 HydrophobicContact CD1-CD 4.42Å; L66-K69 WeakPolarHBondContact O-CB 3.25Å; L66-K69 PolarHBondContact O-N 2.98Å; L66-K69 VanDerWaalsContact O-N 3.15Å; A67-K69 VanDerWaalsContact C-N 3.32Å; A67-K69 PolarHBondContact O-N 3.22Å; K69-K72 PolarHBondContact O-N 3.47Å; K69-L73 PolarHBondContact O-N 3.46Å |
| 70 | V | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 111 | L27 V30 E31 L34 L52 L66 A67 K72 L73 F74 | L27-V70 HydrophobicContact CD2-CG2 4.35Å; L27-V70 WeakPolarHBondContact O-CG2 3.43Å; V30-V70 HydrophobicContact CB-CG1 4.31Å; V30-V70 HydrophobicContact CG1-CG1 3.72Å; E31-V70 HydrophobicContact CB-CG2 3.91Å; E31-V70 HydrophobicContact CG-CG2 4.36Å; L34-V70 HydrophobicContact CD1-CG1 4Å; L52-V70 HydrophobicContact CD1-CG1 4Å; L52-V70 HydrophobicContact CD2-CG1 3.75Å; L66-V70 HydrophobicContact CG-CG2 4.48Å; L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.07Å; L66-V70 PolarHBondContact O-N 2.64Å; A67-V70 PolarHBondContact O-N 3.25Å; V70-K72 PolarHBondContact O-N 3.21Å; V70-L73 PolarHBondContact O-N 3.43Å; V70-F74 VanDerWaalsContact O-CB 3.28Å; V70-F74 WeakPolarHBondContact O-CB 3.07Å; V70-F74 PolarHBondContact O-N 3.46Å |
| 71 | L | 93.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -35.6 | 177.5 | -81.4 | 166.1 | 0 | 0 | 0 | 113.1 | L52 L56 A67 V68 F74 I75 L88 L115 | L52-L71 HydrophobicContact CB-CD2 3.66Å; L52-L71 HydrophobicContact CB-CG 4.17Å; L52-L71 HydrophobicContact CD1-CD2 4.33Å; L56-L71 HydrophobicContact CD1-CD1 3.69Å; L56-L71 HydrophobicContact CD2-CD1 3.69Å; L56-L71 HydrophobicContact CG-CD1 3.56Å; A67-L71 WeakPolarHBondContact O-CB 3.21Å; A67-L71 WeakPolarHBondContact O-CG 3.44Å; A67-L71 PolarHBondContact O-N 2.88Å; V68-L71 PolarHBondContact O-N 3.04Å; L71-F74 WeakPolarHBondContact O-CB 3.24Å; L71-F74 PolarHBondContact O-N 3.21Å; L71-I75 WeakPolarHBondContact O-CG1 3.41Å; L71-I75 PolarHBondContact O-N 3.14Å; L71-L88 HydrophobicContact CD1-CD1 4.14Å; L71-L88 HydrophobicContact CD2-CD1 4.27Å; L71-L115 HydrophobicContact CB-CD1 3.86Å; L71-L115 HydrophobicContact CB-CD2 3.86Å; L71-L115 HydrophobicContact CD1-CD2 4Å |
| 72 | K | 92.6 | Very high | 90 | Very high | 31 Ų | 31 | 40 Ų | 40 | 14% | 0.135 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -50.3 | 172.9 | -72.6 | 175.5 | -179.4 | 169.7 | 0 | 110.8 | V68 K69 V70 F74 I75 D76 S111 L115 I118 | V68-K72 HydrophobicContact CG1-CD 4.4Å; V68-K72 WeakPolarHBondContact O-CG 3.14Å; V68-K72 PolarHBondContact O-N 3.41Å; K69-K72 PolarHBondContact O-N 3.47Å; V70-K72 PolarHBondContact O-N 3.21Å; K72-F74 VanDerWaalsContact C-N 3.29Å; K72-F74 PolarHBondContact O-N 3.08Å; K72-I75 PolarHBondContact O-N 3.22Å; K72-D76 PolarHBondContact O-N 3.22Å; K72-S111 WeakPolarHBondContact CE-O 3.27Å; K72-S111 PolarHBondContact NZ-O 2.84Å; K72-S111 PolarHBondContact NZ-OG 3.27Å; K72-L115 HydrophobicContact CB-CD1 4.46Å; K72-L115 HydrophobicContact CG-CB 4.23Å; K72-L115 HydrophobicContact CG-CD1 3.69Å; K72-I118 HydrophobicContact CB-CD1 4.43Å; K72-I118 HydrophobicContact CD-CD1 3.95Å; K72-I118 HydrophobicContact CG-CD1 3.9Å |
| 73 | L | 89.5 | Confident | 89.7 | Confident | 45 Ų | 45 | 39.7 Ų | 39.7 | 24% | 0.236 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -41.2 | 176.5 | -178.4 | 62.8 | 0 | 0 | 0 | 111.9 | E31 L34 K69 V70 I75 D76 V77 | E31-L73 HydrophobicContact CG-CD2 4.09Å; L34-L73 HydrophobicContact CB-CD2 3.7Å; L34-L73 HydrophobicContact CB-CG 3.93Å; K69-L73 PolarHBondContact O-N 3.46Å; V70-L73 PolarHBondContact O-N 3.43Å; L73-I75 PolarHBondContact O-N 3.39Å; L73-D76 PolarHBondContact O-N 3.38Å; L73-V77 HydrophobicContact CD1-CG2 4.22Å; L73-V77 WeakPolarHBondContact O-CG2 3.35Å; L73-V77 PolarHBondContact O-N 3.29Å |
| 74 | F | 88.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 176.1 | 174.4 | -94.1 | 0 | 0 | 0 | 112 | L34 F45 V48 A49 L52 V70 L71 K72 D76 V77 T78 V84 | L34-F74 HydrophobicContact CD1-CB 3.88Å; L34-F74 HydrophobicContact CD1-CD2 4.34Å; L34-F74 HydrophobicContact CD2-CD2 4.25Å; F45-F74 HydrophobicContact CB-CE2 4.24Å; F45-F74 HydrophobicContact CB-CZ 3.97Å; F45-F74 HydrophobicContact CD1-CD2 4.09Å; F45-F74 AromaticContact CD1-CE2 3.36Å; F45-F74 HydrophobicContact CD1-CE2 3.36Å; F45-F74 AromaticContact CD1-CZ 3.71Å; F45-F74 HydrophobicContact CD1-CZ 3.71Å; F45-F74 HydrophobicContact CE1-CD2 4.47Å; F45-F74 HydrophobicContact CE1-CE2 4.13Å; F45-F74 HydrophobicContact CG-CE2 4.27Å; F45-F74 HydrophobicContact CG-CZ 4.34Å; F45-F74 VanDerWaalsContact O-CZ 3.27Å; F45-F74 WeakPolarHBondContact O-CZ 3.36Å; V48-F74 HydrophobicContact CB-CE2 3.9Å; V48-F74 HydrophobicContact CG1-CD2 3.76Å; V48-F74 HydrophobicContact CG1-CE2 3.49Å; V48-F74 VanDerWaalsContact CG1-CE2 3.49Å; V48-F74 HydrophobicContact CG1-CZ 4.48Å; A49-F74 HydrophobicContact CB-CE1 3.84Å; A49-F74 HydrophobicContact CB-CZ 3.7Å; L52-F74 HydrophobicContact CD1-CB 4.29Å; L52-F74 HydrophobicContact CD1-CD2 4.01Å; L52-F74 HydrophobicContact CD1-CG 4.15Å; V70-F74 VanDerWaalsContact O-CB 3.28Å; V70-F74 WeakPolarHBondContact O-CB 3.07Å; V70-F74 PolarHBondContact O-N 3.46Å; L71-F74 WeakPolarHBondContact O-CB 3.24Å; L71-F74 PolarHBondContact O-N 3.21Å; K72-F74 VanDerWaalsContact C-N 3.29Å; K72-F74 PolarHBondContact O-N 3.08Å; F74-D76 VanDerWaalsContact C-N 3.32Å; F74-D76 PolarHBondContact O-N 3.12Å; F74-V77 PolarHBondContact O-N 3.27Å; F74-T78 WeakPolarHBondContact O-CB 3.3Å; F74-T78 PolarHBondContact O-N 2.93Å; F74-T78 PolarHBondContact O-OG1 3.37Å; F74-V84 HydrophobicContact CE1-CG1 3.97Å; F74-V84 HydrophobicContact CE1-CG2 3.81Å; F74-V84 HydrophobicContact CZ-CG2 4.16Å |
| 75 | I | 89 | Confident | 89.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 176.1 | -70.5 | 167.8 | 0 | 0 | 0 | 111.4 | L71 K72 L73 T78 V81 L88 L115 I118 L119 R122 | L71-I75 WeakPolarHBondContact O-CG1 3.41Å; L71-I75 PolarHBondContact O-N 3.14Å; K72-I75 PolarHBondContact O-N 3.22Å; L73-I75 PolarHBondContact O-N 3.39Å; I75-T78 PolarHBondContact O-N 3.38Å; I75-V81 HydrophobicContact CG2-CG1 4.14Å; I75-L88 HydrophobicContact CD1-CD2 4.06Å; I75-L115 HydrophobicContact CD1-CD1 3.42Å; I75-L115 VanDerWaalsContact CD1-CD1 3.42Å; I75-L115 HydrophobicContact CD1-CG 4.44Å; I75-I118 HydrophobicContact CG2-CG2 3.91Å; I75-L119 HydrophobicContact CD1-CB 4.11Å; I75-L119 HydrophobicContact CD1-CD1 3.76Å; I75-L119 HydrophobicContact CG1-CD1 4.21Å; I75-R122 HydrophobicContact CG2-CB 4.28Å; I75-R122 HydrophobicContact CG2-CG 3.84Å |
| 76 | D | 85.6 | Confident | 89 | Confident | 96 Ų | 96 | 36.6 Ų | 36.6 | 51% | 0.513 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.7 | -35.5 | -179.2 | -70 | -23.6 | 0 | 0 | 0 | 112.5 | K72 L73 F74 | K72-D76 PolarHBondContact O-N 3.22Å; L73-D76 PolarHBondContact O-N 3.38Å; F74-D76 VanDerWaalsContact C-N 3.32Å; F74-D76 PolarHBondContact O-N 3.12Å |
| 77 | V | 84.4 | Confident | 88.8 | Confident | 30 Ų | 30 | 38.1 Ų | 38.1 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -83.7 | -21.8 | 179 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | L73 F74 | L73-V77 HydrophobicContact CD1-CG2 4.22Å; L73-V77 WeakPolarHBondContact O-CG2 3.35Å; L73-V77 PolarHBondContact O-N 3.29Å; F74-V77 PolarHBondContact O-N 3.27Å |
| 78 | T | 83.9 | Confident | 88.7 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | trans | -76.2 | 124.4 | -180 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | F45 F74 I75 D80 V81 R122 | F45-T78 HydrophobicContact CD1-CG2 4.35Å; F45-T78 VanDerWaalsContact CD1-OG1 3.27Å; F45-T78 WeakPolarHBondContact CD1-OG1 3.38Å; F45-T78 HydrophobicContact CG-CG2 4.42Å; F74-T78 WeakPolarHBondContact O-CB 3.3Å; F74-T78 PolarHBondContact O-N 2.93Å; F74-T78 PolarHBondContact O-OG1 3.37Å; I75-T78 PolarHBondContact O-N 3.38Å; T78-D80 WeakPolarHBondContact CG2-O 3.2Å; T78-V81 HydrophobicContact CG2-CG1 4.41Å; T78-R122 PolarHBondContact O-NH2 3.33Å | ||
| 79 | N | 79.6 | Confident | 88.7 | Confident | 110 Ų | 110 | 38.2 Ų | 38.2 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -67.2 | -50.1 | 179.7 | -71.4 | -33 | 0 | 0 | 0 | 112.8 | R122 | N79-R122 PolarHBondContact O-NH2 3.38Š|
| 80 | D | 82.6 | Confident | 88.6 | Confident | 92 Ų | 92 | 35.9 Ų | 35.9 | 49% | 0.492 | 21% | 0.205 | S | C | . | . | trans | -119.8 | 114 | 178.1 | 175.7 | 18.2 | 0 | 0 | 0 | 109.8 | T78 T82 | T78-D80 WeakPolarHBondContact CG2-O 3.2Å; D80-T82 WeakPolarHBondContact OD1-CB 3.35Å; D80-T82 PolarHBondContact OD1-N 3.17Å; D80-T82 PolarHBondContact OD1-OG1 3.17Å | ||
| 81 | V | 87.8 | Confident | 88.6 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | trans | -85.8 | -10.7 | -177.5 | -62.3 | 0 | 0 | 0 | 0 | 113 | I75 T78 P83 V84 L85 R122 | I75-V81 HydrophobicContact CG2-CG1 4.14Å; T78-V81 HydrophobicContact CG2-CG1 4.41Å; V81-P83 VanDerWaalsContact C-CD 3.49Å; V81-V84 WeakPolarHBondContact O-CA 3.27Å; V81-V84 VanDerWaalsContact O-CB 3.29Å; V81-V84 WeakPolarHBondContact O-CB 3.49Å; V81-V84 PolarHBondContact O-N 3.29Å; V81-L85 PolarHBondContact O-N 2.75Å; V81-R122 HydrophobicContact CG1-CB 4.09Å; V81-R122 HydrophobicContact CG2-CB 4.06Å; V81-R122 VanDerWaalsContact CG2-O 3.28Å; V81-R122 WeakPolarHBondContact CG2-O 3.2Å | ||
| 82 | T | 86.8 | Confident | 88.7 | Confident | 78 Ų | 78 | 37 Ų | 37 | 48% | 0.479 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -48.9 | -47.4 | -177.6 | -50.6 | 0 | 0 | 0 | 0 | 114 | D80 V84 L85 P86 | D80-T82 WeakPolarHBondContact OD1-CB 3.35Å; D80-T82 PolarHBondContact OD1-N 3.17Å; D80-T82 PolarHBondContact OD1-OG1 3.17Å; T82-V84 PolarHBondContact O-N 3.17Å; T82-L85 PolarHBondContact O-N 3.21Å; T82-P86 WeakPolarHBondContact O-CD 3.26Å |
| 83 | P | 85.3 | Confident | 88.7 | Confident | 59 Ų | 59 | 36.4 Ų | 36.4 | 38% | 0.383 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -69.3 | -17.2 | 178.3 | 26.5 | -35.1 | 0 | 0 | 0 | 114.3 | V81 | V81-P83 VanDerWaalsContact C-CD 3.49Š|
| 84 | V | 86.9 | Confident | 88.8 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -83.7 | -28 | 179.7 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | A49 F74 V81 T82 L87 L88 | A49-V84 HydrophobicContact CB-CB 4.47Å; A49-V84 HydrophobicContact CB-CG1 3.93Å; A49-V84 HydrophobicContact CB-CG2 4.11Å; F74-V84 HydrophobicContact CE1-CG1 3.97Å; F74-V84 HydrophobicContact CE1-CG2 3.81Å; F74-V84 HydrophobicContact CZ-CG2 4.16Å; V81-V84 WeakPolarHBondContact O-CA 3.27Å; V81-V84 VanDerWaalsContact O-CB 3.29Å; V81-V84 WeakPolarHBondContact O-CB 3.49Å; V81-V84 PolarHBondContact O-N 3.29Å; T82-V84 PolarHBondContact O-N 3.17Å; V84-L87 WeakPolarHBondContact O-CB 3.38Å; V84-L87 PolarHBondContact O-N 2.76Å; V84-L87 VanDerWaalsContact O-N 3.07Å; V84-L88 HydrophobicContact CG1-CB 4.19Å; V84-L88 HydrophobicContact CG1-CD2 4.4Å; V84-L88 PolarHBondContact O-N 3.13Å |
| 85 | L | 91.4 | Very high | 89 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.1 | -48.8 | -174.8 | -60.5 | 170.7 | 0 | 0 | 0 | 113.6 | V81 T82 L87 L88 V89 L119 T123 F129 | V81-L85 PolarHBondContact O-N 2.75Å; T82-L85 PolarHBondContact O-N 3.21Å; L85-L87 PolarHBondContact O-N 2.98Å; L85-L87 VanDerWaalsContact O-N 3.15Å; L85-L88 PolarHBondContact O-N 2.94Å; L85-V89 HydrophobicContact CB-CG2 4.28Å; L85-V89 HydrophobicContact CD2-CG2 4.23Å; L85-V89 VanDerWaalsContact O-CB 3.31Å; L85-V89 WeakPolarHBondContact O-CB 3.31Å; L85-V89 VanDerWaalsContact O-CG2 3.29Å; L85-V89 WeakPolarHBondContact O-CG2 3.38Å; L85-V89 PolarHBondContact O-N 3.43Å; L85-L119 HydrophobicContact CD2-CD1 3.69Å; L85-L119 HydrophobicContact CD2-CD2 3.88Å; L85-L119 HydrophobicContact CD2-CG 3.69Å; L85-T123 HydrophobicContact CD1-CG2 3.62Å; L85-T123 WeakPolarHBondContact CD2-OG1 3.48Å; L85-F129 HydrophobicContact CB-CD2 3.92Å; L85-F129 HydrophobicContact CB-CE2 3.36Å; L85-F129 HydrophobicContact CB-CZ 3.85Å; L85-F129 HydrophobicContact CD1-CD2 4.19Å; L85-F129 HydrophobicContact CD1-CE2 4.08Å; L85-F129 HydrophobicContact CG-CE2 4.33Å |
| 86 | P | 91.3 | Very high | 89.2 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.4 | -21.3 | 180 | -16.7 | 29.6 | 0 | 0 | 0 | 113.6 | T82 P90 F129 | T82-P86 WeakPolarHBondContact O-CD 3.26Å; P86-P90 VanDerWaalsContact O-CD 3.26Å; P86-P90 WeakPolarHBondContact O-CD 3.34Å; P86-P90 VanDerWaalsContact O-CG 3.31Å; P86-P90 WeakPolarHBondContact O-CG 3.45Å; P86-F129 HydrophobicContact CB-CZ 4.14Å; P86-F129 HydrophobicContact CG-CZ 3.93Å |
| 87 | L | 90.2 | Very high | 89.5 | Confident | 53 Ų | 53 | 35.2 Ų | 35.2 | 28% | 0.277 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -87.1 | -38.8 | 179.4 | -58.3 | 173.6 | 0 | 0 | 0 | 111.5 | A49 E50 V84 L85 | A49-L87 HydrophobicContact CB-CD1 4.07Å; E50-L87 HydrophobicContact CB-CD1 4.16Å; E50-L87 HydrophobicContact CB-CD2 4.38Å; E50-L87 HydrophobicContact CG-CD2 4.27Å; V84-L87 WeakPolarHBondContact O-CB 3.38Å; V84-L87 PolarHBondContact O-N 2.76Å; V84-L87 VanDerWaalsContact O-N 3.07Å; L85-L87 PolarHBondContact O-N 2.98Å; L85-L87 VanDerWaalsContact O-N 3.15Å |
| 88 | L | 92.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -93 | -41.7 | -172.4 | -173.1 | 60 | 0 | 0 | 0 | 113 | A53 L56 L71 I75 V84 L85 V91 L92 L119 | A53-L88 HydrophobicContact CB-CD1 3.93Å; L56-L88 HydrophobicContact CD1-CD1 4.02Å; L71-L88 HydrophobicContact CD1-CD1 4.14Å; L71-L88 HydrophobicContact CD2-CD1 4.27Å; I75-L88 HydrophobicContact CD1-CD2 4.06Å; V84-L88 HydrophobicContact CG1-CB 4.19Å; V84-L88 HydrophobicContact CG1-CD2 4.4Å; V84-L88 PolarHBondContact O-N 3.13Å; L85-L88 PolarHBondContact O-N 2.94Å; L88-V91 PolarHBondContact O-N 3.03Å; L88-V91 VanDerWaalsContact O-N 3.17Å; L88-L92 HydrophobicContact CD1-CG 4.36Å; L88-L92 HydrophobicContact CD2-CD1 4.43Å; L88-L92 HydrophobicContact CG-CD1 3.94Å; L88-L92 HydrophobicContact CG-CG 4.22Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 2.89Å; L88-L119 HydrophobicContact CD2-CD1 4.26Å; L88-L119 HydrophobicContact CD2-CD2 3.96Å; L88-L119 HydrophobicContact CG-CD2 4.37Å |
| 89 | V | 94.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.1 | -47.5 | -175.1 | 176 | 0 | 0 | 0 | 0 | 112.1 | L85 V91 L92 V93 L119 F129 D132 Y133 | L85-V89 HydrophobicContact CB-CG2 4.28Å; L85-V89 HydrophobicContact CD2-CG2 4.23Å; L85-V89 VanDerWaalsContact O-CB 3.31Å; L85-V89 WeakPolarHBondContact O-CB 3.31Å; L85-V89 VanDerWaalsContact O-CG2 3.29Å; L85-V89 WeakPolarHBondContact O-CG2 3.38Å; L85-V89 PolarHBondContact O-N 3.43Å; V89-V91 VanDerWaalsContact C-N 3.26Å; V89-V91 PolarHBondContact O-N 2.93Å; V89-L92 WeakPolarHBondContact O-CB 3.47Å; V89-L92 PolarHBondContact O-N 3.23Å; V89-V93 HydrophobicContact CG1-CG2 4.03Å; V89-V93 VanDerWaalsContact O-CG2 3.31Å; V89-V93 WeakPolarHBondContact O-CG2 3.38Å; V89-V93 PolarHBondContact O-N 2.9Å; V89-L119 HydrophobicContact CG2-CD2 3.99Å; V89-F129 HydrophobicContact CB-CD1 3.8Å; V89-F129 HydrophobicContact CB-CE1 4.12Å; V89-F129 HydrophobicContact CB-CG 4.32Å; V89-F129 HydrophobicContact CG1-CB 4.16Å; V89-F129 HydrophobicContact CG1-CD1 3.63Å; V89-F129 HydrophobicContact CG1-CE1 4.39Å; V89-F129 HydrophobicContact CG1-CG 4.13Å; V89-F129 HydrophobicContact CG2-CD1 4.1Å; V89-F129 HydrophobicContact CG2-CE1 4.49Å; V89-F129 HydrophobicContact CG2-CG 4.13Å; V89-D132 HydrophobicContact CG1-CB 3.88Å; V89-Y133 HydrophobicContact CG1-CD1 4.41Å; V89-Y133 HydrophobicContact CG1-CE1 3.88Å; V89-Y133 HydrophobicContact CG2-CE1 3.79Å |
| 90 | P | 92.7 | Very high | 90.1 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 178.2 | -26.3 | 36.9 | 0 | 0 | 0 | 113.3 | P86 V93 M94 | P86-P90 VanDerWaalsContact O-CD 3.26Å; P86-P90 WeakPolarHBondContact O-CD 3.34Å; P86-P90 VanDerWaalsContact O-CG 3.31Å; P86-P90 WeakPolarHBondContact O-CG 3.45Å; P90-V93 PolarHBondContact O-N 3.38Å; P90-M94 WeakPolarHBondContact O-CB 3.34Å; P90-M94 PolarHBondContact O-N 3.49Å |
| 91 | V | 92.6 | Very high | 90.1 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 111 | A53 L56 L88 V89 M94 R95 | A53-V91 HydrophobicContact CB-CG2 4.18Å; L56-V91 HydrophobicContact CB-CG1 4.23Å; L56-V91 HydrophobicContact CD1-CG1 4.02Å; L88-V91 PolarHBondContact O-N 3.03Å; L88-V91 VanDerWaalsContact O-N 3.17Å; V89-V91 VanDerWaalsContact C-N 3.26Å; V89-V91 PolarHBondContact O-N 2.93Å; V91-M94 PolarHBondContact O-N 2.95Å; V91-R95 WeakPolarHBondContact O-CG 3.39Å; V91-R95 PolarHBondContact O-N 3.18Å; V91-R95 VanDerWaalsContact O-N 3.14Å |
| 92 | L | 94.2 | Very high | 90 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 175.7 | -64.5 | 175.2 | 0 | 0 | 0 | 111.8 | L56 L88 V89 R95 L96 T112 L115 L116 L119 | L56-L92 HydrophobicContact CD1-CD2 4.05Å; L88-L92 HydrophobicContact CD1-CG 4.36Å; L88-L92 HydrophobicContact CD2-CD1 4.43Å; L88-L92 HydrophobicContact CG-CD1 3.94Å; L88-L92 HydrophobicContact CG-CG 4.22Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 2.89Å; V89-L92 WeakPolarHBondContact O-CB 3.47Å; V89-L92 PolarHBondContact O-N 3.23Å; L92-R95 PolarHBondContact O-N 3.11Å; L92-L96 WeakPolarHBondContact O-CB 3.45Å; L92-L96 PolarHBondContact O-N 3.17Å; L92-T112 HydrophobicContact CD2-CG2 3.66Å; L92-L115 HydrophobicContact CD2-CD2 4.13Å; L92-L116 HydrophobicContact CD1-CB 4.21Å; L92-L116 HydrophobicContact CD1-CD1 3.88Å; L92-L119 HydrophobicContact CD1-CD2 4.04Å |
| 93 | V | 94.5 | Very high | 90.1 | Very high | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.3 | 175.5 | 0 | 0 | 0 | 0 | 111 | V89 P90 R95 G97 D132 V136 | V89-V93 HydrophobicContact CG1-CG2 4.03Å; V89-V93 VanDerWaalsContact O-CG2 3.31Å; V89-V93 WeakPolarHBondContact O-CG2 3.38Å; V89-V93 PolarHBondContact O-N 2.9Å; P90-V93 PolarHBondContact O-N 3.38Å; V93-R95 PolarHBondContact O-N 3.41Å; V93-G97 VanDerWaalsContact O-CA 3.25Å; V93-G97 WeakPolarHBondContact O-CA 3.36Å; V93-G97 PolarHBondContact O-N 3.24Å; V93-D132 HydrophobicContact CG2-CB 3.53Å; V93-V136 HydrophobicContact CB-CG2 4.47Å; V93-V136 HydrophobicContact CG2-CG2 4.1Å |
| 94 | M | 91.6 | Very high | 90.2 | Very high | 76 Ų | 76 | 53.9 Ų | 53.9 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.3 | -38.3 | 175.4 | -171.4 | -169.6 | 73.6 | 0 | 0 | 111.4 | N57 P90 V91 Q98 I102 | N57-M94 WeakPolarHBondContact ND2-CE 3.32Å; N57-M94 VanDerWaalsContact OD1-CE 3.28Å; N57-M94 WeakPolarHBondContact OD1-CE 3.35Å; P90-M94 WeakPolarHBondContact O-CB 3.34Å; P90-M94 PolarHBondContact O-N 3.49Å; V91-M94 PolarHBondContact O-N 2.95Å; M94-Q98 WeakPolarHBondContact O-CG 3.3Å; M94-I102 HydrophobicContact CG-CD1 4.39Å; M94-I102 WeakPolarHBondContact O-CD1 3.44Å |
| 95 | R | 91.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 5% | 0.045 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -84.1 | -36.6 | -176 | -68.3 | 176 | 64.8 | 71.4 | 3.3 | 114.1 | L56 N57 V91 L92 V93 E103 | L56-R95 PolarHBondContact O-NH1 2.83Å; L56-R95 PolarHBondContact O-NH2 3.36Å; N57-R95 WeakPolarHBondContact OD1-CD 3.26Å; N57-R95 PolarHBondContact OD1-NH1 3.45Å; V91-R95 WeakPolarHBondContact O-CG 3.39Å; V91-R95 PolarHBondContact O-N 3.18Å; V91-R95 VanDerWaalsContact O-N 3.14Å; L92-R95 PolarHBondContact O-N 3.11Å; V93-R95 PolarHBondContact O-N 3.41Å; R95-E103 IonicContact CZ-OE2 3.78Å; R95-E103 IonicContact NH2-OE2 2.89Å; R95-E103 PolarHBondContact NH2-OE2 3.22Å |
| 96 | L | 93.9 | Very high | 90.7 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -112.8 | -22.2 | -170.7 | -61.3 | 175.9 | 0 | 0 | 0 | 114.3 | L92 T112 L113 V136 K139 T140 | L92-L96 WeakPolarHBondContact O-CB 3.45Å; L92-L96 PolarHBondContact O-N 3.17Å; L96-T112 HydrophobicContact CD1-CG2 3.88Å; L96-T112 HydrophobicContact CG-CG2 4.24Å; L96-L113 HydrophobicContact CD1-CB 4.15Å; L96-L113 HydrophobicContact CD1-CD1 4.18Å; L96-V136 HydrophobicContact CB-CG1 3.69Å; L96-V136 HydrophobicContact CB-CG2 4.32Å; L96-V136 HydrophobicContact CD1-CG1 4.17Å; L96-K139 WeakPolarHBondContact O-CB 3.45Å; L96-T140 HydrophobicContact CB-CG2 4.37Å |
| 97 | G | 90.9 | Very high | 90.9 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -99.5 | -4.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V93 K139 | V93-G97 VanDerWaalsContact O-CA 3.25Å; V93-G97 WeakPolarHBondContact O-CA 3.36Å; V93-G97 PolarHBondContact O-N 3.24Å; G97-K139 WeakPolarHBondContact O-CG 3.28Å |
| 98 | Q | 90 | Very high | 91.1 | Very high | 95 Ų | 95 | 60 Ų | 60 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -75.5 | 164.3 | -179.8 | -63.4 | -60.9 | -37.3 | 0 | 0 | 112.6 | M94 E100 I102 | M94-Q98 WeakPolarHBondContact O-CG 3.3Å; Q98-E100 VanDerWaalsContact C-N 3.32Å; Q98-E100 PolarHBondContact O-N 3.37Å; Q98-I102 HydrophobicContact CG-CD1 4.33Å |
| 99 | K | 85.7 | Confident | 91.2 | Very high | 187 Ų | 187 | 60.7 Ų | 60.7 | 81% | 0.813 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -65.6 | -37 | 179.8 | -172.9 | -180 | 177.4 | -174.3 | 0 | 112.2 | ||
| 100 | E | 85.1 | Confident | 91.4 | Very high | 160 Ų | 160 | 63.9 Ų | 63.9 | 75% | 0.748 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -100.3 | 143 | 178.4 | -67.3 | 174.2 | -171.4 | 0 | 0 | 109.9 | Q98 I102 | Q98-E100 VanDerWaalsContact C-N 3.32Å; Q98-E100 PolarHBondContact O-N 3.37Å; E100-I102 PolarHBondContact O-N 3.39Å |
| 101 | I | 82.7 | Confident | 91.6 | Very high | 90 Ų | 90 | 62.1 Ų | 62.1 | 46% | 0.462 | 30% | 0.3 | S | S | . | . | trans | -74.5 | 107 | 178 | -65.7 | 161 | 0 | 0 | 0 | 108 | E103 | I101-E103 WeakPolarHBondContact CG2-O 3.39Š| ||
| 102 | I | 85.9 | Confident | 91.7 | Very high | 73 Ų | 73 | 61 Ų | 61 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | trans | -75.3 | -45.2 | 178.8 | -55.9 | -168 | 0 | 0 | 0 | 111.1 | M94 Q98 E100 H104 | M94-I102 HydrophobicContact CG-CD1 4.39Å; M94-I102 WeakPolarHBondContact O-CD1 3.44Å; Q98-I102 HydrophobicContact CG-CD1 4.33Å; E100-I102 PolarHBondContact O-N 3.39Å; I102-H104 PolarHBondContact O-ND1 2.68Å; I102-H104 VanDerWaalsContact O-ND1 3.11Å | ||
| 103 | E | 90.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | trans | -87.7 | 115.2 | 178 | 179.1 | 57.7 | -107.9 | 0 | 0 | 110.9 | R64 R95 I101 S105 I108 R109 | R64-E103 IonicContact CZ-OE1 2.68Å; R64-E103 IonicContact CZ-OE2 3.46Å; R64-E103 IonicContact NE-OE1 3.87Å; R64-E103 IonicContact NE-OE2 3.33Å; R64-E103 PolarHBondContact NE-OE2 2.9Å; R64-E103 IonicContact NH2-OE1 3.48Å; R64-E103 PolarHBondContact NH2-OE1 3.3Å; R64-E103 VanDerWaalsContact NH2-OE1 3.1Å; R64-E103 IonicContact NH2-OE2 2.76Å; R64-E103 PolarHBondContact NH2-OE2 2.88Å; R95-E103 IonicContact CZ-OE2 3.78Å; R95-E103 IonicContact NH2-OE2 2.89Å; R95-E103 PolarHBondContact NH2-OE2 3.22Å; I101-E103 WeakPolarHBondContact CG2-O 3.39Å; E103-S105 WeakPolarHBondContact OE1-CB 3.11Å; E103-S105 PolarHBondContact OE1-N 2.9Å; E103-S105 VanDerWaalsContact OE1-N 3.08Å; E103-I108 HydrophobicContact CG-CB 3.9Å; E103-I108 HydrophobicContact CG-CG2 3.79Å; E103-R109 HydrophobicContact CB-CG 3.74Å; E103-R109 HydrophobicContact CG-CG 3.69Å; E103-R109 WeakPolarHBondContact O-CD 3.46Å; E103-R109 WeakPolarHBondContact O-CG 3.5Å | ||
| 104 | H | 87 | Confident | 92 | Very high | 162 Ų | 162 | 61.9 Ų | 61.9 | 75% | 0.75 | 30% | 0.297 | S | S | * | . | trans | -81.8 | -30.6 | -175.9 | -65.1 | 67.8 | 0 | 0 | 0 | 112.2 | I102 E106 | I102-H104 PolarHBondContact O-ND1 2.68Å; I102-H104 VanDerWaalsContact O-ND1 3.11Å; H104-E106 PolarHBondContact O-N 2.83Å | ||
| 105 | S | 93.9 | Very high | 92.3 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | trans | -75.1 | 115 | -179.1 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | E61 E103 E107 I108 R109 | E61-S105 WeakPolarHBondContact OE1-CB 3.4Å; E61-S105 PolarHBondContact OE1-OG 3.43Å; E103-S105 WeakPolarHBondContact OE1-CB 3.11Å; E103-S105 PolarHBondContact OE1-N 2.9Å; E103-S105 VanDerWaalsContact OE1-N 3.08Å; S105-E107 VanDerWaalsContact C-N 3.3Å; S105-E107 PolarHBondContact O-N 3.03Å; S105-I108 PolarHBondContact O-N 3.25Å; S105-R109 PolarHBondContact O-N 3.28Å | ||
| 106 | E | 94.4 | Very high | 92.5 | Very high | 96 Ų | 96 | 57.8 Ų | 57.8 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.4 | -34.5 | -177.1 | 63.3 | -171.8 | -166.3 | 0 | 0 | 113 | H104 R109 Y110 Y145 | H104-E106 PolarHBondContact O-N 2.83Å; E106-R109 PolarHBondContact O-N 3.35Å; E106-Y110 WeakPolarHBondContact O-CB 2.82Å; E106-Y110 PolarHBondContact O-N 3.25Å; E106-Y145 HydrophobicContact CB-CD1 3.79Å; E106-Y145 HydrophobicContact CB-CE1 4.39Å; E106-Y145 HydrophobicContact CB-CG 3.92Å; E106-Y145 HydrophobicContact CG-CD1 4.23Å; E106-Y145 HydrophobicContact CG-CE1 4.41Å; E106-Y145 HydrophobicContact CG-CG 4.32Å |
| 107 | E | 94.6 | Very high | 92.6 | Very high | 136 Ų | 136 | 60.4 Ų | 60.4 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.2 | -39.9 | 174.2 | -63.4 | -165.8 | 170.6 | 0 | 0 | 111.8 | S105 Y110 S111 | S105-E107 VanDerWaalsContact C-N 3.3Å; S105-E107 PolarHBondContact O-N 3.03Å; E107-Y110 PolarHBondContact O-N 3.07Å; E107-S111 VanDerWaalsContact O-CB 3.3Å; E107-S111 WeakPolarHBondContact O-CB 3.38Å; E107-S111 PolarHBondContact O-N 3.04Å |
| 108 | I | 95 | Very high | 92.8 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.3 | -38.9 | 176.7 | -61 | -177.3 | 0 | 0 | 0 | 110.7 | E61 R64 E65 E103 S105 Y110 S111 T112 | E61-I108 HydrophobicContact CB-CD1 4.5Å; E61-I108 HydrophobicContact CG-CD1 3.35Å; R64-I108 HydrophobicContact CB-CD1 4.48Å; E65-I108 HydrophobicContact CB-CD1 4.23Å; E65-I108 HydrophobicContact CB-CG1 4.46Å; E103-I108 HydrophobicContact CG-CB 3.9Å; E103-I108 HydrophobicContact CG-CG2 3.79Å; S105-I108 PolarHBondContact O-N 3.25Å; I108-Y110 VanDerWaalsContact C-N 3.34Å; I108-Y110 PolarHBondContact O-N 3.03Å; I108-S111 PolarHBondContact O-N 3.46Å; I108-T112 VanDerWaalsContact O-CB 3.27Å; I108-T112 WeakPolarHBondContact O-CB 3.23Å; I108-T112 PolarHBondContact O-N 3.46Å; I108-T112 PolarHBondContact O-OG1 2.92Å |
| 109 | R | 95.4 | Very high | 93 | Very high | 17 Ų | 17 | 57 Ų | 57 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 172 | -74.1 | -167.5 | -61.7 | 177.3 | 11.5 | 111.3 | E103 S105 E106 S111 T112 L113 D143 V148 | E103-R109 HydrophobicContact CB-CG 3.74Å; E103-R109 HydrophobicContact CG-CG 3.69Å; E103-R109 WeakPolarHBondContact O-CD 3.46Å; E103-R109 WeakPolarHBondContact O-CG 3.5Å; S105-R109 PolarHBondContact O-N 3.28Å; E106-R109 PolarHBondContact O-N 3.35Å; R109-S111 PolarHBondContact O-N 3.29Å; R109-T112 PolarHBondContact O-N 2.71Å; R109-L113 WeakPolarHBondContact O-CB 3.42Å; R109-L113 PolarHBondContact O-N 2.87Å; R109-D143 IonicContact CZ-OD1 2.65Å; R109-D143 VanDerWaalsContact CZ-OD1 3.3Å; R109-D143 IonicContact CZ-OD2 2.61Å; R109-D143 IonicContact NE-OD2 2.82Å; R109-D143 IonicContact NH1-OD1 2.86Å; R109-D143 IonicContact NH1-OD2 3.82Å; R109-D143 PolarHBondContact NH1-OD2 3.12Å; R109-D143 IonicContact NH2-OD1 3.97Å; R109-D143 PolarHBondContact NH2-OD1 2.86Å; R109-D143 IonicContact NH2-OD2 3.3Å; R109-D143 PolarHBondContact NH2-OD2 3.04Å; R109-V148 HydrophobicContact CB-CG2 4.34Å |
| 110 | Y | 97.3 | Very high | 93.4 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 175.2 | 173.8 | -98.6 | 0 | 0 | 0 | 111.7 | E106 E107 I108 T112 L113 N114 E147 L151 | E106-Y110 WeakPolarHBondContact O-CB 2.82Å; E106-Y110 PolarHBondContact O-N 3.25Å; E107-Y110 PolarHBondContact O-N 3.07Å; I108-Y110 VanDerWaalsContact C-N 3.34Å; I108-Y110 PolarHBondContact O-N 3.03Å; Y110-T112 VanDerWaalsContact C-N 3.33Å; Y110-T112 PolarHBondContact O-N 2.69Å; Y110-L113 PolarHBondContact O-N 3.01Å; Y110-N114 WeakPolarHBondContact O-CB 3.41Å; Y110-N114 PolarHBondContact O-N 3.43Å; Y110-E147 HydrophobicContact CD2-CB 3.76Å; Y110-E147 HydrophobicContact CE2-CB 3.95Å; Y110-E147 HydrophobicContact CG-CB 4.48Å; Y110-L151 HydrophobicContact CD2-CB 4.44Å; Y110-L151 HydrophobicContact CD2-CD2 3.95Å; Y110-L151 HydrophobicContact CE2-CB 4.09Å; Y110-L151 HydrophobicContact CE2-CD2 3.74Å |
| 111 | S | 96.8 | Very high | 93.8 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -37.6 | -179.2 | -164.5 | 0 | 0 | 0 | 0 | 112.3 | V68 K72 E107 I108 R109 N114 L115 | V68-S111 WeakPolarHBondContact CG1-O 3.41Å; V68-S111 VanDerWaalsContact CG1-OG 3.28Å; V68-S111 WeakPolarHBondContact CG1-OG 3.35Å; K72-S111 WeakPolarHBondContact CE-O 3.27Å; K72-S111 PolarHBondContact NZ-O 2.84Å; K72-S111 PolarHBondContact NZ-OG 3.27Å; E107-S111 VanDerWaalsContact O-CB 3.3Å; E107-S111 WeakPolarHBondContact O-CB 3.38Å; E107-S111 PolarHBondContact O-N 3.04Å; I108-S111 PolarHBondContact O-N 3.46Å; R109-S111 PolarHBondContact O-N 3.29Å; S111-N114 PolarHBondContact O-N 3.12Å; S111-L115 PolarHBondContact O-N 3Å |
| 112 | T | 95.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.9 | -40.3 | 176.3 | -52.9 | 0 | 0 | 0 | 0 | 111.1 | L92 L96 I108 R109 Y110 N114 L115 L116 | L92-T112 HydrophobicContact CD2-CG2 3.66Å; L96-T112 HydrophobicContact CD1-CG2 3.88Å; L96-T112 HydrophobicContact CG-CG2 4.24Å; I108-T112 VanDerWaalsContact O-CB 3.27Å; I108-T112 WeakPolarHBondContact O-CB 3.23Å; I108-T112 PolarHBondContact O-N 3.46Å; I108-T112 PolarHBondContact O-OG1 2.92Å; R109-T112 PolarHBondContact O-N 2.71Å; Y110-T112 VanDerWaalsContact C-N 3.33Å; Y110-T112 PolarHBondContact O-N 2.69Å; T112-N114 VanDerWaalsContact C-N 3.28Å; T112-N114 PolarHBondContact O-N 3.23Å; T112-L115 WeakPolarHBondContact O-CB 3.31Å; T112-L115 PolarHBondContact O-N 3.02Å; T112-L116 PolarHBondContact O-N 3.48Å; T112-L116 VanDerWaalsContact O-N 3.08Å |
| 113 | L | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -34 | 172.7 | -174.6 | 62 | 0 | 0 | 0 | 111.3 | L96 R109 Y110 L115 L116 Y117 V136 T140 V148 L151 I155 | L96-L113 HydrophobicContact CD1-CB 4.15Å; L96-L113 HydrophobicContact CD1-CD1 4.18Å; R109-L113 WeakPolarHBondContact O-CB 3.42Å; R109-L113 PolarHBondContact O-N 2.87Å; Y110-L113 PolarHBondContact O-N 3.01Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L116 HydrophobicContact CD1-CD2 4.09Å; L113-L116 WeakPolarHBondContact O-CB 3.37Å; L113-L116 PolarHBondContact O-N 3.45Å; L113-Y117 PolarHBondContact O-N 3.19Å; L113-V136 HydrophobicContact CD1-CG1 4.01Å; L113-T140 HydrophobicContact CD1-CG2 4.24Å; L113-T140 HydrophobicContact CD2-CG2 4.17Å; L113-V148 HydrophobicContact CD2-CG1 3.8Å; L113-L151 HydrophobicContact CB-CD2 3.99Å; L113-L151 HydrophobicContact CD2-CB 4.08Å; L113-L151 HydrophobicContact CD2-CD2 4.09Å; L113-L151 HydrophobicContact CD2-CG 4.07Å; L113-L151 HydrophobicContact CG-CD2 3.84Å; L113-L151 HydrophobicContact CG-CG 4.05Å; L113-I155 HydrophobicContact CD1-CD1 3.32Å; L113-I155 HydrophobicContact CD2-CD1 4.29Å; L113-I155 HydrophobicContact CG-CD1 3.59Å |
| 114 | N | 97.8 | Very high | 94.2 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.5 | -32.4 | 175 | -169.1 | 34 | 0 | 0 | 0 | 111.9 | Y110 S111 T112 L116 Y117 I118 L151 | Y110-N114 WeakPolarHBondContact O-CB 3.41Å; Y110-N114 PolarHBondContact O-N 3.43Å; S111-N114 PolarHBondContact O-N 3.12Å; T112-N114 VanDerWaalsContact C-N 3.28Å; T112-N114 PolarHBondContact O-N 3.23Å; N114-L116 VanDerWaalsContact C-N 3.33Å; N114-Y117 PolarHBondContact O-N 2.86Å; N114-I118 VanDerWaalsContact O-CG1 3.3Å; N114-I118 WeakPolarHBondContact O-CG1 3.33Å; N114-I118 PolarHBondContact O-N 3.48Å; N114-L151 HydrophobicContact CB-CD2 3.72Å |
| 115 | L | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 167.4 | 172.4 | 68 | 0 | 0 | 0 | 110.8 | L56 V68 L71 K72 I75 L92 S111 T112 L113 I118 L119 | L56-L115 HydrophobicContact CD1-CD2 4.47Å; V68-L115 HydrophobicContact CG1-CB 4.21Å; L71-L115 HydrophobicContact CB-CD1 3.86Å; L71-L115 HydrophobicContact CB-CD2 3.86Å; L71-L115 HydrophobicContact CD1-CD2 4Å; K72-L115 HydrophobicContact CB-CD1 4.46Å; K72-L115 HydrophobicContact CG-CB 4.23Å; K72-L115 HydrophobicContact CG-CD1 3.69Å; I75-L115 HydrophobicContact CD1-CD1 3.42Å; I75-L115 VanDerWaalsContact CD1-CD1 3.42Å; I75-L115 HydrophobicContact CD1-CG 4.44Å; L92-L115 HydrophobicContact CD2-CD2 4.13Å; S111-L115 PolarHBondContact O-N 3Å; T112-L115 WeakPolarHBondContact O-CB 3.31Å; T112-L115 PolarHBondContact O-N 3.02Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L115-I118 PolarHBondContact O-N 3.11Å; L115-L119 WeakPolarHBondContact O-CB 3.29Å; L115-L119 PolarHBondContact O-N 2.83Å |
| 116 | L | 96.1 | Very high | 94 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 173.9 | -179.6 | 64.6 | 0 | 0 | 0 | 112.1 | L92 T112 L113 N114 I118 L119 V120 Y133 V136 | L92-L116 HydrophobicContact CD1-CB 4.21Å; L92-L116 HydrophobicContact CD1-CD1 3.88Å; T112-L116 PolarHBondContact O-N 3.48Å; T112-L116 VanDerWaalsContact O-N 3.08Å; L113-L116 HydrophobicContact CD1-CD2 4.09Å; L113-L116 WeakPolarHBondContact O-CB 3.37Å; L113-L116 PolarHBondContact O-N 3.45Å; N114-L116 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 3.48Å; L116-L119 HydrophobicContact CD1-CD2 4.47Å; L116-L119 WeakPolarHBondContact O-CB 3.46Å; L116-L119 PolarHBondContact O-N 3.27Å; L116-V120 HydrophobicContact CD1-CG2 4.13Å; L116-V120 HydrophobicContact CG-CG2 4.33Å; L116-V120 WeakPolarHBondContact O-CG2 3.3Å; L116-V120 PolarHBondContact O-N 3.24Å; L116-Y133 HydrophobicContact CD1-CD1 3.72Å; L116-Y133 HydrophobicContact CD1-CE1 3.66Å; L116-V136 HydrophobicContact CD2-CB 4.21Å; L116-V136 HydrophobicContact CD2-CG1 3.72Å |
| 117 | Y | 97.2 | Very high | 93.7 | Very high | 70 Ų | 70 | 43.3 Ų | 43.3 | 28% | 0.275 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 176.4 | 175.1 | -108.8 | 0 | 0 | 0 | 112.3 | L113 N114 N121 L151 R154 I155 V158 | L113-Y117 PolarHBondContact O-N 3.19Å; N114-Y117 PolarHBondContact O-N 2.86Å; Y117-N121 WeakPolarHBondContact CE1-ND2 3.41Å; Y117-N121 WeakPolarHBondContact CE2-ND2 3.3Å; Y117-N121 PolarHBondContact O-N 3.37Å; Y117-N121 VanDerWaalsContact O-N 3.1Å; Y117-N121 PolarHBondContact O-ND2 3.36Å; Y117-L151 HydrophobicContact CD1-CD1 4.43Å; Y117-L151 HydrophobicContact CD2-CD1 4.46Å; Y117-L151 HydrophobicContact CG-CD1 4.1Å; Y117-R154 HydrophobicContact CE2-CB 4.23Å; Y117-I155 HydrophobicContact CD2-CG1 3.72Å; Y117-I155 HydrophobicContact CG-CG1 4.21Å; Y117-V158 HydrophobicContact CE2-CG2 3.71Å |
| 118 | I | 95.2 | Very high | 93.5 | Very high | 36 Ų | 36 | 40.9 Ų | 40.9 | 19% | 0.185 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 176 | -66.1 | 163.1 | 0 | 0 | 0 | 110.1 | K72 I75 N114 L115 L116 V120 N121 R122 | K72-I118 HydrophobicContact CB-CD1 4.43Å; K72-I118 HydrophobicContact CD-CD1 3.95Å; K72-I118 HydrophobicContact CG-CD1 3.9Å; I75-I118 HydrophobicContact CG2-CG2 3.91Å; N114-I118 VanDerWaalsContact O-CG1 3.3Å; N114-I118 WeakPolarHBondContact O-CG1 3.33Å; N114-I118 PolarHBondContact O-N 3.48Å; L115-I118 PolarHBondContact O-N 3.11Å; L116-I118 PolarHBondContact O-N 3.48Å; I118-V120 PolarHBondContact O-N 3.44Å; I118-N121 PolarHBondContact O-N 3.32Å; I118-R122 HydrophobicContact CG2-CG 4.46Å; I118-R122 WeakPolarHBondContact O-CG 3.46Å; I118-R122 PolarHBondContact O-N 3.04Å |
| 119 | L | 93.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.2 | -47.3 | 178.8 | -173.4 | 67.4 | 0 | 0 | 0 | 112.3 | I75 L85 L88 V89 L92 L115 L116 N121 R122 T123 | I75-L119 HydrophobicContact CD1-CB 4.11Å; I75-L119 HydrophobicContact CD1-CD1 3.76Å; I75-L119 HydrophobicContact CG1-CD1 4.21Å; L85-L119 HydrophobicContact CD2-CD1 3.69Å; L85-L119 HydrophobicContact CD2-CD2 3.88Å; L85-L119 HydrophobicContact CD2-CG 3.69Å; L88-L119 HydrophobicContact CD2-CD1 4.26Å; L88-L119 HydrophobicContact CD2-CD2 3.96Å; L88-L119 HydrophobicContact CG-CD2 4.37Å; V89-L119 HydrophobicContact CG2-CD2 3.99Å; L92-L119 HydrophobicContact CD1-CD2 4.04Å; L115-L119 WeakPolarHBondContact O-CB 3.29Å; L115-L119 PolarHBondContact O-N 2.83Å; L116-L119 HydrophobicContact CD1-CD2 4.47Å; L116-L119 WeakPolarHBondContact O-CB 3.46Å; L116-L119 PolarHBondContact O-N 3.27Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 3.29Å; L119-R122 PolarHBondContact O-N 2.91Å; L119-T123 PolarHBondContact O-N 2.93Å; L119-T123 VanDerWaalsContact O-N 3.16Å; L119-T123 PolarHBondContact O-OG1 2.91Å |
| 120 | V | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L116 I118 R122 T123 Y133 V158 L159 | L116-V120 HydrophobicContact CD1-CG2 4.13Å; L116-V120 HydrophobicContact CG-CG2 4.33Å; L116-V120 WeakPolarHBondContact O-CG2 3.3Å; L116-V120 PolarHBondContact O-N 3.24Å; I118-V120 PolarHBondContact O-N 3.44Å; V120-R122 VanDerWaalsContact C-N 3.31Å; V120-R122 PolarHBondContact O-N 3.3Å; V120-T123 PolarHBondContact O-N 2.96Å; V120-Y133 HydrophobicContact CG2-CD1 4.35Å; V120-Y133 HydrophobicContact CG2-CD2 4.27Å; V120-Y133 HydrophobicContact CG2-CE1 4.2Å; V120-Y133 HydrophobicContact CG2-CE2 4.14Å; V120-Y133 HydrophobicContact CG2-CG 4.38Å; V120-V158 HydrophobicContact CG1-CG1 3.79Å; V120-L159 HydrophobicContact CG1-CD2 3.57Å; V120-L159 HydrophobicContact CG1-CG 4.33Å; V120-L159 HydrophobicContact CG2-CD2 4.42Å |
| 121 | N | 93.3 | Very high | 93.3 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 32% | 0.316 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.4 | -29.4 | 176.9 | -80.7 | -57.3 | 0 | 0 | 0 | 113.5 | Y117 I118 L119 T123 V158 | Y117-N121 WeakPolarHBondContact CE1-ND2 3.41Å; Y117-N121 WeakPolarHBondContact CE2-ND2 3.3Å; Y117-N121 PolarHBondContact O-N 3.37Å; Y117-N121 VanDerWaalsContact O-N 3.1Å; Y117-N121 PolarHBondContact O-ND2 3.36Å; I118-N121 PolarHBondContact O-N 3.32Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 3.29Å; N121-T123 VanDerWaalsContact C-N 3.34Å; N121-V158 WeakPolarHBondContact OD1-CG1 3.38Å |
| 122 | R | 91.1 | Very high | 93.2 | Very high | 99 Ų | 99 | 42.6 Ų | 42.6 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -84.7 | -7.2 | 176.9 | -65.2 | -73.2 | -68.6 | 131.7 | 3.6 | 113.4 | I75 T78 N79 V81 I118 L119 V120 | I75-R122 HydrophobicContact CG2-CB 4.28Å; I75-R122 HydrophobicContact CG2-CG 3.84Å; T78-R122 PolarHBondContact O-NH2 3.33Å; N79-R122 PolarHBondContact O-NH2 3.38Å; V81-R122 HydrophobicContact CG1-CB 4.09Å; V81-R122 HydrophobicContact CG2-CB 4.06Å; V81-R122 VanDerWaalsContact CG2-O 3.28Å; V81-R122 WeakPolarHBondContact CG2-O 3.2Å; I118-R122 HydrophobicContact CG2-CG 4.46Å; I118-R122 WeakPolarHBondContact O-CG 3.46Å; I118-R122 PolarHBondContact O-N 3.04Å; L119-R122 PolarHBondContact O-N 2.91Å; V120-R122 VanDerWaalsContact C-N 3.31Å; V120-R122 PolarHBondContact O-N 3.3Å |
| 123 | T | 90.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | trans | -96.5 | 124 | -178 | -57 | 0 | 0 | 0 | 0 | 111 | L85 L119 V120 N121 E125 I126 | L85-T123 HydrophobicContact CD1-CG2 3.62Å; L85-T123 WeakPolarHBondContact CD2-OG1 3.48Å; L119-T123 PolarHBondContact O-N 2.93Å; L119-T123 VanDerWaalsContact O-N 3.16Å; L119-T123 PolarHBondContact O-OG1 2.91Å; V120-T123 PolarHBondContact O-N 2.96Å; N121-T123 VanDerWaalsContact C-N 3.34Å; T123-E125 WeakPolarHBondContact CG2-O 3.18Å; T123-I126 HydrophobicContact CG2-CG2 4.19Å | ||
| 124 | D | 86 | Confident | 93.1 | Very high | 153 Ų | 153 | 42.8 Ų | 42.8 | 82% | 0.818 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -76.6 | -51.8 | 176.2 | -67 | -31.6 | 0 | 0 | 0 | 111.6 | ||
| 125 | E | 88 | Confident | 93 | Very high | 142 Ų | 142 | 42.4 Ų | 42.4 | 66% | 0.664 | 22% | 0.219 | S | C | * | . | trans | -100.6 | 98.6 | 179.7 | -167.5 | 178.7 | -174.3 | 0 | 0 | 111.8 | T123 | T123-E125 WeakPolarHBondContact CG2-O 3.18Š| ||
| 126 | I | 88.3 | Confident | 93 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -84.8 | -14.5 | -177.2 | 59.3 | 154.4 | 0 | 0 | 0 | 114.6 | T123 P128 F129 L130 L159 R162 C164 | T123-I126 HydrophobicContact CG2-CG2 4.19Å; I126-P128 VanDerWaalsContact C-CD 3.43Å; I126-F129 PolarHBondContact O-N 3.47Å; I126-L130 HydrophobicContact CD1-CD1 3.87Å; I126-L130 PolarHBondContact O-N 3.36Å; I126-L159 HydrophobicContact CD1-CD2 3.97Å; I126-R162 HydrophobicContact CD1-CB 3.53Å; I126-R162 HydrophobicContact CD1-CG 3.76Å; I126-R162 HydrophobicContact CG1-CB 4.03Å; I126-R162 HydrophobicContact CG1-CG 4.17Å; I126-R162 HydrophobicContact CG2-CG 4.33Å; I126-C164 HydrophobicContact CD1-CB 4.37Å | ||
| 127 | S | 88.4 | Confident | 93 | Very high | 48 Ų | 48 | 42.3 Ų | 42.3 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -54.2 | -43.8 | -170.2 | -169.4 | 0 | 0 | 0 | 0 | 114.4 | F129 L130 | S127-F129 VanDerWaalsContact C-N 3.26Å; S127-F129 PolarHBondContact O-N 3.12Å; S127-L130 PolarHBondContact O-N 3.47Å |
| 128 | P | 90.7 | Very high | 92.9 | Very high | 85 Ų | 85 | 42.2 Ų | 42.2 | 55% | 0.552 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -62 | -29.3 | -175.7 | -24.6 | 35.3 | 0 | 0 | 0 | 114.9 | I126 | I126-P128 VanDerWaalsContact C-CD 3.43Š|
| 129 | F | 93.5 | Very high | 92.9 | Very high | 30 Ų | 30 | 44.6 Ų | 44.6 | 13% | 0.132 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -113.9 | 10.7 | -174.9 | -64.3 | -73.5 | 0 | 0 | 0 | 112.6 | L85 P86 V89 I126 S127 D131 D132 Y133 | L85-F129 HydrophobicContact CB-CD2 3.92Å; L85-F129 HydrophobicContact CB-CE2 3.36Å; L85-F129 HydrophobicContact CB-CZ 3.85Å; L85-F129 HydrophobicContact CD1-CD2 4.19Å; L85-F129 HydrophobicContact CD1-CE2 4.08Å; L85-F129 HydrophobicContact CG-CE2 4.33Å; P86-F129 HydrophobicContact CB-CZ 4.14Å; P86-F129 HydrophobicContact CG-CZ 3.93Å; V89-F129 HydrophobicContact CB-CD1 3.8Å; V89-F129 HydrophobicContact CB-CE1 4.12Å; V89-F129 HydrophobicContact CB-CG 4.32Å; V89-F129 HydrophobicContact CG1-CB 4.16Å; V89-F129 HydrophobicContact CG1-CD1 3.63Å; V89-F129 HydrophobicContact CG1-CE1 4.39Å; V89-F129 HydrophobicContact CG1-CG 4.13Å; V89-F129 HydrophobicContact CG2-CD1 4.1Å; V89-F129 HydrophobicContact CG2-CE1 4.49Å; V89-F129 HydrophobicContact CG2-CG 4.13Å; I126-F129 PolarHBondContact O-N 3.47Å; S127-F129 VanDerWaalsContact C-N 3.26Å; S127-F129 PolarHBondContact O-N 3.12Å; F129-D131 PolarHBondContact O-N 3.43Å; F129-D132 WeakPolarHBondContact O-CB 3.45Å; F129-D132 PolarHBondContact O-N 3.3Å; F129-Y133 HydrophobicContact CB-CD2 4.28Å; F129-Y133 HydrophobicContact CB-CE1 3.97Å; F129-Y133 HydrophobicContact CB-CE2 3.63Å; F129-Y133 VanDerWaalsContact CB-CZ 3.46Å; F129-Y133 VanDerWaalsContact O-CD2 3.22Å; F129-Y133 WeakPolarHBondContact O-CD2 3.18Å; F129-Y133 VanDerWaalsContact O-CG 3.23Å; F129-Y133 PolarHBondContact O-N 3.18Å |
| 130 | L | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | -171.6 | -173.7 | 68 | 0 | 0 | 0 | 112.4 | I126 S127 D132 Y133 I134 L159 R166 F167 I170 | I126-L130 HydrophobicContact CD1-CD1 3.87Å; I126-L130 PolarHBondContact O-N 3.36Å; S127-L130 PolarHBondContact O-N 3.47Å; L130-D132 VanDerWaalsContact C-N 3.27Å; L130-D132 PolarHBondContact O-N 2.85Å; L130-Y133 PolarHBondContact O-N 3.44Å; L130-I134 HydrophobicContact CG-CG1 4.44Å; L130-I134 WeakPolarHBondContact O-CB 3.29Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 3.35Å; L130-L159 HydrophobicContact CD1-CB 4.34Å; L130-L159 HydrophobicContact CD1-CD1 4.15Å; L130-L159 HydrophobicContact CD1-CD2 3.93Å; L130-L159 HydrophobicContact CD1-CG 4.37Å; L130-R166 HydrophobicContact CB-CG 4.37Å; L130-R166 HydrophobicContact CD2-CB 3.69Å; L130-R166 HydrophobicContact CD2-CG 3.75Å; L130-F167 HydrophobicContact CD1-CD2 4.22Å; L130-F167 VanDerWaalsContact CD2-CA 3.42Å; L130-F167 HydrophobicContact CD2-CB 3.72Å; L130-F167 HydrophobicContact CD2-CD2 4.47Å; L130-I170 HydrophobicContact CD2-CD1 4.06Å; L130-I170 HydrophobicContact CG-CD1 4.02Å |
| 131 | D | 93.9 | Very high | 93.1 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 36% | 0.358 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.1 | -40 | 175.7 | -66.7 | -75.6 | 0 | 0 | 0 | 111.5 | F129 I134 S135 R166 | F129-D131 PolarHBondContact O-N 3.43Å; D131-I134 PolarHBondContact O-N 2.95Å; D131-S135 PolarHBondContact O-N 3.38Å; D131-R166 VanDerWaalsContact CG-NH2 3.28Å; D131-R166 IonicContact OD1-CZ 3.29Å; D131-R166 IonicContact OD1-NE 2.67Å; D131-R166 IonicContact OD1-NH2 3.08Å; D131-R166 PolarHBondContact OD1-NH2 3.35Å; D131-R166 VanDerWaalsContact OD1-NH2 3.1Å; D131-R166 IonicContact OD2-CZ 3.43Å; D131-R166 VanDerWaalsContact OD2-CZ 3.28Å; D131-R166 IonicContact OD2-NE 2.69Å; D131-R166 PolarHBondContact OD2-NE 3.49Å; D131-R166 IonicContact OD2-NH2 2.82Å; D131-R166 PolarHBondContact OD2-NH2 3.37Å |
| 132 | D | 95.3 | Very high | 93.2 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 31% | 0.305 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 175 | -74.1 | -38.4 | 0 | 0 | 0 | 111.4 | V89 V93 F129 L130 I134 S135 V136 | V89-D132 HydrophobicContact CG1-CB 3.88Å; V93-D132 HydrophobicContact CG2-CB 3.53Å; F129-D132 WeakPolarHBondContact O-CB 3.45Å; F129-D132 PolarHBondContact O-N 3.3Å; L130-D132 VanDerWaalsContact C-N 3.27Å; L130-D132 PolarHBondContact O-N 2.85Å; D132-I134 VanDerWaalsContact C-N 3.34Å; D132-I134 PolarHBondContact O-N 2.87Å; D132-S135 PolarHBondContact O-N 3.08Å; D132-S135 PolarHBondContact O-OG 3.08Å; D132-V136 PolarHBondContact O-N 3.28Å; D132-V136 VanDerWaalsContact O-N 3.13Å |
| 133 | Y | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.1 | -57.3 | -33.9 | 0 | 0 | 0 | 112.3 | V89 L116 V120 F129 L130 V136 I137 L159 | V89-Y133 HydrophobicContact CG1-CD1 4.41Å; V89-Y133 HydrophobicContact CG1-CE1 3.88Å; V89-Y133 HydrophobicContact CG2-CE1 3.79Å; L116-Y133 HydrophobicContact CD1-CD1 3.72Å; L116-Y133 HydrophobicContact CD1-CE1 3.66Å; V120-Y133 HydrophobicContact CG2-CD1 4.35Å; V120-Y133 HydrophobicContact CG2-CD2 4.27Å; V120-Y133 HydrophobicContact CG2-CE1 4.2Å; V120-Y133 HydrophobicContact CG2-CE2 4.14Å; V120-Y133 HydrophobicContact CG2-CG 4.38Å; F129-Y133 HydrophobicContact CB-CD2 4.28Å; F129-Y133 HydrophobicContact CB-CE1 3.97Å; F129-Y133 HydrophobicContact CB-CE2 3.63Å; F129-Y133 VanDerWaalsContact CB-CZ 3.46Å; F129-Y133 VanDerWaalsContact O-CD2 3.22Å; F129-Y133 WeakPolarHBondContact O-CD2 3.18Å; F129-Y133 VanDerWaalsContact O-CG 3.23Å; F129-Y133 PolarHBondContact O-N 3.18Å; L130-Y133 PolarHBondContact O-N 3.44Å; Y133-V136 PolarHBondContact O-N 3.48Å; Y133-I137 VanDerWaalsContact O-CG1 3.3Å; Y133-I137 WeakPolarHBondContact O-CG1 3.21Å; Y133-I137 PolarHBondContact O-N 3.33Å; Y133-L159 HydrophobicContact CD2-CD2 3.89Å |
| 134 | I | 95.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 176.6 | -70.8 | -62.1 | 0 | 0 | 0 | 110.9 | L130 D131 D132 V136 I137 Q138 L159 F167 I170 S173 I174 | L130-I134 HydrophobicContact CG-CG1 4.44Å; L130-I134 WeakPolarHBondContact O-CB 3.29Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 3.35Å; D131-I134 PolarHBondContact O-N 2.95Å; D132-I134 VanDerWaalsContact C-N 3.34Å; D132-I134 PolarHBondContact O-N 2.87Å; I134-V136 VanDerWaalsContact C-N 3.28Å; I134-V136 PolarHBondContact O-N 3.08Å; I134-I137 HydrophobicContact CD1-CD1 4.47Å; I134-I137 PolarHBondContact O-N 3.42Å; I134-I137 VanDerWaalsContact O-N 3.12Å; I134-Q138 HydrophobicContact CG2-CG 4.32Å; I134-Q138 WeakPolarHBondContact O-CG 3.37Å; I134-Q138 PolarHBondContact O-N 3.15Å; I134-L159 HydrophobicContact CD1-CD1 4.38Å; I134-F167 HydrophobicContact CD1-CD2 4.27Å; I134-F167 HydrophobicContact CD1-CE2 4.01Å; I134-I170 HydrophobicContact CB-CD1 4.16Å; I134-I170 HydrophobicContact CG1-CD1 3.63Å; I134-I170 HydrophobicContact CG1-CG1 4.02Å; I134-I170 HydrophobicContact CG2-CD1 4.5Å; I134-S173 WeakPolarHBondContact CG2-OG 3.45Å; I134-I174 HydrophobicContact CD1-CG2 4.16Å; I134-I174 HydrophobicContact CG2-CG2 3.99Å |
| 135 | S | 94.7 | Very high | 94 | Very high | 30 Ų | 30 | 41 Ų | 41 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.8 | -40.1 | 176.7 | 80.6 | 0 | 0 | 0 | 0 | 112.4 | D131 D132 K139 | D131-S135 PolarHBondContact O-N 3.38Å; D132-S135 PolarHBondContact O-N 3.08Å; D132-S135 PolarHBondContact O-OG 3.08Å; S135-K139 PolarHBondContact O-N 3.45Å |
| 136 | V | 96.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 175 | 172.2 | 0 | 0 | 0 | 0 | 111 | V93 L96 L113 L116 D132 Y133 I134 Q138 K139 T140 | V93-V136 HydrophobicContact CB-CG2 4.47Å; V93-V136 HydrophobicContact CG2-CG2 4.1Å; L96-V136 HydrophobicContact CB-CG1 3.69Å; L96-V136 HydrophobicContact CB-CG2 4.32Å; L96-V136 HydrophobicContact CD1-CG1 4.17Å; L113-V136 HydrophobicContact CD1-CG1 4.01Å; L116-V136 HydrophobicContact CD2-CB 4.21Å; L116-V136 HydrophobicContact CD2-CG1 3.72Å; D132-V136 PolarHBondContact O-N 3.28Å; D132-V136 VanDerWaalsContact O-N 3.13Å; Y133-V136 PolarHBondContact O-N 3.48Å; I134-V136 VanDerWaalsContact C-N 3.28Å; I134-V136 PolarHBondContact O-N 3.08Å; V136-Q138 PolarHBondContact O-N 3.38Å; V136-K139 PolarHBondContact O-N 2.87Å; V136-T140 HydrophobicContact CG1-CG2 4.09Å; V136-T140 WeakPolarHBondContact O-CB 3.2Å; V136-T140 VanDerWaalsContact O-CG2 3.3Å; V136-T140 WeakPolarHBondContact O-CG2 3.49Å; V136-T140 PolarHBondContact O-N 2.96Å; V136-T140 PolarHBondContact O-OG1 3.1Å |
| 137 | I | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 179 | -68 | 166.8 | 0 | 0 | 0 | 111.1 | Y133 I134 K139 T140 L141 I155 A156 L159 I174 | Y133-I137 VanDerWaalsContact O-CG1 3.3Å; Y133-I137 WeakPolarHBondContact O-CG1 3.21Å; Y133-I137 PolarHBondContact O-N 3.33Å; I134-I137 HydrophobicContact CD1-CD1 4.47Å; I134-I137 PolarHBondContact O-N 3.42Å; I134-I137 VanDerWaalsContact O-N 3.12Å; I137-K139 PolarHBondContact O-N 2.81Å; I137-T140 WeakPolarHBondContact CA-OG1 3.37Å; I137-T140 PolarHBondContact O-N 3.37Å; I137-T140 PolarHBondContact O-OG1 2.68Å; I137-L141 HydrophobicContact CG2-CD1 3.52Å; I137-L141 HydrophobicContact CG2-CG 3.88Å; I137-L141 WeakPolarHBondContact O-CB 3.27Å; I137-L141 VanDerWaalsContact O-CG 3.29Å; I137-L141 WeakPolarHBondContact O-CG 3.46Å; I137-L141 PolarHBondContact O-N 3.04Å; I137-I155 HydrophobicContact CD1-CB 4.29Å; I137-I155 HydrophobicContact CD1-CG2 3.75Å; I137-I155 HydrophobicContact CG1-CG2 4.2Å; I137-A156 HydrophobicContact CD1-CB 4.34Å; I137-A156 HydrophobicContact CG2-CB 4.38Å; I137-L159 HydrophobicContact CD1-CD1 3.41Å; I137-L159 VanDerWaalsContact CD1-CD1 3.41Å; I137-I174 HydrophobicContact CB-CG2 4.38Å; I137-I174 HydrophobicContact CG2-CB 4.5Å; I137-I174 HydrophobicContact CG2-CG2 3.88Å |
| 138 | Q | 95.4 | Very high | 95.2 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.5 | -38.6 | 177.9 | -73.5 | -177.4 | -56.5 | 0 | 0 | 112.5 | I134 V136 S173 I174 | I134-Q138 HydrophobicContact CG2-CG 4.32Å; I134-Q138 WeakPolarHBondContact O-CG 3.37Å; I134-Q138 PolarHBondContact O-N 3.15Å; V136-Q138 PolarHBondContact O-N 3.38Å; Q138-S173 VanDerWaalsContact NE2-CB 3.27Å; Q138-S173 PolarHBondContact NE2-O 3.19Å; Q138-S173 PolarHBondContact NE2-OG 3.31Å; Q138-I174 HydrophobicContact CG-CG2 3.81Å |
| 139 | K | 94.7 | Very high | 95.5 | Very high | 86 Ų | 86 | 33.5 Ų | 33.5 | 37% | 0.374 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -78.8 | -41.5 | 177.3 | -63.8 | -55.3 | -178.3 | -173 | 0 | 112.9 | L96 G97 S135 V136 I137 V142 | L96-K139 WeakPolarHBondContact O-CB 3.45Å; G97-K139 WeakPolarHBondContact O-CG 3.28Å; S135-K139 PolarHBondContact O-N 3.45Å; V136-K139 PolarHBondContact O-N 2.87Å; I137-K139 PolarHBondContact O-N 2.81Å; K139-V142 VanDerWaalsContact O-CG2 3.23Å; K139-V142 WeakPolarHBondContact O-CG2 3.46Å; K139-V142 PolarHBondContact O-N 3.28Å |
| 140 | T | 96.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.5 | -23.5 | -175.6 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | L96 L113 V136 I137 V142 D143 V148 S152 | L96-T140 HydrophobicContact CB-CG2 4.37Å; L113-T140 HydrophobicContact CD1-CG2 4.24Å; L113-T140 HydrophobicContact CD2-CG2 4.17Å; V136-T140 HydrophobicContact CG1-CG2 4.09Å; V136-T140 WeakPolarHBondContact O-CB 3.2Å; V136-T140 VanDerWaalsContact O-CG2 3.3Å; V136-T140 WeakPolarHBondContact O-CG2 3.49Å; V136-T140 PolarHBondContact O-N 2.96Å; V136-T140 PolarHBondContact O-OG1 3.1Å; I137-T140 WeakPolarHBondContact CA-OG1 3.37Å; I137-T140 PolarHBondContact O-N 3.37Å; I137-T140 PolarHBondContact O-OG1 2.68Å; T140-V142 VanDerWaalsContact C-N 3.28Å; T140-V142 PolarHBondContact O-N 3.2Å; T140-D143 WeakPolarHBondContact O-CB 3.25Å; T140-D143 PolarHBondContact O-N 2.87Å; T140-V148 HydrophobicContact CG2-CG1 4.12Å; T140-S152 WeakPolarHBondContact CB-OG 3.34Å; T140-S152 PolarHBondContact O-OG 3.34Å; T140-S152 PolarHBondContact OG1-OG 2.9Å |
| 141 | L | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -28.3 | 171.8 | -79.5 | 170.2 | 0 | 0 | 0 | 113.3 | I137 I174 P177 M178 N181 I193 | I137-L141 HydrophobicContact CG2-CD1 3.52Å; I137-L141 HydrophobicContact CG2-CG 3.88Å; I137-L141 WeakPolarHBondContact O-CB 3.27Å; I137-L141 VanDerWaalsContact O-CG 3.29Å; I137-L141 WeakPolarHBondContact O-CG 3.46Å; I137-L141 PolarHBondContact O-N 3.04Å; L141-I174 HydrophobicContact CD1-CB 4.25Å; L141-P177 HydrophobicContact CB-CB 3.75Å; L141-P177 HydrophobicContact CD1-CB 3.85Å; L141-P177 HydrophobicContact CG-CB 4.48Å; L141-M178 HydrophobicContact CD1-CG 3.56Å; L141-M178 HydrophobicContact CD2-CG 4.11Å; L141-N181 PolarHBondContact O-ND2 3.41Å; L141-I193 HydrophobicContact CD2-CD1 4.22Å |
| 142 | V | 94.3 | Very high | 96.1 | Very high | 83 Ų | 83 | 29.9 Ų | 29.9 | 50% | 0.503 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 14.1 | 176.1 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | K139 T140 P177 | K139-V142 VanDerWaalsContact O-CG2 3.23Å; K139-V142 WeakPolarHBondContact O-CG2 3.46Å; K139-V142 PolarHBondContact O-N 3.28Å; T140-V142 VanDerWaalsContact C-N 3.28Å; T140-V142 PolarHBondContact O-N 3.2Å; V142-P177 HydrophobicContact CG1-CB 4.16Å |
| 143 | D | 95.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 5% | 0.053 | 14% | 0.142 | C | C | . | . | trans | -65.4 | 141.6 | -179.8 | -166.6 | -91.4 | 0 | 0 | 0 | 111.8 | R109 T140 Y145 V148 K149 | R109-D143 IonicContact CZ-OD1 2.65Å; R109-D143 VanDerWaalsContact CZ-OD1 3.3Å; R109-D143 IonicContact CZ-OD2 2.61Å; R109-D143 IonicContact NE-OD2 2.82Å; R109-D143 IonicContact NH1-OD1 2.86Å; R109-D143 IonicContact NH1-OD2 3.82Å; R109-D143 PolarHBondContact NH1-OD2 3.12Å; R109-D143 IonicContact NH2-OD1 3.97Å; R109-D143 PolarHBondContact NH2-OD1 2.86Å; R109-D143 IonicContact NH2-OD2 3.3Å; R109-D143 PolarHBondContact NH2-OD2 3.04Å; T140-D143 WeakPolarHBondContact O-CB 3.25Å; T140-D143 PolarHBondContact O-N 2.87Å; D143-Y145 VanDerWaalsContact C-N 3.26Å; D143-Y145 PolarHBondContact O-N 3Å; D143-Y145 WeakPolarHBondContact OD1-CB 3.33Å; D143-Y145 PolarHBondContact OD1-N 3.26Å; D143-V148 HydrophobicContact CB-CB 4.04Å; D143-V148 HydrophobicContact CB-CG1 3.56Å; D143-K149 WeakPolarHBondContact O-CE 3.08Å; D143-K149 PolarHBondContact O-NZ 2.81Å | ||
| 144 | P | 93.1 | Very high | 96.3 | Very high | 95 Ų | 95 | 31.7 Ų | 31.7 | 62% | 0.617 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -56.6 | -37.5 | 175.8 | -26.4 | 34.9 | 0 | 0 | 0 | 113.8 | K149 | P144-K149 PolarHBondContact O-NZ 3.05Š|
| 145 | Y | 95.8 | Very high | 96.4 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 18% | 0.184 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -82.3 | 123.8 | -174.1 | -174.1 | -142.4 | 0 | 0 | 0 | 111.7 | E106 D143 E147 V148 K149 | E106-Y145 HydrophobicContact CB-CD1 3.79Å; E106-Y145 HydrophobicContact CB-CE1 4.39Å; E106-Y145 HydrophobicContact CB-CG 3.92Å; E106-Y145 HydrophobicContact CG-CD1 4.23Å; E106-Y145 HydrophobicContact CG-CE1 4.41Å; E106-Y145 HydrophobicContact CG-CG 4.32Å; D143-Y145 VanDerWaalsContact C-N 3.26Å; D143-Y145 PolarHBondContact O-N 3Å; D143-Y145 WeakPolarHBondContact OD1-CB 3.33Å; D143-Y145 PolarHBondContact OD1-N 3.26Å; Y145-E147 HydrophobicContact CD1-CB 4.15Å; Y145-E147 HydrophobicContact CE1-CB 3.63Å; Y145-E147 HydrophobicContact CE1-CG 4.04Å; Y145-E147 HydrophobicContact CE2-CB 4.32Å; Y145-E147 HydrophobicContact CE2-CG 4.05Å; Y145-E147 PolarHBondContact O-N 3.19Å; Y145-E147 WeakPolarHBondContact OH-CG 3.21Å; Y145-V148 HydrophobicContact CD1-CG2 3.78Å; Y145-V148 HydrophobicContact CG-CG2 4.45Å; Y145-V148 WeakPolarHBondContact O-CB 3.37Å; Y145-V148 PolarHBondContact O-N 3.45Å; Y145-K149 PolarHBondContact O-N 3.38Å |
| 146 | H | 96 | Very high | 96.6 | Very high | 59 Ų | 59 | 30 Ų | 30 | 27% | 0.273 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -69.1 | -29.9 | -170.8 | 62.3 | -85.1 | 0 | 0 | 0 | 114 | V148 K149 K150 V189 | H146-V148 VanDerWaalsContact C-N 3.32Å; H146-K149 PolarHBondContact O-N 3.4Å; H146-K150 WeakPolarHBondContact O-CG 3.5Å; H146-K150 PolarHBondContact O-N 3.35Å; H146-K150 VanDerWaalsContact O-N 3.13Å; H146-V189 HydrophobicContact CB-CG2 3.69Å |
| 147 | E | 97.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 31 Ų | 31 | 22% | 0.22 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.9 | -35.9 | 174.9 | -64.7 | -60.1 | 136.4 | 0 | 0 | 111.9 | Y110 Y145 K150 L151 | Y110-E147 HydrophobicContact CD2-CB 3.76Å; Y110-E147 HydrophobicContact CE2-CB 3.95Å; Y110-E147 HydrophobicContact CG-CB 4.48Å; Y145-E147 HydrophobicContact CD1-CB 4.15Å; Y145-E147 HydrophobicContact CE1-CB 3.63Å; Y145-E147 HydrophobicContact CE1-CG 4.04Å; Y145-E147 HydrophobicContact CE2-CB 4.32Å; Y145-E147 HydrophobicContact CE2-CG 4.05Å; Y145-E147 PolarHBondContact O-N 3.19Å; Y145-E147 WeakPolarHBondContact OH-CG 3.21Å; E147-K150 PolarHBondContact O-N 2.96Å; E147-K150 WeakPolarHBondContact OE1-CE 2.76Å; E147-K150 IonicContact OE1-NZ 2.98Å; E147-K150 PolarHBondContact OE1-NZ 3.32Å; E147-K150 WeakPolarHBondContact OE2-CE 3.49Å; E147-K150 IonicContact OE2-NZ 2.75Å; E147-K150 PolarHBondContact OE2-NZ 2.66Å; E147-L151 WeakPolarHBondContact O-CB 3.25Å; E147-L151 PolarHBondContact O-N 3.06Å |
| 148 | V | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 109.7 | R109 L113 T140 D143 Y145 H146 K150 L151 S152 | R109-V148 HydrophobicContact CB-CG2 4.34Å; L113-V148 HydrophobicContact CD2-CG1 3.8Å; T140-V148 HydrophobicContact CG2-CG1 4.12Å; D143-V148 HydrophobicContact CB-CB 4.04Å; D143-V148 HydrophobicContact CB-CG1 3.56Å; Y145-V148 HydrophobicContact CD1-CG2 3.78Å; Y145-V148 HydrophobicContact CG-CG2 4.45Å; Y145-V148 WeakPolarHBondContact O-CB 3.37Å; Y145-V148 PolarHBondContact O-N 3.45Å; H146-V148 VanDerWaalsContact C-N 3.32Å; V148-K150 VanDerWaalsContact C-N 3.34Å; V148-K150 PolarHBondContact O-N 2.75Å; V148-L151 PolarHBondContact O-N 3.37Å; V148-L151 VanDerWaalsContact O-N 3.12Å; V148-S152 PolarHBondContact O-N 2.89Å; V148-S152 PolarHBondContact O-OG 2.87Å |
| 149 | K | 97.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.4 | -46.7 | 177.4 | -60.8 | -172.8 | 172.9 | 92.9 | 0 | 112.8 | D143 P144 Y145 H146 L151 S152 C153 N181 H184 V189 | D143-K149 WeakPolarHBondContact O-CE 3.08Å; D143-K149 PolarHBondContact O-NZ 2.81Å; P144-K149 PolarHBondContact O-NZ 3.05Å; Y145-K149 PolarHBondContact O-N 3.38Å; H146-K149 PolarHBondContact O-N 3.4Å; K149-L151 PolarHBondContact O-N 2.74Å; K149-S152 WeakPolarHBondContact O-CB 3.11Å; K149-S152 PolarHBondContact O-N 2.95Å; K149-C153 PolarHBondContact O-N 3.38Å; K149-C153 VanDerWaalsContact O-N 3.1Å; K149-C153 PolarHBondContact O-SG 3.16Å; K149-C153 VanDerWaalsContact O-SG 3.33Å; K149-N181 WeakPolarHBondContact CD-OD1 3.23Å; K149-N181 WeakPolarHBondContact CE-OD1 3.22Å; K149-H184 PolarHBondContact NZ-NE2 2.94Å; K149-V189 HydrophobicContact CB-CG1 4.34Å; K149-V189 HydrophobicContact CD-CG1 4.09Å |
| 150 | K | 98 | Very high | 96.6 | Very high | 18 Ų | 18 | 24.3 Ų | 24.3 | 8% | 0.078 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.8 | -67.8 | -174.7 | -60.3 | 170.8 | 0 | 112 | H146 E147 V148 C153 R154 K188 V189 E192 | H146-K150 WeakPolarHBondContact O-CG 3.5Å; H146-K150 PolarHBondContact O-N 3.35Å; H146-K150 VanDerWaalsContact O-N 3.13Å; E147-K150 PolarHBondContact O-N 2.96Å; E147-K150 WeakPolarHBondContact OE1-CE 2.76Å; E147-K150 IonicContact OE1-NZ 2.98Å; E147-K150 PolarHBondContact OE1-NZ 3.32Å; E147-K150 WeakPolarHBondContact OE2-CE 3.49Å; E147-K150 IonicContact OE2-NZ 2.75Å; E147-K150 PolarHBondContact OE2-NZ 2.66Å; V148-K150 VanDerWaalsContact C-N 3.34Å; V148-K150 PolarHBondContact O-N 2.75Å; K150-C153 VanDerWaalsContact O-CB 3.31Å; K150-C153 WeakPolarHBondContact O-CB 3.47Å; K150-C153 PolarHBondContact O-N 2.64Å; K150-R154 PolarHBondContact O-N 2.7Å; K150-K188 HydrophobicContact CD-CB 4.44Å; K150-V189 HydrophobicContact CG-CG2 4.27Å; K150-E192 HydrophobicContact CB-CB 4.45Å; K150-E192 HydrophobicContact CB-CG 4.21Å; K150-E192 HydrophobicContact CD-CG 3.97Å; K150-E192 HydrophobicContact CG-CB 4.13Å; K150-E192 HydrophobicContact CG-CG 3.87Å |
| 151 | L | 98.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.5 | -36.6 | 177.3 | -175.7 | 59 | 0 | 0 | 0 | 111.8 | Y110 L113 N114 Y117 E147 V148 K149 C153 R154 I155 | Y110-L151 HydrophobicContact CD2-CB 4.44Å; Y110-L151 HydrophobicContact CD2-CD2 3.95Å; Y110-L151 HydrophobicContact CE2-CB 4.09Å; Y110-L151 HydrophobicContact CE2-CD2 3.74Å; L113-L151 HydrophobicContact CB-CD2 3.99Å; L113-L151 HydrophobicContact CD2-CB 4.08Å; L113-L151 HydrophobicContact CD2-CD2 4.09Å; L113-L151 HydrophobicContact CD2-CG 4.07Å; L113-L151 HydrophobicContact CG-CD2 3.84Å; L113-L151 HydrophobicContact CG-CG 4.05Å; N114-L151 HydrophobicContact CB-CD2 3.72Å; Y117-L151 HydrophobicContact CD1-CD1 4.43Å; Y117-L151 HydrophobicContact CD2-CD1 4.46Å; Y117-L151 HydrophobicContact CG-CD1 4.1Å; E147-L151 WeakPolarHBondContact O-CB 3.25Å; E147-L151 PolarHBondContact O-N 3.06Å; V148-L151 PolarHBondContact O-N 3.37Å; V148-L151 VanDerWaalsContact O-N 3.12Å; K149-L151 PolarHBondContact O-N 2.74Å; L151-C153 VanDerWaalsContact C-N 3.28Å; L151-C153 PolarHBondContact O-N 2.74Å; L151-R154 HydrophobicContact CD1-CB 4.5Å; L151-R154 PolarHBondContact O-N 2.84Å; L151-R154 VanDerWaalsContact O-N 3.11Å; L151-I155 HydrophobicContact CG-CD1 4.28Å; L151-I155 WeakPolarHBondContact O-CG1 3.34Å; L151-I155 PolarHBondContact O-N 3.37Å |
| 152 | S | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.8 | -41.6 | 171.7 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | T140 V148 K149 R154 I155 A156 | T140-S152 WeakPolarHBondContact CB-OG 3.34Å; T140-S152 PolarHBondContact O-OG 3.34Å; T140-S152 PolarHBondContact OG1-OG 2.9Å; V148-S152 PolarHBondContact O-N 2.89Å; V148-S152 PolarHBondContact O-OG 2.87Å; K149-S152 WeakPolarHBondContact O-CB 3.11Å; K149-S152 PolarHBondContact O-N 2.95Å; S152-R154 PolarHBondContact O-N 3.38Å; S152-I155 PolarHBondContact O-N 3.29Å; S152-A156 WeakPolarHBondContact O-CB 3.33Å; S152-A156 PolarHBondContact O-N 3.33Å |
| 153 | C | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.2 | -47.7 | 172.5 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | K149 K150 L151 I155 A156 V157 I193 A196 | K149-C153 PolarHBondContact O-N 3.38Å; K149-C153 VanDerWaalsContact O-N 3.1Å; K149-C153 PolarHBondContact O-SG 3.16Å; K149-C153 VanDerWaalsContact O-SG 3.33Å; K150-C153 VanDerWaalsContact O-CB 3.31Å; K150-C153 WeakPolarHBondContact O-CB 3.47Å; K150-C153 PolarHBondContact O-N 2.64Å; L151-C153 VanDerWaalsContact C-N 3.28Å; L151-C153 PolarHBondContact O-N 2.74Å; C153-I155 PolarHBondContact O-N 2.87Å; C153-A156 WeakPolarHBondContact O-CB 3.3Å; C153-A156 PolarHBondContact O-N 2.98Å; C153-V157 WeakPolarHBondContact O-CG2 3.36Å; C153-V157 PolarHBondContact O-N 2.98Å; C153-I193 WeakPolarHBondContact SG-CD1 3.16Å; C153-A196 HydrophobicContact CB-CB 3.72Å |
| 154 | R | 98.1 | Very high | 95.5 | Very high | 93 Ų | 93 | 37.3 Ų | 37.3 | 35% | 0.351 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.4 | -40.1 | 179.8 | -65.5 | 174.6 | -169.6 | 173.1 | 1.6 | 112.6 | Y117 K150 L151 S152 V157 V158 E192 | Y117-R154 HydrophobicContact CE2-CB 4.23Å; K150-R154 PolarHBondContact O-N 2.7Å; L151-R154 HydrophobicContact CD1-CB 4.5Å; L151-R154 PolarHBondContact O-N 2.84Å; L151-R154 VanDerWaalsContact O-N 3.11Å; S152-R154 PolarHBondContact O-N 3.38Å; R154-V157 PolarHBondContact O-N 3.37Å; R154-V158 WeakPolarHBondContact O-CG2 3.3Å; R154-V158 PolarHBondContact O-N 3.25Å; R154-E192 IonicContact CZ-OE1 3.1Å; R154-E192 IonicContact NE-OE1 3.54Å; R154-E192 IonicContact NE-OE2 2.77Å; R154-E192 IonicContact NH2-OE1 2.95Å; R154-E192 PolarHBondContact NH2-OE1 2.98Å |
| 155 | I | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 175 | -61.8 | 164.3 | 0 | 0 | 0 | 109.8 | L113 Y117 I137 L151 S152 C153 V157 V158 L159 | L113-I155 HydrophobicContact CD1-CD1 3.32Å; L113-I155 HydrophobicContact CD2-CD1 4.29Å; L113-I155 HydrophobicContact CG-CD1 3.59Å; Y117-I155 HydrophobicContact CD2-CG1 3.72Å; Y117-I155 HydrophobicContact CG-CG1 4.21Å; I137-I155 HydrophobicContact CD1-CB 4.29Å; I137-I155 HydrophobicContact CD1-CG2 3.75Å; I137-I155 HydrophobicContact CG1-CG2 4.2Å; L151-I155 HydrophobicContact CG-CD1 4.28Å; L151-I155 WeakPolarHBondContact O-CG1 3.34Å; L151-I155 PolarHBondContact O-N 3.37Å; S152-I155 PolarHBondContact O-N 3.29Å; C153-I155 PolarHBondContact O-N 2.87Å; I155-V157 VanDerWaalsContact C-N 3.3Å; I155-V157 PolarHBondContact O-N 3.31Å; I155-V158 PolarHBondContact O-N 3.41Å; I155-L159 HydrophobicContact CG2-CD1 4.14Å; I155-L159 HydrophobicContact CG2-CG 4.29Å; I155-L159 WeakPolarHBondContact O-CG 3.31Å; I155-L159 PolarHBondContact O-N 2.86Å |
| 156 | A | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I137 S152 C153 L159 S160 I174 V200 | I137-A156 HydrophobicContact CD1-CB 4.34Å; I137-A156 HydrophobicContact CG2-CB 4.38Å; S152-A156 WeakPolarHBondContact O-CB 3.33Å; S152-A156 PolarHBondContact O-N 3.33Å; C153-A156 WeakPolarHBondContact O-CB 3.3Å; C153-A156 PolarHBondContact O-N 2.98Å; A156-L159 PolarHBondContact O-N 3.34Å; A156-S160 WeakPolarHBondContact O-CB 3.37Å; A156-S160 PolarHBondContact O-N 3.17Å; A156-I174 HydrophobicContact CB-CD1 4.15Å; A156-V200 HydrophobicContact CB-CG2 3.99Å |
| 157 | V | 97.1 | Very high | 95.1 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -52.9 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | C153 R154 I155 L159 S160 E161 A196 K199 | C153-V157 WeakPolarHBondContact O-CG2 3.36Å; C153-V157 PolarHBondContact O-N 2.98Å; R154-V157 PolarHBondContact O-N 3.37Å; I155-V157 VanDerWaalsContact C-N 3.3Å; I155-V157 PolarHBondContact O-N 3.31Å; V157-L159 VanDerWaalsContact C-N 3.31Å; V157-L159 PolarHBondContact O-N 2.88Å; V157-S160 PolarHBondContact O-N 2.96Å; V157-S160 PolarHBondContact O-OG 3.49Å; V157-E161 HydrophobicContact CG1-CG 4.33Å; V157-E161 WeakPolarHBondContact O-CG 3.44Å; V157-E161 PolarHBondContact O-N 3.37Å; V157-A196 HydrophobicContact CG2-CB 3.8Å; V157-K199 HydrophobicContact CG1-CB 3.95Å; V157-K199 HydrophobicContact CG1-CG 4.03Å; V157-K199 HydrophobicContact CG2-CB 4.17Å; V157-K199 HydrophobicContact CG2-CG 4.45Å |
| 158 | V | 96.1 | Very high | 94.9 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 7% | 0.073 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.5 | -43.7 | 179.9 | 172 | 0 | 0 | 0 | 0 | 111.7 | Y117 V120 N121 R154 I155 S160 E161 R162 | Y117-V158 HydrophobicContact CE2-CG2 3.71Å; V120-V158 HydrophobicContact CG1-CG1 3.79Å; N121-V158 WeakPolarHBondContact OD1-CG1 3.38Å; R154-V158 WeakPolarHBondContact O-CG2 3.3Å; R154-V158 PolarHBondContact O-N 3.25Å; I155-V158 PolarHBondContact O-N 3.41Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 3.06Å; V158-E161 PolarHBondContact O-N 3.42Å; V158-R162 WeakPolarHBondContact O-CG 3.45Å; V158-R162 PolarHBondContact O-N 2.75Å |
| 159 | L | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.4 | -67.8 | 177.8 | 0 | 0 | 0 | 112.2 | V120 I126 L130 Y133 I134 I137 I155 A156 V157 R162 F167 | V120-L159 HydrophobicContact CG1-CD2 3.57Å; V120-L159 HydrophobicContact CG1-CG 4.33Å; V120-L159 HydrophobicContact CG2-CD2 4.42Å; I126-L159 HydrophobicContact CD1-CD2 3.97Å; L130-L159 HydrophobicContact CD1-CB 4.34Å; L130-L159 HydrophobicContact CD1-CD1 4.15Å; L130-L159 HydrophobicContact CD1-CD2 3.93Å; L130-L159 HydrophobicContact CD1-CG 4.37Å; Y133-L159 HydrophobicContact CD2-CD2 3.89Å; I134-L159 HydrophobicContact CD1-CD1 4.38Å; I137-L159 HydrophobicContact CD1-CD1 3.41Å; I137-L159 VanDerWaalsContact CD1-CD1 3.41Å; I155-L159 HydrophobicContact CG2-CD1 4.14Å; I155-L159 HydrophobicContact CG2-CG 4.29Å; I155-L159 WeakPolarHBondContact O-CG 3.31Å; I155-L159 PolarHBondContact O-N 2.86Å; A156-L159 PolarHBondContact O-N 3.34Å; V157-L159 VanDerWaalsContact C-N 3.31Å; V157-L159 PolarHBondContact O-N 2.88Å; L159-R162 PolarHBondContact O-N 3.29Å; L159-F167 HydrophobicContact CB-CD2 4.06Å; L159-F167 HydrophobicContact CB-CE2 3.9Å |
| 160 | S | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 178 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | A156 V157 V158 R162 K163 F167 H203 | A156-S160 WeakPolarHBondContact O-CB 3.37Å; A156-S160 PolarHBondContact O-N 3.17Å; V157-S160 PolarHBondContact O-N 2.96Å; V157-S160 PolarHBondContact O-OG 3.49Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 3.06Å; S160-R162 PolarHBondContact O-N 2.81Å; S160-K163 PolarHBondContact O-N 2.97Å; S160-F167 VanDerWaalsContact CB-CE1 3.45Å; S160-F167 VanDerWaalsContact CB-CZ 3.48Å; S160-H203 PolarHBondContact O-CD2 3.45Å |
| 161 | E | 92.8 | Very high | 94 | Very high | 94 Ų | 94 | 45.3 Ų | 45.3 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.7 | -13.5 | -177.5 | -72.1 | -179.9 | 165.4 | 0 | 0 | 113.5 | V157 V158 K163 | V157-E161 HydrophobicContact CG1-CG 4.33Å; V157-E161 WeakPolarHBondContact O-CG 3.44Å; V157-E161 PolarHBondContact O-N 3.37Å; V158-E161 PolarHBondContact O-N 3.42Å; E161-K163 PolarHBondContact O-N 3.25Å |
| 162 | R | 91.7 | Very high | 93.9 | Very high | 91 Ų | 91 | 49.1 Ų | 49.1 | 34% | 0.343 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -8.6 | 170.7 | -64.6 | -67.7 | -176.3 | -94.8 | 2.5 | 113.1 | I126 V158 L159 S160 C164 | I126-R162 HydrophobicContact CD1-CB 3.53Å; I126-R162 HydrophobicContact CD1-CG 3.76Å; I126-R162 HydrophobicContact CG1-CB 4.03Å; I126-R162 HydrophobicContact CG1-CG 4.17Å; I126-R162 HydrophobicContact CG2-CG 4.33Å; V158-R162 WeakPolarHBondContact O-CG 3.45Å; V158-R162 PolarHBondContact O-N 2.75Å; L159-R162 PolarHBondContact O-N 3.29Å; S160-R162 PolarHBondContact O-N 2.81Å; R162-C164 PolarHBondContact O-N 2.72Å |
| 163 | K | 87.4 | Confident | 93.6 | Very high | 156 Ų | 156 | 51.3 Ų | 51.3 | 68% | 0.678 | 23% | 0.232 | S | C | * | . | trans | 52 | 32.8 | 174.3 | -57.5 | -180 | -173.4 | 179.4 | 0 | 114 | S160 E161 | S160-K163 PolarHBondContact O-N 2.97Å; E161-K163 PolarHBondContact O-N 3.25Å | ||
| 164 | C | 88.5 | Confident | 93.5 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | trans | -79.3 | 134.8 | -179.8 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | I126 R162 R166 F167 Y168 | I126-C164 HydrophobicContact CD1-CB 4.37Å; R162-C164 PolarHBondContact O-N 2.72Å; C164-R166 PolarHBondContact O-N 3.49Å; C164-F167 WeakPolarHBondContact O-CB 3.26Å; C164-F167 PolarHBondContact O-N 3.47Å; C164-Y168 PolarHBondContact O-N 3.28Å | ||
| 165 | H | 90.1 | Very high | 93.4 | Very high | 127 Ų | 127 | 47.4 Ų | 47.4 | 59% | 0.588 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -57.6 | -35 | 177.3 | 178.3 | -97 | 0 | 0 | 0 | 113.1 | F167 Y168 Q169 | H165-F167 VanDerWaalsContact C-N 3.28Å; H165-F167 PolarHBondContact O-N 3.18Å; H165-Y168 WeakPolarHBondContact O-CB 3.09Å; H165-Y168 PolarHBondContact O-N 2.71Å; H165-Q169 PolarHBondContact CE1-NE2 3.17Å; H165-Q169 PolarHBondContact O-N 2.68Å |
| 166 | R | 92.3 | Very high | 93.2 | Very high | 95 Ų | 95 | 54 Ų | 54 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 177.2 | -172.1 | 65.7 | 175.1 | -179 | -1.2 | 111.6 | L130 D131 C164 Q169 I170 | L130-R166 HydrophobicContact CB-CG 4.37Å; L130-R166 HydrophobicContact CD2-CB 3.69Å; L130-R166 HydrophobicContact CD2-CG 3.75Å; D131-R166 VanDerWaalsContact CG-NH2 3.28Å; D131-R166 IonicContact OD1-CZ 3.29Å; D131-R166 IonicContact OD1-NE 2.67Å; D131-R166 IonicContact OD1-NH2 3.08Å; D131-R166 PolarHBondContact OD1-NH2 3.35Å; D131-R166 VanDerWaalsContact OD1-NH2 3.1Å; D131-R166 IonicContact OD2-CZ 3.43Å; D131-R166 VanDerWaalsContact OD2-CZ 3.28Å; D131-R166 IonicContact OD2-NE 2.69Å; D131-R166 PolarHBondContact OD2-NE 3.49Å; D131-R166 IonicContact OD2-NH2 2.82Å; D131-R166 PolarHBondContact OD2-NH2 3.37Å; C164-R166 PolarHBondContact O-N 3.49Å; R166-Q169 PolarHBondContact O-N 2.98Å; R166-I170 HydrophobicContact CG-CD1 4.46Å; R166-I170 WeakPolarHBondContact O-CG1 3.43Å; R166-I170 PolarHBondContact O-N 3.16Å |
| 167 | F | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 177.2 | -175.4 | -93.4 | 0 | 0 | 0 | 111 | L130 I134 L159 S160 C164 H165 Q169 I170 S171 I174 V200 H203 | L130-F167 HydrophobicContact CD1-CD2 4.22Å; L130-F167 VanDerWaalsContact CD2-CA 3.42Å; L130-F167 HydrophobicContact CD2-CB 3.72Å; L130-F167 HydrophobicContact CD2-CD2 4.47Å; I134-F167 HydrophobicContact CD1-CD2 4.27Å; I134-F167 HydrophobicContact CD1-CE2 4.01Å; L159-F167 HydrophobicContact CB-CD2 4.06Å; L159-F167 HydrophobicContact CB-CE2 3.9Å; S160-F167 VanDerWaalsContact CB-CE1 3.45Å; S160-F167 VanDerWaalsContact CB-CZ 3.48Å; C164-F167 WeakPolarHBondContact O-CB 3.26Å; C164-F167 PolarHBondContact O-N 3.47Å; H165-F167 VanDerWaalsContact C-N 3.28Å; H165-F167 PolarHBondContact O-N 3.18Å; F167-Q169 PolarHBondContact O-N 2.87Å; F167-Q169 VanDerWaalsContact O-N 3.16Å; F167-I170 PolarHBondContact O-N 2.88Å; F167-I170 VanDerWaalsContact O-N 3.1Å; F167-S171 VanDerWaalsContact O-CB 3.27Å; F167-S171 WeakPolarHBondContact O-CB 3.13Å; F167-S171 PolarHBondContact O-N 2.95Å; F167-S171 PolarHBondContact O-OG 3.11Å; F167-I174 HydrophobicContact CZ-CD1 4.49Å; F167-V200 HydrophobicContact CE1-CG1 4.39Å; F167-V200 HydrophobicContact CZ-CG1 4.09Å; F167-H203 HydrophobicContact CD1-CB 4.48Å |
| 168 | Y | 92.6 | Very high | 93.1 | Very high | 106 Ų | 106 | 54 Ų | 54 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.6 | -33 | 177.3 | 179.4 | -91.1 | 0 | 0 | 0 | 112.9 | C164 H165 S204 Q205 | C164-Y168 PolarHBondContact O-N 3.28Å; H165-Y168 WeakPolarHBondContact O-CB 3.09Å; H165-Y168 PolarHBondContact O-N 2.71Å; Y168-S204 VanDerWaalsContact CE2-C 3.41Å; Y168-S204 VanDerWaalsContact CE2-O 3.24Å; Y168-S204 WeakPolarHBondContact CE2-O 2.79Å; Y168-Q205 HydrophobicContact CD1-CG 4.25Å; Y168-Q205 HydrophobicContact CE1-CG 3.75Å; Y168-Q205 HydrophobicContact CE2-CB 4.48Å; Y168-Q205 HydrophobicContact CE2-CG 4.13Å; Y168-Q205 WeakPolarHBondContact O-CG 3.5Å; Y168-Q205 PolarHBondContact O-NE2 3.44Å |
| 169 | Q | 91.1 | Very high | 93.1 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 43% | 0.425 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -74.9 | -33.8 | 178.9 | -67.5 | -176.1 | -37.4 | 0 | 0 | 113.7 | H165 R166 F167 | H165-Q169 PolarHBondContact CE1-NE2 3.17Å; H165-Q169 PolarHBondContact O-N 2.68Å; R166-Q169 PolarHBondContact O-N 2.98Å; F167-Q169 PolarHBondContact O-N 2.87Å; F167-Q169 VanDerWaalsContact O-N 3.16Å |
| 170 | I | 92 | Very high | 93.1 | Very high | 28 Ų | 28 | 57.9 Ų | 57.9 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -112.1 | -7.4 | -168.6 | 70 | -177.6 | 0 | 0 | 0 | 114.3 | L130 I134 R166 F167 E172 S173 | L130-I170 HydrophobicContact CD2-CD1 4.06Å; L130-I170 HydrophobicContact CG-CD1 4.02Å; I134-I170 HydrophobicContact CB-CD1 4.16Å; I134-I170 HydrophobicContact CG1-CD1 3.63Å; I134-I170 HydrophobicContact CG1-CG1 4.02Å; I134-I170 HydrophobicContact CG2-CD1 4.5Å; R166-I170 HydrophobicContact CG-CD1 4.46Å; R166-I170 WeakPolarHBondContact O-CG1 3.43Å; R166-I170 PolarHBondContact O-N 3.16Å; F167-I170 PolarHBondContact O-N 2.88Å; F167-I170 VanDerWaalsContact O-N 3.1Å; I170-E172 PolarHBondContact O-N 2.98Å; I170-S173 VanDerWaalsContact O-CB 3.29Å; I170-S173 WeakPolarHBondContact O-CB 3.33Å; I170-S173 PolarHBondContact O-N 2.81Å; I170-S173 VanDerWaalsContact O-N 3.12Å; I170-S173 PolarHBondContact O-OG 3.42Å |
| 171 | S | 91.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.7 | -175 | 64.8 | 0 | 0 | 0 | 0 | 114.7 | F167 S173 I174 S204 | F167-S171 VanDerWaalsContact O-CB 3.27Å; F167-S171 WeakPolarHBondContact O-CB 3.13Å; F167-S171 PolarHBondContact O-N 2.95Å; F167-S171 PolarHBondContact O-OG 3.11Å; S171-S173 PolarHBondContact O-N 3.43Å; S171-S173 VanDerWaalsContact O-N 3.14Å; S171-I174 WeakPolarHBondContact O-CG1 3.47Å; S171-I174 PolarHBondContact O-N 2.76Å; S171-S204 VanDerWaalsContact CB-OG 3.31Å; S171-S204 WeakPolarHBondContact CB-OG 3.48Å; S171-S204 WeakPolarHBondContact OG-CB 3.1Å; S171-S204 PolarHBondContact OG-OG 3.04Å |
| 172 | E | 94.9 | Very high | 93.4 | Very high | 84 Ų | 84 | 53.8 Ų | 53.8 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55 | -32.1 | 172.4 | 178.9 | 162.7 | -169 | 0 | 0 | 111.9 | I170 I174 L175 K207 L208 | I170-E172 PolarHBondContact O-N 2.98Å; E172-I174 VanDerWaalsContact C-N 3.3Å; E172-I174 PolarHBondContact O-N 2.71Å; E172-L175 WeakPolarHBondContact O-CB 3.21Å; E172-L175 PolarHBondContact O-N 2.98Å; E172-K207 IonicContact OE1-NZ 3.39Å; E172-K207 IonicContact OE2-NZ 2.75Å; E172-K207 PolarHBondContact OE2-NZ 2.83Å; E172-L208 HydrophobicContact CB-CD1 3.94Å; E172-L208 HydrophobicContact CB-CD2 3.96Å; E172-L208 HydrophobicContact CG-CD1 4.49Å; E172-L208 HydrophobicContact CG-CD2 3.6Å |
| 173 | S | 93.4 | Very high | 93.5 | Very high | 45 Ų | 45 | 54 Ų | 54 | 32% | 0.315 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.4 | -20.6 | -174.7 | 75.2 | 0 | 0 | 0 | 0 | 114.7 | I134 Q138 I170 S171 | I134-S173 WeakPolarHBondContact CG2-OG 3.45Å; Q138-S173 VanDerWaalsContact NE2-CB 3.27Å; Q138-S173 PolarHBondContact NE2-O 3.19Å; Q138-S173 PolarHBondContact NE2-OG 3.31Å; I170-S173 VanDerWaalsContact O-CB 3.29Å; I170-S173 WeakPolarHBondContact O-CB 3.33Å; I170-S173 PolarHBondContact O-N 2.81Å; I170-S173 VanDerWaalsContact O-N 3.12Å; I170-S173 PolarHBondContact O-OG 3.42Å; S171-S173 PolarHBondContact O-N 3.43Å; S171-S173 VanDerWaalsContact O-N 3.14Å |
| 174 | I | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -93.7 | -11.5 | 176.1 | 57 | 165.5 | 0 | 0 | 0 | 112.8 | I134 I137 Q138 L141 A156 F167 S171 E172 P177 M178 V200 | I134-I174 HydrophobicContact CD1-CG2 4.16Å; I134-I174 HydrophobicContact CG2-CG2 3.99Å; I137-I174 HydrophobicContact CB-CG2 4.38Å; I137-I174 HydrophobicContact CG2-CB 4.5Å; I137-I174 HydrophobicContact CG2-CG2 3.88Å; Q138-I174 HydrophobicContact CG-CG2 3.81Å; L141-I174 HydrophobicContact CD1-CB 4.25Å; A156-I174 HydrophobicContact CB-CD1 4.15Å; F167-I174 HydrophobicContact CZ-CD1 4.49Å; S171-I174 WeakPolarHBondContact O-CG1 3.47Å; S171-I174 PolarHBondContact O-N 2.76Å; E172-I174 VanDerWaalsContact C-N 3.3Å; E172-I174 PolarHBondContact O-N 2.71Å; I174-P177 WeakPolarHBondContact O-CD 3.46Å; I174-M178 HydrophobicContact CD1-SD 4.2Å; I174-M178 HydrophobicContact CG1-SD 4.5Å; I174-M178 VanDerWaalsContact O-CG 3.31Å; I174-M178 WeakPolarHBondContact O-CG 3.29Å; I174-M178 PolarHBondContact O-N 2.99Å; I174-V200 HydrophobicContact CD1-CG1 4.02Å |
| 175 | L | 94.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -51.7 | -172.9 | -179.2 | 61.9 | 0 | 0 | 0 | 112.7 | E172 M178 L179 L197 L208 N211 V212 | E172-L175 WeakPolarHBondContact O-CB 3.21Å; E172-L175 PolarHBondContact O-N 2.98Å; L175-M178 WeakPolarHBondContact O-CB 3.42Å; L175-M178 PolarHBondContact O-N 3.29Å; L175-M178 VanDerWaalsContact O-N 3.1Å; L175-L179 HydrophobicContact CD1-CD1 4.15Å; L175-L179 HydrophobicContact CD1-CD2 4.38Å; L175-L179 HydrophobicContact CD1-CG 4.02Å; L175-L179 HydrophobicContact CD2-CD1 4.49Å; L175-L179 HydrophobicContact CG-CD1 3.96Å; L175-L179 HydrophobicContact CG-CG 4.22Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.42Å; L175-L197 HydrophobicContact CD1-CD2 3.92Å; L175-L208 HydrophobicContact CD2-CB 4.08Å; L175-L208 HydrophobicContact CD2-CD2 4.01Å; L175-L208 HydrophobicContact CD2-CG 4.45Å; L175-N211 HydrophobicContact CD2-CB 4.27Å; L175-V212 HydrophobicContact CD1-CG2 3.59Å; L175-V212 HydrophobicContact CD2-CG2 4.32Å; L175-V212 HydrophobicContact CG-CG2 4.47Å |
| 176 | L | 94.4 | Very high | 94.5 | Very high | 139 Ų | 139 | 52.4 Ų | 52.4 | 73% | 0.728 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.5 | -49.2 | 179.2 | -84.6 | 166.6 | 0 | 0 | 0 | 112.3 | M178 L179 S180 | L176-M178 VanDerWaalsContact C-N 3.29Å; L176-M178 PolarHBondContact O-N 3Å; L176-L179 PolarHBondContact O-N 3.24Å; L176-S180 PolarHBondContact O-N 2.85Å |
| 177 | P | 95 | Very high | 94.7 | Very high | 22 Ų | 22 | 50 Ų | 50 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.7 | -43.6 | 170.1 | -30 | 34.9 | 0 | 0 | 0 | 113.7 | L141 V142 I174 S180 N181 | L141-P177 HydrophobicContact CB-CB 3.75Å; L141-P177 HydrophobicContact CD1-CB 3.85Å; L141-P177 HydrophobicContact CG-CB 4.48Å; V142-P177 HydrophobicContact CG1-CB 4.16Å; I174-P177 WeakPolarHBondContact O-CD 3.46Å; P177-S180 PolarHBondContact O-OG 3.32Å; P177-N181 PolarHBondContact O-ND2 3.16Å |
| 178 | M | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -49 | 176.3 | -68.4 | -179.8 | 80.3 | 0 | 0 | 112 | L141 I174 L175 L176 S180 N181 I193 A196 L197 | L141-M178 HydrophobicContact CD1-CG 3.56Å; L141-M178 HydrophobicContact CD2-CG 4.11Å; I174-M178 HydrophobicContact CD1-SD 4.2Å; I174-M178 HydrophobicContact CG1-SD 4.5Å; I174-M178 VanDerWaalsContact O-CG 3.31Å; I174-M178 WeakPolarHBondContact O-CG 3.29Å; I174-M178 PolarHBondContact O-N 2.99Å; L175-M178 WeakPolarHBondContact O-CB 3.42Å; L175-M178 PolarHBondContact O-N 3.29Å; L175-M178 VanDerWaalsContact O-N 3.1Å; L176-M178 VanDerWaalsContact C-N 3.29Å; L176-M178 PolarHBondContact O-N 3Å; M178-S180 VanDerWaalsContact C-N 3.25Å; M178-S180 PolarHBondContact O-N 2.98Å; M178-N181 WeakPolarHBondContact O-CB 3.06Å; M178-N181 PolarHBondContact O-N 3.13Å; M178-I193 HydrophobicContact CB-CD1 4.32Å; M178-I193 HydrophobicContact CB-CG2 4.46Å; M178-I193 WeakPolarHBondContact O-CG2 3.26Å; M178-A196 HydrophobicContact CE-CB 3.47Å; M178-A196 VanDerWaalsContact CE-CB 3.47Å; M178-L197 HydrophobicContact CB-CD2 4.32Å; M178-L197 HydrophobicContact CE-CD2 4.01Å; M178-L197 HydrophobicContact CE-CG 4.02Å; M178-L197 HydrophobicContact SD-CD2 4.22Å |
| 179 | L | 96.6 | Very high | 95.1 | Very high | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -33.6 | -178.3 | -67.9 | -179.8 | 0 | 0 | 0 | 112.6 | L175 L176 N181 L182 L197 V212 P215 | L175-L179 HydrophobicContact CD1-CD1 4.15Å; L175-L179 HydrophobicContact CD1-CD2 4.38Å; L175-L179 HydrophobicContact CD1-CG 4.02Å; L175-L179 HydrophobicContact CD2-CD1 4.49Å; L175-L179 HydrophobicContact CG-CD1 3.96Å; L175-L179 HydrophobicContact CG-CG 4.22Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.42Å; L176-L179 PolarHBondContact O-N 3.24Å; L179-N181 PolarHBondContact O-N 3.34Å; L179-N181 VanDerWaalsContact O-N 3.09Å; L179-L182 HydrophobicContact CD2-CD1 3.54Å; L179-L182 WeakPolarHBondContact O-CB 3.44Å; L179-L182 PolarHBondContact O-N 3.05Å; L179-L182 VanDerWaalsContact O-N 3.08Å; L179-L197 HydrophobicContact CD2-CD1 4.26Å; L179-V212 HydrophobicContact CD1-CG2 4.46Å; L179-V212 HydrophobicContact CD2-CB 4.43Å; L179-V212 HydrophobicContact CD2-CG1 4.09Å; L179-V212 HydrophobicContact CD2-CG2 4.01Å; L179-P215 HydrophobicContact CD2-CB 4.28Å; L179-P215 HydrophobicContact CD2-CG 4.37Å |
| 180 | S | 94.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 44% | 0.441 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.3 | 175.6 | 77.9 | 0 | 0 | 0 | 0 | 113.6 | L176 P177 M178 | L176-S180 PolarHBondContact O-N 2.85Å; P177-S180 PolarHBondContact O-OG 3.32Å; M178-S180 VanDerWaalsContact C-N 3.25Å; M178-S180 PolarHBondContact O-N 2.98Å |
| 181 | N | 97 | Very high | 95.7 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -6.2 | -179.7 | -69.1 | -65.5 | 0 | 0 | 0 | 114 | L141 K149 P177 M178 L179 T183 H184 V189 I193 | L141-N181 PolarHBondContact O-ND2 3.41Å; K149-N181 WeakPolarHBondContact CD-OD1 3.23Å; K149-N181 WeakPolarHBondContact CE-OD1 3.22Å; P177-N181 PolarHBondContact O-ND2 3.16Å; M178-N181 WeakPolarHBondContact O-CB 3.06Å; M178-N181 PolarHBondContact O-N 3.13Å; L179-N181 PolarHBondContact O-N 3.34Å; L179-N181 VanDerWaalsContact O-N 3.09Å; N181-T183 PolarHBondContact O-N 3.28Å; N181-H184 WeakPolarHBondContact O-CB 3.08Å; N181-H184 PolarHBondContact O-N 3.41Å; N181-H184 VanDerWaalsContact O-N 3.15Å; N181-V189 HydrophobicContact CB-CG1 4.21Å; N181-I193 HydrophobicContact CB-CD1 3.68Å; N181-I193 HydrophobicContact CB-CG1 3.67Å |
| 182 | L | 96.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.5 | 175 | -76.9 | 176.5 | 0 | 0 | 0 | 112.1 | L179 R190 I193 V194 L197 P215 R219 | L179-L182 HydrophobicContact CD2-CD1 3.54Å; L179-L182 WeakPolarHBondContact O-CB 3.44Å; L179-L182 PolarHBondContact O-N 3.05Å; L179-L182 VanDerWaalsContact O-N 3.08Å; L182-R190 WeakPolarHBondContact O-CD 3.4Å; L182-R190 WeakPolarHBondContact O-CG 3.18Å; L182-I193 HydrophobicContact CD2-CB 4.3Å; L182-I193 HydrophobicContact CD2-CG2 3.56Å; L182-I193 HydrophobicContact CG-CG2 3.83Å; L182-V194 HydrophobicContact CD2-CG2 3.67Å; L182-L197 HydrophobicContact CD1-CD1 4.07Å; L182-L197 HydrophobicContact CD2-CD1 4.11Å; L182-L197 HydrophobicContact CG-CD1 4.35Å; L182-P215 HydrophobicContact CD1-CB 3.61Å; L182-R219 HydrophobicContact CD2-CG 4.43Å; L182-R219 WeakPolarHBondContact O-CD 3.38Å; L182-R219 PolarHBondContact O-NH1 3.2Å |
| 183 | T | 94.3 | Very high | 96.2 | Very high | 95 Ų | 95 | 47.9 Ų | 47.9 | 58% | 0.583 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 8.1 | 177.2 | 51.5 | 0 | 0 | 0 | 0 | 113 | N181 R219 | N181-T183 PolarHBondContact O-N 3.28Å; T183-R219 VanDerWaalsContact CG2-NH1 3.26Å |
| 184 | H | 96.6 | Very high | 96.5 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 17% | 0.171 | 24% | 0.237 | C | C | . | . | trans | -62.7 | 142.1 | -177.3 | -170.4 | -96.7 | 0 | 0 | 0 | 111.7 | K149 N181 H186 V189 R190 | K149-H184 PolarHBondContact NZ-NE2 2.94Å; N181-H184 WeakPolarHBondContact O-CB 3.08Å; N181-H184 PolarHBondContact O-N 3.41Å; N181-H184 VanDerWaalsContact O-N 3.15Å; H184-H186 VanDerWaalsContact C-N 3.3Å; H184-H186 AromaticContact CE1-CD2 3.36Å; H184-H186 PolarHBondContact CE1-CD2 3.13Å; H184-H186 AromaticContact CE1-CG 3.99Å; H184-H186 AromaticContact ND1-CD2 3.81Å; H184-H186 PolarHBondContact ND1-N 3.33Å; H184-H186 PolarHBondContact O-N 2.84Å; H184-V189 HydrophobicContact CB-CB 4.47Å; H184-V189 HydrophobicContact CB-CG1 4.23Å; H184-R190 HydrophobicContact CB-CG 4.39Å; H184-R190 WeakPolarHBondContact O-CD 3.5Å; H184-R190 VanDerWaalsContact O-CG 3.27Å; H184-R190 WeakPolarHBondContact O-CG 3.49Å; H184-R190 PolarHBondContact O-NH1 2.73Å | ||
| 185 | Q | 94.3 | Very high | 96.6 | Very high | 161 Ų | 161 | 48.4 Ų | 48.4 | 75% | 0.752 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -59.6 | -34.7 | -174.8 | 69.8 | -172.6 | 4.7 | 0 | 0 | 114.3 | S187 R190 | Q185-S187 PolarHBondContact O-N 2.74Å; Q185-R190 VanDerWaalsContact C-NH1 3.27Å; Q185-R190 PolarHBondContact O-NH1 2.95Å |
| 186 | H | 95.8 | Very high | 96.8 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | trans | -80.8 | 113.6 | 179.7 | -64.8 | -91.4 | 0 | 0 | 0 | 111.1 | H184 K188 V189 R190 | H184-H186 VanDerWaalsContact C-N 3.3Å; H184-H186 AromaticContact CE1-CD2 3.36Å; H184-H186 PolarHBondContact CE1-CD2 3.13Å; H184-H186 AromaticContact CE1-CG 3.99Å; H184-H186 AromaticContact ND1-CD2 3.81Å; H184-H186 PolarHBondContact ND1-N 3.33Å; H184-H186 PolarHBondContact O-N 2.84Å; H186-K188 VanDerWaalsContact C-N 3.25Å; H186-K188 PolarHBondContact O-N 2.79Å; H186-V189 HydrophobicContact CB-CG2 4.02Å; H186-V189 WeakPolarHBondContact O-CB 3.37Å; H186-V189 PolarHBondContact O-N 3.21Å; H186-R190 PolarHBondContact O-N 3.06Å | ||
| 187 | S | 97.2 | Very high | 96.9 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.2 | -34.5 | -179.9 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | Q185 V189 R190 L191 | Q185-S187 PolarHBondContact O-N 2.74Å; S187-V189 VanDerWaalsContact C-N 3.28Å; S187-V189 PolarHBondContact O-N 2.77Å; S187-R190 PolarHBondContact O-N 3.38Å; S187-L191 WeakPolarHBondContact O-CB 3.25Å; S187-L191 PolarHBondContact O-N 2.89Å |
| 188 | K | 97.9 | Very high | 97 | Very high | 147 Ų | 147 | 41.3 Ų | 41.3 | 64% | 0.639 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.7 | -34.2 | 175 | -69 | -177.5 | 179.5 | 177.5 | 0 | 113.1 | K150 H186 E192 | K150-K188 HydrophobicContact CD-CB 4.44Å; H186-K188 VanDerWaalsContact C-N 3.25Å; H186-K188 PolarHBondContact O-N 2.79Å; K188-E192 WeakPolarHBondContact O-CB 3.46Å; K188-E192 WeakPolarHBondContact O-CG 3.25Å; K188-E192 PolarHBondContact O-N 2.73Å; K188-E192 VanDerWaalsContact O-N 3.13Å |
| 189 | V | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.4 | -47.3 | 175 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | H146 K149 K150 N181 H184 H186 S187 L191 E192 I193 | H146-V189 HydrophobicContact CB-CG2 3.69Å; K149-V189 HydrophobicContact CB-CG1 4.34Å; K149-V189 HydrophobicContact CD-CG1 4.09Å; K150-V189 HydrophobicContact CG-CG2 4.27Å; N181-V189 HydrophobicContact CB-CG1 4.21Å; H184-V189 HydrophobicContact CB-CB 4.47Å; H184-V189 HydrophobicContact CB-CG1 4.23Å; H186-V189 HydrophobicContact CB-CG2 4.02Å; H186-V189 WeakPolarHBondContact O-CB 3.37Å; H186-V189 PolarHBondContact O-N 3.21Å; S187-V189 VanDerWaalsContact C-N 3.28Å; S187-V189 PolarHBondContact O-N 2.77Å; V189-L191 VanDerWaalsContact C-N 3.29Å; V189-L191 PolarHBondContact O-N 3.24Å; V189-E192 PolarHBondContact O-N 3.12Å; V189-I193 HydrophobicContact CG1-CG1 4.35Å; V189-I193 WeakPolarHBondContact O-CG1 3.48Å; V189-I193 PolarHBondContact O-N 3.36Å |
| 190 | R | 98.2 | Very high | 96.9 | Very high | 22 Ų | 22 | 43 Ų | 43 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.7 | -44.8 | 176.7 | -58.6 | -166.4 | -62.5 | -90.2 | 10.1 | 111.5 | L182 H184 Q185 H186 S187 I193 V194 D222 V227 | L182-R190 WeakPolarHBondContact O-CD 3.4Å; L182-R190 WeakPolarHBondContact O-CG 3.18Å; H184-R190 HydrophobicContact CB-CG 4.39Å; H184-R190 WeakPolarHBondContact O-CD 3.5Å; H184-R190 VanDerWaalsContact O-CG 3.27Å; H184-R190 WeakPolarHBondContact O-CG 3.49Å; H184-R190 PolarHBondContact O-NH1 2.73Å; Q185-R190 VanDerWaalsContact C-NH1 3.27Å; Q185-R190 PolarHBondContact O-NH1 2.95Å; H186-R190 PolarHBondContact O-N 3.06Å; S187-R190 PolarHBondContact O-N 3.38Å; R190-I193 PolarHBondContact O-N 3.48Å; R190-V194 WeakPolarHBondContact O-CG2 3.48Å; R190-V194 PolarHBondContact O-N 2.99Å; R190-D222 IonicContact CZ-OD1 3.58Å; R190-D222 IonicContact CZ-OD2 2.68Å; R190-D222 IonicContact NE-OD1 3.8Å; R190-D222 IonicContact NE-OD2 2.63Å; R190-D222 PolarHBondContact NE-OD2 3.03Å; R190-D222 IonicContact NH2-OD1 2.77Å; R190-D222 PolarHBondContact NH2-OD1 3.22Å; R190-D222 IonicContact NH2-OD2 2.74Å; R190-D222 PolarHBondContact NH2-OD2 2.91Å; R190-V227 HydrophobicContact CB-CG1 4.31Å; R190-V227 HydrophobicContact CB-CG2 4.15Å |
| 191 | L | 98.2 | Very high | 97 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.2 | -53.2 | 176.2 | 176.2 | 61.8 | 0 | 0 | 0 | 111.9 | S187 V189 I193 V194 V195 A226 V227 A230 | S187-L191 WeakPolarHBondContact O-CB 3.25Å; S187-L191 PolarHBondContact O-N 2.89Å; V189-L191 VanDerWaalsContact C-N 3.29Å; V189-L191 PolarHBondContact O-N 3.24Å; L191-I193 VanDerWaalsContact C-N 3.26Å; L191-I193 PolarHBondContact O-N 2.63Å; L191-V194 PolarHBondContact O-N 3.16Å; L191-V195 HydrophobicContact CD1-CG2 4.27Å; L191-V195 WeakPolarHBondContact O-CG2 3.28Å; L191-V195 PolarHBondContact O-N 3.37Å; L191-A226 HydrophobicContact CD2-CB 4.49Å; L191-V227 HydrophobicContact CB-CG2 4.22Å; L191-A230 HydrophobicContact CD1-CB 3.46Å; L191-A230 VanDerWaalsContact CD1-CB 3.46Å |
| 192 | E | 98.1 | Very high | 96.8 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -32.8 | -179.8 | -69.7 | -92.3 | -164.5 | 0 | 0 | 111.9 | K150 R154 K188 V189 A196 | K150-E192 HydrophobicContact CB-CB 4.45Å; K150-E192 HydrophobicContact CB-CG 4.21Å; K150-E192 HydrophobicContact CD-CG 3.97Å; K150-E192 HydrophobicContact CG-CB 4.13Å; K150-E192 HydrophobicContact CG-CG 3.87Å; R154-E192 IonicContact CZ-OE1 3.1Å; R154-E192 IonicContact NE-OE1 3.54Å; R154-E192 IonicContact NE-OE2 2.77Å; R154-E192 IonicContact NH2-OE1 2.95Å; R154-E192 PolarHBondContact NH2-OE1 2.98Å; K188-E192 WeakPolarHBondContact O-CB 3.46Å; K188-E192 WeakPolarHBondContact O-CG 3.25Å; K188-E192 PolarHBondContact O-N 2.73Å; K188-E192 VanDerWaalsContact O-N 3.13Å; V189-E192 PolarHBondContact O-N 3.12Å; E192-A196 WeakPolarHBondContact O-CB 3.38Å; E192-A196 PolarHBondContact O-N 3.21Å |
| 193 | I | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -45.3 | 173.6 | -66.9 | -78.9 | 0 | 0 | 0 | 111.2 | L141 C153 M178 N181 L182 V189 R190 L191 A196 L197 | L141-I193 HydrophobicContact CD2-CD1 4.22Å; C153-I193 WeakPolarHBondContact SG-CD1 3.16Å; M178-I193 HydrophobicContact CB-CD1 4.32Å; M178-I193 HydrophobicContact CB-CG2 4.46Å; M178-I193 WeakPolarHBondContact O-CG2 3.26Å; N181-I193 HydrophobicContact CB-CD1 3.68Å; N181-I193 HydrophobicContact CB-CG1 3.67Å; L182-I193 HydrophobicContact CD2-CB 4.3Å; L182-I193 HydrophobicContact CD2-CG2 3.56Å; L182-I193 HydrophobicContact CG-CG2 3.83Å; V189-I193 HydrophobicContact CG1-CG1 4.35Å; V189-I193 WeakPolarHBondContact O-CG1 3.48Å; V189-I193 PolarHBondContact O-N 3.36Å; R190-I193 PolarHBondContact O-N 3.48Å; L191-I193 VanDerWaalsContact C-N 3.26Å; L191-I193 PolarHBondContact O-N 2.63Å; I193-A196 PolarHBondContact O-N 3.12Å; I193-L197 HydrophobicContact CG2-CD1 3.95Å; I193-L197 HydrophobicContact CG2-CG 4.3Å; I193-L197 WeakPolarHBondContact O-CB 3.33Å; I193-L197 VanDerWaalsContact O-CG 3.26Å; I193-L197 WeakPolarHBondContact O-CG 3.35Å; I193-L197 PolarHBondContact O-N 3.32Å |
| 194 | V | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -50.7 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 110 | L182 R190 L191 A196 L197 E198 L216 A230 V231 L234 | L182-V194 HydrophobicContact CD2-CG2 3.67Å; R190-V194 WeakPolarHBondContact O-CG2 3.48Å; R190-V194 PolarHBondContact O-N 2.99Å; L191-V194 PolarHBondContact O-N 3.16Å; V194-A196 VanDerWaalsContact C-N 3.27Å; V194-A196 PolarHBondContact O-N 2.74Å; V194-L197 PolarHBondContact O-N 3.35Å; V194-L197 VanDerWaalsContact O-N 3.13Å; V194-E198 PolarHBondContact O-N 3.21Å; V194-L216 HydrophobicContact CG1-CD2 4.44Å; V194-L216 HydrophobicContact CG2-CD2 4.23Å; V194-A230 HydrophobicContact CB-CB 4.24Å; V194-A230 VanDerWaalsContact CG1-C 3.48Å; V194-A230 HydrophobicContact CG1-CB 3.72Å; V194-A230 WeakPolarHBondContact CG1-O 3.37Å; V194-V231 HydrophobicContact CG1-CG2 4.06Å; V194-V231 HydrophobicContact CG2-CG2 4.18Å; V194-L234 HydrophobicContact CG1-CB 4.27Å; V194-L234 HydrophobicContact CG1-CD1 3.86Å; V194-L234 WeakPolarHBondContact O-CD1 3.27Å |
| 195 | V | 98.3 | Very high | 96.3 | Very high | 57 Ų | 57 | 39.7 Ų | 39.7 | 35% | 0.345 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.8 | -39.2 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | L191 E198 A230 | L191-V195 HydrophobicContact CD1-CG2 4.27Å; L191-V195 WeakPolarHBondContact O-CG2 3.28Å; L191-V195 PolarHBondContact O-N 3.37Å; V195-E198 WeakPolarHBondContact O-CB 3.31Å; V195-E198 PolarHBondContact O-N 3.05Å; V195-A230 HydrophobicContact CG2-CB 4.34Å |
| 196 | A | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | C153 V157 M178 E192 I193 V194 E198 K199 V200 | C153-A196 HydrophobicContact CB-CB 3.72Å; V157-A196 HydrophobicContact CG2-CB 3.8Å; M178-A196 HydrophobicContact CE-CB 3.47Å; M178-A196 VanDerWaalsContact CE-CB 3.47Å; E192-A196 WeakPolarHBondContact O-CB 3.38Å; E192-A196 PolarHBondContact O-N 3.21Å; I193-A196 PolarHBondContact O-N 3.12Å; V194-A196 VanDerWaalsContact C-N 3.27Å; V194-A196 PolarHBondContact O-N 2.74Å; A196-E198 VanDerWaalsContact C-N 3.26Å; A196-E198 PolarHBondContact O-N 3.29Å; A196-K199 PolarHBondContact O-N 3.26Å; A196-V200 VanDerWaalsContact O-CB 3.24Å; A196-V200 WeakPolarHBondContact O-CB 3.42Å; A196-V200 WeakPolarHBondContact O-CG2 3.32Å; A196-V200 PolarHBondContact O-N 3.12Å |
| 197 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.5 | -38.9 | 175.4 | -76.2 | 170 | 0 | 0 | 0 | 111.4 | L175 M178 L179 L182 I193 V194 K199 L201 V212 L234 | L175-L197 HydrophobicContact CD1-CD2 3.92Å; M178-L197 HydrophobicContact CB-CD2 4.32Å; M178-L197 HydrophobicContact CE-CD2 4.01Å; M178-L197 HydrophobicContact CE-CG 4.02Å; M178-L197 HydrophobicContact SD-CD2 4.22Å; L179-L197 HydrophobicContact CD2-CD1 4.26Å; L182-L197 HydrophobicContact CD1-CD1 4.07Å; L182-L197 HydrophobicContact CD2-CD1 4.11Å; L182-L197 HydrophobicContact CG-CD1 4.35Å; I193-L197 HydrophobicContact CG2-CD1 3.95Å; I193-L197 HydrophobicContact CG2-CG 4.3Å; I193-L197 WeakPolarHBondContact O-CB 3.33Å; I193-L197 VanDerWaalsContact O-CG 3.26Å; I193-L197 WeakPolarHBondContact O-CG 3.35Å; I193-L197 PolarHBondContact O-N 3.32Å; V194-L197 PolarHBondContact O-N 3.35Å; V194-L197 VanDerWaalsContact O-N 3.13Å; L197-K199 PolarHBondContact O-N 2.89Å; L197-L201 HydrophobicContact CD2-CD1 4.32Å; L197-L201 WeakPolarHBondContact O-CB 3.2Å; L197-L201 PolarHBondContact O-N 2.77Å; L197-L201 VanDerWaalsContact O-N 3.15Å; L197-V212 HydrophobicContact CD1-CG1 3.93Å; L197-V212 HydrophobicContact CD2-CG1 4.45Å; L197-L234 HydrophobicContact CB-CD1 3.99Å |
| 198 | E | 96.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -52.4 | -55.9 | 174.9 | -177.2 | -168.4 | 146.3 | 0 | 0 | 111.1 | V194 V195 A196 L202 L234 S237 W238 | V194-E198 PolarHBondContact O-N 3.21Å; V195-E198 WeakPolarHBondContact O-CB 3.31Å; V195-E198 PolarHBondContact O-N 3.05Å; A196-E198 VanDerWaalsContact C-N 3.26Å; A196-E198 PolarHBondContact O-N 3.29Å; E198-L202 WeakPolarHBondContact O-CG 3.5Å; E198-L234 HydrophobicContact CB-CB 4Å; E198-L234 HydrophobicContact CB-CD1 4.04Å; E198-L234 HydrophobicContact CB-CG 3.75Å; E198-L234 HydrophobicContact CG-CB 4.24Å; E198-L234 HydrophobicContact CG-CG 4.22Å; E198-S237 WeakPolarHBondContact OE1-CB 3.37Å; E198-S237 PolarHBondContact OE1-OG 3.34Å; E198-W238 PolarHBondContact O-NE1 3.49Å |
| 199 | K | 95.5 | Very high | 95.1 | Very high | 65 Ų | 65 | 25.6 Ų | 25.6 | 28% | 0.283 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -76.8 | -42.3 | -174.4 | -54 | -58.5 | 177.2 | -162.5 | 0 | 113 | V157 A196 L197 L201 L202 | V157-K199 HydrophobicContact CG1-CB 3.95Å; V157-K199 HydrophobicContact CG1-CG 4.03Å; V157-K199 HydrophobicContact CG2-CB 4.17Å; V157-K199 HydrophobicContact CG2-CG 4.45Å; A196-K199 PolarHBondContact O-N 3.26Å; L197-K199 PolarHBondContact O-N 2.89Å; K199-L201 PolarHBondContact O-N 2.75Å; K199-L202 PolarHBondContact O-N 2.96Å |
| 200 | V | 96.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | -177.7 | 166.5 | 0 | 0 | 0 | 0 | 111.2 | A156 F167 I174 A196 L202 H203 S204 | A156-V200 HydrophobicContact CB-CG2 3.99Å; F167-V200 HydrophobicContact CE1-CG1 4.39Å; F167-V200 HydrophobicContact CZ-CG1 4.09Å; I174-V200 HydrophobicContact CD1-CG1 4.02Å; A196-V200 VanDerWaalsContact O-CB 3.24Å; A196-V200 WeakPolarHBondContact O-CB 3.42Å; A196-V200 WeakPolarHBondContact O-CG2 3.32Å; A196-V200 PolarHBondContact O-N 3.12Å; V200-L202 PolarHBondContact O-N 3.41Å; V200-H203 PolarHBondContact O-N 3.05Å; V200-S204 PolarHBondContact O-N 3.29Å; V200-S204 PolarHBondContact O-OG 3.46Å |
| 201 | L | 95.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -76.3 | -20.9 | -175.7 | -68.9 | -179.4 | 0 | 0 | 0 | 114 | L197 K199 H203 S204 L208 V212 W238 | L197-L201 HydrophobicContact CD2-CD1 4.32Å; L197-L201 WeakPolarHBondContact O-CB 3.2Å; L197-L201 PolarHBondContact O-N 2.77Å; L197-L201 VanDerWaalsContact O-N 3.15Å; K199-L201 PolarHBondContact O-N 2.75Å; L201-H203 PolarHBondContact O-N 2.95Å; L201-S204 PolarHBondContact O-N 3.49Å; L201-L208 HydrophobicContact CD2-CB 3.88Å; L201-L208 HydrophobicContact CD2-CD1 4.23Å; L201-V212 HydrophobicContact CD1-CB 4.25Å; L201-V212 HydrophobicContact CD1-CG1 4.43Å; L201-V212 HydrophobicContact CD1-CG2 3.72Å; L201-W238 HydrophobicContact CB-CZ2 3.77Å; L201-W238 HydrophobicContact CD1-CH2 3.57Å; L201-W238 HydrophobicContact CD1-CZ2 3.55Å; L201-W238 HydrophobicContact CG-CZ2 4.21Å |
| 202 | L | 92.9 | Very high | 94.6 | Very high | 28 Ų | 28 | 29.8 Ų | 29.8 | 15% | 0.147 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.6 | -22.2 | 169.8 | -73.5 | 170.5 | 0 | 0 | 0 | 113 | E198 K199 V200 D241 L242 | E198-L202 WeakPolarHBondContact O-CG 3.5Å; K199-L202 PolarHBondContact O-N 2.96Å; V200-L202 PolarHBondContact O-N 3.41Å; L202-D241 HydrophobicContact CD2-CB 4.44Å; L202-L242 HydrophobicContact CD2-CB 4.23Å; L202-L242 HydrophobicContact CD2-CD1 4.18Å |
| 203 | H | 92.3 | Very high | 94.5 | Very high | 55 Ų | 55 | 28.3 Ų | 28.3 | 26% | 0.255 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 20.8 | -179.6 | -60.2 | -44.3 | 0 | 0 | 0 | 112.9 | S160 F167 V200 L201 | S160-H203 PolarHBondContact O-CD2 3.45Å; F167-H203 HydrophobicContact CD1-CB 4.48Å; V200-H203 PolarHBondContact O-N 3.05Å; L201-H203 PolarHBondContact O-N 2.95Å |
| 204 | S | 93.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -118.9 | 175.3 | 179.4 | -61.9 | 0 | 0 | 0 | 0 | 112 | Y168 S171 V200 L201 G206 | Y168-S204 VanDerWaalsContact CE2-C 3.41Å; Y168-S204 VanDerWaalsContact CE2-O 3.24Å; Y168-S204 WeakPolarHBondContact CE2-O 2.79Å; S171-S204 VanDerWaalsContact CB-OG 3.31Å; S171-S204 WeakPolarHBondContact CB-OG 3.48Å; S171-S204 WeakPolarHBondContact OG-CB 3.1Å; S171-S204 PolarHBondContact OG-OG 3.04Å; V200-S204 PolarHBondContact O-N 3.29Å; V200-S204 PolarHBondContact O-OG 3.46Å; L201-S204 PolarHBondContact O-N 3.49Å; S204-G206 PolarHBondContact O-N 3.4Å |
| 205 | Q | 90.9 | Very high | 94.3 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | trans | -62.4 | 125.6 | 176.1 | -63.4 | 173.9 | 13.8 | 0 | 0 | 111 | Y168 K207 L208 | Y168-Q205 HydrophobicContact CD1-CG 4.25Å; Y168-Q205 HydrophobicContact CE1-CG 3.75Å; Y168-Q205 HydrophobicContact CE2-CB 4.48Å; Y168-Q205 HydrophobicContact CE2-CG 4.13Å; Y168-Q205 WeakPolarHBondContact O-CG 3.5Å; Y168-Q205 PolarHBondContact O-NE2 3.44Å; Q205-K207 HydrophobicContact CB-CG 4.16Å; Q205-K207 PolarHBondContact O-N 2.87Å; Q205-K207 VanDerWaalsContact O-N 3.1Å; Q205-L208 HydrophobicContact CB-CD1 4.41Å; Q205-L208 HydrophobicContact CB-CG 4.3Å; Q205-L208 WeakPolarHBondContact O-CB 3.24Å; Q205-L208 WeakPolarHBondContact O-CG 3.38Å; Q205-L208 PolarHBondContact O-N 3.5Å | ||
| 206 | G | 85.9 | Confident | 94.3 | Very high | 24 Ų | 24 | 30 Ų | 30 | 25% | 0.247 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S204 L208 V209 Y248 | S204-G206 PolarHBondContact O-N 3.4Å; G206-L208 PolarHBondContact O-N 3.49Å; G206-V209 VanDerWaalsContact O-CB 3.32Å; G206-V209 WeakPolarHBondContact O-CB 3.49Å; G206-V209 WeakPolarHBondContact O-CG2 3.25Å; G206-V209 PolarHBondContact O-N 3.15Å; G206-Y248 VanDerWaalsContact C-OH 3.23Å; G206-Y248 PolarHBondContact O-OH 2.75Å; G206-Y248 VanDerWaalsContact O-OH 3.05Å |
| 207 | K | 89.1 | Confident | 94.2 | Very high | 111 Ų | 111 | 32.3 Ų | 32.3 | 48% | 0.483 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -23.9 | 177.3 | 60.7 | 162.5 | 178.8 | 152.4 | 0 | 114.1 | E172 Q205 V209 Y248 | E172-K207 IonicContact OE1-NZ 3.39Å; E172-K207 IonicContact OE2-NZ 2.75Å; E172-K207 PolarHBondContact OE2-NZ 2.83Å; Q205-K207 HydrophobicContact CB-CG 4.16Å; Q205-K207 PolarHBondContact O-N 2.87Å; Q205-K207 VanDerWaalsContact O-N 3.1Å; K207-V209 VanDerWaalsContact C-N 3.28Å; K207-V209 PolarHBondContact O-N 3.12Å; K207-Y248 PolarHBondContact N-OH 3.2Å |
| 208 | L | 92.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.6 | -25.8 | -179.6 | -61.5 | -179.2 | 0 | 0 | 0 | 112.6 | E172 L175 L201 Q205 G206 E210 N211 | E172-L208 HydrophobicContact CB-CD1 3.94Å; E172-L208 HydrophobicContact CB-CD2 3.96Å; E172-L208 HydrophobicContact CG-CD1 4.49Å; E172-L208 HydrophobicContact CG-CD2 3.6Å; L175-L208 HydrophobicContact CD2-CB 4.08Å; L175-L208 HydrophobicContact CD2-CD2 4.01Å; L175-L208 HydrophobicContact CD2-CG 4.45Å; L201-L208 HydrophobicContact CD2-CB 3.88Å; L201-L208 HydrophobicContact CD2-CD1 4.23Å; Q205-L208 HydrophobicContact CB-CD1 4.41Å; Q205-L208 HydrophobicContact CB-CG 4.3Å; Q205-L208 WeakPolarHBondContact O-CB 3.24Å; Q205-L208 WeakPolarHBondContact O-CG 3.38Å; Q205-L208 PolarHBondContact O-N 3.5Å; G206-L208 PolarHBondContact O-N 3.49Å; L208-E210 PolarHBondContact O-N 2.84Å; L208-N211 WeakPolarHBondContact O-CB 3.48Å; L208-N211 PolarHBondContact O-N 3.05Å; L208-N211 VanDerWaalsContact O-N 3.13Å |
| 209 | V | 93.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57 | -41.3 | 179.1 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | G206 K207 N211 V212 I213 W238 L242 Y248 | G206-V209 VanDerWaalsContact O-CB 3.32Å; G206-V209 WeakPolarHBondContact O-CB 3.49Å; G206-V209 WeakPolarHBondContact O-CG2 3.25Å; G206-V209 PolarHBondContact O-N 3.15Å; K207-V209 VanDerWaalsContact C-N 3.28Å; K207-V209 PolarHBondContact O-N 3.12Å; V209-N211 VanDerWaalsContact C-N 3.27Å; V209-N211 PolarHBondContact O-N 3.15Å; V209-V212 PolarHBondContact O-N 3.05Å; V209-I213 HydrophobicContact CG1-CD1 4.34Å; V209-I213 HydrophobicContact CG1-CG1 4.43Å; V209-I213 WeakPolarHBondContact O-CG1 3.41Å; V209-I213 PolarHBondContact O-N 2.99Å; V209-W238 HydrophobicContact CG1-CE3 3.92Å; V209-W238 HydrophobicContact CG1-CH2 4.46Å; V209-W238 HydrophobicContact CG1-CZ3 3.72Å; V209-L242 HydrophobicContact CG1-CD2 4.18Å; V209-L242 HydrophobicContact CG2-CD1 4.02Å; V209-L242 HydrophobicContact CG2-CD2 3.87Å; V209-Y248 HydrophobicContact CB-CD1 4.46Å; V209-Y248 HydrophobicContact CB-CE1 4.37Å; V209-Y248 HydrophobicContact CG1-CD1 4.14Å; V209-Y248 HydrophobicContact CG1-CD2 4.47Å; V209-Y248 HydrophobicContact CG1-CG 4.11Å |
| 210 | E | 93 | Very high | 94.1 | Very high | 73 Ų | 73 | 35.5 Ų | 35.5 | 34% | 0.341 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -54.6 | -42.1 | 178 | -173.8 | 63 | -157.1 | 0 | 0 | 112.8 | L208 V212 I213 Y248 K251 | L208-E210 PolarHBondContact O-N 2.84Å; E210-V212 PolarHBondContact O-N 2.81Å; E210-I213 PolarHBondContact O-N 2.89Å; E210-Y248 HydrophobicContact CB-CE1 4.37Å; E210-K251 IonicContact OE1-NZ 3.67Å; E210-K251 PolarHBondContact OE1-NZ 2.91Å; E210-K251 WeakPolarHBondContact OE2-CD 3.32Å; E210-K251 IonicContact OE2-NZ 3.72Å; E210-K251 PolarHBondContact OE2-NZ 3.31Å |
| 211 | N | 93.9 | Very high | 94.1 | Very high | 89 Ų | 89 | 39.9 Ų | 39.9 | 48% | 0.476 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.8 | -16.8 | -177.9 | -63.1 | -18.9 | 0 | 0 | 0 | 112.9 | L175 L208 V209 P215 | L175-N211 HydrophobicContact CD2-CB 4.27Å; L208-N211 WeakPolarHBondContact O-CB 3.48Å; L208-N211 PolarHBondContact O-N 3.05Å; L208-N211 VanDerWaalsContact O-N 3.13Å; V209-N211 VanDerWaalsContact C-N 3.27Å; V209-N211 PolarHBondContact O-N 3.15Å; N211-P215 WeakPolarHBondContact O-CD 3.37Å |
| 212 | V | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -101.5 | -23.2 | -174.3 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | L175 L179 L197 L201 V209 E210 A214 P215 L216 W238 | L175-V212 HydrophobicContact CD1-CG2 3.59Å; L175-V212 HydrophobicContact CD2-CG2 4.32Å; L175-V212 HydrophobicContact CG-CG2 4.47Å; L179-V212 HydrophobicContact CD1-CG2 4.46Å; L179-V212 HydrophobicContact CD2-CB 4.43Å; L179-V212 HydrophobicContact CD2-CG1 4.09Å; L179-V212 HydrophobicContact CD2-CG2 4.01Å; L197-V212 HydrophobicContact CD1-CG1 3.93Å; L197-V212 HydrophobicContact CD2-CG1 4.45Å; L201-V212 HydrophobicContact CD1-CB 4.25Å; L201-V212 HydrophobicContact CD1-CG1 4.43Å; L201-V212 HydrophobicContact CD1-CG2 3.72Å; V209-V212 PolarHBondContact O-N 3.05Å; E210-V212 PolarHBondContact O-N 2.81Å; V212-A214 PolarHBondContact O-N 3.48Å; V212-P215 VanDerWaalsContact O-CD 3.31Å; V212-P215 WeakPolarHBondContact O-CD 3.46Å; V212-L216 HydrophobicContact CG1-CD1 3.62Å; V212-L216 HydrophobicContact CG1-CD2 4.46Å; V212-L216 HydrophobicContact CG1-CG 3.7Å; V212-L216 WeakPolarHBondContact O-CB 3.46Å; V212-L216 WeakPolarHBondContact O-CG 3.48Å; V212-L216 PolarHBondContact O-N 2.92Å; V212-W238 HydrophobicContact CB-CH2 4.4Å; V212-W238 HydrophobicContact CG1-CH2 4.15Å |
| 213 | I | 96.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.8 | -53.9 | -177.2 | -69.4 | 170.1 | 0 | 0 | 0 | 111.2 | V209 E210 L216 T217 K251 L252 L255 | V209-I213 HydrophobicContact CG1-CD1 4.34Å; V209-I213 HydrophobicContact CG1-CG1 4.43Å; V209-I213 WeakPolarHBondContact O-CG1 3.41Å; V209-I213 PolarHBondContact O-N 2.99Å; E210-I213 PolarHBondContact O-N 2.89Å; I213-L216 PolarHBondContact O-N 3.31Å; I213-L216 VanDerWaalsContact O-N 3.15Å; I213-T217 PolarHBondContact O-N 2.66Å; I213-T217 PolarHBondContact O-OG1 3.48Å; I213-K251 HydrophobicContact CD1-CB 3.78Å; I213-K251 HydrophobicContact CD1-CD 4.1Å; I213-K251 HydrophobicContact CG2-CB 4.43Å; I213-L252 HydrophobicContact CD1-CD2 4.19Å; I213-L252 HydrophobicContact CG1-CD2 4Å; I213-L255 HydrophobicContact CG2-CD2 4.27Å |
| 214 | A | 95.4 | Very high | 94.5 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 51% | 0.512 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -46.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | V212 L216 T217 Q218 | V212-A214 PolarHBondContact O-N 3.48Å; A214-L216 VanDerWaalsContact C-N 3.3Å; A214-L216 PolarHBondContact O-N 2.89Å; A214-T217 WeakPolarHBondContact O-CB 3.38Å; A214-T217 PolarHBondContact O-N 3.47Å; A214-Q218 PolarHBondContact O-N 2.77Å |
| 215 | P | 97.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 21% | 0.208 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.7 | -38.6 | 170.5 | -28.6 | 34.3 | 0 | 0 | 0 | 114.6 | L179 L182 N211 V212 Q218 R219 | L179-P215 HydrophobicContact CD2-CB 4.28Å; L179-P215 HydrophobicContact CD2-CG 4.37Å; L182-P215 HydrophobicContact CD1-CB 3.61Å; N211-P215 WeakPolarHBondContact O-CD 3.37Å; V212-P215 VanDerWaalsContact O-CD 3.31Å; V212-P215 WeakPolarHBondContact O-CD 3.46Å; P215-Q218 PolarHBondContact O-N 3.12Å; P215-R219 PolarHBondContact O-N 3.3Å |
| 216 | L | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.8 | -39 | 175.9 | -72.6 | 175.6 | 0 | 0 | 0 | 112.3 | V194 V212 I213 A214 Q218 R219 L220 V231 L234 W238 L255 | V194-L216 HydrophobicContact CG1-CD2 4.44Å; V194-L216 HydrophobicContact CG2-CD2 4.23Å; V212-L216 HydrophobicContact CG1-CD1 3.62Å; V212-L216 HydrophobicContact CG1-CD2 4.46Å; V212-L216 HydrophobicContact CG1-CG 3.7Å; V212-L216 WeakPolarHBondContact O-CB 3.46Å; V212-L216 WeakPolarHBondContact O-CG 3.48Å; V212-L216 PolarHBondContact O-N 2.92Å; I213-L216 PolarHBondContact O-N 3.31Å; I213-L216 VanDerWaalsContact O-N 3.15Å; A214-L216 VanDerWaalsContact C-N 3.3Å; A214-L216 PolarHBondContact O-N 2.89Å; L216-Q218 PolarHBondContact O-N 2.82Å; L216-R219 WeakPolarHBondContact O-CA 3.45Å; L216-R219 WeakPolarHBondContact O-CB 3.5Å; L216-R219 PolarHBondContact O-N 2.98Å; L216-L220 PolarHBondContact O-N 3.44Å; L216-V231 HydrophobicContact CB-CG1 4.27Å; L216-V231 HydrophobicContact CD2-CG2 4.24Å; L216-L234 HydrophobicContact CD1-CD1 4Å; L216-L234 HydrophobicContact CD1-CD2 3.61Å; L216-L234 HydrophobicContact CD2-CD1 4.12Å; L216-W238 HydrophobicContact CD1-CH2 4.02Å; L216-W238 HydrophobicContact CD1-CZ3 4.01Å; L216-L255 HydrophobicContact CB-CD2 4.37Å |
| 217 | T | 96.3 | Very high | 95.6 | Very high | 49 Ų | 49 | 44.3 Ų | 44.3 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56 | -41.7 | 174.2 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | I213 A214 R219 L220 L255 | I213-T217 PolarHBondContact O-N 2.66Å; I213-T217 PolarHBondContact O-OG1 3.48Å; A214-T217 WeakPolarHBondContact O-CB 3.38Å; A214-T217 PolarHBondContact O-N 3.47Å; T217-R219 PolarHBondContact O-N 2.94Å; T217-L220 HydrophobicContact CG2-CD1 4.49Å; T217-L220 VanDerWaalsContact O-CB 3.3Å; T217-L220 WeakPolarHBondContact O-CB 3.43Å; T217-L220 PolarHBondContact O-N 3.5Å; T217-L220 VanDerWaalsContact O-N 3.09Å; T217-L255 WeakPolarHBondContact OG1-CD1 3.5Å |
| 218 | Q | 95.5 | Very high | 96 | Very high | 113 Ų | 113 | 40.6 Ų | 40.6 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65 | -21.9 | 175.5 | -63.6 | 179.6 | -8.4 | 0 | 0 | 113.7 | A214 P215 L216 | A214-Q218 PolarHBondContact O-N 2.77Å; P215-Q218 PolarHBondContact O-N 3.12Å; L216-Q218 PolarHBondContact O-N 2.82Å |
| 219 | R | 96.7 | Very high | 96.3 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 11% | 0.106 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -84.2 | -9.2 | 175.6 | -66.5 | -56 | 90.6 | 79.9 | 9.4 | 113.3 | L182 T183 P215 L216 T217 F221 D222 V227 V231 | L182-R219 HydrophobicContact CD2-CG 4.43Å; L182-R219 WeakPolarHBondContact O-CD 3.38Å; L182-R219 PolarHBondContact O-NH1 3.2Å; T183-R219 VanDerWaalsContact CG2-NH1 3.26Å; P215-R219 PolarHBondContact O-N 3.3Å; L216-R219 WeakPolarHBondContact O-CA 3.45Å; L216-R219 WeakPolarHBondContact O-CB 3.5Å; L216-R219 PolarHBondContact O-N 2.98Å; T217-R219 PolarHBondContact O-N 2.94Å; R219-F221 PolarHBondContact O-N 3.48Å; R219-D222 VanDerWaalsContact O-CB 3.27Å; R219-D222 WeakPolarHBondContact O-CB 3.48Å; R219-D222 PolarHBondContact O-N 2.9Å; R219-D222 VanDerWaalsContact O-N 3.14Å; R219-V227 HydrophobicContact CB-CG1 4.4Å; R219-V231 HydrophobicContact CB-CG2 3.66Å |
| 220 | L | 96.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.7 | 166.1 | -63 | 175.4 | 0 | 0 | 0 | 112.8 | L216 T217 R228 V231 I232 L255 | L216-L220 PolarHBondContact O-N 3.44Å; T217-L220 HydrophobicContact CG2-CD1 4.49Å; T217-L220 VanDerWaalsContact O-CB 3.3Å; T217-L220 WeakPolarHBondContact O-CB 3.43Å; T217-L220 PolarHBondContact O-N 3.5Å; T217-L220 VanDerWaalsContact O-N 3.09Å; L220-R228 WeakPolarHBondContact O-CD 3.37Å; L220-V231 HydrophobicContact CD2-CB 4.26Å; L220-V231 HydrophobicContact CD2-CG1 3.68Å; L220-V231 HydrophobicContact CG-CG1 4.27Å; L220-I232 HydrophobicContact CD2-CD1 3.85Å; L220-L255 HydrophobicContact CD1-CB 4.13Å; L220-L255 HydrophobicContact CD1-CG 3.93Å |
| 221 | F | 94.6 | Very high | 96.8 | Very high | 95 Ų | 95 | 41.3 Ų | 41.3 | 42% | 0.417 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 15.6 | 174.6 | -57.5 | -85.7 | 0 | 0 | 0 | 112.4 | R219 A340 K344 | R219-F221 PolarHBondContact O-N 3.48Å; F221-A340 HydrophobicContact CD1-CB 3.86Å; F221-A340 HydrophobicContact CE1-CB 3.69Å; F221-K344 HydrophobicContact CE1-CG 3.74Å; F221-K344 HydrophobicContact CZ-CG 3.92Å |
| 222 | D | 96.5 | Very high | 97 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | trans | -67.3 | 136.5 | -179.9 | -160.4 | -63.5 | 0 | 0 | 0 | 111.4 | R190 R219 S224 V227 R228 | R190-D222 IonicContact CZ-OD1 3.58Å; R190-D222 IonicContact CZ-OD2 2.68Å; R190-D222 IonicContact NE-OD1 3.8Å; R190-D222 IonicContact NE-OD2 2.63Å; R190-D222 PolarHBondContact NE-OD2 3.03Å; R190-D222 IonicContact NH2-OD1 2.77Å; R190-D222 PolarHBondContact NH2-OD1 3.22Å; R190-D222 IonicContact NH2-OD2 2.74Å; R190-D222 PolarHBondContact NH2-OD2 2.91Å; R219-D222 VanDerWaalsContact O-CB 3.27Å; R219-D222 WeakPolarHBondContact O-CB 3.48Å; R219-D222 PolarHBondContact O-N 2.9Å; R219-D222 VanDerWaalsContact O-N 3.14Å; D222-S224 PolarHBondContact O-N 3.41Å; D222-S224 WeakPolarHBondContact OD1-CB 3.38Å; D222-S224 PolarHBondContact OD1-N 3.25Å; D222-V227 HydrophobicContact CB-CB 4.13Å; D222-V227 HydrophobicContact CB-CG1 4.05Å; D222-R228 HydrophobicContact CB-CG 4.03Å; D222-R228 WeakPolarHBondContact O-CD 3.12Å; D222-R228 WeakPolarHBondContact O-CG 3.38Å; D222-R228 PolarHBondContact O-NH1 3.11Å | ||
| 223 | S | 95.5 | Very high | 97.2 | Very high | 109 Ų | 109 | 40.2 Ų | 40.2 | 76% | 0.762 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -52.4 | -34.1 | 172.2 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 224 | S | 97.3 | Very high | 97.3 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | trans | -88 | 115.4 | -178.3 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | D222 A226 V227 R228 | D222-S224 PolarHBondContact O-N 3.41Å; D222-S224 WeakPolarHBondContact OD1-CB 3.38Å; D222-S224 PolarHBondContact OD1-N 3.25Å; S224-A226 PolarHBondContact O-N 3.29Å; S224-V227 PolarHBondContact O-N 3.34Å; S224-R228 PolarHBondContact O-N 3.42Å | ||
| 225 | S | 97 | Very high | 97.4 | Very high | 59 Ų | 59 | 36.6 Ų | 36.6 | 41% | 0.413 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.3 | -34.4 | 174.8 | 56 | 0 | 0 | 0 | 0 | 112.6 | V227 R228 R229 I267 | S225-V227 VanDerWaalsContact C-N 3.33Å; S225-V227 PolarHBondContact O-N 3.31Å; S225-R228 PolarHBondContact O-N 2.97Å; S225-R229 VanDerWaalsContact O-CB 3.32Å; S225-R229 WeakPolarHBondContact O-CB 3.22Å; S225-R229 PolarHBondContact O-N 3.28Å; S225-I267 WeakPolarHBondContact O-CD1 3.37Å |
| 226 | A | 98.1 | Very high | 97.4 | Very high | 43 Ų | 43 | 35 Ų | 35 | 36% | 0.355 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L191 S224 A230 | L191-A226 HydrophobicContact CD2-CB 4.49Å; S224-A226 PolarHBondContact O-N 3.29Å; A226-A230 PolarHBondContact O-N 3.08Å |
| 227 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.9 | -45.9 | 176.4 | 179 | 0 | 0 | 0 | 0 | 110.2 | R190 L191 R219 D222 S224 S225 R229 A230 V231 | R190-V227 HydrophobicContact CB-CG1 4.31Å; R190-V227 HydrophobicContact CB-CG2 4.15Å; L191-V227 HydrophobicContact CB-CG2 4.22Å; R219-V227 HydrophobicContact CB-CG1 4.4Å; D222-V227 HydrophobicContact CB-CB 4.13Å; D222-V227 HydrophobicContact CB-CG1 4.05Å; S224-V227 PolarHBondContact O-N 3.34Å; S225-V227 VanDerWaalsContact C-N 3.33Å; S225-V227 PolarHBondContact O-N 3.31Å; V227-R229 VanDerWaalsContact C-N 3.32Å; V227-R229 PolarHBondContact O-N 3.05Å; V227-A230 PolarHBondContact O-N 3.44Å; V227-V231 WeakPolarHBondContact O-CG2 3.06Å; V227-V231 PolarHBondContact O-N 3Å |
| 228 | R | 98.1 | Very high | 97.5 | Very high | 33 Ų | 33 | 33.4 Ų | 33.4 | 13% | 0.125 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 176.6 | -60.4 | -160.3 | -56.2 | -87 | 4.6 | 111.8 | L220 D222 S224 S225 A230 V231 I232 D262 I267 | L220-R228 WeakPolarHBondContact O-CD 3.37Å; D222-R228 HydrophobicContact CB-CG 4.03Å; D222-R228 WeakPolarHBondContact O-CD 3.12Å; D222-R228 WeakPolarHBondContact O-CG 3.38Å; D222-R228 PolarHBondContact O-NH1 3.11Å; S224-R228 PolarHBondContact O-N 3.42Å; S225-R228 PolarHBondContact O-N 2.97Å; R228-A230 PolarHBondContact O-N 2.82Å; R228-V231 WeakPolarHBondContact O-CB 3.21Å; R228-V231 PolarHBondContact O-N 3.3Å; R228-V231 VanDerWaalsContact O-N 3.16Å; R228-I232 WeakPolarHBondContact O-CG1 3.14Å; R228-I232 PolarHBondContact O-N 3.5Å; R228-I232 VanDerWaalsContact O-N 3.12Å; R228-D262 IonicContact CZ-OD1 3.62Å; R228-D262 IonicContact CZ-OD2 2.64Å; R228-D262 IonicContact NE-OD1 3.99Å; R228-D262 PolarHBondContact NE-OD1 3.31Å; R228-D262 IonicContact NE-OD2 2.71Å; R228-D262 PolarHBondContact NE-OD2 3.22Å; R228-D262 IonicContact NH2-OD1 3.87Å; R228-D262 PolarHBondContact NH2-OD1 3.47Å; R228-D262 IonicContact NH2-OD2 2.65Å; R228-I267 HydrophobicContact CB-CD1 3.85Å |
| 229 | R | 98.6 | Very high | 97.6 | Very high | 86 Ų | 86 | 28.6 Ų | 28.6 | 33% | 0.325 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.7 | -47.9 | 174.9 | -178.5 | 175.1 | 170.1 | 170.5 | -3.7 | 111.7 | S225 V227 V231 I232 E233 E266 I267 | S225-R229 VanDerWaalsContact O-CB 3.32Å; S225-R229 WeakPolarHBondContact O-CB 3.22Å; S225-R229 PolarHBondContact O-N 3.28Å; V227-R229 VanDerWaalsContact C-N 3.32Å; V227-R229 PolarHBondContact O-N 3.05Å; R229-V231 VanDerWaalsContact C-N 3.26Å; R229-V231 PolarHBondContact O-N 2.93Å; R229-I232 WeakPolarHBondContact O-CB 3.48Å; R229-I232 PolarHBondContact O-N 3.37Å; R229-I232 VanDerWaalsContact O-N 3.09Å; R229-E233 HydrophobicContact CG-CG 4.43Å; R229-E233 IonicContact CZ-OE1 3.82Å; R229-E233 IonicContact NE-OE1 2.71Å; R229-E233 PolarHBondContact NE-OE1 3.28Å; R229-E233 IonicContact NH2-OE1 3.47Å; R229-E233 PolarHBondContact NH2-OE1 2.81Å; R229-E233 VanDerWaalsContact NH2-OE1 3.16Å; R229-E233 PolarHBondContact O-N 3.44Å; R229-E266 IonicContact NH1-OE2 3.62Å; R229-E266 PolarHBondContact NH1-OE2 3.13Å; R229-I267 HydrophobicContact CB-CD1 4.08Å; R229-I267 HydrophobicContact CB-CG1 3.88Å; R229-I267 HydrophobicContact CG-CG1 4.4Å |
| 230 | A | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -34 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L191 V194 V195 A226 V227 R228 E233 L234 | L191-A230 HydrophobicContact CD1-CB 3.46Å; L191-A230 VanDerWaalsContact CD1-CB 3.46Å; V194-A230 HydrophobicContact CB-CB 4.24Å; V194-A230 VanDerWaalsContact CG1-C 3.48Å; V194-A230 HydrophobicContact CG1-CB 3.72Å; V194-A230 WeakPolarHBondContact CG1-O 3.37Å; V195-A230 HydrophobicContact CG2-CB 4.34Å; A226-A230 PolarHBondContact O-N 3.08Å; V227-A230 PolarHBondContact O-N 3.44Å; R228-A230 PolarHBondContact O-N 2.82Å; A230-E233 PolarHBondContact O-N 3.12Å; A230-L234 WeakPolarHBondContact O-CB 3.45Å; A230-L234 PolarHBondContact O-N 3.35Å |
| 231 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 173.2 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | V194 L216 R219 L220 V227 R228 R229 L234 V235 | V194-V231 HydrophobicContact CG1-CG2 4.06Å; V194-V231 HydrophobicContact CG2-CG2 4.18Å; L216-V231 HydrophobicContact CB-CG1 4.27Å; L216-V231 HydrophobicContact CD2-CG2 4.24Å; R219-V231 HydrophobicContact CB-CG2 3.66Å; L220-V231 HydrophobicContact CD2-CB 4.26Å; L220-V231 HydrophobicContact CD2-CG1 3.68Å; L220-V231 HydrophobicContact CG-CG1 4.27Å; V227-V231 WeakPolarHBondContact O-CG2 3.06Å; V227-V231 PolarHBondContact O-N 3Å; R228-V231 WeakPolarHBondContact O-CB 3.21Å; R228-V231 PolarHBondContact O-N 3.3Å; R228-V231 VanDerWaalsContact O-N 3.16Å; R229-V231 VanDerWaalsContact C-N 3.26Å; R229-V231 PolarHBondContact O-N 2.93Å; V231-L234 PolarHBondContact O-N 3.27Å; V231-V235 HydrophobicContact CG1-CG2 4.37Å; V231-V235 WeakPolarHBondContact O-CB 3.32Å; V231-V235 VanDerWaalsContact O-CG2 3.25Å; V231-V235 WeakPolarHBondContact O-CG2 3.45Å; V231-V235 PolarHBondContact O-N 3.4Å |
| 232 | I | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 177.1 | -63.6 | -55.3 | 0 | 0 | 0 | 111.5 | L220 R228 R229 V235 G236 L255 L256 I267 V270 A271 L274 | L220-I232 HydrophobicContact CD2-CD1 3.85Å; R228-I232 WeakPolarHBondContact O-CG1 3.14Å; R228-I232 PolarHBondContact O-N 3.5Å; R228-I232 VanDerWaalsContact O-N 3.12Å; R229-I232 WeakPolarHBondContact O-CB 3.48Å; R229-I232 PolarHBondContact O-N 3.37Å; R229-I232 VanDerWaalsContact O-N 3.09Å; I232-V235 PolarHBondContact O-N 2.97Å; I232-G236 PolarHBondContact O-N 2.91Å; I232-L255 WeakPolarHBondContact CD1-O 3.26Å; I232-L256 HydrophobicContact CG2-CD1 4.1Å; I232-I267 HydrophobicContact CG1-CG2 3.87Å; I232-V270 HydrophobicContact CG2-CG1 4.36Å; I232-A271 HydrophobicContact CG2-CB 3.86Å; I232-L274 HydrophobicContact CG2-CD1 4.22Å |
| 233 | E | 98.7 | Very high | 97.3 | Very high | 65 Ų | 65 | 31.2 Ų | 31.2 | 30% | 0.304 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.5 | -72.1 | 174 | 167 | 0 | 0 | 111.5 | R229 A230 G236 S237 V270 L274 | R229-E233 HydrophobicContact CG-CG 4.43Å; R229-E233 IonicContact CZ-OE1 3.82Å; R229-E233 IonicContact NE-OE1 2.71Å; R229-E233 PolarHBondContact NE-OE1 3.28Å; R229-E233 IonicContact NH2-OE1 3.47Å; R229-E233 PolarHBondContact NH2-OE1 2.81Å; R229-E233 VanDerWaalsContact NH2-OE1 3.16Å; R229-E233 PolarHBondContact O-N 3.44Å; A230-E233 PolarHBondContact O-N 3.12Å; E233-G236 PolarHBondContact O-N 2.84Å; E233-S237 WeakPolarHBondContact O-CB 3.37Å; E233-S237 PolarHBondContact O-N 3.08Å; E233-V270 HydrophobicContact CG-CG1 3.73Å; E233-L274 HydrophobicContact CG-CD1 4.47Å |
| 234 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.9 | -53.1 | 174.3 | 175.9 | 164.8 | 0 | 0 | 0 | 111.5 | V194 L197 E198 L216 A230 V231 G236 S237 W238 | V194-L234 HydrophobicContact CG1-CB 4.27Å; V194-L234 HydrophobicContact CG1-CD1 3.86Å; V194-L234 WeakPolarHBondContact O-CD1 3.27Å; L197-L234 HydrophobicContact CB-CD1 3.99Å; E198-L234 HydrophobicContact CB-CB 4Å; E198-L234 HydrophobicContact CB-CD1 4.04Å; E198-L234 HydrophobicContact CB-CG 3.75Å; E198-L234 HydrophobicContact CG-CB 4.24Å; E198-L234 HydrophobicContact CG-CG 4.22Å; L216-L234 HydrophobicContact CD1-CD1 4Å; L216-L234 HydrophobicContact CD1-CD2 3.61Å; L216-L234 HydrophobicContact CD2-CD1 4.12Å; A230-L234 WeakPolarHBondContact O-CB 3.45Å; A230-L234 PolarHBondContact O-N 3.35Å; V231-L234 PolarHBondContact O-N 3.27Å; L234-G236 VanDerWaalsContact C-N 3.28Å; L234-G236 PolarHBondContact O-N 2.77Å; L234-S237 PolarHBondContact O-N 2.67Å; L234-W238 HydrophobicContact CD1-CH2 4.5Å; L234-W238 HydrophobicContact CD1-CZ2 4.21Å; L234-W238 HydrophobicContact CD2-CD2 3.58Å; L234-W238 HydrophobicContact CD2-CE3 3.6Å; L234-W238 HydrophobicContact CD2-CG 4.29Å; L234-W238 HydrophobicContact CD2-CH2 3.68Å; L234-W238 HydrophobicContact CD2-CZ2 3.64Å; L234-W238 HydrophobicContact CD2-CZ3 3.65Å; L234-W238 HydrophobicContact CG-CD2 4.44Å; L234-W238 HydrophobicContact CG-CZ2 4.08Å; L234-W238 PolarHBondContact O-N 3.04Å |
| 235 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | -178.1 | 173 | 0 | 0 | 0 | 0 | 110.4 | V231 I232 W238 L239 L252 L255 L256 | V231-V235 HydrophobicContact CG1-CG2 4.37Å; V231-V235 WeakPolarHBondContact O-CB 3.32Å; V231-V235 VanDerWaalsContact O-CG2 3.25Å; V231-V235 WeakPolarHBondContact O-CG2 3.45Å; V231-V235 PolarHBondContact O-N 3.4Å; I232-V235 PolarHBondContact O-N 2.97Å; V235-W238 PolarHBondContact O-N 2.93Å; V235-L239 HydrophobicContact CG1-CD1 3.98Å; V235-L239 HydrophobicContact CG1-CG 4.48Å; V235-L239 WeakPolarHBondContact O-CB 3.4Å; V235-L239 WeakPolarHBondContact O-CG 3.37Å; V235-L239 PolarHBondContact O-N 3.37Å; V235-L252 HydrophobicContact CG1-CB 4.1Å; V235-L252 HydrophobicContact CG1-CD2 4.4Å; V235-L252 WeakPolarHBondContact CG1-O 3.38Å; V235-L255 HydrophobicContact CG1-CB 4.21Å; V235-L255 HydrophobicContact CG2-CB 4.01Å; V235-L255 HydrophobicContact CG2-CD2 4.03Å; V235-L256 HydrophobicContact CG1-CB 3.95Å |
| 236 | G | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I232 E233 L234 W238 L239 L240 | I232-G236 PolarHBondContact O-N 2.91Å; E233-G236 PolarHBondContact O-N 2.84Å; L234-G236 VanDerWaalsContact C-N 3.28Å; L234-G236 PolarHBondContact O-N 2.77Å; G236-W238 VanDerWaalsContact C-N 3.32Å; G236-W238 PolarHBondContact O-N 2.95Å; G236-L239 PolarHBondContact O-N 2.79Å; G236-L240 WeakPolarHBondContact O-CG 3.5Å; G236-L240 PolarHBondContact O-N 3.03Å |
| 237 | S | 97.6 | Very high | 96.3 | Very high | 15 Ų | 15 | 34 Ų | 34 | 11% | 0.105 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 174.1 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | E198 E233 L234 L240 D241 | E198-S237 WeakPolarHBondContact OE1-CB 3.37Å; E198-S237 PolarHBondContact OE1-OG 3.34Å; E233-S237 WeakPolarHBondContact O-CB 3.37Å; E233-S237 PolarHBondContact O-N 3.08Å; L234-S237 PolarHBondContact O-N 2.67Å; S237-L240 PolarHBondContact O-N 3.33Å; S237-D241 PolarHBondContact O-N 3.23Å |
| 238 | W | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.3 | -41.7 | 177.7 | -71.3 | -1.7 | 0 | 0 | 0 | 113.1 | E198 L201 V209 V212 L216 L234 V235 G236 L240 D241 L242 L252 | E198-W238 PolarHBondContact O-NE1 3.49Å; L201-W238 HydrophobicContact CB-CZ2 3.77Å; L201-W238 HydrophobicContact CD1-CH2 3.57Å; L201-W238 HydrophobicContact CD1-CZ2 3.55Å; L201-W238 HydrophobicContact CG-CZ2 4.21Å; V209-W238 HydrophobicContact CG1-CE3 3.92Å; V209-W238 HydrophobicContact CG1-CH2 4.46Å; V209-W238 HydrophobicContact CG1-CZ3 3.72Å; V212-W238 HydrophobicContact CB-CH2 4.4Å; V212-W238 HydrophobicContact CG1-CH2 4.15Å; L216-W238 HydrophobicContact CD1-CH2 4.02Å; L216-W238 HydrophobicContact CD1-CZ3 4.01Å; L234-W238 HydrophobicContact CD1-CH2 4.5Å; L234-W238 HydrophobicContact CD1-CZ2 4.21Å; L234-W238 HydrophobicContact CD2-CD2 3.58Å; L234-W238 HydrophobicContact CD2-CE3 3.6Å; L234-W238 HydrophobicContact CD2-CG 4.29Å; L234-W238 HydrophobicContact CD2-CH2 3.68Å; L234-W238 HydrophobicContact CD2-CZ2 3.64Å; L234-W238 HydrophobicContact CD2-CZ3 3.65Å; L234-W238 HydrophobicContact CG-CD2 4.44Å; L234-W238 HydrophobicContact CG-CZ2 4.08Å; L234-W238 PolarHBondContact O-N 3.04Å; V235-W238 PolarHBondContact O-N 2.93Å; G236-W238 VanDerWaalsContact C-N 3.32Å; G236-W238 PolarHBondContact O-N 2.95Å; W238-L240 PolarHBondContact O-N 3.35Å; W238-D241 PolarHBondContact O-N 3.34Å; W238-L242 HydrophobicContact CB-CB 3.97Å; W238-L242 HydrophobicContact CB-CD2 4.33Å; W238-L242 HydrophobicContact CG-CB 4.34Å; W238-L242 HydrophobicContact CG-CD1 4.46Å; W238-L242 HydrophobicContact CG-CD2 4.49Å; W238-L242 WeakPolarHBondContact O-CB 3.1Å; W238-L242 PolarHBondContact O-N 2.7Å; W238-L252 HydrophobicContact CB-CD1 4.19Å; W238-L252 HydrophobicContact CE3-CD1 4.4Å; W238-L252 HydrophobicContact CE3-CD2 3.96Å; W238-L252 HydrophobicContact CZ3-CD2 4.39Å |
| 239 | L | 97.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.6 | -18.6 | 174.2 | -75.4 | 170.8 | 0 | 0 | 0 | 113 | V235 G236 R245 Q249 L252 L256 I278 | V235-L239 HydrophobicContact CG1-CD1 3.98Å; V235-L239 HydrophobicContact CG1-CG 4.48Å; V235-L239 WeakPolarHBondContact O-CB 3.4Å; V235-L239 WeakPolarHBondContact O-CG 3.37Å; V235-L239 PolarHBondContact O-N 3.37Å; G236-L239 PolarHBondContact O-N 2.79Å; L239-R245 WeakPolarHBondContact O-CD 3.15Å; L239-Q249 HydrophobicContact CD2-CG 4.41Å; L239-L252 HydrophobicContact CD1-CB 4.3Å; L239-L252 HydrophobicContact CD2-CB 3.88Å; L239-L252 HydrophobicContact CD2-CD1 4.23Å; L239-L252 HydrophobicContact CG-CB 4.06Å; L239-L252 HydrophobicContact CG-CD1 4.36Å; L239-L256 HydrophobicContact CD1-CB 4.03Å; L239-L256 HydrophobicContact CD1-CD2 3.74Å; L239-L256 HydrophobicContact CD1-CG 4.46Å; L239-I278 HydrophobicContact CB-CD1 3.58Å; L239-I278 HydrophobicContact CB-CG1 3.97Å; L239-I278 HydrophobicContact CB-CG2 4.23Å; L239-I278 HydrophobicContact CD1-CD1 4.04Å; L239-I278 HydrophobicContact CG-CD1 4.48Å |
| 240 | L | 97.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 31.9 Ų | 31.9 | 15% | 0.147 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -85.8 | -59.4 | 169.3 | -72.3 | 166 | 0 | 0 | 0 | 111 | G236 S237 W238 R245 L274 H277 I278 K281 | G236-L240 WeakPolarHBondContact O-CG 3.5Å; G236-L240 PolarHBondContact O-N 3.03Å; S237-L240 PolarHBondContact O-N 3.33Å; W238-L240 PolarHBondContact O-N 3.35Å; L240-R245 WeakPolarHBondContact O-CD 3.28Å; L240-R245 PolarHBondContact O-NE 3.47Å; L240-L274 HydrophobicContact CD1-CD2 4.37Å; L240-H277 HydrophobicContact CD2-CB 4.22Å; L240-I278 HydrophobicContact CD1-CG1 4.49Å; L240-I278 HydrophobicContact CD2-CB 4.39Å; L240-I278 HydrophobicContact CD2-CG1 3.74Å; L240-I278 HydrophobicContact CG-CG1 3.69Å; L240-K281 HydrophobicContact CB-CD 4.5Å; L240-K281 HydrophobicContact CD2-CB 4.2Å; L240-K281 HydrophobicContact CD2-CD 3.96Å; L240-K281 WeakPolarHBondContact O-CD 3.34Å; L240-K281 WeakPolarHBondContact O-CE 3.39Å; L240-K281 PolarHBondContact O-NZ 3.02Å |
| 241 | D | 94.9 | Very high | 95.3 | Very high | 90 Ų | 90 | 36.1 Ų | 36.1 | 48% | 0.481 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -121 | -4.2 | -155.3 | -60 | -42 | 0 | 0 | 0 | 115 | L202 S237 W238 K281 | L202-D241 HydrophobicContact CD2-CB 4.44Å; S237-D241 PolarHBondContact O-N 3.23Å; W238-D241 PolarHBondContact O-N 3.34Å; D241-K281 IonicContact OD1-NZ 3.28Å; D241-K281 PolarHBondContact OD1-NZ 3.09Å |
| 242 | L | 94.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | -64 | 133.3 | 178.1 | -175.5 | 76.7 | 0 | 0 | 0 | 110.7 | L202 V209 W238 D244 R245 Y248 | L202-L242 HydrophobicContact CD2-CB 4.23Å; L202-L242 HydrophobicContact CD2-CD1 4.18Å; V209-L242 HydrophobicContact CG1-CD2 4.18Å; V209-L242 HydrophobicContact CG2-CD1 4.02Å; V209-L242 HydrophobicContact CG2-CD2 3.87Å; W238-L242 HydrophobicContact CB-CB 3.97Å; W238-L242 HydrophobicContact CB-CD2 4.33Å; W238-L242 HydrophobicContact CG-CB 4.34Å; W238-L242 HydrophobicContact CG-CD1 4.46Å; W238-L242 HydrophobicContact CG-CD2 4.49Å; W238-L242 WeakPolarHBondContact O-CB 3.1Å; W238-L242 PolarHBondContact O-N 2.7Å; L242-D244 PolarHBondContact O-N 3.21Å; L242-R245 HydrophobicContact CB-CB 4.07Å; L242-R245 WeakPolarHBondContact O-CB 3.49Å; L242-R245 PolarHBondContact O-N 3.42Å; L242-Y248 HydrophobicContact CD2-CD2 4.12Å | ||
| 243 | P | 90.2 | Very high | 95.1 | Very high | 82 Ų | 82 | 36.1 Ų | 36.1 | 53% | 0.532 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134 | 169.7 | -23.2 | 34.5 | 0 | 0 | 0 | 110.7 | R245 | P243-R245 PolarHBondContact O-N 3.13Š|
| 244 | D | 90.3 | Very high | 95 | Very high | 103 Ų | 103 | 34.5 Ų | 34.5 | 55% | 0.551 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 29.9 | -177.1 | -165.4 | 41.3 | 0 | 0 | 0 | 114.5 | L242 Y246 S247 | L242-D244 PolarHBondContact O-N 3.21Å; D244-Y246 PolarHBondContact O-N 2.91Å; D244-S247 WeakPolarHBondContact O-CB 3.33Å; D244-S247 PolarHBondContact O-N 3.22Å; D244-S247 VanDerWaalsContact O-N 3.08Å; D244-S247 PolarHBondContact OD1-OG 3.01Å; D244-S247 VanDerWaalsContact OD2-CB 3.31Å; D244-S247 WeakPolarHBondContact OD2-CB 2.97Å; D244-S247 PolarHBondContact OD2-OG 3.18Å |
| 245 | R | 93.3 | Very high | 94.9 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -50.9 | -29.3 | -179.8 | 59.5 | -176.3 | 173.5 | -72.7 | -13.6 | 115.2 | L239 L240 L242 P243 S247 Y248 Q249 E285 | L239-R245 WeakPolarHBondContact O-CD 3.15Å; L240-R245 WeakPolarHBondContact O-CD 3.28Å; L240-R245 PolarHBondContact O-NE 3.47Å; L242-R245 HydrophobicContact CB-CB 4.07Å; L242-R245 WeakPolarHBondContact O-CB 3.49Å; L242-R245 PolarHBondContact O-N 3.42Å; P243-R245 PolarHBondContact O-N 3.13Å; R245-S247 VanDerWaalsContact C-N 3.25Å; R245-S247 PolarHBondContact O-N 3.33Å; R245-Y248 PolarHBondContact O-N 3.02Å; R245-Y248 VanDerWaalsContact O-N 3.08Å; R245-Q249 PolarHBondContact O-N 2.78Å; R245-E285 IonicContact CZ-OE1 2.74Å; R245-E285 IonicContact CZ-OE2 3.54Å; R245-E285 IonicContact NE-OE2 3.56Å; R245-E285 IonicContact NH2-OE1 3.77Å; R245-E285 PolarHBondContact NH2-OE1 3.1Å; R245-E285 IonicContact NH2-OE2 3.7Å; R245-E285 PolarHBondContact NH2-OE2 3.41Å |
| 246 | Y | 92.3 | Very high | 94.9 | Very high | 82 Ų | 82 | 34.9 Ų | 34.9 | 32% | 0.322 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -64.3 | -29.2 | -179.1 | -66.2 | -55.9 | 0 | 0 | 0 | 113 | D244 Y248 Q249 F282 E285 N286 | D244-Y246 PolarHBondContact O-N 2.91Å; Y246-Y248 PolarHBondContact O-N 2.72Å; Y246-Q249 VanDerWaalsContact CD1-OE1 3.29Å; Y246-Q249 PolarHBondContact O-N 2.59Å; Y246-F282 AromaticContact CE1-CD2 3.61Å; Y246-F282 HydrophobicContact CE1-CD2 3.61Å; Y246-F282 AromaticContact CE1-CE2 3.77Å; Y246-F282 HydrophobicContact CE1-CE2 3.77Å; Y246-F282 AromaticContact CZ-CD2 3.93Å; Y246-F282 WeakPolarHBondContact OH-CD2 3.44Å; Y246-E285 PolarHBondContact OH-OE2 3.34Å; Y246-N286 PolarHBondContact OH-ND2 3.42Å |
| 247 | S | 92.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 35 Ų | 35 | 52% | 0.517 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -63 | -27.1 | 173.9 | -66.7 | 0 | 0 | 0 | 0 | 113 | D244 R245 | D244-S247 WeakPolarHBondContact O-CB 3.33Å; D244-S247 PolarHBondContact O-N 3.22Å; D244-S247 VanDerWaalsContact O-N 3.08Å; D244-S247 PolarHBondContact OD1-OG 3.01Å; D244-S247 VanDerWaalsContact OD2-CB 3.31Å; D244-S247 WeakPolarHBondContact OD2-CB 2.97Å; D244-S247 PolarHBondContact OD2-OG 3.18Å; R245-S247 VanDerWaalsContact C-N 3.25Å; R245-S247 PolarHBondContact O-N 3.33Å |
| 248 | Y | 93.2 | Very high | 94.7 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 13% | 0.125 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -5.8 | -177.8 | -54.1 | -78.6 | 0 | 0 | 0 | 113.5 | G206 K207 V209 E210 L242 R245 Y246 T250 K251 L252 | G206-Y248 VanDerWaalsContact C-OH 3.23Å; G206-Y248 PolarHBondContact O-OH 2.75Å; G206-Y248 VanDerWaalsContact O-OH 3.05Å; K207-Y248 PolarHBondContact N-OH 3.2Å; V209-Y248 HydrophobicContact CB-CD1 4.46Å; V209-Y248 HydrophobicContact CB-CE1 4.37Å; V209-Y248 HydrophobicContact CG1-CD1 4.14Å; V209-Y248 HydrophobicContact CG1-CD2 4.47Å; V209-Y248 HydrophobicContact CG1-CG 4.11Å; E210-Y248 HydrophobicContact CB-CE1 4.37Å; L242-Y248 HydrophobicContact CD2-CD2 4.12Å; R245-Y248 PolarHBondContact O-N 3.02Å; R245-Y248 VanDerWaalsContact O-N 3.08Å; Y246-Y248 PolarHBondContact O-N 2.72Å; Y248-T250 VanDerWaalsContact C-N 3.35Å; Y248-T250 PolarHBondContact O-N 2.88Å; Y248-K251 PolarHBondContact O-N 3.49Å; Y248-L252 PolarHBondContact O-N 2.78Å |
| 249 | Q | 92.7 | Very high | 94.6 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 7% | 0.065 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -50.6 | -49.7 | -172.3 | 179.4 | -169.6 | -45.2 | 0 | 0 | 113 | L239 R245 Y246 K251 L252 L253 L318 S322 | L239-Q249 HydrophobicContact CD2-CG 4.41Å; R245-Q249 PolarHBondContact O-N 2.78Å; Y246-Q249 VanDerWaalsContact CD1-OE1 3.29Å; Y246-Q249 PolarHBondContact O-N 2.59Å; Q249-K251 PolarHBondContact O-N 3.22Å; Q249-L252 PolarHBondContact O-N 2.92Å; Q249-L253 VanDerWaalsContact O-CB 3.27Å; Q249-L253 WeakPolarHBondContact O-CB 3.36Å; Q249-L253 PolarHBondContact O-N 3.39Å; Q249-L318 HydrophobicContact CG-CD2 4.21Å; Q249-L318 PolarHBondContact NE2-O 3.42Å; Q249-L318 VanDerWaalsContact NE2-O 3.09Å; Q249-S322 PolarHBondContact NE2-OG 3.01Å |
| 250 | T | 92.6 | Very high | 94.5 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -28.2 | -177.8 | -45.5 | 0 | 0 | 0 | 0 | 112.4 | Y248 P254 K325 L326 | Y248-T250 VanDerWaalsContact C-N 3.35Å; Y248-T250 PolarHBondContact O-N 2.88Å; T250-P254 VanDerWaalsContact O-CD 3.26Å; T250-P254 WeakPolarHBondContact O-CD 3.44Å; T250-K325 HydrophobicContact CG2-CB 3.59Å; T250-K325 HydrophobicContact CG2-CD 3.66Å; T250-K325 HydrophobicContact CG2-CG 4.22Å; T250-L326 HydrophobicContact CG2-CD2 4.17Å; T250-L326 HydrophobicContact CG2-CG 4.49Å; T250-L326 WeakPolarHBondContact O-CD2 3.25Å |
| 251 | K | 94.2 | Very high | 94.3 | Very high | 94 Ų | 94 | 33.6 Ų | 33.6 | 41% | 0.409 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -86.8 | -32 | 179.2 | -61.2 | -178.3 | -175.1 | 176.1 | 0 | 112.6 | E210 I213 Y248 Q249 L255 | E210-K251 IonicContact OE1-NZ 3.67Å; E210-K251 PolarHBondContact OE1-NZ 2.91Å; E210-K251 WeakPolarHBondContact OE2-CD 3.32Å; E210-K251 IonicContact OE2-NZ 3.72Å; E210-K251 PolarHBondContact OE2-NZ 3.31Å; I213-K251 HydrophobicContact CD1-CB 3.78Å; I213-K251 HydrophobicContact CD1-CD 4.1Å; I213-K251 HydrophobicContact CG2-CB 4.43Å; Y248-K251 PolarHBondContact O-N 3.49Å; Q249-K251 PolarHBondContact O-N 3.22Å; K251-L255 WeakPolarHBondContact O-CD1 3.21Å |
| 252 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -80.9 | -32.1 | 179.6 | -68 | 178 | 0 | 0 | 0 | 112.8 | I213 V235 W238 L239 Y248 Q249 L255 L256 | I213-L252 HydrophobicContact CD1-CD2 4.19Å; I213-L252 HydrophobicContact CG1-CD2 4Å; V235-L252 HydrophobicContact CG1-CB 4.1Å; V235-L252 HydrophobicContact CG1-CD2 4.4Å; V235-L252 WeakPolarHBondContact CG1-O 3.38Å; W238-L252 HydrophobicContact CB-CD1 4.19Å; W238-L252 HydrophobicContact CE3-CD1 4.4Å; W238-L252 HydrophobicContact CE3-CD2 3.96Å; W238-L252 HydrophobicContact CZ3-CD2 4.39Å; L239-L252 HydrophobicContact CD1-CB 4.3Å; L239-L252 HydrophobicContact CD2-CB 3.88Å; L239-L252 HydrophobicContact CD2-CD1 4.23Å; L239-L252 HydrophobicContact CG-CB 4.06Å; L239-L252 HydrophobicContact CG-CD1 4.36Å; Y248-L252 PolarHBondContact O-N 2.78Å; Q249-L252 PolarHBondContact O-N 2.92Å; L252-L255 WeakPolarHBondContact O-CB 3.34Å; L252-L255 PolarHBondContact O-N 3.44Å; L252-L255 VanDerWaalsContact O-N 3.1Å; L252-L256 PolarHBondContact O-N 2.98Å |
| 253 | L | 96.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.4 | -46 | -175.4 | -179.1 | 60.6 | 0 | 0 | 0 | 113.7 | Q249 L255 L256 L257 W275 V319 L326 | Q249-L253 VanDerWaalsContact O-CB 3.27Å; Q249-L253 WeakPolarHBondContact O-CB 3.36Å; Q249-L253 PolarHBondContact O-N 3.39Å; L253-L255 PolarHBondContact O-N 2.83Å; L253-L256 PolarHBondContact O-N 2.69Å; L253-L257 HydrophobicContact CD1-CD1 3.91Å; L253-L257 HydrophobicContact CD1-CD2 4.44Å; L253-L257 HydrophobicContact CD1-CG 3.92Å; L253-L257 HydrophobicContact CG-CD1 3.9Å; L253-L257 HydrophobicContact CG-CG 4.31Å; L253-L257 WeakPolarHBondContact O-CG 3.48Å; L253-L257 PolarHBondContact O-N 2.75Å; L253-W275 HydrophobicContact CD1-CE3 4.21Å; L253-W275 HydrophobicContact CD1-CH2 3.2Å; L253-W275 HydrophobicContact CD1-CZ2 3.9Å; L253-W275 HydrophobicContact CD1-CZ3 3.38Å; L253-W275 HydrophobicContact CD2-CH2 4.48Å; L253-W275 HydrophobicContact CG-CH2 4.47Å; L253-V319 HydrophobicContact CD2-CG2 4.04Å; L253-L326 HydrophobicContact CD2-CD1 4.19Å |
| 254 | P | 95.5 | Very high | 94.2 | Very high | 31 Ų | 31 | 32.3 Ų | 32.3 | 20% | 0.201 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.1 | -32.5 | 176.7 | -25.4 | 37.2 | 0 | 0 | 0 | 113.5 | T250 S258 L326 | T250-P254 VanDerWaalsContact O-CD 3.26Å; T250-P254 WeakPolarHBondContact O-CD 3.44Å; P254-S258 WeakPolarHBondContact O-CB 3.24Å; P254-S258 PolarHBondContact O-N 2.95Å; P254-S258 PolarHBondContact O-OG 3.34Å; P254-L326 HydrophobicContact CG-CD1 4.38Å; P254-L326 HydrophobicContact CG-CD2 3.31Å; P254-L326 HydrophobicContact CG-CG 4.46Å |
| 255 | L | 97.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.9 | -43.9 | 178.9 | -77.8 | 56.6 | 0 | 0 | 0 | 110.4 | I213 L216 T217 L220 I232 V235 K251 L252 L253 S258 | I213-L255 HydrophobicContact CG2-CD2 4.27Å; L216-L255 HydrophobicContact CB-CD2 4.37Å; T217-L255 WeakPolarHBondContact OG1-CD1 3.5Å; L220-L255 HydrophobicContact CD1-CB 4.13Å; L220-L255 HydrophobicContact CD1-CG 3.93Å; I232-L255 WeakPolarHBondContact CD1-O 3.26Å; V235-L255 HydrophobicContact CG1-CB 4.21Å; V235-L255 HydrophobicContact CG2-CB 4.01Å; V235-L255 HydrophobicContact CG2-CD2 4.03Å; K251-L255 WeakPolarHBondContact O-CD1 3.21Å; L252-L255 WeakPolarHBondContact O-CB 3.34Å; L252-L255 PolarHBondContact O-N 3.44Å; L252-L255 VanDerWaalsContact O-N 3.1Å; L253-L255 PolarHBondContact O-N 2.83Å; L255-S258 WeakPolarHBondContact O-CB 3.34Å; L255-S258 PolarHBondContact O-N 2.88Å |
| 256 | L | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -47 | 175.7 | -177 | 70.9 | 0 | 0 | 0 | 111.5 | I232 V235 L239 L252 L253 S258 G259 L274 W275 I278 | I232-L256 HydrophobicContact CG2-CD1 4.1Å; V235-L256 HydrophobicContact CG1-CB 3.95Å; L239-L256 HydrophobicContact CD1-CB 4.03Å; L239-L256 HydrophobicContact CD1-CD2 3.74Å; L239-L256 HydrophobicContact CD1-CG 4.46Å; L252-L256 PolarHBondContact O-N 2.98Å; L253-L256 PolarHBondContact O-N 2.69Å; L256-S258 PolarHBondContact O-N 3.21Å; L256-G259 PolarHBondContact O-N 3.15Å; L256-L274 HydrophobicContact CD1-CB 4.27Å; L256-L274 HydrophobicContact CD1-CD1 4.48Å; L256-W275 HydrophobicContact CD2-CB 4.19Å; L256-W275 HydrophobicContact CD2-CD2 4.17Å; L256-W275 HydrophobicContact CD2-CE3 3.44Å; L256-W275 VanDerWaalsContact CD2-CE3 3.44Å; L256-W275 HydrophobicContact CD2-CZ3 4.19Å; L256-I278 HydrophobicContact CD2-CD1 3.44Å; L256-I278 VanDerWaalsContact CD2-CD1 3.44Å |
| 257 | L | 96.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.1 | -25.7 | -179.3 | -66.3 | 179.8 | 0 | 0 | 0 | 112.3 | L253 G259 F260 W275 L348 L352 | L253-L257 HydrophobicContact CD1-CD1 3.91Å; L253-L257 HydrophobicContact CD1-CD2 4.44Å; L253-L257 HydrophobicContact CD1-CG 3.92Å; L253-L257 HydrophobicContact CG-CD1 3.9Å; L253-L257 HydrophobicContact CG-CG 4.31Å; L253-L257 WeakPolarHBondContact O-CG 3.48Å; L253-L257 PolarHBondContact O-N 2.75Å; L257-G259 PolarHBondContact O-N 3.19Å; L257-G259 VanDerWaalsContact O-N 3.16Å; L257-F260 HydrophobicContact CD2-CD2 4.22Å; L257-F260 HydrophobicContact CD2-CE2 4.08Å; L257-F260 HydrophobicContact CD2-CZ 4.44Å; L257-F260 VanDerWaalsContact O-CB 3.29Å; L257-F260 WeakPolarHBondContact O-CB 3.28Å; L257-F260 PolarHBondContact O-N 3.09Å; L257-W275 HydrophobicContact CD2-CD2 4.47Å; L257-L348 HydrophobicContact CB-CD2 3.81Å; L257-L352 HydrophobicContact CD1-CD2 3.58Å |
| 258 | S | 95.2 | Very high | 94.8 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -59.8 | -23.4 | 170.8 | -65 | 0 | 0 | 0 | 0 | 112.8 | P254 L255 L256 F260 I261 D262 | P254-S258 WeakPolarHBondContact O-CB 3.24Å; P254-S258 PolarHBondContact O-N 2.95Å; P254-S258 PolarHBondContact O-OG 3.34Å; L255-S258 WeakPolarHBondContact O-CB 3.34Å; L255-S258 PolarHBondContact O-N 2.88Å; L256-S258 PolarHBondContact O-N 3.21Å; S258-F260 VanDerWaalsContact C-N 3.3Å; S258-I261 CarbonylContact O-C 3.57Å; S258-I261 VanDerWaalsContact O-CG1 3.26Å; S258-I261 WeakPolarHBondContact O-CG1 3.39Å; S258-I261 PolarHBondContact O-N 3.25Å; S258-D262 PolarHBondContact O-N 3.23Å |
| 259 | G | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -69.4 | -22.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L256 L257 I261 D262 R268 | L256-G259 PolarHBondContact O-N 3.15Å; L257-G259 PolarHBondContact O-N 3.19Å; L257-G259 VanDerWaalsContact O-N 3.16Å; G259-I261 PolarHBondContact O-N 3.48Å; G259-D262 PolarHBondContact O-N 3.2Å; G259-R268 VanDerWaalsContact O-CA 3.32Å; G259-R268 WeakPolarHBondContact O-CA 3.31Å; G259-R268 WeakPolarHBondContact O-CG 3.32Å |
| 260 | F | 94.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -69.4 | -23.4 | 175 | -76.8 | -127 | 0 | 0 | 0 | 111.8 | L257 S258 R268 A271 W275 I351 I418 | L257-F260 HydrophobicContact CD2-CD2 4.22Å; L257-F260 HydrophobicContact CD2-CE2 4.08Å; L257-F260 HydrophobicContact CD2-CZ 4.44Å; L257-F260 VanDerWaalsContact O-CB 3.29Å; L257-F260 WeakPolarHBondContact O-CB 3.28Å; L257-F260 PolarHBondContact O-N 3.09Å; S258-F260 VanDerWaalsContact C-N 3.3Å; F260-R268 WeakPolarHBondContact O-CD 3.32Å; F260-A271 HydrophobicContact CD2-CB 3.84Å; F260-A271 HydrophobicContact CE2-CB 3.98Å; F260-W275 HydrophobicContact CE2-CB 3.93Å; F260-W275 HydrophobicContact CE2-CG 4.21Å; F260-W275 HydrophobicContact CZ-CB 3.79Å; F260-W275 AromaticContact CZ-CD1 3.51Å; F260-W275 AromaticContact CZ-CG 3.87Å; F260-W275 HydrophobicContact CZ-CG 3.87Å; F260-I351 HydrophobicContact CB-CD1 3.86Å; F260-I418 HydrophobicContact CD1-CD1 3.56Å; F260-I418 HydrophobicContact CD1-CG1 4.15Å; F260-I418 HydrophobicContact CE1-CD1 3.83Å; F260-I418 WeakPolarHBondContact O-CG2 3.42Å |
| 261 | I | 93.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -116.5 | 28.2 | -176.7 | 62.7 | 168 | 0 | 0 | 0 | 111 | S258 G259 K344 L348 I351 V421 | S258-I261 CarbonylContact O-C 3.57Å; S258-I261 VanDerWaalsContact O-CG1 3.26Å; S258-I261 WeakPolarHBondContact O-CG1 3.39Å; S258-I261 PolarHBondContact O-N 3.25Å; G259-I261 PolarHBondContact O-N 3.48Å; I261-K344 HydrophobicContact CD1-CB 4.49Å; I261-K344 HydrophobicContact CD1-CD 3.58Å; I261-K344 HydrophobicContact CG1-CD 4.1Å; I261-K344 PolarHBondContact O-NZ 3.05Å; I261-K344 VanDerWaalsContact O-NZ 3.13Å; I261-L348 HydrophobicContact CD1-CD2 4.02Å; I261-L348 HydrophobicContact CD1-CG 3.81Å; I261-L348 HydrophobicContact CG1-CD2 4.46Å; I261-I351 HydrophobicContact CG2-CD1 3.4Å; I261-I351 VanDerWaalsContact CG2-CD1 3.4Å; I261-V421 HydrophobicContact CG2-CG1 3.52Å |
| 262 | D | 94.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | trans | -81.5 | 144.8 | 170.8 | -159.5 | -78.8 | 0 | 0 | 0 | 110.6 | R228 S258 G259 S264 I267 R268 | R228-D262 IonicContact CZ-OD1 3.62Å; R228-D262 IonicContact CZ-OD2 2.64Å; R228-D262 IonicContact NE-OD1 3.99Å; R228-D262 PolarHBondContact NE-OD1 3.31Å; R228-D262 IonicContact NE-OD2 2.71Å; R228-D262 PolarHBondContact NE-OD2 3.22Å; R228-D262 IonicContact NH2-OD1 3.87Å; R228-D262 PolarHBondContact NH2-OD1 3.47Å; R228-D262 IonicContact NH2-OD2 2.65Å; S258-D262 PolarHBondContact O-N 3.23Å; G259-D262 PolarHBondContact O-N 3.2Å; D262-S264 PolarHBondContact O-N 3.25Å; D262-S264 WeakPolarHBondContact OD1-CB 3.2Å; D262-S264 PolarHBondContact OD1-N 3.14Å; D262-I267 HydrophobicContact CB-CB 3.96Å; D262-I267 HydrophobicContact CB-CG2 3.7Å; D262-R268 VanDerWaalsContact O-CD 3.31Å; D262-R268 WeakPolarHBondContact O-CD 3.43Å; D262-R268 WeakPolarHBondContact O-CG 3.44Å; D262-R268 PolarHBondContact O-NH1 3.26Å | ||
| 263 | E | 90.1 | Very high | 95.5 | Very high | 109 Ų | 109 | 39.9 Ų | 39.9 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -57.4 | -31.5 | 174.6 | -56 | -62.3 | 137.8 | 0 | 0 | 112.1 | R268 T426 | E263-R268 PolarHBondContact O-NH1 3.31Å; E263-T426 WeakPolarHBondContact OE2-CG2 3.34Å |
| 264 | S | 92.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | trans | -86.7 | 119.3 | -178.4 | -176.9 | 0 | 0 | 0 | 0 | 112.4 | D262 E266 I267 R268 | D262-S264 PolarHBondContact O-N 3.25Å; D262-S264 WeakPolarHBondContact OD1-CB 3.2Å; D262-S264 PolarHBondContact OD1-N 3.14Å; S264-E266 VanDerWaalsContact C-N 3.27Å; S264-E266 PolarHBondContact O-N 3.07Å; S264-I267 WeakPolarHBondContact O-CB 3.49Å; S264-I267 PolarHBondContact O-N 3.5Å; S264-R268 PolarHBondContact O-N 2.72Å | ||
| 265 | D | 91.8 | Very high | 95.7 | Very high | 102 Ų | 102 | 40.4 Ų | 40.4 | 55% | 0.545 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54.2 | -41.3 | 176.9 | -65.8 | 17.7 | 0 | 0 | 0 | 112.7 | I267 R268 M269 | D265-I267 VanDerWaalsContact C-N 3.3Å; D265-I267 PolarHBondContact O-N 3.08Å; D265-R268 PolarHBondContact O-N 2.89Å; D265-R268 IonicContact OD1-CZ 3.94Å; D265-R268 IonicContact OD1-NH1 3.57Å; D265-R268 PolarHBondContact OD1-NH1 3.08Å; D265-R268 IonicContact OD1-NH2 3.18Å; D265-R268 PolarHBondContact OD1-NH2 3.02Å; D265-R268 IonicContact OD2-NH2 2.67Å; D265-M269 WeakPolarHBondContact O-CG 3.42Å; D265-M269 PolarHBondContact O-N 3.24Å |
| 266 | E | 95.4 | Very high | 95.7 | Very high | 118 Ų | 118 | 43.4 Ų | 43.4 | 55% | 0.551 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -57.9 | -40.8 | 176.4 | -65.2 | -169.1 | -179.2 | 0 | 0 | 112.7 | R229 S264 M269 V270 | R229-E266 IonicContact NH1-OE2 3.62Å; R229-E266 PolarHBondContact NH1-OE2 3.13Å; S264-E266 VanDerWaalsContact C-N 3.27Å; S264-E266 PolarHBondContact O-N 3.07Å; E266-M269 PolarHBondContact O-N 3.4Å; E266-V270 VanDerWaalsContact O-CG2 3.27Å; E266-V270 WeakPolarHBondContact O-CG2 3.31Å; E266-V270 PolarHBondContact O-N 3.04Å |
| 267 | I | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.5 | -40.8 | -179.4 | -63.9 | -179.9 | 0 | 0 | 0 | 109.6 | S225 R228 R229 I232 D262 S264 D265 V270 A271 | S225-I267 WeakPolarHBondContact O-CD1 3.37Å; R228-I267 HydrophobicContact CB-CD1 3.85Å; R229-I267 HydrophobicContact CB-CD1 4.08Å; R229-I267 HydrophobicContact CB-CG1 3.88Å; R229-I267 HydrophobicContact CG-CG1 4.4Å; I232-I267 HydrophobicContact CG1-CG2 3.87Å; D262-I267 HydrophobicContact CB-CB 3.96Å; D262-I267 HydrophobicContact CB-CG2 3.7Å; S264-I267 WeakPolarHBondContact O-CB 3.49Å; S264-I267 PolarHBondContact O-N 3.5Å; D265-I267 VanDerWaalsContact C-N 3.3Å; D265-I267 PolarHBondContact O-N 3.08Å; I267-V270 PolarHBondContact O-N 3.41Å; I267-A271 WeakPolarHBondContact O-CB 3.39Å; I267-A271 PolarHBondContact O-N 3.48Å |
| 268 | R | 95 | Very high | 95.9 | Very high | 35 Ų | 35 | 47.7 Ų | 47.7 | 13% | 0.132 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 175.4 | -59.1 | -160.4 | -61.4 | -80.4 | 3 | 111.4 | G259 F260 D262 E263 S264 D265 V270 A271 T272 V422 | G259-R268 VanDerWaalsContact O-CA 3.32Å; G259-R268 WeakPolarHBondContact O-CA 3.31Å; G259-R268 WeakPolarHBondContact O-CG 3.32Å; F260-R268 WeakPolarHBondContact O-CD 3.32Å; D262-R268 VanDerWaalsContact O-CD 3.31Å; D262-R268 WeakPolarHBondContact O-CD 3.43Å; D262-R268 WeakPolarHBondContact O-CG 3.44Å; D262-R268 PolarHBondContact O-NH1 3.26Å; E263-R268 PolarHBondContact O-NH1 3.31Å; S264-R268 PolarHBondContact O-N 2.72Å; D265-R268 PolarHBondContact O-N 2.89Å; D265-R268 IonicContact OD1-CZ 3.94Å; D265-R268 IonicContact OD1-NH1 3.57Å; D265-R268 PolarHBondContact OD1-NH1 3.08Å; D265-R268 IonicContact OD1-NH2 3.18Å; D265-R268 PolarHBondContact OD1-NH2 3.02Å; D265-R268 IonicContact OD2-NH2 2.67Å; R268-V270 PolarHBondContact O-N 3.07Å; R268-A271 PolarHBondContact O-N 3.48Å; R268-T272 WeakPolarHBondContact O-CB 3.33Å; R268-T272 PolarHBondContact O-N 3.33Å; R268-T272 PolarHBondContact O-OG1 3.31Å; R268-V422 VanDerWaalsContact CD-CG2 3.4Å |
| 269 | M | 95.2 | Very high | 96 | Very high | 141 Ų | 141 | 47.1 Ų | 47.1 | 70% | 0.695 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -59.2 | -44.7 | 176.8 | -71.5 | -179.7 | 65.6 | 0 | 0 | 112.3 | D265 E266 K273 | D265-M269 WeakPolarHBondContact O-CG 3.42Å; D265-M269 PolarHBondContact O-N 3.24Å; E266-M269 PolarHBondContact O-N 3.4Å; M269-K273 WeakPolarHBondContact O-CB 3.35Å; M269-K273 PolarHBondContact O-N 2.97Å |
| 270 | V | 98.2 | Very high | 96.1 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 16% | 0.164 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 177.8 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | I232 E233 E266 I267 R268 T272 K273 L274 | I232-V270 HydrophobicContact CG2-CG1 4.36Å; E233-V270 HydrophobicContact CG-CG1 3.73Å; E266-V270 VanDerWaalsContact O-CG2 3.27Å; E266-V270 WeakPolarHBondContact O-CG2 3.31Å; E266-V270 PolarHBondContact O-N 3.04Å; I267-V270 PolarHBondContact O-N 3.41Å; R268-V270 PolarHBondContact O-N 3.07Å; V270-T272 PolarHBondContact O-N 2.96Å; V270-K273 PolarHBondContact O-N 2.87Å; V270-L274 HydrophobicContact CG1-CD1 3.63Å; V270-L274 HydrophobicContact CG1-CG 4.32Å; V270-L274 WeakPolarHBondContact O-CB 3.26Å; V270-L274 WeakPolarHBondContact O-CG 3.49Å; V270-L274 PolarHBondContact O-N 3.5Å |
| 271 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I232 F260 I267 R268 K273 L274 W275 | I232-A271 HydrophobicContact CG2-CB 3.86Å; F260-A271 HydrophobicContact CD2-CB 3.84Å; F260-A271 HydrophobicContact CE2-CB 3.98Å; I267-A271 WeakPolarHBondContact O-CB 3.39Å; I267-A271 PolarHBondContact O-N 3.48Å; R268-A271 PolarHBondContact O-N 3.48Å; A271-K273 PolarHBondContact O-N 3.12Å; A271-L274 PolarHBondContact O-N 3Å; A271-W275 VanDerWaalsContact O-CB 3.23Å; A271-W275 WeakPolarHBondContact O-CB 3.34Å; A271-W275 PolarHBondContact O-N 3.31Å |
| 272 | T | 95.5 | Very high | 96.4 | Very high | 59 Ų | 59 | 53 Ų | 53 | 36% | 0.362 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.1 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | R268 V270 H276 | R268-T272 WeakPolarHBondContact O-CB 3.33Å; R268-T272 PolarHBondContact O-N 3.33Å; R268-T272 PolarHBondContact O-OG1 3.31Å; V270-T272 PolarHBondContact O-N 2.96Å; T272-H276 PolarHBondContact O-N 3.3Å; T272-H276 VanDerWaalsContact O-N 3.08Å |
| 273 | K | 97.6 | Very high | 96.5 | Very high | 141 Ų | 141 | 54 Ų | 54 | 61% | 0.613 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.1 | -50.6 | 176.9 | -174.9 | 179.2 | 178.3 | -177.9 | 0 | 111 | M269 V270 A271 W275 H276 H277 | M269-K273 WeakPolarHBondContact O-CB 3.35Å; M269-K273 PolarHBondContact O-N 2.97Å; V270-K273 PolarHBondContact O-N 2.87Å; A271-K273 PolarHBondContact O-N 3.12Å; K273-W275 VanDerWaalsContact C-N 3.32Å; K273-W275 PolarHBondContact O-N 3.46Å; K273-H276 PolarHBondContact O-N 2.61Å; K273-H277 PolarHBondContact O-N 3.15Å; K273-H277 PolarHBondContact O-ND1 3.28Å |
| 274 | L | 98.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 56 Ų | 56 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 179 | -74.2 | 166.4 | 0 | 0 | 0 | 111 | I232 E233 L240 L256 V270 A271 H276 H277 I278 | I232-L274 HydrophobicContact CG2-CD1 4.22Å; E233-L274 HydrophobicContact CG-CD1 4.47Å; L240-L274 HydrophobicContact CD1-CD2 4.37Å; L256-L274 HydrophobicContact CD1-CB 4.27Å; L256-L274 HydrophobicContact CD1-CD1 4.48Å; V270-L274 HydrophobicContact CG1-CD1 3.63Å; V270-L274 HydrophobicContact CG1-CG 4.32Å; V270-L274 WeakPolarHBondContact O-CB 3.26Å; V270-L274 WeakPolarHBondContact O-CG 3.49Å; V270-L274 PolarHBondContact O-N 3.5Å; A271-L274 PolarHBondContact O-N 3Å; L274-H276 VanDerWaalsContact C-N 3.32Å; L274-H276 PolarHBondContact O-N 3.12Å; L274-H277 PolarHBondContact O-N 3.37Å; L274-H277 VanDerWaalsContact O-N 3.1Å; L274-I278 WeakPolarHBondContact O-CD1 3.19Å; L274-I278 VanDerWaalsContact O-CG1 3.27Å; L274-I278 WeakPolarHBondContact O-CG1 3.42Å; L274-I278 PolarHBondContact O-N 2.89Å |
| 275 | W | 97.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 179.2 | -172.4 | -131.2 | 0 | 0 | 0 | 112.6 | L253 L256 L257 F260 A271 K273 H277 I278 G279 C315 L318 V319 H355 | L253-W275 HydrophobicContact CD1-CE3 4.21Å; L253-W275 HydrophobicContact CD1-CH2 3.2Å; L253-W275 HydrophobicContact CD1-CZ2 3.9Å; L253-W275 HydrophobicContact CD1-CZ3 3.38Å; L253-W275 HydrophobicContact CD2-CH2 4.48Å; L253-W275 HydrophobicContact CG-CH2 4.47Å; L256-W275 HydrophobicContact CD2-CB 4.19Å; L256-W275 HydrophobicContact CD2-CD2 4.17Å; L256-W275 HydrophobicContact CD2-CE3 3.44Å; L256-W275 VanDerWaalsContact CD2-CE3 3.44Å; L256-W275 HydrophobicContact CD2-CZ3 4.19Å; L257-W275 HydrophobicContact CD2-CD2 4.47Å; F260-W275 HydrophobicContact CE2-CB 3.93Å; F260-W275 HydrophobicContact CE2-CG 4.21Å; F260-W275 HydrophobicContact CZ-CB 3.79Å; F260-W275 AromaticContact CZ-CD1 3.51Å; F260-W275 AromaticContact CZ-CG 3.87Å; F260-W275 HydrophobicContact CZ-CG 3.87Å; A271-W275 VanDerWaalsContact O-CB 3.23Å; A271-W275 WeakPolarHBondContact O-CB 3.34Å; A271-W275 PolarHBondContact O-N 3.31Å; K273-W275 VanDerWaalsContact C-N 3.32Å; K273-W275 PolarHBondContact O-N 3.46Å; W275-H277 PolarHBondContact O-N 3.41Å; W275-I278 HydrophobicContact CE3-CB 4.14Å; W275-I278 HydrophobicContact CE3-CD1 4.22Å; W275-I278 HydrophobicContact CE3-CG2 4.06Å; W275-I278 HydrophobicContact CZ3-CB 4.45Å; W275-I278 HydrophobicContact CZ3-CG2 3.86Å; W275-I278 PolarHBondContact O-N 3.35Å; W275-G279 PolarHBondContact O-N 2.8Å; W275-C315 HydrophobicContact CD2-CB 4.43Å; W275-C315 HydrophobicContact CZ2-CB 3.71Å; W275-C315 WeakPolarHBondContact CZ2-O 3.49Å; W275-C315 PolarHBondContact O-SG 3.37Å; W275-L318 HydrophobicContact CH2-CB 3.72Å; W275-L318 HydrophobicContact CH2-CD1 3.75Å; W275-L318 HydrophobicContact CH2-CG 4.41Å; W275-L318 HydrophobicContact CZ2-CB 4.49Å; W275-L318 HydrophobicContact CZ3-CD1 3.87Å; W275-V319 HydrophobicContact CH2-CG2 4.45Å; W275-V319 HydrophobicContact CZ2-CG2 3.89Å; W275-H355 AromaticContact CD1-NE2 3.85Å; W275-H355 AromaticContact CE2-NE2 3.97Å; W275-H355 AromaticContact NE1-CD2 3.7Å; W275-H355 AromaticContact NE1-NE2 2.98Å; W275-H355 PolarHBondContact NE1-NE2 2.83Å |
| 276 | H | 97.6 | Very high | 97.1 | Very high | 72 Ų | 72 | 54.6 Ų | 54.6 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 174.4 | -175.5 | 64.9 | 0 | 0 | 0 | 112.6 | T272 K273 L274 G279 L280 I312 | T272-H276 PolarHBondContact O-N 3.3Å; T272-H276 VanDerWaalsContact O-N 3.08Å; K273-H276 PolarHBondContact O-N 2.61Å; L274-H276 VanDerWaalsContact C-N 3.32Å; L274-H276 PolarHBondContact O-N 3.12Å; H276-G279 PolarHBondContact O-N 2.89Å; H276-L280 WeakPolarHBondContact O-CG 3.3Å; H276-L280 PolarHBondContact O-N 3.4Å; H276-L280 VanDerWaalsContact O-N 3.07Å; H276-I312 VanDerWaalsContact O-CD1 3.3Å; H276-I312 WeakPolarHBondContact O-CD1 3.08Å |
| 277 | H | 98.7 | Very high | 97 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 40% | 0.403 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 177.7 | -67.6 | 79.3 | 0 | 0 | 0 | 112.3 | L240 K273 L274 W275 G279 L280 K281 | L240-H277 HydrophobicContact CD2-CB 4.22Å; K273-H277 PolarHBondContact O-N 3.15Å; K273-H277 PolarHBondContact O-ND1 3.28Å; L274-H277 PolarHBondContact O-N 3.37Å; L274-H277 VanDerWaalsContact O-N 3.1Å; W275-H277 PolarHBondContact O-N 3.41Å; H277-G279 VanDerWaalsContact C-N 3.33Å; H277-L280 PolarHBondContact O-N 3.5Å; H277-K281 WeakPolarHBondContact O-CB 3.23Å; H277-K281 PolarHBondContact O-N 3.22Å |
| 278 | I | 98.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 175.9 | -69 | 158.5 | 0 | 0 | 0 | 110.3 | L239 L240 L256 L274 W275 K281 F282 L318 | L239-I278 HydrophobicContact CB-CD1 3.58Å; L239-I278 HydrophobicContact CB-CG1 3.97Å; L239-I278 HydrophobicContact CB-CG2 4.23Å; L239-I278 HydrophobicContact CD1-CD1 4.04Å; L239-I278 HydrophobicContact CG-CD1 4.48Å; L240-I278 HydrophobicContact CD1-CG1 4.49Å; L240-I278 HydrophobicContact CD2-CB 4.39Å; L240-I278 HydrophobicContact CD2-CG1 3.74Å; L240-I278 HydrophobicContact CG-CG1 3.69Å; L256-I278 HydrophobicContact CD2-CD1 3.44Å; L256-I278 VanDerWaalsContact CD2-CD1 3.44Å; L274-I278 WeakPolarHBondContact O-CD1 3.19Å; L274-I278 VanDerWaalsContact O-CG1 3.27Å; L274-I278 WeakPolarHBondContact O-CG1 3.42Å; L274-I278 PolarHBondContact O-N 2.89Å; W275-I278 HydrophobicContact CE3-CB 4.14Å; W275-I278 HydrophobicContact CE3-CD1 4.22Å; W275-I278 HydrophobicContact CE3-CG2 4.06Å; W275-I278 HydrophobicContact CZ3-CB 4.45Å; W275-I278 HydrophobicContact CZ3-CG2 3.86Å; W275-I278 PolarHBondContact O-N 3.35Å; I278-K281 PolarHBondContact O-N 3.15Å; I278-F282 WeakPolarHBondContact O-CB 3.27Å; I278-F282 PolarHBondContact O-N 2.93Å; I278-L318 HydrophobicContact CG2-CD1 3.7Å |
| 279 | G | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | W275 H276 H277 K281 F282 E283 | W275-G279 PolarHBondContact O-N 2.8Å; H276-G279 PolarHBondContact O-N 2.89Å; H277-G279 VanDerWaalsContact C-N 3.33Å; G279-K281 VanDerWaalsContact C-N 3.33Å; G279-K281 PolarHBondContact O-N 2.81Å; G279-F282 PolarHBondContact O-N 2.95Å; G279-E283 WeakPolarHBondContact O-CG 3.17Å; G279-E283 PolarHBondContact O-N 3.2Å |
| 280 | L | 98.2 | Very high | 96.6 | Very high | 76 Ų | 76 | 61.1 Ų | 61.1 | 40% | 0.398 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 177.2 | -69.6 | 176.5 | 0 | 0 | 0 | 111.8 | H276 H277 E283 K284 I312 | H276-L280 WeakPolarHBondContact O-CG 3.3Å; H276-L280 PolarHBondContact O-N 3.4Å; H276-L280 VanDerWaalsContact O-N 3.07Å; H277-L280 PolarHBondContact O-N 3.5Å; L280-E283 PolarHBondContact O-N 2.65Å; L280-K284 PolarHBondContact O-N 3.22Å; L280-K284 VanDerWaalsContact O-N 3.07Å; L280-I312 HydrophobicContact CB-CD1 4.41Å; L280-I312 HydrophobicContact CD2-CD1 3.74Å; L280-I312 HydrophobicContact CG-CD1 3.7Å; L280-I312 VanDerWaalsContact N-CD1 3.33Å |
| 281 | K | 97.7 | Very high | 96.4 | Very high | 57 Ų | 57 | 65.6 Ų | 65.6 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 176.9 | -169.1 | 172.9 | -171.2 | 179 | 0 | 111 | L240 D241 H277 I278 G279 K284 E285 | L240-K281 HydrophobicContact CB-CD 4.5Å; L240-K281 HydrophobicContact CD2-CB 4.2Å; L240-K281 HydrophobicContact CD2-CD 3.96Å; L240-K281 WeakPolarHBondContact O-CD 3.34Å; L240-K281 WeakPolarHBondContact O-CE 3.39Å; L240-K281 PolarHBondContact O-NZ 3.02Å; D241-K281 IonicContact OD1-NZ 3.28Å; D241-K281 PolarHBondContact OD1-NZ 3.09Å; H277-K281 WeakPolarHBondContact O-CB 3.23Å; H277-K281 PolarHBondContact O-N 3.22Å; I278-K281 PolarHBondContact O-N 3.15Å; G279-K281 VanDerWaalsContact C-N 3.33Å; G279-K281 PolarHBondContact O-N 2.81Å; K281-K284 PolarHBondContact O-N 3.15Å; K281-E285 VanDerWaalsContact CE-OE1 3.24Å; K281-E285 WeakPolarHBondContact CE-OE1 3.47Å; K281-E285 VanDerWaalsContact O-CG 3.29Å; K281-E285 WeakPolarHBondContact O-CG 3.13Å; K281-E285 PolarHBondContact O-N 3.32Å |
| 282 | F | 96.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 71.2 Ų | 71.2 | 1% | 0.013 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.2 | -179 | -94.3 | 0 | 0 | 0 | 112.6 | Y246 I278 G279 K284 E285 N286 L290 E317 L318 | Y246-F282 AromaticContact CE1-CD2 3.61Å; Y246-F282 HydrophobicContact CE1-CD2 3.61Å; Y246-F282 AromaticContact CE1-CE2 3.77Å; Y246-F282 HydrophobicContact CE1-CE2 3.77Å; Y246-F282 AromaticContact CZ-CD2 3.93Å; Y246-F282 WeakPolarHBondContact OH-CD2 3.44Å; I278-F282 WeakPolarHBondContact O-CB 3.27Å; I278-F282 PolarHBondContact O-N 2.93Å; G279-F282 PolarHBondContact O-N 2.95Å; F282-K284 VanDerWaalsContact C-N 3.35Å; F282-K284 PolarHBondContact O-N 2.92Å; F282-E285 PolarHBondContact O-N 3.13Å; F282-N286 WeakPolarHBondContact CD2-ND2 3.37Å; F282-N286 HydrophobicContact CE1-CB 4.44Å; F282-N286 WeakPolarHBondContact CE2-ND2 3.27Å; F282-N286 HydrophobicContact CZ-CB 4.45Å; F282-N286 WeakPolarHBondContact O-CB 3.25Å; F282-N286 PolarHBondContact O-N 3.08Å; F282-N286 PolarHBondContact O-ND2 3.04Å; F282-L290 HydrophobicContact CD1-CD1 4.05Å; F282-L290 HydrophobicContact CE1-CD1 3.84Å; F282-E317 HydrophobicContact CE1-CB 3.79Å; F282-E317 HydrophobicContact CE1-CG 3.57Å; F282-E317 HydrophobicContact CZ-CB 4.49Å; F282-E317 HydrophobicContact CZ-CG 3.91Å; F282-L318 HydrophobicContact CB-CD1 4.04Å; F282-L318 HydrophobicContact CB-CD2 4.43Å; F282-L318 HydrophobicContact CB-CG 4.3Å; F282-L318 HydrophobicContact CD1-CG 4.23Å; F282-L318 HydrophobicContact CD2-CD1 4.47Å; F282-L318 HydrophobicContact CD2-CD2 3.4Å; F282-L318 VanDerWaalsContact CD2-CD2 3.4Å; F282-L318 HydrophobicContact CD2-CG 3.95Å; F282-L318 HydrophobicContact CE2-CD2 3.65Å; F282-L318 HydrophobicContact CE2-CG 4.31Å; F282-L318 HydrophobicContact CG-CD1 4.17Å; F282-L318 HydrophobicContact CG-CD2 3.87Å; F282-L318 HydrophobicContact CG-CG 3.88Å; F282-L318 HydrophobicContact CZ-CD2 4.31Å |
| 283 | E | 96.4 | Very high | 95.9 | Very high | 30 Ų | 30 | 73.2 Ų | 73.2 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.9 | -50.6 | 174.9 | -76.5 | 168.7 | -167.1 | 0 | 0 | 110.7 | G279 L280 E285 N286 E287 L290 L313 G314 | G279-E283 WeakPolarHBondContact O-CG 3.17Å; G279-E283 PolarHBondContact O-N 3.2Å; L280-E283 PolarHBondContact O-N 2.65Å; E283-E285 VanDerWaalsContact C-N 3.31Å; E283-E285 PolarHBondContact O-N 3.26Å; E283-N286 CarbonylContact O-C 3.41Å; E283-N286 PolarHBondContact O-N 2.78Å; E283-E287 WeakPolarHBondContact O-CA 3.25Å; E283-E287 VanDerWaalsContact O-CG 3.28Å; E283-E287 WeakPolarHBondContact O-CG 3.49Å; E283-E287 PolarHBondContact O-N 3.46Å; E283-L290 HydrophobicContact CG-CD1 4.37Å; E283-L313 WeakPolarHBondContact OE1-CA 3.4Å; E283-L313 WeakPolarHBondContact OE1-CB 3.42Å; E283-L313 PolarHBondContact OE1-N 3.48Å; E283-G314 PolarHBondContact OE1-N 2.79Å |
| 284 | K | 96.4 | Very high | 95.4 | Very high | 153 Ų | 153 | 69.8 Ų | 69.8 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.6 | -37.6 | 179 | -175.1 | 177.7 | 179.7 | 179 | 0 | 113.7 | L280 K281 F282 N286 E287 | L280-K284 PolarHBondContact O-N 3.22Å; L280-K284 VanDerWaalsContact O-N 3.07Å; K281-K284 PolarHBondContact O-N 3.15Å; F282-K284 VanDerWaalsContact C-N 3.35Å; F282-K284 PolarHBondContact O-N 2.92Å; K284-N286 VanDerWaalsContact C-N 3.34Å; K284-E287 WeakPolarHBondContact O-CG 3.27Å |
| 285 | E | 95.5 | Very high | 95 | Very high | 83 Ų | 83 | 73 Ų | 73 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -81.5 | -17.7 | -177.9 | -70 | 167.8 | 152.4 | 0 | 0 | 113 | R245 Y246 K281 F282 E283 | R245-E285 IonicContact CZ-OE1 2.74Å; R245-E285 IonicContact CZ-OE2 3.54Å; R245-E285 IonicContact NE-OE2 3.56Å; R245-E285 IonicContact NH2-OE1 3.77Å; R245-E285 PolarHBondContact NH2-OE1 3.1Å; R245-E285 IonicContact NH2-OE2 3.7Å; R245-E285 PolarHBondContact NH2-OE2 3.41Å; Y246-E285 PolarHBondContact OH-OE2 3.34Å; K281-E285 VanDerWaalsContact CE-OE1 3.24Å; K281-E285 WeakPolarHBondContact CE-OE1 3.47Å; K281-E285 VanDerWaalsContact O-CG 3.29Å; K281-E285 WeakPolarHBondContact O-CG 3.13Å; K281-E285 PolarHBondContact O-N 3.32Å; F282-E285 PolarHBondContact O-N 3.13Å; E283-E285 VanDerWaalsContact C-N 3.31Å; E283-E285 PolarHBondContact O-N 3.26Å |
| 286 | N | 95.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 79.5 Ų | 79.5 | 9% | 0.086 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 24.3 | -176.6 | -60.4 | -94.9 | 0 | 0 | 0 | 111.7 | Y246 F282 E283 K284 E288 Q289 L290 | Y246-N286 PolarHBondContact OH-ND2 3.42Å; F282-N286 WeakPolarHBondContact CD2-ND2 3.37Å; F282-N286 HydrophobicContact CE1-CB 4.44Å; F282-N286 WeakPolarHBondContact CE2-ND2 3.27Å; F282-N286 HydrophobicContact CZ-CB 4.45Å; F282-N286 WeakPolarHBondContact O-CB 3.25Å; F282-N286 PolarHBondContact O-N 3.08Å; F282-N286 PolarHBondContact O-ND2 3.04Å; E283-N286 CarbonylContact O-C 3.41Å; E283-N286 PolarHBondContact O-N 2.78Å; K284-N286 VanDerWaalsContact C-N 3.34Å; N286-E288 PolarHBondContact O-N 3.32Å; N286-Q289 HydrophobicContact CB-CB 4.48Å; N286-Q289 PolarHBondContact O-N 3.35Å; N286-Q289 PolarHBondContact OD1-OE1 3.41Å; N286-L290 HydrophobicContact CB-CD1 4.01Å; N286-L290 HydrophobicContact CB-CG 4.19Å; N286-L290 WeakPolarHBondContact O-CB 3.36Å; N286-L290 WeakPolarHBondContact O-CG 3.46Å; N286-L290 PolarHBondContact O-N 3.38Å |
| 287 | E | 93.3 | Very high | 93.7 | Very high | 115 Ų | 115 | 80.4 Ų | 80.4 | 54% | 0.537 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -51.3 | -43.7 | -176.4 | -73.7 | 177.4 | -169.4 | 0 | 0 | 111.8 | E283 K284 Q289 L290 K291 | E283-E287 WeakPolarHBondContact O-CA 3.25Å; E283-E287 VanDerWaalsContact O-CG 3.28Å; E283-E287 WeakPolarHBondContact O-CG 3.49Å; E283-E287 PolarHBondContact O-N 3.46Å; K284-E287 WeakPolarHBondContact O-CG 3.27Å; E287-Q289 PolarHBondContact O-N 2.99Å; E287-L290 CarbonylContact O-C 3.58Å; E287-L290 PolarHBondContact O-N 2.91Å; E287-K291 VanDerWaalsContact O-CA 3.3Å; E287-K291 WeakPolarHBondContact O-CA 3.33Å; E287-K291 WeakPolarHBondContact O-CB 3.46Å; E287-K291 PolarHBondContact O-N 2.83Å |
| 288 | E | 94.5 | Very high | 92.6 | Very high | 185 Ų | 185 | 84.3 Ų | 84.3 | 86% | 0.864 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 178.9 | -64.2 | -174.2 | 168 | 0 | 0 | 112.9 | N286 | N286-E288 PolarHBondContact O-N 3.32Å |
| 289 | Q | 94.1 | Very high | 91.8 | Very high | 130 Ų | 130 | 85.1 Ų | 85.1 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -75.2 | -29.4 | 179.7 | -63.9 | 176.4 | 17.8 | 0 | 0 | 112.2 | N286 E287 | N286-Q289 HydrophobicContact CB-CB 4.48Å; N286-Q289 PolarHBondContact O-N 3.35Å; N286-Q289 PolarHBondContact OD1-OE1 3.41Å; E287-Q289 PolarHBondContact O-N 2.99Å |
| 290 | L | 92.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 88.5 Ų | 88.5 | 2% | 0.016 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -98.5 | -1.6 | -176.6 | -63.6 | 176.7 | 0 | 0 | 0 | 112.9 | F282 E283 N286 E287 D292 K293 L294 L313 E317 | F282-L290 HydrophobicContact CD1-CD1 4.05Å; F282-L290 HydrophobicContact CE1-CD1 3.84Å; E283-L290 HydrophobicContact CG-CD1 4.37Å; N286-L290 HydrophobicContact CB-CD1 4.01Å; N286-L290 HydrophobicContact CB-CG 4.19Å; N286-L290 WeakPolarHBondContact O-CB 3.36Å; N286-L290 WeakPolarHBondContact O-CG 3.46Å; N286-L290 PolarHBondContact O-N 3.38Å; E287-L290 CarbonylContact O-C 3.58Å; E287-L290 PolarHBondContact O-N 2.91Å; L290-D292 VanDerWaalsContact C-N 3.34Å; L290-D292 PolarHBondContact O-N 3.22Å; L290-K293 HydrophobicContact CD2-CD 4.38Å; L290-K293 CarbonylContact O-C 3.57Å; L290-K293 WeakPolarHBondContact O-CA 3.44Å; L290-K293 PolarHBondContact O-N 2.7Å; L290-L294 HydrophobicContact CB-CD1 3.95Å; L290-L294 HydrophobicContact CB-CG 4.19Å; L290-L294 WeakPolarHBondContact O-CG 3.28Å; L290-L294 PolarHBondContact O-N 3.16Å; L290-L313 HydrophobicContact CB-CD2 4.39Å; L290-E317 HydrophobicContact CD2-CG 4.05Å |
| 291 | K | 92.5 | Very high | 90.2 | Very high | 120 Ų | 120 | 86.1 Ų | 86.1 | 52% | 0.522 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -48.9 | -53.2 | -171.5 | -173.3 | 176.9 | 179.3 | -176.8 | 0 | 112.3 | E287 K293 L294 D295 | E287-K291 VanDerWaalsContact O-CA 3.3Å; E287-K291 WeakPolarHBondContact O-CA 3.33Å; E287-K291 WeakPolarHBondContact O-CB 3.46Å; E287-K291 PolarHBondContact O-N 2.83Å; K291-K293 VanDerWaalsContact C-N 3.32Å; K291-K293 PolarHBondContact O-N 3Å; K291-L294 PolarHBondContact O-N 3.12Å; K291-L294 VanDerWaalsContact O-N 3.14Å; K291-D295 WeakPolarHBondContact CE-OD2 3.43Å; K291-D295 WeakPolarHBondContact CG-OD2 3.26Å; K291-D295 WeakPolarHBondContact O-CB 3.06Å; K291-D295 PolarHBondContact O-N 3.47Å |
| 292 | D | 92.6 | Very high | 89 | Confident | 119 Ų | 119 | 87.3 Ų | 87.3 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.9 | -39.7 | -179.9 | -64.2 | -16.8 | 0 | 0 | 0 | 112.1 | L290 L294 F296 | L290-D292 VanDerWaalsContact C-N 3.34Å; L290-D292 PolarHBondContact O-N 3.22Å; D292-L294 VanDerWaalsContact C-N 3.33Å; D292-L294 PolarHBondContact O-N 2.99Å; D292-F296 WeakPolarHBondContact O-CB 3.46Å; D292-F296 VanDerWaalsContact O-CD2 3.27Å; D292-F296 WeakPolarHBondContact O-CD2 3.18Å; D292-F296 PolarHBondContact O-N 2.97Å |
| 293 | K | 89.9 | Confident | 88.1 | Confident | 100 Ų | 100 | 89.2 Ų | 89.2 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.3 | -29.6 | 177.8 | -66.6 | -173.4 | -176.2 | -174.7 | 0 | 112.8 | L290 K291 L313 E317 | L290-K293 HydrophobicContact CD2-CD 4.38Å; L290-K293 CarbonylContact O-C 3.57Å; L290-K293 WeakPolarHBondContact O-CA 3.44Å; L290-K293 PolarHBondContact O-N 2.7Å; K291-K293 VanDerWaalsContact C-N 3.32Å; K291-K293 PolarHBondContact O-N 3Å; K293-L313 HydrophobicContact CB-CD1 4.14Å; K293-L313 HydrophobicContact CB-CD2 3.66Å; K293-L313 HydrophobicContact CD-CD1 4.07Å; K293-E317 IonicContact NZ-OE2 3.61Å; K293-E317 PolarHBondContact NZ-OE2 3.24Å |
| 294 | L | 88.3 | Confident | 87.5 | Confident | 69 Ų | 69 | 89 Ų | 89 | 36% | 0.361 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -77.4 | -44.3 | 176.4 | -73.3 | 167.7 | 0 | 0 | 0 | 111.2 | L290 K291 D292 F296 L313 | L290-L294 HydrophobicContact CB-CD1 3.95Å; L290-L294 HydrophobicContact CB-CG 4.19Å; L290-L294 WeakPolarHBondContact O-CG 3.28Å; L290-L294 PolarHBondContact O-N 3.16Å; K291-L294 PolarHBondContact O-N 3.12Å; K291-L294 VanDerWaalsContact O-N 3.14Å; D292-L294 VanDerWaalsContact C-N 3.33Å; D292-L294 PolarHBondContact O-N 2.99Å; L294-F296 VanDerWaalsContact C-N 3.33Å; L294-L313 HydrophobicContact CD2-CD2 3.65Å; L294-L313 HydrophobicContact CG-CD2 3.77Å |
| 295 | D | 89.7 | Confident | 86.7 | Confident | 102 Ų | 102 | 81.8 Ų | 81.8 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.5 | -31.7 | -180 | -71.5 | -13.2 | 0 | 0 | 0 | 111.5 | K291 | K291-D295 WeakPolarHBondContact CE-OD2 3.43Å; K291-D295 WeakPolarHBondContact CG-OD2 3.26Å; K291-D295 WeakPolarHBondContact O-CB 3.06Å; K291-D295 PolarHBondContact O-N 3.47Å |
| 296 | F | 86.6 | Confident | 85.6 | Confident | 144 Ų | 144 | 80.1 Ų | 80.1 | 63% | 0.632 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | 50.8 | -177.7 | -56.4 | -77.4 | 0 | 0 | 0 | 113.3 | D292 L294 H298 | D292-F296 WeakPolarHBondContact O-CB 3.46Å; D292-F296 VanDerWaalsContact O-CD2 3.27Å; D292-F296 WeakPolarHBondContact O-CD2 3.18Å; D292-F296 PolarHBondContact O-N 2.97Å; L294-F296 VanDerWaalsContact C-N 3.33Å; F296-H298 PolarHBondContact O-N 3.42Å |
| 297 | D | 81.5 | Confident | 84.4 | Confident | 92 Ų | 92 | 80.9 Ų | 80.9 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | trans | -72.5 | 110.1 | 172.5 | -170.7 | 7.4 | 0 | 0 | 0 | 111.2 | G299 R310 | D297-G299 PolarHBondContact O-N 3.47Å; D297-G299 PolarHBondContact OD1-N 3.48Å; D297-R310 IonicContact OD1-CZ 3.8Å; D297-R310 IonicContact OD1-NH1 2.73Å; D297-R310 PolarHBondContact OD1-NH1 3.01Å; D297-R310 IonicContact OD1-NH2 3.48Å; D297-R310 IonicContact OD2-NH1 3.9Å; D297-R310 PolarHBondContact OD2-NH1 2.94Å | ||
| 298 | H | 76.1 | Confident | 83.7 | Confident | 168 Ų | 168 | 76.2 Ų | 76.2 | 78% | 0.778 | 39% | 0.39 | S | S | * | . | trans | -73 | 1.3 | 175.9 | -59.6 | -54.1 | 0 | 0 | 0 | 114 | F296 | F296-H298 PolarHBondContact O-N 3.42Š| ||
| 299 | G | 81.8 | Confident | 83.1 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 23% | 0.227 | 38% | 0.384 | C | S | . | . | trans | 75.3 | -171.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D297 R310 | D297-G299 PolarHBondContact O-N 3.47Å; D297-G299 PolarHBondContact OD1-N 3.48Å; G299-R310 VanDerWaalsContact C-NH1 3.26Å; G299-R310 PolarHBondContact O-NH1 3.3Å; G299-R310 VanDerWaalsContact O-NH1 3.07Å; G299-R310 PolarHBondContact O-NH2 2.72Å | ||
| 300 | P | 82.1 | Confident | 82.9 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 47% | 0.468 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -60.2 | 142.5 | 175.8 | 25.2 | -31.8 | 0 | 0 | 0 | 110.8 | Y304 R310 | P300-Y304 HydrophobicContact CB-CD1 4.44Å; P300-Y304 HydrophobicContact CB-CD2 4.34Å; P300-Y304 HydrophobicContact CB-CG 4.01Å; P300-R310 HydrophobicContact CB-CG 4.49Å |
| 301 | P | 80.5 | Confident | 82.9 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | trans | -46.9 | 144.8 | 168.2 | -26.7 | 31.5 | 0 | 0 | 0 | 111.5 | H303 Y304 E357 | P301-H303 PolarHBondContact O-N 2.82Å; P301-H303 VanDerWaalsContact O-N 3.09Å; P301-Y304 HydrophobicContact CG-CD2 4.3Å; P301-Y304 WeakPolarHBondContact O-CB 3.16Å; P301-Y304 PolarHBondContact O-N 3.26Å; P301-E357 HydrophobicContact CG-CB 4.17Å; P301-E357 HydrophobicContact CG-CG 4.32Å | ||
| 302 | F | 72.5 | Confident | 82.9 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -37.8 | -174.7 | -176.6 | -84.5 | 0 | 0 | 0 | 113.3 | Y304 H635 I638 I639 | F302-Y304 VanDerWaalsContact C-N 3.31Å; F302-Y304 PolarHBondContact O-N 3.21Å; F302-H635 AromaticContact CD2-CD2 3.5Å; F302-H635 HydrophobicContact CE2-CB 4.38Å; F302-H635 AromaticContact CE2-CD2 3.8Å; F302-I638 HydrophobicContact CB-CD1 3.57Å; F302-I638 HydrophobicContact CB-CG2 4.44Å; F302-I638 HydrophobicContact CD1-CB 4.35Å; F302-I638 HydrophobicContact CD1-CD1 4.46Å; F302-I638 HydrophobicContact CD1-CG2 3.34Å; F302-I638 HydrophobicContact CD2-CB 4.06Å; F302-I638 HydrophobicContact CD2-CD1 3.78Å; F302-I638 HydrophobicContact CD2-CG2 3.92Å; F302-I638 HydrophobicContact CE1-CB 4.36Å; F302-I638 HydrophobicContact CE1-CG2 3.35Å; F302-I638 HydrophobicContact CE2-CB 4.07Å; F302-I638 HydrophobicContact CE2-CG2 3.93Å; F302-I638 HydrophobicContact CG-CB 4.2Å; F302-I638 HydrophobicContact CG-CD1 3.69Å; F302-I638 HydrophobicContact CG-CG2 3.64Å; F302-I638 HydrophobicContact CZ-CB 4.22Å; F302-I638 HydrophobicContact CZ-CG2 3.65Å; F302-I639 HydrophobicContact CE2-CG1 4.3Å; F302-I639 HydrophobicContact CZ-CG1 4Å |
| 303 | H | 77.3 | Confident | 83 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 20% | 0.199 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 12.6 | -178.8 | -61.6 | -61.5 | 0 | 0 | 0 | 113.6 | P301 C454 P496 N498 | P301-H303 PolarHBondContact O-N 2.82Å; P301-H303 VanDerWaalsContact O-N 3.09Å; H303-C454 PolarHBondContact O-SG 2.89Å; H303-P496 HydrophobicContact CB-CB 4.39Å; H303-P496 HydrophobicContact CB-CG 4.19Å; H303-P496 WeakPolarHBondContact CD2-CG 3.43Å; H303-P496 WeakPolarHBondContact CE1-CB 3.32Å; H303-P496 VanDerWaalsContact ND1-CB 3.26Å; H303-P496 WeakPolarHBondContact ND1-CB 3.46Å; H303-P496 WeakPolarHBondContact NE2-CG 3.35Å; H303-N498 PolarHBondContact CE1-OD1 2.75Å; H303-N498 VanDerWaalsContact CE1-OD1 3.26Å; H303-N498 PolarHBondContact NE2-ND2 3.13Å; H303-N498 PolarHBondContact NE2-OD1 3.27Å |
| 304 | Y | 83.2 | Confident | 83.4 | Confident | 25 Ų | 25 | 59 Ų | 59 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 136.4 | -178 | -162.3 | -96.9 | 0 | 0 | 0 | 111.3 | P300 P301 F302 C306 C308 R310 P311 L354 E357 M455 | P300-Y304 HydrophobicContact CB-CD1 4.44Å; P300-Y304 HydrophobicContact CB-CD2 4.34Å; P300-Y304 HydrophobicContact CB-CG 4.01Å; P301-Y304 HydrophobicContact CG-CD2 4.3Å; P301-Y304 WeakPolarHBondContact O-CB 3.16Å; P301-Y304 PolarHBondContact O-N 3.26Å; F302-Y304 VanDerWaalsContact C-N 3.31Å; F302-Y304 PolarHBondContact O-N 3.21Å; Y304-C306 PolarHBondContact O-N 3.26Å; Y304-C306 VanDerWaalsContact O-N 3.15Å; Y304-C308 HydrophobicContact CD1-CB 4.38Å; Y304-C308 HydrophobicContact CE1-CB 3.8Å; Y304-R310 HydrophobicContact CE1-CB 4.26Å; Y304-R310 HydrophobicContact CE2-CG 4.16Å; Y304-R310 WeakPolarHBondContact OH-CA 3.38Å; Y304-P311 WeakPolarHBondContact OH-CD 3.5Å; Y304-L354 HydrophobicContact CE1-CD1 4.19Å; Y304-L354 HydrophobicContact CE2-CD1 4.04Å; Y304-L354 WeakPolarHBondContact OH-CD1 3.38Å; Y304-L354 VanDerWaalsContact OH-CG 3.31Å; Y304-L354 WeakPolarHBondContact OH-CG 3.28Å; Y304-E357 HydrophobicContact CE2-CG 4.19Å; Y304-M455 HydrophobicContact CD2-CE 3.7Å; Y304-M455 HydrophobicContact CE2-CE 3.87Å |
| 305 | P | 80.7 | Confident | 83.8 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 122.1 | -176.4 | -31.9 | 38.6 | 0 | 0 | 0 | 112.5 | C308 L354 F399 M455 | P305-C308 HydrophobicContact CB-CB 4.24Å; P305-C308 VanDerWaalsContact O-CB 3.26Å; P305-C308 WeakPolarHBondContact O-CB 3.28Å; P305-C308 PolarHBondContact O-N 2.79Å; P305-L354 HydrophobicContact CG-CD1 3.92Å; P305-F399 HydrophobicContact CB-CB 3.86Å; P305-F399 HydrophobicContact CB-CD1 3.97Å; P305-F399 HydrophobicContact CB-CG 3.99Å; P305-M455 HydrophobicContact CG-CE 4Å |
| 306 | C | 72.2 | Confident | 84.1 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 32% | 0.324 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 143.3 | -179.8 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | Y304 C308 F399 K401 | Y304-C306 PolarHBondContact O-N 3.26Å; Y304-C306 VanDerWaalsContact O-N 3.15Å; C306-C308 PolarHBondContact O-N 3.2Å; C306-F399 WeakPolarHBondContact CA-O 3.47Å; C306-F399 WeakPolarHBondContact CB-O 3.33Å; C306-F399 PolarHBondContact N-O 2.82Å; C306-K401 HydrophobicContact CB-CG 4.26Å; C306-K401 WeakPolarHBondContact SG-CG 3.28Å |
| 307 | G | 71.2 | Confident | 84.5 | Confident | 33 Ų | 33 | 46 Ų | 46 | 34% | 0.34 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -13.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 308 | C | 77.6 | Confident | 85.2 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 11% | 0.108 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -87.7 | 134.5 | -177.1 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | Y304 P305 C306 I417 | Y304-C308 HydrophobicContact CD1-CB 4.38Å; Y304-C308 HydrophobicContact CE1-CB 3.8Å; P305-C308 HydrophobicContact CB-CB 4.24Å; P305-C308 VanDerWaalsContact O-CB 3.26Å; P305-C308 WeakPolarHBondContact O-CB 3.28Å; P305-C308 PolarHBondContact O-N 2.79Å; C306-C308 PolarHBondContact O-N 3.2Å; C308-I417 HydrophobicContact CB-CG2 4.17Å; C308-I417 WeakPolarHBondContact SG-CB 3.36Å; C308-I417 VanDerWaalsContact SG-CG2 3.54Å |
| 309 | K | 82.9 | Confident | 86.2 | Confident | 170 Ų | 170 | 33.9 Ų | 33.9 | 74% | 0.739 | 18% | 0.184 | S | C | * | . | P | Polyproline II helix | trans | -82.2 | 121.1 | 173.4 | -176.5 | 176.9 | 178.6 | -179.8 | 0 | 109.9 | P311 | K309-P311 WeakPolarHBondContact O-CD 3.41Š|
| 310 | R | 88.9 | Confident | 86.9 | Confident | 48 Ų | 48 | 37.1 Ų | 37.1 | 18% | 0.181 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 124.4 | 174.1 | -162.2 | -167 | -172.5 | -154.3 | 6.1 | 110.9 | D297 G299 P300 Y304 R316 E357 | D297-R310 IonicContact OD1-CZ 3.8Å; D297-R310 IonicContact OD1-NH1 2.73Å; D297-R310 PolarHBondContact OD1-NH1 3.01Å; D297-R310 IonicContact OD1-NH2 3.48Å; D297-R310 IonicContact OD2-NH1 3.9Å; D297-R310 PolarHBondContact OD2-NH1 2.94Å; G299-R310 VanDerWaalsContact C-NH1 3.26Å; G299-R310 PolarHBondContact O-NH1 3.3Å; G299-R310 VanDerWaalsContact O-NH1 3.07Å; G299-R310 PolarHBondContact O-NH2 2.72Å; P300-R310 HydrophobicContact CB-CG 4.49Å; Y304-R310 HydrophobicContact CE1-CB 4.26Å; Y304-R310 HydrophobicContact CE2-CG 4.16Å; Y304-R310 WeakPolarHBondContact OH-CA 3.38Å; R310-R316 VanDerWaalsContact CZ-NH2 3.31Å; R310-R316 VanDerWaalsContact NH1-NH1 3.2Å; R310-R316 VanDerWaalsContact NH2-NH2 3.15Å; R310-E357 WeakPolarHBondContact CG-OE1 3.11Å; R310-E357 IonicContact CZ-OE1 3.92Å; R310-E357 IonicContact CZ-OE2 2.66Å; R310-E357 IonicContact NE-OE1 3.42Å; R310-E357 PolarHBondContact NE-OE1 2.67Å; R310-E357 IonicContact NE-OE2 3.71Å; R310-E357 IonicContact NH2-OE1 3.86Å; R310-E357 IonicContact NH2-OE2 2.85Å; R310-E357 PolarHBondContact NH2-OE2 2.87Å |
| 311 | P | 92 | Very high | 87.5 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 13% | 0.13 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 148.9 | 171.2 | -21.4 | 32.7 | 0 | 0 | 0 | 111.2 | Y304 K309 C315 R316 H355 | Y304-P311 WeakPolarHBondContact OH-CD 3.5Å; K309-P311 WeakPolarHBondContact O-CD 3.41Å; P311-C315 HydrophobicContact CB-CB 3.97Å; P311-R316 HydrophobicContact CB-CG 4.08Å; P311-R316 PolarHBondContact O-NH1 2.99Å; P311-H355 WeakPolarHBondContact CG-NE2 3.46Å |
| 312 | I | 93.8 | Very high | 88.2 | Confident | 40 Ų | 40 | 37.2 Ų | 37.2 | 21% | 0.205 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 160.5 | 174.9 | 60.4 | 170.1 | 0 | 0 | 0 | 111.4 | H276 L280 G314 C315 R316 | H276-I312 VanDerWaalsContact O-CD1 3.3Å; H276-I312 WeakPolarHBondContact O-CD1 3.08Å; L280-I312 HydrophobicContact CB-CD1 4.41Å; L280-I312 HydrophobicContact CD2-CD1 3.74Å; L280-I312 HydrophobicContact CG-CD1 3.7Å; L280-I312 VanDerWaalsContact N-CD1 3.33Å; I312-G314 VanDerWaalsContact C-N 3.3Å; I312-G314 PolarHBondContact O-N 2.94Å; I312-C315 HydrophobicContact CG1-CB 4.19Å; I312-C315 VanDerWaalsContact CG1-SG 3.57Å; I312-C315 WeakPolarHBondContact O-CB 3.27Å; I312-C315 PolarHBondContact O-N 3.04Å; I312-C315 VanDerWaalsContact O-N 3.1Å; I312-R316 PolarHBondContact O-N 2.59Å |
| 313 | L | 95.2 | Very high | 89.2 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.089 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.8 | -43.5 | -171.7 | 175.8 | 64.7 | 0 | 0 | 0 | 112.3 | E283 L290 K293 L294 C315 R316 E317 | E283-L313 WeakPolarHBondContact OE1-CA 3.4Å; E283-L313 WeakPolarHBondContact OE1-CB 3.42Å; E283-L313 PolarHBondContact OE1-N 3.48Å; L290-L313 HydrophobicContact CB-CD2 4.39Å; K293-L313 HydrophobicContact CB-CD1 4.14Å; K293-L313 HydrophobicContact CB-CD2 3.66Å; K293-L313 HydrophobicContact CD-CD1 4.07Å; L294-L313 HydrophobicContact CD2-CD2 3.65Å; L294-L313 HydrophobicContact CG-CD2 3.77Å; L313-C315 VanDerWaalsContact C-N 3.33Å; L313-C315 PolarHBondContact O-N 3.26Å; L313-R316 PolarHBondContact O-N 2.95Å; L313-R316 VanDerWaalsContact O-N 3.13Å; L313-E317 PolarHBondContact O-N 2.96Å |
| 314 | G | 96.5 | Very high | 90 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.6 | -39.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E283 I312 E317 L318 | E283-G314 PolarHBondContact OE1-N 2.79Å; I312-G314 VanDerWaalsContact C-N 3.3Å; I312-G314 PolarHBondContact O-N 2.94Å; G314-E317 PolarHBondContact O-N 3.37Å; G314-L318 WeakPolarHBondContact O-CB 3.47Å; G314-L318 WeakPolarHBondContact O-CD1 3.42Å; G314-L318 WeakPolarHBondContact O-CG 3.46Å; G314-L318 PolarHBondContact O-N 3.48Å |
| 315 | C | 96.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 174 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | W275 P311 I312 L313 L318 V319 | W275-C315 HydrophobicContact CD2-CB 4.43Å; W275-C315 HydrophobicContact CZ2-CB 3.71Å; W275-C315 WeakPolarHBondContact CZ2-O 3.49Å; W275-C315 PolarHBondContact O-SG 3.37Å; P311-C315 HydrophobicContact CB-CB 3.97Å; I312-C315 HydrophobicContact CG1-CB 4.19Å; I312-C315 VanDerWaalsContact CG1-SG 3.57Å; I312-C315 WeakPolarHBondContact O-CB 3.27Å; I312-C315 PolarHBondContact O-N 3.04Å; I312-C315 VanDerWaalsContact O-N 3.1Å; L313-C315 VanDerWaalsContact C-N 3.33Å; L313-C315 PolarHBondContact O-N 3.26Å; C315-L318 PolarHBondContact O-N 3.31Å; C315-V319 PolarHBondContact O-N 3.33Å |
| 316 | R | 95.9 | Very high | 91.2 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 10% | 0.098 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 179.5 | -60.7 | -168.2 | -52.9 | -108.2 | 8.7 | 111.4 | R310 P311 I312 L313 L318 V319 Y320 H355 E357 | R310-R316 VanDerWaalsContact CZ-NH2 3.31Å; R310-R316 VanDerWaalsContact NH1-NH1 3.2Å; R310-R316 VanDerWaalsContact NH2-NH2 3.15Å; P311-R316 HydrophobicContact CB-CG 4.08Å; P311-R316 PolarHBondContact O-NH1 2.99Å; I312-R316 PolarHBondContact O-N 2.59Å; L313-R316 PolarHBondContact O-N 2.95Å; L313-R316 VanDerWaalsContact O-N 3.13Å; R316-L318 PolarHBondContact O-N 3.27Å; R316-V319 PolarHBondContact O-N 2.94Å; R316-Y320 WeakPolarHBondContact O-CB 3.22Å; R316-Y320 PolarHBondContact O-N 3.3Å; R316-H355 WeakPolarHBondContact CB-O 3.46Å; R316-H355 WeakPolarHBondContact CG-O 3.27Å; R316-E357 WeakPolarHBondContact CD-OE1 3.4Å; R316-E357 IonicContact NE-OE1 3.1Å; R316-E357 IonicContact NE-OE2 3.6Å |
| 317 | E | 95.9 | Very high | 92.2 | Very high | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 179.2 | -174.3 | 66 | -154.6 | 0 | 0 | 112.1 | F282 L290 K293 L313 G314 V319 Y320 R321 | F282-E317 HydrophobicContact CE1-CB 3.79Å; F282-E317 HydrophobicContact CE1-CG 3.57Å; F282-E317 HydrophobicContact CZ-CB 4.49Å; F282-E317 HydrophobicContact CZ-CG 3.91Å; L290-E317 HydrophobicContact CD2-CG 4.05Å; K293-E317 IonicContact NZ-OE2 3.61Å; K293-E317 PolarHBondContact NZ-OE2 3.24Å; L313-E317 PolarHBondContact O-N 2.96Å; G314-E317 PolarHBondContact O-N 3.37Å; E317-V319 VanDerWaalsContact C-N 3.32Å; E317-V319 PolarHBondContact O-N 3.43Å; E317-Y320 WeakPolarHBondContact O-CB 3.3Å; E317-Y320 PolarHBondContact O-N 3.19Å; E317-R321 WeakPolarHBondContact O-CG 3.22Å; E317-R321 PolarHBondContact O-N 2.9Å; E317-R321 IonicContact OE1-CZ 3.36Å; E317-R321 IonicContact OE1-NE 3.74Å; E317-R321 PolarHBondContact OE1-NE 3.07Å; E317-R321 IonicContact OE1-NH2 3.53Å |
| 318 | L | 97 | Very high | 93.3 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.9 | -73.2 | 167.6 | 0 | 0 | 0 | 112.2 | Q249 W275 I278 F282 G314 C315 R316 S322 | Q249-L318 HydrophobicContact CG-CD2 4.21Å; Q249-L318 PolarHBondContact NE2-O 3.42Å; Q249-L318 VanDerWaalsContact NE2-O 3.09Å; W275-L318 HydrophobicContact CH2-CB 3.72Å; W275-L318 HydrophobicContact CH2-CD1 3.75Å; W275-L318 HydrophobicContact CH2-CG 4.41Å; W275-L318 HydrophobicContact CZ2-CB 4.49Å; W275-L318 HydrophobicContact CZ3-CD1 3.87Å; I278-L318 HydrophobicContact CG2-CD1 3.7Å; F282-L318 HydrophobicContact CB-CD1 4.04Å; F282-L318 HydrophobicContact CB-CD2 4.43Å; F282-L318 HydrophobicContact CB-CG 4.3Å; F282-L318 HydrophobicContact CD1-CG 4.23Å; F282-L318 HydrophobicContact CD2-CD1 4.47Å; F282-L318 HydrophobicContact CD2-CD2 3.4Å; F282-L318 VanDerWaalsContact CD2-CD2 3.4Å; F282-L318 HydrophobicContact CD2-CG 3.95Å; F282-L318 HydrophobicContact CE2-CD2 3.65Å; F282-L318 HydrophobicContact CE2-CG 4.31Å; F282-L318 HydrophobicContact CG-CD1 4.17Å; F282-L318 HydrophobicContact CG-CD2 3.87Å; F282-L318 HydrophobicContact CG-CG 3.88Å; F282-L318 HydrophobicContact CZ-CD2 4.31Å; G314-L318 WeakPolarHBondContact O-CB 3.47Å; G314-L318 WeakPolarHBondContact O-CD1 3.42Å; G314-L318 WeakPolarHBondContact O-CG 3.46Å; G314-L318 PolarHBondContact O-N 3.48Å; C315-L318 PolarHBondContact O-N 3.31Å; R316-L318 PolarHBondContact O-N 3.27Å; L318-S322 PolarHBondContact O-N 2.82Å; L318-S322 PolarHBondContact O-OG 2.84Å |
| 319 | V | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.8 | -46.2 | 174 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | L253 W275 C315 R316 E317 R321 S322 A323 L352 H355 L356 | L253-V319 HydrophobicContact CD2-CG2 4.04Å; W275-V319 HydrophobicContact CH2-CG2 4.45Å; W275-V319 HydrophobicContact CZ2-CG2 3.89Å; C315-V319 PolarHBondContact O-N 3.33Å; R316-V319 PolarHBondContact O-N 2.94Å; E317-V319 VanDerWaalsContact C-N 3.32Å; E317-V319 PolarHBondContact O-N 3.43Å; V319-R321 VanDerWaalsContact C-N 3.33Å; V319-R321 PolarHBondContact O-N 3.34Å; V319-S322 CarbonylContact O-C 3.57Å; V319-S322 PolarHBondContact O-N 3.19Å; V319-A323 WeakPolarHBondContact O-CB 3.42Å; V319-A323 PolarHBondContact O-N 3.1Å; V319-L352 HydrophobicContact CG1-CD2 3.79Å; V319-L352 HydrophobicContact CG2-CD2 4.36Å; V319-H355 HydrophobicContact CB-CB 3.91Å; V319-H355 HydrophobicContact CG1-CB 3.83Å; V319-H355 HydrophobicContact CG2-CB 3.88Å; V319-L356 HydrophobicContact CG1-CD2 3.99Å; V319-L356 HydrophobicContact CG1-CG 4.02Å |
| 320 | Y | 96 | Very high | 94.7 | Very high | 89 Ų | 89 | 33.7 Ų | 33.7 | 35% | 0.349 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -51.9 | -48.7 | 177 | 174.8 | -100.1 | 0 | 0 | 0 | 112.5 | R316 E317 S322 L356 | R316-Y320 WeakPolarHBondContact O-CB 3.22Å; R316-Y320 PolarHBondContact O-N 3.3Å; E317-Y320 WeakPolarHBondContact O-CB 3.3Å; E317-Y320 PolarHBondContact O-N 3.19Å; Y320-S322 PolarHBondContact O-N 3.29Å; Y320-L356 HydrophobicContact CD2-CD2 4.31Å |
| 321 | R | 94.3 | Very high | 95 | Very high | 100 Ų | 100 | 32.2 Ų | 32.2 | 38% | 0.377 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66 | -19.9 | 178.6 | -68.4 | 179.4 | -178.4 | -163.6 | -1.4 | 114 | E317 V319 | E317-R321 WeakPolarHBondContact O-CG 3.22Å; E317-R321 PolarHBondContact O-N 2.9Å; E317-R321 IonicContact OE1-CZ 3.36Å; E317-R321 IonicContact OE1-NE 3.74Å; E317-R321 PolarHBondContact OE1-NE 3.07Å; E317-R321 IonicContact OE1-NH2 3.53Å; V319-R321 VanDerWaalsContact C-N 3.33Å; V319-R321 PolarHBondContact O-N 3.34Å |
| 322 | S | 94.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -104.4 | -22.4 | -175.4 | -54 | 0 | 0 | 0 | 0 | 113.5 | Q249 L318 V319 Y320 S324 K325 L326 | Q249-S322 PolarHBondContact NE2-OG 3.01Å; L318-S322 PolarHBondContact O-N 2.82Å; L318-S322 PolarHBondContact O-OG 2.84Å; V319-S322 CarbonylContact O-C 3.57Å; V319-S322 PolarHBondContact O-N 3.19Å; Y320-S322 PolarHBondContact O-N 3.29Å; S322-S324 VanDerWaalsContact C-N 3.33Å; S322-S324 PolarHBondContact O-N 3.08Å; S322-K325 PolarHBondContact O-N 3.13Å; S322-L326 WeakPolarHBondContact O-CG 3.36Å; S322-L326 PolarHBondContact O-N 2.78Å; S322-L326 VanDerWaalsContact O-N 3.15Å |
| 323 | A | 94.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.8 | -38.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V319 K325 L326 F327 L356 H363 | V319-A323 WeakPolarHBondContact O-CB 3.42Å; V319-A323 PolarHBondContact O-N 3.1Å; A323-K325 PolarHBondContact O-N 2.9Å; A323-L326 PolarHBondContact O-N 2.92Å; A323-L326 VanDerWaalsContact O-N 3.11Å; A323-F327 HydrophobicContact CB-CD2 4.15Å; A323-F327 HydrophobicContact CB-CE2 3.89Å; A323-F327 WeakPolarHBondContact O-CD2 3.43Å; A323-F327 PolarHBondContact O-N 3.06Å; A323-L356 HydrophobicContact CB-CD1 3.84Å; A323-L356 HydrophobicContact CB-CD2 3.94Å; A323-L356 HydrophobicContact CB-CG 4.45Å; A323-H363 WeakPolarHBondContact CB-NE2 3.26Å |
| 324 | S | 94.5 | Very high | 95.3 | Very high | 74 Ų | 74 | 39.2 Ų | 39.2 | 52% | 0.517 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.9 | -26.9 | 177.8 | 59.4 | 0 | 0 | 0 | 0 | 114 | S322 P328 H363 | S322-S324 VanDerWaalsContact C-N 3.33Å; S322-S324 PolarHBondContact O-N 3.08Å; S324-P328 WeakPolarHBondContact O-CD 3.4Å; S324-P328 WeakPolarHBondContact O-CG 3.47Å; S324-H363 PolarHBondContact N-CE1 3.11Å |
| 325 | K | 92.8 | Very high | 95.2 | Very high | 145 Ų | 145 | 42.4 Ų | 42.4 | 63% | 0.63 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -93.4 | -28.4 | 175.7 | -64.2 | 176.8 | -178.5 | 173.8 | 0 | 112.4 | T250 S322 A323 | T250-K325 HydrophobicContact CG2-CB 3.59Å; T250-K325 HydrophobicContact CG2-CD 3.66Å; T250-K325 HydrophobicContact CG2-CG 4.22Å; S322-K325 PolarHBondContact O-N 3.13Å; A323-K325 PolarHBondContact O-N 2.9Å |
| 326 | L | 94.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -77.4 | -48 | -176.4 | -65.9 | -174.5 | 0 | 0 | 0 | 113 | T250 L253 P254 S322 A323 G329 L330 L352 | T250-L326 HydrophobicContact CG2-CD2 4.17Å; T250-L326 HydrophobicContact CG2-CG 4.49Å; T250-L326 WeakPolarHBondContact O-CD2 3.25Å; L253-L326 HydrophobicContact CD2-CD1 4.19Å; P254-L326 HydrophobicContact CG-CD1 4.38Å; P254-L326 HydrophobicContact CG-CD2 3.31Å; P254-L326 HydrophobicContact CG-CG 4.46Å; S322-L326 WeakPolarHBondContact O-CG 3.36Å; S322-L326 PolarHBondContact O-N 2.78Å; S322-L326 VanDerWaalsContact O-N 3.15Å; A323-L326 PolarHBondContact O-N 2.92Å; A323-L326 VanDerWaalsContact O-N 3.11Å; L326-G329 PolarHBondContact O-N 2.98Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 3.31Å; L326-L352 HydrophobicContact CB-CD1 4.33Å; L326-L352 HydrophobicContact CD1-CD1 4.29Å; L326-L352 HydrophobicContact CD1-CD2 4.13Å |
| 327 | F | 94.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | -173.9 | -72.4 | -52.7 | 0 | 0 | 0 | 114.2 | A323 G329 L330 C331 L352 I353 L356 H363 L367 | A323-F327 HydrophobicContact CB-CD2 4.15Å; A323-F327 HydrophobicContact CB-CE2 3.89Å; A323-F327 WeakPolarHBondContact O-CD2 3.43Å; A323-F327 PolarHBondContact O-N 3.06Å; F327-G329 VanDerWaalsContact C-N 3.31Å; F327-G329 PolarHBondContact O-N 3.02Å; F327-L330 PolarHBondContact O-N 3.08Å; F327-C331 VanDerWaalsContact O-CB 3.31Å; F327-C331 WeakPolarHBondContact O-CB 3.4Å; F327-C331 PolarHBondContact O-N 3.1Å; F327-C331 PolarHBondContact O-SG 2.77Å; F327-L352 HydrophobicContact CD1-CD1 4.4Å; F327-L352 HydrophobicContact CE1-CB 3.8Å; F327-L352 HydrophobicContact CE1-CD1 3.97Å; F327-L352 HydrophobicContact CZ-CB 3.9Å; F327-I353 HydrophobicContact CE1-CG1 4.48Å; F327-I353 HydrophobicContact CZ-CG1 4.34Å; F327-L356 HydrophobicContact CE2-CD1 3.37Å; F327-L356 HydrophobicContact CZ-CD1 3.53Å; F327-H363 HydrophobicContact CD2-CB 3.78Å; F327-H363 AromaticContact CD2-CD2 3.92Å; F327-H363 AromaticContact CD2-CG 3.58Å; F327-H363 AromaticContact CD2-ND1 3.92Å; F327-H363 HydrophobicContact CE2-CB 3.84Å; F327-H363 AromaticContact CE2-CD2 3.65Å; F327-H363 AromaticContact CE2-CG 3.69Å; F327-L367 HydrophobicContact CD1-CD2 3.58Å; F327-L367 HydrophobicContact CD2-CD2 4.49Å; F327-L367 HydrophobicContact CE1-CD2 3.56Å; F327-L367 HydrophobicContact CE2-CD1 4.38Å; F327-L367 HydrophobicContact CE2-CD2 4.42Å; F327-L367 HydrophobicContact CG-CD2 4.08Å; F327-L367 HydrophobicContact CZ-CD1 4.26Å; F327-L367 HydrophobicContact CZ-CD2 3.99Å |
| 328 | P | 93.7 | Very high | 94.7 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 177 | -25.1 | 35.4 | 0 | 0 | 0 | 113.9 | S324 K332 H366 | S324-P328 WeakPolarHBondContact O-CD 3.4Å; S324-P328 WeakPolarHBondContact O-CG 3.47Å; P328-K332 WeakPolarHBondContact O-CB 3.47Å; P328-K332 PolarHBondContact O-N 2.71Å; P328-H366 VanDerWaalsContact CA-NE2 3.31Å; P328-H366 WeakPolarHBondContact CA-NE2 3.38Å |
| 329 | G | 92.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.3 | -53.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L326 F327 C331 K332 D333 | L326-G329 PolarHBondContact O-N 2.98Å; F327-G329 VanDerWaalsContact C-N 3.31Å; F327-G329 PolarHBondContact O-N 3.02Å; G329-C331 PolarHBondContact O-N 3.45Å; G329-K332 WeakPolarHBondContact O-CB 3.49Å; G329-K332 PolarHBondContact O-N 2.71Å; G329-K332 VanDerWaalsContact O-N 3.14Å; G329-D333 VanDerWaalsContact O-CG 3.27Å; G329-D333 PolarHBondContact O-N 3.19Å |
| 330 | L | 96.2 | Very high | 94.2 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | -178.4 | -66.6 | 171.5 | 0 | 0 | 0 | 112.8 | L326 F327 K332 D333 L334 A345 L348 I349 L352 | L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 3.31Å; F327-L330 PolarHBondContact O-N 3.08Å; L330-K332 VanDerWaalsContact C-N 3.31Å; L330-K332 PolarHBondContact O-N 3.38Å; L330-D333 PolarHBondContact O-N 2.81Å; L330-L334 PolarHBondContact O-N 2.55Å; L330-A345 HydrophobicContact CD2-CB 4.25Å; L330-L348 HydrophobicContact CD1-CB 4.34Å; L330-L348 HydrophobicContact CD2-CB 4.32Å; L330-L348 HydrophobicContact CD2-CD1 4.01Å; L330-I349 HydrophobicContact CB-CG1 4.25Å; L330-I349 HydrophobicContact CD1-CG1 4.48Å; L330-L352 HydrophobicContact CD1-CD1 3.28Å |
| 331 | C | 96.5 | Very high | 94.1 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67 | -33.5 | 178.4 | -66 | 0 | 0 | 0 | 0 | 111.9 | F327 G329 | F327-C331 VanDerWaalsContact O-CB 3.31Å; F327-C331 WeakPolarHBondContact O-CB 3.4Å; F327-C331 PolarHBondContact O-N 3.1Å; F327-C331 PolarHBondContact O-SG 2.77Å; G329-C331 PolarHBondContact O-N 3.45Å |
| 332 | K | 94.7 | Very high | 94.1 | Very high | 165 Ų | 165 | 54.3 Ų | 54.3 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.7 | -40.3 | 173.4 | -176.6 | -177.4 | 175.3 | -174.3 | 0 | 111.4 | P328 G329 L330 L334 S335 | P328-K332 WeakPolarHBondContact O-CB 3.47Å; P328-K332 PolarHBondContact O-N 2.71Å; G329-K332 WeakPolarHBondContact O-CB 3.49Å; G329-K332 PolarHBondContact O-N 2.71Å; G329-K332 VanDerWaalsContact O-N 3.14Å; L330-K332 VanDerWaalsContact C-N 3.31Å; L330-K332 PolarHBondContact O-N 3.38Å; K332-L334 PolarHBondContact O-N 2.74Å; K332-S335 PolarHBondContact O-N 3.16Å |
| 333 | D | 96.1 | Very high | 94.1 | Very high | 59 Ų | 59 | 55.7 Ų | 55.7 | 32% | 0.316 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.3 | -16.7 | -178.8 | -69 | -10.4 | 0 | 0 | 0 | 113.1 | G329 L330 S335 D336 T341 R342 A345 | G329-D333 VanDerWaalsContact O-CG 3.27Å; G329-D333 PolarHBondContact O-N 3.19Å; L330-D333 PolarHBondContact O-N 2.81Å; D333-S335 PolarHBondContact O-N 2.96Å; D333-D336 WeakPolarHBondContact O-CB 3.46Å; D333-D336 PolarHBondContact O-N 3.42Å; D333-D336 VanDerWaalsContact O-N 3.12Å; D333-T341 HydrophobicContact CB-CG2 4.08Å; D333-R342 WeakPolarHBondContact O-CG 3.13Å; D333-A345 HydrophobicContact CB-CB 3.72Å |
| 334 | L | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.1 | 172.4 | -66 | 176.2 | 0 | 0 | 0 | 113.4 | L330 K332 R342 A345 A346 I349 G370 L445 | L330-L334 PolarHBondContact O-N 2.55Å; K332-L334 PolarHBondContact O-N 2.74Å; L334-R342 VanDerWaalsContact O-CD 3.26Å; L334-R342 WeakPolarHBondContact O-CD 3.25Å; L334-A345 HydrophobicContact CD2-CB 4.12Å; L334-A346 HydrophobicContact CD2-CB 3.75Å; L334-I349 HydrophobicContact CD1-CD1 3.91Å; L334-I349 HydrophobicContact CD2-CD1 4.14Å; L334-I349 HydrophobicContact CG-CD1 4.29Å; L334-G370 WeakPolarHBondContact CD1-O 3.45Å; L334-L445 HydrophobicContact CD1-CD1 4.37Å; L334-L445 HydrophobicContact CD1-CD2 3.99Å; L334-L445 HydrophobicContact CD2-CD1 4.43Å; L334-L445 HydrophobicContact CD2-CD2 3.97Å |
| 335 | S | 92.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 53.9 Ų | 53.9 | 48% | 0.476 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 18.8 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | K332 D333 | K332-S335 PolarHBondContact O-N 3.16Å; D333-S335 PolarHBondContact O-N 2.96Å |
| 336 | D | 94.4 | Very high | 94.2 | Very high | 42 Ų | 42 | 47 Ų | 47 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | trans | -66.7 | 152.3 | 174.7 | -169.8 | -99.5 | 0 | 0 | 0 | 111.4 | D333 Q338 T341 R342 | D333-D336 WeakPolarHBondContact O-CB 3.46Å; D333-D336 PolarHBondContact O-N 3.42Å; D333-D336 VanDerWaalsContact O-N 3.12Å; D336-Q338 VanDerWaalsContact C-N 3.28Å; D336-Q338 PolarHBondContact O-N 2.79Å; D336-Q338 VanDerWaalsContact OD1-CB 3.29Å; D336-Q338 WeakPolarHBondContact OD1-CB 3.18Å; D336-Q338 PolarHBondContact OD1-N 3.29Å; D336-T341 HydrophobicContact CB-CG2 3.85Å; D336-R342 HydrophobicContact CB-CG 4.28Å; D336-R342 WeakPolarHBondContact O-CD 3.42Å; D336-R342 VanDerWaalsContact O-CG 3.3Å; D336-R342 WeakPolarHBondContact O-CG 3.49Å; D336-R342 PolarHBondContact O-NH1 2.92Å | ||
| 337 | W | 92.2 | Very high | 94.2 | Very high | 204 Ų | 204 | 46.4 Ų | 46.4 | 77% | 0.773 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -71.2 | -23 | -179.7 | 66.2 | -80.9 | 0 | 0 | 0 | 112.9 | R342 | W337-R342 VanDerWaalsContact C-NH1 3.3Å; W337-R342 PolarHBondContact O-NH1 3.19Å |
| 338 | Q | 93.1 | Very high | 94.3 | Very high | 88 Ų | 88 | 46.7 Ų | 46.7 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | trans | -86.7 | 122.3 | 179.3 | -57.8 | -175.3 | -25.2 | 0 | 0 | 112 | D336 A340 T341 R342 | D336-Q338 VanDerWaalsContact C-N 3.28Å; D336-Q338 PolarHBondContact O-N 2.79Å; D336-Q338 VanDerWaalsContact OD1-CB 3.29Å; D336-Q338 WeakPolarHBondContact OD1-CB 3.18Å; D336-Q338 PolarHBondContact OD1-N 3.29Å; Q338-A340 VanDerWaalsContact C-N 3.31Å; Q338-A340 PolarHBondContact O-N 2.63Å; Q338-T341 PolarHBondContact O-N 3.26Å; Q338-T341 VanDerWaalsContact O-N 3.15Å; Q338-T341 PolarHBondContact OE1-OG1 3.29Å; Q338-R342 PolarHBondContact O-N 3.45Å | ||
| 339 | E | 91.2 | Very high | 94.4 | Very high | 70 Ų | 70 | 43.9 Ų | 43.9 | 33% | 0.327 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -49.7 | -47.1 | 175.5 | -75 | 179.6 | -173.9 | 0 | 0 | 113.2 | T341 R342 L343 S433 E437 | E339-T341 VanDerWaalsContact C-N 3.32Å; E339-T341 PolarHBondContact O-N 2.89Å; E339-R342 VanDerWaalsContact CG-NH2 3.33Å; E339-R342 PolarHBondContact O-N 3.32Å; E339-L343 PolarHBondContact O-N 3.15Å; E339-L343 VanDerWaalsContact O-N 3.08Å; E339-S433 PolarHBondContact OE2-OG 3.11Å; E339-E437 HydrophobicContact CB-CG 3.91Å; E339-E437 HydrophobicContact CG-CB 4.3Å; E339-E437 HydrophobicContact CG-CG 3.97Å |
| 340 | A | 90.8 | Very high | 94.4 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 41% | 0.405 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.1 | -33 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | F221 Q338 K344 | F221-A340 HydrophobicContact CD1-CB 3.86Å; F221-A340 HydrophobicContact CE1-CB 3.69Å; Q338-A340 VanDerWaalsContact C-N 3.31Å; Q338-A340 PolarHBondContact O-N 2.63Å; A340-K344 WeakPolarHBondContact O-CB 3.43Å; A340-K344 VanDerWaalsContact O-CG 3.31Å; A340-K344 WeakPolarHBondContact O-CG 3.41Å; A340-K344 PolarHBondContact O-N 3.34Å; A340-K344 VanDerWaalsContact O-N 3.08Å |
| 341 | T | 94.4 | Very high | 94.3 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.1 | -48.4 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | D333 D336 Q338 E339 L343 K344 A345 | D333-T341 HydrophobicContact CB-CG2 4.08Å; D336-T341 HydrophobicContact CB-CG2 3.85Å; Q338-T341 PolarHBondContact O-N 3.26Å; Q338-T341 VanDerWaalsContact O-N 3.15Å; Q338-T341 PolarHBondContact OE1-OG1 3.29Å; E339-T341 VanDerWaalsContact C-N 3.32Å; E339-T341 PolarHBondContact O-N 2.89Å; T341-L343 VanDerWaalsContact C-N 3.35Å; T341-L343 PolarHBondContact O-N 2.99Å; T341-K344 PolarHBondContact O-N 3.17Å; T341-A345 WeakPolarHBondContact O-CB 3.35Å; T341-A345 PolarHBondContact O-N 2.86Å |
| 342 | R | 95.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 4% | 0.038 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 176.6 | -64.5 | -167.1 | -62.1 | -93 | 10.2 | 112 | D333 L334 D336 W337 Q338 E339 A345 A346 E437 V441 | D333-R342 WeakPolarHBondContact O-CG 3.13Å; L334-R342 VanDerWaalsContact O-CD 3.26Å; L334-R342 WeakPolarHBondContact O-CD 3.25Å; D336-R342 HydrophobicContact CB-CG 4.28Å; D336-R342 WeakPolarHBondContact O-CD 3.42Å; D336-R342 VanDerWaalsContact O-CG 3.3Å; D336-R342 WeakPolarHBondContact O-CG 3.49Å; D336-R342 PolarHBondContact O-NH1 2.92Å; W337-R342 VanDerWaalsContact C-NH1 3.3Å; W337-R342 PolarHBondContact O-NH1 3.19Å; Q338-R342 PolarHBondContact O-N 3.45Å; E339-R342 VanDerWaalsContact CG-NH2 3.33Å; E339-R342 PolarHBondContact O-N 3.32Å; R342-A345 PolarHBondContact O-N 2.88Å; R342-A346 WeakPolarHBondContact O-CB 3.37Å; R342-A346 PolarHBondContact O-N 3.02Å; R342-E437 WeakPolarHBondContact CB-OE1 3.37Å; R342-E437 IonicContact CZ-OE1 3.37Å; R342-E437 IonicContact CZ-OE2 3.01Å; R342-E437 IonicContact NE-OE1 2.83Å; R342-E437 PolarHBondContact NE-OE1 3.37Å; R342-E437 IonicContact NE-OE2 3.51Å; R342-E437 PolarHBondContact NE-OE2 2.57Å; R342-E437 IonicContact NH2-OE1 3.17Å; R342-E437 PolarHBondContact NH2-OE1 3.37Å; R342-E437 IonicContact NH2-OE2 3.3Å; R342-E437 PolarHBondContact NH2-OE2 2.92Å; R342-V441 HydrophobicContact CB-CG2 4.38Å |
| 343 | L | 92.9 | Very high | 94.2 | Very high | 29 Ų | 29 | 33.3 Ų | 33.3 | 15% | 0.152 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 179.9 | -175.7 | 60.9 | 0 | 0 | 0 | 112 | E339 T341 A345 A346 S347 A425 K440 V441 Q444 | E339-L343 PolarHBondContact O-N 3.15Å; E339-L343 VanDerWaalsContact O-N 3.08Å; T341-L343 VanDerWaalsContact C-N 3.35Å; T341-L343 PolarHBondContact O-N 2.99Å; L343-A345 VanDerWaalsContact C-N 3.33Å; L343-A345 PolarHBondContact O-N 3.26Å; L343-A346 PolarHBondContact O-N 3.29Å; L343-S347 WeakPolarHBondContact O-CB 3.26Å; L343-S347 PolarHBondContact O-N 3.36Å; L343-S347 PolarHBondContact O-OG 3.43Å; L343-A425 HydrophobicContact CD1-CB 4.34Å; L343-A425 HydrophobicContact CD2-CB 4.48Å; L343-K440 HydrophobicContact CD1-CB 3.73Å; L343-K440 HydrophobicContact CD2-CD 4.32Å; L343-V441 HydrophobicContact CD1-CG2 4.45Å; L343-Q444 HydrophobicContact CD1-CG 4.38Å |
| 344 | K | 93.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 30.9 Ų | 30.9 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | 174.9 | -77.3 | -73.4 | -175.2 | -151.6 | 0 | 111.2 | F221 I261 A340 T341 S347 L348 | F221-K344 HydrophobicContact CE1-CG 3.74Å; F221-K344 HydrophobicContact CZ-CG 3.92Å; I261-K344 HydrophobicContact CD1-CB 4.49Å; I261-K344 HydrophobicContact CD1-CD 3.58Å; I261-K344 HydrophobicContact CG1-CD 4.1Å; I261-K344 PolarHBondContact O-NZ 3.05Å; I261-K344 VanDerWaalsContact O-NZ 3.13Å; A340-K344 WeakPolarHBondContact O-CB 3.43Å; A340-K344 VanDerWaalsContact O-CG 3.31Å; A340-K344 WeakPolarHBondContact O-CG 3.41Å; A340-K344 PolarHBondContact O-N 3.34Å; A340-K344 VanDerWaalsContact O-N 3.08Å; T341-K344 PolarHBondContact O-N 3.17Å; K344-S347 PolarHBondContact O-N 3.21Å; K344-L348 WeakPolarHBondContact O-CB 3.46Å; K344-L348 VanDerWaalsContact O-CG 3.31Å; K344-L348 WeakPolarHBondContact O-CG 3.26Å; K344-L348 PolarHBondContact O-N 2.81Å |
| 345 | A | 96 | Very high | 93.9 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.6 | -49.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L330 D333 L334 T341 R342 L343 S347 L348 I349 | L330-A345 HydrophobicContact CD2-CB 4.25Å; D333-A345 HydrophobicContact CB-CB 3.72Å; L334-A345 HydrophobicContact CD2-CB 4.12Å; T341-A345 WeakPolarHBondContact O-CB 3.35Å; T341-A345 PolarHBondContact O-N 2.86Å; R342-A345 PolarHBondContact O-N 2.88Å; L343-A345 VanDerWaalsContact C-N 3.33Å; L343-A345 PolarHBondContact O-N 3.26Å; A345-S347 VanDerWaalsContact C-N 3.33Å; A345-S347 PolarHBondContact O-N 2.72Å; A345-L348 PolarHBondContact O-N 3.29Å; A345-I349 WeakPolarHBondContact O-CG1 3.42Å; A345-I349 PolarHBondContact O-N 3.26Å |
| 346 | A | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.7 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L334 R342 L343 P350 V441 Q444 L445 | L334-A346 HydrophobicContact CD2-CB 3.75Å; R342-A346 WeakPolarHBondContact O-CB 3.37Å; R342-A346 PolarHBondContact O-N 3.02Å; L343-A346 PolarHBondContact O-N 3.29Å; A346-P350 WeakPolarHBondContact O-CD 3.25Å; A346-V441 HydrophobicContact CB-CG1 4.09Å; A346-V441 HydrophobicContact CB-CG2 4.39Å; A346-Q444 HydrophobicContact CB-CB 3.81Å; A346-Q444 HydrophobicContact CB-CG 4.42Å; A346-L445 HydrophobicContact CB-CD2 4.15Å; A346-L445 HydrophobicContact CB-CG 4.22Å |
| 347 | S | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.7 | -25.8 | 178.9 | -69.3 | 0 | 0 | 0 | 0 | 114.4 | L343 K344 A345 P350 Q444 | L343-S347 WeakPolarHBondContact O-CB 3.26Å; L343-S347 PolarHBondContact O-N 3.36Å; L343-S347 PolarHBondContact O-OG 3.43Å; K344-S347 PolarHBondContact O-N 3.21Å; A345-S347 VanDerWaalsContact C-N 3.33Å; A345-S347 PolarHBondContact O-N 2.72Å; S347-P350 WeakPolarHBondContact O-CD 3.44Å; S347-P350 WeakPolarHBondContact O-CG 3.5Å; S347-Q444 WeakPolarHBondContact OG-CG 3.35Å |
| 348 | L | 96 | Very high | 93.8 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -78.9 | -34.1 | 177.8 | -77.9 | 174.8 | 0 | 0 | 0 | 113 | L257 I261 L330 K344 A345 I351 L352 | L257-L348 HydrophobicContact CB-CD2 3.81Å; I261-L348 HydrophobicContact CD1-CD2 4.02Å; I261-L348 HydrophobicContact CD1-CG 3.81Å; I261-L348 HydrophobicContact CG1-CD2 4.46Å; L330-L348 HydrophobicContact CD1-CB 4.34Å; L330-L348 HydrophobicContact CD2-CB 4.32Å; L330-L348 HydrophobicContact CD2-CD1 4.01Å; K344-L348 WeakPolarHBondContact O-CB 3.46Å; K344-L348 VanDerWaalsContact O-CG 3.31Å; K344-L348 WeakPolarHBondContact O-CG 3.26Å; K344-L348 PolarHBondContact O-N 2.81Å; A345-L348 PolarHBondContact O-N 3.29Å; L348-I351 WeakPolarHBondContact O-CB 3.25Å; L348-I351 PolarHBondContact O-N 3.17Å; L348-L352 WeakPolarHBondContact O-CG 3.26Å; L348-L352 PolarHBondContact O-N 3.45Å |
| 349 | I | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -52.7 | -52.2 | -179.7 | -68.5 | 166.7 | 0 | 0 | 0 | 112.9 | L330 L334 A345 I351 L352 I353 L367 I371 L445 A448 | L330-I349 HydrophobicContact CB-CG1 4.25Å; L330-I349 HydrophobicContact CD1-CG1 4.48Å; L334-I349 HydrophobicContact CD1-CD1 3.91Å; L334-I349 HydrophobicContact CD2-CD1 4.14Å; L334-I349 HydrophobicContact CG-CD1 4.29Å; A345-I349 WeakPolarHBondContact O-CG1 3.42Å; A345-I349 PolarHBondContact O-N 3.26Å; I349-I351 VanDerWaalsContact C-N 3.28Å; I349-I351 PolarHBondContact O-N 2.95Å; I349-L352 PolarHBondContact O-N 2.95Å; I349-L352 VanDerWaalsContact O-N 3.16Å; I349-I353 HydrophobicContact CG2-CD1 3.64Å; I349-I353 HydrophobicContact CG2-CG1 4.3Å; I349-I353 VanDerWaalsContact O-CG1 3.32Å; I349-I353 WeakPolarHBondContact O-CG1 3.32Å; I349-I353 PolarHBondContact O-N 3.48Å; I349-L367 HydrophobicContact CG2-CD2 4.16Å; I349-I371 HydrophobicContact CG2-CD1 4.47Å; I349-L445 HydrophobicContact CD1-CD2 4.19Å; I349-A448 HydrophobicContact CG2-CB 3.79Å |
| 350 | P | 92.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.2 | -35.2 | -179.5 | 22.6 | -32.1 | 0 | 0 | 0 | 112.6 | A346 S347 I353 L354 V421 I447 A448 | A346-P350 WeakPolarHBondContact O-CD 3.25Å; S347-P350 WeakPolarHBondContact O-CD 3.44Å; S347-P350 WeakPolarHBondContact O-CG 3.5Å; P350-I353 PolarHBondContact O-N 3Å; P350-L354 WeakPolarHBondContact O-CB 3.36Å; P350-L354 PolarHBondContact O-N 3.33Å; P350-V421 HydrophobicContact CB-CG2 4.44Å; P350-V421 HydrophobicContact CG-CG2 3.88Å; P350-I447 HydrophobicContact CB-CG2 3.95Å; P350-I447 HydrophobicContact CG-CG2 4.48Å; P350-A448 HydrophobicContact CB-CB 4.19Å |
| 351 | I | 93 | Very high | 94 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.2 | -62.6 | 175.2 | 0 | 0 | 0 | 110.3 | F260 I261 L348 I349 L354 H355 | F260-I351 HydrophobicContact CB-CD1 3.86Å; I261-I351 HydrophobicContact CG2-CD1 3.4Å; I261-I351 VanDerWaalsContact CG2-CD1 3.4Å; L348-I351 WeakPolarHBondContact O-CB 3.25Å; L348-I351 PolarHBondContact O-N 3.17Å; I349-I351 VanDerWaalsContact C-N 3.28Å; I349-I351 PolarHBondContact O-N 2.95Å; I351-L354 PolarHBondContact O-N 3.23Å; I351-H355 PolarHBondContact O-N 3.47Å; I351-H355 VanDerWaalsContact O-N 3.14Å; I351-H355 PolarHBondContact O-ND1 2.7Å |
| 352 | L | 95.8 | Very high | 94 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 178.8 | -67.9 | 176.7 | 0 | 0 | 0 | 112.1 | L257 V319 L326 F327 L330 L348 I349 L354 H355 L356 | L257-L352 HydrophobicContact CD1-CD2 3.58Å; V319-L352 HydrophobicContact CG1-CD2 3.79Å; V319-L352 HydrophobicContact CG2-CD2 4.36Å; L326-L352 HydrophobicContact CB-CD1 4.33Å; L326-L352 HydrophobicContact CD1-CD1 4.29Å; L326-L352 HydrophobicContact CD1-CD2 4.13Å; F327-L352 HydrophobicContact CD1-CD1 4.4Å; F327-L352 HydrophobicContact CE1-CB 3.8Å; F327-L352 HydrophobicContact CE1-CD1 3.97Å; F327-L352 HydrophobicContact CZ-CB 3.9Å; L330-L352 HydrophobicContact CD1-CD1 3.28Å; L348-L352 WeakPolarHBondContact O-CG 3.26Å; L348-L352 PolarHBondContact O-N 3.45Å; I349-L352 PolarHBondContact O-N 2.95Å; I349-L352 VanDerWaalsContact O-N 3.16Å; L352-L354 VanDerWaalsContact C-N 3.29Å; L352-L354 PolarHBondContact O-N 2.83Å; L352-H355 PolarHBondContact O-N 2.95Å; L352-L356 WeakPolarHBondContact O-CG 3.34Å; L352-L356 PolarHBondContact O-N 2.8Å; L352-L356 VanDerWaalsContact O-N 3.07Å |
| 353 | I | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.9 | -61.8 | 167.3 | 0 | 0 | 0 | 110.1 | F327 I349 P350 H355 L356 E357 A360 L367 A448 V451 L452 | F327-I353 HydrophobicContact CE1-CG1 4.48Å; F327-I353 HydrophobicContact CZ-CG1 4.34Å; I349-I353 HydrophobicContact CG2-CD1 3.64Å; I349-I353 HydrophobicContact CG2-CG1 4.3Å; I349-I353 VanDerWaalsContact O-CG1 3.32Å; I349-I353 WeakPolarHBondContact O-CG1 3.32Å; I349-I353 PolarHBondContact O-N 3.48Å; P350-I353 PolarHBondContact O-N 3Å; I353-H355 VanDerWaalsContact C-N 3.31Å; I353-H355 PolarHBondContact O-N 3.32Å; I353-L356 PolarHBondContact O-N 3.45Å; I353-E357 PolarHBondContact O-N 3.05Å; I353-E357 VanDerWaalsContact O-N 3.09Å; I353-A360 HydrophobicContact CG2-CB 4.29Å; I353-L367 HydrophobicContact CD1-CD1 4.22Å; I353-L367 HydrophobicContact CD1-CD2 4.16Å; I353-L367 HydrophobicContact CG1-CD1 4.01Å; I353-L367 HydrophobicContact CG1-CD2 4.3Å; I353-A448 HydrophobicContact CD1-CB 4.17Å; I353-V451 HydrophobicContact CB-CG1 4.21Å; I353-V451 HydrophobicContact CG2-CB 4.36Å; I353-V451 HydrophobicContact CG2-CG1 3.79Å; I353-L452 HydrophobicContact CD1-CB 4.31Å; I353-L452 HydrophobicContact CG2-CB 4.33Å; I353-L452 HydrophobicContact CG2-CD1 4.08Å |
| 354 | L | 92.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 22.2 Ų | 22.2 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.6 | -37.2 | 176.7 | -171.7 | 79.2 | 0 | 0 | 0 | 113 | Y304 P305 P350 I351 L352 E357 I417 V451 M455 | Y304-L354 HydrophobicContact CE1-CD1 4.19Å; Y304-L354 HydrophobicContact CE2-CD1 4.04Å; Y304-L354 WeakPolarHBondContact OH-CD1 3.38Å; Y304-L354 VanDerWaalsContact OH-CG 3.31Å; Y304-L354 WeakPolarHBondContact OH-CG 3.28Å; P305-L354 HydrophobicContact CG-CD1 3.92Å; P350-L354 WeakPolarHBondContact O-CB 3.36Å; P350-L354 PolarHBondContact O-N 3.33Å; I351-L354 PolarHBondContact O-N 3.23Å; L352-L354 VanDerWaalsContact C-N 3.29Å; L352-L354 PolarHBondContact O-N 2.83Å; L354-E357 WeakPolarHBondContact O-CG 3.34Å; L354-I417 HydrophobicContact CD1-CD1 4.5Å; L354-I417 HydrophobicContact CD2-CG2 3.59Å; L354-V451 HydrophobicContact CB-CG1 4.28Å; L354-V451 HydrophobicContact CD1-CG1 4.28Å; L354-M455 HydrophobicContact CD1-CE 4.03Å |
| 355 | H | 94.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.032 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.4 | -30.6 | 177.2 | -78.4 | 74 | 0 | 0 | 0 | 112.9 | W275 P311 R316 V319 I351 L352 I353 | W275-H355 AromaticContact CD1-NE2 3.85Å; W275-H355 AromaticContact CE2-NE2 3.97Å; W275-H355 AromaticContact NE1-CD2 3.7Å; W275-H355 AromaticContact NE1-NE2 2.98Å; W275-H355 PolarHBondContact NE1-NE2 2.83Å; P311-H355 WeakPolarHBondContact CG-NE2 3.46Å; R316-H355 WeakPolarHBondContact CB-O 3.46Å; R316-H355 WeakPolarHBondContact CG-O 3.27Å; V319-H355 HydrophobicContact CB-CB 3.91Å; V319-H355 HydrophobicContact CG1-CB 3.83Å; V319-H355 HydrophobicContact CG2-CB 3.88Å; I351-H355 PolarHBondContact O-N 3.47Å; I351-H355 VanDerWaalsContact O-N 3.14Å; I351-H355 PolarHBondContact O-ND1 2.7Å; L352-H355 PolarHBondContact O-N 2.95Å; I353-H355 VanDerWaalsContact C-N 3.31Å; I353-H355 PolarHBondContact O-N 3.32Å |
| 356 | L | 94.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -79.6 | -26.7 | -179.2 | -70.8 | 173.5 | 0 | 0 | 0 | 113 | V319 Y320 A323 F327 L352 I353 E358 S359 A360 | V319-L356 HydrophobicContact CG1-CD2 3.99Å; V319-L356 HydrophobicContact CG1-CG 4.02Å; Y320-L356 HydrophobicContact CD2-CD2 4.31Å; A323-L356 HydrophobicContact CB-CD1 3.84Å; A323-L356 HydrophobicContact CB-CD2 3.94Å; A323-L356 HydrophobicContact CB-CG 4.45Å; F327-L356 HydrophobicContact CE2-CD1 3.37Å; F327-L356 HydrophobicContact CZ-CD1 3.53Å; L352-L356 WeakPolarHBondContact O-CG 3.34Å; L352-L356 PolarHBondContact O-N 2.8Å; L352-L356 VanDerWaalsContact O-N 3.07Å; I353-L356 PolarHBondContact O-N 3.45Å; L356-E358 PolarHBondContact O-N 3.35Å; L356-S359 WeakPolarHBondContact O-CA 3.48Å; L356-S359 WeakPolarHBondContact O-CB 3.41Å; L356-S359 PolarHBondContact O-N 2.97Å; L356-S359 PolarHBondContact O-OG 2.64Å; L356-A360 HydrophobicContact CB-CB 3.96Å; L356-A360 HydrophobicContact CD1-CB 4.38Å |
| 357 | E | 92.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | 51.8 | -131.6 | -176.6 | -57 | 177.9 | 171.5 | 0 | 0 | 109.5 | P301 Y304 R310 R316 I353 L354 S359 A360 M455 | P301-E357 HydrophobicContact CG-CB 4.17Å; P301-E357 HydrophobicContact CG-CG 4.32Å; Y304-E357 HydrophobicContact CE2-CG 4.19Å; R310-E357 WeakPolarHBondContact CG-OE1 3.11Å; R310-E357 IonicContact CZ-OE1 3.92Å; R310-E357 IonicContact CZ-OE2 2.66Å; R310-E357 IonicContact NE-OE1 3.42Å; R310-E357 PolarHBondContact NE-OE1 2.67Å; R310-E357 IonicContact NE-OE2 3.71Å; R310-E357 IonicContact NH2-OE1 3.86Å; R310-E357 IonicContact NH2-OE2 2.85Å; R310-E357 PolarHBondContact NH2-OE2 2.87Å; R316-E357 WeakPolarHBondContact CD-OE1 3.4Å; R316-E357 IonicContact NE-OE1 3.1Å; R316-E357 IonicContact NE-OE2 3.6Å; I353-E357 PolarHBondContact O-N 3.05Å; I353-E357 VanDerWaalsContact O-N 3.09Å; L354-E357 WeakPolarHBondContact O-CG 3.34Å; E357-S359 PolarHBondContact O-N 2.83Å; E357-S359 VanDerWaalsContact O-N 3.16Å; E357-A360 VanDerWaalsContact O-CB 3.31Å; E357-A360 WeakPolarHBondContact O-CB 3.45Å; E357-A360 PolarHBondContact O-N 3.17Å; E357-M455 HydrophobicContact CB-SD 4.26Å |
| 358 | E | 89 | Confident | 94.2 | Very high | 133 Ų | 133 | 28.4 Ų | 28.4 | 62% | 0.621 | 14% | 0.143 | S | C | * | . | G | 310 helix | trans | -61.5 | -22.6 | 177.4 | -60.6 | -177.7 | 173.5 | 0 | 0 | 113.3 | L356 A360 T361 | L356-E358 PolarHBondContact O-N 3.35Å; E358-A360 PolarHBondContact O-N 3.16Å; E358-A360 VanDerWaalsContact O-N 3.17Å; E358-T361 VanDerWaalsContact O-CB 3.3Å; E358-T361 WeakPolarHBondContact O-CB 3.47Å; E358-T361 PolarHBondContact O-N 2.68Å; E358-T361 VanDerWaalsContact O-N 3.09Å; E358-T361 PolarHBondContact O-OG1 3.32Å |
| 359 | S | 92.4 | Very high | 94.2 | Very high | 53 Ų | 53 | 30.6 Ų | 30.6 | 37% | 0.371 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -69.6 | -9.8 | 176.8 | -53.5 | 0 | 0 | 0 | 0 | 112.9 | L356 E357 T361 Q362 | L356-S359 WeakPolarHBondContact O-CA 3.48Å; L356-S359 WeakPolarHBondContact O-CB 3.41Å; L356-S359 PolarHBondContact O-N 2.97Å; L356-S359 PolarHBondContact O-OG 2.64Å; E357-S359 PolarHBondContact O-N 2.83Å; E357-S359 VanDerWaalsContact O-N 3.16Å; S359-T361 PolarHBondContact O-N 2.94Å; S359-Q362 WeakPolarHBondContact O-CG 3.38Å; S359-Q362 PolarHBondContact O-NE2 2.96Å |
| 360 | A | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -63 | -16.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I353 L356 E357 E358 Q362 H363 T364 L452 I456 | I353-A360 HydrophobicContact CG2-CB 4.29Å; L356-A360 HydrophobicContact CB-CB 3.96Å; L356-A360 HydrophobicContact CD1-CB 4.38Å; E357-A360 VanDerWaalsContact O-CB 3.31Å; E357-A360 WeakPolarHBondContact O-CB 3.45Å; E357-A360 PolarHBondContact O-N 3.17Å; E358-A360 PolarHBondContact O-N 3.16Å; E358-A360 VanDerWaalsContact O-N 3.17Å; A360-Q362 VanDerWaalsContact C-N 3.26Å; A360-Q362 PolarHBondContact O-N 3.22Å; A360-H363 CarbonylContact O-C 3.53Å; A360-H363 WeakPolarHBondContact O-CA 3.38Å; A360-H363 PolarHBondContact O-N 2.8Å; A360-T364 PolarHBondContact O-N 2.96Å; A360-T364 PolarHBondContact O-OG1 2.92Å; A360-L452 HydrophobicContact CB-CD1 4.34Å; A360-I456 HydrophobicContact CB-CD1 4.04Å |
| 361 | T | 93.6 | Very high | 94.3 | Very high | 58 Ų | 58 | 31 Ų | 31 | 36% | 0.356 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -52.8 | -40.4 | -179.6 | -57.8 | 0 | 0 | 0 | 0 | 112.8 | E358 S359 H363 T364 I456 F460 | E358-T361 VanDerWaalsContact O-CB 3.3Å; E358-T361 WeakPolarHBondContact O-CB 3.47Å; E358-T361 PolarHBondContact O-N 2.68Å; E358-T361 VanDerWaalsContact O-N 3.09Å; E358-T361 PolarHBondContact O-OG1 3.32Å; S359-T361 PolarHBondContact O-N 2.94Å; T361-H363 PolarHBondContact O-N 3.36Å; T361-T364 WeakPolarHBondContact CA-OG1 3.46Å; T361-T364 PolarHBondContact O-N 3.09Å; T361-T364 PolarHBondContact O-OG1 3.49Å; T361-I456 VanDerWaalsContact N-CD1 3.27Å; T361-I456 WeakPolarHBondContact OG1-CD1 3.39Å; T361-F460 HydrophobicContact CG2-CD1 4.01Å; T361-F460 HydrophobicContact CG2-CE1 3.68Å; T361-F460 HydrophobicContact CG2-CZ 4Å; T361-F460 WeakPolarHBondContact O-CE1 3.4Å |
| 362 | Q | 94 | Very high | 94.4 | Very high | 111 Ų | 111 | 30.8 Ų | 30.8 | 52% | 0.519 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -69.5 | -15.2 | 179.8 | 74.1 | -170.7 | -42.7 | 0 | 0 | 113.5 | S359 A360 | S359-Q362 WeakPolarHBondContact O-CG 3.38Å; S359-Q362 PolarHBondContact O-NE2 2.96Å; A360-Q362 VanDerWaalsContact C-N 3.26Å; A360-Q362 PolarHBondContact O-N 3.22Å |
| 363 | H | 95.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -107.9 | -2.5 | -179.5 | -59 | -61.4 | 0 | 0 | 0 | 113.2 | A323 S324 F327 A360 T361 Q365 H366 L367 | A323-H363 WeakPolarHBondContact CB-NE2 3.26Å; S324-H363 PolarHBondContact N-CE1 3.11Å; F327-H363 HydrophobicContact CD2-CB 3.78Å; F327-H363 AromaticContact CD2-CD2 3.92Å; F327-H363 AromaticContact CD2-CG 3.58Å; F327-H363 AromaticContact CD2-ND1 3.92Å; F327-H363 HydrophobicContact CE2-CB 3.84Å; F327-H363 AromaticContact CE2-CD2 3.65Å; F327-H363 AromaticContact CE2-CG 3.69Å; A360-H363 CarbonylContact O-C 3.53Å; A360-H363 WeakPolarHBondContact O-CA 3.38Å; A360-H363 PolarHBondContact O-N 2.8Å; T361-H363 PolarHBondContact O-N 3.36Å; H363-Q365 PolarHBondContact O-N 2.97Å; H363-H366 PolarHBondContact O-N 2.72Å; H363-L367 HydrophobicContact CB-CD1 4Å; H363-L367 HydrophobicContact CB-CG 4.23Å; H363-L367 WeakPolarHBondContact O-CG 3.27Å; H363-L367 PolarHBondContact O-N 3.46Å |
| 364 | T | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53 | -48.6 | -172.1 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | A360 T361 H366 L367 L368 I456 F460 W461 L464 | A360-T364 PolarHBondContact O-N 2.96Å; A360-T364 PolarHBondContact O-OG1 2.92Å; T361-T364 WeakPolarHBondContact CA-OG1 3.46Å; T361-T364 PolarHBondContact O-N 3.09Å; T361-T364 PolarHBondContact O-OG1 3.49Å; T364-H366 VanDerWaalsContact C-N 3.27Å; T364-H366 PolarHBondContact O-N 2.8Å; T364-L367 PolarHBondContact O-N 3.47Å; T364-L368 HydrophobicContact CG2-CD1 3.82Å; T364-L368 HydrophobicContact CG2-CG 4Å; T364-L368 WeakPolarHBondContact O-CB 3.43Å; T364-L368 VanDerWaalsContact O-CG 3.25Å; T364-L368 WeakPolarHBondContact O-CG 3.31Å; T364-L368 PolarHBondContact O-N 2.81Å; T364-I456 HydrophobicContact CG2-CG2 4.44Å; T364-F460 HydrophobicContact CG2-CD1 4.07Å; T364-F460 HydrophobicContact CG2-CE1 4.08Å; T364-W461 HydrophobicContact CG2-CB 4.03Å; T364-L464 HydrophobicContact CG2-CD1 3.82Å |
| 365 | Q | 94.7 | Very high | 94.4 | Very high | 82 Ų | 82 | 34 Ų | 34 | 38% | 0.383 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.6 | -42.3 | -180 | -178.3 | 61.2 | 20.7 | 0 | 0 | 112.3 | H363 T369 L464 | H363-Q365 PolarHBondContact O-N 2.97Å; Q365-T369 WeakPolarHBondContact O-CB 3.24Å; Q365-T369 PolarHBondContact O-N 3.13Å; Q365-T369 VanDerWaalsContact O-N 3.12Å; Q365-T369 PolarHBondContact O-OG1 3.39Å; Q365-L464 HydrophobicContact CB-CD1 4.3Å |
| 366 | H | 93.4 | Very high | 94.2 | Very high | 83 Ų | 83 | 34.2 Ų | 34.2 | 38% | 0.384 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -71.5 | -40.4 | -178.7 | -152.6 | 80 | 0 | 0 | 0 | 111.2 | P328 H363 T364 T369 G370 | P328-H366 VanDerWaalsContact CA-NE2 3.31Å; P328-H366 WeakPolarHBondContact CA-NE2 3.38Å; H363-H366 PolarHBondContact O-N 2.72Å; T364-H366 VanDerWaalsContact C-N 3.27Å; T364-H366 PolarHBondContact O-N 2.8Å; H366-T369 PolarHBondContact O-N 3.01Å; H366-G370 PolarHBondContact O-N 2.68Å |
| 367 | L | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -47.2 | 175.6 | -73.8 | 172 | 0 | 0 | 0 | 112.1 | F327 I349 I353 H363 T364 T369 G370 I371 L452 | F327-L367 HydrophobicContact CD1-CD2 3.58Å; F327-L367 HydrophobicContact CD2-CD2 4.49Å; F327-L367 HydrophobicContact CE1-CD2 3.56Å; F327-L367 HydrophobicContact CE2-CD1 4.38Å; F327-L367 HydrophobicContact CE2-CD2 4.42Å; F327-L367 HydrophobicContact CG-CD2 4.08Å; F327-L367 HydrophobicContact CZ-CD1 4.26Å; F327-L367 HydrophobicContact CZ-CD2 3.99Å; I349-L367 HydrophobicContact CG2-CD2 4.16Å; I353-L367 HydrophobicContact CD1-CD1 4.22Å; I353-L367 HydrophobicContact CD1-CD2 4.16Å; I353-L367 HydrophobicContact CG1-CD1 4.01Å; I353-L367 HydrophobicContact CG1-CD2 4.3Å; H363-L367 HydrophobicContact CB-CD1 4Å; H363-L367 HydrophobicContact CB-CG 4.23Å; H363-L367 WeakPolarHBondContact O-CG 3.27Å; H363-L367 PolarHBondContact O-N 3.46Å; T364-L367 PolarHBondContact O-N 3.47Å; L367-T369 VanDerWaalsContact C-N 3.33Å; L367-T369 PolarHBondContact O-N 3.14Å; L367-G370 PolarHBondContact O-N 3.21Å; L367-I371 HydrophobicContact CB-CD1 4.41Å; L367-I371 VanDerWaalsContact O-CB 3.25Å; L367-I371 WeakPolarHBondContact O-CB 3.27Å; L367-I371 WeakPolarHBondContact O-CD1 2.91Å; L367-I371 WeakPolarHBondContact O-CG1 3.49Å; L367-I371 PolarHBondContact O-N 3.41Å; L367-L452 HydrophobicContact CB-CD2 4Å; L367-L452 HydrophobicContact CD1-CD1 3.82Å; L367-L452 HydrophobicContact CD1-CD2 4.46Å |
| 368 | L | 97.2 | Very high | 94 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -48 | 176.6 | -67.8 | 177.6 | 0 | 0 | 0 | 110.7 | T364 A372 L452 W461 L464 L465 L487 L491 | T364-L368 HydrophobicContact CG2-CD1 3.82Å; T364-L368 HydrophobicContact CG2-CG 4Å; T364-L368 WeakPolarHBondContact O-CB 3.43Å; T364-L368 VanDerWaalsContact O-CG 3.25Å; T364-L368 WeakPolarHBondContact O-CG 3.31Å; T364-L368 PolarHBondContact O-N 2.81Å; L368-A372 WeakPolarHBondContact O-CB 3.25Å; L368-A372 PolarHBondContact O-N 2.9Å; L368-L452 HydrophobicContact CD2-CD2 4.09Å; L368-W461 HydrophobicContact CD1-CB 4.22Å; L368-L464 HydrophobicContact CD1-CB 3.68Å; L368-L464 HydrophobicContact CD1-CD1 4.37Å; L368-L465 HydrophobicContact CD1-CB 4.44Å; L368-L487 HydrophobicContact CB-CD2 4.29Å; L368-L487 HydrophobicContact CD2-CD1 4.23Å; L368-L487 HydrophobicContact CD2-CD2 3.95Å; L368-L487 HydrophobicContact CD2-CG 4.39Å; L368-L487 WeakPolarHBondContact O-CD2 3.4Å; L368-L491 HydrophobicContact CD2-CD1 3.63Å; L368-L491 HydrophobicContact CD2-CD2 4.28Å |
| 369 | T | 94.7 | Very high | 93.9 | Very high | 55 Ų | 55 | 28.9 Ų | 28.9 | 34% | 0.337 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.8 | -47.9 | 178.8 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | Q365 H366 L367 N373 | Q365-T369 WeakPolarHBondContact O-CB 3.24Å; Q365-T369 PolarHBondContact O-N 3.13Å; Q365-T369 VanDerWaalsContact O-N 3.12Å; Q365-T369 PolarHBondContact O-OG1 3.39Å; H366-T369 PolarHBondContact O-N 3.01Å; L367-T369 VanDerWaalsContact C-N 3.33Å; L367-T369 PolarHBondContact O-N 3.14Å; T369-N373 WeakPolarHBondContact O-CB 3.49Å; T369-N373 PolarHBondContact O-N 3.03Å; T369-N373 PolarHBondContact O-ND2 3.25Å |
| 370 | G | 96 | Very high | 93.6 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 7% | 0.072 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L334 H366 L367 G374 | L334-G370 WeakPolarHBondContact CD1-O 3.45Å; H366-G370 PolarHBondContact O-N 2.68Å; L367-G370 PolarHBondContact O-N 3.21Å; G370-G374 PolarHBondContact O-N 2.96Å |
| 371 | I | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 178.9 | -64.1 | 167.8 | 0 | 0 | 0 | 110.3 | I349 L367 N373 G374 L375 L445 A448 L452 L487 | I349-I371 HydrophobicContact CG2-CD1 4.47Å; L367-I371 HydrophobicContact CB-CD1 4.41Å; L367-I371 VanDerWaalsContact O-CB 3.25Å; L367-I371 WeakPolarHBondContact O-CB 3.27Å; L367-I371 WeakPolarHBondContact O-CD1 2.91Å; L367-I371 WeakPolarHBondContact O-CG1 3.49Å; L367-I371 PolarHBondContact O-N 3.41Å; I371-N373 PolarHBondContact O-N 3.41Å; I371-G374 PolarHBondContact O-N 3.03Å; I371-L375 HydrophobicContact CG2-CD1 3.92Å; I371-L375 HydrophobicContact CG2-CG 4.36Å; I371-L375 WeakPolarHBondContact O-CB 3.2Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.14Å; I371-L375 PolarHBondContact O-N 3.25Å; I371-L445 HydrophobicContact CG1-CD2 4.39Å; I371-L445 HydrophobicContact CG2-CB 4.13Å; I371-L445 HydrophobicContact CG2-CD2 4.47Å; I371-A448 HydrophobicContact CD1-CB 4.02Å; I371-L452 HydrophobicContact CD1-CD2 4.37Å; I371-L487 HydrophobicContact CB-CD1 4.26Å; I371-L487 HydrophobicContact CG2-CD1 3.79Å |
| 372 | A | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L368 L375 A376 L487 | L368-A372 WeakPolarHBondContact O-CB 3.25Å; L368-A372 PolarHBondContact O-N 2.9Å; A372-L375 PolarHBondContact O-N 3.49Å; A372-A376 WeakPolarHBondContact O-CB 3.22Å; A372-A376 PolarHBondContact O-N 3.41Å; A372-L487 HydrophobicContact CB-CD2 3.79Å |
| 373 | N | 93.6 | Very high | 90.7 | Very high | 79 Ų | 79 | 27.3 Ų | 27.3 | 42% | 0.422 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66.1 | -41 | 177.7 | -70.5 | -12.5 | 0 | 0 | 0 | 111.7 | T369 I371 L375 A376 D377 | T369-N373 WeakPolarHBondContact O-CB 3.49Å; T369-N373 PolarHBondContact O-N 3.03Å; T369-N373 PolarHBondContact O-ND2 3.25Å; I371-N373 PolarHBondContact O-N 3.41Å; N373-L375 PolarHBondContact O-N 3.04Å; N373-A376 PolarHBondContact O-N 3.44Å; N373-D377 WeakPolarHBondContact O-CB 3.4Å; N373-D377 PolarHBondContact O-N 3.35Å |
| 374 | G | 94.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G370 I371 A378 L445 | G370-G374 PolarHBondContact O-N 2.96Å; I371-G374 PolarHBondContact O-N 3.03Å; G374-A378 VanDerWaalsContact O-CB 3.3Å; G374-A378 WeakPolarHBondContact O-CB 3.28Å; G374-A378 PolarHBondContact O-N 2.92Å; G374-L445 VanDerWaalsContact C-CD1 3.49Å |
| 375 | L | 93 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 173.8 | -73.9 | 169.5 | 0 | 0 | 0 | 111.5 | I371 A372 N373 A378 L379 I442 L445 G483 L486 L487 | I371-L375 HydrophobicContact CG2-CD1 3.92Å; I371-L375 HydrophobicContact CG2-CG 4.36Å; I371-L375 WeakPolarHBondContact O-CB 3.2Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.14Å; I371-L375 PolarHBondContact O-N 3.25Å; A372-L375 PolarHBondContact O-N 3.49Å; N373-L375 PolarHBondContact O-N 3.04Å; L375-A378 PolarHBondContact O-N 3.26Å; L375-L379 VanDerWaalsContact O-CB 3.31Å; L375-L379 WeakPolarHBondContact O-CB 3.08Å; L375-L379 WeakPolarHBondContact O-CG 3.14Å; L375-L379 PolarHBondContact O-N 3.09Å; L375-I442 HydrophobicContact CD2-CB 4.3Å; L375-I442 HydrophobicContact CD2-CG1 4.19Å; L375-I442 HydrophobicContact CD2-CG2 4.11Å; L375-L445 HydrophobicContact CD2-CB 3.76Å; L375-L445 HydrophobicContact CD2-CD1 4.28Å; L375-L445 HydrophobicContact CG-CB 3.99Å; L375-L445 HydrophobicContact CG-CD1 4.08Å; L375-G483 WeakPolarHBondContact CD1-O 3.49Å; L375-L486 HydrophobicContact CD1-CB 4.14Å; L375-L487 HydrophobicContact CD1-CB 4.03Å |
| 376 | A | 91.5 | Very high | 84.5 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A372 N373 S380 S479 | A372-A376 WeakPolarHBondContact O-CB 3.22Å; A372-A376 PolarHBondContact O-N 3.41Å; N373-A376 PolarHBondContact O-N 3.44Å; A376-S380 WeakPolarHBondContact O-CB 3.47Å; A376-S380 PolarHBondContact O-N 3.44Å; A376-S479 WeakPolarHBondContact CB-O 3.3Å |
| 377 | D | 91.2 | Very high | 82.5 | Confident | 41 Ų | 41 | 31.4 Ų | 31.4 | 22% | 0.219 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -46.8 | 177.1 | -174 | 53 | 0 | 0 | 0 | 111.2 | N373 L379 S380 R381 | N373-D377 WeakPolarHBondContact O-CB 3.4Å; N373-D377 PolarHBondContact O-N 3.35Å; D377-L379 PolarHBondContact O-N 3.38Å; D377-S380 WeakPolarHBondContact O-CB 3.31Å; D377-S380 PolarHBondContact O-N 3.11Å; D377-S380 VanDerWaalsContact O-N 3.14Å; D377-S380 PolarHBondContact O-OG 3.35Å; D377-R381 PolarHBondContact O-N 3.37Å; D377-R381 IonicContact OD1-NH1 2.74Å; D377-R381 IonicContact OD2-CZ 2.67Å; D377-R381 IonicContact OD2-NH1 2.72Å; D377-R381 PolarHBondContact OD2-NH1 3.03Å; D377-R381 IonicContact OD2-NH2 3.24Å; D377-R381 PolarHBondContact OD2-NH2 3Å |
| 378 | A | 90.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G374 L375 S380 R381 I382 A438 V441 I442 | G374-A378 VanDerWaalsContact O-CB 3.3Å; G374-A378 WeakPolarHBondContact O-CB 3.28Å; G374-A378 PolarHBondContact O-N 2.92Å; L375-A378 PolarHBondContact O-N 3.26Å; A378-S380 VanDerWaalsContact C-N 3.27Å; A378-S380 PolarHBondContact O-N 2.91Å; A378-R381 PolarHBondContact O-N 2.85Å; A378-I382 PolarHBondContact O-N 2.88Å; A378-A438 HydrophobicContact CB-CB 4.46Å; A378-V441 HydrophobicContact CB-CB 4.4Å; A378-V441 HydrophobicContact CB-CG1 4.05Å; A378-I442 HydrophobicContact CB-CD1 4.17Å; A378-I442 HydrophobicContact CB-CG1 3.71Å |
| 379 | L | 86.8 | Confident | 77.9 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -33.7 | 174.4 | -76.4 | 173 | 0 | 0 | 0 | 112.7 | L375 D377 R381 I382 L390 I442 A482 L486 | L375-L379 VanDerWaalsContact O-CB 3.31Å; L375-L379 WeakPolarHBondContact O-CB 3.08Å; L375-L379 WeakPolarHBondContact O-CG 3.14Å; L375-L379 PolarHBondContact O-N 3.09Å; D377-L379 PolarHBondContact O-N 3.38Å; L379-R381 VanDerWaalsContact C-N 3.26Å; L379-R381 PolarHBondContact O-N 3.02Å; L379-I382 PolarHBondContact O-N 3.39Å; L379-L390 HydrophobicContact CD2-CD1 3.46Å; L379-L390 VanDerWaalsContact CD2-CD1 3.46Å; L379-L390 HydrophobicContact CD2-CD2 3.87Å; L379-L390 HydrophobicContact CD2-CG 4.34Å; L379-I442 HydrophobicContact CD2-CD1 3.82Å; L379-I442 HydrophobicContact CG-CD1 4.13Å; L379-A482 HydrophobicContact CD1-CB 3.62Å; L379-L486 HydrophobicContact CD1-CD1 3.81Å; L379-L486 HydrophobicContact CD2-CD1 4.15Å; L379-L486 HydrophobicContact CG-CD1 4.29Å |
| 380 | S | 85.8 | Confident | 75.8 | Confident | 73 Ų | 73 | 32.8 Ų | 32.8 | 51% | 0.51 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.1 | -26.2 | 178.2 | 80.2 | 0 | 0 | 0 | 0 | 113.1 | A376 D377 A378 | A376-S380 WeakPolarHBondContact O-CB 3.47Å; A376-S380 PolarHBondContact O-N 3.44Å; D377-S380 WeakPolarHBondContact O-CB 3.31Å; D377-S380 PolarHBondContact O-N 3.11Å; D377-S380 VanDerWaalsContact O-N 3.14Å; D377-S380 PolarHBondContact O-OG 3.35Å; A378-S380 VanDerWaalsContact C-N 3.27Å; A378-S380 PolarHBondContact O-N 2.91Å |
| 381 | R | 83.2 | Confident | 73.7 | Confident | 56 Ų | 56 | 34 Ų | 34 | 21% | 0.211 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -78.7 | -17.1 | 174.1 | -69.4 | -168.9 | -86.6 | -93.7 | -6.7 | 113.3 | D377 A378 L379 S383 E437 A438 | D377-R381 PolarHBondContact O-N 3.37Å; D377-R381 IonicContact OD1-NH1 2.74Å; D377-R381 IonicContact OD2-CZ 2.67Å; D377-R381 IonicContact OD2-NH1 2.72Å; D377-R381 PolarHBondContact OD2-NH1 3.03Å; D377-R381 IonicContact OD2-NH2 3.24Å; D377-R381 PolarHBondContact OD2-NH2 3Å; A378-R381 PolarHBondContact O-N 2.85Å; L379-R381 VanDerWaalsContact C-N 3.26Å; L379-R381 PolarHBondContact O-N 3.02Å; R381-S383 PolarHBondContact O-N 3.42Å; R381-E437 IonicContact NE-OE2 3.62Å; R381-A438 HydrophobicContact CB-CB 4.27Å |
| 382 | I | 77.7 | Confident | 71.4 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -83.2 | 110.2 | 174.5 | -61.3 | 174.3 | 0 | 0 | 0 | 108.1 | A378 L379 L390 A438 I439 I442 | A378-I382 PolarHBondContact O-N 2.88Å; L379-I382 PolarHBondContact O-N 3.39Å; I382-L390 HydrophobicContact CD1-CD2 4.1Å; I382-A438 HydrophobicContact CD1-CB 4.2Å; I382-A438 HydrophobicContact CG1-CB 3.8Å; I382-I439 HydrophobicContact CD1-CG1 3.92Å; I382-I442 HydrophobicContact CD1-CD1 3.54Å |
| 383 | S | 60.8 | Low | 69 | Low | 53 Ų | 53 | 42.8 Ų | 42.8 | 37% | 0.371 | 24% | 0.24 | S | C | . | . | trans | -56.7 | 155.1 | 171.7 | 78.8 | 0 | 0 | 0 | 0 | 110.8 | R381 I385 G386 | R381-S383 PolarHBondContact O-N 3.42Å; S383-I385 PolarHBondContact O-N 3.21Å; S383-G386 PolarHBondContact O-N 2.99Å | ||
| 384 | P | 55.1 | Low | 67 | Low | 104 Ų | 104 | 39.8 Ų | 39.8 | 68% | 0.675 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -53.9 | -23 | -179.1 | -24.9 | 32.6 | 0 | 0 | 0 | 114.9 | G386 N387 | P384-G386 VanDerWaalsContact C-N 3.33Å; P384-N387 WeakPolarHBondContact CA-ND2 3.47Å; P384-N387 WeakPolarHBondContact O-CB 3.32Å; P384-N387 PolarHBondContact O-N 3.16Å; P384-N387 PolarHBondContact O-ND2 2.84Å; P384-N387 VanDerWaalsContact O-ND2 3.17Å |
| 385 | I | 50.3 | Low | 64.6 | Low | 150 Ų | 150 | 41.3 Ų | 41.3 | 77% | 0.769 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -70.1 | -31.8 | 179.6 | -56.4 | 168.1 | 0 | 0 | 0 | 111.1 | S383 N387 | S383-I385 PolarHBondContact O-N 3.21Å; I385-N387 PolarHBondContact O-N 3.42Å |
| 386 | G | 50.4 | Low | 62.2 | Low | 10 Ų | 10 | 45.2 Ų | 45.2 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -75.5 | -3.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S383 P384 M388 S389 | S383-G386 PolarHBondContact O-N 2.99Å; P384-G386 VanDerWaalsContact C-N 3.33Å; G386-M388 VanDerWaalsContact C-N 3.27Å; G386-M388 PolarHBondContact O-N 2.77Å; G386-S389 WeakPolarHBondContact O-CB 3.35Å; G386-S389 PolarHBondContact O-N 3.32Å; G386-S389 VanDerWaalsContact O-N 3.08Å; G386-S389 PolarHBondContact O-OG 3.09Å |
| 387 | N | 50.3 | Low | 60.1 | Low | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.032 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.4 | -23.4 | -172.2 | -67.7 | -10.1 | 0 | 0 | 0 | 114 | P384 I385 S389 L390 I590 N591 F680 | P384-N387 WeakPolarHBondContact CA-ND2 3.47Å; P384-N387 WeakPolarHBondContact O-CB 3.32Å; P384-N387 PolarHBondContact O-N 3.16Å; P384-N387 PolarHBondContact O-ND2 2.84Å; P384-N387 VanDerWaalsContact O-ND2 3.17Å; I385-N387 PolarHBondContact O-N 3.42Å; N387-S389 PolarHBondContact O-N 3.4Å; N387-S389 VanDerWaalsContact O-N 3.17Å; N387-L390 PolarHBondContact O-N 2.86Å; N387-I590 HydrophobicContact CB-CG2 3.79Å; N387-I590 WeakPolarHBondContact ND2-CG2 3.41Å; N387-N591 VanDerWaalsContact CG-OD1 3.26Å; N387-N591 PolarHBondContact ND2-OD1 3.33Å; N387-N591 PolarHBondContact OD1-OD1 2.74Å; N387-N591 VanDerWaalsContact OD1-OD1 3.1Å; N387-F680 HydrophobicContact CB-CD2 4.21Å; N387-F680 HydrophobicContact CB-CE2 4.09Å |
| 388 | M | 47.9 | Very low | 58.1 | Low | 67 Ų | 67 | 45.7 Ų | 45.7 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.2 | -33.7 | 170.6 | -74.2 | -62.5 | -59.6 | 0 | 0 | 112.3 | G386 F680 T683 | G386-M388 VanDerWaalsContact C-N 3.27Å; G386-M388 PolarHBondContact O-N 2.77Å; M388-F680 VanDerWaalsContact SD-CA 3.51Å; M388-F680 HydrophobicContact SD-CB 3.85Å; M388-F680 HydrophobicContact SD-CD2 3.97Å; M388-F680 HydrophobicContact SD-CG 4.43Å; M388-T683 HydrophobicContact CE-CG2 4.32Å; M388-T683 WeakPolarHBondContact CE-OG1 3.38Å |
| 389 | S | 49.4 | Very low | 56.4 | Low | 8 Ų | 8 | 46.6 Ų | 46.6 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.7 | -41.4 | -175.8 | -30.3 | 0 | 0 | 0 | 0 | 111.9 | G386 N387 I391 N392 M393 F430 | G386-S389 WeakPolarHBondContact O-CB 3.35Å; G386-S389 PolarHBondContact O-N 3.32Å; G386-S389 VanDerWaalsContact O-N 3.08Å; G386-S389 PolarHBondContact O-OG 3.09Å; N387-S389 PolarHBondContact O-N 3.4Å; N387-S389 VanDerWaalsContact O-N 3.17Å; S389-I391 VanDerWaalsContact C-N 3.35Å; S389-I391 PolarHBondContact O-N 2.76Å; S389-N392 CarbonylContact O-C 3.6Å; S389-N392 PolarHBondContact O-N 3.49Å; S389-N392 VanDerWaalsContact O-N 3.08Å; S389-M393 WeakPolarHBondContact O-CA 3.46Å; S389-M393 WeakPolarHBondContact O-CB 3.23Å; S389-M393 WeakPolarHBondContact O-CG 3.28Å; S389-M393 PolarHBondContact O-N 3.1Å; S389-F430 VanDerWaalsContact OG-CE1 3.31Å; S389-F430 WeakPolarHBondContact OG-CE1 3.13Å; S389-F430 WeakPolarHBondContact OG-CZ 3.43Å |
| 390 | L | 52.1 | Low | 54.8 | Low | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | -167.5 | -72.6 | 166.7 | 0 | 0 | 0 | 112.6 | L379 I382 N387 N392 I442 | L379-L390 HydrophobicContact CD2-CD1 3.46Å; L379-L390 VanDerWaalsContact CD2-CD1 3.46Å; L379-L390 HydrophobicContact CD2-CD2 3.87Å; L379-L390 HydrophobicContact CD2-CG 4.34Å; I382-L390 HydrophobicContact CD1-CD2 4.1Å; N387-L390 PolarHBondContact O-N 2.86Å; L390-N392 VanDerWaalsContact C-N 3.31Å; L390-N392 PolarHBondContact O-N 3.09Å; L390-I442 HydrophobicContact CD2-CD1 3.85Å |
| 391 | I | 50.3 | Low | 52.8 | Low | 31 Ų | 31 | 53.3 Ų | 53.3 | 16% | 0.159 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.3 | -31.4 | 179.6 | -62.6 | 175.2 | 0 | 0 | 0 | 111.6 | S389 A594 F680 V684 | S389-I391 VanDerWaalsContact C-N 3.35Å; S389-I391 PolarHBondContact O-N 2.76Å; I391-A594 HydrophobicContact CD1-CB 4.22Å; I391-A594 HydrophobicContact CG1-CB 3.88Å; I391-F680 HydrophobicContact CD1-CE2 3.87Å; I391-F680 HydrophobicContact CD1-CZ 4.1Å; I391-V684 HydrophobicContact CD1-CG2 3.59Å |
| 392 | N | 49.5 | Very low | 50.7 | Low | 117 Ų | 117 | 54.5 Ų | 54.5 | 63% | 0.626 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -97.7 | -18.2 | -176.5 | -71.2 | -23 | 0 | 0 | 0 | 114 | S389 L390 | S389-N392 CarbonylContact O-C 3.6Å; S389-N392 PolarHBondContact O-N 3.49Å; S389-N392 VanDerWaalsContact O-N 3.08Å; L390-N392 VanDerWaalsContact C-N 3.31Å; L390-N392 PolarHBondContact O-N 3.09Å |
| 393 | M | 45.6 | Very low | 48.6 | Very low | 68 Ų | 68 | 57.4 Ų | 57.4 | 34% | 0.335 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -98.9 | -13.9 | -171.2 | -72.6 | -73.5 | 159 | 0 | 0 | 113.7 | S389 P395 V429 F430 | S389-M393 WeakPolarHBondContact O-CA 3.46Å; S389-M393 WeakPolarHBondContact O-CB 3.23Å; S389-M393 WeakPolarHBondContact O-CG 3.28Å; S389-M393 PolarHBondContact O-N 3.1Å; M393-P395 WeakPolarHBondContact O-CD 3.43Å; M393-P395 VanDerWaalsContact O-N 3.1Å; M393-V429 HydrophobicContact CE-CG1 3.23Å; M393-V429 HydrophobicContact SD-CG1 3.76Å; M393-V429 HydrophobicContact SD-CG2 4.27Å; M393-F430 HydrophobicContact CE-CZ 4.32Å |
| 394 | M | 51 | Low | 47 | Very low | 17 Ų | 17 | 58.8 Ų | 58.8 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -71 | 107.5 | 174.8 | -72.9 | -159.6 | 138 | 0 | 0 | 108.4 | V396 I442 F446 L486 E598 | M394-V396 PolarHBondContact O-N 3.36Å; M394-I442 HydrophobicContact CE-CG2 3.54Å; M394-F446 HydrophobicContact CE-CB 4.17Å; M394-F446 HydrophobicContact CE-CD2 3.6Å; M394-F446 HydrophobicContact CE-CE2 4.11Å; M394-F446 HydrophobicContact CE-CG 3.95Å; M394-F446 HydrophobicContact SD-CD2 4.07Å; M394-F446 HydrophobicContact SD-CE2 3.97Å; M394-F446 HydrophobicContact SD-CZ 4.34Å; M394-L486 HydrophobicContact CE-CB 4.46Å; M394-L486 HydrophobicContact CE-CD1 3.9Å; M394-L486 HydrophobicContact CE-CD2 3.71Å; M394-L486 HydrophobicContact CE-CG 4.25Å; M394-L486 HydrophobicContact SD-CD2 3.68Å; M394-E598 HydrophobicContact SD-CG 4.35Å |
| 395 | P | 44.8 | Very low | 46.1 | Very low | 32 Ų | 32 | 62.8 Ų | 62.8 | 21% | 0.208 | 32% | 0.324 | C | S | . | . | trans | -64.2 | 130.3 | -177.9 | 31.2 | -36.3 | 0 | 0 | 0 | 107.5 | M393 V397 | M393-P395 WeakPolarHBondContact O-CD 3.43Å; M393-P395 VanDerWaalsContact O-N 3.1Å; P395-V397 HydrophobicContact CB-CG2 3.76Å; P395-V397 HydrophobicContact CG-CG2 3.85Å; P395-V397 PolarHBondContact O-N 2.71Å | ||
| 396 | V | 42.3 | Very low | 44.9 | Very low | 83 Ų | 83 | 59.2 Ų | 59.2 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | trans | -70 | 79.6 | 165.4 | 179.7 | 0 | 0 | 0 | 0 | 106.7 | M394 S398 | M394-V396 PolarHBondContact O-N 3.36Å; V396-S398 PolarHBondContact O-N 3.29Å | ||
| 397 | V | 47.7 | Very low | 43.7 | Very low | 16 Ų | 16 | 64.1 Ų | 64.1 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | trans | -89.5 | 99 | 170.4 | -175.1 | 0 | 0 | 0 | 0 | 106.7 | P395 F399 L420 Q450 H493 | P395-V397 HydrophobicContact CB-CG2 3.76Å; P395-V397 HydrophobicContact CG-CG2 3.85Å; P395-V397 PolarHBondContact O-N 2.71Å; V397-F399 HydrophobicContact CG1-CD1 3.95Å; V397-F399 HydrophobicContact CG1-CD2 4.15Å; V397-F399 HydrophobicContact CG1-CE1 3.64Å; V397-F399 HydrophobicContact CG1-CE2 3.86Å; V397-F399 HydrophobicContact CG1-CG 4.19Å; V397-F399 HydrophobicContact CG1-CZ 3.59Å; V397-F399 PolarHBondContact O-N 3.44Å; V397-L420 HydrophobicContact CG1-CD1 4.3Å; V397-L420 HydrophobicContact CG1-CD2 4.02Å; V397-L420 HydrophobicContact CG2-CD1 3.81Å; V397-L420 HydrophobicContact CG2-CD2 4.12Å; V397-Q450 PolarHBondContact O-NE2 3.23Å; V397-Q450 PolarHBondContact O-OE1 2.67Å; V397-H493 VanDerWaalsContact C-CE1 3.45Å; V397-H493 PolarHBondContact O-CE1 3.36Å; V397-H493 PolarHBondContact O-ND1 3.43Å | ||
| 398 | S | 49.5 | Very low | 42.5 | Very low | 45 Ų | 45 | 69.4 Ų | 69.4 | 32% | 0.315 | 38% | 0.382 | S | S | . | . | trans | -85.2 | 106.6 | 162.9 | -165.1 | 0 | 0 | 0 | 0 | 108.3 | V396 R400 | V396-S398 PolarHBondContact O-N 3.29Å; S398-R400 PolarHBondContact O-N 3.26Å | ||
| 399 | F | 54 | Low | 41.5 | Very low | 20 Ų | 20 | 71.8 Ų | 71.8 | 9% | 0.088 | 40% | 0.395 | C | S | . | . | trans | -73.5 | -3 | 167.5 | -65.8 | -68 | 0 | 0 | 0 | 112.4 | P305 C306 V397 I417 L420 I447 Q450 V451 | P305-F399 HydrophobicContact CB-CB 3.86Å; P305-F399 HydrophobicContact CB-CD1 3.97Å; P305-F399 HydrophobicContact CB-CG 3.99Å; C306-F399 WeakPolarHBondContact CA-O 3.47Å; C306-F399 WeakPolarHBondContact CB-O 3.33Å; C306-F399 PolarHBondContact N-O 2.82Å; V397-F399 HydrophobicContact CG1-CD1 3.95Å; V397-F399 HydrophobicContact CG1-CD2 4.15Å; V397-F399 HydrophobicContact CG1-CE1 3.64Å; V397-F399 HydrophobicContact CG1-CE2 3.86Å; V397-F399 HydrophobicContact CG1-CG 4.19Å; V397-F399 HydrophobicContact CG1-CZ 3.59Å; V397-F399 PolarHBondContact O-N 3.44Å; F399-I417 HydrophobicContact CZ-CD1 4.49Å; F399-I417 HydrophobicContact CZ-CG1 4.5Å; F399-L420 HydrophobicContact CE1-CD2 4.04Å; F399-L420 HydrophobicContact CZ-CD2 3.64Å; F399-I447 HydrophobicContact CE2-CG2 4.36Å; F399-I447 HydrophobicContact CZ-CG2 4.03Å; F399-Q450 HydrophobicContact CD2-CB 4.12Å; F399-Q450 HydrophobicContact CE2-CB 3.94Å; F399-V451 HydrophobicContact CE2-CG2 4.38Å | ||
| 400 | R | 52.6 | Low | 40.2 | Very low | 47 Ų | 47 | 77.2 Ų | 77.2 | 18% | 0.177 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -77.8 | 144.2 | 167.5 | -86.2 | 171.1 | -106.2 | -171.4 | -7.3 | 108.3 | S398 E402 H493 G494 S495 H606 E609 | S398-R400 PolarHBondContact O-N 3.26Å; R400-E402 VanDerWaalsContact C-N 3.33Å; R400-E402 PolarHBondContact O-N 2.64Å; R400-H493 PolarHBondContact NH2-O 3.3Å; R400-G494 PolarHBondContact NH2-O 3.17Å; R400-S495 PolarHBondContact NH1-O 2.82Å; R400-S495 PolarHBondContact NH2-O 3.31Å; R400-H606 PolarHBondContact NH1-CE1 3.45Å; R400-H606 PolarHBondContact NH2-CE1 3.21Å; R400-E609 IonicContact CZ-OE2 2.94Å; R400-E609 IonicContact NH1-OE1 2.8Å; R400-E609 PolarHBondContact NH1-OE1 2.77Å; R400-E609 IonicContact NH1-OE2 3.32Å; R400-E609 PolarHBondContact NH1-OE2 3.21Å |
| 401 | K | 44.6 | Very low | 38.8 | Very low | 168 Ų | 168 | 81.6 Ų | 81.6 | 73% | 0.73 | 46% | 0.456 | S | S | * | . | trans | -51.8 | 109.2 | 160.6 | -78.5 | -178.8 | 178.9 | 175.1 | 0 | 105.3 | C306 T403 | C306-K401 HydrophobicContact CB-CG 4.26Å; C306-K401 WeakPolarHBondContact SG-CG 3.28Å; K401-T403 VanDerWaalsContact C-N 3.29Å; K401-T403 PolarHBondContact O-N 3.12Å | ||
| 402 | E | 38 | Very low | 37.7 | Very low | 81 Ų | 81 | 85 Ų | 85 | 38% | 0.379 | 48% | 0.478 | S | S | . | . | trans | -53.4 | 111.5 | 156.9 | -74.7 | -175.8 | 171.7 | 0 | 0 | 103.7 | R400 S404 | R400-E402 VanDerWaalsContact C-N 3.33Å; R400-E402 PolarHBondContact O-N 2.64Å; E402-S404 PolarHBondContact O-N 3.01Å; E402-S404 PolarHBondContact O-OG 3.45Å | ||
| 403 | T | 35.5 | Very low | 36.9 | Very low | 69 Ų | 69 | 86.3 Ų | 86.3 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | trans | -57.3 | 99.1 | 161.1 | 38.1 | 0 | 0 | 0 | 0 | 103.6 | K401 Y405 | K401-T403 VanDerWaalsContact C-N 3.29Å; K401-T403 PolarHBondContact O-N 3.12Å; T403-Y405 VanDerWaalsContact C-N 3.26Å; T403-Y405 PolarHBondContact O-N 2.93Å | ||
| 404 | S | 26.5 | Very low | 36.7 | Very low | 82 Ų | 82 | 91.8 Ų | 91.8 | 57% | 0.573 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -60.3 | 73.5 | -161 | -53.6 | 0 | 0 | 0 | 0 | 113.1 | E402 | E402-S404 PolarHBondContact O-N 3.01Å; E402-S404 PolarHBondContact O-OG 3.45Å |
| 405 | Y | 36.5 | Very low | 36.6 | Very low | 187 Ų | 187 | 93.1 Ų | 93.1 | 73% | 0.733 | 52% | 0.516 | S | S | * | . | trans | -146.7 | 6.3 | -177.8 | -61.4 | -68.9 | 0 | 0 | 0 | 115.2 | T403 | T403-Y405 VanDerWaalsContact C-N 3.26Å; T403-Y405 PolarHBondContact O-N 2.93Å | ||
| 406 | S | 25.3 | Very low | 37.4 | Very low | 76 Ų | 76 | 94.5 Ų | 94.5 | 53% | 0.531 | 52% | 0.521 | S | S | . | . | trans | -88.6 | 109.2 | 162 | 65.8 | 0 | 0 | 0 | 0 | 109.1 | S408 | S406-S408 PolarHBondContact O-N 2.91Š| ||
| 407 | S | 25 | Very low | 38.5 | Very low | 113 Ų | 113 | 90.6 Ų | 90.6 | 79% | 0.79 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -59.2 | 131.8 | 169.7 | 12.1 | 0 | 0 | 0 | 0 | 108.4 | ||
| 408 | S | 24.7 | Very low | 39.3 | Very low | 117 Ų | 117 | 91.2 Ų | 91.2 | 82% | 0.818 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 83.7 | 54.8 | 173 | 69.9 | 0 | 0 | 0 | 0 | 119.1 | S406 | S406-S408 PolarHBondContact O-N 2.91Š|
| 409 | I | 25.7 | Very low | 40.2 | Very low | 117 Ų | 117 | 92 Ų | 92 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -141.6 | 138.2 | 135.3 | -80.2 | 125.2 | 0 | 0 | 0 | 106 | T411 | I409-T411 PolarHBondContact O-N 3.29Å; I409-T411 VanDerWaalsContact O-N 3.12Å |
| 410 | T | 22.4 | Very low | 40.6 | Very low | 121 Ų | 121 | 91.6 Ų | 91.6 | 74% | 0.742 | 50% | 0.504 | S | S | * | . | trans | -53.3 | 113.6 | -177.7 | 42.1 | 0 | 0 | 0 | 0 | 111.9 | T412 | T410-T412 PolarHBondContact O-N 3.42Š| ||
| 411 | T | 23.1 | Very low | 41.4 | Very low | 107 Ų | 107 | 89.4 Ų | 89.4 | 66% | 0.656 | 50% | 0.496 | S | S | * | . | trans | -61.3 | 91.2 | 168.3 | 49.9 | 0 | 0 | 0 | 0 | 109.8 | I409 D413 | I409-T411 PolarHBondContact O-N 3.29Å; I409-T411 VanDerWaalsContact O-N 3.12Å; T411-D413 PolarHBondContact O-N 3.43Å | ||
| 412 | T | 27.8 | Very low | 42.7 | Very low | 101 Ų | 101 | 82 Ų | 82 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | trans | -83 | 96.1 | 161.1 | 51.7 | 0 | 0 | 0 | 0 | 107.6 | T410 K414 V415 | T410-T412 PolarHBondContact O-N 3.42Å; T412-K414 PolarHBondContact O-N 3.22Å; T412-V415 WeakPolarHBondContact OG1-CG2 3.46Å | ||
| 413 | D | 32.8 | Very low | 44.1 | Very low | 146 Ų | 146 | 81.7 Ų | 81.7 | 78% | 0.781 | 47% | 0.469 | S | S | * | . | trans | -37 | 128.6 | 161.8 | -88 | -44.3 | 0 | 0 | 0 | 111.4 | T411 V415 | T411-D413 PolarHBondContact O-N 3.43Å; D413-V415 PolarHBondContact O-N 3.46Å | ||
| 414 | K | 41.1 | Very low | 45.6 | Very low | 182 Ų | 182 | 80 Ų | 80 | 79% | 0.791 | 46% | 0.456 | S | S | * | . | trans | 43.7 | 72.4 | 164.3 | -62.6 | -179.4 | -179.3 | 175.3 | 0 | 114.8 | T412 D416 | T412-K414 PolarHBondContact O-N 3.22Å; K414-D416 PolarHBondContact O-N 2.85Å; K414-D416 VanDerWaalsContact O-N 3.15Å | ||
| 415 | V | 48.4 | Very low | 47.1 | Very low | 46 Ų | 46 | 76.3 Ų | 76.3 | 28% | 0.279 | 43% | 0.431 | S | S | . | . | trans | -74 | 105.6 | 168.1 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | T412 D413 L420 | T412-V415 WeakPolarHBondContact OG1-CG2 3.46Å; D413-V415 PolarHBondContact O-N 3.46Å; V415-L420 HydrophobicContact CG1-CB 3.87Å; V415-L420 HydrophobicContact CG1-CD1 3.69Å; V415-L420 HydrophobicContact CG1-CG 4.33Å | ||
| 416 | D | 62.6 | Low | 48 | Very low | 60 Ų | 60 | 70 Ų | 70 | 32% | 0.321 | 41% | 0.411 | S | S | . | . | trans | -69.3 | 126.2 | 167.2 | 177.6 | 9.9 | 0 | 0 | 0 | 108.9 | K414 I418 S419 L420 | K414-D416 PolarHBondContact O-N 2.85Å; K414-D416 VanDerWaalsContact O-N 3.15Å; D416-I418 PolarHBondContact O-N 3.47Å; D416-I418 PolarHBondContact OD1-N 3.49Å; D416-I418 VanDerWaalsContact OD1-N 3.15Å; D416-S419 CarbonylContact O-C 3.57Å; D416-S419 WeakPolarHBondContact O-CA 3.31Å; D416-S419 VanDerWaalsContact O-CB 3.26Å; D416-S419 WeakPolarHBondContact O-CB 3.32Å; D416-S419 PolarHBondContact O-N 2.93Å; D416-L420 PolarHBondContact O-N 3.45Å | ||
| 417 | I | 63.5 | Low | 49.4 | Very low | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56.1 | -32.8 | 178.8 | -170.8 | 168 | 0 | 0 | 0 | 112.6 | C308 L354 F399 S419 L420 V421 I447 V451 | C308-I417 HydrophobicContact CB-CG2 4.17Å; C308-I417 WeakPolarHBondContact SG-CB 3.36Å; C308-I417 VanDerWaalsContact SG-CG2 3.54Å; L354-I417 HydrophobicContact CD1-CD1 4.5Å; L354-I417 HydrophobicContact CD2-CG2 3.59Å; F399-I417 HydrophobicContact CZ-CD1 4.49Å; F399-I417 HydrophobicContact CZ-CG1 4.5Å; I417-S419 VanDerWaalsContact C-N 3.34Å; I417-L420 PolarHBondContact O-N 3.23Å; I417-V421 HydrophobicContact CG1-CG2 4.1Å; I417-V421 VanDerWaalsContact O-CB 3.29Å; I417-V421 WeakPolarHBondContact O-CB 3.34Å; I417-V421 WeakPolarHBondContact O-CG2 3.48Å; I417-V421 PolarHBondContact O-N 3.25Å; I417-I447 HydrophobicContact CD1-CG2 4.27Å; I417-I447 HydrophobicContact CG1-CG2 4.35Å; I417-V451 HydrophobicContact CD1-CG2 3.43Å; I417-V451 VanDerWaalsContact CD1-CG2 3.43Å |
| 418 | I | 64.8 | Low | 50.9 | Low | 30 Ų | 30 | 71.5 Ų | 71.5 | 15% | 0.154 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64 | -45.9 | 175.1 | -61.8 | 170.4 | 0 | 0 | 0 | 109.2 | F260 D416 L420 V421 V422 | F260-I418 HydrophobicContact CD1-CD1 3.56Å; F260-I418 HydrophobicContact CD1-CG1 4.15Å; F260-I418 HydrophobicContact CE1-CD1 3.83Å; F260-I418 WeakPolarHBondContact O-CG2 3.42Å; D416-I418 PolarHBondContact O-N 3.47Å; D416-I418 PolarHBondContact OD1-N 3.49Å; D416-I418 VanDerWaalsContact OD1-N 3.15Å; I418-L420 VanDerWaalsContact C-N 3.32Å; I418-L420 PolarHBondContact O-N 2.84Å; I418-V421 PolarHBondContact O-N 3.14Å; I418-V422 HydrophobicContact CG2-CG2 4.48Å; I418-V422 WeakPolarHBondContact O-CB 3.36Å; I418-V422 WeakPolarHBondContact O-CG2 3.42Å; I418-V422 PolarHBondContact O-N 3.25Å |
| 419 | S | 68.7 | Low | 52.5 | Low | 60 Ų | 60 | 68.6 Ų | 68.6 | 42% | 0.42 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 175.3 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | D416 I417 V422 T423 | D416-S419 CarbonylContact O-C 3.57Å; D416-S419 WeakPolarHBondContact O-CA 3.31Å; D416-S419 VanDerWaalsContact O-CB 3.26Å; D416-S419 WeakPolarHBondContact O-CB 3.32Å; D416-S419 PolarHBondContact O-N 2.93Å; I417-S419 VanDerWaalsContact C-N 3.34Å; S419-V422 PolarHBondContact O-N 3.14Å; S419-T423 WeakPolarHBondContact O-CB 3.45Å; S419-T423 PolarHBondContact O-N 2.83Å; S419-T423 PolarHBondContact O-OG1 3.45Å |
| 420 | L | 62.8 | Low | 54 | Low | 13 Ų | 13 | 66.2 Ų | 66.2 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.9 | -49.4 | 178.1 | -171.6 | 92.4 | 0 | 0 | 0 | 112.2 | V397 F399 V415 D416 I417 I418 V422 T423 H424 I447 | V397-L420 HydrophobicContact CG1-CD1 4.3Å; V397-L420 HydrophobicContact CG1-CD2 4.02Å; V397-L420 HydrophobicContact CG2-CD1 3.81Å; V397-L420 HydrophobicContact CG2-CD2 4.12Å; F399-L420 HydrophobicContact CE1-CD2 4.04Å; F399-L420 HydrophobicContact CZ-CD2 3.64Å; V415-L420 HydrophobicContact CG1-CB 3.87Å; V415-L420 HydrophobicContact CG1-CD1 3.69Å; V415-L420 HydrophobicContact CG1-CG 4.33Å; D416-L420 PolarHBondContact O-N 3.45Å; I417-L420 PolarHBondContact O-N 3.23Å; I418-L420 VanDerWaalsContact C-N 3.32Å; I418-L420 PolarHBondContact O-N 2.84Å; L420-V422 PolarHBondContact O-N 3.17Å; L420-T423 PolarHBondContact O-N 2.91Å; L420-H424 VanDerWaalsContact CD1-CE1 3.49Å; L420-H424 WeakPolarHBondContact CD1-CE1 3.12Å; L420-H424 PolarHBondContact O-N 2.88Å; L420-H424 PolarHBondContact O-ND1 3.37Å; L420-I447 HydrophobicContact CD2-CD1 3.4Å; L420-I447 HydrophobicContact CD2-CG1 3.64Å; L420-I447 HydrophobicContact CD2-CG2 4.22Å; L420-I447 HydrophobicContact CG-CD1 3.99Å |
| 421 | V | 69.9 | Low | 55.6 | Low | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.1 | -43.3 | 175.3 | 163.6 | 0 | 0 | 0 | 0 | 109.2 | I261 P350 I417 I418 A425 Q444 I447 | I261-V421 HydrophobicContact CG2-CG1 3.52Å; P350-V421 HydrophobicContact CB-CG2 4.44Å; P350-V421 HydrophobicContact CG-CG2 3.88Å; I417-V421 HydrophobicContact CG1-CG2 4.1Å; I417-V421 VanDerWaalsContact O-CB 3.29Å; I417-V421 WeakPolarHBondContact O-CB 3.34Å; I417-V421 WeakPolarHBondContact O-CG2 3.48Å; I417-V421 PolarHBondContact O-N 3.25Å; I418-V421 PolarHBondContact O-N 3.14Å; V421-A425 VanDerWaalsContact O-CB 3.25Å; V421-A425 WeakPolarHBondContact O-CB 2.85Å; V421-A425 PolarHBondContact O-N 3.33Å; V421-Q444 PolarHBondContact O-NE2 3Å; V421-I447 HydrophobicContact CG2-CG2 4.45Å |
| 422 | V | 71.4 | Confident | 57.8 | Low | 13 Ų | 13 | 65.8 Ų | 65.8 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.9 | -53.7 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 111 | R268 I418 S419 L420 H424 A425 T426 | R268-V422 VanDerWaalsContact CD-CG2 3.4Å; I418-V422 HydrophobicContact CG2-CG2 4.48Å; I418-V422 WeakPolarHBondContact O-CB 3.36Å; I418-V422 WeakPolarHBondContact O-CG2 3.42Å; I418-V422 PolarHBondContact O-N 3.25Å; S419-V422 PolarHBondContact O-N 3.14Å; L420-V422 PolarHBondContact O-N 3.17Å; V422-H424 PolarHBondContact O-N 3.48Å; V422-H424 VanDerWaalsContact O-N 3.17Å; V422-A425 WeakPolarHBondContact O-CA 3.26Å; V422-A425 WeakPolarHBondContact O-CB 3.43Å; V422-A425 PolarHBondContact O-N 3.33Å; V422-T426 HydrophobicContact CG1-CG2 4.25Å; V422-T426 VanDerWaalsContact O-CG2 3.28Å; V422-T426 WeakPolarHBondContact O-CG2 3.42Å; V422-T426 PolarHBondContact O-N 3.49Å; V422-T426 PolarHBondContact O-OG1 2.85Å |
| 423 | T | 67.9 | Low | 60 | Low | 74 Ų | 74 | 64.6 Ų | 64.6 | 45% | 0.454 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55 | -40.3 | -177.7 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | S419 L420 T426 S427 | S419-T423 WeakPolarHBondContact O-CB 3.45Å; S419-T423 PolarHBondContact O-N 2.83Å; S419-T423 PolarHBondContact O-OG1 3.45Å; L420-T423 PolarHBondContact O-N 2.91Å; T423-T426 PolarHBondContact O-N 3.46Å; T423-T426 PolarHBondContact O-OG1 3.44Å; T423-S427 PolarHBondContact O-N 3.04Å |
| 424 | H | 67.1 | Low | 62.2 | Low | 33 Ų | 33 | 63.2 Ų | 63.2 | 15% | 0.153 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -84.4 | -13 | 179.7 | -66.8 | 79.4 | 0 | 0 | 0 | 113.5 | L420 V422 K440 N443 Q444 I447 | L420-H424 VanDerWaalsContact CD1-CE1 3.49Å; L420-H424 WeakPolarHBondContact CD1-CE1 3.12Å; L420-H424 PolarHBondContact O-N 2.88Å; L420-H424 PolarHBondContact O-ND1 3.37Å; V422-H424 PolarHBondContact O-N 3.48Å; V422-H424 VanDerWaalsContact O-N 3.17Å; H424-K440 WeakPolarHBondContact O-CG 3.48Å; H424-N443 HydrophobicContact CB-CB 4.06Å; H424-Q444 VanDerWaalsContact C-NE2 3.26Å; H424-I447 HydrophobicContact CB-CD1 4.46Å |
| 425 | A | 58 | Low | 64.1 | Low | 6 Ų | 6 | 55.1 Ų | 55.1 | 5% | 0.05 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -82.8 | -25.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L343 V421 V422 K440 Q444 | L343-A425 HydrophobicContact CD1-CB 4.34Å; L343-A425 HydrophobicContact CD2-CB 4.48Å; V421-A425 VanDerWaalsContact O-CB 3.25Å; V421-A425 WeakPolarHBondContact O-CB 2.85Å; V421-A425 PolarHBondContact O-N 3.33Å; V422-A425 WeakPolarHBondContact O-CA 3.26Å; V422-A425 WeakPolarHBondContact O-CB 3.43Å; V422-A425 PolarHBondContact O-N 3.33Å; A425-K440 WeakPolarHBondContact O-CD 3.47Å; A425-K440 WeakPolarHBondContact O-CE 3.21Å; A425-K440 PolarHBondContact O-NZ 3.05Å; A425-Q444 VanDerWaalsContact N-NE2 3.17Å |
| 426 | T | 55.5 | Low | 65.7 | Low | 53 Ų | 53 | 53.8 Ų | 53.8 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -95.5 | -30.7 | -175.1 | 64.6 | 0 | 0 | 0 | 0 | 114 | E263 V422 T423 Q428 K440 | E263-T426 WeakPolarHBondContact OE2-CG2 3.34Å; V422-T426 HydrophobicContact CG1-CG2 4.25Å; V422-T426 VanDerWaalsContact O-CG2 3.28Å; V422-T426 WeakPolarHBondContact O-CG2 3.42Å; V422-T426 PolarHBondContact O-N 3.49Å; V422-T426 PolarHBondContact O-OG1 2.85Å; T423-T426 PolarHBondContact O-N 3.46Å; T423-T426 PolarHBondContact O-OG1 3.44Å; T426-Q428 PolarHBondContact O-N 3.28Å; T426-K440 PolarHBondContact O-NZ 3.47Å |
| 427 | S | 54.5 | Low | 66.9 | Low | 55 Ų | 55 | 51.4 Ų | 51.4 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | trans | -54.9 | 126.1 | -172.9 | -173.1 | 0 | 0 | 0 | 0 | 115.2 | T423 K440 | T423-S427 PolarHBondContact O-N 3.04Å; S427-K440 WeakPolarHBondContact O-CE 3.43Å | ||
| 428 | Q | 55.6 | Low | 68.1 | Low | 166 Ų | 166 | 51.4 Ų | 51.4 | 78% | 0.776 | 29% | 0.293 | S | S | * | . | trans | -104.4 | 129 | 172.3 | -69.1 | -178.5 | -10.7 | 0 | 0 | 109.6 | T426 | T426-Q428 PolarHBondContact O-N 3.28Š| ||
| 429 | V | 58.4 | Low | 69.1 | Low | 57 Ų | 57 | 50.3 Ų | 50.3 | 35% | 0.345 | 29% | 0.287 | S | S | . | . | trans | -125.3 | -31.5 | -172.3 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | M393 N436 | M393-V429 HydrophobicContact CE-CG1 3.23Å; M393-V429 HydrophobicContact SD-CG1 3.76Å; M393-V429 HydrophobicContact SD-CG2 4.27Å; V429-N436 PolarHBondContact N-OD1 3.37Å | ||
| 430 | F | 57.1 | Low | 69.9 | Low | 66 Ų | 66 | 48.9 Ų | 48.9 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -122.3 | 165.3 | -172.2 | -62 | -79.4 | 0 | 0 | 0 | 112.4 | S389 M393 V435 N436 I439 | S389-F430 VanDerWaalsContact OG-CE1 3.31Å; S389-F430 WeakPolarHBondContact OG-CE1 3.13Å; S389-F430 WeakPolarHBondContact OG-CZ 3.43Å; M393-F430 HydrophobicContact CE-CZ 4.32Å; F430-V435 HydrophobicContact CB-CG1 4.32Å; F430-V435 HydrophobicContact CD2-CG1 4.07Å; F430-V435 HydrophobicContact CG-CG1 4.1Å; F430-N436 WeakPolarHBondContact CA-OD1 3.36Å; F430-N436 WeakPolarHBondContact CB-OD1 3.11Å; F430-N436 PolarHBondContact N-OD1 2.9Å; F430-N436 PolarHBondContact O-ND2 2.79Å; F430-I439 HydrophobicContact CD2-CD1 3.45Å; F430-I439 VanDerWaalsContact CD2-CD1 3.45Å; F430-I439 HydrophobicContact CE2-CD1 3.11Å; F430-I439 HydrophobicContact CZ-CD1 4.07Å |
| 431 | S | 56.3 | Low | 71.3 | Confident | 119 Ų | 119 | 48.3 Ų | 48.3 | 83% | 0.832 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -76.9 | -27.5 | 177.8 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 432 | L | 69.2 | Low | 72.3 | Confident | 101 Ų | 101 | 48.4 Ų | 48.4 | 53% | 0.529 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -88.1 | 128.2 | 179.9 | -85.4 | 71.5 | 0 | 0 | 0 | 111.1 | E434 V435 N436 | L432-E434 PolarHBondContact O-N 3.39Å; L432-V435 HydrophobicContact CB-CB 4.27Å; L432-V435 HydrophobicContact CB-CG2 3.99Å; L432-V435 HydrophobicContact CD2-CG2 4.4Å; L432-V435 PolarHBondContact O-N 2.94Å; L432-N436 PolarHBondContact O-N 3.24Å; L432-N436 PolarHBondContact O-ND2 3.05Å |
| 433 | S | 74.3 | Confident | 73 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 178.7 | -165.7 | 0 | 0 | 0 | 0 | 112.3 | E339 V435 N436 E437 | E339-S433 PolarHBondContact OE2-OG 3.11Å; S433-V435 PolarHBondContact O-N 2.93Å; S433-N436 WeakPolarHBondContact O-CB 3.49Å; S433-N436 PolarHBondContact O-N 3.39Å; S433-E437 PolarHBondContact O-N 2.63Å |
| 434 | E | 79.7 | Confident | 74.1 | Confident | 118 Ų | 118 | 44.9 Ų | 44.9 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.9 | -39.4 | -176.6 | -64.7 | 178.4 | 177.3 | 0 | 0 | 112.7 | L432 E437 A438 | L432-E434 PolarHBondContact O-N 3.39Å; E434-E437 PolarHBondContact O-N 3.38Å; E434-A438 WeakPolarHBondContact O-CB 3.44Å; E434-A438 PolarHBondContact O-N 3.12Å |
| 435 | V | 80 | Confident | 75.4 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.8 | -40.6 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | F430 L432 S433 A438 I439 | F430-V435 HydrophobicContact CB-CG1 4.32Å; F430-V435 HydrophobicContact CD2-CG1 4.07Å; F430-V435 HydrophobicContact CG-CG1 4.1Å; L432-V435 HydrophobicContact CB-CB 4.27Å; L432-V435 HydrophobicContact CB-CG2 3.99Å; L432-V435 HydrophobicContact CD2-CG2 4.4Å; L432-V435 PolarHBondContact O-N 2.94Å; S433-V435 PolarHBondContact O-N 2.93Å; V435-A438 PolarHBondContact O-N 3.14Å; V435-I439 HydrophobicContact CG1-CD1 3.91Å; V435-I439 VanDerWaalsContact O-CG1 3.3Å; V435-I439 WeakPolarHBondContact O-CG1 3.32Å; V435-I439 PolarHBondContact O-N 3.47Å |
| 436 | N | 81.9 | Confident | 76.9 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 10% | 0.102 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 174.7 | -79 | -38.2 | 0 | 0 | 0 | 111.8 | V429 F430 L432 S433 I439 K440 | V429-N436 PolarHBondContact N-OD1 3.37Å; F430-N436 WeakPolarHBondContact CA-OD1 3.36Å; F430-N436 WeakPolarHBondContact CB-OD1 3.11Å; F430-N436 PolarHBondContact N-OD1 2.9Å; F430-N436 PolarHBondContact O-ND2 2.79Å; L432-N436 PolarHBondContact O-N 3.24Å; L432-N436 PolarHBondContact O-ND2 3.05Å; S433-N436 WeakPolarHBondContact O-CB 3.49Å; S433-N436 PolarHBondContact O-N 3.39Å; N436-I439 PolarHBondContact O-N 2.86Å; N436-K440 VanDerWaalsContact O-CG 3.24Å; N436-K440 WeakPolarHBondContact O-CG 3.18Å; N436-K440 PolarHBondContact O-N 3.45Å |
| 437 | E | 88.6 | Confident | 78.5 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 177.9 | -179 | -89.4 | 166.6 | 0 | 0 | 111.6 | E339 R342 R381 S433 E434 I439 K440 V441 | E339-E437 HydrophobicContact CB-CG 3.91Å; E339-E437 HydrophobicContact CG-CB 4.3Å; E339-E437 HydrophobicContact CG-CG 3.97Å; R342-E437 WeakPolarHBondContact CB-OE1 3.37Å; R342-E437 IonicContact CZ-OE1 3.37Å; R342-E437 IonicContact CZ-OE2 3.01Å; R342-E437 IonicContact NE-OE1 2.83Å; R342-E437 PolarHBondContact NE-OE1 3.37Å; R342-E437 IonicContact NE-OE2 3.51Å; R342-E437 PolarHBondContact NE-OE2 2.57Å; R342-E437 IonicContact NH2-OE1 3.17Å; R342-E437 PolarHBondContact NH2-OE1 3.37Å; R342-E437 IonicContact NH2-OE2 3.3Å; R342-E437 PolarHBondContact NH2-OE2 2.92Å; R381-E437 IonicContact NE-OE2 3.62Å; S433-E437 PolarHBondContact O-N 2.63Å; E434-E437 PolarHBondContact O-N 3.38Å; E437-I439 VanDerWaalsContact C-N 3.29Å; E437-I439 PolarHBondContact O-N 3.34Å; E437-K440 WeakPolarHBondContact O-CB 3.22Å; E437-K440 PolarHBondContact O-N 3.2Å; E437-K440 VanDerWaalsContact O-N 3.14Å; E437-V441 WeakPolarHBondContact O-CG2 3.33Å; E437-V441 PolarHBondContact O-N 3.19Å; E437-V441 WeakPolarHBondContact OE1-CG2 3.38Å |
| 438 | A | 88.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.8 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A378 R381 I382 E434 V435 V441 I442 | A378-A438 HydrophobicContact CB-CB 4.46Å; R381-A438 HydrophobicContact CB-CB 4.27Å; I382-A438 HydrophobicContact CD1-CB 4.2Å; I382-A438 HydrophobicContact CG1-CB 3.8Å; E434-A438 WeakPolarHBondContact O-CB 3.44Å; E434-A438 PolarHBondContact O-N 3.12Å; V435-A438 PolarHBondContact O-N 3.14Å; A438-V441 PolarHBondContact O-N 3.16Å; A438-I442 VanDerWaalsContact O-CG1 3.27Å; A438-I442 WeakPolarHBondContact O-CG1 3.38Å; A438-I442 PolarHBondContact O-N 3.2Å |
| 439 | I | 85.1 | Confident | 82.2 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 177.6 | -70.6 | 172.6 | 0 | 0 | 0 | 111.6 | I382 F430 V435 N436 E437 V441 I442 N443 | I382-I439 HydrophobicContact CD1-CG1 3.92Å; F430-I439 HydrophobicContact CD2-CD1 3.45Å; F430-I439 VanDerWaalsContact CD2-CD1 3.45Å; F430-I439 HydrophobicContact CE2-CD1 3.11Å; F430-I439 HydrophobicContact CZ-CD1 4.07Å; V435-I439 HydrophobicContact CG1-CD1 3.91Å; V435-I439 VanDerWaalsContact O-CG1 3.3Å; V435-I439 WeakPolarHBondContact O-CG1 3.32Å; V435-I439 PolarHBondContact O-N 3.47Å; N436-I439 PolarHBondContact O-N 2.86Å; E437-I439 VanDerWaalsContact C-N 3.29Å; E437-I439 PolarHBondContact O-N 3.34Å; I439-V441 PolarHBondContact O-N 2.64Å; I439-I442 PolarHBondContact O-N 3.38Å; I439-N443 WeakPolarHBondContact O-CB 3.27Å; I439-N443 VanDerWaalsContact O-CG 3.26Å; I439-N443 PolarHBondContact O-N 2.83Å; I439-N443 PolarHBondContact O-ND2 2.47Å |
| 440 | K | 87.2 | Confident | 83.7 | Confident | 31 Ų | 31 | 27.5 Ų | 27.5 | 14% | 0.135 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 173.4 | -69.2 | 169.2 | 169.8 | -157 | 0 | 110.6 | L343 H424 A425 T426 S427 N436 E437 I442 N443 Q444 | L343-K440 HydrophobicContact CD1-CB 3.73Å; L343-K440 HydrophobicContact CD2-CD 4.32Å; H424-K440 WeakPolarHBondContact O-CG 3.48Å; A425-K440 WeakPolarHBondContact O-CD 3.47Å; A425-K440 WeakPolarHBondContact O-CE 3.21Å; A425-K440 PolarHBondContact O-NZ 3.05Å; T426-K440 PolarHBondContact O-NZ 3.47Å; S427-K440 WeakPolarHBondContact O-CE 3.43Å; N436-K440 VanDerWaalsContact O-CG 3.24Å; N436-K440 WeakPolarHBondContact O-CG 3.18Å; N436-K440 PolarHBondContact O-N 3.45Å; E437-K440 WeakPolarHBondContact O-CB 3.22Å; E437-K440 PolarHBondContact O-N 3.2Å; E437-K440 VanDerWaalsContact O-N 3.14Å; K440-I442 PolarHBondContact O-N 3.22Å; K440-N443 PolarHBondContact O-N 3.37Å; K440-Q444 VanDerWaalsContact O-CG 3.32Å; K440-Q444 WeakPolarHBondContact O-CG 3.43Å; K440-Q444 PolarHBondContact O-N 2.82Å |
| 441 | V | 91.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 176.7 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | R342 L343 A346 A378 E437 A438 I439 N443 Q444 L445 | R342-V441 HydrophobicContact CB-CG2 4.38Å; L343-V441 HydrophobicContact CD1-CG2 4.45Å; A346-V441 HydrophobicContact CB-CG1 4.09Å; A346-V441 HydrophobicContact CB-CG2 4.39Å; A378-V441 HydrophobicContact CB-CB 4.4Å; A378-V441 HydrophobicContact CB-CG1 4.05Å; E437-V441 WeakPolarHBondContact O-CG2 3.33Å; E437-V441 PolarHBondContact O-N 3.19Å; E437-V441 WeakPolarHBondContact OE1-CG2 3.38Å; A438-V441 PolarHBondContact O-N 3.16Å; I439-V441 PolarHBondContact O-N 2.64Å; V441-N443 VanDerWaalsContact C-N 3.31Å; V441-N443 PolarHBondContact O-N 3.15Å; V441-Q444 PolarHBondContact O-N 3.22Å; V441-L445 HydrophobicContact CG1-CD1 3.83Å; V441-L445 HydrophobicContact CG1-CG 4.2Å; V441-L445 WeakPolarHBondContact O-CB 3.49Å; V441-L445 WeakPolarHBondContact O-CG 3.46Å; V441-L445 PolarHBondContact O-N 2.71Å |
| 442 | I | 89.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 176.8 | -71.8 | 168 | 0 | 0 | 0 | 110.8 | L375 A378 L379 I382 L390 M394 A438 I439 K440 Q444 L445 F446 | L375-I442 HydrophobicContact CD2-CB 4.3Å; L375-I442 HydrophobicContact CD2-CG1 4.19Å; L375-I442 HydrophobicContact CD2-CG2 4.11Å; A378-I442 HydrophobicContact CB-CD1 4.17Å; A378-I442 HydrophobicContact CB-CG1 3.71Å; L379-I442 HydrophobicContact CD2-CD1 3.82Å; L379-I442 HydrophobicContact CG-CD1 4.13Å; I382-I442 HydrophobicContact CD1-CD1 3.54Å; L390-I442 HydrophobicContact CD2-CD1 3.85Å; M394-I442 HydrophobicContact CE-CG2 3.54Å; A438-I442 VanDerWaalsContact O-CG1 3.27Å; A438-I442 WeakPolarHBondContact O-CG1 3.38Å; A438-I442 PolarHBondContact O-N 3.2Å; I439-I442 PolarHBondContact O-N 3.38Å; K440-I442 PolarHBondContact O-N 3.22Å; I442-Q444 PolarHBondContact O-N 3.07Å; I442-L445 PolarHBondContact O-N 3Å; I442-F446 VanDerWaalsContact O-CB 3.26Å; I442-F446 WeakPolarHBondContact O-CB 3.47Å; I442-F446 PolarHBondContact O-N 2.99Å |
| 443 | N | 87.6 | Confident | 88.1 | Confident | 14 Ų | 14 | 13.9 Ų | 13.9 | 8% | 0.075 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62 | -44 | 178.6 | -71.5 | -21.3 | 0 | 0 | 0 | 112 | H424 I439 K440 V441 F446 I447 | H424-N443 HydrophobicContact CB-CB 4.06Å; I439-N443 WeakPolarHBondContact O-CB 3.27Å; I439-N443 VanDerWaalsContact O-CG 3.26Å; I439-N443 PolarHBondContact O-N 2.83Å; I439-N443 PolarHBondContact O-ND2 2.47Å; K440-N443 PolarHBondContact O-N 3.37Å; V441-N443 VanDerWaalsContact C-N 3.31Å; V441-N443 PolarHBondContact O-N 3.15Å; N443-F446 PolarHBondContact O-N 3.42Å; N443-I447 WeakPolarHBondContact O-CD1 3.33Å; N443-I447 VanDerWaalsContact O-CG1 3.25Å; N443-I447 WeakPolarHBondContact O-CG1 3.31Å; N443-I447 PolarHBondContact O-N 3.06Å |
| 444 | Q | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 177.6 | -62.8 | -55.2 | -37.3 | 0 | 0 | 112.5 | L343 A346 S347 V421 H424 A425 K440 V441 I442 F446 I447 A448 | L343-Q444 HydrophobicContact CD1-CG 4.38Å; A346-Q444 HydrophobicContact CB-CB 3.81Å; A346-Q444 HydrophobicContact CB-CG 4.42Å; S347-Q444 WeakPolarHBondContact OG-CG 3.35Å; V421-Q444 PolarHBondContact O-NE2 3Å; H424-Q444 VanDerWaalsContact C-NE2 3.26Å; A425-Q444 VanDerWaalsContact N-NE2 3.17Å; K440-Q444 VanDerWaalsContact O-CG 3.32Å; K440-Q444 WeakPolarHBondContact O-CG 3.43Å; K440-Q444 PolarHBondContact O-N 2.82Å; V441-Q444 PolarHBondContact O-N 3.22Å; I442-Q444 PolarHBondContact O-N 3.07Å; Q444-F446 VanDerWaalsContact C-N 3.34Å; Q444-I447 PolarHBondContact O-N 3.2Å; Q444-A448 PolarHBondContact O-N 3.14Å |
| 445 | L | 94.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -70.3 | -32 | 178.4 | -70.5 | -174.8 | 0 | 0 | 0 | 112.2 | L334 A346 I349 I371 G374 L375 V441 I442 A448 A449 | L334-L445 HydrophobicContact CD1-CD1 4.37Å; L334-L445 HydrophobicContact CD1-CD2 3.99Å; L334-L445 HydrophobicContact CD2-CD1 4.43Å; L334-L445 HydrophobicContact CD2-CD2 3.97Å; A346-L445 HydrophobicContact CB-CD2 4.15Å; A346-L445 HydrophobicContact CB-CG 4.22Å; I349-L445 HydrophobicContact CD1-CD2 4.19Å; I371-L445 HydrophobicContact CG1-CD2 4.39Å; I371-L445 HydrophobicContact CG2-CB 4.13Å; I371-L445 HydrophobicContact CG2-CD2 4.47Å; G374-L445 VanDerWaalsContact C-CD1 3.49Å; L375-L445 HydrophobicContact CD2-CB 3.76Å; L375-L445 HydrophobicContact CD2-CD1 4.28Å; L375-L445 HydrophobicContact CG-CB 3.99Å; L375-L445 HydrophobicContact CG-CD1 4.08Å; V441-L445 HydrophobicContact CG1-CD1 3.83Å; V441-L445 HydrophobicContact CG1-CG 4.2Å; V441-L445 WeakPolarHBondContact O-CB 3.49Å; V441-L445 WeakPolarHBondContact O-CG 3.46Å; V441-L445 PolarHBondContact O-N 2.71Å; I442-L445 PolarHBondContact O-N 3Å; L445-A448 WeakPolarHBondContact O-CB 3.44Å; L445-A448 PolarHBondContact O-N 3.38Å; L445-A449 PolarHBondContact O-N 3.3Å |
| 446 | F | 89.8 | Confident | 89.6 | Confident | 3 Ų | 3 | 5.3 Ų | 5.3 | 1% | 0.013 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | 171.5 | -169.8 | -106.9 | 0 | 0 | 0 | 111.5 | M394 I442 N443 Q444 A448 A449 Q450 S489 G490 | M394-F446 HydrophobicContact CE-CB 4.17Å; M394-F446 HydrophobicContact CE-CD2 3.6Å; M394-F446 HydrophobicContact CE-CE2 4.11Å; M394-F446 HydrophobicContact CE-CG 3.95Å; M394-F446 HydrophobicContact SD-CD2 4.07Å; M394-F446 HydrophobicContact SD-CE2 3.97Å; M394-F446 HydrophobicContact SD-CZ 4.34Å; I442-F446 VanDerWaalsContact O-CB 3.26Å; I442-F446 WeakPolarHBondContact O-CB 3.47Å; I442-F446 PolarHBondContact O-N 2.99Å; N443-F446 PolarHBondContact O-N 3.42Å; Q444-F446 VanDerWaalsContact C-N 3.34Å; F446-A448 VanDerWaalsContact C-N 3.31Å; F446-A448 PolarHBondContact O-N 2.83Å; F446-A449 WeakPolarHBondContact O-CB 3.17Å; F446-A449 PolarHBondContact O-N 3.37Å; F446-Q450 HydrophobicContact CD1-CG 4.46Å; F446-Q450 HydrophobicContact CE1-CG 4.36Å; F446-Q450 WeakPolarHBondContact O-CG 3.47Å; F446-Q450 PolarHBondContact O-N 3.4Å; F446-S489 WeakPolarHBondContact CE2-OG 3.37Å; F446-G490 VanDerWaalsContact CE2-CA 3.42Å |
| 447 | I | 89 | Confident | 90 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.005 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59 | -44.3 | 171.4 | -67 | 159.6 | 0 | 0 | 0 | 110.3 | P350 F399 I417 L420 V421 H424 N443 Q444 A449 Q450 V451 | P350-I447 HydrophobicContact CB-CG2 3.95Å; P350-I447 HydrophobicContact CG-CG2 4.48Å; F399-I447 HydrophobicContact CE2-CG2 4.36Å; F399-I447 HydrophobicContact CZ-CG2 4.03Å; I417-I447 HydrophobicContact CD1-CG2 4.27Å; I417-I447 HydrophobicContact CG1-CG2 4.35Å; L420-I447 HydrophobicContact CD2-CD1 3.4Å; L420-I447 HydrophobicContact CD2-CG1 3.64Å; L420-I447 HydrophobicContact CD2-CG2 4.22Å; L420-I447 HydrophobicContact CG-CD1 3.99Å; V421-I447 HydrophobicContact CG2-CG2 4.45Å; H424-I447 HydrophobicContact CB-CD1 4.46Å; N443-I447 WeakPolarHBondContact O-CD1 3.33Å; N443-I447 VanDerWaalsContact O-CG1 3.25Å; N443-I447 WeakPolarHBondContact O-CG1 3.31Å; N443-I447 PolarHBondContact O-N 3.06Å; Q444-I447 PolarHBondContact O-N 3.2Å; I447-A449 VanDerWaalsContact C-N 3.33Å; I447-A449 PolarHBondContact O-N 3.5Å; I447-Q450 PolarHBondContact O-N 3.49Å; I447-V451 HydrophobicContact CG2-CG2 4.31Å; I447-V451 VanDerWaalsContact O-CG2 3.31Å; I447-V451 WeakPolarHBondContact O-CG2 3.27Å; I447-V451 PolarHBondContact O-N 3.44Å |
| 448 | A | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I349 P350 I353 I371 Q444 L445 F446 V451 L452 | I349-A448 HydrophobicContact CG2-CB 3.79Å; P350-A448 HydrophobicContact CB-CB 4.19Å; I353-A448 HydrophobicContact CD1-CB 4.17Å; I371-A448 HydrophobicContact CD1-CB 4.02Å; Q444-A448 PolarHBondContact O-N 3.14Å; L445-A448 WeakPolarHBondContact O-CB 3.44Å; L445-A448 PolarHBondContact O-N 3.38Å; F446-A448 VanDerWaalsContact C-N 3.31Å; F446-A448 PolarHBondContact O-N 2.83Å; A448-V451 PolarHBondContact O-N 3.47Å; A448-L452 VanDerWaalsContact O-CB 3.27Å; A448-L452 WeakPolarHBondContact O-CB 3.5Å; A448-L452 PolarHBondContact O-N 2.87Å |
| 449 | A | 94 | Very high | 90 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L445 F446 I447 L452 G453 L487 | L445-A449 PolarHBondContact O-N 3.3Å; F446-A449 WeakPolarHBondContact O-CB 3.17Å; F446-A449 PolarHBondContact O-N 3.37Å; I447-A449 VanDerWaalsContact C-N 3.33Å; I447-A449 PolarHBondContact O-N 3.5Å; A449-L452 PolarHBondContact O-N 2.84Å; A449-G453 PolarHBondContact O-N 3.34Å; A449-L487 HydrophobicContact CB-CD1 3.72Å |
| 450 | Q | 90.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 176.2 | -71.9 | -177.2 | -13.3 | 0 | 0 | 112.6 | V397 F399 F446 I447 L452 G453 C454 G490 H493 G494 | V397-Q450 PolarHBondContact O-NE2 3.23Å; V397-Q450 PolarHBondContact O-OE1 2.67Å; F399-Q450 HydrophobicContact CD2-CB 4.12Å; F399-Q450 HydrophobicContact CE2-CB 3.94Å; F446-Q450 HydrophobicContact CD1-CG 4.46Å; F446-Q450 HydrophobicContact CE1-CG 4.36Å; F446-Q450 WeakPolarHBondContact O-CG 3.47Å; F446-Q450 PolarHBondContact O-N 3.4Å; I447-Q450 PolarHBondContact O-N 3.49Å; Q450-L452 VanDerWaalsContact C-N 3.3Å; Q450-L452 PolarHBondContact O-N 3.42Å; Q450-G453 PolarHBondContact O-N 2.72Å; Q450-C454 WeakPolarHBondContact O-CB 3.13Å; Q450-C454 PolarHBondContact O-N 3.23Å; Q450-G490 WeakPolarHBondContact CA-O 3.32Å; Q450-G490 WeakPolarHBondContact CG-O 3.47Å; Q450-H493 HydrophobicContact CG-CB 4.08Å; Q450-H493 VanDerWaalsContact NE2-CG 3.33Å; Q450-H493 PolarHBondContact NE2-ND1 3.06Å; Q450-G494 WeakPolarHBondContact O-CA 3.46Å |
| 451 | V | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 110 | I353 L354 F399 I417 I447 A448 C454 M455 | I353-V451 HydrophobicContact CB-CG1 4.21Å; I353-V451 HydrophobicContact CG2-CB 4.36Å; I353-V451 HydrophobicContact CG2-CG1 3.79Å; L354-V451 HydrophobicContact CB-CG1 4.28Å; L354-V451 HydrophobicContact CD1-CG1 4.28Å; F399-V451 HydrophobicContact CE2-CG2 4.38Å; I417-V451 HydrophobicContact CD1-CG2 3.43Å; I417-V451 VanDerWaalsContact CD1-CG2 3.43Å; I447-V451 HydrophobicContact CG2-CG2 4.31Å; I447-V451 VanDerWaalsContact O-CG2 3.31Å; I447-V451 WeakPolarHBondContact O-CG2 3.27Å; I447-V451 PolarHBondContact O-N 3.44Å; A448-V451 PolarHBondContact O-N 3.47Å; V451-C454 WeakPolarHBondContact O-CB 3.21Å; V451-C454 PolarHBondContact O-N 2.84Å; V451-M455 HydrophobicContact CG1-CE 4.35Å; V451-M455 HydrophobicContact CG1-CG 4.44Å; V451-M455 WeakPolarHBondContact O-CG 2.93Å; V451-M455 PolarHBondContact O-N 3.44Å; V451-M455 VanDerWaalsContact O-N 3.09Å |
| 452 | L | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 176.3 | -170.9 | 62 | 0 | 0 | 0 | 111.9 | I353 A360 L367 L368 I371 A448 A449 Q450 C454 M455 I456 L491 | I353-L452 HydrophobicContact CD1-CB 4.31Å; I353-L452 HydrophobicContact CG2-CB 4.33Å; I353-L452 HydrophobicContact CG2-CD1 4.08Å; A360-L452 HydrophobicContact CB-CD1 4.34Å; L367-L452 HydrophobicContact CB-CD2 4Å; L367-L452 HydrophobicContact CD1-CD1 3.82Å; L367-L452 HydrophobicContact CD1-CD2 4.46Å; L368-L452 HydrophobicContact CD2-CD2 4.09Å; I371-L452 HydrophobicContact CD1-CD2 4.37Å; A448-L452 VanDerWaalsContact O-CB 3.27Å; A448-L452 WeakPolarHBondContact O-CB 3.5Å; A448-L452 PolarHBondContact O-N 2.87Å; A449-L452 PolarHBondContact O-N 2.84Å; Q450-L452 VanDerWaalsContact C-N 3.3Å; Q450-L452 PolarHBondContact O-N 3.42Å; L452-C454 PolarHBondContact O-N 2.74Å; L452-M455 PolarHBondContact O-N 2.65Å; L452-I456 HydrophobicContact CD1-CG1 3.62Å; L452-I456 HydrophobicContact CG-CG1 4.27Å; L452-I456 WeakPolarHBondContact O-CB 3.33Å; L452-I456 WeakPolarHBondContact O-CG1 3.32Å; L452-I456 PolarHBondContact O-N 3Å; L452-L491 HydrophobicContact CB-CD2 4.12Å; L452-L491 HydrophobicContact CD2-CD2 4.1Å; L452-L491 HydrophobicContact CG-CD2 4.11Å |
| 453 | G | 91 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.8 | -25 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A449 Q450 S495 | A449-G453 PolarHBondContact O-N 3.34Å; Q450-G453 PolarHBondContact O-N 2.72Å; G453-S495 WeakPolarHBondContact O-CA 3.35Å; G453-S495 PolarHBondContact O-OG 2.94Å |
| 454 | C | 88 | Confident | 91.1 | Very high | 10 Ų | 10 | 21 Ų | 21 | 7% | 0.068 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -76.2 | -40.4 | 173.9 | 155.6 | 0 | 0 | 0 | 0 | 112.3 | H303 Q450 V451 L452 G494 | H303-C454 PolarHBondContact O-SG 2.89Å; Q450-C454 WeakPolarHBondContact O-CB 3.13Å; Q450-C454 PolarHBondContact O-N 3.23Å; V451-C454 WeakPolarHBondContact O-CB 3.21Å; V451-C454 PolarHBondContact O-N 2.84Å; L452-C454 PolarHBondContact O-N 2.74Å; C454-G494 WeakPolarHBondContact CA-O 3.43Å |
| 455 | M | 87.4 | Confident | 91.2 | Very high | 12 Ų | 12 | 21 Ų | 21 | 6% | 0.059 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -85.2 | -25.3 | -176.3 | -60.9 | -57.5 | 169.8 | 0 | 0 | 113.9 | Y304 P305 L354 E357 V451 L452 | Y304-M455 HydrophobicContact CD2-CE 3.7Å; Y304-M455 HydrophobicContact CE2-CE 3.87Å; P305-M455 HydrophobicContact CG-CE 4Å; L354-M455 HydrophobicContact CD1-CE 4.03Å; E357-M455 HydrophobicContact CB-SD 4.26Å; V451-M455 HydrophobicContact CG1-CE 4.35Å; V451-M455 HydrophobicContact CG1-CG 4.44Å; V451-M455 WeakPolarHBondContact O-CG 2.93Å; V451-M455 PolarHBondContact O-N 3.44Å; V451-M455 VanDerWaalsContact O-N 3.09Å; L452-M455 PolarHBondContact O-N 2.65Å |
| 456 | I | 90.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -115 | 131.6 | -172.5 | -53.4 | -60.7 | 0 | 0 | 0 | 110.8 | A360 T361 T364 L452 T458 F460 W461 Q499 | A360-I456 HydrophobicContact CB-CD1 4.04Å; T361-I456 VanDerWaalsContact N-CD1 3.27Å; T361-I456 WeakPolarHBondContact OG1-CD1 3.39Å; T364-I456 HydrophobicContact CG2-CG2 4.44Å; L452-I456 HydrophobicContact CD1-CG1 3.62Å; L452-I456 HydrophobicContact CG-CG1 4.27Å; L452-I456 WeakPolarHBondContact O-CB 3.33Å; L452-I456 WeakPolarHBondContact O-CG1 3.32Å; L452-I456 PolarHBondContact O-N 3Å; I456-T458 PolarHBondContact O-N 3.24Å; I456-F460 HydrophobicContact CG2-CB 4.25Å; I456-F460 HydrophobicContact CG2-CD1 3.88Å; I456-W461 HydrophobicContact CG2-CB 4.45Å; I456-W461 PolarHBondContact O-NE1 2.92Å; I456-Q499 PolarHBondContact O-OE1 3.08Å |
| 457 | S | 88.7 | Confident | 91.3 | Very high | 41 Ų | 41 | 27.1 Ų | 27.1 | 29% | 0.287 | 14% | 0.136 | S | C | . | . | trans | -52.8 | 131.2 | 175.4 | 177.4 | 0 | 0 | 0 | 0 | 112.7 | K459 F460 W461 | S457-K459 PolarHBondContact O-N 2.92Å; S457-K459 VanDerWaalsContact O-N 3.16Å; S457-F460 WeakPolarHBondContact O-CB 3.48Å; S457-F460 PolarHBondContact O-N 2.89Å; S457-W461 PolarHBondContact O-N 3.46Å | ||
| 458 | T | 89.8 | Confident | 91.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -48.8 | -41.4 | 175.7 | -50.5 | 0 | 0 | 0 | 0 | 113 | I456 F460 W461 W462 S495 L500 T571 I575 | I456-T458 PolarHBondContact O-N 3.24Å; T458-F460 PolarHBondContact O-N 2.83Å; T458-W461 VanDerWaalsContact CA-CE2 3.49Å; T458-W461 VanDerWaalsContact CA-NE1 3.34Å; T458-W461 HydrophobicContact CG2-CH2 3.71Å; T458-W461 HydrophobicContact CG2-CZ2 3.37Å; T458-W462 WeakPolarHBondContact O-CB 3.42Å; T458-W462 PolarHBondContact O-N 3.02Å; T458-S495 WeakPolarHBondContact OG1-CB 3.41Å; T458-S495 PolarHBondContact OG1-OG 3.07Å; T458-L500 HydrophobicContact CG2-CD2 3.85Å; T458-T571 HydrophobicContact CG2-CG2 3.54Å; T458-I575 HydrophobicContact CG2-CD1 4.24Å |
| 459 | K | 86.8 | Confident | 91.3 | Very high | 92 Ų | 92 | 27.7 Ų | 27.7 | 40% | 0.4 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -59.4 | -36.6 | 179.1 | 178.7 | 169.8 | 173.5 | 164.9 | 0 | 112.7 | S457 H463 D504 | S457-K459 PolarHBondContact O-N 2.92Å; S457-K459 VanDerWaalsContact O-N 3.16Å; K459-H463 PolarHBondContact O-N 2.85Å; K459-D504 WeakPolarHBondContact CE-OD1 3.41Å; K459-D504 IonicContact NZ-OD1 2.9Å; K459-D504 PolarHBondContact NZ-OD1 3.28Å |
| 460 | F | 90.9 | Very high | 91.1 | Very high | 88 Ų | 88 | 30.3 Ų | 30.3 | 39% | 0.386 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -77.1 | -53.3 | -175.4 | -172.8 | -106.3 | 0 | 0 | 0 | 111.6 | T361 T364 I456 S457 T458 W462 H463 L464 | T361-F460 HydrophobicContact CG2-CD1 4.01Å; T361-F460 HydrophobicContact CG2-CE1 3.68Å; T361-F460 HydrophobicContact CG2-CZ 4Å; T361-F460 WeakPolarHBondContact O-CE1 3.4Å; T364-F460 HydrophobicContact CG2-CD1 4.07Å; T364-F460 HydrophobicContact CG2-CE1 4.08Å; I456-F460 HydrophobicContact CG2-CB 4.25Å; I456-F460 HydrophobicContact CG2-CD1 3.88Å; S457-F460 WeakPolarHBondContact O-CB 3.48Å; S457-F460 PolarHBondContact O-N 2.89Å; T458-F460 PolarHBondContact O-N 2.83Å; F460-W462 VanDerWaalsContact C-N 3.29Å; F460-W462 PolarHBondContact O-N 2.74Å; F460-H463 PolarHBondContact O-N 3.42Å; F460-L464 HydrophobicContact CD1-CD1 4.19Å; F460-L464 HydrophobicContact CE1-CD1 3.77Å; F460-L464 HydrophobicContact CZ-CD1 4.07Å; F460-L464 PolarHBondContact O-N 3.41Å |
| 461 | W | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.1 | -29.4 | -179.6 | 61.8 | -113.4 | 0 | 0 | 0 | 112.2 | T364 L368 I456 S457 T458 L464 L465 L488 L491 F492 S495 I575 | T364-W461 HydrophobicContact CG2-CB 4.03Å; L368-W461 HydrophobicContact CD1-CB 4.22Å; I456-W461 HydrophobicContact CG2-CB 4.45Å; I456-W461 PolarHBondContact O-NE1 2.92Å; S457-W461 PolarHBondContact O-N 3.46Å; T458-W461 VanDerWaalsContact CA-CE2 3.49Å; T458-W461 VanDerWaalsContact CA-NE1 3.34Å; T458-W461 HydrophobicContact CG2-CH2 3.71Å; T458-W461 HydrophobicContact CG2-CZ2 3.37Å; W461-L464 PolarHBondContact O-N 3.17Å; W461-L465 HydrophobicContact CE3-CD2 4.32Å; W461-L465 HydrophobicContact CZ3-CD2 4.39Å; W461-L465 VanDerWaalsContact O-CB 3.25Å; W461-L465 WeakPolarHBondContact O-CB 3.43Å; W461-L465 PolarHBondContact O-N 3.32Å; W461-L488 HydrophobicContact CH2-CD1 4.08Å; W461-L488 HydrophobicContact CZ3-CD1 3.72Å; W461-L491 HydrophobicContact CD2-CB 4.36Å; W461-L491 HydrophobicContact CD2-CD1 4.09Å; W461-L491 HydrophobicContact CD2-CD2 4.41Å; W461-L491 HydrophobicContact CE3-CB 4.44Å; W461-L491 HydrophobicContact CE3-CD1 3.85Å; W461-L491 HydrophobicContact CG-CD2 4.33Å; W461-L491 HydrophobicContact CH2-CB 4.25Å; W461-L491 HydrophobicContact CZ2-CB 4.05Å; W461-L491 HydrophobicContact CZ3-CB 4.41Å; W461-L491 HydrophobicContact CZ3-CD1 4.33Å; W461-F492 AromaticContact CH2-CD1 3.74Å; W461-F492 HydrophobicContact CH2-CD1 3.74Å; W461-F492 AromaticContact CH2-CE1 3.87Å; W461-F492 HydrophobicContact CH2-CE1 3.87Å; W461-F492 HydrophobicContact CZ2-CD1 4.24Å; W461-S495 WeakPolarHBondContact CZ2-OG 3.4Å; W461-S495 PolarHBondContact NE1-OG 3.47Å; W461-I575 HydrophobicContact CH2-CD1 3.98Å; W461-I575 HydrophobicContact CZ3-CD1 4.25Å |
| 462 | W | 93.8 | Very high | 90.9 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | 176 | 176.5 | -108.5 | 0 | 0 | 0 | 111.7 | T458 F460 L464 L465 E466 L469 L488 I575 Y578 | T458-W462 WeakPolarHBondContact O-CB 3.42Å; T458-W462 PolarHBondContact O-N 3.02Å; F460-W462 VanDerWaalsContact C-N 3.29Å; F460-W462 PolarHBondContact O-N 2.74Å; W462-L464 PolarHBondContact O-N 2.95Å; W462-L464 VanDerWaalsContact O-N 3.11Å; W462-L465 PolarHBondContact O-N 3.48Å; W462-E466 HydrophobicContact CD2-CB 4.21Å; W462-E466 HydrophobicContact CH2-CB 4.17Å; W462-E466 HydrophobicContact CH2-CG 4.41Å; W462-E466 HydrophobicContact CZ2-CB 3.79Å; W462-E466 HydrophobicContact CZ2-CG 3.82Å; W462-E466 PolarHBondContact NE1-OE2 3.18Å; W462-E466 WeakPolarHBondContact O-CB 3.24Å; W462-E466 PolarHBondContact O-N 2.95Å; W462-L469 HydrophobicContact CH2-CD1 4.44Å; W462-L469 HydrophobicContact CZ3-CD1 4.07Å; W462-L488 HydrophobicContact CE3-CD1 4.34Å; W462-L488 HydrophobicContact CZ3-CD1 4.11Å; W462-L488 HydrophobicContact CZ3-CD2 4.44Å; W462-I575 HydrophobicContact CB-CD1 4.42Å; W462-I575 HydrophobicContact CD2-CD1 3.76Å; W462-I575 HydrophobicContact CD2-CG1 3.43Å; W462-I575 VanDerWaalsContact CD2-CG1 3.43Å; W462-I575 HydrophobicContact CE3-CB 4.47Å; W462-I575 HydrophobicContact CE3-CD1 3.69Å; W462-I575 HydrophobicContact CE3-CG1 3.51Å; W462-I575 HydrophobicContact CE3-CG2 4.2Å; W462-I575 HydrophobicContact CG-CD1 4.08Å; W462-I575 HydrophobicContact CG-CG1 4.06Å; W462-I575 HydrophobicContact CH2-CB 4.14Å; W462-I575 HydrophobicContact CH2-CG1 3.84Å; W462-I575 HydrophobicContact CH2-CG2 3.75Å; W462-I575 HydrophobicContact CZ2-CB 4.35Å; W462-I575 HydrophobicContact CZ2-CG1 3.79Å; W462-I575 HydrophobicContact CZ2-CG2 4.46Å; W462-I575 HydrophobicContact CZ3-CB 4.2Å; W462-I575 HydrophobicContact CZ3-CD1 4.24Å; W462-I575 HydrophobicContact CZ3-CG1 3.71Å; W462-I575 HydrophobicContact CZ3-CG2 3.61Å; W462-Y578 AromaticContact CH2-CD1 3.68Å; W462-Y578 HydrophobicContact CH2-CD1 3.68Å; W462-Y578 HydrophobicContact CH2-CE1 4.25Å; W462-Y578 AromaticContact CH2-CG 3.87Å; W462-Y578 HydrophobicContact CH2-CG 3.87Å; W462-Y578 HydrophobicContact CZ2-CD1 4.38Å; W462-Y578 HydrophobicContact CZ2-CG 4.11Å |
| 463 | H | 91.7 | Very high | 90.3 | Very high | 138 Ų | 138 | 40 Ų | 40 | 64% | 0.639 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -59.1 | -26.5 | 178 | -173.3 | -60.2 | 0 | 0 | 0 | 112.7 | K459 F460 P467 | K459-H463 PolarHBondContact O-N 2.85Å; F460-H463 PolarHBondContact O-N 3.42Å; H463-P467 WeakPolarHBondContact O-CD 3.49Å |
| 464 | L | 94.5 | Very high | 89.7 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 20% | 0.204 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -87.2 | -31.9 | 176.7 | -63.7 | 179.9 | 0 | 0 | 0 | 112.7 | T364 Q365 L368 F460 W461 W462 C468 | T364-L464 HydrophobicContact CG2-CD1 3.82Å; Q365-L464 HydrophobicContact CB-CD1 4.3Å; L368-L464 HydrophobicContact CD1-CB 3.68Å; L368-L464 HydrophobicContact CD1-CD1 4.37Å; F460-L464 HydrophobicContact CD1-CD1 4.19Å; F460-L464 HydrophobicContact CE1-CD1 3.77Å; F460-L464 HydrophobicContact CZ-CD1 4.07Å; F460-L464 PolarHBondContact O-N 3.41Å; W461-L464 PolarHBondContact O-N 3.17Å; W462-L464 PolarHBondContact O-N 2.95Å; W462-L464 VanDerWaalsContact O-N 3.11Å; L464-C468 PolarHBondContact O-SG 3.26Å |
| 465 | L | 94.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -85.1 | -37.4 | -175.2 | -175.3 | 60.2 | 0 | 0 | 0 | 113.1 | L368 W461 W462 C468 L469 L487 L488 L491 | L368-L465 HydrophobicContact CD1-CB 4.44Å; W461-L465 HydrophobicContact CE3-CD2 4.32Å; W461-L465 HydrophobicContact CZ3-CD2 4.39Å; W461-L465 VanDerWaalsContact O-CB 3.25Å; W461-L465 WeakPolarHBondContact O-CB 3.43Å; W461-L465 PolarHBondContact O-N 3.32Å; W462-L465 PolarHBondContact O-N 3.48Å; L465-C468 WeakPolarHBondContact O-CA 3.38Å; L465-C468 VanDerWaalsContact O-CB 3.31Å; L465-C468 WeakPolarHBondContact O-CB 3.22Å; L465-C468 PolarHBondContact O-N 3.48Å; L465-L469 HydrophobicContact CD2-CD1 4.35Å; L465-L469 HydrophobicContact CG-CD1 3.94Å; L465-L469 HydrophobicContact CG-CG 4.3Å; L465-L469 PolarHBondContact O-N 3.36Å; L465-L487 HydrophobicContact CD1-CD2 3.96Å; L465-L488 HydrophobicContact CD2-CB 4.05Å; L465-L488 HydrophobicContact CD2-CD1 3.9Å; L465-L491 HydrophobicContact CD2-CD1 3.8Å |
| 466 | E | 93.2 | Very high | 87.8 | Confident | 69 Ų | 69 | 54.4 Ų | 54.4 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -53.7 | -50.8 | -178.2 | 175.4 | 176.1 | -152 | 0 | 0 | 112.4 | W462 C468 L469 D470 | W462-E466 HydrophobicContact CD2-CB 4.21Å; W462-E466 HydrophobicContact CH2-CB 4.17Å; W462-E466 HydrophobicContact CH2-CG 4.41Å; W462-E466 HydrophobicContact CZ2-CB 3.79Å; W462-E466 HydrophobicContact CZ2-CG 3.82Å; W462-E466 PolarHBondContact NE1-OE2 3.18Å; W462-E466 WeakPolarHBondContact O-CB 3.24Å; W462-E466 PolarHBondContact O-N 2.95Å; E466-C468 PolarHBondContact O-N 3.4Å; E466-C468 VanDerWaalsContact O-N 3.11Å; E466-L469 PolarHBondContact O-N 3.07Å; E466-L469 VanDerWaalsContact O-N 3.08Å; E466-D470 PolarHBondContact O-N 2.8Å |
| 467 | P | 92.2 | Very high | 87.2 | Confident | 62 Ų | 62 | 56.1 Ų | 56.1 | 40% | 0.403 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.2 | -18 | 176.2 | -19.4 | 32.5 | 0 | 0 | 0 | 114.3 | H463 R471 | H463-P467 WeakPolarHBondContact O-CD 3.49Å; P467-R471 WeakPolarHBondContact O-CG 3.42Å; P467-R471 PolarHBondContact O-N 3.38Å; P467-R471 PolarHBondContact O-NE 3.32Å |
| 468 | C | 91.4 | Very high | 86.7 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 8% | 0.081 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -81.5 | -38.4 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 111 | L464 L465 E466 R471 C472 | L464-C468 PolarHBondContact O-SG 3.26Å; L465-C468 WeakPolarHBondContact O-CA 3.38Å; L465-C468 VanDerWaalsContact O-CB 3.31Å; L465-C468 WeakPolarHBondContact O-CB 3.22Å; L465-C468 PolarHBondContact O-N 3.48Å; E466-C468 PolarHBondContact O-N 3.4Å; E466-C468 VanDerWaalsContact O-N 3.11Å; C468-R471 PolarHBondContact SG-NH2 3.39Å; C468-C472 PolarHBondContact O-N 3.02Å; C468-C472 VanDerWaalsContact O-N 3.08Å; C468-C472 PolarHBondContact O-SG 3.25Å |
| 469 | L | 90.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 172.9 | -77.4 | 164 | 0 | 0 | 0 | 111 | W462 L465 E466 R471 C472 T473 L481 H484 L485 L488 Y578 | W462-L469 HydrophobicContact CH2-CD1 4.44Å; W462-L469 HydrophobicContact CZ3-CD1 4.07Å; L465-L469 HydrophobicContact CD2-CD1 4.35Å; L465-L469 HydrophobicContact CG-CD1 3.94Å; L465-L469 HydrophobicContact CG-CG 4.3Å; L465-L469 PolarHBondContact O-N 3.36Å; E466-L469 PolarHBondContact O-N 3.07Å; E466-L469 VanDerWaalsContact O-N 3.08Å; L469-R471 VanDerWaalsContact C-N 3.34Å; L469-R471 PolarHBondContact O-N 2.83Å; L469-C472 CarbonylContact O-C 3.55Å; L469-C472 WeakPolarHBondContact O-CA 3.35Å; L469-C472 WeakPolarHBondContact O-CB 3.35Å; L469-C472 PolarHBondContact O-N 3.36Å; L469-T473 WeakPolarHBondContact O-CG2 3.22Å; L469-T473 PolarHBondContact O-N 3.28Å; L469-T473 PolarHBondContact O-OG1 3.26Å; L469-L481 HydrophobicContact CD2-CD1 4.31Å; L469-H484 HydrophobicContact CD2-CB 3.59Å; L469-H484 HydrophobicContact CG-CB 4.36Å; L469-L485 HydrophobicContact CD2-CD2 4.27Å; L469-L488 HydrophobicContact CD1-CD2 4.16Å; L469-Y578 HydrophobicContact CB-CE1 3.94Å; L469-Y578 VanDerWaalsContact CB-OH 3.26Å; L469-Y578 WeakPolarHBondContact CB-OH 3.47Å; L469-Y578 HydrophobicContact CD1-CE1 4.01Å |
| 470 | D | 89.9 | Confident | 86.5 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 176.7 | -69.5 | -21.5 | 0 | 0 | 0 | 112.3 | E466 C472 T473 E474 Y578 | E466-D470 PolarHBondContact O-N 2.8Å; D470-C472 VanDerWaalsContact C-N 3.27Å; D470-C472 PolarHBondContact O-N 3.3Å; D470-T473 WeakPolarHBondContact CA-OG1 3.28Å; D470-T473 PolarHBondContact O-N 3.07Å; D470-T473 PolarHBondContact O-OG1 3.31Å; D470-E474 WeakPolarHBondContact O-CG 3.44Å; D470-E474 PolarHBondContact O-N 3.48Å; D470-Y578 PolarHBondContact N-OH 2.91Å; D470-Y578 WeakPolarHBondContact OD1-CE2 3.18Å; D470-Y578 VanDerWaalsContact OD1-CZ 3.26Å; D470-Y578 PolarHBondContact OD1-OH 3.45Å |
| 471 | R | 89.3 | Confident | 86.5 | Confident | 156 Ų | 156 | 52.6 Ų | 52.6 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.9 | -33.7 | 175.6 | -71.3 | -178.1 | -67 | 158.2 | 2.3 | 112.2 | P467 C468 L469 S475 | P467-R471 WeakPolarHBondContact O-CG 3.42Å; P467-R471 PolarHBondContact O-N 3.38Å; P467-R471 PolarHBondContact O-NE 3.32Å; C468-R471 PolarHBondContact SG-NH2 3.39Å; L469-R471 VanDerWaalsContact C-N 3.34Å; L469-R471 PolarHBondContact O-N 2.83Å; R471-S475 WeakPolarHBondContact O-CB 3.21Å; R471-S475 PolarHBondContact O-N 2.99Å; R471-S475 PolarHBondContact O-OG 3.32Å |
| 472 | C | 86.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.9 | -35.8 | 178.6 | -71.2 | 0 | 0 | 0 | 0 | 112.6 | C468 L469 D470 S475 S480 L481 H484 | C468-C472 PolarHBondContact O-N 3.02Å; C468-C472 VanDerWaalsContact O-N 3.08Å; C468-C472 PolarHBondContact O-SG 3.25Å; L469-C472 CarbonylContact O-C 3.55Å; L469-C472 WeakPolarHBondContact O-CA 3.35Å; L469-C472 WeakPolarHBondContact O-CB 3.35Å; L469-C472 PolarHBondContact O-N 3.36Å; D470-C472 VanDerWaalsContact C-N 3.27Å; D470-C472 PolarHBondContact O-N 3.3Å; C472-S475 WeakPolarHBondContact CA-OG 3.41Å; C472-S475 PolarHBondContact O-N 3.3Å; C472-S475 VanDerWaalsContact O-O 3.1Å; C472-S475 PolarHBondContact O-OG 3.25Å; C472-S480 PolarHBondContact SG-OG 3.01Å; C472-L481 HydrophobicContact CB-CB 4.15Å; C472-L481 HydrophobicContact CB-CD1 3.94Å; C472-H484 PolarHBondContact SG-CE1 3.32Å; C472-H484 PolarHBondContact SG-ND1 2.96Å; C472-H484 VanDerWaalsContact SG-ND1 3.43Å |
| 473 | T | 81.6 | Confident | 86.2 | Confident | 41 Ų | 41 | 52 Ų | 52 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.6 | -37.2 | 176.6 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | L469 D470 S475 L481 L584 | L469-T473 WeakPolarHBondContact O-CG2 3.22Å; L469-T473 PolarHBondContact O-N 3.28Å; L469-T473 PolarHBondContact O-OG1 3.26Å; D470-T473 WeakPolarHBondContact CA-OG1 3.28Å; D470-T473 PolarHBondContact O-N 3.07Å; D470-T473 PolarHBondContact O-OG1 3.31Å; T473-S475 VanDerWaalsContact C-N 3.35Å; T473-L481 HydrophobicContact CG2-CD1 3.76Å; T473-L481 HydrophobicContact CG2-CD2 4.34Å; T473-L584 HydrophobicContact CG2-CD1 4.39Å; T473-L584 HydrophobicContact CG2-CD2 3.36Å; T473-L584 HydrophobicContact CG2-CG 3.68Å |
| 474 | E | 77.1 | Confident | 86.3 | Confident | 165 Ų | 165 | 46 Ų | 46 | 77% | 0.771 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.6 | -30.6 | 172.6 | -70.1 | 177.1 | -178.7 | 0 | 0 | 112.6 | D470 | D470-E474 WeakPolarHBondContact O-CG 3.44Å; D470-E474 PolarHBondContact O-N 3.48Å |
| 475 | S | 71.5 | Confident | 86.2 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -77.2 | 142.4 | 179.3 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | R471 C472 T473 A477 | R471-S475 WeakPolarHBondContact O-CB 3.21Å; R471-S475 PolarHBondContact O-N 2.99Å; R471-S475 PolarHBondContact O-OG 3.32Å; C472-S475 WeakPolarHBondContact CA-OG 3.41Å; C472-S475 PolarHBondContact O-N 3.3Å; C472-S475 VanDerWaalsContact O-O 3.1Å; C472-S475 PolarHBondContact O-OG 3.25Å; T473-S475 VanDerWaalsContact C-N 3.35Å; S475-A477 PolarHBondContact O-N 3.01Å |
| 476 | A | 65.3 | Low | 86 | Confident | 110 Ų | 110 | 44.4 Ų | 44.4 | 91% | 0.909 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -75.6 | 31.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P478 | A476-P478 WeakPolarHBondContact O-CD 3.41Š|
| 477 | A | 78 | Confident | 86.1 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 31% | 0.314 | 24% | 0.242 | S | C | . | . | trans | -108.4 | 83.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S475 S479 S480 L481 | S475-A477 PolarHBondContact O-N 3.01Å; A477-S479 VanDerWaalsContact C-N 3.33Å; A477-S479 PolarHBondContact O-N 3.2Å; A477-S480 WeakPolarHBondContact O-CB 3.38Å; A477-S480 PolarHBondContact O-N 3.32Å; A477-S480 VanDerWaalsContact O-N 3.09Å; A477-L481 PolarHBondContact O-N 2.74Å | ||
| 478 | P | 77.7 | Confident | 86.2 | Confident | 66 Ų | 66 | 38.2 Ų | 38.2 | 43% | 0.429 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -33.1 | -171.2 | 23.8 | -34.8 | 0 | 0 | 0 | 114.5 | A476 A482 S589 | A476-P478 WeakPolarHBondContact O-CD 3.41Å; P478-A482 WeakPolarHBondContact O-CB 3.49Å; P478-A482 PolarHBondContact O-N 3.22Å; P478-S589 WeakPolarHBondContact CB-OG 3.26Å |
| 479 | S | 83.4 | Confident | 86.2 | Confident | 42 Ų | 42 | 37.7 Ų | 37.7 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.8 | -37.1 | 175.7 | 49.6 | 0 | 0 | 0 | 0 | 112 | A376 A477 A482 G483 | A376-S479 WeakPolarHBondContact CB-O 3.3Å; A477-S479 VanDerWaalsContact C-N 3.33Å; A477-S479 PolarHBondContact O-N 3.2Å; S479-A482 PolarHBondContact O-N 3.08Å; S479-G483 PolarHBondContact O-N 3.36Å |
| 480 | S | 90 | Very high | 86.2 | Confident | 25 Ų | 25 | 37.7 Ų | 37.7 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -50.5 | 176.6 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | C472 A477 A482 G483 H484 | C472-S480 PolarHBondContact SG-OG 3.01Å; A477-S480 WeakPolarHBondContact O-CB 3.38Å; A477-S480 PolarHBondContact O-N 3.32Å; A477-S480 VanDerWaalsContact O-N 3.09Å; S480-A482 VanDerWaalsContact C-N 3.32Å; S480-A482 PolarHBondContact O-N 3.4Å; S480-G483 PolarHBondContact O-N 2.96Å; S480-H484 PolarHBondContact O-N 2.9Å; S480-H484 PolarHBondContact O-ND1 2.93Å |
| 481 | L | 91 | Very high | 86.4 | Confident | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -43.1 | 177.3 | -178.1 | 59.7 | 0 | 0 | 0 | 111.7 | L469 C472 T473 A477 G483 H484 L485 L584 V587 A592 | L469-L481 HydrophobicContact CD2-CD1 4.31Å; C472-L481 HydrophobicContact CB-CB 4.15Å; C472-L481 HydrophobicContact CB-CD1 3.94Å; T473-L481 HydrophobicContact CG2-CD1 3.76Å; T473-L481 HydrophobicContact CG2-CD2 4.34Å; A477-L481 PolarHBondContact O-N 2.74Å; L481-G483 PolarHBondContact O-N 3.32Å; L481-H484 PolarHBondContact O-N 2.97Å; L481-L485 HydrophobicContact CD1-CD1 4.29Å; L481-L485 HydrophobicContact CD1-CG 4.32Å; L481-L485 HydrophobicContact CG-CD1 4.08Å; L481-L485 WeakPolarHBondContact O-CG 3.5Å; L481-L485 PolarHBondContact O-N 3.39Å; L481-L584 HydrophobicContact CD1-CD2 4.16Å; L481-V587 HydrophobicContact CD2-CG1 4.38Å; L481-V587 HydrophobicContact CD2-CG2 3.48Å; L481-V587 VanDerWaalsContact CD2-CG2 3.48Å; L481-A592 HydrophobicContact CB-CB 4.5Å; L481-A592 HydrophobicContact CD2-CB 4.29Å; L481-A592 HydrophobicContact CG-CB 4.2Å |
| 482 | A | 88.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L379 P478 S479 S480 H484 L485 L486 N591 A592 | L379-A482 HydrophobicContact CD1-CB 3.62Å; P478-A482 WeakPolarHBondContact O-CB 3.49Å; P478-A482 PolarHBondContact O-N 3.22Å; S479-A482 PolarHBondContact O-N 3.08Å; S480-A482 VanDerWaalsContact C-N 3.32Å; S480-A482 PolarHBondContact O-N 3.4Å; A482-H484 VanDerWaalsContact C-N 3.34Å; A482-H484 PolarHBondContact O-N 2.91Å; A482-L485 PolarHBondContact O-N 3.01Å; A482-L486 WeakPolarHBondContact O-CG 3.31Å; A482-L486 PolarHBondContact O-N 3.24Å; A482-N591 HydrophobicContact CB-CB 3.61Å; A482-A592 HydrophobicContact CB-CB 3.97Å |
| 483 | G | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L375 S479 S480 L481 L486 L487 | L375-G483 WeakPolarHBondContact CD1-O 3.49Å; S479-G483 PolarHBondContact O-N 3.36Å; S480-G483 PolarHBondContact O-N 2.96Å; L481-G483 PolarHBondContact O-N 3.32Å; G483-L486 PolarHBondContact O-N 3.46Å; G483-L487 WeakPolarHBondContact O-CB 3.44Å; G483-L487 PolarHBondContact O-N 2.93Å |
| 484 | H | 94.1 | Very high | 86.7 | Confident | 13 Ų | 13 | 26.4 Ų | 26.4 | 6% | 0.06 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.1 | -36.6 | 177.6 | -72 | 75.8 | 0 | 0 | 0 | 112.9 | L469 C472 S480 L481 A482 L487 L488 | L469-H484 HydrophobicContact CD2-CB 3.59Å; L469-H484 HydrophobicContact CG-CB 4.36Å; C472-H484 PolarHBondContact SG-CE1 3.32Å; C472-H484 PolarHBondContact SG-ND1 2.96Å; C472-H484 VanDerWaalsContact SG-ND1 3.43Å; S480-H484 PolarHBondContact O-N 2.9Å; S480-H484 PolarHBondContact O-ND1 2.93Å; L481-H484 PolarHBondContact O-N 2.97Å; A482-H484 VanDerWaalsContact C-N 3.34Å; A482-H484 PolarHBondContact O-N 2.91Å; H484-L487 PolarHBondContact O-N 3.4Å; H484-L488 WeakPolarHBondContact O-CB 3.45Å; H484-L488 PolarHBondContact O-N 3.21Å |
| 485 | L | 92.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.7 | -39.5 | 173.7 | -70.9 | 170.3 | 0 | 0 | 0 | 111.4 | L469 L481 A482 L488 S489 L579 A592 L596 C599 | L469-L485 HydrophobicContact CD2-CD2 4.27Å; L481-L485 HydrophobicContact CD1-CD1 4.29Å; L481-L485 HydrophobicContact CD1-CG 4.32Å; L481-L485 HydrophobicContact CG-CD1 4.08Å; L481-L485 WeakPolarHBondContact O-CG 3.5Å; L481-L485 PolarHBondContact O-N 3.39Å; A482-L485 PolarHBondContact O-N 3.01Å; L485-L488 PolarHBondContact O-N 3.2Å; L485-S489 PolarHBondContact O-N 3.42Å; L485-S489 PolarHBondContact O-OG 3.16Å; L485-L579 HydrophobicContact CD2-CD2 3.88Å; L485-A592 HydrophobicContact CD1-CB 4.11Å; L485-A592 VanDerWaalsContact CD1-O 3.3Å; L485-A592 WeakPolarHBondContact CD1-O 3.47Å; L485-L596 HydrophobicContact CD1-CB 4.22Å; L485-C599 PolarHBondContact O-SG 3.35Å; L485-C599 VanDerWaalsContact O-SG 3.34Å |
| 486 | L | 90.4 | Very high | 87.9 | Confident | 8 Ų | 8 | 16.4 Ų | 16.4 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 172.8 | -72 | -175.5 | 0 | 0 | 0 | 112 | L375 L379 M394 A482 G483 L488 S489 G490 | L375-L486 HydrophobicContact CD1-CB 4.14Å; L379-L486 HydrophobicContact CD1-CD1 3.81Å; L379-L486 HydrophobicContact CD2-CD1 4.15Å; L379-L486 HydrophobicContact CG-CD1 4.29Å; M394-L486 HydrophobicContact CE-CB 4.46Å; M394-L486 HydrophobicContact CE-CD1 3.9Å; M394-L486 HydrophobicContact CE-CD2 3.71Å; M394-L486 HydrophobicContact CE-CG 4.25Å; M394-L486 HydrophobicContact SD-CD2 3.68Å; A482-L486 WeakPolarHBondContact O-CG 3.31Å; A482-L486 PolarHBondContact O-N 3.24Å; G483-L486 PolarHBondContact O-N 3.46Å; L486-L488 VanDerWaalsContact C-N 3.33Å; L486-L488 PolarHBondContact O-N 3.23Å; L486-S489 WeakPolarHBondContact CA-OG 3.32Å; L486-S489 PolarHBondContact O-N 3.27Å; L486-S489 PolarHBondContact O-OG 2.97Å; L486-G490 PolarHBondContact O-N 3.42Å |
| 487 | L | 95.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.2 | -47.6 | 172.1 | 171 | 60.6 | 0 | 0 | 0 | 111.2 | L368 I371 A372 L375 A449 L465 G483 H484 S489 G490 L491 | L368-L487 HydrophobicContact CB-CD2 4.29Å; L368-L487 HydrophobicContact CD2-CD1 4.23Å; L368-L487 HydrophobicContact CD2-CD2 3.95Å; L368-L487 HydrophobicContact CD2-CG 4.39Å; L368-L487 WeakPolarHBondContact O-CD2 3.4Å; I371-L487 HydrophobicContact CB-CD1 4.26Å; I371-L487 HydrophobicContact CG2-CD1 3.79Å; A372-L487 HydrophobicContact CB-CD2 3.79Å; L375-L487 HydrophobicContact CD1-CB 4.03Å; A449-L487 HydrophobicContact CB-CD1 3.72Å; L465-L487 HydrophobicContact CD1-CD2 3.96Å; G483-L487 WeakPolarHBondContact O-CB 3.44Å; G483-L487 PolarHBondContact O-N 2.93Å; H484-L487 PolarHBondContact O-N 3.4Å; L487-S489 PolarHBondContact O-N 2.98Å; L487-G490 PolarHBondContact O-N 3.35Å; L487-L491 HydrophobicContact CD1-CD1 3.84Å; L487-L491 HydrophobicContact CD1-CG 3.97Å; L487-L491 HydrophobicContact CG-CD1 3.84Å; L487-L491 HydrophobicContact CG-CG 4.42Å; L487-L491 WeakPolarHBondContact O-CG 3.36Å; L487-L491 PolarHBondContact O-N 3.39Å |
| 488 | L | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59 | -46 | 177.8 | 177.6 | 60.5 | 0 | 0 | 0 | 111.5 | W461 W462 L465 L469 H484 L485 L486 G490 L491 F492 I575 L579 | W461-L488 HydrophobicContact CH2-CD1 4.08Å; W461-L488 HydrophobicContact CZ3-CD1 3.72Å; W462-L488 HydrophobicContact CE3-CD1 4.34Å; W462-L488 HydrophobicContact CZ3-CD1 4.11Å; W462-L488 HydrophobicContact CZ3-CD2 4.44Å; L465-L488 HydrophobicContact CD2-CB 4.05Å; L465-L488 HydrophobicContact CD2-CD1 3.9Å; L469-L488 HydrophobicContact CD1-CD2 4.16Å; H484-L488 WeakPolarHBondContact O-CB 3.45Å; H484-L488 PolarHBondContact O-N 3.21Å; L485-L488 PolarHBondContact O-N 3.2Å; L486-L488 VanDerWaalsContact C-N 3.33Å; L486-L488 PolarHBondContact O-N 3.23Å; L488-G490 VanDerWaalsContact C-N 3.34Å; L488-G490 PolarHBondContact O-N 2.86Å; L488-L491 PolarHBondContact O-N 2.97Å; L488-F492 HydrophobicContact CD1-CD2 4.12Å; L488-F492 HydrophobicContact CD1-CE1 4.48Å; L488-F492 HydrophobicContact CD1-CE2 4Å; L488-F492 HydrophobicContact CD1-CG 4.43Å; L488-F492 HydrophobicContact CD1-CZ 4.24Å; L488-F492 HydrophobicContact CD2-CE2 4.36Å; L488-F492 HydrophobicContact CG-CD2 4.03Å; L488-F492 HydrophobicContact CG-CE2 4.03Å; L488-F492 WeakPolarHBondContact O-CB 3.47Å; L488-F492 WeakPolarHBondContact O-CG 3.48Å; L488-F492 PolarHBondContact O-N 2.86Å; L488-I575 HydrophobicContact CD1-CG2 4.25Å; L488-I575 HydrophobicContact CD2-CG2 4.12Å; L488-L579 HydrophobicContact CD2-CD1 4.18Å; L488-L579 HydrophobicContact CD2-CD2 3.94Å; L488-L579 HydrophobicContact CD2-CG 4.4Å |
| 489 | S | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.5 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | F446 L485 L486 L487 F492 H493 | F446-S489 WeakPolarHBondContact CE2-OG 3.37Å; L485-S489 PolarHBondContact O-N 3.42Å; L485-S489 PolarHBondContact O-OG 3.16Å; L486-S489 WeakPolarHBondContact CA-OG 3.32Å; L486-S489 PolarHBondContact O-N 3.27Å; L486-S489 PolarHBondContact O-OG 2.97Å; L487-S489 PolarHBondContact O-N 2.98Å; S489-F492 PolarHBondContact O-N 3.35Å; S489-H493 WeakPolarHBondContact O-CB 3.34Å; S489-H493 PolarHBondContact O-N 3Å |
| 490 | G | 90.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -65.6 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F446 Q450 L486 L487 L488 F492 H493 G494 | F446-G490 VanDerWaalsContact CE2-CA 3.42Å; Q450-G490 WeakPolarHBondContact CA-O 3.32Å; Q450-G490 WeakPolarHBondContact CG-O 3.47Å; L486-G490 PolarHBondContact O-N 3.42Å; L487-G490 PolarHBondContact O-N 3.35Å; L488-G490 VanDerWaalsContact C-N 3.34Å; L488-G490 PolarHBondContact O-N 2.86Å; G490-F492 VanDerWaalsContact C-N 3.32Å; G490-F492 PolarHBondContact O-N 2.79Å; G490-H493 PolarHBondContact O-N 3.06Å; G490-G494 PolarHBondContact O-N 2.84Å |
| 491 | L | 93.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | 174.6 | -72.2 | 165.2 | 0 | 0 | 0 | 111.2 | L368 L452 W461 L465 L487 L488 H493 G494 S495 | L368-L491 HydrophobicContact CD2-CD1 3.63Å; L368-L491 HydrophobicContact CD2-CD2 4.28Å; L452-L491 HydrophobicContact CB-CD2 4.12Å; L452-L491 HydrophobicContact CD2-CD2 4.1Å; L452-L491 HydrophobicContact CG-CD2 4.11Å; W461-L491 HydrophobicContact CD2-CB 4.36Å; W461-L491 HydrophobicContact CD2-CD1 4.09Å; W461-L491 HydrophobicContact CD2-CD2 4.41Å; W461-L491 HydrophobicContact CE3-CB 4.44Å; W461-L491 HydrophobicContact CE3-CD1 3.85Å; W461-L491 HydrophobicContact CG-CD2 4.33Å; W461-L491 HydrophobicContact CH2-CB 4.25Å; W461-L491 HydrophobicContact CZ2-CB 4.05Å; W461-L491 HydrophobicContact CZ3-CB 4.41Å; W461-L491 HydrophobicContact CZ3-CD1 4.33Å; L465-L491 HydrophobicContact CD2-CD1 3.8Å; L487-L491 HydrophobicContact CD1-CD1 3.84Å; L487-L491 HydrophobicContact CD1-CG 3.97Å; L487-L491 HydrophobicContact CG-CD1 3.84Å; L487-L491 HydrophobicContact CG-CG 4.42Å; L487-L491 WeakPolarHBondContact O-CG 3.36Å; L487-L491 PolarHBondContact O-N 3.39Å; L488-L491 PolarHBondContact O-N 2.97Å; L491-H493 VanDerWaalsContact C-N 3.34Å; L491-H493 PolarHBondContact O-N 2.79Å; L491-G494 CarbonylContact O-C 3.59Å; L491-G494 PolarHBondContact O-N 2.87Å; L491-S495 WeakPolarHBondContact O-CB 3.3Å; L491-S495 PolarHBondContact O-N 3.08Å; L491-S495 PolarHBondContact O-OG 2.79Å |
| 492 | F | 89.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 175.7 | -85.7 | -29.5 | 0 | 0 | 0 | 113.4 | W461 L488 S489 G490 G494 S495 L500 L572 I575 V602 H606 | W461-F492 AromaticContact CH2-CD1 3.74Å; W461-F492 HydrophobicContact CH2-CD1 3.74Å; W461-F492 AromaticContact CH2-CE1 3.87Å; W461-F492 HydrophobicContact CH2-CE1 3.87Å; W461-F492 HydrophobicContact CZ2-CD1 4.24Å; L488-F492 HydrophobicContact CD1-CD2 4.12Å; L488-F492 HydrophobicContact CD1-CE1 4.48Å; L488-F492 HydrophobicContact CD1-CE2 4Å; L488-F492 HydrophobicContact CD1-CG 4.43Å; L488-F492 HydrophobicContact CD1-CZ 4.24Å; L488-F492 HydrophobicContact CD2-CE2 4.36Å; L488-F492 HydrophobicContact CG-CD2 4.03Å; L488-F492 HydrophobicContact CG-CE2 4.03Å; L488-F492 WeakPolarHBondContact O-CB 3.47Å; L488-F492 WeakPolarHBondContact O-CG 3.48Å; L488-F492 PolarHBondContact O-N 2.86Å; S489-F492 PolarHBondContact O-N 3.35Å; G490-F492 VanDerWaalsContact C-N 3.32Å; G490-F492 PolarHBondContact O-N 2.79Å; F492-G494 PolarHBondContact O-N 3.36Å; F492-S495 PolarHBondContact O-N 2.76Å; F492-L500 HydrophobicContact CD1-CD2 4.14Å; F492-L500 HydrophobicContact CE1-CD2 4.17Å; F492-L572 HydrophobicContact CE1-CD1 4.22Å; F492-L572 HydrophobicContact CZ-CD1 4.16Å; F492-I575 HydrophobicContact CE1-CB 4.29Å; F492-I575 HydrophobicContact CE1-CD1 3.35Å; F492-I575 HydrophobicContact CE1-CG1 4.38Å; F492-I575 HydrophobicContact CE1-CG2 4.15Å; F492-I575 HydrophobicContact CE2-CB 4.48Å; F492-I575 HydrophobicContact CE2-CG2 3.66Å; F492-I575 HydrophobicContact CZ-CB 3.57Å; F492-I575 HydrophobicContact CZ-CD1 3.55Å; F492-I575 HydrophobicContact CZ-CG1 4.12Å; F492-I575 HydrophobicContact CZ-CG2 3.18Å; F492-V602 HydrophobicContact CB-CB 4.47Å; F492-V602 HydrophobicContact CB-CG1 3.64Å; F492-H606 PolarHBondContact O-CE1 2.67Å; F492-H606 PolarHBondContact O-NE2 3.47Å |
| 493 | H | 87 | Confident | 84.9 | Confident | 15 Ų | 15 | 11.3 Ų | 11.3 | 7% | 0.069 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.4 | -34.5 | 178.9 | -162.6 | -51.3 | 0 | 0 | 0 | 110.7 | V397 R400 Q450 S489 G490 L491 V602 | V397-H493 VanDerWaalsContact C-CE1 3.45Å; V397-H493 PolarHBondContact O-CE1 3.36Å; V397-H493 PolarHBondContact O-ND1 3.43Å; R400-H493 PolarHBondContact NH2-O 3.3Å; Q450-H493 HydrophobicContact CG-CB 4.08Å; Q450-H493 VanDerWaalsContact NE2-CG 3.33Å; Q450-H493 PolarHBondContact NE2-ND1 3.06Å; S489-H493 WeakPolarHBondContact O-CB 3.34Å; S489-H493 PolarHBondContact O-N 3Å; G490-H493 PolarHBondContact O-N 3.06Å; L491-H493 VanDerWaalsContact C-N 3.34Å; L491-H493 PolarHBondContact O-N 2.79Å; H493-V602 HydrophobicContact CB-CG1 4.09Å; H493-V602 HydrophobicContact CB-CG2 4.21Å |
| 494 | G | 86.8 | Confident | 82.7 | Confident | 9 Ų | 9 | 15.1 Ų | 15.1 | 9% | 0.093 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.9 | -39.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R400 Q450 C454 G490 L491 F492 | R400-G494 PolarHBondContact NH2-O 3.17Å; Q450-G494 WeakPolarHBondContact O-CA 3.46Å; C454-G494 WeakPolarHBondContact CA-O 3.43Å; G490-G494 PolarHBondContact O-N 2.84Å; L491-G494 CarbonylContact O-C 3.59Å; L491-G494 PolarHBondContact O-N 2.87Å; F492-G494 PolarHBondContact O-N 3.36Å |
| 495 | S | 89.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -71.6 | 117.4 | -168 | -77.4 | 0 | 0 | 0 | 0 | 114.2 | R400 G453 T458 W461 L491 F492 H606 | R400-S495 PolarHBondContact NH1-O 2.82Å; R400-S495 PolarHBondContact NH2-O 3.31Å; G453-S495 WeakPolarHBondContact O-CA 3.35Å; G453-S495 PolarHBondContact O-OG 2.94Å; T458-S495 WeakPolarHBondContact OG1-CB 3.41Å; T458-S495 PolarHBondContact OG1-OG 3.07Å; W461-S495 WeakPolarHBondContact CZ2-OG 3.4Å; W461-S495 PolarHBondContact NE1-OG 3.47Å; L491-S495 WeakPolarHBondContact O-CB 3.3Å; L491-S495 PolarHBondContact O-N 3.08Å; L491-S495 PolarHBondContact O-OG 2.79Å; F492-S495 PolarHBondContact O-N 2.76Å; S495-H606 PolarHBondContact O-CE1 2.94Å; S495-H606 VanDerWaalsContact O-CE1 3.27Å |
| 496 | P | 85.5 | Confident | 76.8 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | trans | -63.5 | 150.2 | -176.9 | 29.7 | -37.6 | 0 | 0 | 0 | 112.1 | H303 N498 Q499 L500 | H303-P496 HydrophobicContact CB-CB 4.39Å; H303-P496 HydrophobicContact CB-CG 4.19Å; H303-P496 WeakPolarHBondContact CD2-CG 3.43Å; H303-P496 WeakPolarHBondContact CE1-CB 3.32Å; H303-P496 VanDerWaalsContact ND1-CB 3.26Å; H303-P496 WeakPolarHBondContact ND1-CB 3.46Å; H303-P496 WeakPolarHBondContact NE2-CG 3.35Å; P496-N498 WeakPolarHBondContact CB-OD1 3.27Å; P496-N498 PolarHBondContact O-N 2.94Å; P496-N498 VanDerWaalsContact O-N 3.09Å; P496-Q499 HydrophobicContact CG-CB 3.94Å; P496-Q499 HydrophobicContact CG-CG 3.66Å; P496-Q499 PolarHBondContact O-N 2.89Å; P496-L500 PolarHBondContact O-N 3.28Å | ||
| 497 | L | 86 | Confident | 73.9 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -35.8 | -173.9 | -170 | 68 | 0 | 0 | 0 | 113.2 | Q499 L500 H606 A610 L613 T642 A646 I649 | L497-Q499 PolarHBondContact O-N 2.61Å; L497-L500 HydrophobicContact CD1-CD1 4.48Å; L497-L500 PolarHBondContact O-N 2.87Å; L497-H606 HydrophobicContact CD1-CB 4.34Å; L497-A610 HydrophobicContact CD1-CB 4.49Å; L497-A610 HydrophobicContact CD2-CB 3.97Å; L497-L613 HydrophobicContact CD2-CD1 3.87Å; L497-T642 HydrophobicContact CB-CG2 4.28Å; L497-T642 HydrophobicContact CD2-CG2 4.43Å; L497-A646 HydrophobicContact CD2-CB 3.86Å; L497-I649 HydrophobicContact CD1-CD1 3.37Å; L497-I649 HydrophobicContact CG-CD1 4.25Å |
| 498 | N | 83.3 | Confident | 70.5 | Confident | 26 Ų | 26 | 42 Ų | 42 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -25.4 | 178.3 | 71.3 | -24.2 | 0 | 0 | 0 | 114.3 | H303 P496 A641 | H303-N498 PolarHBondContact CE1-OD1 2.75Å; H303-N498 VanDerWaalsContact CE1-OD1 3.26Å; H303-N498 PolarHBondContact NE2-ND2 3.13Å; H303-N498 PolarHBondContact NE2-OD1 3.27Å; P496-N498 WeakPolarHBondContact CB-OD1 3.27Å; P496-N498 PolarHBondContact O-N 2.94Å; P496-N498 VanDerWaalsContact O-N 3.09Å; N498-A641 HydrophobicContact CB-CB 4.34Å |
| 499 | Q | 83.3 | Confident | 67.2 | Low | 30 Ų | 30 | 47.4 Ų | 47.4 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -80.2 | -21.7 | 175.8 | -74 | -173.7 | 6.8 | 0 | 0 | 112.6 | I456 P496 L497 I501 I502 | I456-Q499 PolarHBondContact O-OE1 3.08Å; P496-Q499 HydrophobicContact CG-CB 3.94Å; P496-Q499 HydrophobicContact CG-CG 3.66Å; P496-Q499 PolarHBondContact O-N 2.89Å; L497-Q499 PolarHBondContact O-N 2.61Å; Q499-I501 PolarHBondContact O-N 3.46Å; Q499-I502 HydrophobicContact CB-CD1 4.49Å; Q499-I502 HydrophobicContact CG-CD1 4.41Å |
| 500 | L | 81.6 | Confident | 64 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -70.6 | -9.6 | 178.7 | -70.5 | 179.9 | 0 | 0 | 0 | 114 | T458 F492 P496 L497 T571 L572 H606 | T458-L500 HydrophobicContact CG2-CD2 3.85Å; F492-L500 HydrophobicContact CD1-CD2 4.14Å; F492-L500 HydrophobicContact CE1-CD2 4.17Å; P496-L500 PolarHBondContact O-N 3.28Å; L497-L500 HydrophobicContact CD1-CD1 4.48Å; L497-L500 PolarHBondContact O-N 2.87Å; L500-T571 WeakPolarHBondContact O-CB 3.42Å; L500-T571 PolarHBondContact O-N 2.97Å; L500-L572 HydrophobicContact CB-CB 4.18Å; L500-L572 HydrophobicContact CD1-CD1 4.43Å; L500-L572 HydrophobicContact CD1-CD2 4.43Å; L500-L572 PolarHBondContact O-N 2.87Å; L500-H606 HydrophobicContact CD1-CB 4.4Å |
| 501 | I | 70.2 | Confident | 60.8 | Low | 11 Ų | 11 | 68.3 Ų | 68.3 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -126.1 | 15.8 | -173.5 | -47.1 | -175.5 | 0 | 0 | 0 | 113.1 | Q499 T503 A645 L648 I649 | Q499-I501 PolarHBondContact O-N 3.46Å; I501-T503 WeakPolarHBondContact O-CG2 3.45Å; I501-T503 PolarHBondContact O-N 3.39Å; I501-A645 HydrophobicContact CB-CB 4.27Å; I501-A645 HydrophobicContact CD1-CB 3.4Å; I501-A645 VanDerWaalsContact CD1-CB 3.4Å; I501-A645 WeakPolarHBondContact CD1-O 3.35Å; I501-A645 HydrophobicContact CG1-CB 4.03Å; I501-L648 HydrophobicContact CD1-CB 3.94Å; I501-L648 HydrophobicContact CG2-CB 4Å; I501-L648 HydrophobicContact CG2-CD1 3.46Å; I501-L648 VanDerWaalsContact CG2-CD1 3.46Å; I501-L648 HydrophobicContact CG2-CG 4.37Å; I501-I649 HydrophobicContact CD1-CB 4.23Å; I501-I649 HydrophobicContact CD1-CD1 3.45Å; I501-I649 VanDerWaalsContact CD1-CD1 3.45Å; I501-I649 HydrophobicContact CD1-CG1 3.4Å; I501-I649 VanDerWaalsContact CD1-CG1 3.4Å; I501-I649 HydrophobicContact CG1-CD1 3.87Å; I501-I649 HydrophobicContact CG1-CG1 4.03Å |
| 502 | I | 57.7 | Low | 57.5 | Low | 74 Ų | 74 | 75.5 Ų | 75.5 | 38% | 0.379 | 38% | 0.383 | S | S | . | . | trans | -64.8 | 101.1 | 177.9 | -58.1 | 173.6 | 0 | 0 | 0 | 108.9 | Q499 | Q499-I502 HydrophobicContact CB-CD1 4.49Å; Q499-I502 HydrophobicContact CG-CD1 4.41Å | ||
| 503 | T | 49.4 | Very low | 54.3 | Low | 45 Ų | 45 | 80.8 Ų | 80.8 | 28% | 0.276 | 42% | 0.42 | S | S | . | . | trans | -69 | 151.7 | 178.9 | 56.3 | 0 | 0 | 0 | 0 | 109 | I501 E505 N568 | I501-T503 WeakPolarHBondContact O-CG2 3.45Å; I501-T503 PolarHBondContact O-N 3.39Å; T503-E505 PolarHBondContact O-N 2.87Å; T503-N568 HydrophobicContact CG2-CB 3.62Å | ||
| 504 | D | 43.9 | Very low | 51.2 | Low | 81 Ų | 81 | 85 Ų | 85 | 43% | 0.433 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -67.7 | 2.1 | -179.5 | -82 | -49.1 | 0 | 0 | 0 | 113.8 | K459 M506 K574 | K459-D504 WeakPolarHBondContact CE-OD1 3.41Å; K459-D504 IonicContact NZ-OD1 2.9Å; K459-D504 PolarHBondContact NZ-OD1 3.28Å; D504-M506 PolarHBondContact O-N 3.1Å; D504-K574 IonicContact OD2-NZ 2.71Å; D504-K574 PolarHBondContact OD2-NZ 3.25Å |
| 505 | E | 34.7 | Very low | 48.2 | Very low | 121 Ų | 121 | 93.3 Ų | 93.3 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 70.9 | -177.6 | -72.6 | -173.6 | -168.4 | 0 | 0 | 113.7 | T503 N568 | T503-E505 PolarHBondContact O-N 2.87Å; E505-N568 PolarHBondContact OE1-ND2 3.31Å; E505-N568 PolarHBondContact OE2-ND2 3.39Å |
| 506 | M | 28.1 | Very low | 45 | Very low | 193 Ų | 193 | 100.2 Ų | 100.2 | 95% | 0.951 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | 19.3 | 141 | -83.8 | -141.6 | -160.9 | 0 | 0 | 112 | D504 | D504-M506 PolarHBondContact O-N 3.1Š|
| 507 | K | 29.1 | Very low | 41.9 | Very low | 212 Ų | 212 | 110.6 Ų | 110.6 | 92% | 0.922 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -94.3 | -0 | 167.4 | -77.8 | -170.9 | 176 | -179.8 | 0 | 114.2 | ||
| 508 | G | 25.1 | Very low | 38.9 | Very low | 60 Ų | 60 | 120.6 Ų | 120.6 | 62% | 0.619 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -95.4 | -32 | -175 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 509 | S | 24 | Very low | 35.9 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 80% | 0.797 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -103.5 | 30.3 | -164 | -83.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 510 | K | 24.5 | Very low | 33.1 | Very low | 202 Ų | 202 | 129.8 Ų | 129.8 | 88% | 0.878 | 68% | 0.676 | S | S | * | * | trans | -128.9 | 65.9 | 163.6 | -75.3 | -169.7 | 179.6 | -179.4 | 0 | 111.2 | ||||
| 511 | R | 24.1 | Very low | 30.2 | Very low | 237 Ų | 237 | 137.6 Ų | 137.6 | 89% | 0.894 | 72% | 0.718 | S | S | * | * | trans | -127.9 | 51.3 | 151.2 | -77.8 | -170.9 | 179.4 | 175.3 | 1.1 | 109 | S513 | R511-S513 VanDerWaalsContact C-N 3.34Å; R511-S513 PolarHBondContact O-N 3.2Å; R511-S513 VanDerWaalsContact O-N 3.1Å | ||
| 512 | D | 23.9 | Very low | 28 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | -70 | 104.4 | 155 | -78.1 | -28.5 | 0 | 0 | 0 | 107.1 | S514 | D512-S514 PolarHBondContact O-N 3Å; D512-S514 VanDerWaalsContact O-N 3.09Å | ||
| 513 | S | 22.4 | Very low | 26.4 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -50.1 | 104.3 | 166.3 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | R511 | R511-S513 VanDerWaalsContact C-N 3.34Å; R511-S513 PolarHBondContact O-N 3.2Å; R511-S513 VanDerWaalsContact O-N 3.1Å |
| 514 | S | 23 | Very low | 25.2 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 166 | 71.7 | 146.3 | 47.7 | 0 | 0 | 0 | 0 | 112.1 | D512 | D512-S514 PolarHBondContact O-N 3Å; D512-S514 VanDerWaalsContact O-N 3.09Å | ||
| 515 | L | 23.3 | Very low | 24.3 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | -147.7 | 118.5 | 150.9 | -103.8 | 124.1 | 0 | 0 | 0 | 110.8 | ||||
| 516 | N | 22.3 | Very low | 23.7 | Very low | 146 Ų | 146 | 154.1 Ų | 154.1 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | trans | -60.9 | 143.9 | -179.3 | -82 | -49.6 | 0 | 0 | 0 | 112.5 | ||||
| 517 | R | 20.1 | Very low | 23.5 | Very low | 221 Ų | 221 | 150.6 Ų | 150.6 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | 20.3 | 103 | 143.6 | -65.8 | 179.9 | -170.2 | 169.7 | 3.2 | 116.3 | ||||
| 518 | F | 23.2 | Very low | 23.2 | Very low | 211 Ų | 211 | 148 Ų | 148 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -139.6 | 107.2 | 135.4 | -89.2 | -77.7 | 0 | 0 | 0 | 109 | ||||
| 519 | S | 20.1 | Very low | 23.1 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -71.7 | 133.7 | 163.9 | -33.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 520 | T | 25.6 | Very low | 23.1 | Very low | 142 Ų | 142 | 152.5 Ų | 152.5 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -176.6 | 134.1 | 137.3 | 20.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 521 | N | 20.5 | Very low | 23 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -72.3 | 137.3 | 179.2 | -61.5 | -36.2 | 0 | 0 | 0 | 111 | ||||
| 522 | A | 23.9 | Very low | 23.1 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -148.8 | 93.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 523 | T | 23.5 | Very low | 23 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -88.1 | 97.2 | 170.5 | 43.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 524 | D | 23.9 | Very low | 23.2 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -93.4 | 108.2 | 166.7 | -83.7 | -26 | 0 | 0 | 0 | 109.6 | ||||
| 525 | T | 24.3 | Very low | 23.2 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | trans | -93.6 | 114.5 | 176.1 | 20.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 526 | F | 22.5 | Very low | 23.4 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -114 | 92.6 | 164.4 | -90.9 | -83.4 | 0 | 0 | 0 | 108.7 | ||||
| 527 | T | 25.1 | Very low | 23.6 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -91.5 | 107 | 172.4 | 38.3 | 0 | 0 | 0 | 0 | 109 | T529 | T527-T529 PolarHBondContact O-N 3.31Š| ||
| 528 | N | 22.6 | Very low | 23.9 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -80.2 | 113.6 | 172 | -88 | -20.7 | 0 | 0 | 0 | 110.1 | ||||
| 529 | T | 22.4 | Very low | 24 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -77.9 | 120.8 | 175 | 37.5 | 0 | 0 | 0 | 0 | 110.3 | T527 | T527-T529 PolarHBondContact O-N 3.31Š| ||
| 530 | T | 24.4 | Very low | 24.5 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -123.6 | 104 | 162.1 | 37.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 531 | S | 22.2 | Very low | 24.4 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -73.7 | 117.9 | 177 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 532 | T | 25.3 | Very low | 24.8 | Very low | 139 Ų | 139 | 136 Ų | 136 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -122.7 | 105.1 | 157.5 | 41.9 | 0 | 0 | 0 | 0 | 107.7 | N534 | T532-N534 PolarHBondContact O-N 3.4Š| ||
| 533 | A | 23 | Very low | 25 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -82.2 | 103.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 534 | N | 26.5 | Very low | 25 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -116 | 110.4 | 158.5 | -85.3 | -10.6 | 0 | 0 | 0 | 107.8 | T532 | T532-N534 PolarHBondContact O-N 3.4Š| ||
| 535 | T | 22.7 | Very low | 25.2 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | -90.6 | 113.5 | 176.2 | 35.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 536 | S | 26.7 | Very low | 25.3 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -162.9 | 116.5 | 154.9 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 537 | D | 27.7 | Very low | 25.6 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | 72.8 | 101.7 | 141.1 | -58.9 | -21.9 | 0 | 0 | 0 | 121.1 | ||||
| 538 | N | 26.8 | Very low | 25.7 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | 58 | 92.1 | 123.3 | -67.3 | -23 | 0 | 0 | 0 | 118.9 | H540 | N538-H540 PolarHBondContact O-N 3.02Š| |||
| 539 | N | 24.5 | Very low | 25.7 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | 23 | 93.2 | 115.3 | -67.3 | -12.5 | 0 | 0 | 0 | 116.7 | |||||
| 540 | H | 29.6 | Very low | 25.9 | Very low | 182 Ų | 182 | 147 Ų | 147 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -130.5 | 101.7 | 141 | -97 | -55.5 | 0 | 0 | 0 | 109.9 | N538 | N538-H540 PolarHBondContact O-N 3.02Š| ||
| 541 | S | 24.7 | Very low | 26 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -64.3 | 118.9 | 164.6 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 542 | I | 28.4 | Very low | 26.1 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 80% | 0.795 | 81% | 0.813 | S | S | * | * | trans | -126.7 | 114.2 | 162 | -63 | -179.4 | 0 | 0 | 0 | 108 | ||||
| 543 | H | 27.2 | Very low | 26.1 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | -6.7 | 124.8 | 168 | -83.2 | -84 | 0 | 0 | 0 | 119.9 | D545 | H543-D545 PolarHBondContact O-N 3.24Š| ||
| 544 | D | 24.6 | Very low | 26 | Very low | 155 Ų | 155 | 153.6 Ų | 153.6 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -58.8 | 112 | 153.5 | -66.6 | -54.5 | 0 | 0 | 0 | 111.2 | ||||
| 545 | D | 27.9 | Very low | 25.9 | Very low | 152 Ų | 152 | 154.5 Ų | 154.5 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -101.1 | 108.1 | 159.3 | -89 | -28.3 | 0 | 0 | 0 | 109.1 | H543 I547 | H543-D545 PolarHBondContact O-N 3.24Å; D545-I547 PolarHBondContact O-N 2.71Å | ||
| 546 | K | 26.5 | Very low | 25.9 | Very low | 196 Ų | 196 | 157.3 Ų | 157.3 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 118.8 | 170.4 | -72.5 | 175.9 | 174 | 179 | 0 | 109.1 | ||
| 547 | I | 28.3 | Very low | 25.8 | Very low | 162 Ų | 162 | 156.9 Ų | 156.9 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 116.6 | 166.6 | -64.8 | 175.3 | 0 | 0 | 0 | 107.4 | D545 | D545-I547 PolarHBondContact O-N 2.71Š|
| 548 | D | 27 | Very low | 25.6 | Very low | 153 Ų | 153 | 154 Ų | 154 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 127.3 | 180 | -84 | -41.1 | 0 | 0 | 0 | 112.6 | ||
| 549 | E | 22.6 | Very low | 25.4 | Very low | 181 Ų | 181 | 155.4 Ų | 155.4 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -71.3 | 114.6 | 161.2 | -65.6 | 177.6 | 155.4 | 0 | 0 | 109 | ||||
| 550 | N | 26.6 | Very low | 25.4 | Very low | 146 Ų | 146 | 154.5 Ų | 154.5 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | trans | -176.9 | 101.5 | 151.1 | -96.6 | -31.9 | 0 | 0 | 0 | 110 | ||||
| 551 | N | 27.6 | Very low | 25.1 | Very low | 165 Ų | 165 | 155 Ų | 155 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -156.2 | 78 | 151.5 | -91.9 | -32.5 | 0 | 0 | 0 | 108.9 | C553 | N551-C553 PolarHBondContact O-N 2.66Š| ||
| 552 | D | 23.7 | Very low | 25 | Very low | 160 Ų | 160 | 156.4 Ų | 156.4 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -66.3 | 104.9 | 161.1 | -89.9 | -32.6 | 0 | 0 | 0 | 109.2 | ||||
| 553 | C | 24.6 | Very low | 24.7 | Very low | 118 Ų | 118 | 155.4 Ų | 155.4 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -120.8 | 106.4 | 162.8 | -91.7 | 0 | 0 | 0 | 0 | 109.8 | N551 M555 | N551-C553 PolarHBondContact O-N 2.66Å; C553-M555 PolarHBondContact O-N 3.38Å | ||
| 554 | Q | 22.3 | Very low | 24.4 | Very low | 180 Ų | 180 | 156.5 Ų | 156.5 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | -57.8 | 114.8 | 170.7 | -66.5 | 174.4 | -0.9 | 0 | 0 | 110.8 | ||||
| 555 | M | 24.4 | Very low | 24.5 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | trans | -114.6 | 102.4 | 158.7 | -82.2 | -71.4 | -177.5 | 0 | 0 | 108.9 | C553 | C553-M555 PolarHBondContact O-N 3.38Š| ||
| 556 | K | 22.6 | Very low | 24.6 | Very low | 197 Ų | 197 | 152 Ų | 152 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 110.6 | 165.7 | -75.4 | 176.3 | 175 | 174.4 | 0 | 108.5 | ||||
| 557 | S | 25 | Very low | 25.3 | Very low | 91 Ų | 91 | 148 Ų | 148 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -149.5 | 113.2 | 153.7 | 59.6 | 0 | 0 | 0 | 0 | 109.3 | H559 | S557-H559 PolarHBondContact O-N 3.14Š| ||
| 558 | G | 22.6 | Very low | 26.5 | Very low | 84 Ų | 84 | 143.1 Ų | 143.1 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | -65.2 | 104 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 559 | H | 23.2 | Very low | 28.3 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -89.1 | 108.7 | 158.7 | -83.8 | -66 | 0 | 0 | 0 | 108 | S557 K561 | S557-H559 PolarHBondContact O-N 3.14Å; H559-K561 VanDerWaalsContact C-N 3.34Å; H559-K561 PolarHBondContact O-N 3.01Å | ||
| 560 | V | 23.9 | Very low | 31 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | trans | -51.6 | 102.2 | 162.2 | 176.3 | 0 | 0 | 0 | 0 | 106.4 | E562 | V560-E562 VanDerWaalsContact C-N 3.29Å; V560-E562 PolarHBondContact O-N 3.43Å | ||
| 561 | K | 22.9 | Very low | 33.7 | Very low | 193 Ų | 193 | 125.4 Ų | 125.4 | 84% | 0.839 | 67% | 0.666 | S | S | * | * | trans | -66.3 | 96.3 | 169.4 | -82.2 | -178 | 173.4 | -179.7 | 0 | 106.2 | H559 T563 | H559-K561 VanDerWaalsContact C-N 3.34Å; H559-K561 PolarHBondContact O-N 3.01Å; K561-T563 PolarHBondContact O-N 2.95Å | ||
| 562 | E | 22.3 | Very low | 36.7 | Very low | 143 Ų | 143 | 117.5 Ų | 117.5 | 67% | 0.668 | 62% | 0.624 | S | S | * | * | trans | -52.9 | 112.4 | 156.8 | -75.3 | -175.5 | 158 | 0 | 0 | 106.4 | V560 Y564 | V560-E562 VanDerWaalsContact C-N 3.29Å; V560-E562 PolarHBondContact O-N 3.43Å; E562-Y564 PolarHBondContact O-N 3.2Å | ||
| 563 | T | 21.9 | Very low | 39.8 | Very low | 134 Ų | 134 | 110.5 Ų | 110.5 | 82% | 0.822 | 59% | 0.586 | S | S | * | * | trans | -63.9 | 86.5 | 172.5 | 41.7 | 0 | 0 | 0 | 0 | 107.6 | K561 T565 | K561-T563 PolarHBondContact O-N 2.95Å; T563-T565 PolarHBondContact O-N 3.31Å | ||
| 564 | Y | 22.3 | Very low | 42.9 | Very low | 195 Ų | 195 | 109.1 Ų | 109.1 | 77% | 0.765 | 57% | 0.566 | S | S | * | * | trans | -57.7 | 106.6 | 156.1 | -80.5 | -91 | 0 | 0 | 0 | 105.6 | E562 P566 | E562-Y564 PolarHBondContact O-N 3.2Å; Y564-P566 WeakPolarHBondContact O-CD 3.26Å | ||
| 565 | T | 25.5 | Very low | 46.2 | Very low | 118 Ų | 118 | 100.5 Ų | 100.5 | 72% | 0.724 | 53% | 0.526 | S | S | * | . | trans | -53.8 | 112.8 | 156.8 | 44.1 | 0 | 0 | 0 | 0 | 105 | T563 I567 | T563-T565 PolarHBondContact O-N 3.31Å; T565-I567 PolarHBondContact O-N 3.39Å | ||
| 566 | P | 29.8 | Very low | 49.5 | Very low | 94 Ų | 94 | 92 Ų | 92 | 61% | 0.61 | 48% | 0.484 | S | S | * | . | trans | -58 | 115 | 176.5 | 23.7 | -29.8 | 0 | 0 | 0 | 104.9 | Y564 N568 | Y564-P566 WeakPolarHBondContact O-CD 3.26Å; P566-N568 PolarHBondContact O-N 2.97Å | ||
| 567 | I | 42.9 | Very low | 52.8 | Low | 113 Ų | 113 | 84.1 Ų | 84.1 | 58% | 0.579 | 46% | 0.456 | S | S | * | . | trans | -61.8 | 104.3 | 167.8 | -62.4 | 170.5 | 0 | 0 | 0 | 102.5 | T565 Y569 | T565-I567 PolarHBondContact O-N 3.39Å; I567-Y569 VanDerWaalsContact C-N 3.29Å; I567-Y569 HydrophobicContact CB-CE1 4.31Å; I567-Y569 HydrophobicContact CG2-CD1 4.33Å; I567-Y569 HydrophobicContact CG2-CE1 4.33Å; I567-Y569 PolarHBondContact O-N 2.92Å | ||
| 568 | N | 52.3 | Low | 56 | Low | 59 Ų | 59 | 80.1 Ų | 80.1 | 32% | 0.316 | 43% | 0.427 | S | S | . | . | trans | -62.2 | 99.7 | 178.9 | -95.9 | -40.6 | 0 | 0 | 0 | 106.8 | T503 E505 P566 S570 | T503-N568 HydrophobicContact CG2-CB 3.62Å; E505-N568 PolarHBondContact OE1-ND2 3.31Å; E505-N568 PolarHBondContact OE2-ND2 3.39Å; P566-N568 PolarHBondContact O-N 2.97Å; N568-S570 PolarHBondContact O-N 3.29Å | ||
| 569 | Y | 65.3 | Low | 59.3 | Low | 97 Ų | 97 | 76.2 Ų | 76.2 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | trans | -62.7 | 129.4 | -175.8 | -63.9 | -59 | 0 | 0 | 0 | 109.1 | I567 H573 Q654 | I567-Y569 VanDerWaalsContact C-N 3.29Å; I567-Y569 HydrophobicContact CB-CE1 4.31Å; I567-Y569 HydrophobicContact CG2-CD1 4.33Å; I567-Y569 HydrophobicContact CG2-CE1 4.33Å; I567-Y569 PolarHBondContact O-N 2.92Å; Y569-H573 AromaticContact CD1-CE1 3.07Å; Y569-H573 WeakPolarHBondContact CD1-CE1 3.3Å; Y569-H573 AromaticContact CD1-CG 3.87Å; Y569-H573 AromaticContact CD1-ND1 3.27Å; Y569-H573 VanDerWaalsContact CD1-ND1 3.27Å; Y569-H573 WeakPolarHBondContact CD1-ND1 3.44Å; Y569-H573 AromaticContact CD1-NE2 3.62Å; Y569-H573 AromaticContact CE1-CE1 3.23Å; Y569-H573 WeakPolarHBondContact CE1-CE1 3.4Å; Y569-H573 AromaticContact CE1-ND1 3.85Å; Y569-H573 AromaticContact CE1-NE2 3.84Å; Y569-H573 AromaticContact CG-CE1 3.85Å; Y569-H573 AromaticContact CG-NE2 3.96Å; Y569-Q654 PolarHBondContact OH-NE2 3.34Å | ||
| 570 | S | 79.4 | Confident | 62.6 | Low | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.028 | 35% | 0.354 | C | S | . | . | trans | -57.6 | 152.5 | 173.4 | 61.9 | 0 | 0 | 0 | 0 | 110.3 | N568 L572 H573 K574 | N568-S570 PolarHBondContact O-N 3.29Å; S570-L572 PolarHBondContact O-N 3.45Å; S570-H573 WeakPolarHBondContact O-CB 3.08Å; S570-H573 PolarHBondContact O-N 3.39Å; S570-H573 WeakPolarHBondContact OG-CB 3.33Å; S570-H573 PolarHBondContact OG-N 2.82Å; S570-K574 PolarHBondContact O-N 2.85Å | ||
| 571 | T | 84.1 | Confident | 65.8 | Low | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.043 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.7 | -37.1 | 172 | -50.1 | 0 | 0 | 0 | 0 | 110.5 | T458 L500 H573 K574 I575 | T458-T571 HydrophobicContact CG2-CG2 3.54Å; L500-T571 WeakPolarHBondContact O-CB 3.42Å; L500-T571 PolarHBondContact O-N 2.97Å; T571-H573 PolarHBondContact O-N 2.95Å; T571-K574 PolarHBondContact O-N 3.03Å; T571-I575 HydrophobicContact CG2-CD1 4.01Å; T571-I575 VanDerWaalsContact O-CG1 3.26Å; T571-I575 WeakPolarHBondContact O-CG1 3.34Å; T571-I575 PolarHBondContact O-N 3.09Å |
| 572 | L | 88.8 | Confident | 68.7 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 172.7 | -177.2 | 62.8 | 0 | 0 | 0 | 112.4 | F492 L500 S570 K574 I575 I576 I649 I655 | F492-L572 HydrophobicContact CE1-CD1 4.22Å; F492-L572 HydrophobicContact CZ-CD1 4.16Å; L500-L572 HydrophobicContact CB-CB 4.18Å; L500-L572 HydrophobicContact CD1-CD1 4.43Å; L500-L572 HydrophobicContact CD1-CD2 4.43Å; L500-L572 PolarHBondContact O-N 2.87Å; S570-L572 PolarHBondContact O-N 3.45Å; L572-K574 PolarHBondContact O-N 3.38Å; L572-I575 PolarHBondContact O-N 2.9Å; L572-I576 HydrophobicContact CD1-CD1 3.76Å; L572-I576 HydrophobicContact CD1-CG1 4.17Å; L572-I576 HydrophobicContact CD2-CD1 4.41Å; L572-I576 HydrophobicContact CG-CD1 3.72Å; L572-I576 HydrophobicContact CG-CG1 4.43Å; L572-I576 VanDerWaalsContact O-CG1 3.29Å; L572-I576 WeakPolarHBondContact O-CG1 3.23Å; L572-I576 PolarHBondContact O-N 3.27Å; L572-I649 HydrophobicContact CD2-CD1 3.72Å; L572-I649 HydrophobicContact CD2-CG1 3.97Å; L572-I655 HydrophobicContact CD2-CD1 4.19Å; L572-I655 HydrophobicContact CG-CD1 4.43Å |
| 573 | H | 90.4 | Very high | 71.7 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.8 | -51.3 | 175 | 178.3 | 136.9 | 0 | 0 | 0 | 111 | Y569 S570 T571 I575 I576 A577 D652 Q654 I655 | Y569-H573 AromaticContact CD1-CE1 3.07Å; Y569-H573 WeakPolarHBondContact CD1-CE1 3.3Å; Y569-H573 AromaticContact CD1-CG 3.87Å; Y569-H573 AromaticContact CD1-ND1 3.27Å; Y569-H573 VanDerWaalsContact CD1-ND1 3.27Å; Y569-H573 WeakPolarHBondContact CD1-ND1 3.44Å; Y569-H573 AromaticContact CD1-NE2 3.62Å; Y569-H573 AromaticContact CE1-CE1 3.23Å; Y569-H573 WeakPolarHBondContact CE1-CE1 3.4Å; Y569-H573 AromaticContact CE1-ND1 3.85Å; Y569-H573 AromaticContact CE1-NE2 3.84Å; Y569-H573 AromaticContact CG-CE1 3.85Å; Y569-H573 AromaticContact CG-NE2 3.96Å; S570-H573 WeakPolarHBondContact O-CB 3.08Å; S570-H573 PolarHBondContact O-N 3.39Å; S570-H573 WeakPolarHBondContact OG-CB 3.33Å; S570-H573 PolarHBondContact OG-N 2.82Å; T571-H573 PolarHBondContact O-N 2.95Å; H573-I575 PolarHBondContact O-N 3.22Å; H573-I576 PolarHBondContact O-N 3.04Å; H573-I576 VanDerWaalsContact O-N 3.15Å; H573-A577 VanDerWaalsContact O-CB 3.3Å; H573-A577 WeakPolarHBondContact O-CB 3.07Å; H573-A577 PolarHBondContact O-N 2.9Å; H573-D652 IonicContact CE1-OD1 3.83Å; H573-D652 IonicContact CE1-OD2 2.91Å; H573-D652 IonicContact CG-OD2 3.05Å; H573-D652 IonicContact ND1-OD1 2.88Å; H573-D652 PolarHBondContact ND1-OD1 3.37Å; H573-D652 IonicContact ND1-OD2 3.96Å; H573-D652 PolarHBondContact ND1-OD2 3.4Å; H573-Q654 WeakPolarHBondContact CE1-CB 3.4Å; H573-Q654 PolarHBondContact CE1-OE1 2.73Å; H573-Q654 PolarHBondContact NE2-OE1 3.02Å; H573-I655 HydrophobicContact CB-CD1 4.44Å; H573-I655 HydrophobicContact CB-CG1 4.1Å |
| 574 | K | 89.5 | Confident | 74.8 | Confident | 89 Ų | 89 | 51.7 Ų | 51.7 | 39% | 0.387 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.3 | -42.8 | -178 | -66.7 | -178.8 | -177.3 | 179.6 | 0 | 111.2 | D504 S570 T571 L572 Y578 | D504-K574 IonicContact OD2-NZ 2.71Å; D504-K574 PolarHBondContact OD2-NZ 3.25Å; S570-K574 PolarHBondContact O-N 2.85Å; T571-K574 PolarHBondContact O-N 3.03Å; L572-K574 PolarHBondContact O-N 3.38Å; K574-Y578 WeakPolarHBondContact O-CB 3.27Å; K574-Y578 PolarHBondContact O-N 3.07Å |
| 575 | I | 91.5 | Very high | 77.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.9 | -42 | -179.8 | -58.6 | 167.4 | 0 | 0 | 0 | 111.9 | T458 W461 W462 L488 F492 T571 L572 H573 A577 Y578 L579 | T458-I575 HydrophobicContact CG2-CD1 4.24Å; W461-I575 HydrophobicContact CH2-CD1 3.98Å; W461-I575 HydrophobicContact CZ3-CD1 4.25Å; W462-I575 HydrophobicContact CB-CD1 4.42Å; W462-I575 HydrophobicContact CD2-CD1 3.76Å; W462-I575 HydrophobicContact CD2-CG1 3.43Å; W462-I575 VanDerWaalsContact CD2-CG1 3.43Å; W462-I575 HydrophobicContact CE3-CB 4.47Å; W462-I575 HydrophobicContact CE3-CD1 3.69Å; W462-I575 HydrophobicContact CE3-CG1 3.51Å; W462-I575 HydrophobicContact CE3-CG2 4.2Å; W462-I575 HydrophobicContact CG-CD1 4.08Å; W462-I575 HydrophobicContact CG-CG1 4.06Å; W462-I575 HydrophobicContact CH2-CB 4.14Å; W462-I575 HydrophobicContact CH2-CG1 3.84Å; W462-I575 HydrophobicContact CH2-CG2 3.75Å; W462-I575 HydrophobicContact CZ2-CB 4.35Å; W462-I575 HydrophobicContact CZ2-CG1 3.79Å; W462-I575 HydrophobicContact CZ2-CG2 4.46Å; W462-I575 HydrophobicContact CZ3-CB 4.2Å; W462-I575 HydrophobicContact CZ3-CD1 4.24Å; W462-I575 HydrophobicContact CZ3-CG1 3.71Å; W462-I575 HydrophobicContact CZ3-CG2 3.61Å; L488-I575 HydrophobicContact CD1-CG2 4.25Å; L488-I575 HydrophobicContact CD2-CG2 4.12Å; F492-I575 HydrophobicContact CE1-CB 4.29Å; F492-I575 HydrophobicContact CE1-CD1 3.35Å; F492-I575 HydrophobicContact CE1-CG1 4.38Å; F492-I575 HydrophobicContact CE1-CG2 4.15Å; F492-I575 HydrophobicContact CE2-CB 4.48Å; F492-I575 HydrophobicContact CE2-CG2 3.66Å; F492-I575 HydrophobicContact CZ-CB 3.57Å; F492-I575 HydrophobicContact CZ-CD1 3.55Å; F492-I575 HydrophobicContact CZ-CG1 4.12Å; F492-I575 HydrophobicContact CZ-CG2 3.18Å; T571-I575 HydrophobicContact CG2-CD1 4.01Å; T571-I575 VanDerWaalsContact O-CG1 3.26Å; T571-I575 WeakPolarHBondContact O-CG1 3.34Å; T571-I575 PolarHBondContact O-N 3.09Å; L572-I575 PolarHBondContact O-N 2.9Å; H573-I575 PolarHBondContact O-N 3.22Å; I575-A577 VanDerWaalsContact C-N 3.31Å; I575-A577 PolarHBondContact O-N 3.43Å; I575-Y578 WeakPolarHBondContact O-CB 3.37Å; I575-Y578 PolarHBondContact O-N 3.3Å; I575-L579 HydrophobicContact CG2-CD1 4.34Å; I575-L579 HydrophobicContact CG2-CG 4.42Å; I575-L579 WeakPolarHBondContact O-CG 3.31Å; I575-L579 PolarHBondContact O-N 3.17Å |
| 576 | I | 92.9 | Very high | 80.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.5 | -37.8 | 177.9 | -65.2 | 172.6 | 0 | 0 | 0 | 110.5 | L572 H573 Y578 L579 S580 C603 I655 C658 L659 I662 | L572-I576 HydrophobicContact CD1-CD1 3.76Å; L572-I576 HydrophobicContact CD1-CG1 4.17Å; L572-I576 HydrophobicContact CD2-CD1 4.41Å; L572-I576 HydrophobicContact CG-CD1 3.72Å; L572-I576 HydrophobicContact CG-CG1 4.43Å; L572-I576 VanDerWaalsContact O-CG1 3.29Å; L572-I576 WeakPolarHBondContact O-CG1 3.23Å; L572-I576 PolarHBondContact O-N 3.27Å; H573-I576 PolarHBondContact O-N 3.04Å; H573-I576 VanDerWaalsContact O-N 3.15Å; I576-Y578 VanDerWaalsContact C-N 3.31Å; I576-L579 PolarHBondContact O-N 3.4Å; I576-S580 WeakPolarHBondContact O-CB 2.91Å; I576-S580 PolarHBondContact O-N 2.99Å; I576-C603 HydrophobicContact CD1-CB 3.92Å; I576-C603 HydrophobicContact CG1-CB 4.46Å; I576-I655 HydrophobicContact CD1-CG2 3.66Å; I576-C658 HydrophobicContact CG2-CB 3.49Å; I576-C658 VanDerWaalsContact CG2-CB 3.49Å; I576-L659 HydrophobicContact CD1-CD1 4.46Å; I576-L659 HydrophobicContact CD1-CD2 4.2Å; I576-L659 HydrophobicContact CD1-CG 4.33Å; I576-L659 HydrophobicContact CG1-CD2 4.45Å; I576-L659 HydrophobicContact CG2-CD2 3.91Å; I576-L659 HydrophobicContact CG2-CG 3.99Å; I576-I662 HydrophobicContact CG2-CD1 4.17Å |
| 577 | A | 91.8 | Very high | 82.6 | Confident | 32 Ų | 32 | 35.1 Ų | 35.1 | 26% | 0.264 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.8 | -35.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H573 I575 S580 | H573-A577 VanDerWaalsContact O-CB 3.3Å; H573-A577 WeakPolarHBondContact O-CB 3.07Å; H573-A577 PolarHBondContact O-N 2.9Å; I575-A577 VanDerWaalsContact C-N 3.31Å; I575-A577 PolarHBondContact O-N 3.43Å; A577-S580 PolarHBondContact O-N 3.33Å; A577-S580 PolarHBondContact O-OG 3.22Å |
| 578 | Y | 92.3 | Very high | 83.9 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -49.7 | 170 | 177.4 | -95.5 | 0 | 0 | 0 | 111.6 | W462 L469 D470 K574 I575 I576 S580 Q581 L584 | W462-Y578 AromaticContact CH2-CD1 3.68Å; W462-Y578 HydrophobicContact CH2-CD1 3.68Å; W462-Y578 HydrophobicContact CH2-CE1 4.25Å; W462-Y578 AromaticContact CH2-CG 3.87Å; W462-Y578 HydrophobicContact CH2-CG 3.87Å; W462-Y578 HydrophobicContact CZ2-CD1 4.38Å; W462-Y578 HydrophobicContact CZ2-CG 4.11Å; L469-Y578 HydrophobicContact CB-CE1 3.94Å; L469-Y578 VanDerWaalsContact CB-OH 3.26Å; L469-Y578 WeakPolarHBondContact CB-OH 3.47Å; L469-Y578 HydrophobicContact CD1-CE1 4.01Å; D470-Y578 PolarHBondContact N-OH 2.91Å; D470-Y578 WeakPolarHBondContact OD1-CE2 3.18Å; D470-Y578 VanDerWaalsContact OD1-CZ 3.26Å; D470-Y578 PolarHBondContact OD1-OH 3.45Å; K574-Y578 WeakPolarHBondContact O-CB 3.27Å; K574-Y578 PolarHBondContact O-N 3.07Å; I575-Y578 WeakPolarHBondContact O-CB 3.37Å; I575-Y578 PolarHBondContact O-N 3.3Å; I576-Y578 VanDerWaalsContact C-N 3.31Å; Y578-S580 PolarHBondContact O-N 3.36Å; Y578-S580 VanDerWaalsContact O-N 3.16Å; Y578-Q581 VanDerWaalsContact O-CB 3.28Å; Y578-Q581 WeakPolarHBondContact O-CB 3.04Å; Y578-Q581 WeakPolarHBondContact O-CG 3.43Å; Y578-Q581 PolarHBondContact O-N 2.78Å; Y578-Q581 VanDerWaalsContact O-N 3.08Å; Y578-L584 HydrophobicContact CD1-CD1 3.6Å; Y578-L584 HydrophobicContact CE1-CD1 3.24Å; Y578-L584 HydrophobicContact CE2-CD1 4.39Å; Y578-L584 HydrophobicContact CG-CD1 4.33Å; Y578-L584 WeakPolarHBondContact O-CD1 3.22Å |
| 579 | L | 93 | Very high | 85.2 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -20.1 | 178.5 | -66.7 | 177.9 | 0 | 0 | 0 | 113.7 | L485 L488 I575 I576 Q581 L584 L596 C599 I662 | L485-L579 HydrophobicContact CD2-CD2 3.88Å; L488-L579 HydrophobicContact CD2-CD1 4.18Å; L488-L579 HydrophobicContact CD2-CD2 3.94Å; L488-L579 HydrophobicContact CD2-CG 4.4Å; I575-L579 HydrophobicContact CG2-CD1 4.34Å; I575-L579 HydrophobicContact CG2-CG 4.42Å; I575-L579 WeakPolarHBondContact O-CG 3.31Å; I575-L579 PolarHBondContact O-N 3.17Å; I576-L579 PolarHBondContact O-N 3.4Å; L579-Q581 VanDerWaalsContact C-N 3.33Å; L579-L584 HydrophobicContact CD2-CD1 4.47Å; L579-L596 HydrophobicContact CB-CD1 4.08Å; L579-L596 HydrophobicContact CD1-CD1 4.39Å; L579-L596 HydrophobicContact CD2-CD1 3.93Å; L579-L596 HydrophobicContact CG-CD1 4.36Å; L579-C599 HydrophobicContact CD1-CB 3.74Å; L579-I662 HydrophobicContact CB-CD1 3.82Å |
| 580 | S | 91.9 | Very high | 85.7 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.7 | 176.8 | 76.4 | 0 | 0 | 0 | 0 | 113.9 | I576 A577 Y578 I585 R741 | I576-S580 WeakPolarHBondContact O-CB 2.91Å; I576-S580 PolarHBondContact O-N 2.99Å; A577-S580 PolarHBondContact O-N 3.33Å; A577-S580 PolarHBondContact O-OG 3.22Å; Y578-S580 PolarHBondContact O-N 3.36Å; Y578-S580 VanDerWaalsContact O-N 3.16Å; S580-I585 WeakPolarHBondContact O-CD1 3.44Å; S580-R741 VanDerWaalsContact O-CZ 3.24Å; S580-R741 PolarHBondContact O-NH1 2.9Å; S580-R741 PolarHBondContact O-NH2 3.31Å |
| 581 | Q | 90.3 | Very high | 85.7 | Confident | 81 Ų | 81 | 33.9 Ų | 33.9 | 38% | 0.379 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -59.9 | 148.3 | 174.6 | -71.2 | 178 | 0 | 0 | 0 | 112.2 | Y578 L579 E583 L584 I585 | Y578-Q581 VanDerWaalsContact O-CB 3.28Å; Y578-Q581 WeakPolarHBondContact O-CB 3.04Å; Y578-Q581 WeakPolarHBondContact O-CG 3.43Å; Y578-Q581 PolarHBondContact O-N 2.78Å; Y578-Q581 VanDerWaalsContact O-N 3.08Å; L579-Q581 VanDerWaalsContact C-N 3.33Å; Q581-E583 VanDerWaalsContact C-N 3.28Å; Q581-E583 PolarHBondContact O-N 3.01Å; Q581-L584 PolarHBondContact O-N 3Å; Q581-I585 WeakPolarHBondContact O-CG1 3.31Å; Q581-I585 PolarHBondContact O-N 3.35Å |
| 582 | N | 84.9 | Confident | 85.8 | Confident | 42 Ų | 42 | 33.5 Ų | 33.5 | 23% | 0.225 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -40 | -176.5 | -82.3 | -9.1 | 0 | 0 | 0 | 111.3 | L584 I585 S586 R741 I757 | N582-L584 VanDerWaalsContact C-N 3.34Å; N582-L584 PolarHBondContact O-N 2.95Å; N582-I585 PolarHBondContact O-N 3.31Å; N582-S586 WeakPolarHBondContact O-CB 3.48Å; N582-S586 PolarHBondContact O-N 3.16Å; N582-S586 PolarHBondContact O-OG 3.46Å; N582-R741 PolarHBondContact OD1-NH2 3.29Å; N582-I757 HydrophobicContact CB-CD1 3.9Å; N582-I757 WeakPolarHBondContact O-CD1 3.32Å |
| 583 | E | 84.7 | Confident | 85.5 | Confident | 120 Ų | 120 | 33.8 Ų | 33.8 | 56% | 0.561 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -58.5 | -44.5 | 179.6 | -62.3 | 79.2 | -173.8 | 0 | 0 | 111.1 | Q581 S586 | Q581-E583 VanDerWaalsContact C-N 3.28Å; Q581-E583 PolarHBondContact O-N 3.01Å; E583-S586 PolarHBondContact O-N 3.32Å; E583-S586 PolarHBondContact O-OG 3.44Å |
| 584 | L | 86.9 | Confident | 85 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.3 | -35.5 | 178.2 | -82.9 | 160.5 | 0 | 0 | 0 | 113.6 | T473 L481 Y578 L579 Q581 N582 S586 V587 | T473-L584 HydrophobicContact CG2-CD1 4.39Å; T473-L584 HydrophobicContact CG2-CD2 3.36Å; T473-L584 HydrophobicContact CG2-CG 3.68Å; L481-L584 HydrophobicContact CD1-CD2 4.16Å; Y578-L584 HydrophobicContact CD1-CD1 3.6Å; Y578-L584 HydrophobicContact CE1-CD1 3.24Å; Y578-L584 HydrophobicContact CE2-CD1 4.39Å; Y578-L584 HydrophobicContact CG-CD1 4.33Å; Y578-L584 WeakPolarHBondContact O-CD1 3.22Å; L579-L584 HydrophobicContact CD2-CD1 4.47Å; Q581-L584 PolarHBondContact O-N 3Å; N582-L584 VanDerWaalsContact C-N 3.34Å; N582-L584 PolarHBondContact O-N 2.95Å; L584-S586 PolarHBondContact O-N 3.44Å; L584-V587 VanDerWaalsContact O-CB 3.27Å; L584-V587 WeakPolarHBondContact O-CB 3.46Å; L584-V587 WeakPolarHBondContact O-CG2 3.33Å; L584-V587 PolarHBondContact O-N 3.28Å |
| 585 | I | 84.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.8 | -31.3 | 173.6 | -70.3 | 177.5 | 0 | 0 | 0 | 110.9 | S580 Q581 N582 V587 I662 G665 T669 I757 | S580-I585 WeakPolarHBondContact O-CD1 3.44Å; Q581-I585 WeakPolarHBondContact O-CG1 3.31Å; Q581-I585 PolarHBondContact O-N 3.35Å; N582-I585 PolarHBondContact O-N 3.31Å; I585-V587 PolarHBondContact O-N 3.39Å; I585-V587 VanDerWaalsContact O-N 3.14Å; I585-I662 HydrophobicContact CD1-CG1 4.47Å; I585-G665 VanDerWaalsContact CG2-CA 3.46Å; I585-T669 HydrophobicContact CG2-CG2 4.48Å; I585-I757 HydrophobicContact CG2-CG2 3.87Å |
| 586 | S | 80.2 | Confident | 84.8 | Confident | 45 Ų | 45 | 29.5 Ų | 29.5 | 32% | 0.315 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 0.1 | 179.5 | 81.4 | 0 | 0 | 0 | 0 | 114.5 | N582 E583 L584 I588 | N582-S586 WeakPolarHBondContact O-CB 3.48Å; N582-S586 PolarHBondContact O-N 3.16Å; N582-S586 PolarHBondContact O-OG 3.46Å; E583-S586 PolarHBondContact O-N 3.32Å; E583-S586 PolarHBondContact O-OG 3.44Å; L584-S586 PolarHBondContact O-N 3.44Å; S586-I588 WeakPolarHBondContact O-CG2 3.4Å; S586-I588 PolarHBondContact O-N 2.75Å |
| 587 | V | 76.5 | Confident | 84.5 | Confident | 12 Ų | 12 | 29.7 Ų | 29.7 | 7% | 0.073 | 16% | 0.162 | C | C | . | . | trans | -52.7 | 114.5 | -179 | 166.3 | 0 | 0 | 0 | 0 | 111.6 | L481 L584 I585 A592 K593 | L481-V587 HydrophobicContact CD2-CG1 4.38Å; L481-V587 HydrophobicContact CD2-CG2 3.48Å; L481-V587 VanDerWaalsContact CD2-CG2 3.48Å; L584-V587 VanDerWaalsContact O-CB 3.27Å; L584-V587 WeakPolarHBondContact O-CB 3.46Å; L584-V587 WeakPolarHBondContact O-CG2 3.33Å; L584-V587 PolarHBondContact O-N 3.28Å; I585-V587 PolarHBondContact O-N 3.39Å; I585-V587 VanDerWaalsContact O-N 3.14Å; V587-A592 HydrophobicContact CG1-CB 3.17Å; V587-K593 HydrophobicContact CG1-CG 4.41Å; V587-K593 WeakPolarHBondContact O-CE 3.31Å | ||
| 588 | I | 70.5 | Confident | 84.3 | Confident | 150 Ų | 150 | 29.2 Ų | 29.2 | 77% | 0.769 | 15% | 0.154 | S | C | * | . | trans | -85.3 | -25.4 | -173.6 | 60.1 | 173.3 | 0 | 0 | 0 | 113.3 | S586 | S586-I588 WeakPolarHBondContact O-CG2 3.4Å; S586-I588 PolarHBondContact O-N 2.75Å | ||
| 589 | S | 79.3 | Confident | 84.3 | Confident | 23 Ų | 23 | 28.9 Ų | 28.9 | 16% | 0.161 | 15% | 0.153 | C | C | . | . | trans | -79.9 | 137.3 | -174.4 | 90.7 | 0 | 0 | 0 | 0 | 111.4 | P478 N591 A592 K593 | P478-S589 WeakPolarHBondContact CB-OG 3.26Å; S589-N591 VanDerWaalsContact C-N 3.26Å; S589-N591 PolarHBondContact O-N 3.38Å; S589-A592 PolarHBondContact O-N 3.37Å; S589-A592 WeakPolarHBondContact OG-CB 3.46Å; S589-A592 PolarHBondContact OG-N 3.21Å; S589-K593 PolarHBondContact O-N 3.32Å | ||
| 590 | I | 76.9 | Confident | 84.3 | Confident | 48 Ų | 48 | 28.8 Ų | 28.8 | 25% | 0.246 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.5 | -44.6 | 179 | -74.6 | 165.3 | 0 | 0 | 0 | 111.4 | N387 A592 K593 A594 F680 | N387-I590 HydrophobicContact CB-CG2 3.79Å; N387-I590 WeakPolarHBondContact ND2-CG2 3.41Å; I590-A592 PolarHBondContact O-N 3.18Å; I590-K593 PolarHBondContact O-N 2.98Å; I590-A594 PolarHBondContact O-N 3.08Å; I590-F680 HydrophobicContact CB-CE1 4.01Å; I590-F680 HydrophobicContact CB-CZ 4.39Å; I590-F680 HydrophobicContact CD1-CD1 4.36Å; I590-F680 HydrophobicContact CD1-CE1 4.42Å; I590-F680 HydrophobicContact CG1-CD1 4.27Å; I590-F680 HydrophobicContact CG1-CE1 3.87Å; I590-F680 HydrophobicContact CG2-CD1 3.95Å; I590-F680 HydrophobicContact CG2-CE1 3.17Å; I590-F680 HydrophobicContact CG2-CE2 3.92Å; I590-F680 HydrophobicContact CG2-CZ 3.2Å |
| 591 | N | 79.5 | Confident | 84.3 | Confident | 26 Ų | 26 | 30.1 Ų | 30.1 | 14% | 0.139 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.8 | -38.9 | -176.2 | -64.3 | -6.5 | 0 | 0 | 0 | 111.7 | N387 A482 S589 A594 G595 | N387-N591 VanDerWaalsContact CG-OD1 3.26Å; N387-N591 PolarHBondContact ND2-OD1 3.33Å; N387-N591 PolarHBondContact OD1-OD1 2.74Å; N387-N591 VanDerWaalsContact OD1-OD1 3.1Å; A482-N591 HydrophobicContact CB-CB 3.61Å; S589-N591 VanDerWaalsContact C-N 3.26Å; S589-N591 PolarHBondContact O-N 3.38Å; N591-A594 PolarHBondContact O-N 3.49Å; N591-G595 PolarHBondContact O-N 2.99Å |
| 592 | A | 85.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -74.3 | -30.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L481 A482 L485 V587 S589 I590 G595 L596 | L481-A592 HydrophobicContact CB-CB 4.5Å; L481-A592 HydrophobicContact CD2-CB 4.29Å; L481-A592 HydrophobicContact CG-CB 4.2Å; A482-A592 HydrophobicContact CB-CB 3.97Å; L485-A592 HydrophobicContact CD1-CB 4.11Å; L485-A592 VanDerWaalsContact CD1-O 3.3Å; L485-A592 WeakPolarHBondContact CD1-O 3.47Å; V587-A592 HydrophobicContact CG1-CB 3.17Å; S589-A592 PolarHBondContact O-N 3.37Å; S589-A592 WeakPolarHBondContact OG-CB 3.46Å; S589-A592 PolarHBondContact OG-N 3.21Å; I590-A592 PolarHBondContact O-N 3.18Å; A592-G595 PolarHBondContact O-N 2.93Å; A592-L596 WeakPolarHBondContact O-CB 3.36Å; A592-L596 PolarHBondContact O-N 3.15Å |
| 593 | K | 82.9 | Confident | 84.6 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 167 | -71.7 | -170.9 | 180 | -164.6 | 0 | 112.6 | V587 S589 I590 G595 L596 L597 T669 W670 | V587-K593 HydrophobicContact CG1-CG 4.41Å; V587-K593 WeakPolarHBondContact O-CE 3.31Å; S589-K593 PolarHBondContact O-N 3.32Å; I590-K593 PolarHBondContact O-N 2.98Å; K593-G595 VanDerWaalsContact C-N 3.35Å; K593-L596 PolarHBondContact O-N 2.94Å; K593-L597 WeakPolarHBondContact O-CB 3.48Å; K593-L597 PolarHBondContact O-N 3.08Å; K593-T669 WeakPolarHBondContact CE-OG1 3.42Å; K593-T669 PolarHBondContact NZ-O 2.67Å; K593-T669 PolarHBondContact NZ-OG1 2.61Å; K593-W670 HydrophobicContact CD-CH2 3.73Å; K593-W670 HydrophobicContact CD-CZ2 3.57Å; K593-W670 HydrophobicContact CD-CZ3 4.34Å |
| 594 | A | 80.1 | Confident | 85 | Confident | 10 Ų | 10 | 18.7 Ų | 18.7 | 8% | 0.083 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I391 I590 N591 L597 E598 | I391-A594 HydrophobicContact CD1-CB 4.22Å; I391-A594 HydrophobicContact CG1-CB 3.88Å; I590-A594 PolarHBondContact O-N 3.08Å; N591-A594 PolarHBondContact O-N 3.49Å; A594-L597 PolarHBondContact O-N 2.88Å; A594-E598 PolarHBondContact O-N 3.2Å |
| 595 | G | 85.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | N591 A592 K593 L597 E598 C599 | N591-G595 PolarHBondContact O-N 2.99Å; A592-G595 PolarHBondContact O-N 2.93Å; K593-G595 VanDerWaalsContact C-N 3.35Å; G595-L597 VanDerWaalsContact C-N 3.33Å; G595-L597 PolarHBondContact O-N 3.28Å; G595-E598 PolarHBondContact O-N 3.36Å; G595-C599 PolarHBondContact O-N 3.47Å; G595-C599 PolarHBondContact O-SG 2.82Å; G595-C599 VanDerWaalsContact O-SG 3.38Å |
| 596 | L | 89.7 | Confident | 85.4 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 176.3 | -178.8 | 57 | 0 | 0 | 0 | 111.8 | L485 L579 A592 K593 E598 C599 V600 I662 T666 | L485-L596 HydrophobicContact CD1-CB 4.22Å; L579-L596 HydrophobicContact CB-CD1 4.08Å; L579-L596 HydrophobicContact CD1-CD1 4.39Å; L579-L596 HydrophobicContact CD2-CD1 3.93Å; L579-L596 HydrophobicContact CG-CD1 4.36Å; A592-L596 WeakPolarHBondContact O-CB 3.36Å; A592-L596 PolarHBondContact O-N 3.15Å; K593-L596 PolarHBondContact O-N 2.94Å; L596-E598 VanDerWaalsContact C-N 3.34Å; L596-C599 WeakPolarHBondContact O-CB 3.35Å; L596-C599 PolarHBondContact O-N 2.94Å; L596-V600 WeakPolarHBondContact O-CG2 3.37Å; L596-V600 PolarHBondContact O-N 3.22Å; L596-V600 VanDerWaalsContact O-N 3.07Å; L596-I662 HydrophobicContact CD1-CG2 4.1Å; L596-I662 HydrophobicContact CD2-CG2 4.14Å; L596-I662 HydrophobicContact CG-CG2 4.01Å; L596-T666 HydrophobicContact CD2-CG2 3.49Å; L596-T666 VanDerWaalsContact CD2-CG2 3.49Å; L596-T666 HydrophobicContact CG-CG2 3.96Å |
| 597 | L | 88 | Confident | 85.9 | Confident | 5 Ų | 5 | 18.8 Ų | 18.8 | 3% | 0.026 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 177 | -164.9 | 65.6 | 0 | 0 | 0 | 112 | K593 A594 G595 V600 Q601 L663 V684 S687 L691 | K593-L597 WeakPolarHBondContact O-CB 3.48Å; K593-L597 PolarHBondContact O-N 3.08Å; A594-L597 PolarHBondContact O-N 2.88Å; G595-L597 VanDerWaalsContact C-N 3.33Å; G595-L597 PolarHBondContact O-N 3.28Å; L597-V600 PolarHBondContact O-N 2.96Å; L597-Q601 VanDerWaalsContact O-CB 3.32Å; L597-Q601 WeakPolarHBondContact O-CB 3.43Å; L597-Q601 PolarHBondContact O-N 2.73Å; L597-L663 HydrophobicContact CD1-CD2 4.15Å; L597-V684 HydrophobicContact CD2-CG1 4.09Å; L597-S687 WeakPolarHBondContact CD2-OG 3.35Å; L597-L691 HydrophobicContact CD1-CD1 3.46Å; L597-L691 VanDerWaalsContact CD1-CD1 3.46Å; L597-L691 HydrophobicContact CG-CD1 3.86Å |
| 598 | E | 87.5 | Confident | 86.6 | Confident | 22 Ų | 22 | 21 Ų | 21 | 10% | 0.103 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.6 | -37.7 | 174.9 | -165.8 | 56.5 | -145 | 0 | 0 | 111.4 | M394 A594 G595 L596 V600 Q601 V602 | M394-E598 HydrophobicContact SD-CG 4.35Å; A594-E598 PolarHBondContact O-N 3.2Å; G595-E598 PolarHBondContact O-N 3.36Å; L596-E598 VanDerWaalsContact C-N 3.34Å; E598-V600 PolarHBondContact O-N 2.91Å; E598-Q601 WeakPolarHBondContact O-CB 3.16Å; E598-Q601 PolarHBondContact O-N 3.02Å; E598-V602 VanDerWaalsContact O-CG2 3.31Å; E598-V602 WeakPolarHBondContact O-CG2 3.49Å; E598-V602 PolarHBondContact O-N 2.97Å |
| 599 | C | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -56.9 | -48.7 | 169.9 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | L485 L579 G595 L596 Q601 V602 C603 | L485-C599 PolarHBondContact O-SG 3.35Å; L485-C599 VanDerWaalsContact O-SG 3.34Å; L579-C599 HydrophobicContact CD1-CB 3.74Å; G595-C599 PolarHBondContact O-N 3.47Å; G595-C599 PolarHBondContact O-SG 2.82Å; G595-C599 VanDerWaalsContact O-SG 3.38Å; L596-C599 WeakPolarHBondContact O-CB 3.35Å; L596-C599 PolarHBondContact O-N 2.94Å; C599-Q601 VanDerWaalsContact C-N 3.34Å; C599-Q601 PolarHBondContact O-N 3Å; C599-V602 PolarHBondContact O-N 3Å; C599-C603 PolarHBondContact O-N 3.04Å; C599-C603 PolarHBondContact O-SG 3.11Å |
| 600 | V | 92.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 178.1 | 171 | 0 | 0 | 0 | 0 | 111.5 | L596 L597 E598 V602 C603 I604 L659 I662 L663 L691 | L596-V600 WeakPolarHBondContact O-CG2 3.37Å; L596-V600 PolarHBondContact O-N 3.22Å; L596-V600 VanDerWaalsContact O-N 3.07Å; L597-V600 PolarHBondContact O-N 2.96Å; E598-V600 PolarHBondContact O-N 2.91Å; V600-V602 VanDerWaalsContact C-N 3.33Å; V600-V602 PolarHBondContact O-N 3.41Å; V600-C603 PolarHBondContact O-N 3.47Å; V600-I604 HydrophobicContact CG1-CD1 3.96Å; V600-I604 WeakPolarHBondContact O-CG1 3.4Å; V600-I604 PolarHBondContact O-N 3.08Å; V600-L659 HydrophobicContact CB-CD2 4.45Å; V600-L659 HydrophobicContact CG1-CD2 4.12Å; V600-L659 HydrophobicContact CG2-CD2 4.28Å; V600-I662 HydrophobicContact CG2-CB 4.15Å; V600-I662 HydrophobicContact CG2-CD1 4.45Å; V600-I662 HydrophobicContact CG2-CG2 3.48Å; V600-I662 VanDerWaalsContact CG2-CG2 3.48Å; V600-L663 HydrophobicContact CG1-CD1 4.35Å; V600-L663 HydrophobicContact CG1-CD2 3.76Å; V600-L663 HydrophobicContact CG1-CG 3.94Å; V600-L691 HydrophobicContact CG1-CD1 4.24Å |
| 601 | Q | 90.9 | Very high | 88.6 | Confident | 39 Ų | 39 | 13.3 Ų | 13.3 | 18% | 0.182 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56.4 | -46.3 | 177.3 | 168.9 | 65.9 | -35.2 | 0 | 0 | 111.7 | L597 E598 C599 I604 K605 L691 R694 | L597-Q601 VanDerWaalsContact O-CB 3.32Å; L597-Q601 WeakPolarHBondContact O-CB 3.43Å; L597-Q601 PolarHBondContact O-N 2.73Å; E598-Q601 WeakPolarHBondContact O-CB 3.16Å; E598-Q601 PolarHBondContact O-N 3.02Å; C599-Q601 VanDerWaalsContact C-N 3.34Å; C599-Q601 PolarHBondContact O-N 3Å; Q601-I604 PolarHBondContact O-N 3.4Å; Q601-K605 WeakPolarHBondContact O-CG 3.44Å; Q601-K605 PolarHBondContact O-N 3.38Å; Q601-L691 HydrophobicContact CB-CD1 4.44Å; Q601-L691 HydrophobicContact CB-CD2 4.32Å; Q601-R694 VanDerWaalsContact CD-NH1 3.34Å |
| 602 | V | 89.8 | Confident | 89 | Confident | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.7 | -40.2 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | F492 H493 E598 C599 V600 I604 K605 H606 | F492-V602 HydrophobicContact CB-CB 4.47Å; F492-V602 HydrophobicContact CB-CG1 3.64Å; H493-V602 HydrophobicContact CB-CG1 4.09Å; H493-V602 HydrophobicContact CB-CG2 4.21Å; E598-V602 VanDerWaalsContact O-CG2 3.31Å; E598-V602 WeakPolarHBondContact O-CG2 3.49Å; E598-V602 PolarHBondContact O-N 2.97Å; C599-V602 PolarHBondContact O-N 3Å; V600-V602 VanDerWaalsContact C-N 3.33Å; V600-V602 PolarHBondContact O-N 3.41Å; V602-I604 VanDerWaalsContact C-N 3.32Å; V602-I604 PolarHBondContact O-N 3.29Å; V602-K605 WeakPolarHBondContact O-CB 3.29Å; V602-K605 PolarHBondContact O-N 3.46Å; V602-H606 PolarHBondContact O-CD2 3.3Å; V602-H606 PolarHBondContact O-N 3.17Å |
| 603 | C | 92.1 | Very high | 89 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 174.5 | -66 | 0 | 0 | 0 | 0 | 112.4 | I576 C599 V600 H606 L607 L659 | I576-C603 HydrophobicContact CD1-CB 3.92Å; I576-C603 HydrophobicContact CG1-CB 4.46Å; C599-C603 PolarHBondContact O-N 3.04Å; C599-C603 PolarHBondContact O-SG 3.11Å; V600-C603 PolarHBondContact O-N 3.47Å; C603-H606 PolarHBondContact O-N 3.21Å; C603-L607 PolarHBondContact O-N 2.71Å; C603-L607 VanDerWaalsContact O-N 3.11Å; C603-L659 HydrophobicContact CB-CD1 4.24Å; C603-L659 HydrophobicContact CB-CD2 3.78Å |
| 604 | I | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 175.1 | -68.4 | 171.4 | 0 | 0 | 0 | 110.9 | V600 Q601 V602 H606 L607 E608 L659 L691 R694 L695 | V600-I604 HydrophobicContact CG1-CD1 3.96Å; V600-I604 WeakPolarHBondContact O-CG1 3.4Å; V600-I604 PolarHBondContact O-N 3.08Å; Q601-I604 PolarHBondContact O-N 3.4Å; V602-I604 VanDerWaalsContact C-N 3.32Å; V602-I604 PolarHBondContact O-N 3.29Å; I604-H606 VanDerWaalsContact C-N 3.33Å; I604-H606 PolarHBondContact O-N 2.82Å; I604-L607 WeakPolarHBondContact O-CB 3.42Å; I604-L607 PolarHBondContact O-N 3.46Å; I604-L607 VanDerWaalsContact O-N 3.13Å; I604-E608 HydrophobicContact CG2-CG 4.42Å; I604-E608 WeakPolarHBondContact O-CG 3.26Å; I604-E608 PolarHBondContact O-N 3.4Å; I604-L659 HydrophobicContact CG1-CD1 4.25Å; I604-L691 HydrophobicContact CD1-CB 4Å; I604-L691 HydrophobicContact CD1-CD2 4.17Å; I604-R694 HydrophobicContact CG2-CB 4.09Å; I604-L695 HydrophobicContact CD1-CB 4.2Å |
| 605 | K | 90 | Very high | 89.4 | Confident | 43 Ų | 43 | 20.9 Ų | 20.9 | 19% | 0.187 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.6 | -39.6 | 174.1 | -74.1 | 174.3 | 179 | 165.7 | 0 | 112.7 | Q601 V602 L607 E608 E609 | Q601-K605 WeakPolarHBondContact O-CG 3.44Å; Q601-K605 PolarHBondContact O-N 3.38Å; V602-K605 WeakPolarHBondContact O-CB 3.29Å; V602-K605 PolarHBondContact O-N 3.46Å; K605-L607 VanDerWaalsContact C-N 3.32Å; K605-L607 PolarHBondContact O-N 2.88Å; K605-E608 WeakPolarHBondContact O-CB 3.25Å; K605-E608 PolarHBondContact O-N 3.06Å; K605-E609 WeakPolarHBondContact O-CB 3.23Å; K605-E609 PolarHBondContact O-N 2.98Å |
| 606 | H | 89.6 | Confident | 88.7 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.023 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.7 | -35.9 | 174.1 | -77.1 | -67.7 | 0 | 0 | 0 | 112.6 | R400 F492 S495 L497 L500 V602 C603 I604 E609 A610 | R400-H606 PolarHBondContact NH1-CE1 3.45Å; R400-H606 PolarHBondContact NH2-CE1 3.21Å; F492-H606 PolarHBondContact O-CE1 2.67Å; F492-H606 PolarHBondContact O-NE2 3.47Å; S495-H606 PolarHBondContact O-CE1 2.94Å; S495-H606 VanDerWaalsContact O-CE1 3.27Å; L497-H606 HydrophobicContact CD1-CB 4.34Å; L500-H606 HydrophobicContact CD1-CB 4.4Å; V602-H606 PolarHBondContact O-CD2 3.3Å; V602-H606 PolarHBondContact O-N 3.17Å; C603-H606 PolarHBondContact O-N 3.21Å; I604-H606 VanDerWaalsContact C-N 3.33Å; I604-H606 PolarHBondContact O-N 2.82Å; H606-E609 IonicContact ND1-OE2 2.68Å; H606-A610 WeakPolarHBondContact O-CB 3.31Å; H606-A610 PolarHBondContact O-N 3.21Å |
| 607 | L | 91.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 171.6 | -70.7 | 170 | 0 | 0 | 0 | 111.1 | C603 I604 K605 A610 I611 I649 I655 R656 L659 L695 | C603-L607 PolarHBondContact O-N 2.71Å; C603-L607 VanDerWaalsContact O-N 3.11Å; I604-L607 WeakPolarHBondContact O-CB 3.42Å; I604-L607 PolarHBondContact O-N 3.46Å; I604-L607 VanDerWaalsContact O-N 3.13Å; K605-L607 VanDerWaalsContact C-N 3.32Å; K605-L607 PolarHBondContact O-N 2.88Å; L607-A610 PolarHBondContact O-N 3.26Å; L607-I611 WeakPolarHBondContact O-CD1 3.33Å; L607-I611 WeakPolarHBondContact O-CG1 3.37Å; L607-I611 PolarHBondContact O-N 3.33Å; L607-I649 HydrophobicContact CD2-CG2 3.41Å; L607-I649 VanDerWaalsContact CD2-CG2 3.41Å; L607-I655 HydrophobicContact CD1-CG2 4.26Å; L607-I655 HydrophobicContact CD2-CG2 4.19Å; L607-R656 HydrophobicContact CD1-CG 4.43Å; L607-L659 HydrophobicContact CD1-CD1 3.66Å; L607-L695 HydrophobicContact CD1-CD1 4.21Å |
| 608 | E | 91.9 | Very high | 85.4 | Confident | 58 Ų | 58 | 33.1 Ų | 33.1 | 27% | 0.271 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 176.6 | -69.1 | 167.4 | 169.1 | 0 | 0 | 111.4 | I604 K605 A610 I611 V612 R694 C698 | I604-E608 HydrophobicContact CG2-CG 4.42Å; I604-E608 WeakPolarHBondContact O-CG 3.26Å; I604-E608 PolarHBondContact O-N 3.4Å; K605-E608 WeakPolarHBondContact O-CB 3.25Å; K605-E608 PolarHBondContact O-N 3.06Å; E608-A610 PolarHBondContact O-N 3.46Å; E608-I611 PolarHBondContact O-N 2.89Å; E608-V612 WeakPolarHBondContact O-CG2 3.31Å; E608-V612 PolarHBondContact O-N 3.32Å; E608-R694 IonicContact OE1-CZ 3.9Å; E608-R694 VanDerWaalsContact OE1-CZ 3.3Å; E608-R694 IonicContact OE1-NE 3.19Å; E608-R694 PolarHBondContact OE1-NE 2.91Å; E608-R694 IonicContact OE1-NH2 3.76Å; E608-R694 PolarHBondContact OE1-NH2 3.04Å; E608-R694 IonicContact OE2-CZ 2.65Å; E608-R694 IonicContact OE2-NE 3.32Å; E608-R694 IonicContact OE2-NH2 2.77Å; E608-R694 PolarHBondContact OE2-NH2 3.22Å; E608-C698 WeakPolarHBondContact CG-SG 3.31Å |
| 609 | E | 87.7 | Confident | 83.5 | Confident | 55 Ų | 55 | 39 Ų | 39 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.9 | -48.5 | 174.9 | -175.1 | -178.3 | 169.3 | 0 | 0 | 111.1 | R400 K605 H606 I611 V612 L613 | R400-E609 IonicContact CZ-OE2 2.94Å; R400-E609 IonicContact NH1-OE1 2.8Å; R400-E609 PolarHBondContact NH1-OE1 2.77Å; R400-E609 IonicContact NH1-OE2 3.32Å; R400-E609 PolarHBondContact NH1-OE2 3.21Å; K605-E609 WeakPolarHBondContact O-CB 3.23Å; K605-E609 PolarHBondContact O-N 2.98Å; H606-E609 IonicContact ND1-OE2 2.68Å; E609-I611 VanDerWaalsContact C-N 3.34Å; E609-I611 PolarHBondContact O-N 3.08Å; E609-V612 PolarHBondContact O-N 3.42Å; E609-L613 HydrophobicContact CG-CD1 4.21Å; E609-L613 VanDerWaalsContact O-CG 3.3Å; E609-L613 WeakPolarHBondContact O-CG 3.48Å; E609-L613 PolarHBondContact O-N 3.32Å |
| 610 | A | 89.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L497 H606 L607 E608 L613 L614 A646 I649 I650 | L497-A610 HydrophobicContact CD1-CB 4.49Å; L497-A610 HydrophobicContact CD2-CB 3.97Å; H606-A610 WeakPolarHBondContact O-CB 3.31Å; H606-A610 PolarHBondContact O-N 3.21Å; L607-A610 PolarHBondContact O-N 3.26Å; E608-A610 PolarHBondContact O-N 3.46Å; A610-L613 PolarHBondContact O-N 3.41Å; A610-L614 PolarHBondContact O-N 2.75Å; A610-L614 VanDerWaalsContact O-N 3.15Å; A610-A646 HydrophobicContact CB-CB 3.88Å; A610-I649 HydrophobicContact CB-CG2 4.35Å; A610-I650 HydrophobicContact CB-CD1 4.34Å; A610-I650 HydrophobicContact CB-CG1 4.28Å |
| 611 | I | 90.7 | Very high | 79.3 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 178.2 | -71.2 | 161.6 | 0 | 0 | 0 | 110.7 | L607 E608 E609 L613 L614 K615 I650 C698 D701 L705 | L607-I611 WeakPolarHBondContact O-CD1 3.33Å; L607-I611 WeakPolarHBondContact O-CG1 3.37Å; L607-I611 PolarHBondContact O-N 3.33Å; E608-I611 PolarHBondContact O-N 2.89Å; E609-I611 VanDerWaalsContact C-N 3.34Å; E609-I611 PolarHBondContact O-N 3.08Å; I611-L613 VanDerWaalsContact C-N 3.35Å; I611-L613 PolarHBondContact O-N 3.43Å; I611-L614 PolarHBondContact O-N 2.87Å; I611-K615 HydrophobicContact CG2-CD 4.09Å; I611-K615 HydrophobicContact CG2-CG 4.44Å; I611-K615 WeakPolarHBondContact O-CG 3.39Å; I611-K615 PolarHBondContact O-N 2.91Å; I611-I650 HydrophobicContact CG1-CD1 3.93Å; I611-I650 HydrophobicContact CG1-CG1 4.49Å; I611-C698 HydrophobicContact CD1-CB 3.81Å; I611-D701 HydrophobicContact CD1-CB 4.1Å; I611-D701 HydrophobicContact CG1-CB 4.47Å; I611-D701 HydrophobicContact CG2-CB 3.85Å; I611-L705 HydrophobicContact CB-CD1 4.26Å; I611-L705 HydrophobicContact CG1-CD1 4.25Å; I611-L705 HydrophobicContact CG2-CD1 3.95Å |
| 612 | V | 88.3 | Confident | 77.1 | Confident | 53 Ų | 53 | 49.1 Ų | 49.1 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62 | -43.8 | 179.2 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | E608 E609 L614 K615 | E608-V612 WeakPolarHBondContact O-CG2 3.31Å; E608-V612 PolarHBondContact O-N 3.32Å; E609-V612 PolarHBondContact O-N 3.42Å; V612-L614 VanDerWaalsContact C-N 3.32Å; V612-L614 PolarHBondContact O-N 3.5Å; V612-K615 PolarHBondContact O-N 2.93Å |
| 613 | L | 85.7 | Confident | 74.8 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -37 | 178.1 | -72.8 | 171.3 | 0 | 0 | 0 | 113 | L497 E609 A610 I611 T642 | L497-L613 HydrophobicContact CD2-CD1 3.87Å; E609-L613 HydrophobicContact CG-CD1 4.21Å; E609-L613 VanDerWaalsContact O-CG 3.3Å; E609-L613 WeakPolarHBondContact O-CG 3.48Å; E609-L613 PolarHBondContact O-N 3.32Å; A610-L613 PolarHBondContact O-N 3.41Å; I611-L613 VanDerWaalsContact C-N 3.35Å; I611-L613 PolarHBondContact O-N 3.43Å; L613-T642 HydrophobicContact CD1-CG2 4.1Å |
| 614 | L | 85.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -84.4 | -19.2 | 178.8 | -63.8 | -162.3 | 0 | 0 | 0 | 114.3 | A610 I611 V612 Q616 Y643 A646 K647 I650 L705 Y709 | A610-L614 PolarHBondContact O-N 2.75Å; A610-L614 VanDerWaalsContact O-N 3.15Å; I611-L614 PolarHBondContact O-N 2.87Å; V612-L614 VanDerWaalsContact C-N 3.32Å; V612-L614 PolarHBondContact O-N 3.5Å; L614-Q616 VanDerWaalsContact C-N 3.26Å; L614-Y643 HydrophobicContact CD2-CD2 3.52Å; L614-Y643 HydrophobicContact CD2-CE1 4.47Å; L614-Y643 HydrophobicContact CD2-CE2 3.15Å; L614-Y643 HydrophobicContact CD2-CG 4.29Å; L614-A646 HydrophobicContact CD2-CB 3.93Å; L614-A646 HydrophobicContact CG-CB 4.02Å; L614-K647 HydrophobicContact CD1-CG 3.9Å; L614-K647 HydrophobicContact CD2-CG 4.04Å; L614-I650 HydrophobicContact CD1-CD1 3.61Å; L614-I650 HydrophobicContact CG-CD1 4.13Å; L614-L705 HydrophobicContact CB-CD1 4.13Å; L614-L705 HydrophobicContact CB-CD2 4.08Å; L614-Y709 HydrophobicContact CB-CE2 4.21Å; L614-Y709 PolarHBondContact O-OH 3.3Å |
| 615 | K | 85.1 | Confident | 69.9 | Low | 111 Ų | 111 | 60 Ų | 60 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -74.9 | -16.8 | 175.6 | -80.5 | -177.3 | -179.8 | 176.4 | 0 | 113.2 | I611 V612 D701 L705 | I611-K615 HydrophobicContact CG2-CD 4.09Å; I611-K615 HydrophobicContact CG2-CG 4.44Å; I611-K615 WeakPolarHBondContact O-CG 3.39Å; I611-K615 PolarHBondContact O-N 2.91Å; V612-K615 PolarHBondContact O-N 2.93Å; K615-D701 VanDerWaalsContact NZ-CG 3.35Å; K615-D701 IonicContact NZ-OD1 2.64Å; K615-D701 IonicContact NZ-OD2 3.16Å; K615-D701 PolarHBondContact NZ-OD2 2.8Å; K615-L705 HydrophobicContact CG-CD1 4.33Å; K615-L705 HydrophobicContact CG-CD2 3.96Å; K615-L705 HydrophobicContact CG-CG 4.49Å |
| 616 | Q | 71.8 | Confident | 67.5 | Low | 57 Ų | 57 | 64.5 Ų | 64.5 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -69.1 | 132.7 | 176.4 | -68 | 175.5 | 1.2 | 0 | 0 | 110 | L614 | L614-Q616 VanDerWaalsContact C-N 3.26Š|
| 617 | E | 55.9 | Low | 65.2 | Low | 125 Ų | 125 | 69.6 Ų | 69.6 | 58% | 0.584 | 36% | 0.358 | S | S | * | . | trans | -64.1 | 141.1 | 177 | -78.9 | -170.1 | 162.5 | 0 | 0 | 110.8 | E619 Q620 | E617-E619 PolarHBondContact O-N 3.4Å; E617-E619 VanDerWaalsContact O-N 3.1Å; E617-Q620 PolarHBondContact O-N 3.46Å | ||
| 618 | P | 52.1 | Low | 62.9 | Low | 81 Ų | 81 | 74 Ų | 74 | 53% | 0.526 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.7 | -22 | 179.5 | 23.6 | -32.1 | 0 | 0 | 0 | 113.1 | Q621 V622 | P618-Q621 WeakPolarHBondContact O-CB 3.39Å; P618-Q621 PolarHBondContact O-N 3.45Å; P618-Q621 VanDerWaalsContact O-N 3.15Å; P618-V622 PolarHBondContact O-N 3.02Å |
| 619 | E | 47.7 | Very low | 60.4 | Low | 147 Ų | 147 | 79.2 Ų | 79.2 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -70 | -40.5 | 179.4 | -64.7 | -173.3 | 178.4 | 0 | 0 | 112.5 | E617 Q621 V622 D623 | E617-E619 PolarHBondContact O-N 3.4Å; E617-E619 VanDerWaalsContact O-N 3.1Å; E619-Q621 PolarHBondContact O-N 2.95Å; E619-Q621 VanDerWaalsContact O-N 3.1Å; E619-V622 PolarHBondContact O-N 3.48Å; E619-D623 PolarHBondContact O-N 3.2Å |
| 620 | Q | 50.4 | Low | 58.4 | Low | 123 Ų | 123 | 78.9 Ų | 78.9 | 58% | 0.575 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.9 | -18.9 | 171.7 | -72.5 | -176.1 | -7.6 | 0 | 0 | 112 | E617 T624 | E617-Q620 PolarHBondContact O-N 3.46Å; Q620-T624 PolarHBondContact O-N 3.35Å; Q620-T624 PolarHBondContact O-OG1 3.45Å |
| 621 | Q | 46.7 | Very low | 56.4 | Low | 49 Ų | 49 | 86.7 Ų | 86.7 | 23% | 0.229 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -80.9 | -36.9 | -179 | -145.1 | 163.8 | 9.8 | 0 | 0 | 112.7 | P618 E619 D623 T624 L625 | P618-Q621 WeakPolarHBondContact O-CB 3.39Å; P618-Q621 PolarHBondContact O-N 3.45Å; P618-Q621 VanDerWaalsContact O-N 3.15Å; E619-Q621 PolarHBondContact O-N 2.95Å; E619-Q621 VanDerWaalsContact O-N 3.1Å; Q621-D623 VanDerWaalsContact C-N 3.3Å; Q621-T624 WeakPolarHBondContact CA-OG1 3.42Å; Q621-T624 PolarHBondContact O-N 3.46Å; Q621-L625 VanDerWaalsContact O-CB 3.29Å; Q621-L625 WeakPolarHBondContact O-CB 3.49Å; Q621-L625 WeakPolarHBondContact O-CD1 3.3Å; Q621-L625 PolarHBondContact O-N 3.38Å |
| 622 | V | 43.5 | Very low | 54.8 | Low | 80 Ų | 80 | 90.8 Ų | 90.8 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 169.8 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | P618 E619 T624 L625 E626 | P618-V622 PolarHBondContact O-N 3.02Å; E619-V622 PolarHBondContact O-N 3.48Å; V622-T624 PolarHBondContact O-N 3.3Å; V622-L625 PolarHBondContact O-N 3.21Å; V622-E626 HydrophobicContact CG1-CG 4.3Å; V622-E626 WeakPolarHBondContact O-CB 3.46Å; V622-E626 WeakPolarHBondContact O-CG 3.09Å; V622-E626 PolarHBondContact O-N 2.97Å |
| 623 | D | 43.1 | Very low | 53.4 | Low | 100 Ų | 100 | 94.1 Ų | 94.1 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 173.5 | -79.8 | -12.3 | 0 | 0 | 0 | 111.4 | E619 Q621 L625 E626 T627 | E619-D623 PolarHBondContact O-N 3.2Å; Q621-D623 VanDerWaalsContact C-N 3.3Å; D623-L625 PolarHBondContact O-N 3.5Å; D623-E626 PolarHBondContact O-N 2.74Å; D623-T627 WeakPolarHBondContact O-CA 3.38Å; D623-T627 WeakPolarHBondContact O-CB 3.49Å; D623-T627 PolarHBondContact O-N 2.89Å; D623-T627 PolarHBondContact O-OG1 3.27Å |
| 624 | T | 44.1 | Very low | 52.5 | Low | 72 Ų | 72 | 95.2 Ų | 95.2 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 177.3 | 4.7 | 0 | 0 | 0 | 0 | 112.6 | Q620 Q621 V622 L628 | Q620-T624 PolarHBondContact O-N 3.35Å; Q620-T624 PolarHBondContact O-OG1 3.45Å; Q621-T624 WeakPolarHBondContact CA-OG1 3.42Å; Q621-T624 PolarHBondContact O-N 3.46Å; V622-T624 PolarHBondContact O-N 3.3Å; T624-L628 HydrophobicContact CG2-CD1 4.46Å; T624-L628 VanDerWaalsContact O-CB 3.23Å; T624-L628 WeakPolarHBondContact O-CB 3.49Å; T624-L628 WeakPolarHBondContact O-CD1 3.24Å; T624-L628 WeakPolarHBondContact O-CG 3.27Å; T624-L628 PolarHBondContact O-N 3.34Å |
| 625 | L | 37.9 | Very low | 51.7 | Low | 58 Ų | 58 | 97.2 Ų | 97.2 | 30% | 0.304 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 177 | -86.8 | 153.5 | 0 | 0 | 0 | 112.1 | Q621 V622 D623 K636 I639 | Q621-L625 VanDerWaalsContact O-CB 3.29Å; Q621-L625 WeakPolarHBondContact O-CB 3.49Å; Q621-L625 WeakPolarHBondContact O-CD1 3.3Å; Q621-L625 PolarHBondContact O-N 3.38Å; V622-L625 PolarHBondContact O-N 3.21Å; D623-L625 PolarHBondContact O-N 3.5Å; L625-K636 HydrophobicContact CD2-CD 4.4Å; L625-K636 HydrophobicContact CD2-CG 3.85Å; L625-I639 HydrophobicContact CD2-CD1 4.37Å |
| 626 | E | 38.4 | Very low | 51 | Low | 139 Ų | 139 | 96.7 Ų | 96.7 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -79.5 | -41.8 | 176.9 | -70.9 | -172.9 | 175.7 | 0 | 0 | 112.2 | V622 D623 L628 Q629 | V622-E626 HydrophobicContact CG1-CG 4.3Å; V622-E626 WeakPolarHBondContact O-CB 3.46Å; V622-E626 WeakPolarHBondContact O-CG 3.09Å; V622-E626 PolarHBondContact O-N 2.97Å; D623-E626 PolarHBondContact O-N 2.74Å; E626-L628 VanDerWaalsContact C-N 3.27Å; E626-L628 PolarHBondContact O-N 2.98Å; E626-Q629 PolarHBondContact O-N 2.93Å |
| 627 | T | 41.4 | Very low | 51.3 | Low | 111 Ų | 111 | 99.1 Ų | 99.1 | 68% | 0.681 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -30.2 | 179.3 | -46.9 | 0 | 0 | 0 | 0 | 111.5 | D623 Q629 | D623-T627 WeakPolarHBondContact O-CA 3.38Å; D623-T627 WeakPolarHBondContact O-CB 3.49Å; D623-T627 PolarHBondContact O-N 2.89Å; D623-T627 PolarHBondContact O-OG1 3.27Å; T627-Q629 PolarHBondContact O-N 3.3Å |
| 628 | L | 42.5 | Very low | 52.2 | Low | 94 Ų | 94 | 95.2 Ų | 95.2 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -5.8 | 179 | -73.3 | 169.5 | 0 | 0 | 0 | 114 | T624 E626 L630 | T624-L628 HydrophobicContact CG2-CD1 4.46Å; T624-L628 VanDerWaalsContact O-CB 3.23Å; T624-L628 WeakPolarHBondContact O-CB 3.49Å; T624-L628 WeakPolarHBondContact O-CD1 3.24Å; T624-L628 WeakPolarHBondContact O-CG 3.27Å; T624-L628 PolarHBondContact O-N 3.34Å; E626-L628 VanDerWaalsContact C-N 3.27Å; E626-L628 PolarHBondContact O-N 2.98Å; L628-L630 HydrophobicContact CB-CD1 3.65Å; L628-L630 HydrophobicContact CB-CG 3.74Å; L628-L630 HydrophobicContact CD1-CD1 3.93Å; L628-L630 HydrophobicContact CG-CD1 4.38Å; L628-L630 PolarHBondContact O-N 3.22Å |
| 629 | Q | 40.4 | Very low | 53.5 | Low | 166 Ų | 166 | 93.4 Ų | 93.4 | 78% | 0.776 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44 | 36.5 | 178.7 | -64.5 | -172.1 | -12.8 | 0 | 0 | 112.8 | E626 T627 N631 | E626-Q629 PolarHBondContact O-N 2.93Å; T627-Q629 PolarHBondContact O-N 3.3Å; Q629-N631 PolarHBondContact O-N 3.42Å |
| 630 | L | 45.7 | Very low | 55.1 | Low | 49 Ų | 49 | 91 Ų | 91 | 26% | 0.257 | 48% | 0.475 | S | S | . | . | trans | -79.9 | 95.3 | -175.2 | -71.2 | 164.6 | 0 | 0 | 0 | 108.4 | L628 D632 H635 I639 | L628-L630 HydrophobicContact CB-CD1 3.65Å; L628-L630 HydrophobicContact CB-CG 3.74Å; L628-L630 HydrophobicContact CD1-CD1 3.93Å; L628-L630 HydrophobicContact CG-CD1 4.38Å; L628-L630 PolarHBondContact O-N 3.22Å; L630-D632 PolarHBondContact O-N 3.42Å; L630-H635 HydrophobicContact CB-CB 4.49Å; L630-H635 HydrophobicContact CD1-CB 4.22Å; L630-H635 HydrophobicContact CD2-CB 4.47Å; L630-I639 HydrophobicContact CD1-CD1 4.37Å | ||
| 631 | N | 48.1 | Very low | 56.6 | Low | 164 Ų | 164 | 87.1 Ų | 87.1 | 88% | 0.877 | 46% | 0.463 | S | S | * | . | trans | -68.1 | -3.7 | 178.7 | -77.2 | -21.7 | 0 | 0 | 0 | 114.3 | Q629 | Q629-N631 PolarHBondContact O-N 3.42Š| ||
| 632 | D | 56.3 | Low | 58.4 | Low | 91 Ų | 91 | 85.9 Ų | 85.9 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | trans | -104.4 | 121.3 | -176.7 | -84.6 | -28.7 | 0 | 0 | 0 | 113.1 | L630 S634 H635 | L630-D632 PolarHBondContact O-N 3.42Å; D632-S634 PolarHBondContact O-N 3.11Å; D632-S634 VanDerWaalsContact O-N 3.12Å; D632-H635 PolarHBondContact O-N 3.16Å; D632-H635 VanDerWaalsContact O-N 3.16Å | ||
| 633 | D | 59.3 | Low | 60.4 | Low | 124 Ų | 124 | 83.3 Ų | 83.3 | 66% | 0.663 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -55.3 | -27.4 | 172.7 | -72.5 | -34.2 | 0 | 0 | 0 | 112.8 | H635 N637 | D633-H635 PolarHBondContact O-N 3.3Å; D633-N637 PolarHBondContact O-N 2.84Å; D633-N637 VanDerWaalsContact O-N 3.09Å; D633-N637 PolarHBondContact O-ND2 3.28Å; D633-N637 VanDerWaalsContact O-ND2 3.11Å |
| 634 | S | 66.8 | Low | 62.4 | Low | 59 Ų | 59 | 82 Ų | 82 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 177.7 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | D632 N637 I638 | D632-S634 PolarHBondContact O-N 3.11Å; D632-S634 VanDerWaalsContact O-N 3.12Å; S634-N637 PolarHBondContact O-N 3.33Å; S634-I638 VanDerWaalsContact O-CG1 3.31Å; S634-I638 WeakPolarHBondContact O-CG1 3.06Å; S634-I638 PolarHBondContact O-N 2.9Å; S634-I638 VanDerWaalsContact O-N 3.1Å |
| 635 | H | 67.7 | Low | 64.4 | Low | 42 Ų | 42 | 78.7 Ų | 78.7 | 19% | 0.194 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.7 | -41.8 | -178.3 | -72.5 | 79.1 | 0 | 0 | 0 | 111.3 | F302 L630 D632 D633 N637 I638 I639 | F302-H635 AromaticContact CD2-CD2 3.5Å; F302-H635 HydrophobicContact CE2-CB 4.38Å; F302-H635 AromaticContact CE2-CD2 3.8Å; L630-H635 HydrophobicContact CB-CB 4.49Å; L630-H635 HydrophobicContact CD1-CB 4.22Å; L630-H635 HydrophobicContact CD2-CB 4.47Å; D632-H635 PolarHBondContact O-N 3.16Å; D632-H635 VanDerWaalsContact O-N 3.16Å; D633-H635 PolarHBondContact O-N 3.3Å; H635-N637 VanDerWaalsContact C-N 3.31Å; H635-N637 PolarHBondContact O-N 3.47Å; H635-I638 PolarHBondContact O-N 3.29Å; H635-I639 WeakPolarHBondContact O-CG1 3.19Å; H635-I639 PolarHBondContact O-N 2.94Å |
| 636 | K | 71.9 | Confident | 66.8 | Low | 99 Ų | 99 | 76 Ų | 76 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 174.7 | -66.7 | -174.6 | 179.3 | 173.3 | 0 | 111.2 | L625 I638 I639 Q640 | L625-K636 HydrophobicContact CD2-CD 4.4Å; L625-K636 HydrophobicContact CD2-CG 3.85Å; K636-I638 VanDerWaalsContact C-N 3.32Å; K636-I638 PolarHBondContact O-N 3.03Å; K636-I639 PolarHBondContact O-N 3.23Å; K636-Q640 WeakPolarHBondContact O-CB 3.26Å; K636-Q640 PolarHBondContact O-N 3.37Å |
| 637 | N | 76.6 | Confident | 69.1 | Low | 109 Ų | 109 | 71.9 Ų | 71.9 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.2 | -38.9 | 176.4 | -71.7 | -26.6 | 0 | 0 | 0 | 112.4 | D633 S634 H635 A641 | D633-N637 PolarHBondContact O-N 2.84Å; D633-N637 VanDerWaalsContact O-N 3.09Å; D633-N637 PolarHBondContact O-ND2 3.28Å; D633-N637 VanDerWaalsContact O-ND2 3.11Å; S634-N637 PolarHBondContact O-N 3.33Å; H635-N637 VanDerWaalsContact C-N 3.31Å; H635-N637 PolarHBondContact O-N 3.47Å; N637-A641 VanDerWaalsContact O-CB 3.29Å; N637-A641 WeakPolarHBondContact O-CB 3.3Å; N637-A641 PolarHBondContact O-N 3.43Å |
| 638 | I | 76.4 | Confident | 71.2 | Confident | 43 Ų | 43 | 70.3 Ų | 70.3 | 22% | 0.221 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.8 | -42.4 | 179.4 | -66 | 166.4 | 0 | 0 | 0 | 111.9 | F302 S634 H635 K636 Q640 A641 T642 | F302-I638 HydrophobicContact CB-CD1 3.57Å; F302-I638 HydrophobicContact CB-CG2 4.44Å; F302-I638 HydrophobicContact CD1-CB 4.35Å; F302-I638 HydrophobicContact CD1-CD1 4.46Å; F302-I638 HydrophobicContact CD1-CG2 3.34Å; F302-I638 HydrophobicContact CD2-CB 4.06Å; F302-I638 HydrophobicContact CD2-CD1 3.78Å; F302-I638 HydrophobicContact CD2-CG2 3.92Å; F302-I638 HydrophobicContact CE1-CB 4.36Å; F302-I638 HydrophobicContact CE1-CG2 3.35Å; F302-I638 HydrophobicContact CE2-CB 4.07Å; F302-I638 HydrophobicContact CE2-CG2 3.93Å; F302-I638 HydrophobicContact CG-CB 4.2Å; F302-I638 HydrophobicContact CG-CD1 3.69Å; F302-I638 HydrophobicContact CG-CG2 3.64Å; F302-I638 HydrophobicContact CZ-CB 4.22Å; F302-I638 HydrophobicContact CZ-CG2 3.65Å; S634-I638 VanDerWaalsContact O-CG1 3.31Å; S634-I638 WeakPolarHBondContact O-CG1 3.06Å; S634-I638 PolarHBondContact O-N 2.9Å; S634-I638 VanDerWaalsContact O-N 3.1Å; H635-I638 PolarHBondContact O-N 3.29Å; K636-I638 VanDerWaalsContact C-N 3.32Å; K636-I638 PolarHBondContact O-N 3.03Å; I638-Q640 VanDerWaalsContact C-N 3.31Å; I638-Q640 PolarHBondContact O-N 3.32Å; I638-A641 PolarHBondContact O-N 2.95Å; I638-T642 WeakPolarHBondContact O-CB 3.2Å; I638-T642 PolarHBondContact O-N 3.49Å; I638-T642 PolarHBondContact O-OG1 2.86Å |
| 639 | I | 78.6 | Confident | 73.3 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 174.3 | -67.4 | 163 | 0 | 0 | 0 | 109.7 | F302 L625 L630 H635 K636 A641 T642 Y643 | F302-I639 HydrophobicContact CE2-CG1 4.3Å; F302-I639 HydrophobicContact CZ-CG1 4Å; L625-I639 HydrophobicContact CD2-CD1 4.37Å; L630-I639 HydrophobicContact CD1-CD1 4.37Å; H635-I639 WeakPolarHBondContact O-CG1 3.19Å; H635-I639 PolarHBondContact O-N 2.94Å; K636-I639 PolarHBondContact O-N 3.23Å; I639-A641 PolarHBondContact O-N 2.88Å; I639-T642 WeakPolarHBondContact O-CB 3.48Å; I639-T642 PolarHBondContact O-N 2.91Å; I639-Y643 PolarHBondContact O-N 3.37Å |
| 640 | Q | 81.5 | Confident | 75.6 | Confident | 98 Ų | 98 | 57.9 Ų | 57.9 | 46% | 0.458 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.7 | -173.2 | 60.9 | 53.4 | 0 | 0 | 112.1 | K636 I638 T642 Y643 N644 | K636-Q640 WeakPolarHBondContact O-CB 3.26Å; K636-Q640 PolarHBondContact O-N 3.37Å; I638-Q640 VanDerWaalsContact C-N 3.31Å; I638-Q640 PolarHBondContact O-N 3.32Å; Q640-T642 VanDerWaalsContact C-N 3.3Å; Q640-T642 PolarHBondContact O-N 3.27Å; Q640-Y643 PolarHBondContact O-N 2.78Å; Q640-N644 PolarHBondContact NE2-OD1 3.34Å; Q640-N644 WeakPolarHBondContact O-CB 3.48Å; Q640-N644 PolarHBondContact O-N 2.95Å; Q640-N644 PolarHBondContact O-ND2 3.45Å |
| 641 | A | 82.2 | Confident | 77.4 | Confident | 41 Ų | 41 | 59.5 Ų | 59.5 | 34% | 0.339 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N498 N637 I638 I639 A645 | N498-A641 HydrophobicContact CB-CB 4.34Å; N637-A641 VanDerWaalsContact O-CB 3.29Å; N637-A641 WeakPolarHBondContact O-CB 3.3Å; N637-A641 PolarHBondContact O-N 3.43Å; I638-A641 PolarHBondContact O-N 2.95Å; I639-A641 PolarHBondContact O-N 2.88Å; A641-A645 WeakPolarHBondContact O-CB 3.38Å; A641-A645 PolarHBondContact O-N 3.07Å |
| 642 | T | 84.6 | Confident | 79.2 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 14% | 0.135 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.4 | -42 | 176.4 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | L497 L613 I638 I639 Q640 A645 A646 | L497-T642 HydrophobicContact CB-CG2 4.28Å; L497-T642 HydrophobicContact CD2-CG2 4.43Å; L613-T642 HydrophobicContact CD1-CG2 4.1Å; I638-T642 WeakPolarHBondContact O-CB 3.2Å; I638-T642 PolarHBondContact O-N 3.49Å; I638-T642 PolarHBondContact O-OG1 2.86Å; I639-T642 WeakPolarHBondContact O-CB 3.48Å; I639-T642 PolarHBondContact O-N 2.91Å; Q640-T642 VanDerWaalsContact C-N 3.3Å; Q640-T642 PolarHBondContact O-N 3.27Å; T642-A645 WeakPolarHBondContact O-CB 3.3Å; T642-A645 PolarHBondContact O-N 2.71Å; T642-A646 PolarHBondContact O-N 3.22Å |
| 643 | Y | 85.1 | Confident | 80.6 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 11% | 0.106 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 176.6 | -173.9 | -103.7 | 0 | 0 | 0 | 112.6 | L614 I639 Q640 A645 A646 K647 Y709 | L614-Y643 HydrophobicContact CD2-CD2 3.52Å; L614-Y643 HydrophobicContact CD2-CE1 4.47Å; L614-Y643 HydrophobicContact CD2-CE2 3.15Å; L614-Y643 HydrophobicContact CD2-CG 4.29Å; I639-Y643 PolarHBondContact O-N 3.37Å; Q640-Y643 PolarHBondContact O-N 2.78Å; Y643-A645 PolarHBondContact O-N 3.49Å; Y643-A646 PolarHBondContact O-N 3.06Å; Y643-K647 HydrophobicContact CD1-CD 4.39Å; Y643-K647 HydrophobicContact CE1-CD 4.11Å; Y643-K647 VanDerWaalsContact CE1-NZ 3.25Å; Y643-K647 PolarHBondContact O-N 3.45Å; Y643-K647 VanDerWaalsContact O-N 3.1Å; Y643-Y709 WeakPolarHBondContact OH-CE1 3.26Å; Y643-Y709 PolarHBondContact OH-OH 3.2Å |
| 644 | N | 84.8 | Confident | 82.1 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.7 | -36.9 | 172 | -70.3 | -13.9 | 0 | 0 | 0 | 111 | Q640 K647 L648 | Q640-N644 PolarHBondContact NE2-OD1 3.34Å; Q640-N644 WeakPolarHBondContact O-CB 3.48Å; Q640-N644 PolarHBondContact O-N 2.95Å; Q640-N644 PolarHBondContact O-ND2 3.45Å; N644-K647 PolarHBondContact O-N 3.04Å; N644-L648 WeakPolarHBondContact O-CG 3.46Å; N644-L648 PolarHBondContact O-N 2.97Å; N644-L648 VanDerWaalsContact O-N 3.11Å |
| 645 | A | 86.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -47.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I501 A641 T642 Y643 K647 L648 I649 | I501-A645 HydrophobicContact CB-CB 4.27Å; I501-A645 HydrophobicContact CD1-CB 3.4Å; I501-A645 VanDerWaalsContact CD1-CB 3.4Å; I501-A645 WeakPolarHBondContact CD1-O 3.35Å; I501-A645 HydrophobicContact CG1-CB 4.03Å; A641-A645 WeakPolarHBondContact O-CB 3.38Å; A641-A645 PolarHBondContact O-N 3.07Å; T642-A645 WeakPolarHBondContact O-CB 3.3Å; T642-A645 PolarHBondContact O-N 2.71Å; Y643-A645 PolarHBondContact O-N 3.49Å; A645-K647 PolarHBondContact O-N 3.03Å; A645-L648 PolarHBondContact O-N 3.27Å; A645-I649 PolarHBondContact O-N 3.38Å |
| 646 | A | 88.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.4 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L497 A610 L614 T642 Y643 I650 | L497-A646 HydrophobicContact CD2-CB 3.86Å; A610-A646 HydrophobicContact CB-CB 3.88Å; L614-A646 HydrophobicContact CD2-CB 3.93Å; L614-A646 HydrophobicContact CG-CB 4.02Å; T642-A646 PolarHBondContact O-N 3.22Å; Y643-A646 PolarHBondContact O-N 3.06Å; A646-I650 WeakPolarHBondContact O-CB 3.5Å; A646-I650 WeakPolarHBondContact O-CG1 3.31Å; A646-I650 PolarHBondContact O-N 3.36Å; A646-I650 VanDerWaalsContact O-N 3.11Å |
| 647 | K | 86.6 | Confident | 85.4 | Confident | 53 Ų | 53 | 38 Ų | 38 | 23% | 0.23 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 174.7 | -73.8 | 178.5 | 171.5 | 176.8 | 0 | 112.9 | L614 Y643 N644 A645 I650 Q651 | L614-K647 HydrophobicContact CD1-CG 3.9Å; L614-K647 HydrophobicContact CD2-CG 4.04Å; Y643-K647 HydrophobicContact CD1-CD 4.39Å; Y643-K647 HydrophobicContact CE1-CD 4.11Å; Y643-K647 VanDerWaalsContact CE1-NZ 3.25Å; Y643-K647 PolarHBondContact O-N 3.45Å; Y643-K647 VanDerWaalsContact O-N 3.1Å; N644-K647 PolarHBondContact O-N 3.04Å; A645-K647 PolarHBondContact O-N 3.03Å; K647-I650 PolarHBondContact O-N 3.28Å; K647-Q651 WeakPolarHBondContact O-CB 3.44Å; K647-Q651 VanDerWaalsContact O-CG 3.31Å; K647-Q651 WeakPolarHBondContact O-CG 3.36Å; K647-Q651 PolarHBondContact O-N 2.89Å |
| 648 | L | 85.6 | Confident | 86.3 | Confident | 78 Ų | 78 | 33.6 Ų | 33.6 | 41% | 0.408 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.6 | -43.7 | -178.4 | -72.9 | 169.2 | 0 | 0 | 0 | 112.1 | I501 N644 A645 I650 Q651 D652 | I501-L648 HydrophobicContact CD1-CB 3.94Å; I501-L648 HydrophobicContact CG2-CB 4Å; I501-L648 HydrophobicContact CG2-CD1 3.46Å; I501-L648 VanDerWaalsContact CG2-CD1 3.46Å; I501-L648 HydrophobicContact CG2-CG 4.37Å; N644-L648 WeakPolarHBondContact O-CG 3.46Å; N644-L648 PolarHBondContact O-N 2.97Å; N644-L648 VanDerWaalsContact O-N 3.11Å; A645-L648 PolarHBondContact O-N 3.27Å; L648-I650 VanDerWaalsContact C-N 3.34Å; L648-I650 PolarHBondContact O-N 3.3Å; L648-Q651 PolarHBondContact O-N 3.08Å; L648-D652 PolarHBondContact O-N 3.04Å; L648-D652 VanDerWaalsContact O-N 3.08Å |
| 649 | I | 87.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 176.3 | -85.1 | 162.6 | 0 | 0 | 0 | 111.7 | L497 I501 L572 L607 A610 A645 Q651 D652 I655 | L497-I649 HydrophobicContact CD1-CD1 3.37Å; L497-I649 HydrophobicContact CG-CD1 4.25Å; I501-I649 HydrophobicContact CD1-CB 4.23Å; I501-I649 HydrophobicContact CD1-CD1 3.45Å; I501-I649 VanDerWaalsContact CD1-CD1 3.45Å; I501-I649 HydrophobicContact CD1-CG1 3.4Å; I501-I649 VanDerWaalsContact CD1-CG1 3.4Å; I501-I649 HydrophobicContact CG1-CD1 3.87Å; I501-I649 HydrophobicContact CG1-CG1 4.03Å; L572-I649 HydrophobicContact CD2-CD1 3.72Å; L572-I649 HydrophobicContact CD2-CG1 3.97Å; L607-I649 HydrophobicContact CD2-CG2 3.41Å; L607-I649 VanDerWaalsContact CD2-CG2 3.41Å; A610-I649 HydrophobicContact CB-CG2 4.35Å; A645-I649 PolarHBondContact O-N 3.38Å; I649-Q651 VanDerWaalsContact C-N 3.35Å; I649-D652 PolarHBondContact O-N 3.05Å; I649-I655 HydrophobicContact CG1-CD1 4.24Å; I649-I655 HydrophobicContact CG2-CD1 4.49Å |
| 650 | I | 86.8 | Confident | 88 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69 | -35.7 | -178.9 | -72 | -175.6 | 0 | 0 | 0 | 111.9 | A610 I611 L614 A646 K647 L648 D652 R656 C702 L705 | A610-I650 HydrophobicContact CB-CD1 4.34Å; A610-I650 HydrophobicContact CB-CG1 4.28Å; I611-I650 HydrophobicContact CG1-CD1 3.93Å; I611-I650 HydrophobicContact CG1-CG1 4.49Å; L614-I650 HydrophobicContact CD1-CD1 3.61Å; L614-I650 HydrophobicContact CG-CD1 4.13Å; A646-I650 WeakPolarHBondContact O-CB 3.5Å; A646-I650 WeakPolarHBondContact O-CG1 3.31Å; A646-I650 PolarHBondContact O-N 3.36Å; A646-I650 VanDerWaalsContact O-N 3.11Å; K647-I650 PolarHBondContact O-N 3.28Å; L648-I650 VanDerWaalsContact C-N 3.34Å; L648-I650 PolarHBondContact O-N 3.3Å; I650-D652 VanDerWaalsContact C-N 3.3Å; I650-R656 PolarHBondContact O-NH1 3.02Å; I650-C702 HydrophobicContact CG2-CB 3.89Å; I650-L705 HydrophobicContact CD1-CD1 3.75Å; I650-L705 HydrophobicContact CG2-CB 4.47Å |
| 651 | Q | 84.2 | Confident | 88.6 | Confident | 82 Ų | 82 | 25.7 Ų | 25.7 | 38% | 0.383 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -67.8 | -29.2 | 174.2 | -77.2 | 176.9 | -33.7 | 0 | 0 | 113 | K647 L648 I649 D653 L711 | K647-Q651 WeakPolarHBondContact O-CB 3.44Å; K647-Q651 VanDerWaalsContact O-CG 3.31Å; K647-Q651 WeakPolarHBondContact O-CG 3.36Å; K647-Q651 PolarHBondContact O-N 2.89Å; L648-Q651 PolarHBondContact O-N 3.08Å; I649-Q651 VanDerWaalsContact C-N 3.35Å; Q651-D653 PolarHBondContact O-N 2.92Å; Q651-L711 HydrophobicContact CG-CB 3.84Å; Q651-L711 HydrophobicContact CG-CD1 4.35Å; Q651-L711 HydrophobicContact CG-CG 4.45Å; Q651-L711 VanDerWaalsContact NE2-CD2 3.27Å; Q651-L711 PolarHBondContact NE2-O 3.34Å |
| 652 | D | 86.3 | Confident | 89.1 | Confident | 17 Ų | 17 | 23.8 Ų | 23.8 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | trans | -77.5 | 91.3 | -177.8 | -165.2 | -22 | 0 | 0 | 0 | 111.8 | H573 L648 I649 I650 Q654 I655 | H573-D652 IonicContact CE1-OD1 3.83Å; H573-D652 IonicContact CE1-OD2 2.91Å; H573-D652 IonicContact CG-OD2 3.05Å; H573-D652 IonicContact ND1-OD1 2.88Å; H573-D652 PolarHBondContact ND1-OD1 3.37Å; H573-D652 IonicContact ND1-OD2 3.96Å; H573-D652 PolarHBondContact ND1-OD2 3.4Å; L648-D652 PolarHBondContact O-N 3.04Å; L648-D652 VanDerWaalsContact O-N 3.08Å; I649-D652 PolarHBondContact O-N 3.05Å; I650-D652 VanDerWaalsContact C-N 3.3Å; D652-Q654 PolarHBondContact O-N 3.11Å; D652-Q654 WeakPolarHBondContact OD1-CB 3.46Å; D652-Q654 PolarHBondContact OD1-N 2.84Å; D652-I655 HydrophobicContact CB-CD1 3.85Å; D652-I655 HydrophobicContact CB-CG1 4.11Å; D652-I655 PolarHBondContact O-N 3.49Å; D652-I655 PolarHBondContact OD1-N 3.25Å | ||
| 653 | D | 85.9 | Confident | 89.5 | Confident | 21 Ų | 21 | 22.8 Ų | 22.8 | 11% | 0.112 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.6 | -16.4 | 177.7 | -170.4 | 55.8 | 0 | 0 | 0 | 114 | Q651 R656 S657 N733 K737 | Q651-D653 PolarHBondContact O-N 2.92Å; D653-R656 IonicContact OD1-CZ 2.77Å; D653-R656 IonicContact OD1-NE 3.79Å; D653-R656 PolarHBondContact OD1-NE 3.46Å; D653-R656 IonicContact OD1-NH2 2.7Å; D653-R656 PolarHBondContact OD1-NH2 2.8Å; D653-S657 PolarHBondContact O-N 2.94Å; D653-S657 PolarHBondContact O-OG 3.48Å; D653-N733 PolarHBondContact OD1-ND2 3Å; D653-N733 PolarHBondContact OD2-ND2 3.49Å; D653-N733 PolarHBondContact OD2-OD1 3.32Å; D653-K737 PolarHBondContact O-NZ 3.3Å; D653-K737 IonicContact OD2-NZ 2.69Å; D653-K737 PolarHBondContact OD2-NZ 2.86Å |
| 654 | Q | 89.7 | Confident | 89.9 | Confident | 75 Ų | 75 | 21.5 Ų | 21.5 | 35% | 0.35 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -73.3 | -32 | 178.1 | -60.3 | -164 | 9 | 0 | 0 | 111.7 | Y569 H573 D652 R656 S657 C658 | Y569-Q654 PolarHBondContact OH-NE2 3.34Å; H573-Q654 WeakPolarHBondContact CE1-CB 3.4Å; H573-Q654 PolarHBondContact CE1-OE1 2.73Å; H573-Q654 PolarHBondContact NE2-OE1 3.02Å; D652-Q654 PolarHBondContact O-N 3.11Å; D652-Q654 WeakPolarHBondContact OD1-CB 3.46Å; D652-Q654 PolarHBondContact OD1-N 2.84Å; Q654-R656 PolarHBondContact O-N 3.2Å; Q654-S657 PolarHBondContact O-N 3.45Å; Q654-S657 VanDerWaalsContact O-N 3.16Å; Q654-C658 PolarHBondContact O-N 3.14Å; Q654-C658 PolarHBondContact O-SG 2.72Å |
| 655 | I | 91.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.1 | -53.7 | 174.1 | -69.9 | 176 | 0 | 0 | 0 | 110.7 | L572 H573 I576 L607 I649 D652 S657 C658 L659 | L572-I655 HydrophobicContact CD2-CD1 4.19Å; L572-I655 HydrophobicContact CG-CD1 4.43Å; H573-I655 HydrophobicContact CB-CD1 4.44Å; H573-I655 HydrophobicContact CB-CG1 4.1Å; I576-I655 HydrophobicContact CD1-CG2 3.66Å; L607-I655 HydrophobicContact CD1-CG2 4.26Å; L607-I655 HydrophobicContact CD2-CG2 4.19Å; I649-I655 HydrophobicContact CG1-CD1 4.24Å; I649-I655 HydrophobicContact CG2-CD1 4.49Å; D652-I655 HydrophobicContact CB-CD1 3.85Å; D652-I655 HydrophobicContact CB-CG1 4.11Å; D652-I655 PolarHBondContact O-N 3.49Å; D652-I655 PolarHBondContact OD1-N 3.25Å; I655-S657 VanDerWaalsContact C-N 3.27Å; I655-S657 PolarHBondContact O-N 2.76Å; I655-C658 PolarHBondContact O-N 3.32Å; I655-L659 HydrophobicContact CG2-CD1 4.03Å; I655-L659 WeakPolarHBondContact O-CG 3.2Å; I655-L659 PolarHBondContact O-N 3.43Å |
| 656 | R | 93.1 | Very high | 90 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.3 | -35.7 | 180 | -64.4 | -178.4 | -66.4 | -103.8 | 2.1 | 112.2 | L607 I650 D653 Q654 F660 L695 H699 C702 | L607-R656 HydrophobicContact CD1-CG 4.43Å; I650-R656 PolarHBondContact O-NH1 3.02Å; D653-R656 IonicContact OD1-CZ 2.77Å; D653-R656 IonicContact OD1-NE 3.79Å; D653-R656 PolarHBondContact OD1-NE 3.46Å; D653-R656 IonicContact OD1-NH2 2.7Å; D653-R656 PolarHBondContact OD1-NH2 2.8Å; Q654-R656 PolarHBondContact O-N 3.2Å; R656-F660 WeakPolarHBondContact O-CB 3.33Å; R656-F660 PolarHBondContact O-N 3Å; R656-L695 HydrophobicContact CB-CD1 4.31Å; R656-L695 HydrophobicContact CG-CD1 4.26Å; R656-H699 PolarHBondContact NE-ND1 3.27Å; R656-H699 VanDerWaalsContact NE-ND1 3.17Å; R656-C702 PolarHBondContact NH1-SG 3.28Å |
| 657 | S | 92.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 18.3 Ų | 18.3 | 3% | 0.028 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.5 | -44 | 179.4 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | D653 Q654 I655 F660 E661 K737 | D653-S657 PolarHBondContact O-N 2.94Å; D653-S657 PolarHBondContact O-OG 3.48Å; Q654-S657 PolarHBondContact O-N 3.45Å; Q654-S657 VanDerWaalsContact O-N 3.16Å; I655-S657 VanDerWaalsContact C-N 3.27Å; I655-S657 PolarHBondContact O-N 2.76Å; S657-F660 WeakPolarHBondContact O-CB 3.25Å; S657-F660 PolarHBondContact O-N 3.5Å; S657-E661 WeakPolarHBondContact O-CG 3.41Å; S657-E661 PolarHBondContact O-N 3.39Å; S657-K737 WeakPolarHBondContact OG-CD 3.37Å; S657-K737 PolarHBondContact OG-NZ 2.9Å |
| 658 | C | 94.2 | Very high | 89.3 | Confident | 16 Ų | 16 | 17 Ų | 17 | 11% | 0.108 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 176.7 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | I576 Q654 I655 F660 E661 I662 | I576-C658 HydrophobicContact CG2-CB 3.49Å; I576-C658 VanDerWaalsContact CG2-CB 3.49Å; Q654-C658 PolarHBondContact O-N 3.14Å; Q654-C658 PolarHBondContact O-SG 2.72Å; I655-C658 PolarHBondContact O-N 3.32Å; C658-F660 VanDerWaalsContact C-N 3.33Å; C658-F660 PolarHBondContact O-N 3.33Å; C658-E661 PolarHBondContact O-N 2.92Å; C658-I662 VanDerWaalsContact O-CG1 3.24Å; C658-I662 WeakPolarHBondContact O-CG1 3.33Å; C658-I662 PolarHBondContact O-N 3.34Å |
| 659 | L | 96 | Very high | 88.1 | Confident | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62 | -40.6 | 174.3 | -68.3 | 172.5 | 0 | 0 | 0 | 111.9 | I576 V600 C603 I604 L607 I655 E661 I662 L663 L695 | I576-L659 HydrophobicContact CD1-CD1 4.46Å; I576-L659 HydrophobicContact CD1-CD2 4.2Å; I576-L659 HydrophobicContact CD1-CG 4.33Å; I576-L659 HydrophobicContact CG1-CD2 4.45Å; I576-L659 HydrophobicContact CG2-CD2 3.91Å; I576-L659 HydrophobicContact CG2-CG 3.99Å; V600-L659 HydrophobicContact CB-CD2 4.45Å; V600-L659 HydrophobicContact CG1-CD2 4.12Å; V600-L659 HydrophobicContact CG2-CD2 4.28Å; C603-L659 HydrophobicContact CB-CD1 4.24Å; C603-L659 HydrophobicContact CB-CD2 3.78Å; I604-L659 HydrophobicContact CG1-CD1 4.25Å; L607-L659 HydrophobicContact CD1-CD1 3.66Å; I655-L659 HydrophobicContact CG2-CD1 4.03Å; I655-L659 WeakPolarHBondContact O-CG 3.2Å; I655-L659 PolarHBondContact O-N 3.43Å; L659-E661 VanDerWaalsContact C-N 3.35Å; L659-I662 PolarHBondContact O-N 2.89Å; L659-L663 WeakPolarHBondContact O-CB 3.48Å; L659-L663 VanDerWaalsContact O-CG 3.31Å; L659-L663 WeakPolarHBondContact O-CG 3.38Å; L659-L663 PolarHBondContact O-N 3.25Å; L659-L695 HydrophobicContact CB-CD1 4.22Å; L659-L695 HydrophobicContact CB-CD2 3.88Å; L659-L695 HydrophobicContact CD1-CD1 4.06Å |
| 660 | F | 95.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.4 | -46.4 | 173.8 | 173.4 | -101.3 | 0 | 0 | 0 | 111.4 | R656 S657 C658 L663 L664 M692 L695 L730 F731 C734 L738 | R656-F660 WeakPolarHBondContact O-CB 3.33Å; R656-F660 PolarHBondContact O-N 3Å; S657-F660 WeakPolarHBondContact O-CB 3.25Å; S657-F660 PolarHBondContact O-N 3.5Å; C658-F660 VanDerWaalsContact C-N 3.33Å; C658-F660 PolarHBondContact O-N 3.33Å; F660-L663 PolarHBondContact O-N 3.06Å; F660-L664 HydrophobicContact CD1-CD1 3.93Å; F660-L664 HydrophobicContact CE1-CD1 3.43Å; F660-L664 VanDerWaalsContact CE1-CD1 3.43Å; F660-L664 HydrophobicContact CE1-CG 4.42Å; F660-L664 HydrophobicContact CE2-CD1 4.2Å; F660-L664 HydrophobicContact CE2-CG 4.49Å; F660-L664 HydrophobicContact CZ-CD1 3.58Å; F660-L664 HydrophobicContact CZ-CG 4.33Å; F660-L664 WeakPolarHBondContact O-CG 3.32Å; F660-L664 PolarHBondContact O-N 2.74Å; F660-M692 HydrophobicContact CD2-CE 4.11Å; F660-M692 HydrophobicContact CD2-SD 3.54Å; F660-M692 VanDerWaalsContact CD2-SD 3.54Å; F660-M692 HydrophobicContact CE2-CE 4.35Å; F660-M692 HydrophobicContact CE2-SD 3.99Å; F660-L695 HydrophobicContact CB-CD2 4.07Å; F660-L730 HydrophobicContact CD2-CD2 3.95Å; F660-L730 HydrophobicContact CD2-CG 4.2Å; F660-L730 HydrophobicContact CE2-CD2 4.49Å; F660-F731 HydrophobicContact CE2-CD1 4.46Å; F660-F731 AromaticContact CE2-CD2 3.99Å; F660-F731 HydrophobicContact CE2-CD2 3.99Å; F660-F731 HydrophobicContact CE2-CE1 4.23Å; F660-F731 AromaticContact CE2-CE2 3.72Å; F660-F731 HydrophobicContact CE2-CE2 3.72Å; F660-F731 HydrophobicContact CE2-CG 4.37Å; F660-F731 AromaticContact CE2-CZ 3.86Å; F660-F731 HydrophobicContact CE2-CZ 3.86Å; F660-F731 HydrophobicContact CZ-CD1 4.1Å; F660-F731 HydrophobicContact CZ-CD2 4.4Å; F660-F731 AromaticContact CZ-CE1 3.94Å; F660-F731 HydrophobicContact CZ-CE1 3.94Å; F660-F731 HydrophobicContact CZ-CE2 4.26Å; F660-F731 HydrophobicContact CZ-CG 4.34Å; F660-F731 HydrophobicContact CZ-CZ 4.04Å; F660-C734 HydrophobicContact CB-CB 4.36Å; F660-C734 HydrophobicContact CD1-CB 3.51Å; F660-C734 HydrophobicContact CD2-CB 4.46Å; F660-C734 HydrophobicContact CE1-CB 3.78Å; F660-C734 HydrophobicContact CG-CB 3.88Å; F660-C734 HydrophobicContact CZ-CB 4.38Å; F660-L738 HydrophobicContact CE1-CD2 3.98Å |
| 661 | E | 93 | Very high | 85.1 | Confident | 16 Ų | 16 | 19 Ų | 19 | 8% | 0.075 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 177.7 | -70.5 | 171.9 | -176.6 | 0 | 0 | 112.9 | S657 C658 L659 L663 L664 G665 L738 R741 | S657-E661 WeakPolarHBondContact O-CG 3.41Å; S657-E661 PolarHBondContact O-N 3.39Å; C658-E661 PolarHBondContact O-N 2.92Å; L659-E661 VanDerWaalsContact C-N 3.35Å; E661-L663 PolarHBondContact O-N 3.39Å; E661-L664 PolarHBondContact O-N 3.02Å; E661-G665 PolarHBondContact O-N 3.33Å; E661-L738 HydrophobicContact CG-CD1 4.24Å; E661-R741 WeakPolarHBondContact OE2-CD 3.49Å; E661-R741 IonicContact OE2-CZ 2.63Å; E661-R741 IonicContact OE2-NE 2.99Å; E661-R741 IonicContact OE2-NH1 3.19Å; E661-R741 PolarHBondContact OE2-NH1 2.85Å |
| 662 | I | 93 | Very high | 83.4 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.4 | -44 | 176.4 | -63.7 | 161.1 | 0 | 0 | 0 | 110.4 | I576 L579 I585 L596 V600 C658 L659 G665 T666 | I576-I662 HydrophobicContact CG2-CD1 4.17Å; L579-I662 HydrophobicContact CB-CD1 3.82Å; I585-I662 HydrophobicContact CD1-CG1 4.47Å; L596-I662 HydrophobicContact CD1-CG2 4.1Å; L596-I662 HydrophobicContact CD2-CG2 4.14Å; L596-I662 HydrophobicContact CG-CG2 4.01Å; V600-I662 HydrophobicContact CG2-CB 4.15Å; V600-I662 HydrophobicContact CG2-CD1 4.45Å; V600-I662 HydrophobicContact CG2-CG2 3.48Å; V600-I662 VanDerWaalsContact CG2-CG2 3.48Å; C658-I662 VanDerWaalsContact O-CG1 3.24Å; C658-I662 WeakPolarHBondContact O-CG1 3.33Å; C658-I662 PolarHBondContact O-N 3.34Å; L659-I662 PolarHBondContact O-N 2.89Å; I662-G665 PolarHBondContact O-N 2.73Å; I662-T666 HydrophobicContact CG2-CG2 4.04Å; I662-T666 WeakPolarHBondContact O-CB 3.49Å; I662-T666 WeakPolarHBondContact O-CG2 3.36Å; I662-T666 PolarHBondContact O-N 2.82Å; I662-T666 PolarHBondContact O-OG1 3.4Å |
| 663 | L | 93.6 | Very high | 81.6 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 178.9 | -74.9 | 172.4 | 0 | 0 | 0 | 112.4 | L597 V600 L659 F660 E661 T666 G667 L691 M692 L695 | L597-L663 HydrophobicContact CD1-CD2 4.15Å; V600-L663 HydrophobicContact CG1-CD1 4.35Å; V600-L663 HydrophobicContact CG1-CD2 3.76Å; V600-L663 HydrophobicContact CG1-CG 3.94Å; L659-L663 WeakPolarHBondContact O-CB 3.48Å; L659-L663 VanDerWaalsContact O-CG 3.31Å; L659-L663 WeakPolarHBondContact O-CG 3.38Å; L659-L663 PolarHBondContact O-N 3.25Å; F660-L663 PolarHBondContact O-N 3.06Å; E661-L663 PolarHBondContact O-N 3.39Å; L663-T666 WeakPolarHBondContact CA-OG1 3.43Å; L663-T666 PolarHBondContact O-OG1 2.69Å; L663-G667 PolarHBondContact O-N 3.47Å; L663-G667 VanDerWaalsContact O-N 3.15Å; L663-L691 HydrophobicContact CD1-CB 4.1Å; L663-L691 HydrophobicContact CD2-CB 3.66Å; L663-L691 HydrophobicContact CD2-CD1 3.97Å; L663-L691 HydrophobicContact CD2-CG 4.47Å; L663-M692 HydrophobicContact CB-CE 3.43Å; L663-M692 VanDerWaalsContact CB-CE 3.43Å; L663-M692 HydrophobicContact CB-SD 4.33Å; L663-M692 HydrophobicContact CD1-CB 4.38Å; L663-M692 HydrophobicContact CD1-CE 4.18Å; L663-M692 HydrophobicContact CD1-SD 4.02Å; L663-M692 HydrophobicContact CG-CE 4.46Å; L663-L695 HydrophobicContact CD1-CD2 4Å |
| 664 | L | 92.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 172.7 | -71.3 | 177.8 | 0 | 0 | 0 | 111.3 | F660 E661 G667 A668 M692 L738 I761 R764 C765 I768 | F660-L664 HydrophobicContact CD1-CD1 3.93Å; F660-L664 HydrophobicContact CE1-CD1 3.43Å; F660-L664 VanDerWaalsContact CE1-CD1 3.43Å; F660-L664 HydrophobicContact CE1-CG 4.42Å; F660-L664 HydrophobicContact CE2-CD1 4.2Å; F660-L664 HydrophobicContact CE2-CG 4.49Å; F660-L664 HydrophobicContact CZ-CD1 3.58Å; F660-L664 HydrophobicContact CZ-CG 4.33Å; F660-L664 WeakPolarHBondContact O-CG 3.32Å; F660-L664 PolarHBondContact O-N 2.74Å; E661-L664 PolarHBondContact O-N 3.02Å; L664-G667 PolarHBondContact O-N 3.38Å; L664-A668 WeakPolarHBondContact O-CB 3.25Å; L664-A668 PolarHBondContact O-N 3.37Å; L664-M692 HydrophobicContact CD2-CE 3.94Å; L664-M692 HydrophobicContact CG-CE 4.04Å; L664-L738 HydrophobicContact CD1-CD2 3.84Å; L664-I761 HydrophobicContact CB-CG2 3.98Å; L664-I761 HydrophobicContact CD1-CG2 4.07Å; L664-R764 HydrophobicContact CD2-CB 4.43Å; L664-R764 HydrophobicContact CD2-CG 4.1Å; L664-C765 HydrophobicContact CD1-CB 3.96Å; L664-C765 HydrophobicContact CD2-CB 4.17Å; L664-I768 HydrophobicContact CD2-CD1 4.15Å |
| 665 | G | 89.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -49.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I585 E661 I662 G667 A668 T669 | I585-G665 VanDerWaalsContact CG2-CA 3.46Å; E661-G665 PolarHBondContact O-N 3.33Å; I662-G665 PolarHBondContact O-N 2.73Å; G665-G667 VanDerWaalsContact C-N 3.29Å; G665-G667 PolarHBondContact O-N 3.23Å; G665-A668 PolarHBondContact O-N 3.48Å; G665-T669 WeakPolarHBondContact O-CG2 3.43Å; G665-T669 PolarHBondContact O-N 3.19Å; G665-T669 PolarHBondContact O-OG1 3.12Å |
| 666 | T | 85.3 | Confident | 76.5 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -37.1 | 176.3 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | L596 I662 L663 A668 W670 | L596-T666 HydrophobicContact CD2-CG2 3.49Å; L596-T666 VanDerWaalsContact CD2-CG2 3.49Å; L596-T666 HydrophobicContact CG-CG2 3.96Å; I662-T666 HydrophobicContact CG2-CG2 4.04Å; I662-T666 WeakPolarHBondContact O-CB 3.49Å; I662-T666 WeakPolarHBondContact O-CG2 3.36Å; I662-T666 PolarHBondContact O-N 2.82Å; I662-T666 PolarHBondContact O-OG1 3.4Å; L663-T666 WeakPolarHBondContact CA-OG1 3.43Å; L663-T666 PolarHBondContact O-OG1 2.69Å; T666-A668 VanDerWaalsContact C-N 3.3Å; T666-W670 PolarHBondContact O-NE1 3.22Å |
| 667 | G | 81.4 | Confident | 75 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.6 | -18.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L663 L664 G665 L685 | L663-G667 PolarHBondContact O-N 3.47Å; L663-G667 VanDerWaalsContact O-N 3.15Å; L664-G667 PolarHBondContact O-N 3.38Å; G665-G667 VanDerWaalsContact C-N 3.29Å; G665-G667 PolarHBondContact O-N 3.23Å; G667-L685 WeakPolarHBondContact O-CD2 3.36Å |
| 668 | A | 78 | Confident | 73.8 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 20% | 0.198 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -96.1 | -34.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L664 G665 T666 W670 A760 R764 | L664-A668 WeakPolarHBondContact O-CB 3.25Å; L664-A668 PolarHBondContact O-N 3.37Å; G665-A668 PolarHBondContact O-N 3.48Å; T666-A668 VanDerWaalsContact C-N 3.3Å; A668-W670 PolarHBondContact O-N 2.83Å; A668-A760 HydrophobicContact CB-CB 3.65Å; A668-A760 WeakPolarHBondContact CB-O 3.45Å; A668-R764 HydrophobicContact CB-CB 3.79Å |
| 669 | T | 61.6 | Low | 72.4 | Confident | 29 Ų | 29 | 42.5 Ų | 42.5 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | trans | -80.4 | 36.4 | -167.9 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | I585 K593 G665 P671 | I585-T669 HydrophobicContact CG2-CG2 4.48Å; K593-T669 WeakPolarHBondContact CE-OG1 3.42Å; K593-T669 PolarHBondContact NZ-O 2.67Å; K593-T669 PolarHBondContact NZ-OG1 2.61Å; G665-T669 WeakPolarHBondContact O-CG2 3.43Å; G665-T669 PolarHBondContact O-N 3.19Å; G665-T669 PolarHBondContact O-OG1 3.12Å; T669-P671 WeakPolarHBondContact O-CD 2.84Å | ||
| 670 | W | 60 | Low | 71 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | trans | -89.5 | 117.1 | 176.8 | -61.5 | 82.4 | 0 | 0 | 0 | 108.9 | K593 T666 A668 V675 V676 F680 V684 | K593-W670 HydrophobicContact CD-CH2 3.73Å; K593-W670 HydrophobicContact CD-CZ2 3.57Å; K593-W670 HydrophobicContact CD-CZ3 4.34Å; T666-W670 PolarHBondContact O-NE1 3.22Å; A668-W670 PolarHBondContact O-N 2.83Å; W670-V675 HydrophobicContact CE3-CG1 3.79Å; W670-V675 HydrophobicContact CZ3-CG1 3.94Å; W670-V676 HydrophobicContact CB-CG2 3.41Å; W670-V676 VanDerWaalsContact CB-CG2 3.41Å; W670-V676 HydrophobicContact CG-CG2 4.17Å; W670-F680 HydrophobicContact CH2-CD1 4.18Å; W670-F680 AromaticContact CH2-CE1 3.55Å; W670-F680 HydrophobicContact CH2-CE1 3.55Å; W670-F680 HydrophobicContact CH2-CZ 4.43Å; W670-F680 AromaticContact CZ3-CD1 3.97Å; W670-F680 HydrophobicContact CZ3-CD1 3.97Å; W670-F680 AromaticContact CZ3-CE1 3.71Å; W670-F680 HydrophobicContact CZ3-CE1 3.71Å; W670-V684 HydrophobicContact CH2-CB 3.75Å; W670-V684 HydrophobicContact CH2-CG1 3.94Å; W670-V684 HydrophobicContact CH2-CG2 3.69Å; W670-V684 HydrophobicContact CZ2-CB 3.54Å; W670-V684 HydrophobicContact CZ2-CG1 3.36Å; W670-V684 HydrophobicContact CZ2-CG2 4Å | ||
| 671 | P | 49.4 | Very low | 70 | Confident | 65 Ų | 65 | 43.3 Ų | 43.3 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | trans | -55.1 | 150.1 | 176.7 | 20.7 | -29.9 | 0 | 0 | 0 | 110.2 | T669 N673 | T669-P671 WeakPolarHBondContact O-CD 2.84Å; P671-N673 PolarHBondContact O-N 2.88Å | ||
| 672 | E | 49.7 | Very low | 69.2 | Low | 155 Ų | 155 | 50 Ų | 50 | 72% | 0.724 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -60.9 | 10.8 | 178.2 | -63.3 | -174 | 158.1 | 0 | 0 | 114.9 | R847 | E672-R847 IonicContact OE1-CZ 3.79Å; E672-R847 IonicContact OE1-NH2 3.86Å; E672-R847 PolarHBondContact OE1-NH2 3.2Å |
| 673 | N | 48.5 | Very low | 68.4 | Low | 111 Ų | 111 | 51.8 Ų | 51.8 | 59% | 0.594 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -71.6 | 159.6 | 169.8 | -64.9 | -13.4 | 0 | 0 | 0 | 109.2 | P671 V675 | P671-N673 PolarHBondContact O-N 2.88Å; N673-V675 HydrophobicContact CB-CG2 3.98Å; N673-V675 PolarHBondContact O-N 3.34Å |
| 674 | D | 49.1 | Very low | 67.7 | Low | 140 Ų | 140 | 51.8 Ų | 51.8 | 75% | 0.749 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 13.7 | 174.5 | -72.1 | -48.8 | 0 | 0 | 0 | 115.5 | S677 S678 | D674-S677 VanDerWaalsContact C-OG 3.23Å; D674-S677 VanDerWaalsContact CA-OG 3.24Å; D674-S677 WeakPolarHBondContact CA-OG 3.1Å; D674-S677 PolarHBondContact O-OG 3.45Å; D674-S678 PolarHBondContact O-N 3.38Å |
| 675 | V | 53.8 | Low | 67.2 | Low | 37 Ų | 37 | 53.3 Ų | 53.3 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -36.6 | 176.5 | -172 | 0 | 0 | 0 | 0 | 111.2 | W670 N673 S677 S678 G681 | W670-V675 HydrophobicContact CE3-CG1 3.79Å; W670-V675 HydrophobicContact CZ3-CG1 3.94Å; N673-V675 HydrophobicContact CB-CG2 3.98Å; N673-V675 PolarHBondContact O-N 3.34Å; V675-S677 VanDerWaalsContact C-N 3.27Å; V675-S677 PolarHBondContact O-N 3.48Å; V675-S678 VanDerWaalsContact O-CB 3.31Å; V675-S678 WeakPolarHBondContact O-CB 3.46Å; V675-S678 PolarHBondContact O-N 3.24Å; V675-S678 PolarHBondContact O-OG 3.19Å; V675-G681 WeakPolarHBondContact O-CA 3.15Å; V675-G681 PolarHBondContact O-N 2.91Å |
| 676 | V | 57.5 | Low | 67.1 | Low | 62 Ų | 62 | 55.8 Ų | 55.8 | 38% | 0.376 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -36.7 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | W670 S678 L685 | W670-V676 HydrophobicContact CB-CG2 3.41Å; W670-V676 VanDerWaalsContact CB-CG2 3.41Å; W670-V676 HydrophobicContact CG-CG2 4.17Å; V676-S678 VanDerWaalsContact C-N 3.32Å; V676-L685 HydrophobicContact CG1-CD1 4Å |
| 677 | S | 61.2 | Low | 67.1 | Low | 57 Ų | 57 | 57 Ų | 57 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -23.3 | 175.7 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | D674 V675 R682 | D674-S677 VanDerWaalsContact C-OG 3.23Å; D674-S677 VanDerWaalsContact CA-OG 3.24Å; D674-S677 WeakPolarHBondContact CA-OG 3.1Å; D674-S677 PolarHBondContact O-OG 3.45Å; V675-S677 VanDerWaalsContact C-N 3.27Å; V675-S677 PolarHBondContact O-N 3.48Å; S677-R682 PolarHBondContact O-NE 2.95Å; S677-R682 PolarHBondContact O-NH2 2.98Å |
| 678 | S | 66.6 | Low | 67.5 | Low | 40 Ų | 40 | 56.9 Ų | 56.9 | 28% | 0.28 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -60.7 | 149 | 173 | 83.2 | 0 | 0 | 0 | 0 | 112.2 | D674 V675 V676 F680 G681 R682 | D674-S678 PolarHBondContact O-N 3.38Å; V675-S678 VanDerWaalsContact O-CB 3.31Å; V675-S678 WeakPolarHBondContact O-CB 3.46Å; V675-S678 PolarHBondContact O-N 3.24Å; V675-S678 PolarHBondContact O-OG 3.19Å; V676-S678 VanDerWaalsContact C-N 3.32Å; S678-F680 PolarHBondContact O-N 3.44Å; S678-F680 VanDerWaalsContact O-N 3.16Å; S678-G681 PolarHBondContact O-N 2.92Å; S678-G681 VanDerWaalsContact O-N 3.14Å; S678-G681 PolarHBondContact OG-N 3.44Å; S678-R682 PolarHBondContact O-N 3.45Å; S678-R682 VanDerWaalsContact O-N 3.12Å |
| 679 | D | 65.9 | Low | 68.1 | Low | 119 Ų | 119 | 58.4 Ų | 58.4 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.1 | -31.6 | 177.4 | -63.8 | -31.4 | 0 | 0 | 0 | 112.3 | T683 | D679-T683 WeakPolarHBondContact O-CB 3.43Å; D679-T683 PolarHBondContact O-N 2.81Å; D679-T683 PolarHBondContact O-OG1 3.2Å |
| 680 | F | 67.1 | Low | 69.5 | Low | 18 Ų | 18 | 63 Ų | 63 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.4 | -51.2 | 175.2 | -179.6 | -97.1 | 0 | 0 | 0 | 112.6 | N387 M388 I391 I590 W670 S678 R682 T683 V684 | N387-F680 HydrophobicContact CB-CD2 4.21Å; N387-F680 HydrophobicContact CB-CE2 4.09Å; M388-F680 VanDerWaalsContact SD-CA 3.51Å; M388-F680 HydrophobicContact SD-CB 3.85Å; M388-F680 HydrophobicContact SD-CD2 3.97Å; M388-F680 HydrophobicContact SD-CG 4.43Å; I391-F680 HydrophobicContact CD1-CE2 3.87Å; I391-F680 HydrophobicContact CD1-CZ 4.1Å; I590-F680 HydrophobicContact CB-CE1 4.01Å; I590-F680 HydrophobicContact CB-CZ 4.39Å; I590-F680 HydrophobicContact CD1-CD1 4.36Å; I590-F680 HydrophobicContact CD1-CE1 4.42Å; I590-F680 HydrophobicContact CG1-CD1 4.27Å; I590-F680 HydrophobicContact CG1-CE1 3.87Å; I590-F680 HydrophobicContact CG2-CD1 3.95Å; I590-F680 HydrophobicContact CG2-CE1 3.17Å; I590-F680 HydrophobicContact CG2-CE2 3.92Å; I590-F680 HydrophobicContact CG2-CZ 3.2Å; W670-F680 HydrophobicContact CH2-CD1 4.18Å; W670-F680 AromaticContact CH2-CE1 3.55Å; W670-F680 HydrophobicContact CH2-CE1 3.55Å; W670-F680 HydrophobicContact CH2-CZ 4.43Å; W670-F680 AromaticContact CZ3-CD1 3.97Å; W670-F680 HydrophobicContact CZ3-CD1 3.97Å; W670-F680 AromaticContact CZ3-CE1 3.71Å; W670-F680 HydrophobicContact CZ3-CE1 3.71Å; S678-F680 PolarHBondContact O-N 3.44Å; S678-F680 VanDerWaalsContact O-N 3.16Å; F680-R682 VanDerWaalsContact C-N 3.26Å; F680-R682 PolarHBondContact O-N 3.48Å; F680-T683 WeakPolarHBondContact O-CB 2.76Å; F680-T683 PolarHBondContact O-N 3.03Å; F680-V684 HydrophobicContact CD1-CG2 4.24Å; F680-V684 HydrophobicContact CE1-CG2 3.59Å; F680-V684 HydrophobicContact CE2-CG2 3.92Å; F680-V684 HydrophobicContact CZ-CG2 3.36Å; F680-V684 PolarHBondContact O-N 2.83Å |
| 681 | G | 73 | Confident | 71.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V675 S678 T683 V684 L685 | V675-G681 WeakPolarHBondContact O-CA 3.15Å; V675-G681 PolarHBondContact O-N 2.91Å; S678-G681 PolarHBondContact O-N 2.92Å; S678-G681 VanDerWaalsContact O-N 3.14Å; S678-G681 PolarHBondContact OG-N 3.44Å; G681-T683 PolarHBondContact O-N 3.42Å; G681-V684 PolarHBondContact O-N 3.23Å; G681-L685 WeakPolarHBondContact O-CB 3.21Å; G681-L685 WeakPolarHBondContact O-CG 3.4Å; G681-L685 PolarHBondContact O-N 2.9Å |
| 682 | R | 77.5 | Confident | 73.3 | Confident | 156 Ų | 156 | 59 Ų | 59 | 59% | 0.589 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 173.5 | -64.3 | -175 | -160.5 | -158.4 | 5.1 | 112.9 | S677 S678 F680 L685 S686 | S677-R682 PolarHBondContact O-NE 2.95Å; S677-R682 PolarHBondContact O-NH2 2.98Å; S678-R682 PolarHBondContact O-N 3.45Å; S678-R682 VanDerWaalsContact O-N 3.12Å; F680-R682 VanDerWaalsContact C-N 3.26Å; F680-R682 PolarHBondContact O-N 3.48Å; R682-L685 PolarHBondContact O-N 3.13Å; R682-S686 VanDerWaalsContact O-CB 3.27Å; R682-S686 WeakPolarHBondContact O-CB 3.29Å; R682-S686 PolarHBondContact O-N 3.36Å |
| 683 | T | 75.5 | Confident | 75.4 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | M388 D679 F680 G681 S686 S687 | M388-T683 HydrophobicContact CE-CG2 4.32Å; M388-T683 WeakPolarHBondContact CE-OG1 3.38Å; D679-T683 WeakPolarHBondContact O-CB 3.43Å; D679-T683 PolarHBondContact O-N 2.81Å; D679-T683 PolarHBondContact O-OG1 3.2Å; F680-T683 WeakPolarHBondContact O-CB 2.76Å; F680-T683 PolarHBondContact O-N 3.03Å; G681-T683 PolarHBondContact O-N 3.42Å; T683-S686 PolarHBondContact O-N 3.02Å; T683-S687 WeakPolarHBondContact O-CB 3.46Å; T683-S687 PolarHBondContact O-N 3.24Å |
| 684 | V | 78.8 | Confident | 77.6 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 176.5 | -177 | 0 | 0 | 0 | 0 | 111.4 | I391 L597 W670 F680 G681 S686 S687 C688 | I391-V684 HydrophobicContact CD1-CG2 3.59Å; L597-V684 HydrophobicContact CD2-CG1 4.09Å; W670-V684 HydrophobicContact CH2-CB 3.75Å; W670-V684 HydrophobicContact CH2-CG1 3.94Å; W670-V684 HydrophobicContact CH2-CG2 3.69Å; W670-V684 HydrophobicContact CZ2-CB 3.54Å; W670-V684 HydrophobicContact CZ2-CG1 3.36Å; W670-V684 HydrophobicContact CZ2-CG2 4Å; F680-V684 HydrophobicContact CD1-CG2 4.24Å; F680-V684 HydrophobicContact CE1-CG2 3.59Å; F680-V684 HydrophobicContact CE2-CG2 3.92Å; F680-V684 HydrophobicContact CZ-CG2 3.36Å; F680-V684 PolarHBondContact O-N 2.83Å; G681-V684 PolarHBondContact O-N 3.23Å; V684-S686 VanDerWaalsContact C-N 3.31Å; V684-S686 PolarHBondContact O-N 2.94Å; V684-S687 CarbonylContact O-C 3.21Å; V684-S687 WeakPolarHBondContact O-CA 3.32Å; V684-S687 WeakPolarHBondContact O-CB 3.4Å; V684-S687 PolarHBondContact O-N 2.95Å; V684-S687 VanDerWaalsContact O-N 3.07Å; V684-C688 PolarHBondContact O-N 3.42Å; V684-C688 PolarHBondContact O-SG 2.93Å; V684-C688 VanDerWaalsContact O-SG 3.36Å |
| 685 | L | 82.7 | Confident | 79.8 | Confident | 32 Ų | 32 | 48.5 Ų | 48.5 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 175 | -72.1 | 173 | 0 | 0 | 0 | 111.6 | G667 V676 G681 R682 S687 C688 D689 | G667-L685 WeakPolarHBondContact O-CD2 3.36Å; V676-L685 HydrophobicContact CG1-CD1 4Å; G681-L685 WeakPolarHBondContact O-CB 3.21Å; G681-L685 WeakPolarHBondContact O-CG 3.4Å; G681-L685 PolarHBondContact O-N 2.9Å; R682-L685 PolarHBondContact O-N 3.13Å; L685-S687 VanDerWaalsContact C-N 3.28Å; L685-S687 PolarHBondContact O-N 3.49Å; L685-C688 PolarHBondContact O-N 2.89Å; L685-D689 WeakPolarHBondContact O-CB 3.34Å; L685-D689 PolarHBondContact O-N 3.48Å |
| 686 | S | 85.9 | Confident | 81.8 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 37% | 0.371 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 174.5 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | R682 T683 V684 D689 K690 | R682-S686 VanDerWaalsContact O-CB 3.27Å; R682-S686 WeakPolarHBondContact O-CB 3.29Å; R682-S686 PolarHBondContact O-N 3.36Å; T683-S686 PolarHBondContact O-N 3.02Å; V684-S686 VanDerWaalsContact C-N 3.31Å; V684-S686 PolarHBondContact O-N 2.94Å; S686-D689 PolarHBondContact O-N 2.83Å; S686-K690 WeakPolarHBondContact O-CB 3.43Å; S686-K690 VanDerWaalsContact O-CG 3.26Å; S686-K690 WeakPolarHBondContact O-CG 3.35Å; S686-K690 PolarHBondContact O-N 3.38Å |
| 687 | S | 85.9 | Confident | 83.5 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -47.2 | 176.1 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | L597 T683 V684 L685 D689 K690 L691 | L597-S687 WeakPolarHBondContact CD2-OG 3.35Å; T683-S687 WeakPolarHBondContact O-CB 3.46Å; T683-S687 PolarHBondContact O-N 3.24Å; V684-S687 CarbonylContact O-C 3.21Å; V684-S687 WeakPolarHBondContact O-CA 3.32Å; V684-S687 WeakPolarHBondContact O-CB 3.4Å; V684-S687 PolarHBondContact O-N 2.95Å; V684-S687 VanDerWaalsContact O-N 3.07Å; L685-S687 VanDerWaalsContact C-N 3.28Å; L685-S687 PolarHBondContact O-N 3.49Å; S687-D689 VanDerWaalsContact C-N 3.26Å; S687-D689 PolarHBondContact O-N 3.11Å; S687-K690 PolarHBondContact O-N 3.39Å; S687-L691 WeakPolarHBondContact O-CB 3.25Å; S687-L691 VanDerWaalsContact O-CG 3.3Å; S687-L691 WeakPolarHBondContact O-CG 3.43Å; S687-L691 PolarHBondContact O-N 3.24Å |
| 688 | C | 89.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.6 | -43 | 172.8 | -68.5 | 0 | 0 | 0 | 0 | 111.4 | V684 L685 L691 M692 | V684-C688 PolarHBondContact O-N 3.42Å; V684-C688 PolarHBondContact O-SG 2.93Å; V684-C688 VanDerWaalsContact O-SG 3.36Å; L685-C688 PolarHBondContact O-N 2.89Å; C688-L691 PolarHBondContact O-N 2.88Å; C688-M692 WeakPolarHBondContact O-CB 3.42Å; C688-M692 PolarHBondContact O-N 3.28Å |
| 689 | D | 90.4 | Very high | 86.4 | Confident | 56 Ų | 56 | 42.1 Ų | 42.1 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.1 | -41.1 | -180 | -68.2 | -15.8 | 0 | 0 | 0 | 112 | L685 S686 S687 M692 Q693 R764 | L685-D689 WeakPolarHBondContact O-CB 3.34Å; L685-D689 PolarHBondContact O-N 3.48Å; S686-D689 PolarHBondContact O-N 2.83Å; S687-D689 VanDerWaalsContact C-N 3.26Å; S687-D689 PolarHBondContact O-N 3.11Å; D689-M692 PolarHBondContact O-N 3.46Å; D689-Q693 WeakPolarHBondContact O-CG 3.36Å; D689-Q693 PolarHBondContact O-N 3.36Å; D689-R764 VanDerWaalsContact CG-NH2 3.29Å; D689-R764 IonicContact OD1-CZ 2.73Å; D689-R764 IonicContact OD1-NH2 3.96Å; D689-R764 PolarHBondContact OD1-NH2 2.81Å; D689-R764 IonicContact OD2-NH2 3.06Å; D689-R764 PolarHBondContact OD2-NH2 2.95Å |
| 690 | K | 91.2 | Very high | 87.6 | Confident | 127 Ų | 127 | 40 Ų | 40 | 55% | 0.552 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -62.9 | -42.5 | 173.2 | -74.2 | 171.5 | -177.1 | 177.7 | 0 | 112 | S686 S687 Q693 R694 | S686-K690 WeakPolarHBondContact O-CB 3.43Å; S686-K690 VanDerWaalsContact O-CG 3.26Å; S686-K690 WeakPolarHBondContact O-CG 3.35Å; S686-K690 PolarHBondContact O-N 3.38Å; S687-K690 PolarHBondContact O-N 3.39Å; K690-Q693 PolarHBondContact O-N 2.85Å; K690-R694 WeakPolarHBondContact O-CG 3.44Å; K690-R694 PolarHBondContact O-N 3.5Å |
| 691 | L | 93.5 | Very high | 88.8 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.2 | -36.4 | 177.3 | -66.8 | 179.9 | 0 | 0 | 0 | 111.8 | L597 V600 Q601 I604 L663 S687 C688 Q693 R694 L695 | L597-L691 HydrophobicContact CD1-CD1 3.46Å; L597-L691 VanDerWaalsContact CD1-CD1 3.46Å; L597-L691 HydrophobicContact CG-CD1 3.86Å; V600-L691 HydrophobicContact CG1-CD1 4.24Å; Q601-L691 HydrophobicContact CB-CD1 4.44Å; Q601-L691 HydrophobicContact CB-CD2 4.32Å; I604-L691 HydrophobicContact CD1-CB 4Å; I604-L691 HydrophobicContact CD1-CD2 4.17Å; L663-L691 HydrophobicContact CD1-CB 4.1Å; L663-L691 HydrophobicContact CD2-CB 3.66Å; L663-L691 HydrophobicContact CD2-CD1 3.97Å; L663-L691 HydrophobicContact CD2-CG 4.47Å; S687-L691 WeakPolarHBondContact O-CB 3.25Å; S687-L691 VanDerWaalsContact O-CG 3.3Å; S687-L691 WeakPolarHBondContact O-CG 3.43Å; S687-L691 PolarHBondContact O-N 3.24Å; C688-L691 PolarHBondContact O-N 2.88Å; L691-Q693 VanDerWaalsContact C-N 3.34Å; L691-R694 PolarHBondContact O-N 3.25Å; L691-L695 WeakPolarHBondContact O-CB 3.18Å; L691-L695 PolarHBondContact O-N 3Å |
| 692 | M | 94.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 174.4 | -165.5 | 68.2 | 77.7 | 0 | 0 | 111.3 | F660 L663 L664 C688 D689 L695 A696 M727 L730 | F660-M692 HydrophobicContact CD2-CE 4.11Å; F660-M692 HydrophobicContact CD2-SD 3.54Å; F660-M692 VanDerWaalsContact CD2-SD 3.54Å; F660-M692 HydrophobicContact CE2-CE 4.35Å; F660-M692 HydrophobicContact CE2-SD 3.99Å; L663-M692 HydrophobicContact CB-CE 3.43Å; L663-M692 VanDerWaalsContact CB-CE 3.43Å; L663-M692 HydrophobicContact CB-SD 4.33Å; L663-M692 HydrophobicContact CD1-CB 4.38Å; L663-M692 HydrophobicContact CD1-CE 4.18Å; L663-M692 HydrophobicContact CD1-SD 4.02Å; L663-M692 HydrophobicContact CG-CE 4.46Å; L664-M692 HydrophobicContact CD2-CE 3.94Å; L664-M692 HydrophobicContact CG-CE 4.04Å; C688-M692 WeakPolarHBondContact O-CB 3.42Å; C688-M692 PolarHBondContact O-N 3.28Å; D689-M692 PolarHBondContact O-N 3.46Å; M692-L695 PolarHBondContact O-N 3.06Å; M692-A696 WeakPolarHBondContact O-CB 3.33Å; M692-A696 PolarHBondContact O-N 3.14Å; M692-M727 HydrophobicContact CG-CE 3.64Å; M692-M727 HydrophobicContact CG-SD 4.04Å; M692-L730 HydrophobicContact SD-CD2 4.11Å |
| 693 | Q | 94 | Very high | 90 | Very high | 119 Ų | 119 | 34.4 Ų | 34.4 | 56% | 0.556 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -63.4 | -43.9 | 174.6 | -71.4 | 173.1 | 7.6 | 0 | 0 | 112.1 | D689 K690 L691 A696 V697 | D689-Q693 WeakPolarHBondContact O-CG 3.36Å; D689-Q693 PolarHBondContact O-N 3.36Å; K690-Q693 PolarHBondContact O-N 2.85Å; L691-Q693 VanDerWaalsContact C-N 3.34Å; Q693-A696 WeakPolarHBondContact O-CB 3.41Å; Q693-A696 PolarHBondContact O-N 2.77Å; Q693-V697 WeakPolarHBondContact O-CG2 3.46Å; Q693-V697 PolarHBondContact O-N 3.12Å |
| 694 | R | 94.9 | Very high | 90.5 | Very high | 65 Ų | 65 | 36 Ų | 36 | 25% | 0.245 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 175.6 | -75.5 | 175.4 | 61.2 | -156 | -3.3 | 112.1 | Q601 I604 E608 K690 L691 A696 V697 C698 | Q601-R694 VanDerWaalsContact CD-NH1 3.34Å; I604-R694 HydrophobicContact CG2-CB 4.09Å; E608-R694 IonicContact OE1-CZ 3.9Å; E608-R694 VanDerWaalsContact OE1-CZ 3.3Å; E608-R694 IonicContact OE1-NE 3.19Å; E608-R694 PolarHBondContact OE1-NE 2.91Å; E608-R694 IonicContact OE1-NH2 3.76Å; E608-R694 PolarHBondContact OE1-NH2 3.04Å; E608-R694 IonicContact OE2-CZ 2.65Å; E608-R694 IonicContact OE2-NE 3.32Å; E608-R694 IonicContact OE2-NH2 2.77Å; E608-R694 PolarHBondContact OE2-NH2 3.22Å; K690-R694 WeakPolarHBondContact O-CG 3.44Å; K690-R694 PolarHBondContact O-N 3.5Å; L691-R694 PolarHBondContact O-N 3.25Å; R694-A696 VanDerWaalsContact C-N 3.27Å; R694-A696 PolarHBondContact O-N 3.38Å; R694-V697 PolarHBondContact O-N 3.19Å; R694-C698 PolarHBondContact O-N 3.43Å; R694-C698 PolarHBondContact O-SG 3.41Å; R694-C698 VanDerWaalsContact O-SG 3.33Å |
| 695 | L | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 174.8 | -177.4 | 62.4 | 0 | 0 | 0 | 111.7 | I604 L607 R656 L659 F660 L663 L691 M692 C698 H699 L730 | I604-L695 HydrophobicContact CD1-CB 4.2Å; L607-L695 HydrophobicContact CD1-CD1 4.21Å; R656-L695 HydrophobicContact CB-CD1 4.31Å; R656-L695 HydrophobicContact CG-CD1 4.26Å; L659-L695 HydrophobicContact CB-CD1 4.22Å; L659-L695 HydrophobicContact CB-CD2 3.88Å; L659-L695 HydrophobicContact CD1-CD1 4.06Å; F660-L695 HydrophobicContact CB-CD2 4.07Å; L663-L695 HydrophobicContact CD1-CD2 4Å; L691-L695 WeakPolarHBondContact O-CB 3.18Å; L691-L695 PolarHBondContact O-N 3Å; M692-L695 PolarHBondContact O-N 3.06Å; L695-C698 PolarHBondContact O-N 3.11Å; L695-H699 WeakPolarHBondContact O-CB 3.3Å; L695-H699 PolarHBondContact O-N 3.23Å; L695-L730 HydrophobicContact CB-CD2 4.45Å; L695-L730 HydrophobicContact CD2-CD2 4.22Å; L695-L730 HydrophobicContact CG-CD1 4.24Å; L695-L730 HydrophobicContact CG-CD2 4.13Å |
| 696 | A | 94.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M692 Q693 R694 H699 R700 D726 M727 L730 | M692-A696 WeakPolarHBondContact O-CB 3.33Å; M692-A696 PolarHBondContact O-N 3.14Å; Q693-A696 WeakPolarHBondContact O-CB 3.41Å; Q693-A696 PolarHBondContact O-N 2.77Å; R694-A696 VanDerWaalsContact C-N 3.27Å; R694-A696 PolarHBondContact O-N 3.38Å; A696-H699 WeakPolarHBondContact O-CB 3.45Å; A696-H699 PolarHBondContact O-N 3.1Å; A696-R700 PolarHBondContact O-N 2.65Å; A696-D726 HydrophobicContact CB-CB 4.13Å; A696-M727 HydrophobicContact CB-CG 4.21Å; A696-M727 HydrophobicContact CB-SD 3.64Å; A696-L730 HydrophobicContact CB-CB 4.12Å; A696-L730 HydrophobicContact CB-CD2 3.97Å |
| 697 | V | 94.6 | Very high | 90.5 | Very high | 57 Ų | 57 | 40 Ų | 40 | 35% | 0.345 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.4 | -46 | 173.3 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | Q693 R694 H699 R700 D701 | Q693-V697 WeakPolarHBondContact O-CG2 3.46Å; Q693-V697 PolarHBondContact O-N 3.12Å; R694-V697 PolarHBondContact O-N 3.19Å; V697-H699 VanDerWaalsContact C-N 3.3Å; V697-H699 PolarHBondContact O-N 3.44Å; V697-R700 PolarHBondContact O-N 2.96Å; V697-D701 PolarHBondContact O-N 2.88Å; V697-D701 VanDerWaalsContact O-N 3.08Å |
| 698 | C | 94.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.02 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.2 | -42.4 | 175 | -70.3 | 0 | 0 | 0 | 0 | 111.6 | E608 I611 R694 L695 D701 C702 | E608-C698 WeakPolarHBondContact CG-SG 3.31Å; I611-C698 HydrophobicContact CD1-CB 3.81Å; R694-C698 PolarHBondContact O-N 3.43Å; R694-C698 PolarHBondContact O-SG 3.41Å; R694-C698 VanDerWaalsContact O-SG 3.33Å; L695-C698 PolarHBondContact O-N 3.11Å; C698-D701 PolarHBondContact O-N 3.22Å; C698-C702 WeakPolarHBondContact O-CB 3.41Å; C698-C702 PolarHBondContact O-N 3.42Å; C698-C702 PolarHBondContact O-SG 3.43Å |
| 699 | H | 93.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 178.7 | -179.4 | 65.8 | 0 | 0 | 0 | 112.6 | R656 L695 A696 V697 D701 C702 I703 Q729 L730 N733 | R656-H699 PolarHBondContact NE-ND1 3.27Å; R656-H699 VanDerWaalsContact NE-ND1 3.17Å; L695-H699 WeakPolarHBondContact O-CB 3.3Å; L695-H699 PolarHBondContact O-N 3.23Å; A696-H699 WeakPolarHBondContact O-CB 3.45Å; A696-H699 PolarHBondContact O-N 3.1Å; V697-H699 VanDerWaalsContact C-N 3.3Å; V697-H699 PolarHBondContact O-N 3.44Å; H699-D701 VanDerWaalsContact C-N 3.32Å; H699-D701 PolarHBondContact O-N 3.43Å; H699-C702 PolarHBondContact O-N 2.97Å; H699-I703 VanDerWaalsContact NE2-CD1 3.27Å; H699-I703 WeakPolarHBondContact NE2-CD1 3.5Å; H699-I703 WeakPolarHBondContact O-CG1 3.46Å; H699-I703 PolarHBondContact O-N 3.16Å; H699-Q729 PolarHBondContact NE2-O 3.03Å; H699-L730 HydrophobicContact CB-CD1 3.79Å; H699-L730 VanDerWaalsContact CD2-CA 3.48Å; H699-L730 WeakPolarHBondContact CD2-CA 3.41Å; H699-N733 PolarHBondContact CE1-ND2 2.75Å |
| 700 | R | 91.4 | Very high | 87.7 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.4 | -49.5 | 174.1 | 177.6 | -160.4 | 67.6 | -157.6 | 3.4 | 111.2 | A696 V697 I703 N704 D726 | A696-R700 PolarHBondContact O-N 2.65Å; V697-R700 PolarHBondContact O-N 2.96Å; R700-I703 PolarHBondContact O-N 3.25Å; R700-N704 PolarHBondContact O-N 3.28Å; R700-N704 PolarHBondContact O-ND2 3.42Å; R700-D726 VanDerWaalsContact CD-OD1 3.31Å; R700-D726 WeakPolarHBondContact CD-OD1 3.46Å; R700-D726 IonicContact CZ-OD2 3.33Å; R700-D726 IonicContact NE-OD2 3.68Å; R700-D726 IonicContact NH1-OD1 2.59Å; R700-D726 IonicContact NH1-OD2 2.78Å; R700-D726 PolarHBondContact NH1-OD2 3.21Å |
| 701 | D | 91.2 | Very high | 86.1 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | -177 | -73.8 | 0.7 | 0 | 0 | 0 | 111.9 | I611 K615 V697 C698 H699 I703 N704 L705 | I611-D701 HydrophobicContact CD1-CB 4.1Å; I611-D701 HydrophobicContact CG1-CB 4.47Å; I611-D701 HydrophobicContact CG2-CB 3.85Å; K615-D701 VanDerWaalsContact NZ-CG 3.35Å; K615-D701 IonicContact NZ-OD1 2.64Å; K615-D701 IonicContact NZ-OD2 3.16Å; K615-D701 PolarHBondContact NZ-OD2 2.8Å; V697-D701 PolarHBondContact O-N 2.88Å; V697-D701 VanDerWaalsContact O-N 3.08Å; C698-D701 PolarHBondContact O-N 3.22Å; H699-D701 VanDerWaalsContact C-N 3.32Å; H699-D701 PolarHBondContact O-N 3.43Å; D701-I703 VanDerWaalsContact C-N 3.34Å; D701-I703 PolarHBondContact O-N 2.84Å; D701-N704 PolarHBondContact O-N 3.41Å; D701-L705 WeakPolarHBondContact O-CB 3.14Å; D701-L705 WeakPolarHBondContact O-CG 3.48Å; D701-L705 PolarHBondContact O-N 3.04Å |
| 702 | C | 89.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 173 | -73.4 | 0 | 0 | 0 | 0 | 112.5 | I650 R656 C698 H699 S706 | I650-C702 HydrophobicContact CG2-CB 3.89Å; R656-C702 PolarHBondContact NH1-SG 3.28Å; C698-C702 WeakPolarHBondContact O-CB 3.41Å; C698-C702 PolarHBondContact O-N 3.42Å; C698-C702 PolarHBondContact O-SG 3.43Å; H699-C702 PolarHBondContact O-N 2.97Å; C702-S706 VanDerWaalsContact O-CB 3.23Å; C702-S706 WeakPolarHBondContact O-CB 3.27Å; C702-S706 PolarHBondContact O-N 3.42Å; C702-S706 PolarHBondContact O-OG 3.22Å |
| 703 | I | 85.8 | Confident | 82 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -47.1 | 175.4 | -72.9 | 170.6 | 0 | 0 | 0 | 110.1 | H699 R700 D701 L705 S706 R707 | H699-I703 VanDerWaalsContact NE2-CD1 3.27Å; H699-I703 WeakPolarHBondContact NE2-CD1 3.5Å; H699-I703 WeakPolarHBondContact O-CG1 3.46Å; H699-I703 PolarHBondContact O-N 3.16Å; R700-I703 PolarHBondContact O-N 3.25Å; D701-I703 VanDerWaalsContact C-N 3.34Å; D701-I703 PolarHBondContact O-N 2.84Å; I703-L705 PolarHBondContact O-N 3.44Å; I703-S706 PolarHBondContact O-N 3.21Å; I703-R707 WeakPolarHBondContact O-CG 3.44Å; I703-R707 PolarHBondContact O-N 3.39Å |
| 704 | N | 86.7 | Confident | 79.6 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | -179.4 | -71.1 | -22.5 | 0 | 0 | 0 | 111.9 | R700 D701 R707 Q708 | R700-N704 PolarHBondContact O-N 3.28Å; R700-N704 PolarHBondContact O-ND2 3.42Å; D701-N704 PolarHBondContact O-N 3.41Å; N704-R707 PolarHBondContact O-N 3.15Å; N704-R707 PolarHBondContact OD1-NH1 3.34Å; N704-Q708 WeakPolarHBondContact O-CB 3.21Å; N704-Q708 PolarHBondContact O-N 3.08Å |
| 705 | L | 85.5 | Confident | 77.4 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64 | -41 | 174.6 | -73.4 | 168.5 | 0 | 0 | 0 | 111.6 | I611 L614 K615 I650 D701 I703 R707 Q708 Y709 | I611-L705 HydrophobicContact CB-CD1 4.26Å; I611-L705 HydrophobicContact CG1-CD1 4.25Å; I611-L705 HydrophobicContact CG2-CD1 3.95Å; L614-L705 HydrophobicContact CB-CD1 4.13Å; L614-L705 HydrophobicContact CB-CD2 4.08Å; K615-L705 HydrophobicContact CG-CD1 4.33Å; K615-L705 HydrophobicContact CG-CD2 3.96Å; K615-L705 HydrophobicContact CG-CG 4.49Å; I650-L705 HydrophobicContact CD1-CD1 3.75Å; I650-L705 HydrophobicContact CG2-CB 4.47Å; D701-L705 WeakPolarHBondContact O-CB 3.14Å; D701-L705 WeakPolarHBondContact O-CG 3.48Å; D701-L705 PolarHBondContact O-N 3.04Å; I703-L705 PolarHBondContact O-N 3.44Å; L705-R707 VanDerWaalsContact C-N 3.28Å; L705-R707 PolarHBondContact O-N 3Å; L705-Q708 PolarHBondContact O-N 3.3Å; L705-Y709 HydrophobicContact CD2-CD2 4.41Å; L705-Y709 HydrophobicContact CD2-CE2 4Å; L705-Y709 WeakPolarHBondContact O-CD2 3.47Å; L705-Y709 PolarHBondContact O-N 3.38Å |
| 706 | S | 83 | Confident | 74.8 | Confident | 8 Ų | 8 | 76.7 Ų | 76.7 | 6% | 0.056 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 177.5 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | C702 I703 R710 L711 | C702-S706 VanDerWaalsContact O-CB 3.23Å; C702-S706 WeakPolarHBondContact O-CB 3.27Å; C702-S706 PolarHBondContact O-N 3.42Å; C702-S706 PolarHBondContact O-OG 3.22Å; I703-S706 PolarHBondContact O-N 3.21Å; S706-R710 CarbonylContact O-C 3.34Å; S706-R710 PolarHBondContact O-N 2.89Å; S706-L711 PolarHBondContact O-N 2.92Å |
| 707 | R | 80 | Confident | 72.4 | Confident | 160 Ų | 160 | 79.6 Ų | 79.6 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.6 | -48 | 172.2 | -69.9 | 176.2 | -171.9 | 143.8 | -1.8 | 111.9 | I703 N704 L705 Y709 R710 | I703-R707 WeakPolarHBondContact O-CG 3.44Å; I703-R707 PolarHBondContact O-N 3.39Å; N704-R707 PolarHBondContact O-N 3.15Å; N704-R707 PolarHBondContact OD1-NH1 3.34Å; L705-R707 VanDerWaalsContact C-N 3.28Å; L705-R707 PolarHBondContact O-N 3Å; R707-Y709 VanDerWaalsContact C-N 3.33Å; R707-Y709 PolarHBondContact O-N 3.3Å; R707-R710 PolarHBondContact O-N 2.97Å; R707-R710 VanDerWaalsContact O-N 3.14Å |
| 708 | Q | 76.9 | Confident | 70.1 | Confident | 136 Ų | 136 | 82.9 Ų | 82.9 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -57.8 | -45 | -179 | -177.7 | -179.9 | 0.3 | 0 | 0 | 112 | N704 L705 R710 | N704-Q708 WeakPolarHBondContact O-CB 3.21Å; N704-Q708 PolarHBondContact O-N 3.08Å; L705-Q708 PolarHBondContact O-N 3.3Å; Q708-R710 VanDerWaalsContact C-N 3.32Å |
| 709 | Y | 67.8 | Low | 67.8 | Low | 59 Ų | 59 | 85.8 Ų | 85.8 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 7.1 | -179 | -73.2 | -75.7 | 0 | 0 | 0 | 113.7 | L614 Y643 L705 R707 L711 | L614-Y709 HydrophobicContact CB-CE2 4.21Å; L614-Y709 PolarHBondContact O-OH 3.3Å; Y643-Y709 WeakPolarHBondContact OH-CE1 3.26Å; Y643-Y709 PolarHBondContact OH-OH 3.2Å; L705-Y709 HydrophobicContact CD2-CD2 4.41Å; L705-Y709 HydrophobicContact CD2-CE2 4Å; L705-Y709 WeakPolarHBondContact O-CD2 3.47Å; L705-Y709 PolarHBondContact O-N 3.38Å; R707-Y709 VanDerWaalsContact C-N 3.33Å; R707-Y709 PolarHBondContact O-N 3.3Å; Y709-L711 VanDerWaalsContact CB-CG 3.42Å; Y709-L711 HydrophobicContact CD2-CD1 4.44Å; Y709-L711 HydrophobicContact CG-CD1 4.25Å; Y709-L711 PolarHBondContact O-N 3.46Å |
| 710 | R | 62.5 | Low | 65.6 | Low | 229 Ų | 229 | 93 Ų | 93 | 86% | 0.864 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 36.9 | -175.2 | -57.4 | -178.7 | -179.4 | 176.3 | 0 | 113 | S706 R707 Q708 | S706-R710 CarbonylContact O-C 3.34Å; S706-R710 PolarHBondContact O-N 2.89Å; R707-R710 PolarHBondContact O-N 2.97Å; R707-R710 VanDerWaalsContact O-N 3.14Å; Q708-R710 VanDerWaalsContact C-N 3.32Å |
| 711 | L | 56.5 | Low | 63.6 | Low | 39 Ų | 39 | 93 Ų | 93 | 20% | 0.204 | 44% | 0.444 | C | S | . | . | trans | -83.2 | -19.4 | -173.2 | -65.3 | 170.8 | 0 | 0 | 0 | 113.4 | Q651 S706 Y709 | Q651-L711 HydrophobicContact CG-CB 3.84Å; Q651-L711 HydrophobicContact CG-CD1 4.35Å; Q651-L711 HydrophobicContact CG-CG 4.45Å; Q651-L711 VanDerWaalsContact NE2-CD2 3.27Å; Q651-L711 PolarHBondContact NE2-O 3.34Å; S706-L711 PolarHBondContact O-N 2.92Å; Y709-L711 VanDerWaalsContact CB-CG 3.42Å; Y709-L711 HydrophobicContact CD2-CD1 4.44Å; Y709-L711 HydrophobicContact CG-CD1 4.25Å; Y709-L711 PolarHBondContact O-N 3.46Å | ||
| 712 | S | 52.7 | Low | 61.9 | Low | 66 Ų | 66 | 98.3 Ų | 98.3 | 46% | 0.462 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -112.1 | 136.7 | -176.1 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 713 | K | 50.1 | Low | 60.4 | Low | 198 Ų | 198 | 100.2 Ų | 100.2 | 86% | 0.861 | 49% | 0.489 | S | S | * | . | trans | -68.4 | 132.6 | 160.1 | -67 | -178.8 | 178.4 | -180 | 0 | 108.2 | K715 | K713-K715 PolarHBondContact O-N 2.79Å; K713-K715 VanDerWaalsContact O-N 3.07Å | ||
| 714 | E | 43 | Very low | 59.5 | Low | 183 Ų | 183 | 102.7 Ų | 102.7 | 86% | 0.855 | 52% | 0.516 | S | S | * | . | trans | -53.4 | 116.1 | 172.3 | -76.7 | 176.4 | 153.9 | 0 | 0 | 108.6 | ||||
| 715 | K | 49.7 | Very low | 59.3 | Low | 132 Ų | 132 | 101.4 Ų | 101.4 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | trans | -86.7 | 115.6 | 162.8 | -72.7 | -174.7 | 179.1 | 179.2 | 0 | 105.7 | K713 F717 | K713-K715 PolarHBondContact O-N 2.79Å; K713-K715 VanDerWaalsContact O-N 3.07Å; K715-F717 VanDerWaalsContact C-N 3.29Å; K715-F717 HydrophobicContact CB-CD2 3.55Å; K715-F717 HydrophobicContact CB-CE2 3.53Å; K715-F717 HydrophobicContact CB-CZ 4.49Å; K715-F717 HydrophobicContact CD-CE2 3.72Å; K715-F717 HydrophobicContact CD-CZ 4.39Å; K715-F717 HydrophobicContact CG-CE2 4.28Å; K715-F717 PolarHBondContact O-N 2.92Å | ||
| 716 | D | 40.8 | Very low | 59.4 | Low | 132 Ų | 132 | 103.3 Ų | 103.3 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | trans | -62.7 | 92.2 | 177.3 | -70.3 | -35.6 | 0 | 0 | 0 | 110 | ||||
| 717 | F | 45.5 | Very low | 59.7 | Low | 63 Ų | 63 | 104.5 Ų | 104.5 | 28% | 0.276 | 53% | 0.528 | S | S | . | . | trans | -119.7 | 91.4 | 178.1 | -85.9 | -49.2 | 0 | 0 | 0 | 106 | K715 V719 F732 F778 | K715-F717 VanDerWaalsContact C-N 3.29Å; K715-F717 HydrophobicContact CB-CD2 3.55Å; K715-F717 HydrophobicContact CB-CE2 3.53Å; K715-F717 HydrophobicContact CB-CZ 4.49Å; K715-F717 HydrophobicContact CD-CE2 3.72Å; K715-F717 HydrophobicContact CD-CZ 4.39Å; K715-F717 HydrophobicContact CG-CE2 4.28Å; K715-F717 PolarHBondContact O-N 2.92Å; F717-V719 PolarHBondContact O-N 3.49Å; F717-F732 HydrophobicContact CB-CE1 3.44Å; F717-F732 VanDerWaalsContact CB-CE1 3.44Å; F717-F732 HydrophobicContact CB-CZ 3.35Å; F717-F732 AromaticContact CD1-CE1 3.62Å; F717-F732 HydrophobicContact CD1-CE1 3.62Å; F717-F732 HydrophobicContact CD1-CE2 4.5Å; F717-F732 AromaticContact CD1-CZ 3.38Å; F717-F732 HydrophobicContact CD1-CZ 3.38Å; F717-F732 AromaticContact CD2-CE1 3.68Å; F717-F732 HydrophobicContact CD2-CE1 3.68Å; F717-F732 HydrophobicContact CD2-CZ 4.25Å; F717-F732 HydrophobicContact CE1-CE1 4.26Å; F717-F732 HydrophobicContact CE1-CZ 4.23Å; F717-F732 HydrophobicContact CE2-CE1 4.29Å; F717-F732 AromaticContact CG-CE1 3.3Å; F717-F732 HydrophobicContact CG-CE1 3.3Å; F717-F732 AromaticContact CG-CZ 3.4Å; F717-F732 HydrophobicContact CG-CZ 3.4Å; F717-F732 VanDerWaalsContact CG-CZ 3.4Å; F717-F778 HydrophobicContact CE1-CB 4.17Å | ||
| 718 | E | 44.8 | Very low | 60 | Low | 126 Ų | 126 | 97.3 Ų | 97.3 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | trans | -69.2 | 103.4 | 171.6 | -81.6 | 177.8 | 166.6 | 0 | 0 | 108.5 | K788 | E718-K788 IonicContact OE2-NZ 3.13Å; E718-K788 PolarHBondContact OE2-NZ 3.33Å | ||
| 719 | V | 45.7 | Very low | 60.5 | Low | 63 Ų | 63 | 92.8 Ų | 92.8 | 38% | 0.382 | 48% | 0.48 | S | S | . | . | trans | -90.9 | 118.1 | 168 | -153.3 | 0 | 0 | 0 | 0 | 107.5 | F717 S721 F732 | F717-V719 PolarHBondContact O-N 3.49Å; V719-S721 WeakPolarHBondContact CB-O 3.42Å; V719-S721 WeakPolarHBondContact CG1-O 3.39Å; V719-S721 PolarHBondContact O-N 3.24Å; V719-F732 HydrophobicContact CG2-CE1 4.47Å; V719-F732 HydrophobicContact CG2-CE2 4.07Å; V719-F732 HydrophobicContact CG2-CZ 4.03Å | ||
| 720 | N | 48.5 | Very low | 61.6 | Low | 154 Ų | 154 | 90 Ų | 90 | 82% | 0.824 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -65 | -2.8 | 174.4 | -71.4 | -33.1 | 0 | 0 | 0 | 113.1 | ||
| 721 | S | 50 | Low | 63 | Low | 73 Ų | 73 | 79.1 Ų | 79.1 | 51% | 0.51 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -157.6 | 143.3 | 176.7 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | V719 | V719-S721 WeakPolarHBondContact CB-O 3.42Å; V719-S721 WeakPolarHBondContact CG1-O 3.39Å; V719-S721 PolarHBondContact O-N 3.24Å |
| 722 | V | 53.8 | Low | 64.4 | Low | 131 Ų | 131 | 78.6 Ų | 78.6 | 79% | 0.794 | 42% | 0.424 | S | S | * | . | trans | -55.9 | 127 | 169.1 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | A724 | V722-A724 PolarHBondContact O-N 3.29Š| ||
| 723 | P | 58.8 | Low | 66 | Low | 39 Ų | 39 | 76.5 Ų | 76.5 | 25% | 0.253 | 41% | 0.408 | S | S | . | . | trans | -58.7 | 127.4 | 178.7 | 18.6 | -27.7 | 0 | 0 | 0 | 109.8 | S725 D728 Q729 | P723-S725 VanDerWaalsContact C-N 3.35Å; P723-D728 HydrophobicContact CB-CB 3.96Å; P723-Q729 HydrophobicContact CB-CG 3.6Å; P723-Q729 HydrophobicContact CG-CG 3.35Å | ||
| 724 | A | 66.4 | Low | 68.1 | Low | 92 Ų | 92 | 67.1 Ų | 67.1 | 76% | 0.76 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -74.8 | -26.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V722 D728 | V722-A724 PolarHBondContact O-N 3.29Å; A724-D728 PolarHBondContact N-OD2 2.99Å |
| 725 | S | 83.7 | Confident | 70.3 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -134.7 | 159.4 | -179.4 | 70.8 | 0 | 0 | 0 | 0 | 112.7 | P723 M727 D728 Q729 | P723-S725 VanDerWaalsContact C-N 3.35Å; S725-M727 PolarHBondContact O-N 3.36Å; S725-D728 PolarHBondContact N-OD2 2.94Å; S725-D728 WeakPolarHBondContact O-CB 3.31Å; S725-D728 PolarHBondContact O-N 3.24Å; S725-D728 VanDerWaalsContact O-N 3.07Å; S725-D728 PolarHBondContact OG-N 3.41Å; S725-D728 PolarHBondContact OG-OD1 3.43Å; S725-D728 PolarHBondContact OG-OD2 3.19Å; S725-Q729 PolarHBondContact O-N 2.92Å |
| 726 | D | 88.2 | Confident | 72.2 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.8 | -33.9 | 175.4 | -62.4 | -10.6 | 0 | 0 | 0 | 111.6 | A696 R700 Q729 L730 | A696-D726 HydrophobicContact CB-CB 4.13Å; R700-D726 VanDerWaalsContact CD-OD1 3.31Å; R700-D726 WeakPolarHBondContact CD-OD1 3.46Å; R700-D726 IonicContact CZ-OD2 3.33Å; R700-D726 IonicContact NE-OD2 3.68Å; R700-D726 IonicContact NH1-OD1 2.59Å; R700-D726 IonicContact NH1-OD2 2.78Å; R700-D726 PolarHBondContact NH1-OD2 3.21Å; D726-Q729 WeakPolarHBondContact O-CB 3.43Å; D726-Q729 PolarHBondContact O-N 3.19Å; D726-L730 PolarHBondContact O-N 3.4Å; D726-L730 VanDerWaalsContact O-N 3.08Å |
| 727 | M | 88.2 | Confident | 74.5 | Confident | 34 Ų | 34 | 50 Ų | 50 | 17% | 0.167 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 174.4 | -74.4 | -67 | -71.8 | 0 | 0 | 111.4 | M692 A696 S725 Q729 L730 F731 I768 | M692-M727 HydrophobicContact CG-CE 3.64Å; M692-M727 HydrophobicContact CG-SD 4.04Å; A696-M727 HydrophobicContact CB-CG 4.21Å; A696-M727 HydrophobicContact CB-SD 3.64Å; S725-M727 PolarHBondContact O-N 3.36Å; M727-Q729 VanDerWaalsContact C-N 3.27Å; M727-Q729 PolarHBondContact O-N 3.4Å; M727-L730 PolarHBondContact O-N 2.66Å; M727-F731 HydrophobicContact CE-CD2 4.36Å; M727-F731 HydrophobicContact CE-CE2 3.62Å; M727-F731 VanDerWaalsContact O-CD2 3.26Å; M727-F731 WeakPolarHBondContact O-CD2 3.38Å; M727-F731 PolarHBondContact O-N 2.88Å; M727-I768 HydrophobicContact CE-CG2 3.67Å |
| 728 | D | 87.1 | Confident | 76.8 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -39 | 178.5 | -56 | -31.3 | 0 | 0 | 0 | 111.2 | P723 A724 S725 F732 T770 | P723-D728 HydrophobicContact CB-CB 3.96Å; A724-D728 PolarHBondContact N-OD2 2.99Å; S725-D728 PolarHBondContact N-OD2 2.94Å; S725-D728 WeakPolarHBondContact O-CB 3.31Å; S725-D728 PolarHBondContact O-N 3.24Å; S725-D728 VanDerWaalsContact O-N 3.07Å; S725-D728 PolarHBondContact OG-N 3.41Å; S725-D728 PolarHBondContact OG-OD1 3.43Å; S725-D728 PolarHBondContact OG-OD2 3.19Å; D728-F732 WeakPolarHBondContact O-CB 3.2Å; D728-F732 PolarHBondContact O-N 3.44Å; D728-T770 WeakPolarHBondContact OD1-CB 3.46Å; D728-T770 PolarHBondContact OD1-OG1 2.77Å |
| 729 | Q | 87.4 | Confident | 79 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 19% | 0.192 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | 175.6 | -66.2 | -175.5 | 17.9 | 0 | 0 | 111.7 | H699 P723 S725 D726 M727 F732 N733 | H699-Q729 PolarHBondContact NE2-O 3.03Å; P723-Q729 HydrophobicContact CB-CG 3.6Å; P723-Q729 HydrophobicContact CG-CG 3.35Å; S725-Q729 PolarHBondContact O-N 2.92Å; D726-Q729 WeakPolarHBondContact O-CB 3.43Å; D726-Q729 PolarHBondContact O-N 3.19Å; M727-Q729 VanDerWaalsContact C-N 3.27Å; M727-Q729 PolarHBondContact O-N 3.4Å; Q729-F732 WeakPolarHBondContact O-CB 3.48Å; Q729-F732 PolarHBondContact O-N 2.94Å; Q729-N733 PolarHBondContact O-N 3.47Å |
| 730 | L | 91.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 178.1 | 180 | 68.6 | 0 | 0 | 0 | 111.5 | F660 M692 L695 A696 H699 D726 M727 F732 N733 C734 | F660-L730 HydrophobicContact CD2-CD2 3.95Å; F660-L730 HydrophobicContact CD2-CG 4.2Å; F660-L730 HydrophobicContact CE2-CD2 4.49Å; M692-L730 HydrophobicContact SD-CD2 4.11Å; L695-L730 HydrophobicContact CB-CD2 4.45Å; L695-L730 HydrophobicContact CD2-CD2 4.22Å; L695-L730 HydrophobicContact CG-CD1 4.24Å; L695-L730 HydrophobicContact CG-CD2 4.13Å; A696-L730 HydrophobicContact CB-CB 4.12Å; A696-L730 HydrophobicContact CB-CD2 3.97Å; H699-L730 HydrophobicContact CB-CD1 3.79Å; H699-L730 VanDerWaalsContact CD2-CA 3.48Å; H699-L730 WeakPolarHBondContact CD2-CA 3.41Å; D726-L730 PolarHBondContact O-N 3.4Å; D726-L730 VanDerWaalsContact O-N 3.08Å; M727-L730 PolarHBondContact O-N 2.66Å; L730-F732 PolarHBondContact O-N 3.39Å; L730-N733 PolarHBondContact O-N 3.38Å; L730-C734 WeakPolarHBondContact O-CB 3.28Å; L730-C734 PolarHBondContact O-N 3.15Å; L730-C734 PolarHBondContact O-SG 3.32Å |
| 731 | F | 90.6 | Very high | 83.1 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 178.3 | -88.8 | -107.1 | 0 | 0 | 0 | 111.2 | F660 M727 N733 C734 M735 I768 A769 A773 | F660-F731 HydrophobicContact CE2-CD1 4.46Å; F660-F731 AromaticContact CE2-CD2 3.99Å; F660-F731 HydrophobicContact CE2-CD2 3.99Å; F660-F731 HydrophobicContact CE2-CE1 4.23Å; F660-F731 AromaticContact CE2-CE2 3.72Å; F660-F731 HydrophobicContact CE2-CE2 3.72Å; F660-F731 HydrophobicContact CE2-CG 4.37Å; F660-F731 AromaticContact CE2-CZ 3.86Å; F660-F731 HydrophobicContact CE2-CZ 3.86Å; F660-F731 HydrophobicContact CZ-CD1 4.1Å; F660-F731 HydrophobicContact CZ-CD2 4.4Å; F660-F731 AromaticContact CZ-CE1 3.94Å; F660-F731 HydrophobicContact CZ-CE1 3.94Å; F660-F731 HydrophobicContact CZ-CE2 4.26Å; F660-F731 HydrophobicContact CZ-CG 4.34Å; F660-F731 HydrophobicContact CZ-CZ 4.04Å; M727-F731 HydrophobicContact CE-CD2 4.36Å; M727-F731 HydrophobicContact CE-CE2 3.62Å; M727-F731 VanDerWaalsContact O-CD2 3.26Å; M727-F731 WeakPolarHBondContact O-CD2 3.38Å; M727-F731 PolarHBondContact O-N 2.88Å; F731-N733 PolarHBondContact O-N 3.44Å; F731-C734 PolarHBondContact O-N 3.5Å; F731-M735 HydrophobicContact CB-CG 4.27Å; F731-M735 HydrophobicContact CD1-CG 4.07Å; F731-M735 HydrophobicContact CD1-SD 4.17Å; F731-M735 WeakPolarHBondContact O-CB 2.89Å; F731-M735 WeakPolarHBondContact O-CG 3.34Å; F731-M735 PolarHBondContact O-N 3.02Å; F731-I768 HydrophobicContact CE2-CG2 4.25Å; F731-I768 HydrophobicContact CZ-CB 4.23Å; F731-I768 HydrophobicContact CZ-CG2 3.95Å; F731-A769 HydrophobicContact CD1-CB 4.11Å; F731-A769 HydrophobicContact CE1-CB 3.68Å; F731-A769 HydrophobicContact CZ-CB 4.4Å; F731-A773 HydrophobicContact CB-CB 3.74Å; F731-A773 HydrophobicContact CD1-CB 4.26Å; F731-A773 HydrophobicContact CG-CB 4.09Å |
| 732 | F | 86.5 | Confident | 85 | Confident | 27 Ų | 27 | 35.1 Ų | 35.1 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53 | -43 | 178.4 | 178.1 | -91.5 | 0 | 0 | 0 | 112.3 | F717 V719 D728 Q729 L730 P736 F776 | F717-F732 HydrophobicContact CB-CE1 3.44Å; F717-F732 VanDerWaalsContact CB-CE1 3.44Å; F717-F732 HydrophobicContact CB-CZ 3.35Å; F717-F732 AromaticContact CD1-CE1 3.62Å; F717-F732 HydrophobicContact CD1-CE1 3.62Å; F717-F732 HydrophobicContact CD1-CE2 4.5Å; F717-F732 AromaticContact CD1-CZ 3.38Å; F717-F732 HydrophobicContact CD1-CZ 3.38Å; F717-F732 AromaticContact CD2-CE1 3.68Å; F717-F732 HydrophobicContact CD2-CE1 3.68Å; F717-F732 HydrophobicContact CD2-CZ 4.25Å; F717-F732 HydrophobicContact CE1-CE1 4.26Å; F717-F732 HydrophobicContact CE1-CZ 4.23Å; F717-F732 HydrophobicContact CE2-CE1 4.29Å; F717-F732 AromaticContact CG-CE1 3.3Å; F717-F732 HydrophobicContact CG-CE1 3.3Å; F717-F732 AromaticContact CG-CZ 3.4Å; F717-F732 HydrophobicContact CG-CZ 3.4Å; F717-F732 VanDerWaalsContact CG-CZ 3.4Å; V719-F732 HydrophobicContact CG2-CE1 4.47Å; V719-F732 HydrophobicContact CG2-CE2 4.07Å; V719-F732 HydrophobicContact CG2-CZ 4.03Å; D728-F732 WeakPolarHBondContact O-CB 3.2Å; D728-F732 PolarHBondContact O-N 3.44Å; Q729-F732 WeakPolarHBondContact O-CB 3.48Å; Q729-F732 PolarHBondContact O-N 2.94Å; L730-F732 PolarHBondContact O-N 3.39Å; F732-P736 WeakPolarHBondContact O-CD 3.48Å; F732-F776 HydrophobicContact CD2-CB 3.66Å; F732-F776 AromaticContact CD2-CD1 3.92Å; F732-F776 HydrophobicContact CD2-CD1 3.92Å; F732-F776 AromaticContact CD2-CD2 3.48Å; F732-F776 HydrophobicContact CD2-CD2 3.48Å; F732-F776 VanDerWaalsContact CD2-CD2 3.48Å; F732-F776 HydrophobicContact CD2-CE1 4.46Å; F732-F776 HydrophobicContact CD2-CE2 4.05Å; F732-F776 AromaticContact CD2-CG 3.41Å; F732-F776 HydrophobicContact CD2-CG 3.41Å; F732-F776 VanDerWaalsContact CD2-CG 3.41Å; F732-F776 HydrophobicContact CE2-CB 3.61Å; F732-F776 AromaticContact CE2-CD2 3.33Å; F732-F776 HydrophobicContact CE2-CD2 3.33Å; F732-F776 HydrophobicContact CE2-CE2 4.11Å; F732-F776 AromaticContact CE2-CG 3.59Å; F732-F776 HydrophobicContact CE2-CG 3.59Å; F732-F776 HydrophobicContact CG-CD2 4.48Å; F732-F776 HydrophobicContact CZ-CD2 4.23Å |
| 733 | N | 87 | Confident | 86.8 | Confident | 22 Ų | 22 | 30.1 Ų | 30.1 | 12% | 0.118 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -79.5 | -35.8 | -179.9 | -177.2 | 76.1 | 0 | 0 | 0 | 113.8 | D653 H699 Q729 L730 F731 | D653-N733 PolarHBondContact OD1-ND2 3Å; D653-N733 PolarHBondContact OD2-ND2 3.49Å; D653-N733 PolarHBondContact OD2-OD1 3.32Å; H699-N733 PolarHBondContact CE1-ND2 2.75Å; Q729-N733 PolarHBondContact O-N 3.47Å; L730-N733 PolarHBondContact O-N 3.38Å; F731-N733 PolarHBondContact O-N 3.44Å |
| 734 | C | 92.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -89 | -28.2 | -173.6 | -58 | 0 | 0 | 0 | 0 | 113.8 | F660 L730 F731 K737 L738 | F660-C734 HydrophobicContact CB-CB 4.36Å; F660-C734 HydrophobicContact CD1-CB 3.51Å; F660-C734 HydrophobicContact CD2-CB 4.46Å; F660-C734 HydrophobicContact CE1-CB 3.78Å; F660-C734 HydrophobicContact CG-CB 3.88Å; F660-C734 HydrophobicContact CZ-CB 4.38Å; L730-C734 WeakPolarHBondContact O-CB 3.28Å; L730-C734 PolarHBondContact O-N 3.15Å; L730-C734 PolarHBondContact O-SG 3.32Å; F731-C734 PolarHBondContact O-N 3.5Å; C734-K737 PolarHBondContact O-N 2.99Å; C734-L738 PolarHBondContact O-N 3.27Å |
| 735 | M | 91 | Very high | 89 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | -175.4 | -82.2 | -63.4 | -64.2 | 0 | 0 | 114.7 | F731 K737 L738 I739 C765 L774 F776 V795 | F731-M735 HydrophobicContact CB-CG 4.27Å; F731-M735 HydrophobicContact CD1-CG 4.07Å; F731-M735 HydrophobicContact CD1-SD 4.17Å; F731-M735 WeakPolarHBondContact O-CB 2.89Å; F731-M735 WeakPolarHBondContact O-CG 3.34Å; F731-M735 PolarHBondContact O-N 3.02Å; M735-K737 VanDerWaalsContact C-N 3.3Å; M735-K737 PolarHBondContact O-N 2.94Å; M735-L738 PolarHBondContact O-N 3.4Å; M735-L738 HydrophobicContact SD-CD2 3.97Å; M735-I739 HydrophobicContact CE-CD1 4.13Å; M735-I739 HydrophobicContact CE-CG1 4.31Å; M735-I739 WeakPolarHBondContact O-CB 3.48Å; M735-I739 VanDerWaalsContact O-CG1 3.28Å; M735-I739 WeakPolarHBondContact O-CG1 3.25Å; M735-I739 PolarHBondContact O-N 3.46Å; M735-C765 PolarHBondContact SD-SG 2.95Å; M735-L774 HydrophobicContact CE-CD2 3.83Å; M735-F776 HydrophobicContact CB-CE1 4.03Å; M735-F776 HydrophobicContact CB-CZ 3.71Å; M735-F776 HydrophobicContact CG-CE1 4.39Å; M735-V795 HydrophobicContact CE-CG2 4.06Å |
| 736 | P | 89.4 | Confident | 89.1 | Confident | 26 Ų | 26 | 27.4 Ų | 27.4 | 17% | 0.169 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.3 | -39.7 | 178 | -25.6 | 36.3 | 0 | 0 | 0 | 112.7 | F732 I739 Y740 F776 F778 | F732-P736 WeakPolarHBondContact O-CD 3.48Å; P736-I739 PolarHBondContact O-N 3.37Å; P736-Y740 PolarHBondContact O-N 3.32Å; P736-F776 HydrophobicContact CG-CE2 4.05Å; P736-F776 HydrophobicContact CG-CZ 4.21Å; P736-F778 HydrophobicContact CB-CD2 3.93Å; P736-F778 HydrophobicContact CB-CE2 4.2Å; P736-F778 HydrophobicContact CB-CG 4.13Å; P736-F778 HydrophobicContact CG-CB 4Å; P736-F778 HydrophobicContact CG-CD1 4.07Å; P736-F778 HydrophobicContact CG-CD2 4.18Å; P736-F778 HydrophobicContact CG-CG 3.84Å |
| 737 | K | 89 | Confident | 88.8 | Confident | 61 Ų | 61 | 32.9 Ų | 32.9 | 27% | 0.265 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -70.2 | -41.9 | 177.2 | -61.3 | 178.8 | -169.7 | 170.6 | 0 | 111.5 | D653 S657 C734 M735 I739 Y740 R741 | D653-K737 PolarHBondContact O-NZ 3.3Å; D653-K737 IonicContact OD2-NZ 2.69Å; D653-K737 PolarHBondContact OD2-NZ 2.86Å; S657-K737 WeakPolarHBondContact OG-CD 3.37Å; S657-K737 PolarHBondContact OG-NZ 2.9Å; C734-K737 PolarHBondContact O-N 2.99Å; M735-K737 VanDerWaalsContact C-N 3.3Å; M735-K737 PolarHBondContact O-N 2.94Å; K737-I739 VanDerWaalsContact C-N 3.32Å; K737-I739 PolarHBondContact O-N 3.13Å; K737-Y740 WeakPolarHBondContact O-CB 3.49Å; K737-Y740 PolarHBondContact O-N 2.84Å; K737-R741 PolarHBondContact O-N 3.37Å |
| 738 | L | 92.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 174.4 | 175.1 | 62.6 | 0 | 0 | 0 | 111 | F660 E661 L664 C734 M735 Y740 R741 L742 I761 C765 | F660-L738 HydrophobicContact CE1-CD2 3.98Å; E661-L738 HydrophobicContact CG-CD1 4.24Å; L664-L738 HydrophobicContact CD1-CD2 3.84Å; C734-L738 PolarHBondContact O-N 3.27Å; M735-L738 PolarHBondContact O-N 3.4Å; M735-L738 HydrophobicContact SD-CD2 3.97Å; L738-Y740 VanDerWaalsContact C-N 3.35Å; L738-Y740 PolarHBondContact O-N 3.14Å; L738-R741 PolarHBondContact O-N 3.2Å; L738-L742 HydrophobicContact CD1-CD1 4.08Å; L738-L742 HydrophobicContact CD1-CG 4.03Å; L738-L742 HydrophobicContact CG-CD1 3.96Å; L738-L742 HydrophobicContact CG-CG 4.33Å; L738-L742 WeakPolarHBondContact O-CB 3.5Å; L738-L742 VanDerWaalsContact O-CG 3.23Å; L738-L742 WeakPolarHBondContact O-CG 3.31Å; L738-L742 PolarHBondContact O-N 3.38Å; L738-I761 HydrophobicContact CD1-CG2 3.59Å; L738-I761 HydrophobicContact CD2-CG2 4.42Å; L738-C765 HydrophobicContact CD2-CB 4.26Å |
| 739 | I | 92.2 | Very high | 87.9 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.4 | -72 | 164.9 | 0 | 0 | 0 | 110.8 | M735 P736 K737 L742 N743 F778 A794 L798 | M735-I739 HydrophobicContact CE-CD1 4.13Å; M735-I739 HydrophobicContact CE-CG1 4.31Å; M735-I739 WeakPolarHBondContact O-CB 3.48Å; M735-I739 VanDerWaalsContact O-CG1 3.28Å; M735-I739 WeakPolarHBondContact O-CG1 3.25Å; M735-I739 PolarHBondContact O-N 3.46Å; P736-I739 PolarHBondContact O-N 3.37Å; K737-I739 VanDerWaalsContact C-N 3.32Å; K737-I739 PolarHBondContact O-N 3.13Å; I739-L742 PolarHBondContact O-N 3.18Å; I739-N743 WeakPolarHBondContact O-CB 3.45Å; I739-N743 PolarHBondContact O-N 3.29Å; I739-N743 PolarHBondContact O-ND2 3.27Å; I739-F778 HydrophobicContact CD1-CE1 3.91Å; I739-F778 HydrophobicContact CD1-CZ 3.82Å; I739-A794 HydrophobicContact CD1-CB 3.95Å; I739-A794 HydrophobicContact CG2-CB 4.15Å; I739-L798 HydrophobicContact CB-CD1 4.45Å; I739-L798 HydrophobicContact CG1-CD1 4.12Å; I739-L798 HydrophobicContact CG2-CD1 4.21Å |
| 740 | Y | 89.5 | Confident | 87.3 | Confident | 115 Ų | 115 | 46 Ų | 46 | 45% | 0.451 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.4 | -50 | 175.1 | -178.7 | -96.1 | 0 | 0 | 0 | 111.5 | P736 K737 L738 L742 N743 E744 | P736-Y740 PolarHBondContact O-N 3.32Å; K737-Y740 WeakPolarHBondContact O-CB 3.49Å; K737-Y740 PolarHBondContact O-N 2.84Å; L738-Y740 VanDerWaalsContact C-N 3.35Å; L738-Y740 PolarHBondContact O-N 3.14Å; Y740-L742 VanDerWaalsContact C-N 3.34Å; Y740-L742 PolarHBondContact O-N 2.9Å; Y740-N743 WeakPolarHBondContact O-CB 3.46Å; Y740-N743 PolarHBondContact O-N 3.28Å; Y740-N743 VanDerWaalsContact O-N 3.09Å; Y740-E744 HydrophobicContact CD1-CG 4.36Å; Y740-E744 HydrophobicContact CE1-CG 3.98Å; Y740-E744 WeakPolarHBondContact CE1-OE1 3.22Å; Y740-E744 PolarHBondContact O-N 3.4Å; Y740-E744 PolarHBondContact OH-OE1 2.91Å |
| 741 | R | 89.5 | Confident | 87 | Confident | 39 Ų | 39 | 46.5 Ų | 46.5 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 175.8 | 177.6 | -178.4 | 170.9 | 158.1 | 6 | 112.6 | S580 N582 E661 K737 L738 N743 E744 D745 | S580-R741 VanDerWaalsContact O-CZ 3.24Å; S580-R741 PolarHBondContact O-NH1 2.9Å; S580-R741 PolarHBondContact O-NH2 3.31Å; N582-R741 PolarHBondContact OD1-NH2 3.29Å; E661-R741 WeakPolarHBondContact OE2-CD 3.49Å; E661-R741 IonicContact OE2-CZ 2.63Å; E661-R741 IonicContact OE2-NE 2.99Å; E661-R741 IonicContact OE2-NH1 3.19Å; E661-R741 PolarHBondContact OE2-NH1 2.85Å; K737-R741 PolarHBondContact O-N 3.37Å; L738-R741 PolarHBondContact O-N 3.2Å; R741-N743 VanDerWaalsContact C-N 3.31Å; R741-E744 PolarHBondContact O-N 3.44Å; R741-D745 PolarHBondContact O-N 3.09Å; R741-D745 VanDerWaalsContact O-N 3.11Å |
| 742 | L | 91.6 | Very high | 86.9 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.6 | -32.4 | 177.4 | -69.9 | 175.4 | 0 | 0 | 0 | 112 | L738 I739 Y740 L746 W752 G758 L762 L798 | L738-L742 HydrophobicContact CD1-CD1 4.08Å; L738-L742 HydrophobicContact CD1-CG 4.03Å; L738-L742 HydrophobicContact CG-CD1 3.96Å; L738-L742 HydrophobicContact CG-CG 4.33Å; L738-L742 WeakPolarHBondContact O-CB 3.5Å; L738-L742 VanDerWaalsContact O-CG 3.23Å; L738-L742 WeakPolarHBondContact O-CG 3.31Å; L738-L742 PolarHBondContact O-N 3.38Å; I739-L742 PolarHBondContact O-N 3.18Å; Y740-L742 VanDerWaalsContact C-N 3.34Å; Y740-L742 PolarHBondContact O-N 2.9Å; L742-L746 WeakPolarHBondContact O-CG 3.47Å; L742-L746 PolarHBondContact O-N 2.91Å; L742-W752 HydrophobicContact CB-CZ2 4.26Å; L742-W752 HydrophobicContact CD2-CZ2 4.03Å; L742-G758 VanDerWaalsContact CD2-CA 3.41Å; L742-G758 VanDerWaalsContact CD2-O 3.32Å; L742-G758 WeakPolarHBondContact CD2-O 3.42Å; L742-L762 HydrophobicContact CD1-CB 4.13Å; L742-L762 HydrophobicContact CD1-CD1 4.15Å; L742-L798 HydrophobicContact CB-CD1 4.09Å; L742-L798 HydrophobicContact CB-CD2 3.97Å; L742-L798 HydrophobicContact CD1-CD1 3.99Å |
| 743 | N | 90.4 | Very high | 86.8 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -45.8 | 172.1 | -77.8 | -31 | 0 | 0 | 0 | 111.6 | I739 Y740 R741 D745 L746 E747 L798 R801 | I739-N743 WeakPolarHBondContact O-CB 3.45Å; I739-N743 PolarHBondContact O-N 3.29Å; I739-N743 PolarHBondContact O-ND2 3.27Å; Y740-N743 WeakPolarHBondContact O-CB 3.46Å; Y740-N743 PolarHBondContact O-N 3.28Å; Y740-N743 VanDerWaalsContact O-N 3.09Å; R741-N743 VanDerWaalsContact C-N 3.31Å; N743-D745 VanDerWaalsContact C-N 3.26Å; N743-D745 PolarHBondContact O-N 2.85Å; N743-L746 CarbonylContact O-C 3.58Å; N743-L746 WeakPolarHBondContact O-CA 3.36Å; N743-L746 WeakPolarHBondContact O-CB 3.31Å; N743-L746 PolarHBondContact O-N 3.32Å; N743-E747 WeakPolarHBondContact O-CG 3.34Å; N743-E747 PolarHBondContact O-N 3.25Å; N743-L798 WeakPolarHBondContact OD1-CD2 3.26Å; N743-R801 PolarHBondContact OD1-NH2 2.87Å |
| 744 | E | 87.3 | Confident | 86.5 | Confident | 74 Ų | 74 | 48 Ų | 48 | 35% | 0.346 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.1 | -38.2 | 176 | -70.2 | -169 | 140.7 | 0 | 0 | 112.2 | Y740 R741 L746 E747 K748 | Y740-E744 HydrophobicContact CD1-CG 4.36Å; Y740-E744 HydrophobicContact CE1-CG 3.98Å; Y740-E744 WeakPolarHBondContact CE1-OE1 3.22Å; Y740-E744 PolarHBondContact O-N 3.4Å; Y740-E744 PolarHBondContact OH-OE1 2.91Å; R741-E744 PolarHBondContact O-N 3.44Å; E744-L746 VanDerWaalsContact C-N 3.28Å; E744-L746 PolarHBondContact O-N 3.24Å; E744-E747 PolarHBondContact O-N 2.91Å; E744-E747 VanDerWaalsContact O-N 3.16Å; E744-K748 WeakPolarHBondContact O-CG 3.46Å; E744-K748 PolarHBondContact O-N 3.21Å; E744-K748 VanDerWaalsContact O-N 3.09Å |
| 745 | D | 84.4 | Confident | 85.9 | Confident | 31 Ų | 31 | 59 Ų | 59 | 17% | 0.166 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -37 | 174 | -166.3 | 51.5 | 0 | 0 | 0 | 111.9 | R741 N743 S749 W752 | R741-D745 PolarHBondContact O-N 3.09Å; R741-D745 VanDerWaalsContact O-N 3.11Å; N743-D745 VanDerWaalsContact C-N 3.26Å; N743-D745 PolarHBondContact O-N 2.85Å; D745-S749 PolarHBondContact O-N 3.04Å; D745-S749 PolarHBondContact O-OG 2.81Å; D745-W752 PolarHBondContact OD2-NE1 3.37Å |
| 746 | L | 85 | Confident | 85.7 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -82.7 | -9.6 | 174.1 | -69.4 | 177.6 | 0 | 0 | 0 | 114.6 | L742 N743 E744 S749 W752 L798 | L742-L746 WeakPolarHBondContact O-CG 3.47Å; L742-L746 PolarHBondContact O-N 2.91Å; N743-L746 CarbonylContact O-C 3.58Å; N743-L746 WeakPolarHBondContact O-CA 3.36Å; N743-L746 WeakPolarHBondContact O-CB 3.31Å; N743-L746 PolarHBondContact O-N 3.32Å; E744-L746 VanDerWaalsContact C-N 3.28Å; E744-L746 PolarHBondContact O-N 3.24Å; L746-S749 CarbonylContact C-O 3.58Å; L746-S749 WeakPolarHBondContact CA-O 3.03Å; L746-W752 HydrophobicContact CD1-CH2 4.17Å; L746-W752 HydrophobicContact CD1-CZ2 3.88Å; L746-W752 HydrophobicContact CD2-CD2 3.76Å; L746-W752 HydrophobicContact CD2-CE3 4.49Å; L746-W752 HydrophobicContact CD2-CG 3.8Å; L746-W752 HydrophobicContact CD2-CZ2 4.15Å; L746-W752 HydrophobicContact CG-CD2 4.42Å; L746-W752 HydrophobicContact CG-CZ2 3.89Å; L746-L798 HydrophobicContact CD1-CD2 3.61Å |
| 747 | E | 82.6 | Confident | 85.5 | Confident | 157 Ų | 157 | 60 Ų | 60 | 73% | 0.734 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -86.6 | -34.4 | 170.6 | -75.2 | -178.6 | 176.6 | 0 | 0 | 110.4 | N743 E744 S749 | N743-E747 WeakPolarHBondContact O-CG 3.34Å; N743-E747 PolarHBondContact O-N 3.25Å; E744-E747 PolarHBondContact O-N 2.91Å; E744-E747 VanDerWaalsContact O-N 3.16Å; E747-S749 PolarHBondContact O-N 3.26Å |
| 748 | K | 81.6 | Confident | 85.5 | Confident | 170 Ų | 170 | 57.2 Ų | 57.2 | 74% | 0.739 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.8 | -24.3 | 171.7 | -67.7 | 172.8 | -172.6 | 175.2 | 0 | 112.7 | E744 | E744-K748 WeakPolarHBondContact O-CG 3.46Å; E744-K748 PolarHBondContact O-N 3.21Å; E744-K748 VanDerWaalsContact O-N 3.09Å |
| 749 | S | 74.4 | Confident | 85.3 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -138.5 | 134.6 | -177.5 | 63.3 | 0 | 0 | 0 | 0 | 111.2 | D745 L746 E747 S751 | D745-S749 PolarHBondContact O-N 3.04Å; D745-S749 PolarHBondContact O-OG 2.81Å; L746-S749 CarbonylContact C-O 3.58Å; L746-S749 WeakPolarHBondContact CA-O 3.03Å; E747-S749 PolarHBondContact O-N 3.26Å; S749-S751 PolarHBondContact O-N 3.27Å; S749-S751 PolarHBondContact OG-O 3.33Å |
| 750 | I | 76.4 | Confident | 85.1 | Confident | 148 Ų | 148 | 58 Ų | 58 | 76% | 0.759 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -53.3 | -30.4 | -179.6 | -59.1 | 170.5 | 0 | 0 | 0 | 112 | ||
| 751 | S | 83.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -157.4 | 170.4 | 172 | 70.4 | 0 | 0 | 0 | 0 | 110.5 | S749 R804 | S749-S751 PolarHBondContact O-N 3.27Å; S749-S751 PolarHBondContact OG-O 3.33Å; S751-R804 VanDerWaalsContact CB-NE 3.27Å; S751-R804 VanDerWaalsContact OG-CZ 3.31Å; S751-R804 PolarHBondContact OG-NE 2.66Å; S751-R804 PolarHBondContact OG-NH2 3.47Å; S751-R804 VanDerWaalsContact OG-NH2 3.16Å |
| 752 | W | 88 | Confident | 85.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | trans | -66.3 | 165.3 | 164.8 | -68.1 | -37.9 | 0 | 0 | 0 | 112.4 | L742 D745 L746 S756 L759 L762 L798 G802 L844 | L742-W752 HydrophobicContact CB-CZ2 4.26Å; L742-W752 HydrophobicContact CD2-CZ2 4.03Å; D745-W752 PolarHBondContact OD2-NE1 3.37Å; L746-W752 HydrophobicContact CD1-CH2 4.17Å; L746-W752 HydrophobicContact CD1-CZ2 3.88Å; L746-W752 HydrophobicContact CD2-CD2 3.76Å; L746-W752 HydrophobicContact CD2-CE3 4.49Å; L746-W752 HydrophobicContact CD2-CG 3.8Å; L746-W752 HydrophobicContact CD2-CZ2 4.15Å; L746-W752 HydrophobicContact CG-CD2 4.42Å; L746-W752 HydrophobicContact CG-CZ2 3.89Å; W752-S756 WeakPolarHBondContact CA-OG 3.43Å; W752-L759 HydrophobicContact CB-CB 4.34Å; W752-L759 HydrophobicContact CD2-CB 3.94Å; W752-L759 HydrophobicContact CE3-CB 3.82Å; W752-L759 HydrophobicContact CE3-CD1 3.87Å; W752-L759 HydrophobicContact CE3-CG 4.4Å; W752-L759 HydrophobicContact CG-CB 4.18Å; W752-L759 HydrophobicContact CZ3-CB 4.5Å; W752-L759 HydrophobicContact CZ3-CD1 4.15Å; W752-L762 HydrophobicContact CH2-CD2 3.71Å; W752-L762 HydrophobicContact CZ3-CD2 3.79Å; W752-L798 HydrophobicContact CH2-CB 4.37Å; W752-L798 HydrophobicContact CH2-CD2 4.45Å; W752-G802 PolarHBondContact N-O 3.39Å; W752-G802 VanDerWaalsContact N-O 3.17Å; W752-L844 HydrophobicContact CB-CD1 4.02Å; W752-L844 WeakPolarHBondContact O-CD2 3.26Å | ||
| 753 | N | 85.6 | Confident | 85.3 | Confident | 69 Ų | 69 | 52 Ų | 52 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | trans | -110.5 | 167.5 | 161 | 69 | 65 | 0 | 0 | 0 | 108.8 | R755 S756 L836 | N753-R755 PolarHBondContact O-N 2.88Å; N753-R755 VanDerWaalsContact OD1-C 3.3Å; N753-R755 WeakPolarHBondContact OD1-CA 3.43Å; N753-R755 PolarHBondContact OD1-N 2.97Å; N753-S756 PolarHBondContact N-OG 3.48Å; N753-S756 PolarHBondContact ND2-OG 2.87Å; N753-S756 VanDerWaalsContact O-CB 3.28Å; N753-S756 WeakPolarHBondContact O-CB 3.31Å; N753-S756 PolarHBondContact O-N 3.34Å; N753-S756 PolarHBondContact O-OG 3.37Å; N753-S756 PolarHBondContact OD1-N 3.33Å; N753-L836 HydrophobicContact CB-CD2 3.64Å | ||
| 754 | P | 80.7 | Confident | 85.3 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.2 | -175.8 | -23.9 | 33.2 | 0 | 0 | 0 | 115.6 | S840 E843 L844 | P754-S840 WeakPolarHBondContact CG-O 3.48Å; P754-E843 HydrophobicContact CB-CB 4.35Å; P754-E843 HydrophobicContact CB-CG 4.04Å; P754-E843 WeakPolarHBondContact CB-OE1 3.31Å; P754-E843 HydrophobicContact CG-CB 3.98Å; P754-E843 HydrophobicContact CG-CG 4.23Å; P754-L844 HydrophobicContact CG-CB 4.3Å |
| 755 | R | 80 | Confident | 85.5 | Confident | 231 Ų | 231 | 48.7 Ų | 48.7 | 87% | 0.872 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 7.6 | 177.5 | -61.8 | -177.7 | -180 | 161.9 | -0.2 | 112.9 | N753 I757 | N753-R755 PolarHBondContact O-N 2.88Å; N753-R755 VanDerWaalsContact OD1-C 3.3Å; N753-R755 WeakPolarHBondContact OD1-CA 3.43Å; N753-R755 PolarHBondContact OD1-N 2.97Å; R755-I757 PolarHBondContact O-N 3.02Å |
| 756 | S | 86.2 | Confident | 85.8 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | trans | -61.4 | 132.9 | 178.5 | -75.6 | 0 | 0 | 0 | 0 | 111 | W752 N753 G758 L759 A760 | W752-S756 WeakPolarHBondContact CA-OG 3.43Å; N753-S756 PolarHBondContact N-OG 3.48Å; N753-S756 PolarHBondContact ND2-OG 2.87Å; N753-S756 VanDerWaalsContact O-CB 3.28Å; N753-S756 WeakPolarHBondContact O-CB 3.31Å; N753-S756 PolarHBondContact O-N 3.34Å; N753-S756 PolarHBondContact O-OG 3.37Å; N753-S756 PolarHBondContact OD1-N 3.33Å; S756-G758 VanDerWaalsContact C-N 3.3Å; S756-G758 PolarHBondContact O-N 2.92Å; S756-L759 PolarHBondContact O-N 3.1Å; S756-A760 PolarHBondContact O-N 3.19Å | ||
| 757 | I | 84.3 | Confident | 85.8 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 17% | 0.169 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -40 | 178 | -62.4 | 144.7 | 0 | 0 | 0 | 110.1 | N582 I585 R755 L759 A760 I761 | N582-I757 HydrophobicContact CB-CD1 3.9Å; N582-I757 WeakPolarHBondContact O-CD1 3.32Å; I585-I757 HydrophobicContact CG2-CG2 3.87Å; R755-I757 PolarHBondContact O-N 3.02Å; I757-L759 PolarHBondContact O-N 3.23Å; I757-A760 WeakPolarHBondContact O-CB 3.39Å; I757-A760 PolarHBondContact O-N 3.49Å; I757-A760 VanDerWaalsContact O-N 3.14Å; I757-I761 HydrophobicContact CG2-CD1 3.65Å; I757-I761 HydrophobicContact CG2-CG1 4.15Å; I757-I761 WeakPolarHBondContact O-CB 3.44Å; I757-I761 VanDerWaalsContact O-CG1 3.31Å; I757-I761 WeakPolarHBondContact O-CG1 3.32Å; I757-I761 PolarHBondContact O-N 3.38Å |
| 758 | G | 89.1 | Confident | 86 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | L742 S756 A760 I761 L762 | L742-G758 VanDerWaalsContact CD2-CA 3.41Å; L742-G758 VanDerWaalsContact CD2-O 3.32Å; L742-G758 WeakPolarHBondContact CD2-O 3.42Å; S756-G758 VanDerWaalsContact C-N 3.3Å; S756-G758 PolarHBondContact O-N 2.92Å; G758-A760 PolarHBondContact O-N 2.93Å; G758-I761 PolarHBondContact O-N 2.77Å; G758-L762 WeakPolarHBondContact O-CB 3.42Å; G758-L762 PolarHBondContact O-N 2.93Å |
| 759 | L | 89.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.1 | 178.8 | 62.2 | 0 | 0 | 0 | 112.1 | W752 S756 I757 L762 S763 L844 R847 L851 | W752-L759 HydrophobicContact CB-CB 4.34Å; W752-L759 HydrophobicContact CD2-CB 3.94Å; W752-L759 HydrophobicContact CE3-CB 3.82Å; W752-L759 HydrophobicContact CE3-CD1 3.87Å; W752-L759 HydrophobicContact CE3-CG 4.4Å; W752-L759 HydrophobicContact CG-CB 4.18Å; W752-L759 HydrophobicContact CZ3-CB 4.5Å; W752-L759 HydrophobicContact CZ3-CD1 4.15Å; S756-L759 PolarHBondContact O-N 3.1Å; I757-L759 PolarHBondContact O-N 3.23Å; L759-L762 PolarHBondContact O-N 3.03Å; L759-S763 VanDerWaalsContact O-CB 3.25Å; L759-S763 WeakPolarHBondContact O-CB 3.38Å; L759-S763 PolarHBondContact O-N 3.03Å; L759-L844 HydrophobicContact CD2-CD1 3.6Å; L759-R847 HydrophobicContact CD2-CB 4.45Å; L759-L851 HydrophobicContact CD1-CD1 4.23Å |
| 760 | A | 88 | Confident | 86.2 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -49 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | A668 S756 I757 G758 L762 S763 R764 | A668-A760 HydrophobicContact CB-CB 3.65Å; A668-A760 WeakPolarHBondContact CB-O 3.45Å; S756-A760 PolarHBondContact O-N 3.19Å; I757-A760 WeakPolarHBondContact O-CB 3.39Å; I757-A760 PolarHBondContact O-N 3.49Å; I757-A760 VanDerWaalsContact O-N 3.14Å; G758-A760 PolarHBondContact O-N 2.93Å; A760-L762 PolarHBondContact O-N 3.12Å; A760-S763 WeakPolarHBondContact O-CB 3.22Å; A760-S763 PolarHBondContact O-N 3.17Å; A760-R764 PolarHBondContact O-N 3.2Å |
| 761 | I | 91.5 | Very high | 86.2 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.2 | -48.4 | 176.4 | -69.8 | 171.1 | 0 | 0 | 0 | 110.4 | L664 L738 I757 G758 S763 R764 C765 | L664-I761 HydrophobicContact CB-CG2 3.98Å; L664-I761 HydrophobicContact CD1-CG2 4.07Å; L738-I761 HydrophobicContact CD1-CG2 3.59Å; L738-I761 HydrophobicContact CD2-CG2 4.42Å; I757-I761 HydrophobicContact CG2-CD1 3.65Å; I757-I761 HydrophobicContact CG2-CG1 4.15Å; I757-I761 WeakPolarHBondContact O-CB 3.44Å; I757-I761 VanDerWaalsContact O-CG1 3.31Å; I757-I761 WeakPolarHBondContact O-CG1 3.32Å; I757-I761 PolarHBondContact O-N 3.38Å; G758-I761 PolarHBondContact O-N 2.77Å; I761-S763 VanDerWaalsContact C-N 3.34Å; I761-S763 PolarHBondContact O-N 2.89Å; I761-R764 PolarHBondContact O-N 2.82Å; I761-C765 VanDerWaalsContact O-CB 3.28Å; I761-C765 WeakPolarHBondContact O-CB 3.26Å; I761-C765 PolarHBondContact O-N 3.35Å |
| 762 | L | 92 | Very high | 85.9 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 177.4 | -179.5 | 63 | 0 | 0 | 0 | 111 | L742 W752 G758 L759 A760 R764 C765 L766 L798 L799 | L742-L762 HydrophobicContact CD1-CB 4.13Å; L742-L762 HydrophobicContact CD1-CD1 4.15Å; W752-L762 HydrophobicContact CH2-CD2 3.71Å; W752-L762 HydrophobicContact CZ3-CD2 3.79Å; G758-L762 WeakPolarHBondContact O-CB 3.42Å; G758-L762 PolarHBondContact O-N 2.93Å; L759-L762 PolarHBondContact O-N 3.03Å; A760-L762 PolarHBondContact O-N 3.12Å; L762-R764 VanDerWaalsContact C-N 3.35Å; L762-R764 PolarHBondContact O-N 3.48Å; L762-C765 WeakPolarHBondContact O-CB 3.5Å; L762-C765 PolarHBondContact O-N 2.67Å; L762-L766 HydrophobicContact CD1-CD1 4.23Å; L762-L766 HydrophobicContact CD1-CD2 4.4Å; L762-L766 HydrophobicContact CD1-CG 4.1Å; L762-L766 HydrophobicContact CG-CD1 4.22Å; L762-L766 HydrophobicContact CG-CG 4.4Å; L762-L766 WeakPolarHBondContact O-CG 3.44Å; L762-L766 PolarHBondContact O-N 3.33Å; L762-L798 HydrophobicContact CD2-CB 4.44Å; L762-L799 HydrophobicContact CD2-CD2 3.9Å; L762-L799 HydrophobicContact CD2-CG 4.37Å |
| 763 | S | 91.1 | Very high | 85.5 | Confident | 31 Ų | 31 | 34.8 Ų | 34.8 | 22% | 0.217 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -47.4 | 177 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | L759 A760 I761 L766 Q767 | L759-S763 VanDerWaalsContact O-CB 3.25Å; L759-S763 WeakPolarHBondContact O-CB 3.38Å; L759-S763 PolarHBondContact O-N 3.03Å; A760-S763 WeakPolarHBondContact O-CB 3.22Å; A760-S763 PolarHBondContact O-N 3.17Å; I761-S763 VanDerWaalsContact C-N 3.34Å; I761-S763 PolarHBondContact O-N 2.89Å; S763-L766 PolarHBondContact O-N 2.92Å; S763-Q767 VanDerWaalsContact O-CG 3.27Å; S763-Q767 WeakPolarHBondContact O-CG 3.5Å; S763-Q767 PolarHBondContact O-N 3.44Å; S763-Q767 VanDerWaalsContact O-N 3.12Å |
| 764 | R | 90 | Very high | 85.5 | Confident | 28 Ų | 28 | 31.6 Ų | 31.6 | 11% | 0.106 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.1 | -38.6 | 178.3 | -173.6 | 62.9 | -176.8 | 152.4 | 3.3 | 111.9 | L664 A668 D689 A760 I761 L762 L766 Q767 I768 | L664-R764 HydrophobicContact CD2-CB 4.43Å; L664-R764 HydrophobicContact CD2-CG 4.1Å; A668-R764 HydrophobicContact CB-CB 3.79Å; D689-R764 VanDerWaalsContact CG-NH2 3.29Å; D689-R764 IonicContact OD1-CZ 2.73Å; D689-R764 IonicContact OD1-NH2 3.96Å; D689-R764 PolarHBondContact OD1-NH2 2.81Å; D689-R764 IonicContact OD2-NH2 3.06Å; D689-R764 PolarHBondContact OD2-NH2 2.95Å; A760-R764 PolarHBondContact O-N 3.2Å; I761-R764 PolarHBondContact O-N 2.82Å; L762-R764 VanDerWaalsContact C-N 3.35Å; L762-R764 PolarHBondContact O-N 3.48Å; R764-L766 PolarHBondContact O-N 3.08Å; R764-Q767 WeakPolarHBondContact O-CB 3.36Å; R764-Q767 PolarHBondContact O-N 3.38Å; R764-I768 HydrophobicContact CG-CD1 4.04Å; R764-I768 WeakPolarHBondContact O-CG1 3.4Å; R764-I768 PolarHBondContact O-N 2.93Å; R764-I768 VanDerWaalsContact O-N 3.17Å |
| 765 | C | 91.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57 | -50.4 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 111 | L664 M735 L738 I761 L762 Q767 I768 A769 | L664-C765 HydrophobicContact CD1-CB 3.96Å; L664-C765 HydrophobicContact CD2-CB 4.17Å; M735-C765 PolarHBondContact SD-SG 2.95Å; L738-C765 HydrophobicContact CD2-CB 4.26Å; I761-C765 VanDerWaalsContact O-CB 3.28Å; I761-C765 WeakPolarHBondContact O-CB 3.26Å; I761-C765 PolarHBondContact O-N 3.35Å; L762-C765 WeakPolarHBondContact O-CB 3.5Å; L762-C765 PolarHBondContact O-N 2.67Å; C765-Q767 VanDerWaalsContact C-N 3.26Å; C765-Q767 PolarHBondContact O-N 3.15Å; C765-I768 PolarHBondContact O-N 3.38Å; C765-A769 WeakPolarHBondContact O-CB 3.48Å; C765-A769 PolarHBondContact O-N 3.44Å |
| 766 | L | 89.6 | Confident | 85.9 | Confident | 12 Ų | 12 | 23.3 Ų | 23.3 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.6 | -20 | 179.8 | -61.1 | -175.6 | 0 | 0 | 0 | 113.9 | L762 S763 R764 L774 V795 L851 L855 | L762-L766 HydrophobicContact CD1-CD1 4.23Å; L762-L766 HydrophobicContact CD1-CD2 4.4Å; L762-L766 HydrophobicContact CD1-CG 4.1Å; L762-L766 HydrophobicContact CG-CD1 4.22Å; L762-L766 HydrophobicContact CG-CG 4.4Å; L762-L766 WeakPolarHBondContact O-CG 3.44Å; L762-L766 PolarHBondContact O-N 3.33Å; S763-L766 PolarHBondContact O-N 2.92Å; R764-L766 PolarHBondContact O-N 3.08Å; L766-L774 HydrophobicContact CD2-CD1 3.77Å; L766-L774 HydrophobicContact CD2-CD2 4.36Å; L766-V795 HydrophobicContact CD1-CG1 4.15Å; L766-V795 HydrophobicContact CD2-CG1 3.95Å; L766-L851 HydrophobicContact CB-CD2 4.48Å; L766-L851 HydrophobicContact CD1-CB 4.24Å; L766-L851 HydrophobicContact CD1-CD2 4.34Å; L766-L855 HydrophobicContact CD1-CD2 4.45Å; L766-L855 HydrophobicContact CD2-CD2 4.11Å |
| 767 | Q | 86.4 | Confident | 85.8 | Confident | 105 Ų | 105 | 24.3 Ų | 24.3 | 49% | 0.491 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -76.2 | -34.3 | 172.6 | -74 | 171 | 6.4 | 0 | 0 | 112.9 | S763 R764 C765 | S763-Q767 VanDerWaalsContact O-CG 3.27Å; S763-Q767 WeakPolarHBondContact O-CG 3.5Å; S763-Q767 PolarHBondContact O-N 3.44Å; S763-Q767 VanDerWaalsContact O-N 3.12Å; R764-Q767 WeakPolarHBondContact O-CB 3.36Å; R764-Q767 PolarHBondContact O-N 3.38Å; C765-Q767 VanDerWaalsContact C-N 3.26Å; C765-Q767 PolarHBondContact O-N 3.15Å |
| 768 | I | 86 | Confident | 85.6 | Confident | 38 Ų | 38 | 23.4 Ų | 23.4 | 20% | 0.195 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -92.1 | -32.1 | -177.8 | -60 | 173.3 | 0 | 0 | 0 | 111.4 | L664 M727 F731 R764 C765 T770 | L664-I768 HydrophobicContact CD2-CD1 4.15Å; M727-I768 HydrophobicContact CE-CG2 3.67Å; F731-I768 HydrophobicContact CE2-CG2 4.25Å; F731-I768 HydrophobicContact CZ-CB 4.23Å; F731-I768 HydrophobicContact CZ-CG2 3.95Å; R764-I768 HydrophobicContact CG-CD1 4.04Å; R764-I768 WeakPolarHBondContact O-CG1 3.4Å; R764-I768 PolarHBondContact O-N 2.93Å; R764-I768 VanDerWaalsContact O-N 3.17Å; C765-I768 PolarHBondContact O-N 3.38Å; I768-T770 PolarHBondContact O-N 3.37Å |
| 769 | A | 83.9 | Confident | 84.9 | Confident | 16 Ų | 16 | 25.6 Ų | 25.6 | 13% | 0.132 | 14% | 0.144 | C | C | . | . | trans | -57.3 | 132 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112 | F731 C765 L774 | F731-A769 HydrophobicContact CD1-CB 4.11Å; F731-A769 HydrophobicContact CE1-CB 3.68Å; F731-A769 HydrophobicContact CZ-CB 4.4Å; C765-A769 WeakPolarHBondContact O-CB 3.48Å; C765-A769 PolarHBondContact O-N 3.44Å; A769-L774 HydrophobicContact CB-CD1 4.02Å; A769-L774 HydrophobicContact CB-CD2 4.31Å; A769-L774 HydrophobicContact CB-CG 4.05Å | ||
| 770 | T | 76.7 | Confident | 83.7 | Confident | 48 Ų | 48 | 26.2 Ų | 26.2 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | trans | -77.4 | 169.5 | 169.1 | 69.4 | 0 | 0 | 0 | 0 | 110.1 | D728 I768 A773 | D728-T770 WeakPolarHBondContact OD1-CB 3.46Å; D728-T770 PolarHBondContact OD1-OG1 2.77Å; I768-T770 PolarHBondContact O-N 3.37Å; T770-A773 PolarHBondContact O-N 2.84Å; T770-A773 WeakPolarHBondContact OG1-CB 3.31Å; T770-A773 PolarHBondContact OG1-N 2.89Å | ||
| 771 | G | 75.2 | Confident | 82.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -55.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A773 L774 L775 N858 | G771-A773 PolarHBondContact O-N 3.28Å; G771-L774 PolarHBondContact O-N 3.25Å; G771-L775 WeakPolarHBondContact O-CG 3.38Å; G771-N858 VanDerWaalsContact CA-CG 3.42Å; G771-N858 VanDerWaalsContact CA-ND2 3.25Å; G771-N858 WeakPolarHBondContact CA-ND2 3.19Å; G771-N858 VanDerWaalsContact CA-OD1 3.25Å; G771-N858 WeakPolarHBondContact CA-OD1 3.04Å; G771-N858 PolarHBondContact N-ND2 2.68Å |
| 772 | P | 78.5 | Confident | 80.3 | Confident | 57 Ų | 57 | 37.7 Ų | 37.7 | 37% | 0.37 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -57.4 | -34.5 | 179.7 | -26.2 | 35.8 | 0 | 0 | 0 | 113.8 | L774 L775 | P772-L774 PolarHBondContact O-N 3.03Å; P772-L774 VanDerWaalsContact O-N 3.14Å; P772-L775 PolarHBondContact O-N 2.93Å; P772-L775 VanDerWaalsContact O-N 3.17Å |
| 773 | A | 79.7 | Confident | 78.1 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -61.8 | -20.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F731 T770 G771 F776 | F731-A773 HydrophobicContact CB-CB 3.74Å; F731-A773 HydrophobicContact CD1-CB 4.26Å; F731-A773 HydrophobicContact CG-CB 4.09Å; T770-A773 PolarHBondContact O-N 2.84Å; T770-A773 WeakPolarHBondContact OG1-CB 3.31Å; T770-A773 PolarHBondContact OG1-N 2.89Å; G771-A773 PolarHBondContact O-N 3.28Å; A773-F776 WeakPolarHBondContact O-CD1 3.18Å; A773-F776 WeakPolarHBondContact O-CE1 3.42Å |
| 774 | L | 85 | Confident | 76.2 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -104 | -5.3 | 179 | -64.6 | 178.9 | 0 | 0 | 0 | 113.8 | M735 L766 A769 G771 P772 L792 V795 L855 I861 | M735-L774 HydrophobicContact CE-CD2 3.83Å; L766-L774 HydrophobicContact CD2-CD1 3.77Å; L766-L774 HydrophobicContact CD2-CD2 4.36Å; A769-L774 HydrophobicContact CB-CD1 4.02Å; A769-L774 HydrophobicContact CB-CD2 4.31Å; A769-L774 HydrophobicContact CB-CG 4.05Å; G771-L774 PolarHBondContact O-N 3.25Å; P772-L774 PolarHBondContact O-N 3.03Å; P772-L774 VanDerWaalsContact O-N 3.14Å; L774-L792 WeakPolarHBondContact O-CB 3.08Å; L774-L792 PolarHBondContact O-N 3.25Å; L774-V795 HydrophobicContact CD2-CG2 4.42Å; L774-L855 HydrophobicContact CD1-CD2 3.84Å; L774-I861 HydrophobicContact CB-CD1 4.21Å; L774-I861 HydrophobicContact CD1-CD1 3.75Å; L774-I861 HydrophobicContact CG-CD1 4.47Å |
| 775 | L | 85.4 | Confident | 74.4 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 29% | 0.293 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -103.8 | 16 | -171.1 | -58.9 | 174.3 | 0 | 0 | 0 | 114 | G771 P772 L792 Q860 I861 V864 | G771-L775 WeakPolarHBondContact O-CG 3.38Å; P772-L775 PolarHBondContact O-N 2.93Å; P772-L775 VanDerWaalsContact O-N 3.17Å; L775-L792 HydrophobicContact CD2-CB 4.47Å; L775-L792 HydrophobicContact CD2-CD2 3.9Å; L775-Q860 HydrophobicContact CD1-CB 3.84Å; L775-I861 HydrophobicContact CD1-CG1 4.45Å; L775-I861 HydrophobicContact CD2-CG1 4.28Å; L775-I861 HydrophobicContact CG-CG1 4.4Å; L775-V864 HydrophobicContact CD1-CG2 4.1Å; L775-V864 HydrophobicContact CD2-CB 3.94Å; L775-V864 HydrophobicContact CD2-CG1 4.13Å; L775-V864 HydrophobicContact CD2-CG2 3.84Å |
| 776 | F | 85 | Confident | 72.7 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | trans | -92.2 | 164.5 | 177.4 | 75 | -86.3 | 0 | 0 | 0 | 113 | F732 M735 P736 A773 F778 C791 | F732-F776 HydrophobicContact CD2-CB 3.66Å; F732-F776 AromaticContact CD2-CD1 3.92Å; F732-F776 HydrophobicContact CD2-CD1 3.92Å; F732-F776 AromaticContact CD2-CD2 3.48Å; F732-F776 HydrophobicContact CD2-CD2 3.48Å; F732-F776 VanDerWaalsContact CD2-CD2 3.48Å; F732-F776 HydrophobicContact CD2-CE1 4.46Å; F732-F776 HydrophobicContact CD2-CE2 4.05Å; F732-F776 AromaticContact CD2-CG 3.41Å; F732-F776 HydrophobicContact CD2-CG 3.41Å; F732-F776 VanDerWaalsContact CD2-CG 3.41Å; F732-F776 HydrophobicContact CE2-CB 3.61Å; F732-F776 AromaticContact CE2-CD2 3.33Å; F732-F776 HydrophobicContact CE2-CD2 3.33Å; F732-F776 HydrophobicContact CE2-CE2 4.11Å; F732-F776 AromaticContact CE2-CG 3.59Å; F732-F776 HydrophobicContact CE2-CG 3.59Å; F732-F776 HydrophobicContact CG-CD2 4.48Å; F732-F776 HydrophobicContact CZ-CD2 4.23Å; M735-F776 HydrophobicContact CB-CE1 4.03Å; M735-F776 HydrophobicContact CB-CZ 3.71Å; M735-F776 HydrophobicContact CG-CE1 4.39Å; P736-F776 HydrophobicContact CG-CE2 4.05Å; P736-F776 HydrophobicContact CG-CZ 4.21Å; A773-F776 WeakPolarHBondContact O-CD1 3.18Å; A773-F776 WeakPolarHBondContact O-CE1 3.42Å; F776-F778 HydrophobicContact CD2-CB 4.39Å; F776-F778 HydrophobicContact CD2-CD1 4.15Å; F776-F778 HydrophobicContact CE2-CB 3.98Å; F776-F778 AromaticContact CE2-CD1 3.48Å; F776-F778 HydrophobicContact CE2-CD1 3.48Å; F776-F778 VanDerWaalsContact CE2-CD1 3.48Å; F776-F778 HydrophobicContact CE2-CE1 4.37Å; F776-F778 HydrophobicContact CE2-CG 4.14Å; F776-F778 HydrophobicContact CZ-CD1 4.04Å; F776-C791 HydrophobicContact CD1-CB 3.9Å; F776-C791 HydrophobicContact CD2-CB 4.49Å; F776-C791 HydrophobicContact CE1-CB 3.65Å; F776-C791 VanDerWaalsContact CE1-SG 3.51Å; F776-C791 HydrophobicContact CE2-CB 4.3Å; F776-C791 HydrophobicContact CG-CB 4.3Å; F776-C791 HydrophobicContact CZ-CB 3.84Å; F776-C791 WeakPolarHBondContact O-CB 3.11Å; F776-C791 PolarHBondContact O-N 3.27Å | ||
| 777 | T | 83.7 | Confident | 71.6 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 22% | 0.221 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 142 | 173 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | K789 E790 | T777-K789 CarbonylContact C-O 3.27Å; T777-K789 VanDerWaalsContact CA-O 3.28Å; T777-K789 WeakPolarHBondContact CA-O 3.3Å; T777-E790 HydrophobicContact CG2-CG 3.84Å |
| 778 | F | 80.1 | Confident | 71.1 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 6% | 0.057 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 160.2 | 176.1 | 59 | -92.6 | 0 | 0 | 0 | 111.2 | F717 P736 I739 F776 K788 K789 C791 A794 | F717-F778 HydrophobicContact CE1-CB 4.17Å; P736-F778 HydrophobicContact CB-CD2 3.93Å; P736-F778 HydrophobicContact CB-CE2 4.2Å; P736-F778 HydrophobicContact CB-CG 4.13Å; P736-F778 HydrophobicContact CG-CB 4Å; P736-F778 HydrophobicContact CG-CD1 4.07Å; P736-F778 HydrophobicContact CG-CD2 4.18Å; P736-F778 HydrophobicContact CG-CG 3.84Å; I739-F778 HydrophobicContact CD1-CE1 3.91Å; I739-F778 HydrophobicContact CD1-CZ 3.82Å; F776-F778 HydrophobicContact CD2-CB 4.39Å; F776-F778 HydrophobicContact CD2-CD1 4.15Å; F776-F778 HydrophobicContact CE2-CB 3.98Å; F776-F778 AromaticContact CE2-CD1 3.48Å; F776-F778 HydrophobicContact CE2-CD1 3.48Å; F776-F778 VanDerWaalsContact CE2-CD1 3.48Å; F776-F778 HydrophobicContact CE2-CE1 4.37Å; F776-F778 HydrophobicContact CE2-CG 4.14Å; F776-F778 HydrophobicContact CZ-CD1 4.04Å; F778-K788 CarbonylContact O-C 3.58Å; F778-K788 WeakPolarHBondContact O-CA 3.48Å; F778-K789 HydrophobicContact CD2-CB 4.44Å; F778-K789 HydrophobicContact CE2-CB 4.06Å; F778-K789 HydrophobicContact CZ-CB 4.19Å; F778-K789 PolarHBondContact N-O 2.99Å; F778-K789 PolarHBondContact O-N 3.22Å; F778-C791 HydrophobicContact CD1-CB 4.21Å; F778-C791 HydrophobicContact CE1-CB 3.9Å; F778-A794 HydrophobicContact CZ-CB 4.29Å |
| 779 | N | 74.3 | Confident | 70.8 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 132.8 | 178 | -68.6 | -25 | 0 | 0 | 0 | 110.7 | ||
| 780 | D | 63.7 | Low | 71 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 9% | 0.086 | 35% | 0.345 | C | S | . | . | trans | -78.4 | 116.5 | 170.2 | -165.3 | 28.2 | 0 | 0 | 0 | 109.7 | T787 K789 | D780-T787 VanDerWaalsContact CB-O 3.27Å; D780-T787 WeakPolarHBondContact CB-O 3.29Å; D780-T787 PolarHBondContact N-O 3.1Å; D780-T787 VanDerWaalsContact N-O 3.1Å; D780-K789 HydrophobicContact CB-CD 3.82Å; D780-K789 HydrophobicContact CB-CG 4.03Å; D780-K789 WeakPolarHBondContact OD1-CE 3.34Å; D780-K789 IonicContact OD1-NZ 3.99Å; D780-K789 PolarHBondContact OD1-NZ 3.45Å; D780-K789 WeakPolarHBondContact OD2-CE 3.43Å; D780-K789 IonicContact OD2-NZ 3.33Å; D780-K789 PolarHBondContact OD2-NZ 3.09Å | ||
| 781 | H | 55.9 | Low | 71.7 | Confident | 172 Ų | 172 | 64.2 Ų | 64.2 | 80% | 0.796 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -87.1 | -9.3 | -179.5 | -75.9 | -65.7 | 0 | 0 | 0 | 113.5 | N783 | H781-N783 VanDerWaalsContact C-N 3.27Å; H781-N783 PolarHBondContact O-N 3.45Å |
| 782 | D | 52.6 | Low | 72.5 | Confident | 93 Ų | 93 | 64.2 Ų | 64.2 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -75.9 | -14.1 | -175.6 | -70.2 | -27.3 | 0 | 0 | 0 | 113.7 | ||
| 783 | N | 45.6 | Very low | 73.1 | Confident | 97 Ų | 97 | 67.9 Ų | 67.9 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -126.6 | 137.2 | 176.9 | -70.6 | -57.5 | 0 | 0 | 0 | 109.9 | H781 S785 | H781-N783 VanDerWaalsContact C-N 3.27Å; H781-N783 PolarHBondContact O-N 3.45Å; N783-S785 VanDerWaalsContact CB-OG 3.31Å; N783-S785 WeakPolarHBondContact CB-OG 3.4Å; N783-S785 CarbonylContact O-C 3.56Å; N783-S785 PolarHBondContact O-N 2.74Å |
| 784 | N | 51.9 | Low | 73.7 | Confident | 188 Ų | 188 | 68.5 Ų | 68.5 | 100% | 1.005 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -58.1 | 2 | 169.8 | -82.1 | -26.1 | 0 | 0 | 0 | 114 | ||
| 785 | S | 52.2 | Low | 74.1 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -90.9 | 125.2 | 165.5 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | N783 T787 | N783-S785 VanDerWaalsContact CB-OG 3.31Å; N783-S785 WeakPolarHBondContact CB-OG 3.4Å; N783-S785 CarbonylContact O-C 3.56Å; N783-S785 PolarHBondContact O-N 2.74Å; S785-T787 PolarHBondContact O-N 3.25Å |
| 786 | Q | 55.1 | Low | 74.5 | Confident | 179 Ų | 179 | 65.7 Ų | 65.7 | 84% | 0.836 | 33% | 0.328 | S | S | * | . | trans | -66.4 | 63.4 | 168.8 | -74.1 | 176.3 | -33.2 | 0 | 0 | 111.6 | K788 | Q786-K788 PolarHBondContact O-N 3.02Š| ||
| 787 | T | 67 | Low | 74.8 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | trans | -84.2 | 113.2 | 174 | 48 | 0 | 0 | 0 | 0 | 108.9 | D780 S785 K789 | D780-T787 VanDerWaalsContact CB-O 3.27Å; D780-T787 WeakPolarHBondContact CB-O 3.29Å; D780-T787 PolarHBondContact N-O 3.1Å; D780-T787 VanDerWaalsContact N-O 3.1Å; S785-T787 PolarHBondContact O-N 3.25Å; T787-K789 PolarHBondContact O-N 3.16Å | ||
| 788 | K | 74.7 | Confident | 75.3 | Confident | 118 Ų | 118 | 65.9 Ų | 65.9 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 121.4 | 171.6 | -69.7 | -178.7 | 177.5 | 175.2 | 0 | 109.4 | E718 F778 Q786 | E718-K788 IonicContact OE2-NZ 3.13Å; E718-K788 PolarHBondContact OE2-NZ 3.33Å; F778-K788 CarbonylContact O-C 3.58Å; F778-K788 WeakPolarHBondContact O-CA 3.48Å; Q786-K788 PolarHBondContact O-N 3.02Å |
| 789 | K | 80.8 | Confident | 75.9 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 33% | 0.326 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134.1 | 172.5 | -83.5 | -180 | 174.8 | 164.2 | 0 | 110.1 | T777 F778 D780 T787 | T777-K789 CarbonylContact C-O 3.27Å; T777-K789 VanDerWaalsContact CA-O 3.28Å; T777-K789 WeakPolarHBondContact CA-O 3.3Å; F778-K789 HydrophobicContact CD2-CB 4.44Å; F778-K789 HydrophobicContact CE2-CB 4.06Å; F778-K789 HydrophobicContact CZ-CB 4.19Å; F778-K789 PolarHBondContact N-O 2.99Å; F778-K789 PolarHBondContact O-N 3.22Å; D780-K789 HydrophobicContact CB-CD 3.82Å; D780-K789 HydrophobicContact CB-CG 4.03Å; D780-K789 WeakPolarHBondContact OD1-CE 3.34Å; D780-K789 IonicContact OD1-NZ 3.99Å; D780-K789 PolarHBondContact OD1-NZ 3.45Å; D780-K789 WeakPolarHBondContact OD2-CE 3.43Å; D780-K789 IonicContact OD2-NZ 3.33Å; D780-K789 PolarHBondContact OD2-NZ 3.09Å; T787-K789 PolarHBondContact O-N 3.16Å |
| 790 | E | 88.6 | Confident | 76.8 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 27% | 0.271 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.4 | 170.1 | -70.2 | 167.3 | 179.7 | 0 | 0 | 109.4 | T777 L792 R793 A794 K869 Y870 | T777-E790 HydrophobicContact CG2-CG 3.84Å; E790-L792 PolarHBondContact O-N 2.87Å; E790-R793 HydrophobicContact CB-CB 3.91Å; E790-R793 WeakPolarHBondContact O-CB 3.37Å; E790-R793 PolarHBondContact O-N 3.33Å; E790-R793 VanDerWaalsContact O-N 3.09Å; E790-A794 PolarHBondContact O-N 2.77Å; E790-K869 IonicContact OE1-NZ 3.44Å; E790-K869 PolarHBondContact OE1-NZ 3.49Å; E790-K869 IonicContact OE2-NZ 2.84Å; E790-K869 PolarHBondContact OE2-NZ 3.01Å; E790-Y870 PolarHBondContact OE2-OH 3.36Å |
| 791 | C | 89.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -47.2 | -177.6 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | F776 F778 R793 A794 V795 | F776-C791 HydrophobicContact CD1-CB 3.9Å; F776-C791 HydrophobicContact CD2-CB 4.49Å; F776-C791 HydrophobicContact CE1-CB 3.65Å; F776-C791 VanDerWaalsContact CE1-SG 3.51Å; F776-C791 HydrophobicContact CE2-CB 4.3Å; F776-C791 HydrophobicContact CG-CB 4.3Å; F776-C791 HydrophobicContact CZ-CB 3.84Å; F776-C791 WeakPolarHBondContact O-CB 3.11Å; F776-C791 PolarHBondContact O-N 3.27Å; F778-C791 HydrophobicContact CD1-CB 4.21Å; F778-C791 HydrophobicContact CE1-CB 3.9Å; C791-R793 VanDerWaalsContact C-N 3.26Å; C791-R793 PolarHBondContact O-N 3.26Å; C791-A794 PolarHBondContact O-N 3.03Å; C791-A794 VanDerWaalsContact O-N 3.11Å; C791-V795 WeakPolarHBondContact O-CG2 3.38Å; C791-V795 PolarHBondContact O-N 3.37Å |
| 792 | L | 92 | Very high | 79.7 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.5 | -40.7 | 174.5 | -177.5 | 62.3 | 0 | 0 | 0 | 112.4 | L774 L775 E790 V795 L796 L855 I861 V864 L865 Y870 | L774-L792 WeakPolarHBondContact O-CB 3.08Å; L774-L792 PolarHBondContact O-N 3.25Å; L775-L792 HydrophobicContact CD2-CB 4.47Å; L775-L792 HydrophobicContact CD2-CD2 3.9Å; E790-L792 PolarHBondContact O-N 2.87Å; L792-V795 PolarHBondContact O-N 3.04Å; L792-L796 HydrophobicContact CD1-CG 4.46Å; L792-L796 HydrophobicContact CG-CD1 4.25Å; L792-L796 VanDerWaalsContact O-CG 3.26Å; L792-L796 WeakPolarHBondContact O-CG 3.38Å; L792-L796 PolarHBondContact O-N 3.19Å; L792-L855 HydrophobicContact CD1-CD1 4.44Å; L792-I861 HydrophobicContact CD1-CG2 4.05Å; L792-I861 HydrophobicContact CD2-CG2 4.22Å; L792-V864 HydrophobicContact CD2-CB 4.43Å; L792-V864 HydrophobicContact CD2-CG1 3.93Å; L792-L865 HydrophobicContact CD2-CD2 4.05Å; L792-L865 HydrophobicContact CD2-CG 4.31Å; L792-Y870 HydrophobicContact CB-CE1 4.34Å; L792-Y870 HydrophobicContact CD2-CD1 4.26Å; L792-Y870 HydrophobicContact CD2-CE1 3.75Å; L792-Y870 HydrophobicContact CG-CE1 3.83Å |
| 793 | R | 91.7 | Very high | 81.5 | Confident | 134 Ų | 134 | 54 Ų | 54 | 51% | 0.506 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 177.8 | -175.3 | 176.3 | -178.2 | 157.2 | 2 | 111.7 | E790 C791 L796 D797 Y870 | E790-R793 HydrophobicContact CB-CB 3.91Å; E790-R793 WeakPolarHBondContact O-CB 3.37Å; E790-R793 PolarHBondContact O-N 3.33Å; E790-R793 VanDerWaalsContact O-N 3.09Å; C791-R793 VanDerWaalsContact C-N 3.26Å; C791-R793 PolarHBondContact O-N 3.26Å; R793-L796 PolarHBondContact O-N 3.41Å; R793-D797 WeakPolarHBondContact O-CB 3.26Å; R793-D797 PolarHBondContact O-N 3.21Å; R793-Y870 HydrophobicContact CB-CE1 4.42Å |
| 794 | A | 91.4 | Very high | 83.5 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | I739 F778 E790 C791 D797 L798 | I739-A794 HydrophobicContact CD1-CB 3.95Å; I739-A794 HydrophobicContact CG2-CB 4.15Å; F778-A794 HydrophobicContact CZ-CB 4.29Å; E790-A794 PolarHBondContact O-N 2.77Å; C791-A794 PolarHBondContact O-N 3.03Å; C791-A794 VanDerWaalsContact O-N 3.11Å; A794-D797 PolarHBondContact O-N 2.95Å; A794-L798 WeakPolarHBondContact O-CG 3.3Å; A794-L798 PolarHBondContact O-N 2.88Å |
| 795 | V | 93.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 173.7 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | M735 L766 L774 C791 L792 D797 L798 L799 | M735-V795 HydrophobicContact CE-CG2 4.06Å; L766-V795 HydrophobicContact CD1-CG1 4.15Å; L766-V795 HydrophobicContact CD2-CG1 3.95Å; L774-V795 HydrophobicContact CD2-CG2 4.42Å; C791-V795 WeakPolarHBondContact O-CG2 3.38Å; C791-V795 PolarHBondContact O-N 3.37Å; L792-V795 PolarHBondContact O-N 3.04Å; V795-D797 VanDerWaalsContact C-N 3.33Å; V795-L798 WeakPolarHBondContact O-CB 3.31Å; V795-L798 PolarHBondContact O-N 2.88Å; V795-L799 HydrophobicContact CG1-CD1 4.46Å; V795-L799 WeakPolarHBondContact O-CG 3.41Å; V795-L799 PolarHBondContact O-N 3.26Å |
| 796 | L | 94.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.2 | -35.2 | 178.2 | -67.2 | 171.2 | 0 | 0 | 0 | 112.1 | L792 R793 L799 E800 L852 L855 L865 Y870 Y873 L878 | L792-L796 HydrophobicContact CD1-CG 4.46Å; L792-L796 HydrophobicContact CG-CD1 4.25Å; L792-L796 VanDerWaalsContact O-CG 3.26Å; L792-L796 WeakPolarHBondContact O-CG 3.38Å; L792-L796 PolarHBondContact O-N 3.19Å; R793-L796 PolarHBondContact O-N 3.41Å; L796-L799 HydrophobicContact CD2-CD1 4.47Å; L796-L799 PolarHBondContact O-N 3.31Å; L796-E800 PolarHBondContact O-N 3.44Å; L796-L852 HydrophobicContact CD2-CD1 3.79Å; L796-L855 HydrophobicContact CD2-CD1 4.07Å; L796-L865 HydrophobicContact CD1-CD2 4.07Å; L796-Y870 HydrophobicContact CD1-CD1 3.57Å; L796-Y870 HydrophobicContact CD1-CE1 3.76Å; L796-Y873 HydrophobicContact CB-CD1 4.44Å; L796-Y873 HydrophobicContact CB-CE1 3.77Å; L796-Y873 HydrophobicContact CD1-CD1 4.4Å; L796-L878 HydrophobicContact CD2-CD1 4.01Å |
| 797 | D | 92.6 | Very high | 87 | Confident | 55 Ų | 55 | 35.4 Ų | 35.4 | 29% | 0.294 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 173.6 | 176.6 | 64.8 | 0 | 0 | 0 | 112.2 | R793 A794 V795 L799 E800 R801 Y873 | R793-D797 WeakPolarHBondContact O-CB 3.26Å; R793-D797 PolarHBondContact O-N 3.21Å; A794-D797 PolarHBondContact O-N 2.95Å; V795-D797 VanDerWaalsContact C-N 3.33Å; D797-L799 VanDerWaalsContact C-N 3.33Å; D797-L799 PolarHBondContact O-N 2.95Å; D797-E800 WeakPolarHBondContact O-CB 3.43Å; D797-E800 PolarHBondContact O-N 3.19Å; D797-R801 PolarHBondContact O-N 3.46Å; D797-R801 IonicContact OD1-NE 3.41Å; D797-R801 PolarHBondContact OD1-NE 2.86Å; D797-R801 IonicContact OD2-CZ 3.56Å; D797-R801 VanDerWaalsContact OD2-CZ 3.24Å; D797-R801 IonicContact OD2-NE 3.82Å; D797-R801 PolarHBondContact OD2-NE 3.33Å; D797-R801 IonicContact OD2-NH2 2.81Å; D797-R801 PolarHBondContact OD2-NH2 3.48Å; D797-Y873 WeakPolarHBondContact CA-OH 3.4Å |
| 798 | L | 93.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.5 | -42.4 | 169.8 | -77.3 | 172.2 | 0 | 0 | 0 | 111.8 | I739 L742 N743 L746 W752 L762 A794 V795 G802 | I739-L798 HydrophobicContact CB-CD1 4.45Å; I739-L798 HydrophobicContact CG1-CD1 4.12Å; I739-L798 HydrophobicContact CG2-CD1 4.21Å; L742-L798 HydrophobicContact CB-CD1 4.09Å; L742-L798 HydrophobicContact CB-CD2 3.97Å; L742-L798 HydrophobicContact CD1-CD1 3.99Å; N743-L798 WeakPolarHBondContact OD1-CD2 3.26Å; L746-L798 HydrophobicContact CD1-CD2 3.61Å; W752-L798 HydrophobicContact CH2-CB 4.37Å; W752-L798 HydrophobicContact CH2-CD2 4.45Å; L762-L798 HydrophobicContact CD2-CB 4.44Å; A794-L798 WeakPolarHBondContact O-CG 3.3Å; A794-L798 PolarHBondContact O-N 2.88Å; V795-L798 WeakPolarHBondContact O-CB 3.31Å; V795-L798 PolarHBondContact O-N 2.88Å; L798-G802 VanDerWaalsContact O-CA 3.26Å; L798-G802 WeakPolarHBondContact O-CA 3.44Å; L798-G802 PolarHBondContact O-N 3.46Å |
| 799 | L | 92.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.1 | -40.4 | 174.7 | -71.1 | 174.6 | 0 | 0 | 0 | 111.8 | L762 V795 L796 D797 C803 L805 L851 L855 | L762-L799 HydrophobicContact CD2-CD2 3.9Å; L762-L799 HydrophobicContact CD2-CG 4.37Å; V795-L799 HydrophobicContact CG1-CD1 4.46Å; V795-L799 WeakPolarHBondContact O-CG 3.41Å; V795-L799 PolarHBondContact O-N 3.26Å; L796-L799 HydrophobicContact CD2-CD1 4.47Å; L796-L799 PolarHBondContact O-N 3.31Å; D797-L799 VanDerWaalsContact C-N 3.33Å; D797-L799 PolarHBondContact O-N 2.95Å; L799-C803 VanDerWaalsContact O-CB 3.25Å; L799-C803 WeakPolarHBondContact O-CB 3.44Å; L799-C803 PolarHBondContact O-N 3.43Å; L799-L805 HydrophobicContact CB-CD1 4.48Å; L799-L851 HydrophobicContact CD2-CB 4.14Å; L799-L851 HydrophobicContact CD2-CD1 3.85Å; L799-L855 HydrophobicContact CD1-CD1 4.33Å |
| 800 | E | 93.2 | Very high | 84.1 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.8 | -59.8 | 177.2 | -172.2 | -176.8 | 158.1 | 0 | 0 | 110.9 | L796 D797 R804 L805 N806 Y873 L878 | L796-E800 PolarHBondContact O-N 3.44Å; D797-E800 WeakPolarHBondContact O-CB 3.43Å; D797-E800 PolarHBondContact O-N 3.19Å; E800-R804 WeakPolarHBondContact O-CA 2.98Å; E800-R804 PolarHBondContact O-N 3.2Å; E800-L805 PolarHBondContact O-N 2.76Å; E800-L805 VanDerWaalsContact O-N 3.08Å; E800-N806 HydrophobicContact CG-CB 3.75Å; E800-N806 VanDerWaalsContact OE1-CB 3.27Å; E800-N806 WeakPolarHBondContact OE1-CB 3.47Å; E800-N806 PolarHBondContact OE1-ND2 3.28Å; E800-Y873 WeakPolarHBondContact OE2-CE2 3.29Å; E800-Y873 PolarHBondContact OE2-OH 3.16Å; E800-L878 HydrophobicContact CB-CD2 3.56Å; E800-L878 HydrophobicContact CG-CD2 3.89Å |
| 801 | R | 90.6 | Very high | 81.9 | Confident | 77 Ų | 77 | 28.1 Ų | 28.1 | 29% | 0.291 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -71.5 | -50.4 | -175.3 | -67.1 | -175.5 | -72.1 | 108.3 | 1.3 | 111 | N743 D797 C803 R804 | N743-R801 PolarHBondContact OD1-NH2 2.87Å; D797-R801 PolarHBondContact O-N 3.46Å; D797-R801 IonicContact OD1-NE 3.41Å; D797-R801 PolarHBondContact OD1-NE 2.86Å; D797-R801 IonicContact OD2-CZ 3.56Å; D797-R801 VanDerWaalsContact OD2-CZ 3.24Å; D797-R801 IonicContact OD2-NE 3.82Å; D797-R801 PolarHBondContact OD2-NE 3.33Å; D797-R801 IonicContact OD2-NH2 2.81Å; D797-R801 PolarHBondContact OD2-NH2 3.48Å; R801-C803 PolarHBondContact O-N 3.23Å; R801-R804 PolarHBondContact O-N 3.09Å |
| 802 | G | 89.5 | Confident | 79.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.5 | -35.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W752 L798 | W752-G802 PolarHBondContact N-O 3.39Å; W752-G802 VanDerWaalsContact N-O 3.17Å; L798-G802 VanDerWaalsContact O-CA 3.26Å; L798-G802 WeakPolarHBondContact O-CA 3.44Å; L798-G802 PolarHBondContact O-N 3.46Å |
| 803 | C | 91 | Very high | 76.8 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 7.5 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 114.4 | L799 R801 L805 L844 R845 | L799-C803 VanDerWaalsContact O-CB 3.25Å; L799-C803 WeakPolarHBondContact O-CB 3.44Å; L799-C803 PolarHBondContact O-N 3.43Å; R801-C803 PolarHBondContact O-N 3.23Å; C803-L805 VanDerWaalsContact C-N 3.31Å; C803-L805 HydrophobicContact CB-CD1 4.42Å; C803-L805 HydrophobicContact CB-CD2 4.3Å; C803-L805 HydrophobicContact CB-CG 4Å; C803-L805 PolarHBondContact O-N 2.7Å; C803-L844 HydrophobicContact CB-CD1 4.46Å; C803-L844 HydrophobicContact CB-CG 4.24Å; C803-R845 WeakPolarHBondContact O-CG 3.41Å |
| 804 | R | 87.2 | Confident | 73.6 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 42.9 | -180 | -56.7 | -172.9 | 176.2 | -169.2 | 1.9 | 114.4 | S751 E800 R801 D834 L844 R845 | S751-R804 VanDerWaalsContact CB-NE 3.27Å; S751-R804 VanDerWaalsContact OG-CZ 3.31Å; S751-R804 PolarHBondContact OG-NE 2.66Å; S751-R804 PolarHBondContact OG-NH2 3.47Å; S751-R804 VanDerWaalsContact OG-NH2 3.16Å; E800-R804 WeakPolarHBondContact O-CA 2.98Å; E800-R804 PolarHBondContact O-N 3.2Å; R801-R804 PolarHBondContact O-N 3.09Å; R804-D834 IonicContact CZ-OD1 2.73Å; R804-D834 IonicContact CZ-OD2 2.94Å; R804-D834 IonicContact NH1-OD1 3.95Å; R804-D834 PolarHBondContact NH1-OD1 3.09Å; R804-D834 IonicContact NH1-OD2 2.95Å; R804-D834 PolarHBondContact NH1-OD2 3.19Å; R804-D834 IonicContact NH2-OD1 3.99Å; R804-D834 PolarHBondContact NH2-OD1 3.18Å; R804-L844 HydrophobicContact CG-CD2 4.42Å; R804-R845 VanDerWaalsContact O-CZ 3.31Å; R804-R845 PolarHBondContact O-NE 3.37Å; R804-R845 VanDerWaalsContact O-NE 3.15Å; R804-R845 PolarHBondContact O-NH2 3.41Å |
| 805 | L | 86.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -76.9 | -23.5 | -175.4 | -61.6 | 176.6 | 0 | 0 | 0 | 113.1 | L799 E800 C803 R845 L849 K877 L878 V882 | L799-L805 HydrophobicContact CB-CD1 4.48Å; E800-L805 PolarHBondContact O-N 2.76Å; E800-L805 VanDerWaalsContact O-N 3.08Å; C803-L805 VanDerWaalsContact C-N 3.31Å; C803-L805 HydrophobicContact CB-CD1 4.42Å; C803-L805 HydrophobicContact CB-CD2 4.3Å; C803-L805 HydrophobicContact CB-CG 4Å; C803-L805 PolarHBondContact O-N 2.7Å; L805-R845 HydrophobicContact CD2-CB 4.2Å; L805-R845 HydrophobicContact CD2-CG 4.22Å; L805-L849 HydrophobicContact CD2-CD2 4.43Å; L805-L849 HydrophobicContact CD2-CG 4.09Å; L805-K877 CarbonylContact C-O 3.6Å; L805-K877 VanDerWaalsContact C-O 3.27Å; L805-L878 HydrophobicContact CB-CB 4.46Å; L805-L878 HydrophobicContact CB-CD2 4.19Å; L805-L878 HydrophobicContact CD1-CB 4.2Å; L805-L878 HydrophobicContact CD1-CD2 4.07Å; L805-V882 HydrophobicContact CD2-CG2 4.5Å | ||
| 806 | N | 79.4 | Confident | 67.4 | Low | 64 Ų | 64 | 42.7 Ų | 42.7 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -82.4 | -19.1 | -178.3 | 63 | -1.9 | 0 | 0 | 0 | 114.9 | E800 K877 | E800-N806 HydrophobicContact CG-CB 3.75Å; E800-N806 VanDerWaalsContact OE1-CB 3.27Å; E800-N806 WeakPolarHBondContact OE1-CB 3.47Å; E800-N806 PolarHBondContact OE1-ND2 3.28Å; N806-K877 WeakPolarHBondContact CA-O 3.38Å; N806-K877 PolarHBondContact N-O 3.49Å |
| 807 | C | 66.8 | Low | 64.1 | Low | 44 Ų | 44 | 50.2 Ų | 50.2 | 30% | 0.297 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -86.8 | 144 | 179.1 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | R845 | C807-R845 PolarHBondContact O-NH1 3.14Å; C807-R845 PolarHBondContact O-NH2 3.4Å |
| 808 | T | 58.8 | Low | 60.8 | Low | 72 Ų | 72 | 54.5 Ų | 54.5 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 138.3 | 163.5 | 62.4 | 0 | 0 | 0 | 0 | 108.6 | G810 G811 | T808-G810 PolarHBondContact O-N 3.14Å; T808-G811 PolarHBondContact O-N 3.13Å |
| 809 | P | 51.5 | Low | 57.5 | Low | 8 Ų | 8 | 58.7 Ų | 58.7 | 5% | 0.052 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 140.2 | -176.5 | -10.3 | 11.2 | 0 | 0 | 0 | 111.8 | G811 R845 R886 M894 | P809-G811 PolarHBondContact O-N 3.49Å; P809-R845 VanDerWaalsContact CA-NH1 3.26Å; P809-R845 VanDerWaalsContact N-NH1 3.19Å; P809-R886 VanDerWaalsContact C-NH1 3.32Å; P809-R886 PolarHBondContact O-NH1 2.52Å; P809-R886 PolarHBondContact O-NH2 2.71Å; P809-M894 HydrophobicContact CB-CE 4.48Å; P809-M894 HydrophobicContact CG-CE 4.22Å |
| 810 | G | 51.5 | Low | 54.2 | Low | 51 Ų | 51 | 63.3 Ų | 63.3 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 10 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | T808 C812 | T808-G810 PolarHBondContact O-N 3.14Å; G810-C812 PolarHBondContact O-N 3.28Å |
| 811 | G | 43.2 | Very low | 50.8 | Low | 31 Ų | 31 | 69.9 Ų | 69.9 | 32% | 0.32 | 48% | 0.481 | S | S | . | . | trans | -79 | 107.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | T808 P809 G813 | T808-G811 PolarHBondContact O-N 3.13Å; P809-G811 PolarHBondContact O-N 3.49Å; G811-G813 PolarHBondContact O-N 3.46Å | ||
| 812 | C | 39.5 | Very low | 47.6 | Very low | 114 Ų | 114 | 72.8 Ų | 72.8 | 77% | 0.77 | 50% | 0.502 | S | S | * | . | trans | -44.1 | 131.8 | 170.1 | -52.5 | 0 | 0 | 0 | 0 | 108.6 | G810 G814 | G810-C812 PolarHBondContact O-N 3.28Å; C812-G814 PolarHBondContact O-N 3.47Å | ||
| 813 | G | 33.8 | Very low | 44.4 | Very low | 70 Ų | 70 | 80.9 Ų | 80.9 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | trans | -58.1 | 85.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | G811 G815 | G811-G813 PolarHBondContact O-N 3.46Å; G813-G815 PolarHBondContact O-N 2.94Å | ||
| 814 | G | 26 | Very low | 41.2 | Very low | 73 Ų | 73 | 84.6 Ų | 84.6 | 75% | 0.753 | 57% | 0.572 | S | S | * | * | trans | -80.5 | 106.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | C812 | C812-G814 PolarHBondContact O-N 3.47Š| ||
| 815 | G | 25.8 | Very low | 38.2 | Very low | 64 Ų | 64 | 92.5 Ų | 92.5 | 66% | 0.66 | 61% | 0.61 | S | S | * | * | trans | -48.9 | 153.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | G813 D817 | G813-G815 PolarHBondContact O-N 2.94Å; G815-D817 PolarHBondContact O-N 3.42Å | ||
| 816 | V | 27.9 | Very low | 35.3 | Very low | 135 Ų | 135 | 101.4 Ų | 101.4 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | -63.9 | 77.8 | -178.7 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 817 | D | 25.1 | Very low | 32.7 | Very low | 159 Ų | 159 | 104.3 Ų | 104.3 | 85% | 0.85 | 67% | 0.665 | S | S | * | * | trans | -94.3 | 100.3 | 165.3 | -81.3 | -11.8 | 0 | 0 | 0 | 108.5 | G815 G819 | G815-D817 PolarHBondContact O-N 3.42Å; D817-G819 PolarHBondContact O-N 3.29Å | ||
| 818 | N | 24.2 | Very low | 30.7 | Very low | 145 Ų | 145 | 112.7 Ų | 112.7 | 78% | 0.775 | 70% | 0.696 | S | S | * | * | trans | -36.6 | 119.1 | 159.6 | -77.4 | -38.8 | 0 | 0 | 0 | 110.9 | S820 | N818-S820 PolarHBondContact O-N 2.9Š| ||
| 819 | G | 22.5 | Very low | 29 | Very low | 88 Ų | 88 | 112.8 Ų | 112.8 | 91% | 0.907 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 31.4 | 64 | 147.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | D817 | D817-G819 PolarHBondContact O-N 3.29Š|
| 820 | S | 23.5 | Very low | 28 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -128 | 84 | 162.5 | 171.9 | 0 | 0 | 0 | 0 | 108.9 | N818 N822 | N818-S820 PolarHBondContact O-N 2.9Å; S820-N822 PolarHBondContact O-N 2.93Å | ||
| 821 | N | 21.4 | Very low | 27.1 | Very low | 153 Ų | 153 | 120.1 Ų | 120.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -9.3 | 93 | 150.4 | -155 | 26.7 | 0 | 0 | 0 | 114 | ||||
| 822 | N | 23.6 | Very low | 26.8 | Very low | 138 Ų | 138 | 121.3 Ų | 121.3 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -152.7 | 112.2 | 158.4 | -94.3 | -26.1 | 0 | 0 | 0 | 109.4 | S820 S824 | S820-N822 PolarHBondContact O-N 2.93Å; N822-S824 VanDerWaalsContact C-N 3.27Å; N822-S824 PolarHBondContact O-N 3.18Å | ||
| 823 | N | 22.5 | Very low | 27.1 | Very low | 170 Ų | 170 | 123 Ų | 123 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -57.3 | 87.6 | 163.3 | -74.9 | -32.3 | 0 | 0 | 0 | 109.3 | ||||
| 824 | S | 24.7 | Very low | 28 | Very low | 79 Ų | 79 | 122.3 Ų | 122.3 | 55% | 0.552 | 75% | 0.749 | S | S | * | * | trans | -111.7 | 98.9 | 160.4 | 57.1 | 0 | 0 | 0 | 0 | 108.3 | N822 F826 | N822-S824 VanDerWaalsContact C-N 3.27Å; N822-S824 PolarHBondContact O-N 3.18Å; S824-F826 PolarHBondContact O-N 3.15Å | ||
| 825 | Q | 23.4 | Very low | 29.6 | Very low | 188 Ų | 188 | 124.3 Ų | 124.3 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | -60.2 | 76.8 | 166.1 | -165.6 | 169.5 | 16.6 | 0 | 0 | 107.8 | D827 | Q825-D827 PolarHBondContact O-N 3.48Š| ||
| 826 | F | 25.6 | Very low | 31.4 | Very low | 186 Ų | 186 | 122.6 Ų | 122.6 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | trans | -74.2 | 102.4 | 177.4 | -101.1 | -81.4 | 0 | 0 | 0 | 109.6 | S824 | S824-F826 PolarHBondContact O-N 3.15Š| ||
| 827 | D | 24.6 | Very low | 33.6 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 67% | 0.674 | 71% | 0.712 | S | S | * | * | trans | -20.1 | 128.2 | 165.4 | -72.7 | -48.9 | 0 | 0 | 0 | 117.1 | Q825 S829 | Q825-D827 PolarHBondContact O-N 3.48Å; D827-S829 PolarHBondContact O-N 3.39Å | ||
| 828 | K | 24.9 | Very low | 35.8 | Very low | 219 Ų | 219 | 117.8 Ų | 117.8 | 95% | 0.952 | 70% | 0.697 | S | S | * | * | trans | -68.4 | 52.1 | 155.6 | -69.2 | 178 | 173.6 | 176.9 | 0 | 111.1 | ||||
| 829 | S | 24.8 | Very low | 38.3 | Very low | 74 Ų | 74 | 113.8 Ų | 113.8 | 52% | 0.517 | 68% | 0.684 | S | S | . | * | trans | -78.9 | 134.8 | 172.4 | -71.9 | 0 | 0 | 0 | 0 | 109.3 | D827 G831 | D827-S829 PolarHBondContact O-N 3.39Å; S829-G831 PolarHBondContact O-N 3.24Å | ||
| 830 | P | 30.2 | Very low | 41.1 | Very low | 148 Ų | 148 | 110.7 Ų | 110.7 | 96% | 0.961 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 16.7 | -176.5 | -14 | 28.7 | 0 | 0 | 0 | 115.4 | ||
| 831 | G | 31.4 | Very low | 43.9 | Very low | 65 Ų | 65 | 106.6 Ų | 106.6 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 30.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S829 T833 | S829-G831 PolarHBondContact O-N 3.24Å; G831-T833 PolarHBondContact O-N 3.31Å |
| 832 | G | 37.5 | Very low | 46.9 | Very low | 57 Ų | 57 | 99.6 Ų | 99.6 | 59% | 0.588 | 58% | 0.582 | S | S | * | * | trans | -48.8 | 135.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D834 | G832-D834 PolarHBondContact O-N 3.45Š| ||
| 833 | T | 46.9 | Very low | 49.8 | Very low | 150 Ų | 150 | 96.1 Ų | 96.1 | 92% | 0.92 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -61.4 | 8.2 | -174.4 | 48 | 0 | 0 | 0 | 0 | 115 | G831 | G831-T833 PolarHBondContact O-N 3.31Š|
| 834 | D | 52.5 | Low | 53 | Low | 55 Ų | 55 | 88 Ų | 88 | 29% | 0.294 | 52% | 0.518 | S | S | . | . | trans | -96.7 | 116.8 | -176.9 | -152.9 | -13.3 | 0 | 0 | 0 | 109.8 | R804 G832 L836 | R804-D834 IonicContact CZ-OD1 2.73Å; R804-D834 IonicContact CZ-OD2 2.94Å; R804-D834 IonicContact NH1-OD1 3.95Å; R804-D834 PolarHBondContact NH1-OD1 3.09Å; R804-D834 IonicContact NH1-OD2 2.95Å; R804-D834 PolarHBondContact NH1-OD2 3.19Å; R804-D834 IonicContact NH2-OD1 3.99Å; R804-D834 PolarHBondContact NH2-OD1 3.18Å; G832-D834 PolarHBondContact O-N 3.45Å; D834-L836 PolarHBondContact O-N 3.09Å; D834-L836 VanDerWaalsContact O-N 3.1Å | ||
| 835 | P | 59.1 | Low | 56.1 | Low | 114 Ų | 114 | 84.3 Ų | 84.3 | 74% | 0.74 | 49% | 0.492 | S | S | * | . | trans | -70 | -8.9 | -171.3 | 26.4 | -36 | 0 | 0 | 0 | 114.3 | ||||
| 836 | L | 62.6 | Low | 59.2 | Low | 29 Ų | 29 | 78.1 Ų | 78.1 | 15% | 0.152 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -97.2 | 131.9 | -175.5 | -67.7 | 175.4 | 0 | 0 | 0 | 112.1 | N753 D834 L844 | N753-L836 HydrophobicContact CB-CD2 3.64Å; D834-L836 PolarHBondContact O-N 3.09Å; D834-L836 VanDerWaalsContact O-N 3.1Å; L836-L844 HydrophobicContact CD1-CD2 4.12Å |
| 837 | T | 74.1 | Confident | 62.2 | Low | 90 Ų | 90 | 72.8 Ų | 72.8 | 55% | 0.552 | 44% | 0.439 | S | S | * | . | trans | -64.5 | 153.7 | 163.6 | 70.4 | 0 | 0 | 0 | 0 | 110.4 | A839 S840 E841 | T837-A839 PolarHBondContact O-N 3.38Å; T837-A839 VanDerWaalsContact O-N 3.13Å; T837-S840 WeakPolarHBondContact CA-OG 3.47Å; T837-S840 PolarHBondContact N-OG 3.02Å; T837-S840 PolarHBondContact O-N 3.23Å; T837-S840 PolarHBondContact O-OG 3.2Å; T837-S840 PolarHBondContact OG1-N 3.23Å; T837-S840 VanDerWaalsContact OG1-N 3.1Å; T837-S840 PolarHBondContact OG1-OG 2.71Å; T837-E841 PolarHBondContact O-N 3.31Å | ||
| 838 | L | 72.8 | Confident | 65.4 | Low | 102 Ų | 102 | 66.8 Ų | 66.8 | 53% | 0.534 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -54.2 | -33.6 | 174 | -175.1 | 69.3 | 0 | 0 | 0 | 112.4 | A842 | L838-A842 WeakPolarHBondContact O-CB 3.46Å; L838-A842 PolarHBondContact O-N 3.34Å; L838-A842 VanDerWaalsContact O-N 3.08Å |
| 839 | A | 76.7 | Confident | 68.7 | Low | 62 Ų | 62 | 56.4 Ų | 56.4 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.1 | -47.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T837 A842 E843 | T837-A839 PolarHBondContact O-N 3.38Å; T837-A839 VanDerWaalsContact O-N 3.13Å; A839-A842 PolarHBondContact O-N 3.15Å; A839-E843 PolarHBondContact O-N 3.28Å |
| 840 | S | 81.6 | Confident | 71.8 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -36.1 | 177.1 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | P754 T837 A842 E843 L844 | P754-S840 WeakPolarHBondContact CG-O 3.48Å; T837-S840 WeakPolarHBondContact CA-OG 3.47Å; T837-S840 PolarHBondContact N-OG 3.02Å; T837-S840 PolarHBondContact O-N 3.23Å; T837-S840 PolarHBondContact O-OG 3.2Å; T837-S840 PolarHBondContact OG1-N 3.23Å; T837-S840 VanDerWaalsContact OG1-N 3.1Å; T837-S840 PolarHBondContact OG1-OG 2.71Å; S840-A842 VanDerWaalsContact C-N 3.33Å; S840-E843 PolarHBondContact O-N 3.47Å; S840-L844 VanDerWaalsContact O-CB 3.27Å; S840-L844 WeakPolarHBondContact O-CB 3.48Å; S840-L844 PolarHBondContact O-N 2.97Å |
| 841 | E | 81.8 | Confident | 74.8 | Confident | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 173.4 | -173.8 | -171.7 | 173.1 | 0 | 0 | 110.9 | T837 L844 R845 | T837-E841 PolarHBondContact O-N 3.31Å; E841-L844 PolarHBondContact O-N 3.15Å; E841-R845 VanDerWaalsContact O-CG 3.3Å; E841-R845 WeakPolarHBondContact O-CG 3.39Å; E841-R845 PolarHBondContact O-N 3.32Å; E841-R845 IonicContact OE1-CZ 3.8Å; E841-R845 IonicContact OE1-NE 3.01Å; E841-R845 PolarHBondContact OE1-NE 3.18Å; E841-R845 IonicContact OE1-NH1 3.23Å; E841-R845 IonicContact OE1-NH2 2.71Å; E841-R845 PolarHBondContact OE1-NH2 3.18Å |
| 842 | A | 82.9 | Confident | 77.7 | Confident | 7 Ų | 7 | 49 Ų | 49 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L838 A839 S840 R845 L846 T890 M894 | L838-A842 WeakPolarHBondContact O-CB 3.46Å; L838-A842 PolarHBondContact O-N 3.34Å; L838-A842 VanDerWaalsContact O-N 3.08Å; A839-A842 PolarHBondContact O-N 3.15Å; S840-A842 VanDerWaalsContact C-N 3.33Å; A842-R845 PolarHBondContact O-N 3.01Å; A842-L846 WeakPolarHBondContact O-CB 3.5Å; A842-L846 PolarHBondContact O-N 3.09Å; A842-T890 HydrophobicContact CB-CG2 3.06Å; A842-M894 HydrophobicContact CB-CG 3.9Å; A842-M894 HydrophobicContact CB-SD 3.42Å; A842-M894 WeakPolarHBondContact CB-SD 3.26Å |
| 843 | E | 86.2 | Confident | 80.3 | Confident | 65 Ų | 65 | 47.8 Ų | 47.8 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 175.1 | -170.5 | -166.8 | 150.4 | 0 | 0 | 111.3 | P754 A839 S840 R845 L846 R847 | P754-E843 HydrophobicContact CB-CB 4.35Å; P754-E843 HydrophobicContact CB-CG 4.04Å; P754-E843 WeakPolarHBondContact CB-OE1 3.31Å; P754-E843 HydrophobicContact CG-CB 3.98Å; P754-E843 HydrophobicContact CG-CG 4.23Å; A839-E843 PolarHBondContact O-N 3.28Å; S840-E843 PolarHBondContact O-N 3.47Å; E843-R845 PolarHBondContact O-N 3.15Å; E843-L846 WeakPolarHBondContact O-CB 3.33Å; E843-L846 PolarHBondContact O-N 3.07Å; E843-R847 WeakPolarHBondContact O-CG 3.15Å; E843-R847 PolarHBondContact O-N 2.63Å; E843-R847 IonicContact OE1-CZ 3.99Å; E843-R847 IonicContact OE1-NE 3.23Å; E843-R847 PolarHBondContact OE1-NE 2.83Å; E843-R847 IonicContact OE1-NH2 3.61Å; E843-R847 PolarHBondContact OE1-NH2 3.1Å |
| 844 | L | 88.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 176.8 | 178.3 | 67.6 | 0 | 0 | 0 | 111.7 | W752 P754 L759 C803 R804 L836 S840 E841 R847 G848 | W752-L844 HydrophobicContact CB-CD1 4.02Å; W752-L844 WeakPolarHBondContact O-CD2 3.26Å; P754-L844 HydrophobicContact CG-CB 4.3Å; L759-L844 HydrophobicContact CD2-CD1 3.6Å; C803-L844 HydrophobicContact CB-CD1 4.46Å; C803-L844 HydrophobicContact CB-CG 4.24Å; R804-L844 HydrophobicContact CG-CD2 4.42Å; L836-L844 HydrophobicContact CD1-CD2 4.12Å; S840-L844 VanDerWaalsContact O-CB 3.27Å; S840-L844 WeakPolarHBondContact O-CB 3.48Å; S840-L844 PolarHBondContact O-N 2.97Å; E841-L844 PolarHBondContact O-N 3.15Å; L844-R847 PolarHBondContact O-N 2.76Å; L844-G848 PolarHBondContact O-N 2.91Å |
| 845 | R | 89.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 177 | -71.9 | 172.5 | 177.5 | -152.6 | 4.5 | 112.4 | C803 R804 L805 C807 P809 E841 A842 E843 G848 L849 M894 | C803-R845 WeakPolarHBondContact O-CG 3.41Å; R804-R845 VanDerWaalsContact O-CZ 3.31Å; R804-R845 PolarHBondContact O-NE 3.37Å; R804-R845 VanDerWaalsContact O-NE 3.15Å; R804-R845 PolarHBondContact O-NH2 3.41Å; L805-R845 HydrophobicContact CD2-CB 4.2Å; L805-R845 HydrophobicContact CD2-CG 4.22Å; C807-R845 PolarHBondContact O-NH1 3.14Å; C807-R845 PolarHBondContact O-NH2 3.4Å; P809-R845 VanDerWaalsContact CA-NH1 3.26Å; P809-R845 VanDerWaalsContact N-NH1 3.19Å; E841-R845 VanDerWaalsContact O-CG 3.3Å; E841-R845 WeakPolarHBondContact O-CG 3.39Å; E841-R845 PolarHBondContact O-N 3.32Å; E841-R845 IonicContact OE1-CZ 3.8Å; E841-R845 IonicContact OE1-NE 3.01Å; E841-R845 PolarHBondContact OE1-NE 3.18Å; E841-R845 IonicContact OE1-NH1 3.23Å; E841-R845 IonicContact OE1-NH2 2.71Å; E841-R845 PolarHBondContact OE1-NH2 3.18Å; A842-R845 PolarHBondContact O-N 3.01Å; E843-R845 PolarHBondContact O-N 3.15Å; R845-G848 PolarHBondContact O-N 3.29Å; R845-L849 WeakPolarHBondContact O-CB 3.4Å; R845-L849 WeakPolarHBondContact O-CG 3.47Å; R845-L849 PolarHBondContact O-N 3.09Å; R845-M894 HydrophobicContact CB-CE 4.14Å; R845-M894 HydrophobicContact CG-CE 4.35Å |
| 846 | L | 89.3 | Confident | 85.6 | Confident | 59 Ų | 59 | 38.3 Ų | 38.3 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.8 | -48 | 174.8 | 178.4 | 63.8 | 0 | 0 | 0 | 110.5 | A842 E843 G848 L849 M850 A897 | A842-L846 WeakPolarHBondContact O-CB 3.5Å; A842-L846 PolarHBondContact O-N 3.09Å; E843-L846 WeakPolarHBondContact O-CB 3.33Å; E843-L846 PolarHBondContact O-N 3.07Å; L846-G848 PolarHBondContact O-N 3.49Å; L846-L849 PolarHBondContact O-N 2.85Å; L846-M850 HydrophobicContact CD1-CG 4.38Å; L846-M850 HydrophobicContact CD1-SD 4.26Å; L846-M850 HydrophobicContact CG-SD 4.04Å; L846-M850 WeakPolarHBondContact O-CB 3.29Å; L846-M850 VanDerWaalsContact O-CG 3.25Å; L846-M850 WeakPolarHBondContact O-CG 3.44Å; L846-M850 PolarHBondContact O-N 3.15Å; L846-A897 HydrophobicContact CD1-CB 3.35Å |
| 847 | R | 89.1 | Confident | 86.8 | Confident | 74 Ų | 74 | 41.9 Ų | 41.9 | 28% | 0.279 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.9 | -46.7 | 175.3 | -69.3 | 176 | -173.8 | -109.2 | 0.9 | 111.4 | E672 L759 E843 L844 L849 M850 L851 | E672-R847 IonicContact OE1-CZ 3.79Å; E672-R847 IonicContact OE1-NH2 3.86Å; E672-R847 PolarHBondContact OE1-NH2 3.2Å; L759-R847 HydrophobicContact CD2-CB 4.45Å; E843-R847 WeakPolarHBondContact O-CG 3.15Å; E843-R847 PolarHBondContact O-N 2.63Å; E843-R847 IonicContact OE1-CZ 3.99Å; E843-R847 IonicContact OE1-NE 3.23Å; E843-R847 PolarHBondContact OE1-NE 2.83Å; E843-R847 IonicContact OE1-NH2 3.61Å; E843-R847 PolarHBondContact OE1-NH2 3.1Å; L844-R847 PolarHBondContact O-N 2.76Å; R847-L849 PolarHBondContact O-N 3.34Å; R847-M850 PolarHBondContact O-N 3.18Å; R847-L851 WeakPolarHBondContact O-CG 3.48Å; R847-L851 PolarHBondContact O-N 2.84Å |
| 848 | G | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L844 R845 L846 L851 L852 | L844-G848 PolarHBondContact O-N 2.91Å; R845-G848 PolarHBondContact O-N 3.29Å; L846-G848 PolarHBondContact O-N 3.49Å; G848-L851 PolarHBondContact O-N 3Å; G848-L852 PolarHBondContact O-N 3.17Å |
| 849 | L | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.6 | -37.2 | 177 | -71.7 | 169.2 | 0 | 0 | 0 | 112.7 | L805 R845 L846 R847 L852 T853 V882 A897 A898 S901 | L805-L849 HydrophobicContact CD2-CD2 4.43Å; L805-L849 HydrophobicContact CD2-CG 4.09Å; R845-L849 WeakPolarHBondContact O-CB 3.4Å; R845-L849 WeakPolarHBondContact O-CG 3.47Å; R845-L849 PolarHBondContact O-N 3.09Å; L846-L849 PolarHBondContact O-N 2.85Å; R847-L849 PolarHBondContact O-N 3.34Å; L849-L852 PolarHBondContact O-N 3.11Å; L849-T853 WeakPolarHBondContact O-CB 3.4Å; L849-T853 PolarHBondContact O-N 3.45Å; L849-T853 PolarHBondContact O-OG1 3.1Å; L849-V882 HydrophobicContact CD1-CB 4.39Å; L849-V882 HydrophobicContact CD1-CG1 3.97Å; L849-V882 HydrophobicContact CD1-CG2 4.43Å; L849-A897 HydrophobicContact CB-CB 4.29Å; L849-A897 HydrophobicContact CD1-CB 4.03Å; L849-A898 HydrophobicContact CD1-CB 3.93Å; L849-S901 PolarHBondContact O-OG 3.16Å |
| 850 | M | 90.2 | Very high | 88.6 | Confident | 117 Ų | 117 | 39.9 Ų | 39.9 | 58% | 0.576 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63.1 | -42.5 | 173.5 | -74.2 | 177.3 | 65.7 | 0 | 0 | 111.4 | L846 R847 T853 K854 | L846-M850 HydrophobicContact CD1-CG 4.38Å; L846-M850 HydrophobicContact CD1-SD 4.26Å; L846-M850 HydrophobicContact CG-SD 4.04Å; L846-M850 WeakPolarHBondContact O-CB 3.29Å; L846-M850 VanDerWaalsContact O-CG 3.25Å; L846-M850 WeakPolarHBondContact O-CG 3.44Å; L846-M850 PolarHBondContact O-N 3.15Å; R847-M850 PolarHBondContact O-N 3.18Å; M850-T853 PolarHBondContact O-N 2.88Å; M850-K854 WeakPolarHBondContact O-CB 3.12Å; M850-K854 PolarHBondContact O-N 3.41Å |
| 851 | L | 91.8 | Very high | 88.9 | Confident | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 174.8 | -69 | 174.4 | 0 | 0 | 0 | 111.9 | L759 L766 L799 R847 G848 T853 K854 L855 | L759-L851 HydrophobicContact CD1-CD1 4.23Å; L766-L851 HydrophobicContact CB-CD2 4.48Å; L766-L851 HydrophobicContact CD1-CB 4.24Å; L766-L851 HydrophobicContact CD1-CD2 4.34Å; L799-L851 HydrophobicContact CD2-CB 4.14Å; L799-L851 HydrophobicContact CD2-CD1 3.85Å; R847-L851 WeakPolarHBondContact O-CG 3.48Å; R847-L851 PolarHBondContact O-N 2.84Å; G848-L851 PolarHBondContact O-N 3Å; L851-T853 VanDerWaalsContact C-N 3.32Å; L851-T853 PolarHBondContact O-N 3.33Å; L851-K854 WeakPolarHBondContact O-CB 3.42Å; L851-K854 PolarHBondContact O-N 3.19Å; L851-L855 WeakPolarHBondContact O-CG 3.38Å; L851-L855 PolarHBondContact O-N 3.2Å |
| 852 | L | 93.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 173.8 | 178.9 | 61.5 | 0 | 0 | 0 | 111.7 | L796 G848 L849 K854 L855 L878 I879 | L796-L852 HydrophobicContact CD2-CD1 3.79Å; G848-L852 PolarHBondContact O-N 3.17Å; L849-L852 PolarHBondContact O-N 3.11Å; L852-K854 VanDerWaalsContact C-N 3.32Å; L852-L855 WeakPolarHBondContact O-CB 3.14Å; L852-L855 PolarHBondContact O-N 3.07Å; L852-L878 HydrophobicContact CD1-CD1 4.28Å; L852-L878 HydrophobicContact CD2-CB 4.09Å; L852-L878 HydrophobicContact CD2-CD1 4.15Å; L852-I879 HydrophobicContact CD2-CD1 3.98Å; L852-I879 HydrophobicContact CD2-CG1 3.79Å |
| 853 | T | 91.8 | Very high | 89.5 | Confident | 30 Ų | 30 | 46 Ų | 46 | 18% | 0.184 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.4 | -49.6 | 0 | 0 | 0 | 0 | 110 | L849 M850 L851 L855 T856 T900 S901 A904 | L849-T853 WeakPolarHBondContact O-CB 3.4Å; L849-T853 PolarHBondContact O-N 3.45Å; L849-T853 PolarHBondContact O-OG1 3.1Å; M850-T853 PolarHBondContact O-N 2.88Å; L851-T853 VanDerWaalsContact C-N 3.32Å; L851-T853 PolarHBondContact O-N 3.33Å; T853-L855 VanDerWaalsContact C-N 3.28Å; T853-L855 PolarHBondContact O-N 3.16Å; T853-T856 WeakPolarHBondContact O-CB 3.31Å; T853-T856 PolarHBondContact O-N 3.37Å; T853-T856 PolarHBondContact O-OG1 2.99Å; T853-T900 HydrophobicContact CG2-CG2 4.34Å; T853-S901 PolarHBondContact OG1-OG 3.12Å; T853-A904 HydrophobicContact CG2-CB 4.05Å |
| 854 | K | 89.5 | Confident | 89.7 | Confident | 100 Ų | 100 | 45.3 Ų | 45.3 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.7 | -36.6 | 179 | -174.1 | 61.5 | -173.9 | 167.2 | 0 | 113.1 | M850 L851 L852 T856 D857 | M850-K854 WeakPolarHBondContact O-CB 3.12Å; M850-K854 PolarHBondContact O-N 3.41Å; L851-K854 WeakPolarHBondContact O-CB 3.42Å; L851-K854 PolarHBondContact O-N 3.19Å; L852-K854 VanDerWaalsContact C-N 3.32Å; K854-T856 PolarHBondContact O-N 2.97Å; K854-D857 VanDerWaalsContact CD-OD2 3.26Å; K854-D857 WeakPolarHBondContact CD-OD2 3.27Å; K854-D857 IonicContact NZ-OD2 2.77Å; K854-D857 PolarHBondContact NZ-OD2 3.11Å; K854-D857 VanDerWaalsContact O-CB 3.32Å; K854-D857 WeakPolarHBondContact O-CB 3.21Å; K854-D857 PolarHBondContact O-N 3.45Å; K854-D857 VanDerWaalsContact O-N 3.14Å |
| 855 | L | 91 | Very high | 89.8 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -31.1 | 175.3 | -72.2 | 173.3 | 0 | 0 | 0 | 112.6 | L766 L774 L792 L796 L799 L851 L852 T853 D857 N858 I861 L865 | L766-L855 HydrophobicContact CD1-CD2 4.45Å; L766-L855 HydrophobicContact CD2-CD2 4.11Å; L774-L855 HydrophobicContact CD1-CD2 3.84Å; L792-L855 HydrophobicContact CD1-CD1 4.44Å; L796-L855 HydrophobicContact CD2-CD1 4.07Å; L799-L855 HydrophobicContact CD1-CD1 4.33Å; L851-L855 WeakPolarHBondContact O-CG 3.38Å; L851-L855 PolarHBondContact O-N 3.2Å; L852-L855 WeakPolarHBondContact O-CB 3.14Å; L852-L855 PolarHBondContact O-N 3.07Å; T853-L855 VanDerWaalsContact C-N 3.28Å; T853-L855 PolarHBondContact O-N 3.16Å; L855-D857 VanDerWaalsContact C-N 3.3Å; L855-D857 PolarHBondContact O-N 3.09Å; L855-N858 PolarHBondContact O-N 2.86Å; L855-I861 HydrophobicContact CB-CG2 4.28Å; L855-I861 HydrophobicContact CD2-CD1 4.21Å; L855-L865 HydrophobicContact CB-CD1 4.26Å |
| 856 | T | 89.3 | Confident | 89.9 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76 | -16.2 | 179.8 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | T853 K854 N858 L865 A904 | T853-T856 WeakPolarHBondContact O-CB 3.31Å; T853-T856 PolarHBondContact O-N 3.37Å; T853-T856 PolarHBondContact O-OG1 2.99Å; K854-T856 PolarHBondContact O-N 2.97Å; T856-N858 PolarHBondContact O-N 3.41Å; T856-L865 HydrophobicContact CG2-CD1 4.03Å; T856-A904 HydrophobicContact CG2-CB 4.26Å; T856-A904 WeakPolarHBondContact OG1-CB 3.41Å |
| 857 | D | 87.5 | Confident | 90 | Very high | 104 Ų | 104 | 44.3 Ų | 44.3 | 56% | 0.556 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -29.5 | 175 | -67.9 | -4.4 | 0 | 0 | 0 | 111.3 | K854 L855 S859 | K854-D857 VanDerWaalsContact CD-OD2 3.26Å; K854-D857 WeakPolarHBondContact CD-OD2 3.27Å; K854-D857 IonicContact NZ-OD2 2.77Å; K854-D857 PolarHBondContact NZ-OD2 3.11Å; K854-D857 VanDerWaalsContact O-CB 3.32Å; K854-D857 WeakPolarHBondContact O-CB 3.21Å; K854-D857 PolarHBondContact O-N 3.45Å; K854-D857 VanDerWaalsContact O-N 3.14Å; L855-D857 VanDerWaalsContact C-N 3.3Å; L855-D857 PolarHBondContact O-N 3.09Å; D857-S859 PolarHBondContact O-N 3.38Å |
| 858 | N | 87.7 | Confident | 89.9 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -81 | 118.4 | 179.8 | -170.3 | -69.3 | 0 | 0 | 0 | 111.1 | G771 L855 T856 Q860 I861 R862 | G771-N858 VanDerWaalsContact CA-CG 3.42Å; G771-N858 VanDerWaalsContact CA-ND2 3.25Å; G771-N858 WeakPolarHBondContact CA-ND2 3.19Å; G771-N858 VanDerWaalsContact CA-OD1 3.25Å; G771-N858 WeakPolarHBondContact CA-OD1 3.04Å; G771-N858 PolarHBondContact N-ND2 2.68Å; L855-N858 PolarHBondContact O-N 2.86Å; T856-N858 PolarHBondContact O-N 3.41Å; N858-Q860 VanDerWaalsContact C-N 3.26Å; N858-Q860 PolarHBondContact O-N 3.41Å; N858-Q860 VanDerWaalsContact O-N 3.13Å; N858-Q860 PolarHBondContact OD1-N 2.81Å; N858-I861 HydrophobicContact CB-CB 4.12Å; N858-I861 HydrophobicContact CB-CD1 3.9Å; N858-I861 HydrophobicContact CB-CG1 4.02Å; N858-I861 PolarHBondContact O-N 3.22Å; N858-I861 PolarHBondContact OD1-N 2.71Å; N858-R862 VanDerWaalsContact O-CB 3.26Å; N858-R862 WeakPolarHBondContact O-CB 3.44Å; N858-R862 PolarHBondContact O-N 3.31Å |
| 859 | S | 86.3 | Confident | 89.8 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.7 | -30.7 | -175.2 | 63 | 0 | 0 | 0 | 0 | 115 | D857 K863 | D857-S859 PolarHBondContact O-N 3.38Å; S859-K863 WeakPolarHBondContact O-CG 3.49Å; S859-K863 PolarHBondContact O-N 3.23Å |
| 860 | Q | 86.8 | Confident | 89.8 | Confident | 91 Ų | 91 | 48.4 Ų | 48.4 | 43% | 0.425 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.9 | -47.1 | 178.7 | -62.1 | -65.4 | -6.5 | 0 | 0 | 110.9 | L775 N858 R862 K863 V864 | L775-Q860 HydrophobicContact CD1-CB 3.84Å; N858-Q860 VanDerWaalsContact C-N 3.26Å; N858-Q860 PolarHBondContact O-N 3.41Å; N858-Q860 VanDerWaalsContact O-N 3.13Å; N858-Q860 PolarHBondContact OD1-N 2.81Å; Q860-R862 VanDerWaalsContact C-N 3.29Å; Q860-R862 PolarHBondContact O-N 2.84Å; Q860-K863 WeakPolarHBondContact O-CB 3.4Å; Q860-K863 PolarHBondContact O-N 2.91Å; Q860-V864 PolarHBondContact O-N 2.88Å |
| 861 | I | 89.2 | Confident | 90 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 176.7 | -56.9 | 177.3 | 0 | 0 | 0 | 110 | L774 L775 L792 L855 N858 K863 V864 L865 | L774-I861 HydrophobicContact CB-CD1 4.21Å; L774-I861 HydrophobicContact CD1-CD1 3.75Å; L774-I861 HydrophobicContact CG-CD1 4.47Å; L775-I861 HydrophobicContact CD1-CG1 4.45Å; L775-I861 HydrophobicContact CD2-CG1 4.28Å; L775-I861 HydrophobicContact CG-CG1 4.4Å; L792-I861 HydrophobicContact CD1-CG2 4.05Å; L792-I861 HydrophobicContact CD2-CG2 4.22Å; L855-I861 HydrophobicContact CB-CG2 4.28Å; L855-I861 HydrophobicContact CD2-CD1 4.21Å; N858-I861 HydrophobicContact CB-CB 4.12Å; N858-I861 HydrophobicContact CB-CD1 3.9Å; N858-I861 HydrophobicContact CB-CG1 4.02Å; N858-I861 PolarHBondContact O-N 3.22Å; N858-I861 PolarHBondContact OD1-N 2.71Å; I861-K863 VanDerWaalsContact C-N 3.28Å; I861-K863 PolarHBondContact O-N 3.06Å; I861-V864 PolarHBondContact O-N 3.25Å; I861-L865 HydrophobicContact CG2-CD1 3.75Å; I861-L865 HydrophobicContact CG2-CG 3.96Å; I861-L865 WeakPolarHBondContact O-CB 3.34Å; I861-L865 WeakPolarHBondContact O-CG 3.45Å; I861-L865 PolarHBondContact O-N 3.18Å |
| 862 | R | 90.1 | Very high | 90 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 18% | 0.177 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.3 | -43.4 | 175.1 | -160 | -177.2 | 104.5 | 173.9 | 3.2 | 112.3 | N858 Q860 S866 S908 M912 H913 | N858-R862 VanDerWaalsContact O-CB 3.26Å; N858-R862 WeakPolarHBondContact O-CB 3.44Å; N858-R862 PolarHBondContact O-N 3.31Å; Q860-R862 VanDerWaalsContact C-N 3.29Å; Q860-R862 PolarHBondContact O-N 2.84Å; R862-S866 WeakPolarHBondContact O-CB 3.27Å; R862-S866 PolarHBondContact O-N 2.61Å; R862-S908 WeakPolarHBondContact CG-OG 3.32Å; R862-M912 PolarHBondContact NH2-O 3.36Å; R862-M912 VanDerWaalsContact NH2-O 3.16Å; R862-H913 PolarHBondContact NH1-CE1 2.95Å; R862-H913 PolarHBondContact NH1-ND1 3.31Å; R862-H913 PolarHBondContact NH2-CE1 3.26Å; R862-H913 VanDerWaalsContact NH2-CE1 3.29Å; R862-H913 PolarHBondContact NH2-NE2 3.06Å; R862-H913 VanDerWaalsContact NH2-NE2 3.15Å |
| 863 | K | 87 | Confident | 90 | Very high | 119 Ų | 119 | 47.1 Ų | 47.1 | 52% | 0.517 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.7 | -72.3 | 172.7 | -176.7 | -180 | 0 | 111.8 | S859 Q860 I861 S866 | S859-K863 WeakPolarHBondContact O-CG 3.49Å; S859-K863 PolarHBondContact O-N 3.23Å; Q860-K863 WeakPolarHBondContact O-CB 3.4Å; Q860-K863 PolarHBondContact O-N 2.91Å; I861-K863 VanDerWaalsContact C-N 3.28Å; I861-K863 PolarHBondContact O-N 3.06Å; K863-S866 WeakPolarHBondContact O-CB 3.42Å; K863-S866 PolarHBondContact O-N 2.96Å; K863-S866 PolarHBondContact O-OG 3.23Å |
| 864 | V | 89.6 | Confident | 90.1 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 30% | 0.303 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.8 | -42.8 | 179.4 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | L775 L792 Q860 I861 S866 S867 Y870 | L775-V864 HydrophobicContact CD1-CG2 4.1Å; L775-V864 HydrophobicContact CD2-CB 3.94Å; L775-V864 HydrophobicContact CD2-CG1 4.13Å; L775-V864 HydrophobicContact CD2-CG2 3.84Å; L792-V864 HydrophobicContact CD2-CB 4.43Å; L792-V864 HydrophobicContact CD2-CG1 3.93Å; Q860-V864 PolarHBondContact O-N 2.88Å; I861-V864 PolarHBondContact O-N 3.25Å; V864-S866 PolarHBondContact O-N 3.26Å; V864-S867 VanDerWaalsContact O-CB 3.27Å; V864-S867 WeakPolarHBondContact O-CB 3.16Å; V864-S867 PolarHBondContact O-N 2.98Å; V864-S867 PolarHBondContact O-OG 3.08Å; V864-Y870 HydrophobicContact CG1-CD2 4.1Å; V864-Y870 HydrophobicContact CG1-CE2 3.79Å |
| 865 | L | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -27.1 | 173.4 | -73.3 | 177.5 | 0 | 0 | 0 | 112.6 | L792 L796 L855 T856 I861 S867 Y870 L871 L905 | L792-L865 HydrophobicContact CD2-CD2 4.05Å; L792-L865 HydrophobicContact CD2-CG 4.31Å; L796-L865 HydrophobicContact CD1-CD2 4.07Å; L855-L865 HydrophobicContact CB-CD1 4.26Å; T856-L865 HydrophobicContact CG2-CD1 4.03Å; I861-L865 HydrophobicContact CG2-CD1 3.75Å; I861-L865 HydrophobicContact CG2-CG 3.96Å; I861-L865 WeakPolarHBondContact O-CB 3.34Å; I861-L865 WeakPolarHBondContact O-CG 3.45Å; I861-L865 PolarHBondContact O-N 3.18Å; L865-S867 PolarHBondContact O-N 3.25Å; L865-Y870 HydrophobicContact CD2-CD1 4.06Å; L865-Y870 HydrophobicContact CD2-CG 4.43Å; L865-L871 VanDerWaalsContact O-CD2 3.26Å; L865-L871 WeakPolarHBondContact O-CD2 3.16Å; L865-L905 HydrophobicContact CB-CD1 3.94Å |
| 866 | S | 90.2 | Very high | 90.4 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16 | 174.4 | 83.3 | 0 | 0 | 0 | 0 | 113.7 | R862 K863 V864 L871 S908 N973 | R862-S866 WeakPolarHBondContact O-CB 3.27Å; R862-S866 PolarHBondContact O-N 2.61Å; K863-S866 WeakPolarHBondContact O-CB 3.42Å; K863-S866 PolarHBondContact O-N 2.96Å; K863-S866 PolarHBondContact O-OG 3.23Å; V864-S866 PolarHBondContact O-N 3.26Å; S866-L871 WeakPolarHBondContact O-CD1 3.42Å; S866-S908 WeakPolarHBondContact CB-O 3.32Å; S866-N973 WeakPolarHBondContact O-CB 3.18Å; S866-N973 PolarHBondContact O-ND2 2.91Å; S866-N973 PolarHBondContact OG-ND2 3.19Å |
| 867 | S | 90.8 | Very high | 90.5 | Very high | 31 Ų | 31 | 46.7 Ų | 46.7 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -68.9 | 148.1 | -177.7 | 69.2 | 0 | 0 | 0 | 0 | 112 | V864 L865 K869 Y870 L871 | V864-S867 VanDerWaalsContact O-CB 3.27Å; V864-S867 WeakPolarHBondContact O-CB 3.16Å; V864-S867 PolarHBondContact O-N 2.98Å; V864-S867 PolarHBondContact O-OG 3.08Å; L865-S867 PolarHBondContact O-N 3.25Å; S867-K869 PolarHBondContact O-N 3.15Å; S867-K869 VanDerWaalsContact O-N 3.13Å; S867-Y870 PolarHBondContact O-N 3.27Å; S867-Y870 VanDerWaalsContact O-N 3.08Å; S867-Y870 WeakPolarHBondContact OG-CD2 3.43Å; S867-L871 WeakPolarHBondContact O-CG 3.47Å; S867-L871 PolarHBondContact O-N 3.15Å; S867-L871 VanDerWaalsContact O-N 3.07Å |
| 868 | P | 88.6 | Confident | 90.9 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 29% | 0.286 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.4 | -33.4 | -174.1 | -23.5 | 34.9 | 0 | 0 | 0 | 112.8 | N872 N973 S976 L977 | P868-N872 VanDerWaalsContact O-CB 3.3Å; P868-N872 WeakPolarHBondContact O-CB 3.32Å; P868-N872 PolarHBondContact O-N 2.76Å; P868-N872 PolarHBondContact O-ND2 2.83Å; P868-N973 HydrophobicContact CG-CB 4.48Å; P868-S976 WeakPolarHBondContact CG-OG 3.31Å; P868-L977 HydrophobicContact CB-CD2 4.22Å |
| 869 | K | 90.2 | Very high | 91.2 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.7 | -49.2 | 176 | 176.5 | -179.1 | 165.5 | -172.2 | 0 | 112.2 | E790 S867 Y873 | E790-K869 IonicContact OE1-NZ 3.44Å; E790-K869 PolarHBondContact OE1-NZ 3.49Å; E790-K869 IonicContact OE2-NZ 2.84Å; E790-K869 PolarHBondContact OE2-NZ 3.01Å; S867-K869 PolarHBondContact O-N 3.15Å; S867-K869 VanDerWaalsContact O-N 3.13Å; K869-Y873 PolarHBondContact O-N 2.89Å |
| 870 | Y | 93.6 | Very high | 91.5 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 6% | 0.059 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -76.7 | -34.8 | -178.1 | -80.1 | -88.6 | 0 | 0 | 0 | 112.3 | E790 L792 R793 L796 V864 L865 S867 Y873 C874 | E790-Y870 PolarHBondContact OE2-OH 3.36Å; L792-Y870 HydrophobicContact CB-CE1 4.34Å; L792-Y870 HydrophobicContact CD2-CD1 4.26Å; L792-Y870 HydrophobicContact CD2-CE1 3.75Å; L792-Y870 HydrophobicContact CG-CE1 3.83Å; R793-Y870 HydrophobicContact CB-CE1 4.42Å; L796-Y870 HydrophobicContact CD1-CD1 3.57Å; L796-Y870 HydrophobicContact CD1-CE1 3.76Å; V864-Y870 HydrophobicContact CG1-CD2 4.1Å; V864-Y870 HydrophobicContact CG1-CE2 3.79Å; L865-Y870 HydrophobicContact CD2-CD1 4.06Å; L865-Y870 HydrophobicContact CD2-CG 4.43Å; S867-Y870 PolarHBondContact O-N 3.27Å; S867-Y870 VanDerWaalsContact O-N 3.08Å; S867-Y870 WeakPolarHBondContact OG-CD2 3.43Å; Y870-Y873 PolarHBondContact O-N 3.27Å; Y870-C874 WeakPolarHBondContact O-CB 3.47Å; Y870-C874 PolarHBondContact O-N 2.95Å; Y870-C874 PolarHBondContact O-SG 2.94Å |
| 871 | L | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 173 | -63.4 | 179.7 | 0 | 0 | 0 | 111.9 | L865 S866 S867 Y873 C874 F875 L905 A909 N973 L977 | L865-L871 VanDerWaalsContact O-CD2 3.26Å; L865-L871 WeakPolarHBondContact O-CD2 3.16Å; S866-L871 WeakPolarHBondContact O-CD1 3.42Å; S867-L871 WeakPolarHBondContact O-CG 3.47Å; S867-L871 PolarHBondContact O-N 3.15Å; S867-L871 VanDerWaalsContact O-N 3.07Å; L871-Y873 PolarHBondContact O-N 3.47Å; L871-C874 PolarHBondContact O-N 3.34Å; L871-F875 HydrophobicContact CB-CD2 4.29Å; L871-F875 HydrophobicContact CB-CE2 4.45Å; L871-F875 HydrophobicContact CD2-CD2 4.44Å; L871-F875 HydrophobicContact CD2-CE2 3.92Å; L871-F875 WeakPolarHBondContact O-CD2 3.47Å; L871-F875 PolarHBondContact O-N 3.31Å; L871-F875 VanDerWaalsContact O-N 3.15Å; L871-L905 HydrophobicContact CD2-CD1 3.85Å; L871-L905 HydrophobicContact CD2-CD2 3.94Å; L871-L905 HydrophobicContact CD2-CG 3.62Å; L871-A909 HydrophobicContact CD1-CB 3.61Å; L871-A909 HydrophobicContact CD2-CB 4.12Å; L871-N973 HydrophobicContact CD1-CB 4.27Å; L871-L977 HydrophobicContact CB-CD1 4.44Å; L871-L977 HydrophobicContact CB-CD2 3.86Å; L871-L977 HydrophobicContact CD1-CD1 4.36Å; L871-L977 HydrophobicContact CD1-CD2 4.22Å |
| 872 | N | 91.3 | Very high | 91.7 | Very high | 64 Ų | 64 | 32.6 Ų | 32.6 | 34% | 0.342 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.6 | -20.2 | 175.9 | -82.1 | -58.8 | 0 | 0 | 0 | 113.6 | P868 P876 L981 | P868-N872 VanDerWaalsContact O-CB 3.3Å; P868-N872 WeakPolarHBondContact O-CB 3.32Å; P868-N872 PolarHBondContact O-N 2.76Å; P868-N872 PolarHBondContact O-ND2 2.83Å; N872-P876 VanDerWaalsContact O-CD 3.25Å; N872-P876 WeakPolarHBondContact O-CD 3.45Å; N872-P876 WeakPolarHBondContact O-CG 3.37Å; N872-L981 HydrophobicContact CB-CD2 4.39Å; N872-L981 WeakPolarHBondContact OD1-CD2 3.2Å |
| 873 | Y | 93.1 | Very high | 91.6 | Very high | 42 Ų | 42 | 30.4 Ų | 30.4 | 17% | 0.165 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -90.5 | -55.7 | 174.2 | 179.9 | -98.3 | 0 | 0 | 0 | 111.3 | L796 D797 E800 K869 Y870 L871 F875 K877 L878 | L796-Y873 HydrophobicContact CB-CD1 4.44Å; L796-Y873 HydrophobicContact CB-CE1 3.77Å; L796-Y873 HydrophobicContact CD1-CD1 4.4Å; D797-Y873 WeakPolarHBondContact CA-OH 3.4Å; E800-Y873 WeakPolarHBondContact OE2-CE2 3.29Å; E800-Y873 PolarHBondContact OE2-OH 3.16Å; K869-Y873 PolarHBondContact O-N 2.89Å; Y870-Y873 PolarHBondContact O-N 3.27Å; L871-Y873 PolarHBondContact O-N 3.47Å; Y873-F875 PolarHBondContact O-N 3.2Å; Y873-K877 HydrophobicContact CD2-CG 4.24Å; Y873-K877 HydrophobicContact CE2-CG 4.23Å; Y873-K877 VanDerWaalsContact O-CB 3.23Å; Y873-K877 WeakPolarHBondContact O-CB 3.4Å; Y873-K877 WeakPolarHBondContact O-CG 3.29Å; Y873-K877 PolarHBondContact O-N 3.25Å; Y873-K877 VanDerWaalsContact O-N 3.1Å; Y873-L878 HydrophobicContact CE1-CD1 4.27Å; Y873-L878 HydrophobicContact CE1-CD2 4.48Å; Y873-L878 HydrophobicContact CE1-CG 4.47Å |
| 874 | C | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | -171.1 | -64.3 | 0 | 0 | 0 | 0 | 113 | Y870 L871 L878 I879 L905 | Y870-C874 WeakPolarHBondContact O-CB 3.47Å; Y870-C874 PolarHBondContact O-N 2.95Å; Y870-C874 PolarHBondContact O-SG 2.94Å; L871-C874 PolarHBondContact O-N 3.34Å; C874-L878 HydrophobicContact CB-CD1 4.2Å; C874-L878 WeakPolarHBondContact O-CA 3.31Å; C874-L878 VanDerWaalsContact O-CB 3.26Å; C874-L878 WeakPolarHBondContact O-CB 3.35Å; C874-L878 PolarHBondContact O-N 2.97Å; C874-I879 PolarHBondContact O-N 2.85Å; C874-I879 VanDerWaalsContact O-N 3.15Å; C874-L905 HydrophobicContact CB-CD2 3.48Å; C874-L905 VanDerWaalsContact CB-CD2 3.48Å |
| 875 | F | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -65 | -60.3 | -178.6 | -79.5 | -65.2 | 0 | 0 | 0 | 111.6 | L871 Y873 K877 I879 L880 Y902 L905 L981 M985 | L871-F875 HydrophobicContact CB-CD2 4.29Å; L871-F875 HydrophobicContact CB-CE2 4.45Å; L871-F875 HydrophobicContact CD2-CD2 4.44Å; L871-F875 HydrophobicContact CD2-CE2 3.92Å; L871-F875 WeakPolarHBondContact O-CD2 3.47Å; L871-F875 PolarHBondContact O-N 3.31Å; L871-F875 VanDerWaalsContact O-N 3.15Å; Y873-F875 PolarHBondContact O-N 3.2Å; F875-K877 VanDerWaalsContact C-N 3.35Å; F875-K877 PolarHBondContact O-N 3.42Å; F875-I879 HydrophobicContact CD1-CB 4.49Å; F875-I879 HydrophobicContact CD1-CD1 4.16Å; F875-I879 HydrophobicContact CE1-CD1 4.28Å; F875-I879 PolarHBondContact O-N 3.44Å; F875-L880 HydrophobicContact CB-CD1 3.99Å; F875-L880 HydrophobicContact CB-CG 4.18Å; F875-L880 VanDerWaalsContact O-CB 3.28Å; F875-L880 WeakPolarHBondContact O-CB 3.42Å; F875-L880 WeakPolarHBondContact O-CG 3.4Å; F875-L880 PolarHBondContact O-N 3.1Å; F875-Y902 HydrophobicContact CD1-CD2 4.11Å; F875-Y902 HydrophobicContact CD1-CE2 4.07Å; F875-Y902 AromaticContact CE1-CD1 3.96Å; F875-Y902 HydrophobicContact CE1-CD1 3.96Å; F875-Y902 AromaticContact CE1-CD2 3.79Å; F875-Y902 HydrophobicContact CE1-CD2 3.79Å; F875-Y902 AromaticContact CE1-CE1 3.95Å; F875-Y902 HydrophobicContact CE1-CE1 3.95Å; F875-Y902 AromaticContact CE1-CE2 3.85Å; F875-Y902 HydrophobicContact CE1-CE2 3.85Å; F875-Y902 AromaticContact CE1-CG 3.85Å; F875-Y902 HydrophobicContact CE1-CG 3.85Å; F875-Y902 AromaticContact CE1-CZ 3.9Å; F875-Y902 HydrophobicContact CZ-CE1 4.41Å; F875-L905 HydrophobicContact CD1-CD2 4.44Å; F875-L905 HydrophobicContact CD2-CD2 4.04Å; F875-L905 HydrophobicContact CE1-CD2 4.22Å; F875-L905 HydrophobicContact CE2-CD2 3.83Å; F875-L905 HydrophobicContact CE2-CG 4.23Å; F875-L905 HydrophobicContact CG-CD2 4.34Å; F875-L905 HydrophobicContact CZ-CB 4.26Å; F875-L905 HydrophobicContact CZ-CD2 3.91Å; F875-L905 HydrophobicContact CZ-CG 4.15Å; F875-L981 HydrophobicContact CB-CD1 4.1Å; F875-M985 HydrophobicContact CB-CG 4.45Å; F875-M985 HydrophobicContact CD1-CE 4.13Å; F875-M985 HydrophobicContact CD1-CG 4.41Å; F875-M985 HydrophobicContact CD1-SD 4.44Å; F875-M985 HydrophobicContact CD2-CE 3.91Å; F875-M985 HydrophobicContact CD2-SD 3.84Å; F875-M985 HydrophobicContact CE1-CE 3.81Å; F875-M985 HydrophobicContact CE2-CE 3.54Å; F875-M985 HydrophobicContact CE2-SD 4.08Å; F875-M985 HydrophobicContact CG-CE 4.19Å; F875-M985 HydrophobicContact CG-CG 4.3Å; F875-M985 HydrophobicContact CG-SD 4.04Å; F875-M985 HydrophobicContact CZ-CE 3.5Å |
| 876 | P | 92.1 | Very high | 90.4 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 29% | 0.286 | 16% | 0.162 | S | C | . | . | I | π-helix | trans | -63.6 | -36.2 | -177.7 | -25.2 | 37.6 | 0 | 0 | 0 | 114.4 | N872 P881 L981 | N872-P876 VanDerWaalsContact O-CD 3.25Å; N872-P876 WeakPolarHBondContact O-CD 3.45Å; N872-P876 WeakPolarHBondContact O-CG 3.37Å; P876-P881 VanDerWaalsContact O-CD 3.27Å; P876-P881 WeakPolarHBondContact O-CD 3.12Å; P876-P881 WeakPolarHBondContact O-CG 3.34Å; P876-L981 HydrophobicContact CG-CD1 3.53Å |
| 877 | K | 91.9 | Very high | 89.7 | Confident | 98 Ų | 98 | 37 Ų | 37 | 43% | 0.426 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -94.6 | -33.3 | -170.1 | -61.9 | -66.8 | -169.9 | 165.7 | 0 | 114 | L805 N806 Y873 F875 | L805-K877 CarbonylContact C-O 3.6Å; L805-K877 VanDerWaalsContact C-O 3.27Å; N806-K877 WeakPolarHBondContact CA-O 3.38Å; N806-K877 PolarHBondContact N-O 3.49Å; Y873-K877 HydrophobicContact CD2-CG 4.24Å; Y873-K877 HydrophobicContact CE2-CG 4.23Å; Y873-K877 VanDerWaalsContact O-CB 3.23Å; Y873-K877 WeakPolarHBondContact O-CB 3.4Å; Y873-K877 WeakPolarHBondContact O-CG 3.29Å; Y873-K877 PolarHBondContact O-N 3.25Å; Y873-K877 VanDerWaalsContact O-N 3.1Å; F875-K877 VanDerWaalsContact C-N 3.35Å; F875-K877 PolarHBondContact O-N 3.42Å |
| 878 | L | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -109.2 | -38.4 | -171 | -49.2 | -179.8 | 0 | 0 | 0 | 113.2 | L796 E800 L805 L852 Y873 C874 | L796-L878 HydrophobicContact CD2-CD1 4.01Å; E800-L878 HydrophobicContact CB-CD2 3.56Å; E800-L878 HydrophobicContact CG-CD2 3.89Å; L805-L878 HydrophobicContact CB-CB 4.46Å; L805-L878 HydrophobicContact CB-CD2 4.19Å; L805-L878 HydrophobicContact CD1-CB 4.2Å; L805-L878 HydrophobicContact CD1-CD2 4.07Å; L852-L878 HydrophobicContact CD1-CD1 4.28Å; L852-L878 HydrophobicContact CD2-CB 4.09Å; L852-L878 HydrophobicContact CD2-CD1 4.15Å; Y873-L878 HydrophobicContact CE1-CD1 4.27Å; Y873-L878 HydrophobicContact CE1-CD2 4.48Å; Y873-L878 HydrophobicContact CE1-CG 4.47Å; C874-L878 HydrophobicContact CB-CD1 4.2Å; C874-L878 WeakPolarHBondContact O-CA 3.31Å; C874-L878 VanDerWaalsContact O-CB 3.26Å; C874-L878 WeakPolarHBondContact O-CB 3.35Å; C874-L878 PolarHBondContact O-N 2.97Å |
| 879 | I | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -104.7 | -56.5 | -167.2 | -58.8 | 175.5 | 0 | 0 | 0 | 111.9 | L852 C874 F875 P881 V882 C883 Y902 L905 | L852-I879 HydrophobicContact CD2-CD1 3.98Å; L852-I879 HydrophobicContact CD2-CG1 3.79Å; C874-I879 PolarHBondContact O-N 2.85Å; C874-I879 VanDerWaalsContact O-N 3.15Å; F875-I879 HydrophobicContact CD1-CB 4.49Å; F875-I879 HydrophobicContact CD1-CD1 4.16Å; F875-I879 HydrophobicContact CE1-CD1 4.28Å; F875-I879 PolarHBondContact O-N 3.44Å; I879-P881 VanDerWaalsContact C-CD 3.43Å; I879-V882 PolarHBondContact O-N 3.19Å; I879-V882 VanDerWaalsContact O-N 3.12Å; I879-C883 PolarHBondContact O-N 2.94Å; I879-C883 PolarHBondContact O-SG 3.25Å; I879-C883 VanDerWaalsContact O-SG 3.42Å; I879-Y902 HydrophobicContact CG2-CD2 3.88Å; I879-Y902 HydrophobicContact CG2-CG 4.29Å; I879-L905 HydrophobicContact CD1-CB 4.29Å; I879-L905 HydrophobicContact CD1-CD2 3.78Å |
| 880 | L | 92.9 | Very high | 88.5 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -32.8 | -170.9 | -62.6 | 176.6 | 0 | 0 | 0 | 115.1 | F875 V882 C883 Y902 L981 L984 M985 R988 | F875-L880 HydrophobicContact CB-CD1 3.99Å; F875-L880 HydrophobicContact CB-CG 4.18Å; F875-L880 VanDerWaalsContact O-CB 3.28Å; F875-L880 WeakPolarHBondContact O-CB 3.42Å; F875-L880 WeakPolarHBondContact O-CG 3.4Å; F875-L880 PolarHBondContact O-N 3.1Å; L880-V882 VanDerWaalsContact C-N 3.27Å; L880-V882 PolarHBondContact O-N 3.28Å; L880-C883 PolarHBondContact O-N 2.97Å; L880-Y902 HydrophobicContact CD2-CD2 4.15Å; L880-Y902 HydrophobicContact CD2-CE2 3.68Å; L880-L981 HydrophobicContact CD1-CD1 4.18Å; L880-L984 HydrophobicContact CD1-CB 4.46Å; L880-L984 HydrophobicContact CD1-CD2 3.79Å; L880-L984 HydrophobicContact CD1-CG 3.92Å; L880-M985 HydrophobicContact CD1-CG 4.05Å; L880-M985 HydrophobicContact CD2-CG 4.34Å; L880-R988 HydrophobicContact CB-CG 4.26Å; L880-R988 HydrophobicContact CD2-CB 3.86Å; L880-R988 HydrophobicContact CD2-CG 3.87Å |
| 881 | P | 90.6 | Very high | 88 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -31.9 | 174.8 | -24.5 | 35.9 | 0 | 0 | 0 | 113.3 | P876 I879 | P876-P881 VanDerWaalsContact O-CD 3.27Å; P876-P881 WeakPolarHBondContact O-CD 3.12Å; P876-P881 WeakPolarHBondContact O-CG 3.34Å; I879-P881 VanDerWaalsContact C-CD 3.43Å |
| 882 | V | 89.1 | Confident | 87.5 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -22.9 | 179.7 | -170.5 | 0 | 0 | 0 | 0 | 112 | L805 L849 I879 L880 V884 M894 A898 | L805-V882 HydrophobicContact CD2-CG2 4.5Å; L849-V882 HydrophobicContact CD1-CB 4.39Å; L849-V882 HydrophobicContact CD1-CG1 3.97Å; L849-V882 HydrophobicContact CD1-CG2 4.43Å; I879-V882 PolarHBondContact O-N 3.19Å; I879-V882 VanDerWaalsContact O-N 3.12Å; L880-V882 VanDerWaalsContact C-N 3.27Å; L880-V882 PolarHBondContact O-N 3.28Å; V882-V884 PolarHBondContact O-N 3.05Å; V882-M894 HydrophobicContact CG1-CB 3.94Å; V882-M894 HydrophobicContact CG1-CE 4.02Å; V882-A898 HydrophobicContact CB-CB 3.87Å; V882-A898 HydrophobicContact CG1-CB 3.85Å |
| 883 | C | 88.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -6.3 | 177.3 | -68.1 | 0 | 0 | 0 | 0 | 114.9 | I879 L880 W885 R988 L992 | I879-C883 PolarHBondContact O-N 2.94Å; I879-C883 PolarHBondContact O-SG 3.25Å; I879-C883 VanDerWaalsContact O-SG 3.42Å; L880-C883 PolarHBondContact O-N 2.97Å; C883-W885 PolarHBondContact O-N 3.48Å; C883-R988 HydrophobicContact CB-CB 4.21Å; C883-L992 HydrophobicContact CB-CD1 3.93Å; C883-L992 WeakPolarHBondContact O-CD2 3.29Å |
| 884 | V | 85.7 | Confident | 87 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -70.1 | 124.7 | -178 | -179.5 | 0 | 0 | 0 | 0 | 110.6 | V882 R886 | V882-V884 PolarHBondContact O-N 3.05Å; V884-R886 PolarHBondContact O-N 3.32Å |
| 885 | W | 80.2 | Confident | 86.8 | Confident | 120 Ų | 120 | 43.9 Ų | 43.9 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | trans | -61.7 | 135.6 | 179.4 | -176.6 | 93.4 | 0 | 0 | 0 | 112.2 | C883 A887 D996 | C883-W885 PolarHBondContact O-N 3.48Å; W885-A887 HydrophobicContact CH2-CB 4.12Å; W885-A887 HydrophobicContact CZ2-CB 4.44Å; W885-D996 PolarHBondContact NE1-OD2 3.1Å | ||
| 886 | R | 76.5 | Confident | 86.5 | Confident | 80 Ų | 80 | 49 Ų | 49 | 30% | 0.302 | 25% | 0.253 | S | S | . | . | trans | -150.8 | 145.8 | 173.5 | -62 | -173.7 | 178.7 | -160.5 | 4.2 | 109.7 | P809 V884 R895 | P809-R886 VanDerWaalsContact C-NH1 3.32Å; P809-R886 PolarHBondContact O-NH1 2.52Å; P809-R886 PolarHBondContact O-NH2 2.71Å; V884-R886 PolarHBondContact O-N 3.32Å; R886-R895 PolarHBondContact O-NH1 3.22Å | ||
| 887 | A | 77 | Confident | 86.5 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -68.2 | 141.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | W885 | W885-A887 HydrophobicContact CH2-CB 4.12Å; W885-A887 HydrophobicContact CZ2-CB 4.44Å |
| 888 | G | 82.1 | Confident | 86.6 | Confident | 36 Ų | 36 | 42.8 Ų | 42.8 | 37% | 0.371 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 121.8 | 146 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T890 S891 E892 | G888-T890 VanDerWaalsContact C-N 3.29Å; G888-T890 PolarHBondContact O-N 3.4Å; G888-S891 PolarHBondContact O-N 3.45Å; G888-E892 WeakPolarHBondContact O-CG 3.23Å; G888-E892 PolarHBondContact O-N 3.19Å |
| 889 | R | 80.7 | Confident | 86.6 | Confident | 218 Ų | 218 | 42.8 Ų | 42.8 | 82% | 0.823 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -55.3 | -40 | -176.6 | -65.1 | -178 | 179.8 | 176.8 | -0.1 | 113.5 | E892 A893 | R889-E892 WeakPolarHBondContact O-CB 3.43Å; R889-E892 PolarHBondContact O-N 2.9Å; R889-A893 PolarHBondContact O-N 3.02Å; R889-A893 VanDerWaalsContact O-N 3.07Å |
| 890 | T | 81.5 | Confident | 86.6 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 177.6 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | A842 G888 E892 A893 M894 | A842-T890 HydrophobicContact CB-CG2 3.06Å; G888-T890 VanDerWaalsContact C-N 3.29Å; G888-T890 PolarHBondContact O-N 3.4Å; T890-E892 VanDerWaalsContact C-N 3.33Å; T890-E892 PolarHBondContact O-N 3.22Å; T890-A893 PolarHBondContact O-N 2.75Å; T890-M894 WeakPolarHBondContact O-CG 3.45Å; T890-M894 PolarHBondContact O-N 2.67Å; T890-M894 VanDerWaalsContact O-N 3.12Å |
| 891 | S | 81.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.9 | -34.2 | 176.5 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | G888 M894 R895 | G888-S891 PolarHBondContact O-N 3.45Å; S891-M894 PolarHBondContact O-N 3.26Å; S891-R895 VanDerWaalsContact O-CG 3.32Å; S891-R895 WeakPolarHBondContact O-CG 3.09Å; S891-R895 PolarHBondContact O-N 3.13Å; S891-R895 PolarHBondContact O-NH1 3.42Å |
| 892 | E | 84.9 | Confident | 86.9 | Confident | 50 Ų | 50 | 44.5 Ų | 44.5 | 23% | 0.234 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 172.5 | -70.2 | 163.9 | -160 | 0 | 0 | 111.9 | G888 R889 T890 M894 R895 K896 | G888-E892 WeakPolarHBondContact O-CG 3.23Å; G888-E892 PolarHBondContact O-N 3.19Å; R889-E892 WeakPolarHBondContact O-CB 3.43Å; R889-E892 PolarHBondContact O-N 2.9Å; T890-E892 VanDerWaalsContact C-N 3.33Å; T890-E892 PolarHBondContact O-N 3.22Å; E892-M894 PolarHBondContact O-N 2.6Å; E892-R895 PolarHBondContact O-N 3.01Å; E892-K896 PolarHBondContact O-N 3.18Å |
| 893 | A | 85.8 | Confident | 87.2 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 40% | 0.397 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R889 T890 K896 A897 | R889-A893 PolarHBondContact O-N 3.02Å; R889-A893 VanDerWaalsContact O-N 3.07Å; T890-A893 PolarHBondContact O-N 2.75Å; A893-K896 PolarHBondContact O-N 2.84Å; A893-A897 PolarHBondContact O-N 3.31Å |
| 894 | M | 87 | Confident | 87.4 | Confident | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.049 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 175.5 | -68 | 170.9 | 66.7 | 0 | 0 | 112 | P809 A842 R845 V882 T890 S891 E892 K896 A897 A898 | P809-M894 HydrophobicContact CB-CE 4.48Å; P809-M894 HydrophobicContact CG-CE 4.22Å; A842-M894 HydrophobicContact CB-CG 3.9Å; A842-M894 HydrophobicContact CB-SD 3.42Å; A842-M894 WeakPolarHBondContact CB-SD 3.26Å; R845-M894 HydrophobicContact CB-CE 4.14Å; R845-M894 HydrophobicContact CG-CE 4.35Å; V882-M894 HydrophobicContact CG1-CB 3.94Å; V882-M894 HydrophobicContact CG1-CE 4.02Å; T890-M894 WeakPolarHBondContact O-CG 3.45Å; T890-M894 PolarHBondContact O-N 2.67Å; T890-M894 VanDerWaalsContact O-N 3.12Å; S891-M894 PolarHBondContact O-N 3.26Å; E892-M894 PolarHBondContact O-N 2.6Å; M894-K896 VanDerWaalsContact C-N 3.34Å; M894-K896 PolarHBondContact O-N 2.91Å; M894-A897 PolarHBondContact O-N 3.45Å; M894-A898 WeakPolarHBondContact O-CB 3.49Å; M894-A898 PolarHBondContact O-N 3.28Å |
| 895 | R | 90.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -37.8 | 177.8 | -70.2 | -171.7 | -42.7 | -96.8 | 8.7 | 112 | R886 S891 E892 A898 I899 L992 D995 | R886-R895 PolarHBondContact O-NH1 3.22Å; S891-R895 VanDerWaalsContact O-CG 3.32Å; S891-R895 WeakPolarHBondContact O-CG 3.09Å; S891-R895 PolarHBondContact O-N 3.13Å; S891-R895 PolarHBondContact O-NH1 3.42Å; E892-R895 PolarHBondContact O-N 3.01Å; R895-A898 PolarHBondContact O-N 2.85Å; R895-I899 WeakPolarHBondContact O-CG2 3.36Å; R895-I899 PolarHBondContact O-N 2.94Å; R895-L992 HydrophobicContact CB-CD2 4.2Å; R895-L992 HydrophobicContact CG-CD2 4.37Å; R895-D995 IonicContact CZ-OD1 2.67Å; R895-D995 IonicContact CZ-OD2 3.56Å; R895-D995 IonicContact NE-OD1 2.82Å; R895-D995 IonicContact NE-OD2 3.59Å; R895-D995 PolarHBondContact NE-OD2 3.37Å; R895-D995 VanDerWaalsContact NH2-CG 3.3Å; R895-D995 IonicContact NH2-OD1 2.6Å; R895-D995 PolarHBondContact NH2-OD1 3.02Å; R895-D995 IonicContact NH2-OD2 3.53Å; R895-D995 PolarHBondContact NH2-OD2 3.43Å |
| 896 | K | 90.3 | Very high | 88.4 | Confident | 106 Ų | 106 | 40 Ų | 40 | 46% | 0.461 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 173.6 | -169.5 | -175.1 | -179 | -177.7 | 0 | 111.9 | E892 A893 M894 I899 T900 L997 | E892-K896 PolarHBondContact O-N 3.18Å; A893-K896 PolarHBondContact O-N 2.84Å; M894-K896 VanDerWaalsContact C-N 3.34Å; M894-K896 PolarHBondContact O-N 2.91Å; K896-I899 VanDerWaalsContact O-CG2 3.24Å; K896-I899 WeakPolarHBondContact O-CG2 3.27Å; K896-T900 WeakPolarHBondContact O-CB 3.49Å; K896-T900 PolarHBondContact O-N 3.21Å; K896-T900 VanDerWaalsContact O-N 3.13Å; K896-T900 PolarHBondContact O-OG1 2.96Å; K896-L997 HydrophobicContact CB-CD2 4.07Å; K896-L997 HydrophobicContact CD-CD2 4.02Å; K896-L997 HydrophobicContact CG-CD2 4.3Å |
| 897 | A | 90.9 | Very high | 89.1 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L846 L849 A893 M894 I899 T900 S901 | L846-A897 HydrophobicContact CD1-CB 3.35Å; L849-A897 HydrophobicContact CB-CB 4.29Å; L849-A897 HydrophobicContact CD1-CB 4.03Å; A893-A897 PolarHBondContact O-N 3.31Å; M894-A897 PolarHBondContact O-N 3.45Å; A897-I899 PolarHBondContact O-N 3.29Å; A897-T900 WeakPolarHBondContact O-CB 3.35Å; A897-T900 PolarHBondContact O-N 3.49Å; A897-T900 VanDerWaalsContact O-N 3.08Å; A897-S901 PolarHBondContact O-N 3.5Å; A897-S901 PolarHBondContact O-OG 2.81Å |
| 898 | A | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L849 V882 M894 R895 T900 S901 Y902 | L849-A898 HydrophobicContact CD1-CB 3.93Å; V882-A898 HydrophobicContact CB-CB 3.87Å; V882-A898 HydrophobicContact CG1-CB 3.85Å; M894-A898 WeakPolarHBondContact O-CB 3.49Å; M894-A898 PolarHBondContact O-N 3.28Å; R895-A898 PolarHBondContact O-N 2.85Å; A898-T900 VanDerWaalsContact C-N 3.27Å; A898-T900 PolarHBondContact O-N 2.82Å; A898-S901 PolarHBondContact O-N 3.33Å; A898-Y902 VanDerWaalsContact O-CB 3.31Å; A898-Y902 WeakPolarHBondContact O-CB 3.42Å; A898-Y902 PolarHBondContact O-N 3.44Å |
| 899 | I | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.5 | -28.4 | 175.5 | -166.8 | 77.2 | 0 | 0 | 0 | 111.8 | R895 K896 A897 Y902 F903 L989 L992 T1000 L1003 A1004 C1007 | R895-I899 WeakPolarHBondContact O-CG2 3.36Å; R895-I899 PolarHBondContact O-N 2.94Å; K896-I899 VanDerWaalsContact O-CG2 3.24Å; K896-I899 WeakPolarHBondContact O-CG2 3.27Å; A897-I899 PolarHBondContact O-N 3.29Å; I899-Y902 WeakPolarHBondContact O-CB 3.33Å; I899-Y902 PolarHBondContact O-N 3.09Å; I899-F903 WeakPolarHBondContact O-CB 3.35Å; I899-F903 PolarHBondContact O-N 2.95Å; I899-L989 HydrophobicContact CD1-CD2 3.57Å; I899-L992 HydrophobicContact CB-CD1 4.29Å; I899-L992 HydrophobicContact CD1-CD1 3.55Å; I899-L992 HydrophobicContact CG1-CD1 4.36Å; I899-T1000 HydrophobicContact CG2-CG2 4.39Å; I899-L1003 HydrophobicContact CB-CB 4.41Å; I899-L1003 HydrophobicContact CG1-CB 3.6Å; I899-L1003 HydrophobicContact CG2-CB 3.87Å; I899-L1003 HydrophobicContact CG2-CD1 3.7Å; I899-L1003 HydrophobicContact CG2-CG 4.45Å; I899-A1004 HydrophobicContact CD1-CB 4.28Å; I899-C1007 HydrophobicContact CD1-CB 4.48Å |
| 900 | T | 93.9 | Very high | 90.4 | Very high | 54 Ų | 54 | 21.2 Ų | 21.2 | 33% | 0.331 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -68.3 | -47.1 | 173.8 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | T853 K896 A897 A898 Y902 F903 A904 | T853-T900 HydrophobicContact CG2-CG2 4.34Å; K896-T900 WeakPolarHBondContact O-CB 3.49Å; K896-T900 PolarHBondContact O-N 3.21Å; K896-T900 VanDerWaalsContact O-N 3.13Å; K896-T900 PolarHBondContact O-OG1 2.96Å; A897-T900 WeakPolarHBondContact O-CB 3.35Å; A897-T900 PolarHBondContact O-N 3.49Å; A897-T900 VanDerWaalsContact O-N 3.08Å; A898-T900 VanDerWaalsContact C-N 3.27Å; A898-T900 PolarHBondContact O-N 2.82Å; T900-Y902 VanDerWaalsContact C-N 3.32Å; T900-Y902 PolarHBondContact O-N 3.22Å; T900-F903 PolarHBondContact O-N 3.36Å; T900-A904 WeakPolarHBondContact O-CB 3.39Å; T900-A904 PolarHBondContact O-N 3.07Å |
| 901 | S | 94.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.5 | -38.2 | 173.5 | -51 | 0 | 0 | 0 | 0 | 112.1 | L849 T853 A897 A898 A904 L905 | L849-S901 PolarHBondContact O-OG 3.16Å; T853-S901 PolarHBondContact OG1-OG 3.12Å; A897-S901 PolarHBondContact O-N 3.5Å; A897-S901 PolarHBondContact O-OG 2.81Å; A898-S901 PolarHBondContact O-N 3.33Å; S901-A904 PolarHBondContact O-N 3.31Å; S901-L905 WeakPolarHBondContact O-CB 3.39Å; S901-L905 PolarHBondContact O-N 2.99Å |
| 902 | Y | 96.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.3 | -52.7 | 172.7 | -168.9 | -62.8 | 0 | 0 | 0 | 110.1 | F875 I879 L880 A898 I899 T900 A904 L905 L906 M985 L989 C1007 | F875-Y902 HydrophobicContact CD1-CD2 4.11Å; F875-Y902 HydrophobicContact CD1-CE2 4.07Å; F875-Y902 AromaticContact CE1-CD1 3.96Å; F875-Y902 HydrophobicContact CE1-CD1 3.96Å; F875-Y902 AromaticContact CE1-CD2 3.79Å; F875-Y902 HydrophobicContact CE1-CD2 3.79Å; F875-Y902 AromaticContact CE1-CE1 3.95Å; F875-Y902 HydrophobicContact CE1-CE1 3.95Å; F875-Y902 AromaticContact CE1-CE2 3.85Å; F875-Y902 HydrophobicContact CE1-CE2 3.85Å; F875-Y902 AromaticContact CE1-CG 3.85Å; F875-Y902 HydrophobicContact CE1-CG 3.85Å; F875-Y902 AromaticContact CE1-CZ 3.9Å; F875-Y902 HydrophobicContact CZ-CE1 4.41Å; I879-Y902 HydrophobicContact CG2-CD2 3.88Å; I879-Y902 HydrophobicContact CG2-CG 4.29Å; L880-Y902 HydrophobicContact CD2-CD2 4.15Å; L880-Y902 HydrophobicContact CD2-CE2 3.68Å; A898-Y902 VanDerWaalsContact O-CB 3.31Å; A898-Y902 WeakPolarHBondContact O-CB 3.42Å; A898-Y902 PolarHBondContact O-N 3.44Å; I899-Y902 WeakPolarHBondContact O-CB 3.33Å; I899-Y902 PolarHBondContact O-N 3.09Å; T900-Y902 VanDerWaalsContact C-N 3.32Å; T900-Y902 PolarHBondContact O-N 3.22Å; Y902-A904 PolarHBondContact O-N 3.35Å; Y902-L905 PolarHBondContact O-N 3.27Å; Y902-L906 HydrophobicContact CD1-CB 4.23Å; Y902-L906 HydrophobicContact CD1-CD2 4.46Å; Y902-L906 HydrophobicContact CE1-CB 4.29Å; Y902-L906 HydrophobicContact CE1-CD1 4.36Å; Y902-L906 HydrophobicContact CE1-CD2 4.08Å; Y902-L906 HydrophobicContact CE1-CG 4.48Å; Y902-L906 WeakPolarHBondContact O-CB 2.93Å; Y902-L906 PolarHBondContact O-N 3.37Å; Y902-M985 HydrophobicContact CE1-CE 4.28Å; Y902-M985 WeakPolarHBondContact OH-CB 3.35Å; Y902-M985 VanDerWaalsContact OH-CE 3.27Å; Y902-M985 WeakPolarHBondContact OH-CE 3.38Å; Y902-L989 HydrophobicContact CD1-CD2 4.35Å; Y902-L989 HydrophobicContact CE1-CD1 4.02Å; Y902-L989 HydrophobicContact CE1-CD2 4.01Å; Y902-L989 HydrophobicContact CE1-CG 4.26Å; Y902-L989 HydrophobicContact CE2-CD2 4.14Å; Y902-L989 HydrophobicContact CE2-CG 4.17Å; Y902-L989 VanDerWaalsContact OH-CD1 3.26Å; Y902-L989 WeakPolarHBondContact OH-CD1 3.33Å; Y902-C1007 HydrophobicContact CD1-CB 4.24Å; Y902-C1007 HydrophobicContact CE1-CB 4.23Å |
| 903 | F | 95 | Very high | 89.5 | Confident | 49 Ų | 49 | 23.3 Ų | 23.3 | 22% | 0.215 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | -178.5 | 179.9 | -113.2 | 0 | 0 | 0 | 111.6 | I899 T900 L905 L906 A907 M912 L1006 V1010 | I899-F903 WeakPolarHBondContact O-CB 3.35Å; I899-F903 PolarHBondContact O-N 2.95Å; T900-F903 PolarHBondContact O-N 3.36Å; F903-L905 PolarHBondContact O-N 2.63Å; F903-L906 PolarHBondContact O-N 3.35Å; F903-A907 WeakPolarHBondContact O-CB 3.45Å; F903-A907 PolarHBondContact O-N 3.22Å; F903-M912 HydrophobicContact CE2-CE 4.15Å; F903-M912 HydrophobicContact CZ-CE 3.87Å; F903-L1006 HydrophobicContact CD1-CD2 4.43Å; F903-L1006 HydrophobicContact CD2-CD2 3.95Å; F903-L1006 HydrophobicContact CD2-CG 4.1Å; F903-L1006 HydrophobicContact CE1-CD2 3.97Å; F903-L1006 HydrophobicContact CE2-CD1 4.45Å; F903-L1006 HydrophobicContact CE2-CD2 3.45Å; F903-L1006 VanDerWaalsContact CE2-CD2 3.45Å; F903-L1006 HydrophobicContact CE2-CG 3.55Å; F903-L1006 HydrophobicContact CG-CD2 4.42Å; F903-L1006 HydrophobicContact CZ-CD2 3.46Å; F903-L1006 VanDerWaalsContact CZ-CD2 3.46Å; F903-L1006 HydrophobicContact CZ-CG 4.02Å; F903-V1010 HydrophobicContact CE2-CG2 4.1Å |
| 904 | A | 92.5 | Very high | 89 | Confident | 17 Ų | 17 | 25 Ų | 25 | 14% | 0.14 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T853 T856 T900 S901 Y902 S908 | T853-A904 HydrophobicContact CG2-CB 4.05Å; T856-A904 HydrophobicContact CG2-CB 4.26Å; T856-A904 WeakPolarHBondContact OG1-CB 3.41Å; T900-A904 WeakPolarHBondContact O-CB 3.39Å; T900-A904 PolarHBondContact O-N 3.07Å; S901-A904 PolarHBondContact O-N 3.31Å; Y902-A904 PolarHBondContact O-N 3.35Å; A904-S908 PolarHBondContact O-N 2.83Å; A904-S908 VanDerWaalsContact O-N 3.13Å; A904-S908 PolarHBondContact O-OG 3.23Å |
| 905 | L | 93.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71 | -36.5 | 176.6 | -168.6 | 66.7 | 0 | 0 | 0 | 112.1 | L865 L871 C874 F875 I879 S901 Y902 F903 S908 A909 | L865-L905 HydrophobicContact CB-CD1 3.94Å; L871-L905 HydrophobicContact CD2-CD1 3.85Å; L871-L905 HydrophobicContact CD2-CD2 3.94Å; L871-L905 HydrophobicContact CD2-CG 3.62Å; C874-L905 HydrophobicContact CB-CD2 3.48Å; C874-L905 VanDerWaalsContact CB-CD2 3.48Å; F875-L905 HydrophobicContact CD1-CD2 4.44Å; F875-L905 HydrophobicContact CD2-CD2 4.04Å; F875-L905 HydrophobicContact CE1-CD2 4.22Å; F875-L905 HydrophobicContact CE2-CD2 3.83Å; F875-L905 HydrophobicContact CE2-CG 4.23Å; F875-L905 HydrophobicContact CG-CD2 4.34Å; F875-L905 HydrophobicContact CZ-CB 4.26Å; F875-L905 HydrophobicContact CZ-CD2 3.91Å; F875-L905 HydrophobicContact CZ-CG 4.15Å; I879-L905 HydrophobicContact CD1-CB 4.29Å; I879-L905 HydrophobicContact CD1-CD2 3.78Å; S901-L905 WeakPolarHBondContact O-CB 3.39Å; S901-L905 PolarHBondContact O-N 2.99Å; Y902-L905 PolarHBondContact O-N 3.27Å; F903-L905 PolarHBondContact O-N 2.63Å; L905-S908 VanDerWaalsContact O-CB 3.28Å; L905-S908 WeakPolarHBondContact O-CB 3.47Å; L905-S908 PolarHBondContact O-N 3.29Å; L905-A909 PolarHBondContact O-N 2.78Å |
| 906 | L | 93.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 175.6 | -174 | 72.6 | 0 | 0 | 0 | 111.6 | Y902 F903 S908 A909 V910 L974 M985 C1007 V1010 F1011 | Y902-L906 HydrophobicContact CD1-CB 4.23Å; Y902-L906 HydrophobicContact CD1-CD2 4.46Å; Y902-L906 HydrophobicContact CE1-CB 4.29Å; Y902-L906 HydrophobicContact CE1-CD1 4.36Å; Y902-L906 HydrophobicContact CE1-CD2 4.08Å; Y902-L906 HydrophobicContact CE1-CG 4.48Å; Y902-L906 WeakPolarHBondContact O-CB 2.93Å; Y902-L906 PolarHBondContact O-N 3.37Å; F903-L906 PolarHBondContact O-N 3.35Å; L906-S908 PolarHBondContact O-N 3.22Å; L906-A909 WeakPolarHBondContact O-CB 3.09Å; L906-A909 PolarHBondContact O-N 2.82Å; L906-A909 VanDerWaalsContact O-N 3.08Å; L906-V910 WeakPolarHBondContact O-CG2 3.19Å; L906-V910 PolarHBondContact O-N 3.4Å; L906-L974 HydrophobicContact CD1-CD1 3.79Å; L906-L974 HydrophobicContact CD1-CD2 3.88Å; L906-L974 HydrophobicContact CD1-CG 4.39Å; L906-M985 HydrophobicContact CD1-CE 4.34Å; L906-C1007 HydrophobicContact CD2-CB 4.1Å; L906-C1007 WeakPolarHBondContact CD2-O 3.43Å; L906-V1010 HydrophobicContact CD2-CB 3.76Å; L906-V1010 HydrophobicContact CD2-CG1 3.7Å; L906-V1010 HydrophobicContact CG-CB 4.43Å; L906-V1010 HydrophobicContact CG-CG1 3.81Å; L906-F1011 HydrophobicContact CD1-CD2 4.25Å; L906-F1011 HydrophobicContact CD2-CB 4.33Å |
| 907 | A | 90.3 | Very high | 87 | Confident | 12 Ų | 12 | 23.4 Ų | 23.4 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -34.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F903 S911 M912 | F903-A907 WeakPolarHBondContact O-CB 3.45Å; F903-A907 PolarHBondContact O-N 3.22Å; A907-S911 PolarHBondContact O-N 3.06Å; A907-M912 HydrophobicContact CB-CE 3.9Å; A907-M912 PolarHBondContact O-N 2.96Å |
| 908 | S | 89.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 4% | 0.035 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.5 | -45.2 | 172.3 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | R862 S866 A904 L905 L906 V910 S911 | R862-S908 WeakPolarHBondContact CG-OG 3.32Å; S866-S908 WeakPolarHBondContact CB-O 3.32Å; A904-S908 PolarHBondContact O-N 2.83Å; A904-S908 VanDerWaalsContact O-N 3.13Å; A904-S908 PolarHBondContact O-OG 3.23Å; L905-S908 VanDerWaalsContact O-CB 3.28Å; L905-S908 WeakPolarHBondContact O-CB 3.47Å; L905-S908 PolarHBondContact O-N 3.29Å; L906-S908 PolarHBondContact O-N 3.22Å; S908-V910 VanDerWaalsContact C-N 3.3Å; S908-V910 PolarHBondContact O-N 3Å; S908-S911 PolarHBondContact O-N 3.09Å |
| 909 | A | 89.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.6 | -32 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L871 L905 L906 S972 N973 L974 | L871-A909 HydrophobicContact CD1-CB 3.61Å; L871-A909 HydrophobicContact CD2-CB 4.12Å; L905-A909 PolarHBondContact O-N 2.78Å; L906-A909 WeakPolarHBondContact O-CB 3.09Å; L906-A909 PolarHBondContact O-N 2.82Å; L906-A909 VanDerWaalsContact O-N 3.08Å; A909-S972 WeakPolarHBondContact O-CA 3.42Å; A909-N973 PolarHBondContact O-N 2.92Å; A909-L974 HydrophobicContact CB-CD2 4.19Å; A909-L974 HydrophobicContact CB-CG 4.31Å |
| 910 | V | 88.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 7.9 | -179.2 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | L906 S908 M912 I918 L974 V1010 I1017 | L906-V910 WeakPolarHBondContact O-CG2 3.19Å; L906-V910 PolarHBondContact O-N 3.4Å; S908-V910 VanDerWaalsContact C-N 3.3Å; S908-V910 PolarHBondContact O-N 3Å; V910-M912 PolarHBondContact O-N 3.17Å; V910-M912 VanDerWaalsContact O-N 3.12Å; V910-I918 HydrophobicContact CB-CD1 4.34Å; V910-I918 HydrophobicContact CG1-CD1 3.5Å; V910-I918 HydrophobicContact CG1-CG1 4.4Å; V910-L974 HydrophobicContact CG2-CD1 3.5Å; V910-L974 HydrophobicContact CG2-CG 4.13Å; V910-V1010 HydrophobicContact CB-CG1 4.21Å; V910-V1010 HydrophobicContact CG1-CG1 4.49Å; V910-V1010 HydrophobicContact CG2-CG1 3.91Å; V910-I1017 HydrophobicContact CG1-CD1 3.64Å |
| 911 | S | 81.7 | Confident | 83.6 | Confident | 24 Ų | 24 | 23.9 Ų | 23.9 | 17% | 0.168 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 39.3 | -178 | -174.5 | 0 | 0 | 0 | 0 | 113.5 | A907 S908 | A907-S911 PolarHBondContact O-N 3.06Å; S908-S911 PolarHBondContact O-N 3.09Å |
| 912 | M | 75.6 | Confident | 82.8 | Confident | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.039 | 14% | 0.136 | C | C | . | . | trans | -97.3 | 142.5 | -174.7 | -173.8 | -169.8 | 70.2 | 0 | 0 | 111.5 | R862 F903 A907 V910 H914 I918 V1010 | R862-M912 PolarHBondContact NH2-O 3.36Å; R862-M912 VanDerWaalsContact NH2-O 3.16Å; F903-M912 HydrophobicContact CE2-CE 4.15Å; F903-M912 HydrophobicContact CZ-CE 3.87Å; A907-M912 HydrophobicContact CB-CE 3.9Å; A907-M912 PolarHBondContact O-N 2.96Å; V910-M912 PolarHBondContact O-N 3.17Å; V910-M912 VanDerWaalsContact O-N 3.12Å; M912-H914 VanDerWaalsContact CG-O 3.27Å; M912-H914 WeakPolarHBondContact CG-O 3.22Å; M912-I918 HydrophobicContact CB-CD1 4.02Å; M912-I918 HydrophobicContact CB-CG1 4.47Å; M912-I918 HydrophobicContact CG-CD1 3.82Å; M912-I918 HydrophobicContact CG-CG1 3.97Å; M912-I918 HydrophobicContact SD-CD1 3.28Å; M912-I918 WeakPolarHBondContact SD-CD1 3.23Å; M912-I918 HydrophobicContact SD-CG1 3.76Å; M912-V1010 HydrophobicContact CE-CG2 4.06Å; M912-V1010 HydrophobicContact SD-CG2 4Å | ||
| 913 | H | 70.7 | Confident | 82.2 | Confident | 139 Ų | 139 | 28.5 Ų | 28.5 | 64% | 0.644 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -111 | -33.3 | 166.6 | -69.5 | -84.6 | 0 | 0 | 0 | 112.5 | R862 E917 | R862-H913 PolarHBondContact NH1-CE1 2.95Å; R862-H913 PolarHBondContact NH1-ND1 3.31Å; R862-H913 PolarHBondContact NH2-CE1 3.26Å; R862-H913 VanDerWaalsContact NH2-CE1 3.29Å; R862-H913 PolarHBondContact NH2-NE2 3.06Å; R862-H913 VanDerWaalsContact NH2-NE2 3.15Å; H913-E917 PolarHBondContact N-OE2 3.31Å |
| 914 | H | 75.1 | Confident | 81.7 | Confident | 84 Ų | 84 | 29.1 Ų | 29.1 | 39% | 0.389 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -136.2 | 145.2 | 178.7 | -163.9 | 55.8 | 0 | 0 | 0 | 112.3 | M912 S916 E917 | M912-H914 VanDerWaalsContact CG-O 3.27Å; M912-H914 WeakPolarHBondContact CG-O 3.22Å; H914-S916 PolarHBondContact CD2-OG 3.12Å; H914-S916 PolarHBondContact O-N 2.89Å; H914-E917 HydrophobicContact CB-CG 4.28Å; H914-E917 PolarHBondContact N-OE2 3.2Å; H914-E917 VanDerWaalsContact O-CB 3.25Å; H914-E917 WeakPolarHBondContact O-CB 3.46Å; H914-E917 PolarHBondContact O-N 3.16Å; H914-E917 VanDerWaalsContact O-N 3.07Å |
| 915 | L | 75.9 | Confident | 81.2 | Confident | 41 Ų | 41 | 34.6 Ų | 34.6 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34.7 | -177.2 | -179.5 | 63.3 | 0 | 0 | 0 | 112.6 | E917 I918 V919 L1006 T1009 V1010 | L915-E917 PolarHBondContact O-N 3.41Å; L915-I918 PolarHBondContact O-N 3.46Å; L915-V919 HydrophobicContact CD1-CG2 4.04Å; L915-V919 HydrophobicContact CG-CG2 4.1Å; L915-V919 PolarHBondContact O-N 3Å; L915-L1006 HydrophobicContact CD1-CD1 3.53Å; L915-L1006 HydrophobicContact CD2-CD1 3.46Å; L915-L1006 VanDerWaalsContact CD2-CD1 3.46Å; L915-L1006 HydrophobicContact CG-CD1 4.03Å; L915-T1009 HydrophobicContact CD1-CG2 4.49Å; L915-V1010 HydrophobicContact CD1-CG2 4.08Å |
| 916 | S | 76.7 | Confident | 80.8 | Confident | 25 Ų | 25 | 37 Ų | 37 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -29.5 | 179.3 | 77 | 0 | 0 | 0 | 0 | 112.5 | H914 I918 V919 L920 L949 | H914-S916 PolarHBondContact CD2-OG 3.12Å; H914-S916 PolarHBondContact O-N 2.89Å; S916-I918 PolarHBondContact O-N 3.09Å; S916-V919 PolarHBondContact O-N 3.34Å; S916-L920 WeakPolarHBondContact O-CB 3.45Å; S916-L920 PolarHBondContact O-N 3.43Å; S916-L949 WeakPolarHBondContact CB-O 3.17Å |
| 917 | E | 73.6 | Confident | 80.5 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -30.9 | 179.8 | -65.8 | -179.3 | 150.1 | 0 | 0 | 112 | H913 H914 L915 N921 S967 P969 | H913-E917 PolarHBondContact N-OE2 3.31Å; H914-E917 HydrophobicContact CB-CG 4.28Å; H914-E917 PolarHBondContact N-OE2 3.2Å; H914-E917 VanDerWaalsContact O-CB 3.25Å; H914-E917 WeakPolarHBondContact O-CB 3.46Å; H914-E917 PolarHBondContact O-N 3.16Å; H914-E917 VanDerWaalsContact O-N 3.07Å; L915-E917 PolarHBondContact O-N 3.41Å; E917-N921 WeakPolarHBondContact CA-ND2 3.35Å; E917-N921 WeakPolarHBondContact O-CB 3.35Å; E917-N921 PolarHBondContact O-ND2 2.97Å; E917-N921 VanDerWaalsContact O-ND2 3.14Å; E917-S967 PolarHBondContact OE1-OG 2.85Å; E917-P969 WeakPolarHBondContact O-CD 3.44Å |
| 918 | I | 76.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -92.5 | -50.2 | -179.2 | -65.3 | -172.2 | 0 | 0 | 0 | 110.3 | V910 M912 L915 S916 L922 P969 V1010 N1013 | V910-I918 HydrophobicContact CB-CD1 4.34Å; V910-I918 HydrophobicContact CG1-CD1 3.5Å; V910-I918 HydrophobicContact CG1-CG1 4.4Å; M912-I918 HydrophobicContact CB-CD1 4.02Å; M912-I918 HydrophobicContact CB-CG1 4.47Å; M912-I918 HydrophobicContact CG-CD1 3.82Å; M912-I918 HydrophobicContact CG-CG1 3.97Å; M912-I918 HydrophobicContact SD-CD1 3.28Å; M912-I918 WeakPolarHBondContact SD-CD1 3.23Å; M912-I918 HydrophobicContact SD-CG1 3.76Å; L915-I918 PolarHBondContact O-N 3.46Å; S916-I918 PolarHBondContact O-N 3.09Å; I918-L922 HydrophobicContact CB-CD1 4.48Å; I918-L922 HydrophobicContact CG2-CD1 3.81Å; I918-L922 WeakPolarHBondContact O-CB 3.47Å; I918-L922 WeakPolarHBondContact O-CG 3.49Å; I918-L922 PolarHBondContact O-N 3.34Å; I918-P969 HydrophobicContact CG1-CG 4.32Å; I918-V1010 HydrophobicContact CD1-CB 4.4Å; I918-V1010 HydrophobicContact CD1-CG1 3.86Å; I918-V1010 HydrophobicContact CD1-CG2 4.23Å; I918-N1013 HydrophobicContact CG2-CB 3.08Å |
| 919 | V | 77.5 | Confident | 80.3 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.2 | -40.9 | -171.7 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | L915 S916 R923 L949 T1009 E1120 | L915-V919 HydrophobicContact CD1-CG2 4.04Å; L915-V919 HydrophobicContact CG-CG2 4.1Å; L915-V919 PolarHBondContact O-N 3Å; S916-V919 PolarHBondContact O-N 3.34Å; V919-R923 WeakPolarHBondContact O-CG 3.35Å; V919-L949 HydrophobicContact CG1-CD1 4.27Å; V919-L949 HydrophobicContact CG1-CD2 3.97Å; V919-T1009 HydrophobicContact CG2-CG2 3.85Å; V919-E1120 VanDerWaalsContact CG1-OE2 3.26Å; V919-E1120 WeakPolarHBondContact CG1-OE2 3.36Å |
| 920 | L | 76.6 | Confident | 80.3 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -36.5 | -175.3 | -64 | 179.1 | 0 | 0 | 0 | 113.2 | S916 R923 M946 L949 T950 | S916-L920 WeakPolarHBondContact O-CB 3.45Å; S916-L920 PolarHBondContact O-N 3.43Å; L920-R923 WeakPolarHBondContact O-CG 3.27Å; L920-R923 PolarHBondContact O-NE 2.95Å; L920-R923 PolarHBondContact O-NH2 2.71Å; L920-M946 HydrophobicContact CD2-SD 4.36Å; L920-L949 HydrophobicContact CD1-CB 4.35Å; L920-L949 WeakPolarHBondContact CD1-O 2.99Å; L920-L949 HydrophobicContact CD2-CB 4.09Å; L920-L949 HydrophobicContact CD2-CD1 4.44Å; L920-L949 HydrophobicContact CG-CB 4.38Å; L920-T950 HydrophobicContact CD1-CG2 3.46Å; L920-T950 VanDerWaalsContact CD1-CG2 3.46Å |
| 921 | N | 72.4 | Confident | 80.3 | Confident | 56 Ų | 56 | 43.6 Ų | 43.6 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -22.7 | -170.5 | -58.7 | -26.9 | 0 | 0 | 0 | 114 | E917 R923 F968 | E917-N921 WeakPolarHBondContact CA-ND2 3.35Å; E917-N921 WeakPolarHBondContact O-CB 3.35Å; E917-N921 PolarHBondContact O-ND2 2.97Å; E917-N921 VanDerWaalsContact O-ND2 3.14Å; N921-R923 VanDerWaalsContact C-N 3.26Å; N921-R923 PolarHBondContact O-N 3.45Å; N921-F968 HydrophobicContact CB-CD1 3.63Å; N921-F968 HydrophobicContact CB-CE1 3.78Å |
| 922 | L | 78 | Confident | 80.6 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -0.3 | 177.9 | -62.9 | 172.3 | 0 | 0 | 0 | 113 | I918 T924 N1013 I1017 R1127 | I918-L922 HydrophobicContact CB-CD1 4.48Å; I918-L922 HydrophobicContact CG2-CD1 3.81Å; I918-L922 WeakPolarHBondContact O-CB 3.47Å; I918-L922 WeakPolarHBondContact O-CG 3.49Å; I918-L922 PolarHBondContact O-N 3.34Å; L922-T924 PolarHBondContact O-N 3.34Å; L922-N1013 HydrophobicContact CD1-CB 3.88Å; L922-I1017 HydrophobicContact CD1-CD1 3.73Å; L922-I1017 HydrophobicContact CD1-CG1 3.62Å; L922-I1017 HydrophobicContact CD2-CD1 4.37Å; L922-I1017 HydrophobicContact CD2-CG1 3.88Å; L922-I1017 HydrophobicContact CG-CG1 4.41Å; L922-R1127 PolarHBondContact O-NH1 2.75Å |
| 923 | R | 83.8 | Confident | 81.4 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | trans | -61.2 | 132.5 | -179.3 | -69.2 | -178.5 | -68 | 179 | -1.4 | 110 | V919 L920 N921 E927 I928 D931 | V919-R923 WeakPolarHBondContact O-CG 3.35Å; L920-R923 WeakPolarHBondContact O-CG 3.27Å; L920-R923 PolarHBondContact O-NE 2.95Å; L920-R923 PolarHBondContact O-NH2 2.71Å; N921-R923 VanDerWaalsContact C-N 3.26Å; N921-R923 PolarHBondContact O-N 3.45Å; R923-E927 WeakPolarHBondContact CA-OE2 3.41Å; R923-E927 HydrophobicContact CB-CB 4.14Å; R923-I928 HydrophobicContact CB-CD1 4.44Å; R923-I928 HydrophobicContact CB-CG1 3.84Å; R923-D931 WeakPolarHBondContact CD-OD2 3.21Å; R923-D931 IonicContact CZ-OD2 3.15Å; R923-D931 IonicContact NE-OD2 2.83Å; R923-D931 IonicContact NH1-OD2 3.16Å; R923-D931 PolarHBondContact NH1-OD2 3.22Å | ||
| 924 | T | 83 | Confident | 82.3 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | trans | -68.7 | 161.4 | 169.2 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | L922 S926 E927 I928 | L922-T924 PolarHBondContact O-N 3.34Å; T924-S926 VanDerWaalsContact C-N 3.27Å; T924-S926 PolarHBondContact O-N 3.1Å; T924-S926 PolarHBondContact OG1-OG 3.48Å; T924-S926 VanDerWaalsContact OG1-OG 3.08Å; T924-E927 WeakPolarHBondContact CB-OE2 3.25Å; T924-E927 PolarHBondContact N-OE2 3.04Å; T924-E927 WeakPolarHBondContact O-CA 3.45Å; T924-E927 WeakPolarHBondContact O-CB 3.26Å; T924-E927 PolarHBondContact O-N 3.44Å; T924-E927 WeakPolarHBondContact OG1-CB 3.32Å; T924-E927 VanDerWaalsContact OG1-CD 3.27Å; T924-E927 WeakPolarHBondContact OG1-CG 3.47Å; T924-E927 PolarHBondContact OG1-N 2.93Å; T924-E927 PolarHBondContact OG1-OE2 3.24Å; T924-I928 WeakPolarHBondContact O-CG1 3.43Å; T924-I928 PolarHBondContact O-N 2.9Å | ||
| 925 | N | 83.3 | Confident | 83 | Confident | 133 Ų | 133 | 39 Ų | 39 | 71% | 0.711 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -59.2 | -38.9 | 178.8 | -70.3 | -30.3 | 0 | 0 | 0 | 112.5 | E927 I928 N929 | N925-E927 PolarHBondContact O-N 2.85Å; N925-I928 PolarHBondContact O-N 3.5Å; N925-N929 PolarHBondContact O-N 3.49Å; N925-N929 PolarHBondContact O-ND2 2.87Å; N925-N929 PolarHBondContact O-OD1 2.89Å |
| 926 | S | 84.6 | Confident | 83.6 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 35% | 0.35 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.8 | -34.6 | 175.7 | 61.2 | 0 | 0 | 0 | 0 | 111.1 | T924 N929 I930 Q1187 | T924-S926 VanDerWaalsContact C-N 3.27Å; T924-S926 PolarHBondContact O-N 3.1Å; T924-S926 PolarHBondContact OG1-OG 3.48Å; T924-S926 VanDerWaalsContact OG1-OG 3.08Å; S926-N929 PolarHBondContact O-N 3.41Å; S926-I930 WeakPolarHBondContact O-CG1 3.46Å; S926-I930 PolarHBondContact O-N 3.32Å; S926-I930 VanDerWaalsContact O-N 3.12Å; S926-Q1187 VanDerWaalsContact C-NE2 3.32Å; S926-Q1187 PolarHBondContact O-NE2 3.37Å; S926-Q1187 PolarHBondContact OG-NE2 3.29Å; S926-Q1187 PolarHBondContact OG-OE1 2.91Å |
| 927 | E | 88.2 | Confident | 84.1 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.4 | -39.5 | 177.8 | -74.2 | 177 | 120.5 | 0 | 0 | 113.6 | R923 T924 N925 N929 I930 D931 R1127 R1184 | R923-E927 WeakPolarHBondContact CA-OE2 3.41Å; R923-E927 HydrophobicContact CB-CB 4.14Å; T924-E927 WeakPolarHBondContact CB-OE2 3.25Å; T924-E927 PolarHBondContact N-OE2 3.04Å; T924-E927 WeakPolarHBondContact O-CA 3.45Å; T924-E927 WeakPolarHBondContact O-CB 3.26Å; T924-E927 PolarHBondContact O-N 3.44Å; T924-E927 WeakPolarHBondContact OG1-CB 3.32Å; T924-E927 VanDerWaalsContact OG1-CD 3.27Å; T924-E927 WeakPolarHBondContact OG1-CG 3.47Å; T924-E927 PolarHBondContact OG1-N 2.93Å; T924-E927 PolarHBondContact OG1-OE2 3.24Å; N925-E927 PolarHBondContact O-N 2.85Å; E927-N929 VanDerWaalsContact C-N 3.28Å; E927-N929 PolarHBondContact O-N 2.87Å; E927-I930 PolarHBondContact O-N 3.32Å; E927-D931 PolarHBondContact O-N 3.34Å; E927-R1127 VanDerWaalsContact CD-NE 3.27Å; E927-R1127 IonicContact OE1-CZ 3.29Å; E927-R1127 VanDerWaalsContact OE1-CZ 3.23Å; E927-R1127 IonicContact OE1-NE 3.49Å; E927-R1127 PolarHBondContact OE1-NE 3.08Å; E927-R1127 IonicContact OE1-NH2 2.81Å; E927-R1127 PolarHBondContact OE1-NH2 2.7Å; E927-R1127 IonicContact OE2-CZ 3.64Å; E927-R1127 IonicContact OE2-NE 3.61Å; E927-R1127 PolarHBondContact OE2-NE 3.29Å; E927-R1127 IonicContact OE2-NH1 3.9Å; E927-R1127 IonicContact OE2-NH2 3.78Å; E927-R1127 PolarHBondContact OE2-NH2 2.93Å; E927-R1184 VanDerWaalsContact CB-NH1 3.25Å; E927-R1184 VanDerWaalsContact CG-CZ 3.41Å; E927-R1184 PolarHBondContact O-NH1 3Å; E927-R1184 IonicContact OE1-CZ 2.87Å; E927-R1184 IonicContact OE1-NE 2.64Å; E927-R1184 PolarHBondContact OE1-NE 3.27Å |
| 928 | I | 87.4 | Confident | 84.6 | Confident | 55 Ų | 55 | 48.4 Ų | 48.4 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 172.3 | -65.4 | 167.8 | 0 | 0 | 0 | 109.9 | R923 T924 N925 I930 D931 N932 | R923-I928 HydrophobicContact CB-CD1 4.44Å; R923-I928 HydrophobicContact CB-CG1 3.84Å; T924-I928 WeakPolarHBondContact O-CG1 3.43Å; T924-I928 PolarHBondContact O-N 2.9Å; N925-I928 PolarHBondContact O-N 3.5Å; I928-I930 PolarHBondContact O-N 2.92Å; I928-D931 PolarHBondContact O-N 3.34Å; I928-N932 WeakPolarHBondContact O-CB 3.46Å; I928-N932 VanDerWaalsContact O-CG 3.23Å; I928-N932 PolarHBondContact O-N 3.48Å; I928-N932 PolarHBondContact O-ND2 3.2Å |
| 929 | N | 88.2 | Confident | 85.1 | Confident | 95 Ų | 95 | 48.5 Ų | 48.5 | 51% | 0.508 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 177.4 | -70.5 | -13.9 | 0 | 0 | 0 | 112.5 | N925 S926 E927 N932 W933 | N925-N929 PolarHBondContact O-N 3.49Å; N925-N929 PolarHBondContact O-ND2 2.87Å; N925-N929 PolarHBondContact O-OD1 2.89Å; S926-N929 PolarHBondContact O-N 3.41Å; E927-N929 VanDerWaalsContact C-N 3.28Å; E927-N929 PolarHBondContact O-N 2.87Å; N929-N932 PolarHBondContact O-N 3.46Å; N929-W933 WeakPolarHBondContact O-CB 3.23Å; N929-W933 PolarHBondContact O-N 3.1Å |
| 930 | I | 88.5 | Confident | 85.7 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -47.9 | 173.7 | -71.8 | 166.1 | 0 | 0 | 0 | 110.8 | S926 E927 I928 N932 W933 L934 L1183 Q1187 F1216 | S926-I930 WeakPolarHBondContact O-CG1 3.46Å; S926-I930 PolarHBondContact O-N 3.32Å; S926-I930 VanDerWaalsContact O-N 3.12Å; E927-I930 PolarHBondContact O-N 3.32Å; I928-I930 PolarHBondContact O-N 2.92Å; I930-N932 VanDerWaalsContact C-N 3.28Å; I930-N932 PolarHBondContact O-N 2.98Å; I930-W933 PolarHBondContact O-N 3.39Å; I930-L934 HydrophobicContact CG2-CD1 3.84Å; I930-L934 HydrophobicContact CG2-CG 4.35Å; I930-L934 VanDerWaalsContact O-CG 3.3Å; I930-L934 WeakPolarHBondContact O-CG 3.37Å; I930-L934 PolarHBondContact O-N 3.24Å; I930-L1183 HydrophobicContact CD1-CB 4.2Å; I930-L1183 VanDerWaalsContact CD1-O 3.26Å; I930-L1183 WeakPolarHBondContact CD1-O 3.37Å; I930-L1183 HydrophobicContact CG1-CB 4.33Å; I930-L1183 HydrophobicContact CG2-CB 3.64Å; I930-L1183 HydrophobicContact CG2-CD1 4.02Å; I930-L1183 HydrophobicContact CG2-CG 4.49Å; I930-Q1187 HydrophobicContact CD1-CG 3.9Å; I930-F1216 HydrophobicContact CG1-CE1 4.27Å; I930-F1216 HydrophobicContact CG1-CZ 3.73Å |
| 931 | D | 88.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | -179 | -69.9 | -6.4 | 0 | 0 | 0 | 110.3 | R923 E927 I928 L934 L935 R1180 R1184 | R923-D931 WeakPolarHBondContact CD-OD2 3.21Å; R923-D931 IonicContact CZ-OD2 3.15Å; R923-D931 IonicContact NE-OD2 2.83Å; R923-D931 IonicContact NH1-OD2 3.16Å; R923-D931 PolarHBondContact NH1-OD2 3.22Å; E927-D931 PolarHBondContact O-N 3.34Å; I928-D931 PolarHBondContact O-N 3.34Å; D931-L934 PolarHBondContact O-N 2.76Å; D931-L935 VanDerWaalsContact O-CG 3.3Å; D931-L935 WeakPolarHBondContact O-CG 3.36Å; D931-L935 PolarHBondContact O-N 2.93Å; D931-R1180 IonicContact OD1-CZ 3.65Å; D931-R1180 IonicContact OD1-NE 2.96Å; D931-R1180 PolarHBondContact OD1-NE 3.31Å; D931-R1180 IonicContact OD1-NH2 2.91Å; D931-R1180 IonicContact OD2-CZ 3.76Å; D931-R1180 IonicContact OD2-NE 3.77Å; D931-R1180 IonicContact OD2-NH2 2.88Å; D931-R1180 PolarHBondContact OD2-NH2 2.91Å; D931-R1184 IonicContact OD1-CZ 3.66Å; D931-R1184 IonicContact OD1-NH1 2.61Å; D931-R1184 PolarHBondContact OD1-NH1 3.46Å; D931-R1184 IonicContact OD1-NH2 3.74Å; D931-R1184 PolarHBondContact OD1-NH2 3.02Å; D931-R1184 IonicContact OD2-NH2 3.4Å; D931-R1184 PolarHBondContact OD2-NH2 3.35Å; D931-R1184 VanDerWaalsContact OD2-NH2 3.16Å |
| 932 | N | 88.8 | Confident | 87.1 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 175.2 | -72.6 | -17.9 | 0 | 0 | 0 | 112.7 | I928 N929 I930 L935 T936 | I928-N932 WeakPolarHBondContact O-CB 3.46Å; I928-N932 VanDerWaalsContact O-CG 3.23Å; I928-N932 PolarHBondContact O-N 3.48Å; I928-N932 PolarHBondContact O-ND2 3.2Å; N929-N932 PolarHBondContact O-N 3.46Å; I930-N932 VanDerWaalsContact C-N 3.28Å; I930-N932 PolarHBondContact O-N 2.98Å; N932-L935 PolarHBondContact O-N 3.04Å; N932-T936 WeakPolarHBondContact O-CB 3.34Å; N932-T936 PolarHBondContact O-N 3.2Å; N932-T936 PolarHBondContact O-OG1 3Å |
| 933 | W | 91.3 | Very high | 87.5 | Confident | 44 Ų | 44 | 51 Ų | 51 | 17% | 0.167 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 177.1 | -177.3 | 92 | 0 | 0 | 0 | 111.1 | N929 I930 L935 T936 N937 I939 L1183 K1212 L1213 F1216 | N929-W933 WeakPolarHBondContact O-CB 3.23Å; N929-W933 PolarHBondContact O-N 3.1Å; I930-W933 PolarHBondContact O-N 3.39Å; W933-L935 VanDerWaalsContact C-N 3.32Å; W933-L935 PolarHBondContact O-N 3.19Å; W933-T936 PolarHBondContact O-N 2.81Å; W933-N937 VanDerWaalsContact CD1-ND2 3.34Å; W933-N937 HydrophobicContact CZ2-CB 4.43Å; W933-N937 PolarHBondContact NE1-ND2 3.08Å; W933-N937 VanDerWaalsContact NE1-ND2 3.12Å; W933-N937 WeakPolarHBondContact O-CB 3.44Å; W933-N937 PolarHBondContact O-N 3Å; W933-N937 PolarHBondContact O-ND2 3.29Å; W933-I939 HydrophobicContact CH2-CD1 4.23Å; W933-I939 HydrophobicContact CH2-CG1 4.48Å; W933-I939 HydrophobicContact CZ3-CD1 4.2Å; W933-I939 HydrophobicContact CZ3-CG1 3.99Å; W933-L1183 HydrophobicContact CE3-CD1 3.83Å; W933-L1183 HydrophobicContact CZ3-CD1 3.88Å; W933-K1212 WeakPolarHBondContact CH2-O 3.47Å; W933-L1213 HydrophobicContact CZ3-CD2 4.25Å; W933-F1216 HydrophobicContact CB-CD2 4.25Å; W933-F1216 HydrophobicContact CB-CE2 3.97Å; W933-F1216 AromaticContact CD1-CD2 3.71Å; W933-F1216 HydrophobicContact CD2-CB 4.28Å; W933-F1216 AromaticContact CD2-CD2 3.3Å; W933-F1216 HydrophobicContact CD2-CD2 3.3Å; W933-F1216 AromaticContact CD2-CE2 3.94Å; W933-F1216 HydrophobicContact CD2-CE2 3.94Å; W933-F1216 HydrophobicContact CD2-CG 4.11Å; W933-F1216 AromaticContact CE2-CD2 3.51Å; W933-F1216 HydrophobicContact CE3-CB 4.29Å; W933-F1216 AromaticContact CE3-CD2 3.75Å; W933-F1216 HydrophobicContact CE3-CD2 3.75Å; W933-F1216 HydrophobicContact CE3-CE2 4.38Å; W933-F1216 HydrophobicContact CE3-CG 4.19Å; W933-F1216 AromaticContact CG-CD2 3.5Å; W933-F1216 HydrophobicContact CG-CD2 3.5Å; W933-F1216 VanDerWaalsContact CG-CD2 3.5Å; W933-F1216 AromaticContact CG-CE2 3.7Å; W933-F1216 HydrophobicContact CG-CE2 3.7Å; W933-F1216 HydrophobicContact CH2-CB 3.7Å; W933-F1216 HydrophobicContact CH2-CG 4.46Å; W933-F1216 HydrophobicContact CZ2-CB 3.64Å; W933-F1216 HydrophobicContact CZ2-CD2 4.15Å; W933-F1216 HydrophobicContact CZ2-CG 4.36Å; W933-F1216 HydrophobicContact CZ3-CB 4.01Å; W933-F1216 HydrophobicContact CZ3-CD2 4.33Å; W933-F1216 HydrophobicContact CZ3-CG 4.36Å; W933-F1216 AromaticContact NE1-CD2 3.69Å |
| 934 | L | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.1 | -69.9 | 168 | 0 | 0 | 0 | 111.8 | I930 D931 N938 I939 M942 R1180 L1183 | I930-L934 HydrophobicContact CG2-CD1 3.84Å; I930-L934 HydrophobicContact CG2-CG 4.35Å; I930-L934 VanDerWaalsContact O-CG 3.3Å; I930-L934 WeakPolarHBondContact O-CG 3.37Å; I930-L934 PolarHBondContact O-N 3.24Å; D931-L934 PolarHBondContact O-N 2.76Å; L934-N938 PolarHBondContact O-N 3.05Å; L934-I939 HydrophobicContact CD2-CB 3.96Å; L934-I939 HydrophobicContact CD2-CG1 3.87Å; L934-I939 HydrophobicContact CD2-CG2 3.99Å; L934-I939 PolarHBondContact O-N 3.46Å; L934-M942 HydrophobicContact CB-CG 3.86Å; L934-M942 HydrophobicContact CB-SD 4.19Å; L934-M942 HydrophobicContact CD1-CE 4.2Å; L934-M942 HydrophobicContact CD1-SD 4.11Å; L934-R1180 HydrophobicContact CD1-CB 3.79Å; L934-R1180 HydrophobicContact CD1-CG 3.87Å; L934-L1183 HydrophobicContact CD1-CD1 4.46Å; L934-L1183 HydrophobicContact CD2-CD1 3.69Å; L934-L1183 HydrophobicContact CG-CD1 4.05Å |
| 935 | L | 89.5 | Confident | 87.8 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66 | -51.3 | 175 | -72.7 | 169.1 | 0 | 0 | 0 | 111.6 | D931 N932 W933 N937 N938 M942 H943 M946 | D931-L935 VanDerWaalsContact O-CG 3.3Å; D931-L935 WeakPolarHBondContact O-CG 3.36Å; D931-L935 PolarHBondContact O-N 2.93Å; N932-L935 PolarHBondContact O-N 3.04Å; W933-L935 VanDerWaalsContact C-N 3.32Å; W933-L935 PolarHBondContact O-N 3.19Å; L935-N937 VanDerWaalsContact C-N 3.27Å; L935-N937 PolarHBondContact O-N 3.05Å; L935-N938 PolarHBondContact O-N 3.41Å; L935-M942 HydrophobicContact CD2-CB 4.33Å; L935-M942 HydrophobicContact CD2-CG 3.91Å; L935-M942 HydrophobicContact CG-CG 4.16Å; L935-H943 HydrophobicContact CD2-CB 4.48Å; L935-H943 PolarHBondContact O-CE1 2.68Å; L935-M946 HydrophobicContact CD1-CG 4.1Å; L935-M946 HydrophobicContact CD2-CB 4.15Å; L935-M946 HydrophobicContact CD2-CG 4.02Å; L935-M946 HydrophobicContact CG-CG 4.3Å |
| 936 | T | 88.3 | Confident | 87.8 | Confident | 112 Ų | 112 | 45 Ų | 45 | 69% | 0.687 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.4 | -36.2 | -176.1 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | N932 W933 N938 | N932-T936 WeakPolarHBondContact O-CB 3.34Å; N932-T936 PolarHBondContact O-N 3.2Å; N932-T936 PolarHBondContact O-OG1 3Å; W933-T936 PolarHBondContact O-N 2.81Å; T936-N938 VanDerWaalsContact C-N 3.28Å; T936-N938 PolarHBondContact O-N 3.33Å |
| 937 | N | 87.4 | Confident | 87.6 | Confident | 61 Ų | 61 | 48.3 Ų | 48.3 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 7.5 | 179 | -68.9 | -82.9 | 0 | 0 | 0 | 113.8 | W933 L935 I939 | W933-N937 VanDerWaalsContact CD1-ND2 3.34Å; W933-N937 HydrophobicContact CZ2-CB 4.43Å; W933-N937 PolarHBondContact NE1-ND2 3.08Å; W933-N937 VanDerWaalsContact NE1-ND2 3.12Å; W933-N937 WeakPolarHBondContact O-CB 3.44Å; W933-N937 PolarHBondContact O-N 3Å; W933-N937 PolarHBondContact O-ND2 3.29Å; L935-N937 VanDerWaalsContact C-N 3.27Å; L935-N937 PolarHBondContact O-N 3.05Å; N937-I939 VanDerWaalsContact C-N 3.28Å; N937-I939 HydrophobicContact CB-CD1 4.12Å; N937-I939 HydrophobicContact CB-CG1 4.13Å; N937-I939 PolarHBondContact O-N 3.49Å |
| 938 | N | 84.9 | Confident | 87.3 | Confident | 108 Ų | 108 | 52 Ų | 52 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 50.6 | -178.2 | -72.4 | -46.7 | 0 | 0 | 0 | 112 | L934 L935 T936 E940 H943 | L934-N938 PolarHBondContact O-N 3.05Å; L935-N938 PolarHBondContact O-N 3.41Å; T936-N938 VanDerWaalsContact C-N 3.28Å; T936-N938 PolarHBondContact O-N 3.33Å; N938-E940 PolarHBondContact O-N 2.99Å; N938-H943 PolarHBondContact OD1-CE1 3.19Å |
| 939 | I | 86 | Confident | 86.7 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | trans | -72.1 | 103.3 | 178.3 | -58.9 | -62.1 | 0 | 0 | 0 | 108.4 | W933 L934 N937 M942 L1209 K1212 | W933-I939 HydrophobicContact CH2-CD1 4.23Å; W933-I939 HydrophobicContact CH2-CG1 4.48Å; W933-I939 HydrophobicContact CZ3-CD1 4.2Å; W933-I939 HydrophobicContact CZ3-CG1 3.99Å; L934-I939 HydrophobicContact CD2-CB 3.96Å; L934-I939 HydrophobicContact CD2-CG1 3.87Å; L934-I939 HydrophobicContact CD2-CG2 3.99Å; L934-I939 PolarHBondContact O-N 3.46Å; N937-I939 VanDerWaalsContact C-N 3.28Å; N937-I939 HydrophobicContact CB-CD1 4.12Å; N937-I939 HydrophobicContact CB-CG1 4.13Å; N937-I939 PolarHBondContact O-N 3.49Å; I939-M942 VanDerWaalsContact O-CB 3.27Å; I939-M942 WeakPolarHBondContact O-CB 3.46Å; I939-M942 PolarHBondContact O-N 2.87Å; I939-L1209 HydrophobicContact CG2-CD1 3.76Å; I939-K1212 HydrophobicContact CD1-CB 4.12Å; I939-K1212 HydrophobicContact CD1-CD 3.7Å | ||
| 940 | E | 90.5 | Very high | 85.9 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -139.1 | 173.2 | -57.6 | -70.6 | -177.9 | 0 | 0 | 111.6 | N938 M942 S1172 R1175 A1176 L1209 | N938-E940 PolarHBondContact O-N 2.99Å; E940-M942 VanDerWaalsContact C-N 3.3Å; E940-M942 PolarHBondContact O-N 3.02Å; E940-S1172 WeakPolarHBondContact CB-O 3.32Å; E940-R1175 HydrophobicContact CG-CB 3.95Å; E940-R1175 IonicContact OE1-CZ 2.81Å; E940-R1175 IonicContact OE1-NE 3.67Å; E940-R1175 PolarHBondContact OE1-NE 3.37Å; E940-R1175 IonicContact OE1-NH2 3.23Å; E940-R1175 IonicContact OE2-CZ 3.27Å; E940-R1175 IonicContact OE2-NE 3.4Å; E940-R1175 PolarHBondContact OE2-NE 3.3Å; E940-R1175 IonicContact OE2-NH2 2.88Å; E940-R1175 PolarHBondContact OE2-NH2 2.82Å; E940-A1176 HydrophobicContact CB-CB 3.92Å; E940-L1209 HydrophobicContact CG-CD1 4.06Å; E940-L1209 HydrophobicContact CG-CD2 4.3Å |
| 941 | S | 89.4 | Confident | 84.6 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 33.5 | 178.6 | -68.4 | 0 | 0 | 0 | 0 | 113.6 | H943 E944 I945 S1172 | S941-H943 VanDerWaalsContact C-N 3.25Å; S941-H943 PolarHBondContact O-N 3.18Å; S941-E944 PolarHBondContact O-N 3.13Å; S941-E944 PolarHBondContact OG-OE1 2.69Å; S941-I945 PolarHBondContact O-N 2.74Å; S941-S1172 WeakPolarHBondContact OG-CB 3.48Å; S941-S1172 PolarHBondContact OG-OG 3.39Å |
| 942 | M | 89.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -34.1 | -178.2 | -169 | 70.1 | -163.7 | 0 | 0 | 113.4 | L934 L935 I939 E940 E944 I945 M946 A1176 R1180 | L934-M942 HydrophobicContact CB-CG 3.86Å; L934-M942 HydrophobicContact CB-SD 4.19Å; L934-M942 HydrophobicContact CD1-CE 4.2Å; L934-M942 HydrophobicContact CD1-SD 4.11Å; L935-M942 HydrophobicContact CD2-CB 4.33Å; L935-M942 HydrophobicContact CD2-CG 3.91Å; L935-M942 HydrophobicContact CG-CG 4.16Å; I939-M942 VanDerWaalsContact O-CB 3.27Å; I939-M942 WeakPolarHBondContact O-CB 3.46Å; I939-M942 PolarHBondContact O-N 2.87Å; E940-M942 VanDerWaalsContact C-N 3.3Å; E940-M942 PolarHBondContact O-N 3.02Å; M942-E944 PolarHBondContact O-N 3.41Å; M942-I945 PolarHBondContact O-N 2.77Å; M942-M946 HydrophobicContact CE-CE 3.28Å; M942-M946 HydrophobicContact CE-CG 3.66Å; M942-M946 HydrophobicContact CE-SD 4.15Å; M942-M946 HydrophobicContact CG-CG 4.45Å; M942-M946 WeakPolarHBondContact O-CB 3.32Å; M942-M946 PolarHBondContact O-N 2.98Å; M942-A1176 HydrophobicContact CB-CB 4.41Å; M942-A1176 HydrophobicContact SD-CB 4.42Å; M942-R1180 HydrophobicContact CE-CG 4.3Å |
| 943 | H | 86.8 | Confident | 80 | Confident | 95 Ų | 95 | 67 Ų | 67 | 44% | 0.44 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 176.8 | -74.5 | 86.2 | 0 | 0 | 0 | 112.3 | L935 N938 S941 M946 Q947 | L935-H943 HydrophobicContact CD2-CB 4.48Å; L935-H943 PolarHBondContact O-CE1 2.68Å; N938-H943 PolarHBondContact OD1-CE1 3.19Å; S941-H943 VanDerWaalsContact C-N 3.25Å; S941-H943 PolarHBondContact O-N 3.18Å; H943-M946 PolarHBondContact O-N 3.22Å; H943-Q947 VanDerWaalsContact O-CB 3.24Å; H943-Q947 WeakPolarHBondContact O-CB 3.39Å; H943-Q947 PolarHBondContact O-N 3.19Å |
| 944 | E | 86.3 | Confident | 77.2 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 46% | 0.458 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 177.9 | -64.9 | 170.3 | -151.5 | 0 | 0 | 111.3 | S941 M942 Q947 E948 R1173 | S941-E944 PolarHBondContact O-N 3.13Å; S941-E944 PolarHBondContact OG-OE1 2.69Å; M942-E944 PolarHBondContact O-N 3.41Å; E944-Q947 WeakPolarHBondContact O-CB 3.35Å; E944-Q947 PolarHBondContact O-N 2.59Å; E944-E948 PolarHBondContact O-N 3.06Å; E944-R1173 WeakPolarHBondContact OE2-CD 3.41Å |
| 945 | I | 85.8 | Confident | 74.2 | Confident | 10 Ų | 10 | 79.3 Ų | 79.3 | 5% | 0.051 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 178.9 | -64.3 | 163.9 | 0 | 0 | 0 | 110.8 | S941 M942 Q947 E948 L949 R1173 A1176 S1177 | S941-I945 PolarHBondContact O-N 2.74Å; M942-I945 PolarHBondContact O-N 2.77Å; I945-Q947 VanDerWaalsContact C-N 3.29Å; I945-Q947 PolarHBondContact O-N 2.7Å; I945-E948 PolarHBondContact O-N 3.11Å; I945-L949 HydrophobicContact CG2-CD1 4.07Å; I945-L949 WeakPolarHBondContact O-CB 3.13Å; I945-L949 WeakPolarHBondContact O-CG 3.4Å; I945-L949 PolarHBondContact O-N 3.32Å; I945-R1173 HydrophobicContact CD1-CB 4.26Å; I945-R1173 VanDerWaalsContact CD1-O 3.29Å; I945-R1173 WeakPolarHBondContact CD1-O 3.14Å; I945-R1173 HydrophobicContact CG1-CB 4.35Å; I945-R1173 HydrophobicContact CG1-CG 4.37Å; I945-A1176 HydrophobicContact CD1-CB 3.49Å; I945-A1176 VanDerWaalsContact CD1-CB 3.49Å; I945-S1177 WeakPolarHBondContact CD1-OG 3.41Å |
| 946 | M | 83.3 | Confident | 71.1 | Confident | 15 Ų | 15 | 82.3 Ų | 82.3 | 7% | 0.074 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.9 | -33.4 | 177.9 | -76.5 | -70.4 | 132.5 | 0 | 0 | 111.5 | L920 L935 M942 H943 L949 T950 | L920-M946 HydrophobicContact CD2-SD 4.36Å; L935-M946 HydrophobicContact CD1-CG 4.1Å; L935-M946 HydrophobicContact CD2-CB 4.15Å; L935-M946 HydrophobicContact CD2-CG 4.02Å; L935-M946 HydrophobicContact CG-CG 4.3Å; M942-M946 HydrophobicContact CE-CE 3.28Å; M942-M946 HydrophobicContact CE-CG 3.66Å; M942-M946 HydrophobicContact CE-SD 4.15Å; M942-M946 HydrophobicContact CG-CG 4.45Å; M942-M946 WeakPolarHBondContact O-CB 3.32Å; M942-M946 PolarHBondContact O-N 2.98Å; H943-M946 PolarHBondContact O-N 3.22Å; M946-L949 HydrophobicContact CE-CD1 3.69Å; M946-L949 PolarHBondContact O-N 3.33Å; M946-T950 WeakPolarHBondContact O-CB 3.45Å; M946-T950 VanDerWaalsContact O-CG2 3.25Å; M946-T950 WeakPolarHBondContact O-CG2 3.31Å; M946-T950 PolarHBondContact O-N 2.78Å; M946-T950 PolarHBondContact O-OG1 3.38Å |
| 947 | Q | 81.8 | Confident | 68.2 | Low | 118 Ų | 118 | 83.8 Ų | 83.8 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.4 | -44 | 172.2 | -172.4 | 175.7 | 2.7 | 0 | 0 | 112.1 | H943 E944 I945 T950 N951 | H943-Q947 VanDerWaalsContact O-CB 3.24Å; H943-Q947 WeakPolarHBondContact O-CB 3.39Å; H943-Q947 PolarHBondContact O-N 3.19Å; E944-Q947 WeakPolarHBondContact O-CB 3.35Å; E944-Q947 PolarHBondContact O-N 2.59Å; I945-Q947 VanDerWaalsContact C-N 3.29Å; I945-Q947 PolarHBondContact O-N 2.7Å; Q947-T950 WeakPolarHBondContact CA-OG1 3.42Å; Q947-T950 PolarHBondContact O-N 2.64Å; Q947-T950 PolarHBondContact O-OG1 3.33Å; Q947-N951 PolarHBondContact O-N 3.38Å |
| 948 | E | 80.8 | Confident | 65.4 | Low | 81 Ų | 81 | 88.1 Ų | 88.1 | 38% | 0.379 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 175.8 | -170.4 | 178.1 | 167.2 | 0 | 0 | 111.9 | E944 I945 N951 Q1113 | E944-E948 PolarHBondContact O-N 3.06Å; I945-E948 PolarHBondContact O-N 3.11Å; E948-N951 PolarHBondContact O-OD1 3.23Å; E948-N951 VanDerWaalsContact O-OD1 3.09Å; E948-Q1113 PolarHBondContact OE1-NE2 3.14Å; E948-Q1113 VanDerWaalsContact OE1-NE2 3.12Å |
| 949 | L | 75.2 | Confident | 62.6 | Low | 22 Ų | 22 | 91 Ų | 91 | 12% | 0.115 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -73.5 | -31 | 176.1 | -72.6 | 173 | 0 | 0 | 0 | 113.2 | S916 V919 L920 I945 M946 | S916-L949 WeakPolarHBondContact CB-O 3.17Å; V919-L949 HydrophobicContact CG1-CD1 4.27Å; V919-L949 HydrophobicContact CG1-CD2 3.97Å; L920-L949 HydrophobicContact CD1-CB 4.35Å; L920-L949 WeakPolarHBondContact CD1-O 2.99Å; L920-L949 HydrophobicContact CD2-CB 4.09Å; L920-L949 HydrophobicContact CD2-CD1 4.44Å; L920-L949 HydrophobicContact CG-CB 4.38Å; I945-L949 HydrophobicContact CG2-CD1 4.07Å; I945-L949 WeakPolarHBondContact O-CB 3.13Å; I945-L949 WeakPolarHBondContact O-CG 3.4Å; I945-L949 PolarHBondContact O-N 3.32Å; M946-L949 HydrophobicContact CE-CD1 3.69Å; M946-L949 PolarHBondContact O-N 3.33Å |
| 950 | T | 71.7 | Confident | 59.8 | Low | 80 Ų | 80 | 98 Ų | 98 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -88.2 | -18.6 | -178.9 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | L920 M946 Q947 | L920-T950 HydrophobicContact CD1-CG2 3.46Å; L920-T950 VanDerWaalsContact CD1-CG2 3.46Å; M946-T950 WeakPolarHBondContact O-CB 3.45Å; M946-T950 VanDerWaalsContact O-CG2 3.25Å; M946-T950 WeakPolarHBondContact O-CG2 3.31Å; M946-T950 PolarHBondContact O-N 2.78Å; M946-T950 PolarHBondContact O-OG1 3.38Å; Q947-T950 WeakPolarHBondContact CA-OG1 3.42Å; Q947-T950 PolarHBondContact O-N 2.64Å; Q947-T950 PolarHBondContact O-OG1 3.33Å |
| 951 | N | 61.5 | Low | 56.7 | Low | 91 Ų | 91 | 99 Ų | 99 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | trans | 35 | 105.1 | -178 | -90.9 | -12 | 0 | 0 | 0 | 116.4 | Q947 E948 E953 | Q947-N951 PolarHBondContact O-N 3.38Å; E948-N951 PolarHBondContact O-OD1 3.23Å; E948-N951 VanDerWaalsContact O-OD1 3.09Å; N951-E953 PolarHBondContact O-N 3.13Å | ||
| 952 | K | 41.2 | Very low | 53.8 | Low | 181 Ų | 181 | 105.7 Ų | 105.7 | 79% | 0.787 | 56% | 0.558 | S | S | * | * | trans | -86.6 | 91.1 | 158.2 | -74.3 | -174.6 | 174.2 | -175.1 | 0 | 109.8 | ||||
| 953 | E | 39.2 | Very low | 51 | Low | 173 Ų | 173 | 112.1 Ų | 112.1 | 81% | 0.808 | 59% | 0.592 | S | S | * | * | trans | -123.2 | 85.3 | 145.5 | -80.9 | -171.2 | 168.1 | 0 | 0 | 107.2 | N951 V955 | N951-E953 PolarHBondContact O-N 3.13Å; E953-V955 PolarHBondContact O-N 3.32Å | ||
| 954 | E | 31.5 | Very low | 48.3 | Very low | 178 Ų | 178 | 112 Ų | 112 | 83% | 0.832 | 62% | 0.616 | S | S | * | * | trans | -61 | 85.4 | 148.3 | -72.7 | 174.9 | 151.7 | 0 | 0 | 107 | C956 | E954-C956 PolarHBondContact O-N 3.43Å; E954-C956 VanDerWaalsContact O-N 3.16Å | ||
| 955 | V | 28.1 | Very low | 45.8 | Very low | 123 Ų | 123 | 112.9 Ų | 112.9 | 75% | 0.745 | 62% | 0.623 | S | S | * | * | trans | -72.8 | 97.6 | 147.3 | 176 | 0 | 0 | 0 | 0 | 104.7 | E953 D957 | E953-V955 PolarHBondContact O-N 3.32Å; V955-D957 PolarHBondContact O-N 3.13Å; V955-D957 VanDerWaalsContact O-N 3.09Å | ||
| 956 | C | 24.3 | Very low | 43.7 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 68% | 0.676 | 65% | 0.652 | S | S | * | * | trans | -45.5 | 112.4 | 159.2 | -59.4 | 0 | 0 | 0 | 0 | 108.8 | E954 | E954-C956 PolarHBondContact O-N 3.43Å; E954-C956 VanDerWaalsContact O-N 3.16Å | ||
| 957 | D | 27.9 | Very low | 42 | Very low | 144 Ų | 144 | 121.2 Ų | 121.2 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | trans | 178.5 | 88.4 | 135.4 | -89.4 | -16.6 | 0 | 0 | 0 | 107.6 | V955 | V955-D957 PolarHBondContact O-N 3.13Å; V955-D957 VanDerWaalsContact O-N 3.09Å | ||
| 958 | N | 27.3 | Very low | 40.6 | Very low | 151 Ų | 151 | 120.5 Ų | 120.5 | 81% | 0.807 | 66% | 0.664 | S | S | * | * | 171.8 | 112.2 | 127.5 | -85.4 | -38.3 | 0 | 0 | 0 | 109.2 | N960 | N958-N960 VanDerWaalsContact C-N 3.3Å; N958-N960 PolarHBondContact O-N 3.49Å | |||
| 959 | N | 25.8 | Very low | 39.4 | Very low | 169 Ų | 169 | 117.2 Ų | 117.2 | 90% | 0.904 | 65% | 0.649 | S | S | * | * | trans | -54.3 | 88 | 166.4 | -67.9 | -42.3 | 0 | 0 | 0 | 110.7 | ||||
| 960 | N | 27.2 | Very low | 38.9 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 80% | 0.802 | 68% | 0.679 | S | S | * | * | trans | -130 | 92 | 160 | -90.2 | -24.8 | 0 | 0 | 0 | 108.8 | N958 | N958-N960 VanDerWaalsContact C-N 3.3Å; N958-N960 PolarHBondContact O-N 3.49Å | ||
| 961 | A | 26.3 | Very low | 39.3 | Very low | 87 Ų | 87 | 123.4 Ų | 123.4 | 72% | 0.719 | 67% | 0.667 | S | S | * | * | trans | -53.4 | 147.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 962 | N | 28.5 | Very low | 40.5 | Very low | 153 Ų | 153 | 119 Ų | 119 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 80.6 | 41.8 | 158.8 | -57.2 | -15.5 | 0 | 0 | 0 | 119.7 | ||
| 963 | N | 30.1 | Very low | 42.7 | Very low | 135 Ų | 135 | 111 Ų | 111 | 72% | 0.722 | 61% | 0.61 | S | S | * | * | trans | -143.9 | 93.5 | 151.5 | -95.9 | -26.5 | 0 | 0 | 0 | 110.4 | I965 | N963-I965 HydrophobicContact CB-CD1 3.91Å; N963-I965 HydrophobicContact CB-CG1 4Å; N963-I965 PolarHBondContact O-N 3.2Å | ||
| 964 | G | 29.6 | Very low | 44.9 | Very low | 92 Ų | 92 | 102.8 Ų | 102.8 | 95% | 0.948 | 57% | 0.571 | S | S | * | * | trans | -66.7 | 68.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q966 | G964-Q966 PolarHBondContact O-N 3.36Š| ||
| 965 | I | 35.3 | Very low | 47.3 | Very low | 117 Ų | 117 | 94.4 Ų | 94.4 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | trans | -93.4 | 86.4 | 170.7 | -58.1 | 167.7 | 0 | 0 | 0 | 105.3 | N963 S967 | N963-I965 HydrophobicContact CB-CD1 3.91Å; N963-I965 HydrophobicContact CB-CG1 4Å; N963-I965 PolarHBondContact O-N 3.2Å; I965-S967 VanDerWaalsContact C-N 3.29Å; I965-S967 PolarHBondContact O-N 2.92Å | ||
| 966 | Q | 41 | Very low | 49.9 | Very low | 142 Ų | 142 | 91.1 Ų | 91.1 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | trans | -57.7 | 104.9 | 149.6 | -87.9 | 174.9 | -21.3 | 0 | 0 | 105.5 | G964 F968 | G964-Q966 PolarHBondContact O-N 3.36Å; Q966-F968 VanDerWaalsContact C-N 3.26Å; Q966-F968 HydrophobicContact CB-CD2 4.18Å; Q966-F968 HydrophobicContact CB-CE2 3.55Å; Q966-F968 HydrophobicContact CB-CZ 3.87Å; Q966-F968 WeakPolarHBondContact O-CD2 3.13Å; Q966-F968 PolarHBondContact O-N 3.4Å | ||
| 967 | S | 47.2 | Very low | 52.7 | Low | 59 Ų | 59 | 86.7 Ų | 86.7 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | trans | -72.2 | 85.6 | 176.7 | 48.7 | 0 | 0 | 0 | 0 | 108.6 | E917 I965 | E917-S967 PolarHBondContact OE1-OG 2.85Å; I965-S967 VanDerWaalsContact C-N 3.29Å; I965-S967 PolarHBondContact O-N 2.92Å | ||
| 968 | F | 52.4 | Low | 55.3 | Low | 102 Ų | 102 | 82.2 Ų | 82.2 | 45% | 0.447 | 46% | 0.464 | S | S | . | . | trans | -64.3 | 141.7 | 167.3 | -62.9 | -82.6 | 0 | 0 | 0 | 109.2 | N921 Q966 K970 | N921-F968 HydrophobicContact CB-CD1 3.63Å; N921-F968 HydrophobicContact CB-CE1 3.78Å; Q966-F968 VanDerWaalsContact C-N 3.26Å; Q966-F968 HydrophobicContact CB-CD2 4.18Å; Q966-F968 HydrophobicContact CB-CE2 3.55Å; Q966-F968 HydrophobicContact CB-CZ 3.87Å; Q966-F968 WeakPolarHBondContact O-CD2 3.13Å; Q966-F968 PolarHBondContact O-N 3.4Å; F968-K970 WeakPolarHBondContact O-CG 3.43Å; F968-K970 PolarHBondContact O-N 3.25Å | ||
| 969 | P | 56.4 | Low | 57.5 | Low | 12 Ų | 12 | 76.7 Ų | 76.7 | 8% | 0.078 | 44% | 0.443 | C | S | . | . | trans | -62.1 | 112.1 | 167.5 | 26.1 | -28.9 | 0 | 0 | 0 | 107.1 | E917 I918 Y971 I1017 | E917-P969 WeakPolarHBondContact O-CD 3.44Å; I918-P969 HydrophobicContact CG1-CG 4.32Å; P969-Y971 PolarHBondContact O-N 2.88Å; P969-I1017 HydrophobicContact CB-CD1 3.92Å; P969-I1017 HydrophobicContact CG-CD1 3.87Å | ||
| 970 | K | 63.9 | Low | 60.2 | Low | 169 Ų | 169 | 72.8 Ų | 72.8 | 74% | 0.735 | 43% | 0.429 | S | S | * | . | trans | -75 | -28.1 | -166.3 | -68.2 | -176.2 | 179 | 179.7 | 0 | 113.1 | F968 | F968-K970 WeakPolarHBondContact O-CG 3.43Å; F968-K970 PolarHBondContact O-N 3.25Å | ||
| 971 | Y | 80 | Confident | 63 | Low | 63 Ų | 63 | 66 Ų | 66 | 25% | 0.247 | 39% | 0.393 | C | S | . | . | trans | -164.5 | 160.6 | -174.7 | 57.6 | -91.3 | 0 | 0 | 0 | 110.5 | P969 P1018 P1020 | P969-Y971 PolarHBondContact O-N 2.88Å; Y971-P1018 VanDerWaalsContact CA-O 3.31Å; Y971-P1018 WeakPolarHBondContact CA-O 3.27Å; Y971-P1020 HydrophobicContact CD1-CB 4.41Å; Y971-P1020 HydrophobicContact CD2-CB 4.03Å; Y971-P1020 HydrophobicContact CD2-CG 3.86Å; Y971-P1020 HydrophobicContact CE2-CG 4.5Å; Y971-P1020 HydrophobicContact CG-CB 3.87Å; Y971-P1020 HydrophobicContact CG-CG 4.2Å | ||
| 972 | S | 86.7 | Confident | 65.9 | Low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -133.1 | 133.8 | 171.8 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | A909 L974 P975 G1014 P1018 S1019 | A909-S972 WeakPolarHBondContact O-CA 3.42Å; S972-L974 VanDerWaalsContact C-N 3.34Å; S972-L974 PolarHBondContact OG-N 3.49Å; S972-P975 WeakPolarHBondContact O-CD 3.28Å; S972-G1014 WeakPolarHBondContact CB-O 3.49Å; S972-G1014 PolarHBondContact OG-O 3.36Å; S972-P1018 PolarHBondContact N-O 3.42Å; S972-S1019 WeakPolarHBondContact O-CA 3.43Å | ||
| 973 | N | 87.1 | Confident | 68.6 | Low | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -87.6 | -3.7 | 174.7 | -69.6 | -37.7 | 0 | 0 | 0 | 112.7 | S866 P868 L871 A909 S976 P1020 | S866-N973 WeakPolarHBondContact O-CB 3.18Å; S866-N973 PolarHBondContact O-ND2 2.91Å; S866-N973 PolarHBondContact OG-ND2 3.19Å; P868-N973 HydrophobicContact CG-CB 4.48Å; L871-N973 HydrophobicContact CD1-CB 4.27Å; A909-N973 PolarHBondContact O-N 2.92Å; N973-S976 PolarHBondContact O-N 3.34Å; N973-S976 PolarHBondContact O-OG 3.33Å; N973-P1020 WeakPolarHBondContact OD1-CD 3.35Å; N973-P1020 VanDerWaalsContact OD1-CG 3.28Å; N973-P1020 WeakPolarHBondContact OD1-CG 3.49Å |
| 974 | L | 86.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -59.4 | -42.7 | 178.6 | -67.7 | 174.2 | 0 | 0 | 0 | 113.9 | L906 A909 V910 S972 S976 L977 M985 F1011 L1015 | L906-L974 HydrophobicContact CD1-CD1 3.79Å; L906-L974 HydrophobicContact CD1-CD2 3.88Å; L906-L974 HydrophobicContact CD1-CG 4.39Å; A909-L974 HydrophobicContact CB-CD2 4.19Å; A909-L974 HydrophobicContact CB-CG 4.31Å; V910-L974 HydrophobicContact CG2-CD1 3.5Å; V910-L974 HydrophobicContact CG2-CG 4.13Å; S972-L974 VanDerWaalsContact C-N 3.34Å; S972-L974 PolarHBondContact OG-N 3.49Å; L974-S976 PolarHBondContact O-N 3.1Å; L974-S976 VanDerWaalsContact O-N 3.13Å; L974-L977 HydrophobicContact CD2-CD1 3.88Å; L974-L977 WeakPolarHBondContact O-CB 3.39Å; L974-L977 PolarHBondContact O-N 3.31Å; L974-L977 VanDerWaalsContact O-N 3.09Å; L974-M985 HydrophobicContact CD2-CE 4.31Å; L974-F1011 HydrophobicContact CD1-CD2 4.31Å; L974-L1015 HydrophobicContact CB-CD2 4.04Å |
| 975 | P | 81.6 | Confident | 74.4 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -64.9 | -15.4 | 179 | -21.5 | 34 | 0 | 0 | 0 | 114.4 | S972 N1043 V1045 I1046 | S972-P975 WeakPolarHBondContact O-CD 3.28Å; P975-N1043 WeakPolarHBondContact CB-OD1 3.35Å; P975-V1045 HydrophobicContact CB-CB 4.35Å; P975-V1045 WeakPolarHBondContact O-CB 3.3Å; P975-V1045 WeakPolarHBondContact O-CG2 3.33Å; P975-I1046 HydrophobicContact CB-CD1 4.29Å; P975-I1046 HydrophobicContact CG-CD1 4.15Å |
| 976 | S | 82.1 | Confident | 77 | Confident | 55 Ų | 55 | 42.1 Ų | 42.1 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -86.3 | -7.8 | 177.1 | 74.8 | 0 | 0 | 0 | 0 | 113.6 | P868 N973 L974 | P868-S976 WeakPolarHBondContact CG-OG 3.31Å; N973-S976 PolarHBondContact O-N 3.34Å; N973-S976 PolarHBondContact O-OG 3.33Å; L974-S976 PolarHBondContact O-N 3.1Å; L974-S976 VanDerWaalsContact O-N 3.13Å |
| 977 | L | 84.5 | Confident | 79.3 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -77.4 | 156.9 | 178.1 | -58.8 | -179.2 | 0 | 0 | 0 | 111.5 | P868 L871 L974 L981 L982 M985 | P868-L977 HydrophobicContact CB-CD2 4.22Å; L871-L977 HydrophobicContact CB-CD1 4.44Å; L871-L977 HydrophobicContact CB-CD2 3.86Å; L871-L977 HydrophobicContact CD1-CD1 4.36Å; L871-L977 HydrophobicContact CD1-CD2 4.22Å; L974-L977 HydrophobicContact CD2-CD1 3.88Å; L974-L977 WeakPolarHBondContact O-CB 3.39Å; L974-L977 PolarHBondContact O-N 3.31Å; L974-L977 VanDerWaalsContact O-N 3.09Å; L977-L981 HydrophobicContact CB-CD2 4.41Å; L977-L981 HydrophobicContact CD1-CD2 4.14Å; L977-L981 HydrophobicContact CD2-CD2 4.29Å; L977-L982 HydrophobicContact CB-CD1 4.48Å; L977-L982 HydrophobicContact CB-CD2 4.07Å; L977-L982 HydrophobicContact CB-CG 4.03Å; L977-L982 HydrophobicContact CD1-CD2 4.08Å; L977-M985 HydrophobicContact CD1-SD 4.24Å |
| 978 | S | 81.4 | Confident | 81.5 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 36% | 0.357 | 21% | 0.212 | S | C | . | . | trans | -66.7 | 144.8 | 177.2 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | S980 L981 L982 | S978-S980 PolarHBondContact O-N 2.93Å; S978-S980 PolarHBondContact OG-OG 3.16Å; S978-L981 PolarHBondContact O-N 2.94Å; S978-L981 WeakPolarHBondContact OG-CB 3.4Å; S978-L981 PolarHBondContact OG-N 2.9Å; S978-L982 PolarHBondContact O-N 3.38Å | ||
| 979 | G | 75 | Confident | 83.4 | Confident | 35 Ų | 35 | 33.3 Ų | 33.3 | 36% | 0.361 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60 | -27 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S983 | G979-S983 WeakPolarHBondContact O-CB 3.47Å; G979-S983 PolarHBondContact O-N 3.25Å; G979-S983 PolarHBondContact O-OG 3.38Å |
| 980 | S | 80.7 | Confident | 85 | Confident | 87 Ų | 87 | 33 Ų | 33 | 61% | 0.608 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -70.6 | -37.5 | 173.3 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | S978 S983 L984 | S978-S980 PolarHBondContact O-N 2.93Å; S978-S980 PolarHBondContact OG-OG 3.16Å; S980-S983 WeakPolarHBondContact CA-OG 3.29Å; S980-S983 PolarHBondContact O-OG 3.48Å; S980-L984 WeakPolarHBondContact O-CB 3.31Å; S980-L984 PolarHBondContact O-N 3.06Å; S980-L984 VanDerWaalsContact O-N 3.12Å |
| 981 | L | 86.5 | Confident | 86.3 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.2 | -48.1 | 175.1 | 177.4 | 55.5 | 0 | 0 | 0 | 111.5 | N872 F875 P876 L880 L977 S978 S983 L984 M985 | N872-L981 HydrophobicContact CB-CD2 4.39Å; N872-L981 WeakPolarHBondContact OD1-CD2 3.2Å; F875-L981 HydrophobicContact CB-CD1 4.1Å; P876-L981 HydrophobicContact CG-CD1 3.53Å; L880-L981 HydrophobicContact CD1-CD1 4.18Å; L977-L981 HydrophobicContact CB-CD2 4.41Å; L977-L981 HydrophobicContact CD1-CD2 4.14Å; L977-L981 HydrophobicContact CD2-CD2 4.29Å; S978-L981 PolarHBondContact O-N 2.94Å; S978-L981 WeakPolarHBondContact OG-CB 3.4Å; S978-L981 PolarHBondContact OG-N 2.9Å; L981-S983 PolarHBondContact O-N 2.87Å; L981-L984 PolarHBondContact O-N 3.13Å; L981-L984 VanDerWaalsContact O-N 3.15Å; L981-M985 HydrophobicContact CD1-CG 4.06Å; L981-M985 HydrophobicContact CD1-SD 4.25Å; L981-M985 HydrophobicContact CG-CG 4.3Å; L981-M985 HydrophobicContact CG-SD 3.94Å; L981-M985 WeakPolarHBondContact O-CB 3.44Å; L981-M985 WeakPolarHBondContact O-CG 3.22Å; L981-M985 PolarHBondContact O-N 2.83Å |
| 982 | L | 87.7 | Confident | 86.9 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -39.3 | 179 | -69.1 | 174.1 | 0 | 0 | 0 | 111.6 | L977 S978 M985 L986 F1011 L1015 V1045 F1092 | L977-L982 HydrophobicContact CB-CD1 4.48Å; L977-L982 HydrophobicContact CB-CD2 4.07Å; L977-L982 HydrophobicContact CB-CG 4.03Å; L977-L982 HydrophobicContact CD1-CD2 4.08Å; S978-L982 PolarHBondContact O-N 3.38Å; L982-M985 WeakPolarHBondContact O-CB 3.41Å; L982-M985 PolarHBondContact O-N 2.87Å; L982-L986 VanDerWaalsContact O-CB 3.31Å; L982-L986 WeakPolarHBondContact O-CB 3.4Å; L982-L986 PolarHBondContact O-N 3.31Å; L982-F1011 HydrophobicContact CB-CZ 4.31Å; L982-F1011 HydrophobicContact CD2-CE2 3.73Å; L982-F1011 HydrophobicContact CD2-CZ 3.89Å; L982-L1015 HydrophobicContact CD1-CD2 4.1Å; L982-L1015 HydrophobicContact CD2-CD2 4.21Å; L982-V1045 HydrophobicContact CD1-CG1 4.13Å; L982-V1045 HydrophobicContact CD1-CG2 3.8Å; L982-F1092 HydrophobicContact CB-CD2 3.76Å; L982-F1092 HydrophobicContact CB-CE2 3.61Å; L982-F1092 HydrophobicContact CB-CG 4.33Å; L982-F1092 HydrophobicContact CB-CZ 4.05Å; L982-F1092 HydrophobicContact CD1-CE1 4.44Å |
| 983 | S | 85.6 | Confident | 87.1 | Confident | 16 Ų | 16 | 23.7 Ų | 23.7 | 11% | 0.112 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 176.2 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | G979 S980 L981 M985 L986 A987 Q1095 | G979-S983 WeakPolarHBondContact O-CB 3.47Å; G979-S983 PolarHBondContact O-N 3.25Å; G979-S983 PolarHBondContact O-OG 3.38Å; S980-S983 WeakPolarHBondContact CA-OG 3.29Å; S980-S983 PolarHBondContact O-OG 3.48Å; L981-S983 PolarHBondContact O-N 2.87Å; S983-M985 PolarHBondContact O-N 3.28Å; S983-L986 PolarHBondContact O-N 2.83Å; S983-A987 WeakPolarHBondContact O-CB 3.44Å; S983-A987 PolarHBondContact O-N 2.87Å; S983-Q1095 VanDerWaalsContact CB-OE1 3.31Å; S983-Q1095 PolarHBondContact O-OE1 2.92Å |
| 984 | L | 87.6 | Confident | 87.2 | Confident | 67 Ų | 67 | 25.7 Ų | 25.7 | 35% | 0.351 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 174.7 | -172.4 | 66.4 | 0 | 0 | 0 | 112.5 | L880 S980 L981 A987 R988 | L880-L984 HydrophobicContact CD1-CB 4.46Å; L880-L984 HydrophobicContact CD1-CD2 3.79Å; L880-L984 HydrophobicContact CD1-CG 3.92Å; S980-L984 WeakPolarHBondContact O-CB 3.31Å; S980-L984 PolarHBondContact O-N 3.06Å; S980-L984 VanDerWaalsContact O-N 3.12Å; L981-L984 PolarHBondContact O-N 3.13Å; L981-L984 VanDerWaalsContact O-N 3.15Å; L984-A987 PolarHBondContact O-N 3.29Å; L984-R988 WeakPolarHBondContact O-CG 3.44Å; L984-R988 PolarHBondContact O-N 3.49Å |
| 985 | M | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.3 | -48.5 | 174.2 | -80.5 | 177.5 | 71.1 | 0 | 0 | 111.3 | F875 L880 Y902 L906 L974 L977 L981 L982 S983 R988 L989 F1011 | F875-M985 HydrophobicContact CB-CG 4.45Å; F875-M985 HydrophobicContact CD1-CE 4.13Å; F875-M985 HydrophobicContact CD1-CG 4.41Å; F875-M985 HydrophobicContact CD1-SD 4.44Å; F875-M985 HydrophobicContact CD2-CE 3.91Å; F875-M985 HydrophobicContact CD2-SD 3.84Å; F875-M985 HydrophobicContact CE1-CE 3.81Å; F875-M985 HydrophobicContact CE2-CE 3.54Å; F875-M985 HydrophobicContact CE2-SD 4.08Å; F875-M985 HydrophobicContact CG-CE 4.19Å; F875-M985 HydrophobicContact CG-CG 4.3Å; F875-M985 HydrophobicContact CG-SD 4.04Å; F875-M985 HydrophobicContact CZ-CE 3.5Å; L880-M985 HydrophobicContact CD1-CG 4.05Å; L880-M985 HydrophobicContact CD2-CG 4.34Å; Y902-M985 HydrophobicContact CE1-CE 4.28Å; Y902-M985 WeakPolarHBondContact OH-CB 3.35Å; Y902-M985 VanDerWaalsContact OH-CE 3.27Å; Y902-M985 WeakPolarHBondContact OH-CE 3.38Å; L906-M985 HydrophobicContact CD1-CE 4.34Å; L974-M985 HydrophobicContact CD2-CE 4.31Å; L977-M985 HydrophobicContact CD1-SD 4.24Å; L981-M985 HydrophobicContact CD1-CG 4.06Å; L981-M985 HydrophobicContact CD1-SD 4.25Å; L981-M985 HydrophobicContact CG-CG 4.3Å; L981-M985 HydrophobicContact CG-SD 3.94Å; L981-M985 WeakPolarHBondContact O-CB 3.44Å; L981-M985 WeakPolarHBondContact O-CG 3.22Å; L981-M985 PolarHBondContact O-N 2.83Å; L982-M985 WeakPolarHBondContact O-CB 3.41Å; L982-M985 PolarHBondContact O-N 2.87Å; S983-M985 PolarHBondContact O-N 3.28Å; M985-R988 PolarHBondContact O-N 3.28Å; M985-L989 WeakPolarHBondContact O-CG 3.24Å; M985-L989 PolarHBondContact O-N 2.71Å; M985-F1011 HydrophobicContact CB-CE2 4.32Å; M985-F1011 HydrophobicContact CE-CD2 4.15Å; M985-F1011 HydrophobicContact CE-CE2 3.96Å |
| 986 | L | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -46.5 | 178.9 | -177.5 | 64.1 | 0 | 0 | 0 | 111.4 | L982 S983 R988 L989 G990 L1008 F1011 F1012 F1092 Q1095 V1096 F1099 | L982-L986 VanDerWaalsContact O-CB 3.31Å; L982-L986 WeakPolarHBondContact O-CB 3.4Å; L982-L986 PolarHBondContact O-N 3.31Å; S983-L986 PolarHBondContact O-N 2.83Å; L986-R988 VanDerWaalsContact C-N 3.27Å; L986-R988 PolarHBondContact O-N 3.36Å; L986-L989 PolarHBondContact O-N 2.93Å; L986-G990 PolarHBondContact O-N 3.19Å; L986-L1008 HydrophobicContact CD1-CD2 3.63Å; L986-F1011 HydrophobicContact CB-CE1 4.44Å; L986-F1011 HydrophobicContact CD1-CE1 4.23Å; L986-F1012 HydrophobicContact CD1-CE1 3.88Å; L986-F1012 HydrophobicContact CD1-CZ 3.83Å; L986-F1092 HydrophobicContact CD2-CE2 4.11Å; L986-Q1095 HydrophobicContact CD2-CB 4.34Å; L986-V1096 HydrophobicContact CD2-CB 4.29Å; L986-V1096 HydrophobicContact CD2-CG2 3.62Å; L986-F1099 HydrophobicContact CD1-CD1 4.34Å; L986-F1099 HydrophobicContact CD1-CD2 3.92Å; L986-F1099 HydrophobicContact CD1-CE1 4.06Å; L986-F1099 HydrophobicContact CD1-CE2 3.63Å; L986-F1099 HydrophobicContact CD1-CG 4.23Å; L986-F1099 HydrophobicContact CD1-CZ 3.63Å; L986-F1099 HydrophobicContact CD2-CD2 4.06Å; L986-F1099 HydrophobicContact CD2-CE2 4.36Å; L986-F1099 HydrophobicContact CG-CD2 3.73Å; L986-F1099 HydrophobicContact CG-CE2 3.52Å; L986-F1099 HydrophobicContact CG-CG 4.44Å; L986-F1099 HydrophobicContact CG-CZ 4.05Å; L986-F1099 WeakPolarHBondContact O-CE2 3.24Å; L986-F1099 WeakPolarHBondContact O-CZ 3.48Å |
| 987 | A | 89.6 | Confident | 87.9 | Confident | 43 Ų | 43 | 30.1 Ų | 30.1 | 36% | 0.355 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.8 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S983 L984 G990 S991 | S983-A987 WeakPolarHBondContact O-CB 3.44Å; S983-A987 PolarHBondContact O-N 2.87Å; L984-A987 PolarHBondContact O-N 3.29Å; A987-G990 PolarHBondContact O-N 3.28Å; A987-S991 PolarHBondContact O-N 3.15Å; A987-S991 VanDerWaalsContact O-N 3.12Å |
| 988 | R | 91.5 | Very high | 88.2 | Confident | 74 Ų | 74 | 33.2 Ų | 33.2 | 28% | 0.279 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.6 | -43.2 | 176.6 | -68.3 | -67.3 | 176.6 | -122 | -3 | 112.7 | L880 C883 L984 M985 L986 G990 S991 L992 | L880-R988 HydrophobicContact CB-CG 4.26Å; L880-R988 HydrophobicContact CD2-CB 3.86Å; L880-R988 HydrophobicContact CD2-CG 3.87Å; C883-R988 HydrophobicContact CB-CB 4.21Å; L984-R988 WeakPolarHBondContact O-CG 3.44Å; L984-R988 PolarHBondContact O-N 3.49Å; M985-R988 PolarHBondContact O-N 3.28Å; L986-R988 VanDerWaalsContact C-N 3.27Å; L986-R988 PolarHBondContact O-N 3.36Å; R988-G990 PolarHBondContact O-N 3.3Å; R988-S991 PolarHBondContact O-N 3.43Å; R988-S991 PolarHBondContact O-OG 3.48Å; R988-L992 WeakPolarHBondContact O-CG 3.34Å; R988-L992 PolarHBondContact O-N 3.19Å; R988-L992 VanDerWaalsContact O-N 3.12Å |
| 989 | L | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.7 | -36.9 | 172.2 | -71.6 | 176.9 | 0 | 0 | 0 | 111.6 | I899 Y902 M985 L986 L992 L993 C1007 L1008 | I899-L989 HydrophobicContact CD1-CD2 3.57Å; Y902-L989 HydrophobicContact CD1-CD2 4.35Å; Y902-L989 HydrophobicContact CE1-CD1 4.02Å; Y902-L989 HydrophobicContact CE1-CD2 4.01Å; Y902-L989 HydrophobicContact CE1-CG 4.26Å; Y902-L989 HydrophobicContact CE2-CD2 4.14Å; Y902-L989 HydrophobicContact CE2-CG 4.17Å; Y902-L989 VanDerWaalsContact OH-CD1 3.26Å; Y902-L989 WeakPolarHBondContact OH-CD1 3.33Å; M985-L989 WeakPolarHBondContact O-CG 3.24Å; M985-L989 PolarHBondContact O-N 2.71Å; L986-L989 PolarHBondContact O-N 2.93Å; L989-L992 PolarHBondContact O-N 2.95Å; L989-L992 VanDerWaalsContact O-N 3.16Å; L989-L993 PolarHBondContact O-N 3.45Å; L989-C1007 HydrophobicContact CD1-CB 4.08Å; L989-C1007 HydrophobicContact CD2-CB 3.52Å; L989-C1007 HydrophobicContact CG-CB 4.48Å; L989-L1008 HydrophobicContact CB-CD1 4.48Å; L989-L1008 HydrophobicContact CB-CD2 3.8Å; L989-L1008 HydrophobicContact CB-CG 4.03Å; L989-L1008 HydrophobicContact CD1-CD2 3.64Å; L989-L1008 HydrophobicContact CD1-CG 3.94Å; L989-L1008 HydrophobicContact CG-CD2 4.37Å |
| 990 | G | 90.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L986 A987 R988 L992 L993 | L986-G990 PolarHBondContact O-N 3.19Å; A987-G990 PolarHBondContact O-N 3.28Å; R988-G990 PolarHBondContact O-N 3.3Å; G990-L992 VanDerWaalsContact C-N 3.26Å; G990-L992 PolarHBondContact O-N 3.14Å; G990-L993 WeakPolarHBondContact O-CB 3.08Å; G990-L993 PolarHBondContact O-N 2.78Å |
| 991 | S | 89.7 | Confident | 90.1 | Very high | 37 Ų | 37 | 27.1 Ų | 27.1 | 26% | 0.259 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63 | -31.7 | 174.3 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | A987 R988 D994 | A987-S991 PolarHBondContact O-N 3.15Å; A987-S991 VanDerWaalsContact O-N 3.12Å; R988-S991 PolarHBondContact O-N 3.43Å; R988-S991 PolarHBondContact O-OG 3.48Å; S991-D994 PolarHBondContact O-N 3.23Å |
| 992 | L | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -80.6 | -15.3 | 179.1 | -66 | 173.7 | 0 | 0 | 0 | 113.3 | C883 R895 I899 R988 L989 G990 D994 D995 T1000 A1004 | C883-L992 HydrophobicContact CB-CD1 3.93Å; C883-L992 WeakPolarHBondContact O-CD2 3.29Å; R895-L992 HydrophobicContact CB-CD2 4.2Å; R895-L992 HydrophobicContact CG-CD2 4.37Å; I899-L992 HydrophobicContact CB-CD1 4.29Å; I899-L992 HydrophobicContact CD1-CD1 3.55Å; I899-L992 HydrophobicContact CG1-CD1 4.36Å; R988-L992 WeakPolarHBondContact O-CG 3.34Å; R988-L992 PolarHBondContact O-N 3.19Å; R988-L992 VanDerWaalsContact O-N 3.12Å; L989-L992 PolarHBondContact O-N 2.95Å; L989-L992 VanDerWaalsContact O-N 3.16Å; G990-L992 VanDerWaalsContact C-N 3.26Å; G990-L992 PolarHBondContact O-N 3.14Å; L992-D994 VanDerWaalsContact C-N 3.31Å; L992-D995 VanDerWaalsContact O-CB 3.28Å; L992-D995 WeakPolarHBondContact O-CB 3.38Å; L992-D995 PolarHBondContact O-N 3.21Å; L992-T1000 HydrophobicContact CB-CG2 4.11Å; L992-T1000 HydrophobicContact CD2-CG2 3.68Å; L992-T1000 HydrophobicContact CG-CG2 4.37Å; L992-A1004 HydrophobicContact CB-CB 3.89Å |
| 993 | L | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.4 | -35 | 168 | -71.4 | 179.5 | 0 | 0 | 0 | 111.4 | L989 G990 D995 R1001 A1004 C1005 L1008 F1099 N1102 F1103 R1106 I1118 | L989-L993 PolarHBondContact O-N 3.45Å; G990-L993 WeakPolarHBondContact O-CB 3.08Å; G990-L993 PolarHBondContact O-N 2.78Å; L993-D995 PolarHBondContact O-N 3.4Å; L993-R1001 WeakPolarHBondContact O-CD 3.35Å; L993-R1001 WeakPolarHBondContact O-CG 3.27Å; L993-A1004 HydrophobicContact CD2-CB 3.87Å; L993-A1004 HydrophobicContact CG-CB 4.39Å; L993-C1005 WeakPolarHBondContact CD2-SG 3.22Å; L993-L1008 HydrophobicContact CD1-CD1 3.49Å; L993-L1008 VanDerWaalsContact CD1-CD1 3.49Å; L993-L1008 HydrophobicContact CD2-CD1 3.85Å; L993-L1008 HydrophobicContact CG-CD1 3.82Å; L993-F1099 HydrophobicContact CD1-CE1 3.91Å; L993-N1102 HydrophobicContact CD1-CB 3.92Å; L993-F1103 HydrophobicContact CD1-CD1 4.47Å; L993-R1106 HydrophobicContact CB-CG 4.1Å; L993-R1106 HydrophobicContact CD2-CG 4.06Å; L993-R1106 HydrophobicContact CG-CG 4.47Å; L993-R1106 WeakPolarHBondContact O-CD 3.45Å; L993-R1106 PolarHBondContact O-NE 2.68Å; L993-R1106 PolarHBondContact O-NH2 3.37Å; L993-I1118 HydrophobicContact CD1-CD1 4.47Å; L993-I1118 HydrophobicContact CD2-CD1 4.37Å |
| 994 | D | 88 | Confident | 91.3 | Very high | 55 Ų | 55 | 33.2 Ų | 33.2 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 16.3 | 178.2 | -75.4 | -20.6 | 0 | 0 | 0 | 113.1 | S991 L992 K1105 R1106 | S991-D994 PolarHBondContact O-N 3.23Å; L992-D994 VanDerWaalsContact C-N 3.31Å; D994-K1105 WeakPolarHBondContact OD1-CD 3.45Å; D994-K1105 WeakPolarHBondContact OD2-CD 3.29Å; D994-K1105 IonicContact OD2-NZ 3.3Å; D994-K1105 PolarHBondContact OD2-NZ 2.87Å; D994-R1106 IonicContact OD1-CZ 2.85Å; D994-R1106 IonicContact OD1-NE 2.71Å; D994-R1106 IonicContact OD1-NH2 3.54Å; D994-R1106 PolarHBondContact OD1-NH2 3.41Å |
| 995 | D | 90.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | trans | -71.8 | 146.1 | -179.1 | -153.4 | -79.1 | 0 | 0 | 0 | 113.4 | R895 L992 L993 L997 T1000 R1001 | R895-D995 IonicContact CZ-OD1 2.67Å; R895-D995 IonicContact CZ-OD2 3.56Å; R895-D995 IonicContact NE-OD1 2.82Å; R895-D995 IonicContact NE-OD2 3.59Å; R895-D995 PolarHBondContact NE-OD2 3.37Å; R895-D995 VanDerWaalsContact NH2-CG 3.3Å; R895-D995 IonicContact NH2-OD1 2.6Å; R895-D995 PolarHBondContact NH2-OD1 3.02Å; R895-D995 IonicContact NH2-OD2 3.53Å; R895-D995 PolarHBondContact NH2-OD2 3.43Å; L992-D995 VanDerWaalsContact O-CB 3.28Å; L992-D995 WeakPolarHBondContact O-CB 3.38Å; L992-D995 PolarHBondContact O-N 3.21Å; L993-D995 PolarHBondContact O-N 3.4Å; D995-L997 VanDerWaalsContact C-N 3.28Å; D995-L997 PolarHBondContact O-N 3.17Å; D995-L997 PolarHBondContact OD1-N 3.07Å; D995-T1000 HydrophobicContact CB-CG2 3.86Å; D995-R1001 HydrophobicContact CB-CG 4.06Å; D995-R1001 WeakPolarHBondContact O-CD 3.32Å; D995-R1001 WeakPolarHBondContact O-CG 3.42Å; D995-R1001 PolarHBondContact O-NH1 2.73Å | ||
| 996 | D | 86.9 | Confident | 91.6 | Very high | 97 Ų | 97 | 31.3 Ų | 31.3 | 52% | 0.519 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -65.6 | -31.6 | 178.1 | -54.2 | -61.5 | 0 | 0 | 0 | 112.2 | W885 R1001 | W885-D996 PolarHBondContact NE1-OD2 3.1Å; D996-R1001 VanDerWaalsContact C-NH1 3.3Å; D996-R1001 PolarHBondContact O-NH1 3.12Å |
| 997 | L | 89.5 | Confident | 91.8 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 27% | 0.267 | 17% | 0.165 | S | C | . | . | trans | -84.3 | 121.8 | -176.1 | -171.8 | 67.2 | 0 | 0 | 0 | 112.6 | K896 D995 G999 T1000 R1001 | K896-L997 HydrophobicContact CB-CD2 4.07Å; K896-L997 HydrophobicContact CD-CD2 4.02Å; K896-L997 HydrophobicContact CG-CD2 4.3Å; D995-L997 VanDerWaalsContact C-N 3.28Å; D995-L997 PolarHBondContact O-N 3.17Å; D995-L997 PolarHBondContact OD1-N 3.07Å; L997-G999 VanDerWaalsContact C-N 3.31Å; L997-G999 PolarHBondContact O-N 3.3Å; L997-T1000 WeakPolarHBondContact O-CB 3.44Å; L997-T1000 PolarHBondContact O-N 3.25Å; L997-T1000 VanDerWaalsContact O-N 3.08Å; L997-R1001 PolarHBondContact O-N 3.44Å; L997-R1001 VanDerWaalsContact O-N 3.12Å | ||
| 998 | E | 90.5 | Very high | 92 | Very high | 71 Ų | 71 | 29.3 Ų | 29.3 | 33% | 0.332 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -51.8 | -46.6 | 177.4 | 179.5 | -174.3 | 151.1 | 0 | 0 | 112.6 | T1000 R1001 R1002 K1111 I1114 | E998-T1000 VanDerWaalsContact C-N 3.29Å; E998-T1000 PolarHBondContact O-N 3.37Å; E998-R1001 PolarHBondContact O-N 3.36Å; E998-R1002 WeakPolarHBondContact O-CB 3.41Å; E998-R1002 PolarHBondContact O-N 3.04Å; E998-K1111 HydrophobicContact CG-CG 4.05Å; E998-K1111 WeakPolarHBondContact OE2-CE 3.48Å; E998-K1111 IonicContact OE2-NZ 3.6Å; E998-K1111 PolarHBondContact OE2-NZ 2.89Å; E998-I1114 HydrophobicContact CG-CD1 3.99Å |
| 999 | G | 90.2 | Very high | 92.1 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 25% | 0.247 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -36.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | L997 L1003 | L997-G999 VanDerWaalsContact C-N 3.31Å; L997-G999 PolarHBondContact O-N 3.3Å; G999-L1003 WeakPolarHBondContact O-CG 3.36Å; G999-L1003 PolarHBondContact O-N 2.96Å; G999-L1003 VanDerWaalsContact O-N 3.11Å |
| 1000 | T | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.9 | -47.6 | 177 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | I899 L992 D995 L997 E998 R1002 L1003 A1004 | I899-T1000 HydrophobicContact CG2-CG2 4.39Å; L992-T1000 HydrophobicContact CB-CG2 4.11Å; L992-T1000 HydrophobicContact CD2-CG2 3.68Å; L992-T1000 HydrophobicContact CG-CG2 4.37Å; D995-T1000 HydrophobicContact CB-CG2 3.86Å; L997-T1000 WeakPolarHBondContact O-CB 3.44Å; L997-T1000 PolarHBondContact O-N 3.25Å; L997-T1000 VanDerWaalsContact O-N 3.08Å; E998-T1000 VanDerWaalsContact C-N 3.29Å; E998-T1000 PolarHBondContact O-N 3.37Å; T1000-R1002 VanDerWaalsContact C-N 3.32Å; T1000-R1002 PolarHBondContact O-N 3.46Å; T1000-L1003 PolarHBondContact O-N 3.38Å; T1000-A1004 WeakPolarHBondContact O-CB 3.3Å; T1000-A1004 PolarHBondContact O-N 3.2Å |
| 1001 | R | 94.4 | Very high | 92.1 | Very high | 20 Ų | 20 | 25.6 Ų | 25.6 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.2 | -42.2 | 177.2 | -63.5 | -158.7 | -61.1 | -80.1 | 6.6 | 112.4 | L993 D995 D996 L997 E998 A1004 C1005 D1109 I1114 | L993-R1001 WeakPolarHBondContact O-CD 3.35Å; L993-R1001 WeakPolarHBondContact O-CG 3.27Å; D995-R1001 HydrophobicContact CB-CG 4.06Å; D995-R1001 WeakPolarHBondContact O-CD 3.32Å; D995-R1001 WeakPolarHBondContact O-CG 3.42Å; D995-R1001 PolarHBondContact O-NH1 2.73Å; D996-R1001 VanDerWaalsContact C-NH1 3.3Å; D996-R1001 PolarHBondContact O-NH1 3.12Å; L997-R1001 PolarHBondContact O-N 3.44Å; L997-R1001 VanDerWaalsContact O-N 3.12Å; E998-R1001 PolarHBondContact O-N 3.36Å; R1001-A1004 PolarHBondContact O-N 2.9Å; R1001-C1005 PolarHBondContact O-N 3.08Å; R1001-C1005 PolarHBondContact O-SG 2.88Å; R1001-D1109 IonicContact CZ-OD1 2.68Å; R1001-D1109 IonicContact CZ-OD2 2.71Å; R1001-D1109 IonicContact NE-OD1 3.93Å; R1001-D1109 IonicContact NE-OD2 2.75Å; R1001-D1109 PolarHBondContact NE-OD2 3.26Å; R1001-D1109 IonicContact NH2-OD1 3.93Å; R1001-D1109 PolarHBondContact NH2-OD1 3.19Å; R1001-D1109 VanDerWaalsContact NH2-OD1 3.13Å; R1001-D1109 IonicContact NH2-OD2 3.54Å; R1001-D1109 PolarHBondContact NH2-OD2 3.24Å; R1001-I1114 HydrophobicContact CB-CD1 3.72Å |
| 1002 | R | 94.2 | Very high | 92.2 | Very high | 116 Ų | 116 | 23.9 Ų | 23.9 | 44% | 0.438 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.6 | -49.1 | 176.5 | -177.1 | 178.8 | 175.1 | 157.9 | 0 | 111.5 | E998 T1000 A1004 C1005 L1006 I1114 L1117 | E998-R1002 WeakPolarHBondContact O-CB 3.41Å; E998-R1002 PolarHBondContact O-N 3.04Å; T1000-R1002 VanDerWaalsContact C-N 3.32Å; T1000-R1002 PolarHBondContact O-N 3.46Å; R1002-A1004 VanDerWaalsContact C-N 3.35Å; R1002-C1005 PolarHBondContact O-N 3.01Å; R1002-L1006 PolarHBondContact O-N 3.32Å; R1002-L1006 VanDerWaalsContact O-N 3.08Å; R1002-I1114 HydrophobicContact CB-CG1 4.38Å; R1002-L1117 HydrophobicContact CG-CD1 3.61Å |
| 1003 | L | 93.7 | Very high | 91.9 | Very high | 35 Ų | 35 | 24 Ų | 24 | 18% | 0.183 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.8 | -34 | 177.7 | -74 | 171.1 | 0 | 0 | 0 | 112.1 | I899 G999 T1000 L1006 C1007 | I899-L1003 HydrophobicContact CB-CB 4.41Å; I899-L1003 HydrophobicContact CG1-CB 3.6Å; I899-L1003 HydrophobicContact CG2-CB 3.87Å; I899-L1003 HydrophobicContact CG2-CD1 3.7Å; I899-L1003 HydrophobicContact CG2-CG 4.45Å; G999-L1003 WeakPolarHBondContact O-CG 3.36Å; G999-L1003 PolarHBondContact O-N 2.96Å; G999-L1003 VanDerWaalsContact O-N 3.11Å; T1000-L1003 PolarHBondContact O-N 3.38Å; L1003-L1006 HydrophobicContact CD2-CD2 4.25Å; L1003-L1006 WeakPolarHBondContact O-CB 3.4Å; L1003-L1006 PolarHBondContact O-N 3.33Å; L1003-C1007 WeakPolarHBondContact O-CB 3.12Å; L1003-C1007 PolarHBondContact O-N 2.93Å; L1003-C1007 PolarHBondContact O-SG 3.1Å |
| 1004 | A | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I899 L992 L993 T1000 R1001 R1002 L1006 C1007 L1008 | I899-A1004 HydrophobicContact CD1-CB 4.28Å; L992-A1004 HydrophobicContact CB-CB 3.89Å; L993-A1004 HydrophobicContact CD2-CB 3.87Å; L993-A1004 HydrophobicContact CG-CB 4.39Å; T1000-A1004 WeakPolarHBondContact O-CB 3.3Å; T1000-A1004 PolarHBondContact O-N 3.2Å; R1001-A1004 PolarHBondContact O-N 2.9Å; R1002-A1004 VanDerWaalsContact C-N 3.35Å; A1004-L1006 VanDerWaalsContact C-N 3.34Å; A1004-L1006 PolarHBondContact O-N 2.91Å; A1004-C1007 PolarHBondContact O-N 3.05Å; A1004-L1008 WeakPolarHBondContact O-CG 3.33Å; A1004-L1008 PolarHBondContact O-N 2.85Å |
| 1005 | C | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 173 | -63 | 0 | 0 | 0 | 0 | 110.9 | L993 R1001 R1002 C1007 L1008 T1009 L1117 T1121 | L993-C1005 WeakPolarHBondContact CD2-SG 3.22Å; R1001-C1005 PolarHBondContact O-N 3.08Å; R1001-C1005 PolarHBondContact O-SG 2.88Å; R1002-C1005 PolarHBondContact O-N 3.01Å; C1005-C1007 PolarHBondContact O-N 3.45Å; C1005-L1008 PolarHBondContact O-N 3.23Å; C1005-T1009 PolarHBondContact O-N 3.24Å; C1005-T1009 PolarHBondContact O-OG1 2.99Å; C1005-T1009 VanDerWaalsContact O-OG1 3.05Å; C1005-L1117 HydrophobicContact CB-CB 3.89Å; C1005-T1121 PolarHBondContact O-OG1 3.07Å; C1005-T1121 VanDerWaalsContact O-OG1 3.12Å |
| 1006 | L | 92.6 | Very high | 91.2 | Very high | 28 Ų | 28 | 24.1 Ų | 24.1 | 15% | 0.147 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 177.6 | -174.3 | 66 | 0 | 0 | 0 | 112 | F903 L915 R1002 L1003 A1004 L1008 T1009 V1010 | F903-L1006 HydrophobicContact CD1-CD2 4.43Å; F903-L1006 HydrophobicContact CD2-CD2 3.95Å; F903-L1006 HydrophobicContact CD2-CG 4.1Å; F903-L1006 HydrophobicContact CE1-CD2 3.97Å; F903-L1006 HydrophobicContact CE2-CD1 4.45Å; F903-L1006 HydrophobicContact CE2-CD2 3.45Å; F903-L1006 VanDerWaalsContact CE2-CD2 3.45Å; F903-L1006 HydrophobicContact CE2-CG 3.55Å; F903-L1006 HydrophobicContact CG-CD2 4.42Å; F903-L1006 HydrophobicContact CZ-CD2 3.46Å; F903-L1006 VanDerWaalsContact CZ-CD2 3.46Å; F903-L1006 HydrophobicContact CZ-CG 4.02Å; L915-L1006 HydrophobicContact CD1-CD1 3.53Å; L915-L1006 HydrophobicContact CD2-CD1 3.46Å; L915-L1006 VanDerWaalsContact CD2-CD1 3.46Å; L915-L1006 HydrophobicContact CG-CD1 4.03Å; R1002-L1006 PolarHBondContact O-N 3.32Å; R1002-L1006 VanDerWaalsContact O-N 3.08Å; L1003-L1006 HydrophobicContact CD2-CD2 4.25Å; L1003-L1006 WeakPolarHBondContact O-CB 3.4Å; L1003-L1006 PolarHBondContact O-N 3.33Å; A1004-L1006 VanDerWaalsContact C-N 3.34Å; A1004-L1006 PolarHBondContact O-N 2.91Å; L1006-L1008 VanDerWaalsContact C-N 3.33Å; L1006-L1008 PolarHBondContact O-N 3.44Å; L1006-T1009 PolarHBondContact O-N 3.3Å; L1006-V1010 WeakPolarHBondContact O-CG2 3.47Å; L1006-V1010 PolarHBondContact O-N 3.48Å |
| 1007 | C | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59 | -42.8 | 175.3 | -76.1 | 0 | 0 | 0 | 0 | 111.7 | I899 Y902 L906 L989 L1003 A1004 C1005 V1010 F1011 | I899-C1007 HydrophobicContact CD1-CB 4.48Å; Y902-C1007 HydrophobicContact CD1-CB 4.24Å; Y902-C1007 HydrophobicContact CE1-CB 4.23Å; L906-C1007 HydrophobicContact CD2-CB 4.1Å; L906-C1007 WeakPolarHBondContact CD2-O 3.43Å; L989-C1007 HydrophobicContact CD1-CB 4.08Å; L989-C1007 HydrophobicContact CD2-CB 3.52Å; L989-C1007 HydrophobicContact CG-CB 4.48Å; L1003-C1007 WeakPolarHBondContact O-CB 3.12Å; L1003-C1007 PolarHBondContact O-N 2.93Å; L1003-C1007 PolarHBondContact O-SG 3.1Å; A1004-C1007 PolarHBondContact O-N 3.05Å; C1005-C1007 PolarHBondContact O-N 3.45Å; C1007-V1010 PolarHBondContact O-N 2.81Å; C1007-F1011 WeakPolarHBondContact O-CB 3.42Å; C1007-F1011 PolarHBondContact O-N 3.14Å |
| 1008 | L | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.6 | -40.9 | 177.8 | -73.7 | 166.1 | 0 | 0 | 0 | 112.4 | L986 L989 L993 A1004 C1005 L1006 V1010 F1011 F1012 F1099 F1103 T1121 | L986-L1008 HydrophobicContact CD1-CD2 3.63Å; L989-L1008 HydrophobicContact CB-CD1 4.48Å; L989-L1008 HydrophobicContact CB-CD2 3.8Å; L989-L1008 HydrophobicContact CB-CG 4.03Å; L989-L1008 HydrophobicContact CD1-CD2 3.64Å; L989-L1008 HydrophobicContact CD1-CG 3.94Å; L989-L1008 HydrophobicContact CG-CD2 4.37Å; L993-L1008 HydrophobicContact CD1-CD1 3.49Å; L993-L1008 VanDerWaalsContact CD1-CD1 3.49Å; L993-L1008 HydrophobicContact CD2-CD1 3.85Å; L993-L1008 HydrophobicContact CG-CD1 3.82Å; A1004-L1008 WeakPolarHBondContact O-CG 3.33Å; A1004-L1008 PolarHBondContact O-N 2.85Å; C1005-L1008 PolarHBondContact O-N 3.23Å; L1006-L1008 VanDerWaalsContact C-N 3.33Å; L1006-L1008 PolarHBondContact O-N 3.44Å; L1008-V1010 VanDerWaalsContact C-N 3.31Å; L1008-V1010 PolarHBondContact O-N 2.86Å; L1008-F1011 PolarHBondContact O-N 3.27Å; L1008-F1012 HydrophobicContact CB-CD2 4.41Å; L1008-F1012 HydrophobicContact CB-CE2 4.08Å; L1008-F1012 HydrophobicContact CD2-CE2 4.01Å; L1008-F1012 HydrophobicContact CD2-CZ 3.9Å; L1008-F1012 VanDerWaalsContact O-CD2 3.25Å; L1008-F1012 WeakPolarHBondContact O-CD2 3.36Å; L1008-F1012 WeakPolarHBondContact O-CG 3.43Å; L1008-F1012 PolarHBondContact O-N 3.49Å; L1008-F1099 HydrophobicContact CD1-CE1 3.8Å; L1008-F1099 HydrophobicContact CD1-CZ 4.42Å; L1008-F1099 HydrophobicContact CD2-CE1 3.88Å; L1008-F1099 HydrophobicContact CD2-CZ 4.1Å; L1008-F1103 HydrophobicContact CD1-CE1 4.39Å; L1008-T1121 HydrophobicContact CB-CG2 3.44Å; L1008-T1121 VanDerWaalsContact CB-CG2 3.44Å; L1008-T1121 HydrophobicContact CD1-CG2 4.29Å; L1008-T1121 HydrophobicContact CG-CG2 4.47Å |
| 1009 | T | 92 | Very high | 89.2 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 111 | L915 V919 C1005 L1006 N1013 E1120 T1121 | L915-T1009 HydrophobicContact CD1-CG2 4.49Å; V919-T1009 HydrophobicContact CG2-CG2 3.85Å; C1005-T1009 PolarHBondContact O-N 3.24Å; C1005-T1009 PolarHBondContact O-OG1 2.99Å; C1005-T1009 VanDerWaalsContact O-OG1 3.05Å; L1006-T1009 PolarHBondContact O-N 3.3Å; T1009-N1013 WeakPolarHBondContact O-CB 3.47Å; T1009-N1013 PolarHBondContact O-N 3.19Å; T1009-N1013 PolarHBondContact O-ND2 2.92Å; T1009-E1120 HydrophobicContact CG2-CB 4.24Å; T1009-T1121 WeakPolarHBondContact OG1-CA 3.33Å; T1009-T1121 PolarHBondContact OG1-N 3.42Å; T1009-T1121 PolarHBondContact OG1-OG1 3.19Å |
| 1010 | V | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.3 | -40 | 176 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | F903 L906 V910 M912 L915 I918 L1006 C1007 L1008 G1014 | F903-V1010 HydrophobicContact CE2-CG2 4.1Å; L906-V1010 HydrophobicContact CD2-CB 3.76Å; L906-V1010 HydrophobicContact CD2-CG1 3.7Å; L906-V1010 HydrophobicContact CG-CB 4.43Å; L906-V1010 HydrophobicContact CG-CG1 3.81Å; V910-V1010 HydrophobicContact CB-CG1 4.21Å; V910-V1010 HydrophobicContact CG1-CG1 4.49Å; V910-V1010 HydrophobicContact CG2-CG1 3.91Å; M912-V1010 HydrophobicContact CE-CG2 4.06Å; M912-V1010 HydrophobicContact SD-CG2 4Å; L915-V1010 HydrophobicContact CD1-CG2 4.08Å; I918-V1010 HydrophobicContact CD1-CB 4.4Å; I918-V1010 HydrophobicContact CD1-CG1 3.86Å; I918-V1010 HydrophobicContact CD1-CG2 4.23Å; L1006-V1010 WeakPolarHBondContact O-CG2 3.47Å; L1006-V1010 PolarHBondContact O-N 3.48Å; C1007-V1010 PolarHBondContact O-N 2.81Å; L1008-V1010 VanDerWaalsContact C-N 3.31Å; L1008-V1010 PolarHBondContact O-N 2.86Å; V1010-G1014 WeakPolarHBondContact O-CA 3.37Å; V1010-G1014 PolarHBondContact O-N 3.48Å |
| 1011 | F | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.9 | -51.6 | -178.3 | 179.6 | -95.2 | 0 | 0 | 0 | 111.9 | L906 L974 L982 M985 L986 C1007 L1008 G1014 L1015 F1092 | L906-F1011 HydrophobicContact CD1-CD2 4.25Å; L906-F1011 HydrophobicContact CD2-CB 4.33Å; L974-F1011 HydrophobicContact CD1-CD2 4.31Å; L982-F1011 HydrophobicContact CB-CZ 4.31Å; L982-F1011 HydrophobicContact CD2-CE2 3.73Å; L982-F1011 HydrophobicContact CD2-CZ 3.89Å; M985-F1011 HydrophobicContact CB-CE2 4.32Å; M985-F1011 HydrophobicContact CE-CD2 4.15Å; M985-F1011 HydrophobicContact CE-CE2 3.96Å; L986-F1011 HydrophobicContact CB-CE1 4.44Å; L986-F1011 HydrophobicContact CD1-CE1 4.23Å; C1007-F1011 WeakPolarHBondContact O-CB 3.42Å; C1007-F1011 PolarHBondContact O-N 3.14Å; L1008-F1011 PolarHBondContact O-N 3.27Å; F1011-G1014 PolarHBondContact O-N 2.84Å; F1011-L1015 HydrophobicContact CD1-CD1 3.98Å; F1011-L1015 HydrophobicContact CE1-CD1 3.58Å; F1011-L1015 HydrophobicContact CZ-CD1 3.98Å; F1011-L1015 WeakPolarHBondContact O-CG 3.37Å; F1011-L1015 PolarHBondContact O-N 3.47Å; F1011-F1092 HydrophobicContact CE1-CE2 4.22Å; F1011-F1092 AromaticContact CE1-CZ 3.97Å; F1011-F1092 HydrophobicContact CE1-CZ 3.97Å; F1011-F1092 HydrophobicContact CZ-CE2 4.07Å; F1011-F1092 HydrophobicContact CZ-CZ 4.01Å |
| 1012 | F | 91.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.5 | -43.7 | -178.5 | -65.7 | -43.2 | 0 | 0 | 0 | 112.6 | L986 L1008 L1015 V1096 F1103 T1121 A1124 W1125 L1128 | L986-F1012 HydrophobicContact CD1-CE1 3.88Å; L986-F1012 HydrophobicContact CD1-CZ 3.83Å; L1008-F1012 HydrophobicContact CB-CD2 4.41Å; L1008-F1012 HydrophobicContact CB-CE2 4.08Å; L1008-F1012 HydrophobicContact CD2-CE2 4.01Å; L1008-F1012 HydrophobicContact CD2-CZ 3.9Å; L1008-F1012 VanDerWaalsContact O-CD2 3.25Å; L1008-F1012 WeakPolarHBondContact O-CD2 3.36Å; L1008-F1012 WeakPolarHBondContact O-CG 3.43Å; L1008-F1012 PolarHBondContact O-N 3.49Å; F1012-L1015 PolarHBondContact O-N 2.93Å; F1012-V1096 HydrophobicContact CE1-CG1 4.24Å; F1012-F1103 HydrophobicContact CE2-CE1 4.19Å; F1012-F1103 AromaticContact CE2-CZ 3.67Å; F1012-F1103 HydrophobicContact CE2-CZ 3.67Å; F1012-F1103 AromaticContact CZ-CZ 3.97Å; F1012-F1103 HydrophobicContact CZ-CZ 3.97Å; F1012-T1121 HydrophobicContact CD2-CG2 3.91Å; F1012-T1121 HydrophobicContact CE2-CG2 3.73Å; F1012-A1124 HydrophobicContact CB-CB 3.83Å; F1012-W1125 HydrophobicContact CD2-CB 3.92Å; F1012-W1125 HydrophobicContact CE2-CB 4.01Å; F1012-W1125 HydrophobicContact CG-CB 4.48Å; F1012-L1128 HydrophobicContact CB-CD2 4.41Å; F1012-L1128 HydrophobicContact CD1-CD2 3.64Å; F1012-L1128 HydrophobicContact CE1-CD2 4.37Å; F1012-L1128 HydrophobicContact CG-CD2 4.38Å |
| 1013 | N | 88.3 | Confident | 81.6 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.5 | -40.1 | 174.8 | -76.8 | -61.5 | 0 | 0 | 0 | 111.7 | I918 L922 T1009 L1015 L1016 I1017 A1124 | I918-N1013 HydrophobicContact CG2-CB 3.08Å; L922-N1013 HydrophobicContact CD1-CB 3.88Å; T1009-N1013 WeakPolarHBondContact O-CB 3.47Å; T1009-N1013 PolarHBondContact O-N 3.19Å; T1009-N1013 PolarHBondContact O-ND2 2.92Å; N1013-L1015 PolarHBondContact O-N 3.35Å; N1013-L1016 WeakPolarHBondContact O-CB 3.45Å; N1013-L1016 PolarHBondContact O-N 3.24Å; N1013-I1017 WeakPolarHBondContact O-CG1 3.47Å; N1013-I1017 PolarHBondContact O-N 2.97Å; N1013-A1124 VanDerWaalsContact ND2-CB 3.25Å; N1013-A1124 WeakPolarHBondContact ND2-CB 3.28Å |
| 1014 | G | 87.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -24.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S972 V1010 F1011 L1016 | S972-G1014 WeakPolarHBondContact CB-O 3.49Å; S972-G1014 PolarHBondContact OG-O 3.36Å; V1010-G1014 WeakPolarHBondContact O-CA 3.37Å; V1010-G1014 PolarHBondContact O-N 3.48Å; F1011-G1014 PolarHBondContact O-N 2.84Å; G1014-L1016 VanDerWaalsContact C-N 3.28Å |
| 1015 | L | 86.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -19.2 | 171.8 | -73.7 | 169.6 | 0 | 0 | 0 | 113.6 | L974 L982 F1011 F1012 N1013 V1045 I1046 F1092 L1128 | L974-L1015 HydrophobicContact CB-CD2 4.04Å; L982-L1015 HydrophobicContact CD1-CD2 4.1Å; L982-L1015 HydrophobicContact CD2-CD2 4.21Å; F1011-L1015 HydrophobicContact CD1-CD1 3.98Å; F1011-L1015 HydrophobicContact CE1-CD1 3.58Å; F1011-L1015 HydrophobicContact CZ-CD1 3.98Å; F1011-L1015 WeakPolarHBondContact O-CG 3.37Å; F1011-L1015 PolarHBondContact O-N 3.47Å; F1012-L1015 PolarHBondContact O-N 2.93Å; N1013-L1015 PolarHBondContact O-N 3.35Å; L1015-V1045 HydrophobicContact CD2-CG1 4.33Å; L1015-I1046 WeakPolarHBondContact O-CD1 3.46Å; L1015-I1046 VanDerWaalsContact O-CG1 3.26Å; L1015-I1046 WeakPolarHBondContact O-CG1 3.47Å; L1015-F1092 HydrophobicContact CD1-CE1 4.01Å; L1015-F1092 HydrophobicContact CD1-CZ 3.67Å; L1015-L1128 HydrophobicContact CB-CD1 4.07Å; L1015-L1128 HydrophobicContact CD1-CD2 4.01Å |
| 1016 | L | 80.9 | Confident | 71.9 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -17.4 | 177.4 | -66.6 | 171.9 | 0 | 0 | 0 | 112.9 | N1013 G1014 R1127 L1128 | N1013-L1016 WeakPolarHBondContact O-CB 3.45Å; N1013-L1016 PolarHBondContact O-N 3.24Å; G1014-L1016 VanDerWaalsContact C-N 3.28Å; L1016-R1127 HydrophobicContact CD1-CB 3.89Å; L1016-R1127 HydrophobicContact CD1-CG 3.57Å; L1016-L1128 HydrophobicContact CD2-CD1 3.85Å; L1016-L1128 HydrophobicContact CG-CD1 4.14Å |
| 1017 | I | 81 | Confident | 68.6 | Low | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -78.6 | 131.2 | 177.9 | -55.3 | 176.8 | 0 | 0 | 0 | 108.5 | V910 L922 P969 N1013 | V910-I1017 HydrophobicContact CG1-CD1 3.64Å; L922-I1017 HydrophobicContact CD1-CD1 3.73Å; L922-I1017 HydrophobicContact CD1-CG1 3.62Å; L922-I1017 HydrophobicContact CD2-CD1 4.37Å; L922-I1017 HydrophobicContact CD2-CG1 3.88Å; L922-I1017 HydrophobicContact CG-CG1 4.41Å; P969-I1017 HydrophobicContact CB-CD1 3.92Å; P969-I1017 HydrophobicContact CG-CD1 3.87Å; N1013-I1017 WeakPolarHBondContact O-CG1 3.47Å; N1013-I1017 PolarHBondContact O-N 2.97Å |
| 1018 | P | 73.6 | Confident | 65.2 | Low | 78 Ų | 78 | 56.7 Ų | 56.7 | 51% | 0.506 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 150.8 | 179.5 | 25.3 | -33.8 | 0 | 0 | 0 | 112.5 | Y971 S972 | Y971-P1018 VanDerWaalsContact CA-O 3.31Å; Y971-P1018 WeakPolarHBondContact CA-O 3.27Å; S972-P1018 PolarHBondContact N-O 3.42Å |
| 1019 | S | 70.7 | Confident | 61.8 | Low | 34 Ų | 34 | 63.1 Ų | 63.1 | 24% | 0.238 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 150.2 | 172 | -59 | 0 | 0 | 0 | 0 | 110.7 | S972 N1043 | S972-S1019 WeakPolarHBondContact O-CA 3.43Å; S1019-N1043 PolarHBondContact OG-OD1 2.86Å |
| 1020 | P | 68.7 | Low | 58.5 | Low | 44 Ų | 44 | 70.9 Ų | 70.9 | 29% | 0.286 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 142.5 | 177.3 | 24.3 | -29.7 | 0 | 0 | 0 | 110.5 | Y971 N973 I1022 | Y971-P1020 HydrophobicContact CD1-CB 4.41Å; Y971-P1020 HydrophobicContact CD2-CB 4.03Å; Y971-P1020 HydrophobicContact CD2-CG 3.86Å; Y971-P1020 HydrophobicContact CE2-CG 4.5Å; Y971-P1020 HydrophobicContact CG-CB 3.87Å; Y971-P1020 HydrophobicContact CG-CG 4.2Å; N973-P1020 WeakPolarHBondContact OD1-CD 3.35Å; N973-P1020 VanDerWaalsContact OD1-CG 3.28Å; N973-P1020 WeakPolarHBondContact OD1-CG 3.49Å; P1020-I1022 PolarHBondContact O-N 3.1Å |
| 1021 | P | 59.1 | Low | 55.2 | Low | 121 Ų | 121 | 80.2 Ų | 80.2 | 79% | 0.786 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 128.4 | 175.9 | 24.6 | -31.7 | 0 | 0 | 0 | 109.6 | S1023 | P1021-S1023 PolarHBondContact O-N 2.95Š|
| 1022 | I | 50 | Low | 51.9 | Low | 126 Ų | 126 | 87.8 Ų | 87.8 | 65% | 0.646 | 52% | 0.517 | S | S | * | . | trans | -63 | 103 | 178.4 | -57.3 | 167.4 | 0 | 0 | 0 | 107.9 | P1020 L1024 E1041 | P1020-I1022 PolarHBondContact O-N 3.1Å; I1022-L1024 PolarHBondContact O-N 3.39Å; I1022-E1041 HydrophobicContact CD1-CB 4.3Å | ||
| 1023 | S | 34.2 | Very low | 48.7 | Very low | 92 Ų | 92 | 92.7 Ų | 92.7 | 64% | 0.643 | 55% | 0.552 | S | S | * | * | trans | -75.3 | 111.5 | 172.1 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | P1021 T1025 | P1021-S1023 PolarHBondContact O-N 2.95Å; S1023-T1025 PolarHBondContact O-N 2.91Å | ||
| 1024 | L | 29 | Very low | 45.5 | Very low | 176 Ų | 176 | 100.4 Ų | 100.4 | 92% | 0.921 | 59% | 0.593 | S | S | * | * | trans | -63.7 | 69.6 | 169.5 | -79.1 | 150.5 | 0 | 0 | 0 | 110.8 | I1022 | I1022-L1024 PolarHBondContact O-N 3.39Š| ||
| 1025 | T | 25 | Very low | 42.5 | Very low | 115 Ų | 115 | 105.6 Ų | 105.6 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | -146.4 | 77.6 | 173.6 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | S1023 | S1023-T1025 PolarHBondContact O-N 2.91Š| ||
| 1026 | S | 25.3 | Very low | 39.4 | Very low | 114 Ų | 114 | 112.5 Ų | 112.5 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | trans | -159.1 | 97.7 | 146.5 | 61.2 | 0 | 0 | 0 | 0 | 108.1 | S1028 | S1026-S1028 PolarHBondContact O-N 3.17Š| ||
| 1027 | S | 23.3 | Very low | 36.6 | Very low | 125 Ų | 125 | 117 Ų | 117 | 87% | 0.874 | 69% | 0.686 | S | S | * | * | trans | -59.3 | 115.8 | 169.8 | 47.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1028 | S | 23 | Very low | 33.8 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | -131.2 | 112.1 | 144.5 | 58.6 | 0 | 0 | 0 | 0 | 106.3 | S1026 M1030 | S1026-S1028 PolarHBondContact O-N 3.17Å; S1028-M1030 PolarHBondContact O-N 3.08Å | ||
| 1029 | P | 23.6 | Very low | 31.4 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 87% | 0.87 | 74% | 0.738 | S | S | * | * | trans | -75.9 | 95.5 | -179.5 | 30.8 | -29.1 | 0 | 0 | 0 | 107.5 | ||||
| 1030 | M | 23.9 | Very low | 29.3 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -117.5 | 104.5 | 164.2 | -162.3 | 131.5 | 116.3 | 0 | 0 | 106.8 | S1028 L1032 | S1028-M1030 PolarHBondContact O-N 3.08Å; M1030-L1032 PolarHBondContact O-N 3.43Å; M1030-L1032 VanDerWaalsContact O-N 3.11Å | ||
| 1031 | E | 21.2 | Very low | 27.4 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -51.3 | 110 | 177.2 | -64.4 | 175.9 | 155.2 | 0 | 0 | 109.8 | ||||
| 1032 | L | 24.5 | Very low | 26.3 | Very low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -127.7 | 122.6 | 161.8 | -90.6 | 157.7 | 0 | 0 | 0 | 107.9 | M1030 | M1030-L1032 PolarHBondContact O-N 3.43Å; M1030-L1032 VanDerWaalsContact O-N 3.11Å | ||
| 1033 | S | 23.1 | Very low | 26.2 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | -52.4 | 139.8 | -176 | 38.2 | 0 | 0 | 0 | 0 | 114.7 | S1035 | S1033-S1035 PolarHBondContact O-N 2.96Š| ||
| 1034 | D | 21.7 | Very low | 26.8 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | trans | 2 | 102.7 | 150.7 | -71.5 | -35.4 | 0 | 0 | 0 | 116.7 | ||||
| 1035 | S | 23.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | -163.4 | 112.4 | 138.2 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | S1033 | S1033-S1035 PolarHBondContact O-N 2.96Š| ||
| 1036 | N | 21.6 | Very low | 29.2 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 78% | 0.775 | 67% | 0.672 | S | S | * | * | trans | 45.9 | 115.5 | 145 | -72.7 | -22.5 | 0 | 0 | 0 | 121 | ||||
| 1037 | Q | 22.8 | Very low | 30.5 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | trans | 73.1 | 97.2 | 134 | -61.1 | -171.5 | 1 | 0 | 0 | 118 | H1039 | Q1037-H1039 VanDerWaalsContact C-N 3.29Å; Q1037-H1039 PolarHBondContact O-CD2 3.42Å; Q1037-H1039 PolarHBondContact O-N 3.48Å | ||
| 1038 | N | 21.1 | Very low | 31.9 | Very low | 159 Ų | 159 | 120.9 Ų | 120.9 | 85% | 0.85 | 63% | 0.629 | S | S | * | * | 16.9 | 59.4 | 123.9 | -65 | -16.6 | 0 | 0 | 0 | 117.4 | Y1040 | N1038-Y1040 PolarHBondContact O-N 2.82Š| |||
| 1039 | H | 24.5 | Very low | 33.3 | Very low | 163 Ų | 163 | 116.7 Ų | 116.7 | 76% | 0.755 | 60% | 0.599 | S | S | * | * | trans | -81.5 | 96.7 | 159.9 | -82 | -67.3 | 0 | 0 | 0 | 107.5 | Q1037 E1041 | Q1037-H1039 VanDerWaalsContact C-N 3.29Å; Q1037-H1039 PolarHBondContact O-CD2 3.42Å; Q1037-H1039 PolarHBondContact O-N 3.48Å; H1039-E1041 VanDerWaalsContact C-N 3.33Å; H1039-E1041 PolarHBondContact O-N 3.19Å | ||
| 1040 | Y | 25.2 | Very low | 34.6 | Very low | 220 Ų | 220 | 114.8 Ų | 114.8 | 86% | 0.863 | 58% | 0.582 | S | S | * | * | trans | -45.8 | 105.2 | 152.7 | -84.6 | -96.7 | 0 | 0 | 0 | 106.7 | N1038 G1042 | N1038-Y1040 PolarHBondContact O-N 2.82Å; Y1040-G1042 PolarHBondContact O-N 2.87Å | ||
| 1041 | E | 29.6 | Very low | 35.7 | Very low | 124 Ų | 124 | 108.2 Ų | 108.2 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | trans | -72.3 | 70.7 | 171.8 | -70.3 | -159.7 | 123.1 | 0 | 0 | 108.3 | I1022 H1039 R1044 | I1022-E1041 HydrophobicContact CD1-CB 4.3Å; H1039-E1041 VanDerWaalsContact C-N 3.33Å; H1039-E1041 PolarHBondContact O-N 3.19Å; E1041-R1044 IonicContact OE1-CZ 2.88Å; E1041-R1044 IonicContact OE1-NH2 3.68Å; E1041-R1044 PolarHBondContact OE1-NH2 3.03Å | ||
| 1042 | G | 37.1 | Very low | 36.8 | Very low | 34 Ų | 34 | 103.3 Ų | 103.3 | 35% | 0.351 | 54% | 0.537 | S | S | . | . | trans | -57.2 | 136.1 | 167 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y1040 R1044 D1047 | Y1040-G1042 PolarHBondContact O-N 2.87Å; G1042-R1044 VanDerWaalsContact C-N 3.3Å; G1042-R1044 PolarHBondContact O-N 3.12Å; G1042-D1047 VanDerWaalsContact C-OD2 3.24Å | ||
| 1043 | N | 46.1 | Very low | 37.6 | Very low | 34 Ų | 34 | 99.1 Ų | 99.1 | 18% | 0.182 | 52% | 0.518 | C | S | . | . | trans | -22 | 72.7 | 170 | -120.1 | -5.5 | 0 | 0 | 0 | 115.2 | P975 S1019 V1045 I1046 D1047 | P975-N1043 WeakPolarHBondContact CB-OD1 3.35Å; S1019-N1043 PolarHBondContact OG-OD1 2.86Å; N1043-V1045 PolarHBondContact O-N 2.97Å; N1043-I1046 HydrophobicContact CB-CB 4.19Å; N1043-I1046 WeakPolarHBondContact ND2-CD1 3.16Å; N1043-I1046 PolarHBondContact O-N 2.85Å; N1043-D1047 PolarHBondContact N-OD2 2.89Å; N1043-D1047 VanDerWaalsContact O-CB 3.32Å; N1043-D1047 WeakPolarHBondContact O-CB 3.34Å; N1043-D1047 PolarHBondContact O-N 2.81Å | ||
| 1044 | R | 48.5 | Very low | 38.8 | Very low | 178 Ų | 178 | 94.8 Ų | 94.8 | 67% | 0.672 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -53.8 | -32.2 | -169.8 | -68.9 | -171.9 | -159.9 | -174.7 | 7.9 | 114.1 | E1041 G1042 F1048 | E1041-R1044 IonicContact OE1-CZ 2.88Å; E1041-R1044 IonicContact OE1-NH2 3.68Å; E1041-R1044 PolarHBondContact OE1-NH2 3.03Å; G1042-R1044 VanDerWaalsContact C-N 3.3Å; G1042-R1044 PolarHBondContact O-N 3.12Å; R1044-F1048 WeakPolarHBondContact O-CA 3.3Å; R1044-F1048 WeakPolarHBondContact O-CB 3.48Å; R1044-F1048 PolarHBondContact O-N 2.78Å |
| 1045 | V | 51.8 | Low | 39.6 | Very low | 11 Ų | 11 | 88.3 Ų | 88.3 | 7% | 0.067 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -77 | -46.1 | 178 | 174.4 | 0 | 0 | 0 | 0 | 112 | P975 L982 L1015 N1043 F1048 L1049 F1092 | P975-V1045 HydrophobicContact CB-CB 4.35Å; P975-V1045 WeakPolarHBondContact O-CB 3.3Å; P975-V1045 WeakPolarHBondContact O-CG2 3.33Å; L982-V1045 HydrophobicContact CD1-CG1 4.13Å; L982-V1045 HydrophobicContact CD1-CG2 3.8Å; L1015-V1045 HydrophobicContact CD2-CG1 4.33Å; N1043-V1045 PolarHBondContact O-N 2.97Å; V1045-F1048 PolarHBondContact O-N 3.5Å; V1045-L1049 HydrophobicContact CG1-CD1 3.75Å; V1045-L1049 HydrophobicContact CG1-CG 4.19Å; V1045-L1049 VanDerWaalsContact O-CB 3.23Å; V1045-L1049 WeakPolarHBondContact O-CB 3.37Å; V1045-L1049 WeakPolarHBondContact O-CG 3.47Å; V1045-L1049 PolarHBondContact O-N 2.73Å; V1045-F1092 HydrophobicContact CG1-CE1 4.41Å |
| 1046 | I | 52.3 | Low | 40.1 | Very low | 28 Ų | 28 | 89.1 Ų | 89.1 | 14% | 0.144 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 176.5 | -71.8 | 157.8 | 0 | 0 | 0 | 109.5 | P975 L1015 N1043 F1048 L1049 N1050 | P975-I1046 HydrophobicContact CB-CD1 4.29Å; P975-I1046 HydrophobicContact CG-CD1 4.15Å; L1015-I1046 WeakPolarHBondContact O-CD1 3.46Å; L1015-I1046 VanDerWaalsContact O-CG1 3.26Å; L1015-I1046 WeakPolarHBondContact O-CG1 3.47Å; N1043-I1046 HydrophobicContact CB-CB 4.19Å; N1043-I1046 WeakPolarHBondContact ND2-CD1 3.16Å; N1043-I1046 PolarHBondContact O-N 2.85Å; I1046-F1048 VanDerWaalsContact C-N 3.32Å; I1046-F1048 PolarHBondContact O-N 3.38Å; I1046-L1049 PolarHBondContact O-N 3.31Å; I1046-N1050 WeakPolarHBondContact CG2-ND2 3.49Å; I1046-N1050 WeakPolarHBondContact O-CA 3Å; I1046-N1050 WeakPolarHBondContact O-CB 2.95Å; I1046-N1050 PolarHBondContact O-N 3.49Å; I1046-N1050 PolarHBondContact O-ND2 3.49Å |
| 1047 | D | 52.2 | Low | 40.3 | Very low | 81 Ų | 81 | 87.5 Ų | 87.5 | 43% | 0.433 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.8 | -34.5 | 173.8 | -65.7 | -23.7 | 0 | 0 | 0 | 111 | G1042 N1043 S1051 | G1042-D1047 VanDerWaalsContact C-OD2 3.24Å; N1043-D1047 PolarHBondContact N-OD2 2.89Å; N1043-D1047 VanDerWaalsContact O-CB 3.32Å; N1043-D1047 WeakPolarHBondContact O-CB 3.34Å; N1043-D1047 PolarHBondContact O-N 2.81Å; D1047-S1051 WeakPolarHBondContact O-CA 3.37Å; D1047-S1051 WeakPolarHBondContact O-CB 3.04Å; D1047-S1051 PolarHBondContact O-N 3.11Å |
| 1048 | F | 53 | Low | 40.6 | Very low | 77 Ų | 77 | 86.9 Ų | 86.9 | 34% | 0.338 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71 | -40.1 | 173.1 | 171.8 | -96.5 | 0 | 0 | 0 | 112.8 | R1044 V1045 I1046 N1050 W1054 | R1044-F1048 WeakPolarHBondContact O-CA 3.3Å; R1044-F1048 WeakPolarHBondContact O-CB 3.48Å; R1044-F1048 PolarHBondContact O-N 2.78Å; V1045-F1048 PolarHBondContact O-N 3.5Å; I1046-F1048 VanDerWaalsContact C-N 3.32Å; I1046-F1048 PolarHBondContact O-N 3.38Å; F1048-N1050 VanDerWaalsContact C-N 3.32Å; F1048-W1054 HydrophobicContact CD1-CB 4.37Å; F1048-W1054 HydrophobicContact CD2-CB 3.97Å; F1048-W1054 HydrophobicContact CE1-CB 3.85Å; F1048-W1054 HydrophobicContact CE2-CB 3.41Å; F1048-W1054 VanDerWaalsContact CE2-CB 3.41Å; F1048-W1054 HydrophobicContact CG-CB 4.42Å; F1048-W1054 HydrophobicContact CZ-CB 3.34Å; F1048-W1054 HydrophobicContact CZ-CG 4.46Å |
| 1049 | L | 51.7 | Low | 41.1 | Very low | 11 Ų | 11 | 85.3 Ų | 85.3 | 6% | 0.058 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -69.6 | -32 | 175.6 | -71.1 | 171.6 | 0 | 0 | 0 | 111.3 | V1045 I1046 F1092 L1128 M1132 | V1045-L1049 HydrophobicContact CG1-CD1 3.75Å; V1045-L1049 HydrophobicContact CG1-CG 4.19Å; V1045-L1049 VanDerWaalsContact O-CB 3.23Å; V1045-L1049 WeakPolarHBondContact O-CB 3.37Å; V1045-L1049 WeakPolarHBondContact O-CG 3.47Å; V1045-L1049 PolarHBondContact O-N 2.73Å; I1046-L1049 PolarHBondContact O-N 3.31Å; L1049-F1092 HydrophobicContact CD1-CE1 4.39Å; L1049-F1092 HydrophobicContact CD2-CD1 4.26Å; L1049-L1128 HydrophobicContact CD1-CD1 4.08Å; L1049-M1132 HydrophobicContact CD2-SD 4.13Å |
| 1050 | N | 50 | Low | 41.1 | Very low | 94 Ų | 94 | 82.8 Ų | 82.8 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -90.2 | -22.2 | 177.4 | -67.4 | -19.9 | 0 | 0 | 0 | 113 | I1046 F1048 | I1046-N1050 WeakPolarHBondContact CG2-ND2 3.49Å; I1046-N1050 WeakPolarHBondContact O-CA 3Å; I1046-N1050 WeakPolarHBondContact O-CB 2.95Å; I1046-N1050 PolarHBondContact O-N 3.49Å; I1046-N1050 PolarHBondContact O-ND2 3.49Å; F1048-N1050 VanDerWaalsContact C-N 3.32Å |
| 1051 | S | 47 | Very low | 41.1 | Very low | 28 Ų | 28 | 79.6 Ų | 79.6 | 20% | 0.196 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -75.9 | 143.9 | -180 | 169.9 | 0 | 0 | 0 | 0 | 109.1 | D1047 T1053 W1054 | D1047-S1051 WeakPolarHBondContact O-CA 3.37Å; D1047-S1051 WeakPolarHBondContact O-CB 3.04Å; D1047-S1051 PolarHBondContact O-N 3.11Å; S1051-T1053 PolarHBondContact O-N 3.2Å; S1051-T1053 VanDerWaalsContact OG-CB 3.25Å; S1051-T1053 WeakPolarHBondContact OG-CB 3.3Å; S1051-T1053 VanDerWaalsContact OG-CG2 3.23Å; S1051-T1053 WeakPolarHBondContact OG-CG2 3.41Å; S1051-T1053 PolarHBondContact OG-N 3.45Å; S1051-T1053 PolarHBondContact OG-OG1 2.97Å; S1051-W1054 PolarHBondContact O-NE1 3.21Å |
| 1052 | P | 44.6 | Very low | 40.9 | Very low | 93 Ų | 93 | 78 Ų | 78 | 60% | 0.604 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -72.8 | 3.3 | 166.3 | 30.6 | -33.7 | 0 | 0 | 0 | 113 | I1055 | P1052-I1055 WeakPolarHBondContact O-CB 3.38Å; P1052-I1055 WeakPolarHBondContact O-CG2 3.47Å; P1052-I1055 PolarHBondContact O-N 3.4Å |
| 1053 | T | 42.7 | Very low | 40.3 | Very low | 70 Ų | 70 | 84.1 Ų | 84.1 | 43% | 0.429 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -80.7 | -21.5 | -174.2 | 59.4 | 0 | 0 | 0 | 0 | 114.8 | S1051 I1055 Q1056 | S1051-T1053 PolarHBondContact O-N 3.2Å; S1051-T1053 VanDerWaalsContact OG-CB 3.25Å; S1051-T1053 WeakPolarHBondContact OG-CB 3.3Å; S1051-T1053 VanDerWaalsContact OG-CG2 3.23Å; S1051-T1053 WeakPolarHBondContact OG-CG2 3.41Å; S1051-T1053 PolarHBondContact OG-N 3.45Å; S1051-T1053 PolarHBondContact OG-OG1 2.97Å; T1053-I1055 PolarHBondContact O-N 3.31Å; T1053-Q1056 PolarHBondContact O-N 3.38Å |
| 1054 | W | 47.8 | Very low | 39.3 | Very low | 11 Ų | 11 | 88.1 Ų | 88.1 | 4% | 0.042 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -70.4 | 5.2 | 167.9 | 76.6 | -70.6 | 0 | 0 | 0 | 113.1 | F1048 S1051 P1087 L1088 M1132 | F1048-W1054 HydrophobicContact CD1-CB 4.37Å; F1048-W1054 HydrophobicContact CD2-CB 3.97Å; F1048-W1054 HydrophobicContact CE1-CB 3.85Å; F1048-W1054 HydrophobicContact CE2-CB 3.41Å; F1048-W1054 VanDerWaalsContact CE2-CB 3.41Å; F1048-W1054 HydrophobicContact CG-CB 4.42Å; F1048-W1054 HydrophobicContact CZ-CB 3.34Å; F1048-W1054 HydrophobicContact CZ-CG 4.46Å; S1051-W1054 PolarHBondContact O-NE1 3.21Å; W1054-P1087 HydrophobicContact CE3-CB 3.94Å; W1054-P1087 HydrophobicContact CH2-CB 3.63Å; W1054-P1087 HydrophobicContact CH2-CG 3.41Å; W1054-P1087 VanDerWaalsContact CH2-CG 3.41Å; W1054-P1087 HydrophobicContact CZ3-CB 3.12Å; W1054-P1087 HydrophobicContact CZ3-CG 3.4Å; W1054-P1087 VanDerWaalsContact CZ3-CG 3.4Å; W1054-L1088 WeakPolarHBondContact O-CB 3.07Å; W1054-L1088 WeakPolarHBondContact O-CD1 3.46Å; W1054-L1088 PolarHBondContact O-N 3.49Å; W1054-M1132 HydrophobicContact CE3-CE 4.36Å; W1054-M1132 HydrophobicContact CH2-CE 3.09Å; W1054-M1132 HydrophobicContact CZ2-CE 3.38Å; W1054-M1132 HydrophobicContact CZ3-CE 3.52Å |
| 1055 | I | 37.3 | Very low | 38.1 | Very low | 32 Ų | 32 | 83.8 Ų | 83.8 | 16% | 0.164 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -109.2 | -23.2 | 173.8 | -93.6 | 163.3 | 0 | 0 | 0 | 110.2 | P1052 T1053 P1084 | P1052-I1055 WeakPolarHBondContact O-CB 3.38Å; P1052-I1055 WeakPolarHBondContact O-CG2 3.47Å; P1052-I1055 PolarHBondContact O-N 3.4Å; T1053-I1055 PolarHBondContact O-N 3.31Å; I1055-P1084 HydrophobicContact CB-CB 4.24Å; I1055-P1084 HydrophobicContact CG1-CB 4.3Å; I1055-P1084 HydrophobicContact CG2-CB 3.15Å; I1055-P1084 HydrophobicContact CG2-CG 3.41Å; I1055-P1084 VanDerWaalsContact CG2-CG 3.41Å |
| 1056 | Q | 34.2 | Very low | 36.6 | Very low | 124 Ų | 124 | 88.8 Ų | 88.8 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -76.6 | 132.3 | 180 | -77.5 | -173.3 | -26.4 | 0 | 0 | 109.9 | T1053 L1058 | T1053-Q1056 PolarHBondContact O-N 3.38Å; Q1056-L1058 PolarHBondContact O-N 2.96Å; Q1056-L1058 VanDerWaalsContact O-N 3.12Å |
| 1057 | P | 27.8 | Very low | 35.2 | Very low | 112 Ų | 112 | 92.8 Ų | 92.8 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | trans | -59.5 | 118.1 | 175.1 | -16.1 | 27.5 | 0 | 0 | 0 | 109.4 | T1059 | P1057-T1059 PolarHBondContact O-N 2.68Š| ||
| 1058 | L | 28.9 | Very low | 33.8 | Very low | 141 Ų | 141 | 95.8 Ų | 95.8 | 74% | 0.738 | 57% | 0.569 | S | S | * | * | trans | -66.6 | 107.4 | 163.7 | -84.8 | 162.5 | 0 | 0 | 0 | 106.9 | Q1056 T1060 | Q1056-L1058 PolarHBondContact O-N 2.96Å; Q1056-L1058 VanDerWaalsContact O-N 3.12Å; L1058-T1060 VanDerWaalsContact C-N 3.31Å; L1058-T1060 PolarHBondContact O-N 2.96Å | ||
| 1059 | T | 30.4 | Very low | 32.5 | Very low | 125 Ų | 125 | 99.9 Ų | 99.9 | 77% | 0.767 | 59% | 0.593 | S | S | * | * | trans | -57.4 | 99.9 | 164.1 | 48.9 | 0 | 0 | 0 | 0 | 107.5 | P1057 I1061 | P1057-T1059 PolarHBondContact O-N 2.68Å; T1059-I1061 PolarHBondContact O-N 2.99Å | ||
| 1060 | T | 25.5 | Very low | 31.3 | Very low | 110 Ų | 110 | 108.3 Ų | 108.3 | 68% | 0.675 | 63% | 0.629 | S | S | * | * | trans | 8.1 | 96.4 | 163.9 | 35 | 0 | 0 | 0 | 0 | 115.4 | L1058 T1062 | L1058-T1060 VanDerWaalsContact C-N 3.31Å; L1058-T1060 PolarHBondContact O-N 2.96Å; T1060-T1062 HydrophobicContact CG2-CG2 4.13Å; T1060-T1062 PolarHBondContact O-N 3.12Å | ||
| 1061 | I | 24.5 | Very low | 30 | Very low | 153 Ų | 153 | 108.9 Ų | 108.9 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | trans | -76.3 | 76.2 | 148.7 | -56.4 | 172.2 | 0 | 0 | 0 | 105.5 | T1059 | T1059-I1061 PolarHBondContact O-N 2.99Š| ||
| 1062 | T | 25.3 | Very low | 29 | Very low | 92 Ų | 92 | 115.1 Ų | 115.1 | 56% | 0.564 | 67% | 0.672 | S | S | * | * | trans | -97.8 | 120.7 | 162.1 | 44.8 | 0 | 0 | 0 | 0 | 107.1 | T1060 T1064 | T1060-T1062 HydrophobicContact CG2-CG2 4.13Å; T1060-T1062 PolarHBondContact O-N 3.12Å; T1062-T1064 PolarHBondContact O-N 3.33Å | ||
| 1063 | N | 24.2 | Very low | 28.1 | Very low | 161 Ų | 161 | 119.3 Ų | 119.3 | 86% | 0.861 | 68% | 0.683 | S | S | * | * | trans | -57.4 | 70.6 | 175.4 | -73.1 | -28.8 | 0 | 0 | 0 | 112.8 | ||||
| 1064 | T | 25 | Very low | 27.3 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | trans | -128.9 | 91.3 | 167 | 47.8 | 0 | 0 | 0 | 0 | 107.7 | T1062 | T1062-T1064 PolarHBondContact O-N 3.33Š| ||
| 1065 | A | 23.4 | Very low | 26.2 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 72% | 0.719 | 73% | 0.732 | S | S | * | * | trans | -49.1 | 138.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1066 | S | 21.1 | Very low | 25.5 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | 52 | 87.1 | 148.6 | 48.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1067 | S | 23.3 | Very low | 25.2 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -138.4 | 112.9 | 143.6 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | I1069 | S1067-I1069 PolarHBondContact O-N 3.3Š| ||
| 1068 | T | 22.3 | Very low | 25 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -53.3 | 116.2 | 169.8 | 34.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1069 | I | 26.5 | Very low | 24.8 | Very low | 163 Ų | 163 | 142 Ų | 142 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -133.5 | 132.7 | 156.1 | -61.1 | -177.8 | 0 | 0 | 0 | 109.5 | S1067 | S1067-I1069 PolarHBondContact O-N 3.3Š| ||
| 1070 | K | 25 | Very low | 24.4 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -65.9 | 144.8 | -169.1 | -69.2 | 163.7 | 171.6 | 175.9 | 0 | 112.5 | N1072 | K1070-N1072 PolarHBondContact O-N 3.13Š| ||
| 1071 | S | 24 | Very low | 24.6 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -44.5 | 116.6 | 161.2 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1072 | N | 25.7 | Very low | 24.8 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -122.9 | 121.3 | 154.4 | -86.4 | -12.4 | 0 | 0 | 0 | 108.2 | K1070 | K1070-N1072 PolarHBondContact O-N 3.13Š| ||
| 1073 | H | 24.8 | Very low | 25.1 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -58.2 | 129.3 | 169.5 | -73.6 | -92.8 | 0 | 0 | 0 | 110.6 | ||||
| 1074 | E | 26.8 | Very low | 25.7 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -156 | 105.2 | 151.7 | -112.5 | 170.3 | -157.5 | 0 | 0 | 110.8 | ||||
| 1075 | S | 25.3 | Very low | 26.8 | Very low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | trans | 35.2 | 104.3 | 141.1 | 41.1 | 0 | 0 | 0 | 0 | 120.2 | K1077 | S1075-K1077 PolarHBondContact O-N 3.37Š| ||
| 1076 | T | 22.7 | Very low | 28.1 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | 4.1 | 102.1 | 131 | 50.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1077 | K | 26.2 | Very low | 29.8 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | trans | -132.2 | 104.9 | 150.6 | -86.3 | -177.2 | 177.7 | 172.8 | 0 | 108.6 | S1075 Y1079 | S1075-K1077 PolarHBondContact O-N 3.37Å; K1077-Y1079 VanDerWaalsContact C-N 3.32Å; K1077-Y1079 HydrophobicContact CB-CD2 4.35Å; K1077-Y1079 PolarHBondContact O-N 3.47Å | ||
| 1078 | E | 23.7 | Very low | 31.5 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 69% | 0.691 | S | S | * | * | trans | -60.8 | 88 | 169.4 | -69 | 173.2 | 142.3 | 0 | 0 | 109.9 | ||||
| 1079 | Y | 25.1 | Very low | 33.6 | Very low | 190 Ų | 190 | 130 Ų | 130 | 75% | 0.745 | 68% | 0.679 | S | S | * | * | trans | -100.5 | 88.3 | 155.6 | -81.6 | -83 | 0 | 0 | 0 | 107.2 | K1077 V1081 | K1077-Y1079 VanDerWaalsContact C-N 3.32Å; K1077-Y1079 HydrophobicContact CB-CD2 4.35Å; K1077-Y1079 PolarHBondContact O-N 3.47Å; Y1079-V1081 PolarHBondContact O-N 2.98Å | ||
| 1080 | N | 22.9 | Very low | 35.5 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | trans | -66.8 | 77.2 | 160.7 | -80 | -33.5 | 0 | 0 | 0 | 108.1 | L1082 | N1080-L1082 PolarHBondContact O-N 3.43Š| ||
| 1081 | V | 28.4 | Very low | 37.7 | Very low | 107 Ų | 107 | 119.8 Ų | 119.8 | 65% | 0.648 | 64% | 0.636 | S | S | * | * | trans | -69.5 | 90.4 | 163.7 | 176.9 | 0 | 0 | 0 | 0 | 106.6 | Y1079 L1083 | Y1079-V1081 PolarHBondContact O-N 2.98Å; V1081-L1083 HydrophobicContact CG1-CB 4.16Å; V1081-L1083 HydrophobicContact CG1-CD1 4.01Å; V1081-L1083 PolarHBondContact O-N 2.92Å | ||
| 1082 | L | 28.3 | Very low | 40 | Very low | 157 Ų | 157 | 115.1 Ų | 115.1 | 82% | 0.822 | 60% | 0.603 | S | S | * | * | trans | -75.7 | 69 | 164.3 | -66.8 | 169.2 | 0 | 0 | 0 | 108.7 | N1080 | N1080-L1082 PolarHBondContact O-N 3.43Š| ||
| 1083 | L | 32.1 | Very low | 42.3 | Very low | 149 Ų | 149 | 107.5 Ų | 107.5 | 78% | 0.78 | 56% | 0.562 | S | S | * | * | trans | -120.2 | 98.3 | 156.9 | -93.4 | 101.9 | 0 | 0 | 0 | 106.8 | V1081 | V1081-L1083 HydrophobicContact CG1-CB 4.16Å; V1081-L1083 HydrophobicContact CG1-CD1 4.01Å; V1081-L1083 PolarHBondContact O-N 2.92Å | ||
| 1084 | P | 37.7 | Very low | 44.7 | Very low | 55 Ų | 55 | 99.1 Ų | 99.1 | 36% | 0.357 | 52% | 0.523 | S | S | . | . | trans | -159.6 | 122.3 | 132.9 | 33.5 | -12.4 | 0 | 0 | 0 | 115.9 | I1055 | I1055-P1084 HydrophobicContact CB-CB 4.24Å; I1055-P1084 HydrophobicContact CG1-CB 4.3Å; I1055-P1084 HydrophobicContact CG2-CB 3.15Å; I1055-P1084 HydrophobicContact CG2-CG 3.41Å; I1055-P1084 VanDerWaalsContact CG2-CG 3.41Å | ||
| 1085 | Y | 48.7 | Very low | 47.2 | Very low | 127 Ų | 127 | 92.9 Ų | 92.9 | 50% | 0.498 | 49% | 0.494 | S | S | . | . | trans | -145.6 | 40.3 | 158.8 | -63.3 | -74 | 0 | 0 | 0 | 110.7 | N1149 V1151 Y1152 | Y1085-N1149 WeakPolarHBondContact CD1-ND2 3.34Å; Y1085-N1149 WeakPolarHBondContact CD2-ND2 3.19Å; Y1085-N1149 WeakPolarHBondContact CE1-ND2 3.33Å; Y1085-V1151 HydrophobicContact CD2-CG2 4.05Å; Y1085-V1151 HydrophobicContact CG-CG2 4.49Å; Y1085-Y1152 VanDerWaalsContact O-CE1 3.25Å; Y1085-Y1152 WeakPolarHBondContact O-CE1 3.4Å; Y1085-Y1152 PolarHBondContact O-OH 3.44Å | ||
| 1086 | C | 49.9 | Very low | 49.9 | Very low | 83 Ų | 83 | 88.5 Ų | 88.5 | 56% | 0.561 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -121.8 | 140.4 | 173.8 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | L1088 | C1086-L1088 PolarHBondContact O-N 3.4Š|
| 1087 | P | 55.6 | Low | 52.6 | Low | 9 Ų | 9 | 83.4 Ų | 83.4 | 6% | 0.058 | 43% | 0.428 | C | S | . | . | trans | -44.1 | 137.4 | 164 | -25.6 | 25.6 | 0 | 0 | 0 | 115.3 | W1054 A1089 D1094 | W1054-P1087 HydrophobicContact CE3-CB 3.94Å; W1054-P1087 HydrophobicContact CH2-CB 3.63Å; W1054-P1087 HydrophobicContact CH2-CG 3.41Å; W1054-P1087 VanDerWaalsContact CH2-CG 3.41Å; W1054-P1087 HydrophobicContact CZ3-CB 3.12Å; W1054-P1087 HydrophobicContact CZ3-CG 3.4Å; W1054-P1087 VanDerWaalsContact CZ3-CG 3.4Å; P1087-A1089 PolarHBondContact O-N 3.25Å; P1087-A1089 VanDerWaalsContact O-N 3.14Å; P1087-D1094 HydrophobicContact CB-CB 3.33Å; P1087-D1094 HydrophobicContact CG-CB 4.12Å | ||
| 1088 | L | 59.2 | Low | 55.3 | Low | 62 Ų | 62 | 81.9 Ų | 81.9 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | trans | -51.1 | 124.5 | 160.7 | -114.6 | 88 | 0 | 0 | 0 | 107.5 | W1054 C1086 N1090 S1091 D1094 | W1054-L1088 WeakPolarHBondContact O-CB 3.07Å; W1054-L1088 WeakPolarHBondContact O-CD1 3.46Å; W1054-L1088 PolarHBondContact O-N 3.49Å; C1086-L1088 PolarHBondContact O-N 3.4Å; L1088-N1090 PolarHBondContact O-N 2.71Å; L1088-S1091 WeakPolarHBondContact O-CB 3.39Å; L1088-S1091 PolarHBondContact O-N 3.39Å; L1088-S1091 PolarHBondContact O-OG 3.1Å; L1088-D1094 WeakPolarHBondContact O-CB 3.34Å | ||
| 1089 | A | 67.5 | Low | 58.3 | Low | 75 Ų | 75 | 73.8 Ų | 73.8 | 62% | 0.62 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 131 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P1087 S1091 D1094 | P1087-A1089 PolarHBondContact O-N 3.25Å; P1087-A1089 VanDerWaalsContact O-N 3.14Å; A1089-S1091 PolarHBondContact O-N 2.9Å; A1089-D1094 WeakPolarHBondContact CA-OD2 3.43Å |
| 1090 | N | 65.2 | Low | 61.3 | Low | 119 Ų | 119 | 67 Ų | 67 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 6.5 | -176 | -53.4 | -38.3 | 0 | 0 | 0 | 116.1 | L1088 D1094 Q1095 | L1088-N1090 PolarHBondContact O-N 2.71Å; N1090-D1094 PolarHBondContact N-OD2 3.25Å; N1090-Q1095 PolarHBondContact O-NE2 2.68Å |
| 1091 | S | 71.1 | Confident | 64.5 | Low | 18 Ų | 18 | 61.7 Ų | 61.7 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -62.3 | 161.3 | 168 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | L1088 A1089 G1093 D1094 Q1095 | L1088-S1091 WeakPolarHBondContact O-CB 3.39Å; L1088-S1091 PolarHBondContact O-N 3.39Å; L1088-S1091 PolarHBondContact O-OG 3.1Å; A1089-S1091 PolarHBondContact O-N 2.9Å; S1091-G1093 VanDerWaalsContact C-N 3.27Å; S1091-G1093 PolarHBondContact O-N 3.34Å; S1091-D1094 WeakPolarHBondContact O-CB 3.3Å; S1091-D1094 PolarHBondContact O-N 3.47Å; S1091-D1094 VanDerWaalsContact O-N 3.17Å; S1091-D1094 PolarHBondContact OG-N 2.77Å; S1091-Q1095 WeakPolarHBondContact O-CG 3.46Å; S1091-Q1095 PolarHBondContact O-N 3.2Å; S1091-Q1095 VanDerWaalsContact O-N 3.11Å |
| 1092 | F | 73.9 | Confident | 67.5 | Low | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.1 | -43.2 | 175.6 | 175.4 | -115.3 | 0 | 0 | 0 | 111.8 | L982 L986 F1011 L1015 V1045 L1049 D1094 Q1095 V1096 | L982-F1092 HydrophobicContact CB-CD2 3.76Å; L982-F1092 HydrophobicContact CB-CE2 3.61Å; L982-F1092 HydrophobicContact CB-CG 4.33Å; L982-F1092 HydrophobicContact CB-CZ 4.05Å; L982-F1092 HydrophobicContact CD1-CE1 4.44Å; L986-F1092 HydrophobicContact CD2-CE2 4.11Å; F1011-F1092 HydrophobicContact CE1-CE2 4.22Å; F1011-F1092 AromaticContact CE1-CZ 3.97Å; F1011-F1092 HydrophobicContact CE1-CZ 3.97Å; F1011-F1092 HydrophobicContact CZ-CE2 4.07Å; F1011-F1092 HydrophobicContact CZ-CZ 4.01Å; L1015-F1092 HydrophobicContact CD1-CE1 4.01Å; L1015-F1092 HydrophobicContact CD1-CZ 3.67Å; V1045-F1092 HydrophobicContact CG1-CE1 4.41Å; L1049-F1092 HydrophobicContact CD1-CE1 4.39Å; L1049-F1092 HydrophobicContact CD2-CD1 4.26Å; F1092-D1094 PolarHBondContact O-N 3.33Å; F1092-Q1095 PolarHBondContact O-N 2.66Å; F1092-V1096 HydrophobicContact CD1-CG2 4.3Å; F1092-V1096 HydrophobicContact CD2-CG2 4.18Å; F1092-V1096 HydrophobicContact CE1-CG2 3.83Å; F1092-V1096 HydrophobicContact CE2-CG2 3.68Å; F1092-V1096 HydrophobicContact CG-CG2 4.46Å; F1092-V1096 HydrophobicContact CZ-CG2 3.48Å; F1092-V1096 VanDerWaalsContact CZ-CG2 3.48Å; F1092-V1096 WeakPolarHBondContact O-CG2 3.48Å; F1092-V1096 PolarHBondContact O-N 3.46Å |
| 1093 | G | 72.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1091 Q1095 V1096 Y1097 | S1091-G1093 VanDerWaalsContact C-N 3.27Å; S1091-G1093 PolarHBondContact O-N 3.34Å; G1093-Q1095 VanDerWaalsContact C-N 3.3Å; G1093-Q1095 PolarHBondContact O-N 3.38Å; G1093-V1096 PolarHBondContact O-N 3.16Å; G1093-Y1097 WeakPolarHBondContact O-CB 3.29Å; G1093-Y1097 PolarHBondContact O-N 3.29Å |
| 1094 | D | 75.2 | Confident | 73.4 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 174.5 | -168.9 | 31 | 0 | 0 | 0 | 111.5 | P1087 L1088 A1089 N1090 S1091 F1092 Y1097 R1098 | P1087-D1094 HydrophobicContact CB-CB 3.33Å; P1087-D1094 HydrophobicContact CG-CB 4.12Å; L1088-D1094 WeakPolarHBondContact O-CB 3.34Å; A1089-D1094 WeakPolarHBondContact CA-OD2 3.43Å; N1090-D1094 PolarHBondContact N-OD2 3.25Å; S1091-D1094 WeakPolarHBondContact O-CB 3.3Å; S1091-D1094 PolarHBondContact O-N 3.47Å; S1091-D1094 VanDerWaalsContact O-N 3.17Å; S1091-D1094 PolarHBondContact OG-N 2.77Å; F1092-D1094 PolarHBondContact O-N 3.33Å; D1094-Y1097 PolarHBondContact O-N 2.61Å; D1094-R1098 VanDerWaalsContact CG-CZ 3.45Å; D1094-R1098 VanDerWaalsContact CG-NE 3.32Å; D1094-R1098 WeakPolarHBondContact O-CB 3.34Å; D1094-R1098 VanDerWaalsContact O-CG 3.3Å; D1094-R1098 WeakPolarHBondContact O-CG 3.42Å; D1094-R1098 PolarHBondContact O-N 3.33Å; D1094-R1098 IonicContact OD1-CZ 3.83Å; D1094-R1098 VanDerWaalsContact OD1-CZ 3.23Å; D1094-R1098 IonicContact OD1-NE 3.47Å; D1094-R1098 PolarHBondContact OD1-NE 3.33Å; D1094-R1098 IonicContact OD1-NH2 3.23Å; D1094-R1098 PolarHBondContact OD1-NH2 3.19Å; D1094-R1098 VanDerWaalsContact OD1-NH2 3.09Å; D1094-R1098 IonicContact OD2-CZ 2.66Å; D1094-R1098 IonicContact OD2-NE 3.09Å; D1094-R1098 PolarHBondContact OD2-NE 3.07Å; D1094-R1098 IonicContact OD2-NH1 2.85Å; D1094-R1098 PolarHBondContact OD2-NH1 2.98Å; D1094-R1098 IonicContact OD2-NH2 2.95Å; D1094-R1098 PolarHBondContact OD2-NH2 2.81Å |
| 1095 | Q | 79.8 | Confident | 76 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.6 | -40 | 179.8 | -65.5 | -173 | 33.9 | 0 | 0 | 112.8 | S983 L986 N1090 S1091 F1092 G1093 Y1097 F1099 | S983-Q1095 VanDerWaalsContact CB-OE1 3.31Å; S983-Q1095 PolarHBondContact O-OE1 2.92Å; L986-Q1095 HydrophobicContact CD2-CB 4.34Å; N1090-Q1095 PolarHBondContact O-NE2 2.68Å; S1091-Q1095 WeakPolarHBondContact O-CG 3.46Å; S1091-Q1095 PolarHBondContact O-N 3.2Å; S1091-Q1095 VanDerWaalsContact O-N 3.11Å; F1092-Q1095 PolarHBondContact O-N 2.66Å; G1093-Q1095 VanDerWaalsContact C-N 3.3Å; G1093-Q1095 PolarHBondContact O-N 3.38Å; Q1095-Y1097 VanDerWaalsContact C-N 3.29Å; Q1095-Y1097 PolarHBondContact O-N 2.65Å; Q1095-F1099 WeakPolarHBondContact O-CB 3.27Å; Q1095-F1099 PolarHBondContact O-N 3.18Å |
| 1096 | V | 81.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 172.7 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | L986 F1012 F1092 G1093 F1099 W1125 L1128 L1129 | L986-V1096 HydrophobicContact CD2-CB 4.29Å; L986-V1096 HydrophobicContact CD2-CG2 3.62Å; F1012-V1096 HydrophobicContact CE1-CG1 4.24Å; F1092-V1096 HydrophobicContact CD1-CG2 4.3Å; F1092-V1096 HydrophobicContact CD2-CG2 4.18Å; F1092-V1096 HydrophobicContact CE1-CG2 3.83Å; F1092-V1096 HydrophobicContact CE2-CG2 3.68Å; F1092-V1096 HydrophobicContact CG-CG2 4.46Å; F1092-V1096 HydrophobicContact CZ-CG2 3.48Å; F1092-V1096 VanDerWaalsContact CZ-CG2 3.48Å; F1092-V1096 WeakPolarHBondContact O-CG2 3.48Å; F1092-V1096 PolarHBondContact O-N 3.46Å; G1093-V1096 PolarHBondContact O-N 3.16Å; V1096-F1099 VanDerWaalsContact O-CB 3.25Å; V1096-F1099 WeakPolarHBondContact O-CB 3.31Å; V1096-F1099 PolarHBondContact O-N 3.35Å; V1096-W1125 PolarHBondContact O-NE1 3.16Å; V1096-L1128 HydrophobicContact CG1-CD2 4.04Å; V1096-L1129 HydrophobicContact CG1-CD2 3.78Å; V1096-L1129 HydrophobicContact CG1-CG 4.23Å |
| 1097 | Y | 80 | Confident | 80.2 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 13% | 0.129 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.1 | -49.5 | 179 | -178.7 | -107.3 | 0 | 0 | 0 | 112.2 | G1093 D1094 Q1095 F1099 Y1100 L1129 L1133 Y1152 V1155 | G1093-Y1097 WeakPolarHBondContact O-CB 3.29Å; G1093-Y1097 PolarHBondContact O-N 3.29Å; D1094-Y1097 PolarHBondContact O-N 2.61Å; Q1095-Y1097 VanDerWaalsContact C-N 3.29Å; Q1095-Y1097 PolarHBondContact O-N 2.65Å; Y1097-F1099 PolarHBondContact O-N 3.02Å; Y1097-Y1100 WeakPolarHBondContact O-CD1 3.34Å; Y1097-L1129 HydrophobicContact CD2-CD1 4.27Å; Y1097-L1133 HydrophobicContact CE2-CD2 4.1Å; Y1097-Y1152 HydrophobicContact CE2-CD1 4.21Å; Y1097-V1155 HydrophobicContact CE1-CG1 4.31Å; Y1097-V1155 HydrophobicContact CE2-CG1 4.29Å; Y1097-V1155 WeakPolarHBondContact OH-CB 3.2Å; Y1097-V1155 WeakPolarHBondContact OH-CG1 3.38Å; Y1097-V1155 WeakPolarHBondContact OH-CG2 3.37Å |
| 1098 | R | 81.7 | Confident | 82 | Confident | 146 Ų | 146 | 43 Ų | 43 | 55% | 0.551 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -65.8 | -7.6 | 178.5 | -69.2 | 177.9 | -167.9 | -175 | 1.5 | 113.9 | D1094 Y1100 | D1094-R1098 VanDerWaalsContact CG-CZ 3.45Å; D1094-R1098 VanDerWaalsContact CG-NE 3.32Å; D1094-R1098 WeakPolarHBondContact O-CB 3.34Å; D1094-R1098 VanDerWaalsContact O-CG 3.3Å; D1094-R1098 WeakPolarHBondContact O-CG 3.42Å; D1094-R1098 PolarHBondContact O-N 3.33Å; D1094-R1098 IonicContact OD1-CZ 3.83Å; D1094-R1098 VanDerWaalsContact OD1-CZ 3.23Å; D1094-R1098 IonicContact OD1-NE 3.47Å; D1094-R1098 PolarHBondContact OD1-NE 3.33Å; D1094-R1098 IonicContact OD1-NH2 3.23Å; D1094-R1098 PolarHBondContact OD1-NH2 3.19Å; D1094-R1098 VanDerWaalsContact OD1-NH2 3.09Å; D1094-R1098 IonicContact OD2-CZ 2.66Å; D1094-R1098 IonicContact OD2-NE 3.09Å; D1094-R1098 PolarHBondContact OD2-NE 3.07Å; D1094-R1098 IonicContact OD2-NH1 2.85Å; D1094-R1098 PolarHBondContact OD2-NH1 2.98Å; D1094-R1098 IonicContact OD2-NH2 2.95Å; D1094-R1098 PolarHBondContact OD2-NH2 2.81Å; R1098-Y1100 VanDerWaalsContact C-N 3.32Å; R1098-Y1100 PolarHBondContact O-N 3.03Å |
| 1099 | F | 87.2 | Confident | 83.7 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -18.7 | -176 | -142.2 | -97.8 | 0 | 0 | 0 | 114.2 | L986 L993 L1008 Q1095 V1096 Y1097 G1101 N1102 F1103 | L986-F1099 HydrophobicContact CD1-CD1 4.34Å; L986-F1099 HydrophobicContact CD1-CD2 3.92Å; L986-F1099 HydrophobicContact CD1-CE1 4.06Å; L986-F1099 HydrophobicContact CD1-CE2 3.63Å; L986-F1099 HydrophobicContact CD1-CG 4.23Å; L986-F1099 HydrophobicContact CD1-CZ 3.63Å; L986-F1099 HydrophobicContact CD2-CD2 4.06Å; L986-F1099 HydrophobicContact CD2-CE2 4.36Å; L986-F1099 HydrophobicContact CG-CD2 3.73Å; L986-F1099 HydrophobicContact CG-CE2 3.52Å; L986-F1099 HydrophobicContact CG-CG 4.44Å; L986-F1099 HydrophobicContact CG-CZ 4.05Å; L986-F1099 WeakPolarHBondContact O-CE2 3.24Å; L986-F1099 WeakPolarHBondContact O-CZ 3.48Å; L993-F1099 HydrophobicContact CD1-CE1 3.91Å; L1008-F1099 HydrophobicContact CD1-CE1 3.8Å; L1008-F1099 HydrophobicContact CD1-CZ 4.42Å; L1008-F1099 HydrophobicContact CD2-CE1 3.88Å; L1008-F1099 HydrophobicContact CD2-CZ 4.1Å; Q1095-F1099 WeakPolarHBondContact O-CB 3.27Å; Q1095-F1099 PolarHBondContact O-N 3.18Å; V1096-F1099 VanDerWaalsContact O-CB 3.25Å; V1096-F1099 WeakPolarHBondContact O-CB 3.31Å; V1096-F1099 PolarHBondContact O-N 3.35Å; Y1097-F1099 PolarHBondContact O-N 3.02Å; F1099-G1101 PolarHBondContact O-N 3.31Å; F1099-G1101 VanDerWaalsContact O-N 3.13Å; F1099-N1102 HydrophobicContact CD1-CB 4.38Å; F1099-N1102 HydrophobicContact CE1-CB 4.44Å; F1099-N1102 WeakPolarHBondContact O-CB 3.15Å; F1099-N1102 PolarHBondContact O-N 3.02Å; F1099-F1103 HydrophobicContact CB-CZ 4.41Å; F1099-F1103 HydrophobicContact CD1-CD1 4.3Å; F1099-F1103 AromaticContact CD1-CE1 3.47Å; F1099-F1103 HydrophobicContact CD1-CE1 3.47Å; F1099-F1103 VanDerWaalsContact CD1-CE1 3.47Å; F1099-F1103 AromaticContact CD1-CZ 3.6Å; F1099-F1103 HydrophobicContact CD1-CZ 3.6Å; F1099-F1103 AromaticContact CE1-CE1 3.9Å; F1099-F1103 HydrophobicContact CE1-CE1 3.9Å; F1099-F1103 HydrophobicContact CE1-CZ 4.38Å; F1099-F1103 HydrophobicContact CG-CZ 4.48Å |
| 1100 | Y | 88.6 | Confident | 84.8 | Confident | 48 Ų | 48 | 41.7 Ų | 41.7 | 19% | 0.188 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.1 | -31 | -173.1 | 79.4 | -98.9 | 0 | 0 | 0 | 113.7 | Y1097 R1098 N1102 F1103 I1104 V1155 F1159 | Y1097-Y1100 WeakPolarHBondContact O-CD1 3.34Å; R1098-Y1100 VanDerWaalsContact C-N 3.32Å; R1098-Y1100 PolarHBondContact O-N 3.03Å; Y1100-N1102 PolarHBondContact O-N 3.13Å; Y1100-F1103 WeakPolarHBondContact O-CA 3.41Å; Y1100-F1103 WeakPolarHBondContact O-CB 3.24Å; Y1100-F1103 PolarHBondContact O-N 2.8Å; Y1100-I1104 HydrophobicContact CD2-CG1 4.42Å; Y1100-I1104 PolarHBondContact O-N 2.91Å; Y1100-V1155 HydrophobicContact CD1-CG1 4.27Å; Y1100-V1155 HydrophobicContact CE1-CG1 3.53Å; Y1100-F1159 AromaticContact CD2-CD2 3.74Å; Y1100-F1159 HydrophobicContact CD2-CD2 3.74Å; Y1100-F1159 HydrophobicContact CG-CD2 4.14Å |
| 1101 | G | 89.2 | Confident | 86.2 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.7 | -31.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1099 K1105 | F1099-G1101 PolarHBondContact O-N 3.31Å; F1099-G1101 VanDerWaalsContact O-N 3.13Å; G1101-K1105 PolarHBondContact O-N 3.21Å |
| 1102 | N | 91 | Very high | 87.3 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.9 | -30.4 | 175.2 | -59.5 | -39.6 | 0 | 0 | 0 | 112.1 | L993 F1099 Y1100 R1106 | L993-N1102 HydrophobicContact CD1-CB 3.92Å; F1099-N1102 HydrophobicContact CD1-CB 4.38Å; F1099-N1102 HydrophobicContact CE1-CB 4.44Å; F1099-N1102 WeakPolarHBondContact O-CB 3.15Å; F1099-N1102 PolarHBondContact O-N 3.02Å; Y1100-N1102 PolarHBondContact O-N 3.13Å; N1102-R1106 PolarHBondContact O-N 3.41Å |
| 1103 | F | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.1 | -42.1 | 175.7 | -52.6 | -32.4 | 0 | 0 | 0 | 111.5 | L993 L1008 F1012 F1099 Y1100 K1105 R1106 L1107 I1118 T1121 I1122 W1125 | L993-F1103 HydrophobicContact CD1-CD1 4.47Å; L1008-F1103 HydrophobicContact CD1-CE1 4.39Å; F1012-F1103 HydrophobicContact CE2-CE1 4.19Å; F1012-F1103 AromaticContact CE2-CZ 3.67Å; F1012-F1103 HydrophobicContact CE2-CZ 3.67Å; F1012-F1103 AromaticContact CZ-CZ 3.97Å; F1012-F1103 HydrophobicContact CZ-CZ 3.97Å; F1099-F1103 HydrophobicContact CB-CZ 4.41Å; F1099-F1103 HydrophobicContact CD1-CD1 4.3Å; F1099-F1103 AromaticContact CD1-CE1 3.47Å; F1099-F1103 HydrophobicContact CD1-CE1 3.47Å; F1099-F1103 VanDerWaalsContact CD1-CE1 3.47Å; F1099-F1103 AromaticContact CD1-CZ 3.6Å; F1099-F1103 HydrophobicContact CD1-CZ 3.6Å; F1099-F1103 AromaticContact CE1-CE1 3.9Å; F1099-F1103 HydrophobicContact CE1-CE1 3.9Å; F1099-F1103 HydrophobicContact CE1-CZ 4.38Å; F1099-F1103 HydrophobicContact CG-CZ 4.48Å; Y1100-F1103 WeakPolarHBondContact O-CA 3.41Å; Y1100-F1103 WeakPolarHBondContact O-CB 3.24Å; Y1100-F1103 PolarHBondContact O-N 2.8Å; F1103-K1105 VanDerWaalsContact C-N 3.29Å; F1103-K1105 PolarHBondContact O-N 2.71Å; F1103-R1106 CarbonylContact O-C 3.56Å; F1103-R1106 PolarHBondContact O-N 2.68Å; F1103-L1107 PolarHBondContact O-N 2.91Å; F1103-I1118 HydrophobicContact CB-CG1 4.11Å; F1103-I1118 HydrophobicContact CD1-CD1 3.66Å; F1103-I1118 HydrophobicContact CD1-CG1 4.16Å; F1103-I1118 HydrophobicContact CE1-CD1 4.35Å; F1103-I1118 HydrophobicContact CG-CD1 4.43Å; F1103-I1118 HydrophobicContact CG-CG1 4.47Å; F1103-T1121 HydrophobicContact CD1-CG2 4.5Å; F1103-T1121 HydrophobicContact CE1-CG2 3.88Å; F1103-T1121 HydrophobicContact CZ-CG2 4.32Å; F1103-I1122 HydrophobicContact CB-CD1 4.02Å; F1103-I1122 HydrophobicContact CB-CG1 3.86Å; F1103-I1122 HydrophobicContact CD2-CG1 3.91Å; F1103-I1122 HydrophobicContact CG-CG1 3.96Å; F1103-W1125 HydrophobicContact CD2-CD2 4.38Å; F1103-W1125 HydrophobicContact CE2-CB 3.99Å; F1103-W1125 AromaticContact CE2-CD1 3.73Å; F1103-W1125 AromaticContact CE2-CD2 3.63Å; F1103-W1125 HydrophobicContact CE2-CD2 3.63Å; F1103-W1125 AromaticContact CE2-CE2 3.9Å; F1103-W1125 HydrophobicContact CE2-CE3 4.17Å; F1103-W1125 AromaticContact CE2-CG 3.52Å; F1103-W1125 HydrophobicContact CE2-CG 3.52Å; F1103-W1125 AromaticContact CE2-NE1 3.91Å; F1103-W1125 HydrophobicContact CZ-CB 4.23Å; F1103-W1125 AromaticContact CZ-CD1 3.99Å; F1103-W1125 HydrophobicContact CZ-CG 4.02Å |
| 1104 | I | 92.5 | Very high | 89.1 | Confident | 18 Ų | 18 | 44.5 Ų | 44.5 | 9% | 0.092 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 176.6 | -59 | -52.1 | 0 | 0 | 0 | 111.1 | Y1100 R1106 L1107 N1108 F1159 N1162 | Y1100-I1104 HydrophobicContact CD2-CG1 4.42Å; Y1100-I1104 PolarHBondContact O-N 2.91Å; I1104-R1106 VanDerWaalsContact C-N 3.29Å; I1104-R1106 PolarHBondContact O-N 3.04Å; I1104-L1107 HydrophobicContact CD1-CD1 4.05Å; I1104-L1107 PolarHBondContact O-N 2.96Å; I1104-N1108 PolarHBondContact O-N 2.92Å; I1104-N1108 PolarHBondContact O-ND2 3.5Å; I1104-F1159 HydrophobicContact CD1-CD2 3.76Å; I1104-F1159 HydrophobicContact CD1-CE2 3.62Å; I1104-F1159 HydrophobicContact CG1-CD2 4.32Å; I1104-F1159 HydrophobicContact CG1-CE2 4.38Å; I1104-N1162 HydrophobicContact CD1-CB 3.72Å; I1104-N1162 HydrophobicContact CG1-CB 4.08Å; I1104-N1162 HydrophobicContact CG2-CB 3.9Å |
| 1105 | K | 91.8 | Very high | 90.1 | Very high | 104 Ų | 104 | 45.3 Ų | 45.3 | 45% | 0.452 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.6 | -38.9 | 174 | -68.8 | 175.4 | -178.2 | 169.8 | 0 | 112.6 | D994 G1101 F1103 N1108 D1109 | D994-K1105 WeakPolarHBondContact OD1-CD 3.45Å; D994-K1105 WeakPolarHBondContact OD2-CD 3.29Å; D994-K1105 IonicContact OD2-NZ 3.3Å; D994-K1105 PolarHBondContact OD2-NZ 2.87Å; G1101-K1105 PolarHBondContact O-N 3.21Å; F1103-K1105 VanDerWaalsContact C-N 3.29Å; F1103-K1105 PolarHBondContact O-N 2.71Å; K1105-N1108 CarbonylContact O-C 3.51Å; K1105-N1108 PolarHBondContact O-N 3.33Å; K1105-D1109 PolarHBondContact O-N 3.29Å |
| 1106 | R | 93.6 | Very high | 90.8 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 12% | 0.121 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -79.1 | -25.8 | 178.7 | -71.1 | -48 | 99.5 | -167.6 | 15.2 | 114.3 | L993 D994 N1102 F1103 I1104 N1108 D1109 I1114 I1118 | L993-R1106 HydrophobicContact CB-CG 4.1Å; L993-R1106 HydrophobicContact CD2-CG 4.06Å; L993-R1106 HydrophobicContact CG-CG 4.47Å; L993-R1106 WeakPolarHBondContact O-CD 3.45Å; L993-R1106 PolarHBondContact O-NE 2.68Å; L993-R1106 PolarHBondContact O-NH2 3.37Å; D994-R1106 IonicContact OD1-CZ 2.85Å; D994-R1106 IonicContact OD1-NE 2.71Å; D994-R1106 IonicContact OD1-NH2 3.54Å; D994-R1106 PolarHBondContact OD1-NH2 3.41Å; N1102-R1106 PolarHBondContact O-N 3.41Å; F1103-R1106 CarbonylContact O-C 3.56Å; F1103-R1106 PolarHBondContact O-N 2.68Å; I1104-R1106 VanDerWaalsContact C-N 3.29Å; I1104-R1106 PolarHBondContact O-N 3.04Å; R1106-N1108 PolarHBondContact O-N 3.26Å; R1106-D1109 IonicContact CZ-OD2 3.16Å; R1106-D1109 IonicContact NH1-OD2 2.75Å; R1106-D1109 PolarHBondContact NH1-OD2 2.79Å; R1106-D1109 WeakPolarHBondContact O-CB 3.28Å; R1106-D1109 PolarHBondContact O-N 3.19Å; R1106-D1109 VanDerWaalsContact O-N 3.08Å; R1106-I1114 HydrophobicContact CB-CG2 4.39Å; R1106-I1114 HydrophobicContact CG-CG2 4.5Å; R1106-I1118 HydrophobicContact CB-CB 4.02Å; R1106-I1118 HydrophobicContact CB-CD1 4.05Å; R1106-I1118 HydrophobicContact CB-CG1 3.8Å; R1106-I1118 HydrophobicContact CB-CG2 4.09Å; R1106-I1118 HydrophobicContact CG-CD1 4.29Å |
| 1107 | L | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -28.6 | 168.6 | -75.3 | 170.6 | 0 | 0 | 0 | 111.7 | F1103 I1104 D1109 R1115 I1118 I1122 L1163 H1166 | F1103-L1107 PolarHBondContact O-N 2.91Å; I1104-L1107 HydrophobicContact CD1-CD1 4.05Å; I1104-L1107 PolarHBondContact O-N 2.96Å; L1107-D1109 VanDerWaalsContact C-N 3.35Å; L1107-R1115 PolarHBondContact O-NE 3.39Å; L1107-R1115 PolarHBondContact O-NH2 3.27Å; L1107-I1118 HydrophobicContact CD2-CG2 3.75Å; L1107-I1118 HydrophobicContact CG-CG2 3.97Å; L1107-I1122 HydrophobicContact CD1-CD1 3.86Å; L1107-I1122 HydrophobicContact CD2-CD1 4.27Å; L1107-I1122 HydrophobicContact CG-CD1 4.14Å; L1107-L1163 HydrophobicContact CD1-CD1 3.69Å; L1107-H1166 WeakPolarHBondContact CB-NE2 3.46Å; L1107-H1166 PolarHBondContact O-CE1 3.41Å |
| 1108 | N | 92.7 | Very high | 92 | Very high | 105 Ų | 105 | 42.9 Ų | 42.9 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 11.9 | 172.3 | -67.2 | -59.4 | 0 | 0 | 0 | 113.9 | I1104 K1105 R1106 H1166 | I1104-N1108 PolarHBondContact O-N 2.92Å; I1104-N1108 PolarHBondContact O-ND2 3.5Å; K1105-N1108 CarbonylContact O-C 3.51Å; K1105-N1108 PolarHBondContact O-N 3.33Å; R1106-N1108 PolarHBondContact O-N 3.26Å; N1108-H1166 PolarHBondContact OD1-CE1 2.83Å; N1108-H1166 VanDerWaalsContact OD1-CE1 3.22Å |
| 1109 | D | 94.7 | Very high | 92.6 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 6% | 0.059 | 19% | 0.188 | C | C | . | . | trans | -64.4 | 148.8 | 177.4 | -160.1 | -58 | 0 | 0 | 0 | 111.1 | R1001 K1105 R1106 L1107 K1111 I1114 R1115 | R1001-D1109 IonicContact CZ-OD1 2.68Å; R1001-D1109 IonicContact CZ-OD2 2.71Å; R1001-D1109 IonicContact NE-OD1 3.93Å; R1001-D1109 IonicContact NE-OD2 2.75Å; R1001-D1109 PolarHBondContact NE-OD2 3.26Å; R1001-D1109 IonicContact NH2-OD1 3.93Å; R1001-D1109 PolarHBondContact NH2-OD1 3.19Å; R1001-D1109 VanDerWaalsContact NH2-OD1 3.13Å; R1001-D1109 IonicContact NH2-OD2 3.54Å; R1001-D1109 PolarHBondContact NH2-OD2 3.24Å; K1105-D1109 PolarHBondContact O-N 3.29Å; R1106-D1109 IonicContact CZ-OD2 3.16Å; R1106-D1109 IonicContact NH1-OD2 2.75Å; R1106-D1109 PolarHBondContact NH1-OD2 2.79Å; R1106-D1109 WeakPolarHBondContact O-CB 3.28Å; R1106-D1109 PolarHBondContact O-N 3.19Å; R1106-D1109 VanDerWaalsContact O-N 3.08Å; L1107-D1109 VanDerWaalsContact C-N 3.35Å; D1109-K1111 PolarHBondContact O-N 3.08Å; D1109-K1111 PolarHBondContact OD1-N 3.47Å; D1109-I1114 HydrophobicContact CB-CB 4.35Å; D1109-I1114 HydrophobicContact CB-CG2 4.1Å; D1109-R1115 HydrophobicContact CB-CG 4.11Å; D1109-R1115 WeakPolarHBondContact O-CD 3.47Å | ||
| 1110 | S | 91.7 | Very high | 92.8 | Very high | 100 Ų | 100 | 36 Ų | 36 | 70% | 0.699 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -65.2 | -18.4 | 173.3 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1111 | K | 93.8 | Very high | 93.1 | Very high | 90 Ų | 90 | 33.7 Ų | 33.7 | 39% | 0.391 | 18% | 0.179 | S | C | . | . | trans | -109.1 | 114.1 | -172.5 | -59.6 | -64.4 | 179.4 | 128.1 | 0 | 111.7 | E998 D1109 Q1113 I1114 R1115 | E998-K1111 HydrophobicContact CG-CG 4.05Å; E998-K1111 WeakPolarHBondContact OE2-CE 3.48Å; E998-K1111 IonicContact OE2-NZ 3.6Å; E998-K1111 PolarHBondContact OE2-NZ 2.89Å; D1109-K1111 PolarHBondContact O-N 3.08Å; D1109-K1111 PolarHBondContact OD1-N 3.47Å; K1111-Q1113 VanDerWaalsContact C-N 3.28Å; K1111-Q1113 PolarHBondContact O-N 3.18Å; K1111-I1114 HydrophobicContact CB-CD1 4.08Å; K1111-I1114 HydrophobicContact CB-CG1 4.26Å; K1111-I1114 WeakPolarHBondContact O-CB 3.46Å; K1111-I1114 PolarHBondContact O-N 2.87Å; K1111-R1115 WeakPolarHBondContact O-CG 3.38Å; K1111-R1115 PolarHBondContact O-N 3.17Å | ||
| 1112 | D | 94 | Very high | 93.4 | Very high | 62 Ų | 62 | 32.3 Ų | 32.3 | 33% | 0.332 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -56.4 | -36.5 | -177.1 | -69.6 | -14.1 | 0 | 0 | 0 | 114 | I1114 R1115 L1116 N1171 I1174 | D1112-I1114 VanDerWaalsContact C-N 3.27Å; D1112-I1114 PolarHBondContact O-N 2.9Å; D1112-R1115 WeakPolarHBondContact O-CB 3.37Å; D1112-R1115 PolarHBondContact O-N 3.48Å; D1112-R1115 VanDerWaalsContact O-N 3.11Å; D1112-R1115 IonicContact OD1-NH1 3.59Å; D1112-R1115 PolarHBondContact OD1-NH1 2.97Å; D1112-L1116 VanDerWaalsContact O-CG 3.31Å; D1112-L1116 WeakPolarHBondContact O-CG 3.13Å; D1112-L1116 PolarHBondContact O-N 3.31Å; D1112-N1171 PolarHBondContact OD2-ND2 3.04Å; D1112-I1174 HydrophobicContact CB-CD1 4.08Å; D1112-I1174 VanDerWaalsContact OD1-CD1 3.3Å; D1112-I1174 WeakPolarHBondContact OD1-CD1 3.45Å |
| 1113 | Q | 91 | Very high | 93.4 | Very high | 50 Ų | 50 | 30.9 Ų | 30.9 | 23% | 0.234 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -38 | 176.8 | -165.4 | 71.2 | 32.5 | 0 | 0 | 112.5 | E948 K1111 L1117 | E948-Q1113 PolarHBondContact OE1-NE2 3.14Å; E948-Q1113 VanDerWaalsContact OE1-NE2 3.12Å; K1111-Q1113 VanDerWaalsContact C-N 3.28Å; K1111-Q1113 PolarHBondContact O-N 3.18Å; Q1113-L1117 HydrophobicContact CG-CD1 4.25Å; Q1113-L1117 WeakPolarHBondContact O-CB 3.13Å; Q1113-L1117 VanDerWaalsContact O-CG 3.29Å; Q1113-L1117 WeakPolarHBondContact O-CG 3.42Å; Q1113-L1117 PolarHBondContact O-N 2.93Å |
| 1114 | I | 94.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.6 | -41.8 | 177.3 | -64.7 | 175.7 | 0 | 0 | 0 | 109.6 | E998 R1001 R1002 R1106 D1109 K1111 D1112 L1116 L1117 I1118 | E998-I1114 HydrophobicContact CG-CD1 3.99Å; R1001-I1114 HydrophobicContact CB-CD1 3.72Å; R1002-I1114 HydrophobicContact CB-CG1 4.38Å; R1106-I1114 HydrophobicContact CB-CG2 4.39Å; R1106-I1114 HydrophobicContact CG-CG2 4.5Å; D1109-I1114 HydrophobicContact CB-CB 4.35Å; D1109-I1114 HydrophobicContact CB-CG2 4.1Å; K1111-I1114 HydrophobicContact CB-CD1 4.08Å; K1111-I1114 HydrophobicContact CB-CG1 4.26Å; K1111-I1114 WeakPolarHBondContact O-CB 3.46Å; K1111-I1114 PolarHBondContact O-N 2.87Å; D1112-I1114 VanDerWaalsContact C-N 3.27Å; D1112-I1114 PolarHBondContact O-N 2.9Å; I1114-L1116 VanDerWaalsContact C-N 3.3Å; I1114-L1116 PolarHBondContact O-N 3.24Å; I1114-L1117 PolarHBondContact O-N 3.32Å; I1114-I1118 PolarHBondContact O-N 3.49Å |
| 1115 | R | 95.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -36.7 | 177.9 | -54.9 | 171.3 | 79 | -160.2 | -7.5 | 112 | L1107 D1109 K1111 D1112 I1118 C1119 H1166 D1169 I1174 | L1107-R1115 PolarHBondContact O-NE 3.39Å; L1107-R1115 PolarHBondContact O-NH2 3.27Å; D1109-R1115 HydrophobicContact CB-CG 4.11Å; D1109-R1115 WeakPolarHBondContact O-CD 3.47Å; K1111-R1115 WeakPolarHBondContact O-CG 3.38Å; K1111-R1115 PolarHBondContact O-N 3.17Å; D1112-R1115 WeakPolarHBondContact O-CB 3.37Å; D1112-R1115 PolarHBondContact O-N 3.48Å; D1112-R1115 VanDerWaalsContact O-N 3.11Å; D1112-R1115 IonicContact OD1-NH1 3.59Å; D1112-R1115 PolarHBondContact OD1-NH1 2.97Å; R1115-I1118 VanDerWaalsContact O-CG2 3.29Å; R1115-I1118 WeakPolarHBondContact O-CG2 3.41Å; R1115-C1119 PolarHBondContact O-N 3.05Å; R1115-C1119 PolarHBondContact O-SG 2.91Å; R1115-H1166 PolarHBondContact NH2-ND1 3.43Å; R1115-D1169 IonicContact CZ-OD2 2.71Å; R1115-D1169 IonicContact NH1-OD1 3.73Å; R1115-D1169 IonicContact NH1-OD2 3.78Å; R1115-D1169 PolarHBondContact NH1-OD2 3.15Å; R1115-D1169 IonicContact NH2-OD2 2.81Å; R1115-D1169 PolarHBondContact NH2-OD2 2.6Å; R1115-I1174 HydrophobicContact CB-CD1 4.01Å |
| 1116 | L | 93.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 7% | 0.073 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.8 | -47 | 174 | -66.1 | 172 | 0 | 0 | 0 | 111.4 | D1112 I1114 I1118 C1119 E1120 R1173 I1174 S1177 | D1112-L1116 VanDerWaalsContact O-CG 3.31Å; D1112-L1116 WeakPolarHBondContact O-CG 3.13Å; D1112-L1116 PolarHBondContact O-N 3.31Å; I1114-L1116 VanDerWaalsContact C-N 3.3Å; I1114-L1116 PolarHBondContact O-N 3.24Å; L1116-I1118 VanDerWaalsContact C-N 3.34Å; L1116-I1118 PolarHBondContact O-N 3.46Å; L1116-C1119 WeakPolarHBondContact O-CB 3.22Å; L1116-C1119 PolarHBondContact O-N 2.69Å; L1116-C1119 VanDerWaalsContact O-N 3.15Å; L1116-E1120 PolarHBondContact O-N 3.41Å; L1116-R1173 HydrophobicContact CD1-CB 4.31Å; L1116-R1173 HydrophobicContact CD2-CB 3.88Å; L1116-I1174 HydrophobicContact CD2-CG1 3.99Å; L1116-I1174 HydrophobicContact CG-CG1 4.44Å; L1116-S1177 VanDerWaalsContact CD2-OG 3.3Å; L1116-S1177 WeakPolarHBondContact CD2-OG 3.12Å |
| 1117 | L | 91.5 | Very high | 92.8 | Very high | 21 Ų | 21 | 25 Ų | 25 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 178.5 | -76.6 | 168.2 | 0 | 0 | 0 | 112.5 | R1002 C1005 Q1113 I1114 C1119 E1120 T1121 | R1002-L1117 HydrophobicContact CG-CD1 3.61Å; C1005-L1117 HydrophobicContact CB-CB 3.89Å; Q1113-L1117 HydrophobicContact CG-CD1 4.25Å; Q1113-L1117 WeakPolarHBondContact O-CB 3.13Å; Q1113-L1117 VanDerWaalsContact O-CG 3.29Å; Q1113-L1117 WeakPolarHBondContact O-CG 3.42Å; Q1113-L1117 PolarHBondContact O-N 2.93Å; I1114-L1117 PolarHBondContact O-N 3.32Å; L1117-C1119 VanDerWaalsContact C-N 3.27Å; L1117-C1119 PolarHBondContact O-N 3.07Å; L1117-E1120 WeakPolarHBondContact O-CB 3.27Å; L1117-E1120 PolarHBondContact O-N 3.21Å; L1117-E1120 VanDerWaalsContact O-N 3.13Å; L1117-T1121 PolarHBondContact O-N 3.45Å; L1117-T1121 PolarHBondContact O-OG1 3.48Å |
| 1118 | I | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.5 | -29.6 | 177.6 | -159.7 | 75 | 0 | 0 | 0 | 111.6 | L993 F1103 R1106 L1107 I1114 R1115 L1116 E1120 T1121 I1122 | L993-I1118 HydrophobicContact CD1-CD1 4.47Å; L993-I1118 HydrophobicContact CD2-CD1 4.37Å; F1103-I1118 HydrophobicContact CB-CG1 4.11Å; F1103-I1118 HydrophobicContact CD1-CD1 3.66Å; F1103-I1118 HydrophobicContact CD1-CG1 4.16Å; F1103-I1118 HydrophobicContact CE1-CD1 4.35Å; F1103-I1118 HydrophobicContact CG-CD1 4.43Å; F1103-I1118 HydrophobicContact CG-CG1 4.47Å; R1106-I1118 HydrophobicContact CB-CB 4.02Å; R1106-I1118 HydrophobicContact CB-CD1 4.05Å; R1106-I1118 HydrophobicContact CB-CG1 3.8Å; R1106-I1118 HydrophobicContact CB-CG2 4.09Å; R1106-I1118 HydrophobicContact CG-CD1 4.29Å; L1107-I1118 HydrophobicContact CD2-CG2 3.75Å; L1107-I1118 HydrophobicContact CG-CG2 3.97Å; I1114-I1118 PolarHBondContact O-N 3.49Å; R1115-I1118 VanDerWaalsContact O-CG2 3.29Å; R1115-I1118 WeakPolarHBondContact O-CG2 3.41Å; L1116-I1118 VanDerWaalsContact C-N 3.34Å; L1116-I1118 PolarHBondContact O-N 3.46Å; I1118-E1120 VanDerWaalsContact C-N 3.3Å; I1118-E1120 PolarHBondContact O-N 3.39Å; I1118-T1121 HydrophobicContact CD1-CG2 4.2Å; I1118-T1121 CarbonylContact O-C 3.56Å; I1118-T1121 WeakPolarHBondContact O-CB 3.44Å; I1118-T1121 PolarHBondContact O-N 3.2Å; I1118-I1122 HydrophobicContact CG1-CD1 4.47Å; I1118-I1122 WeakPolarHBondContact O-CG1 3.28Å; I1118-I1122 PolarHBondContact O-N 2.98Å |
| 1119 | C | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 171.3 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | R1115 L1116 L1117 I1122 N1123 V1181 | R1115-C1119 PolarHBondContact O-N 3.05Å; R1115-C1119 PolarHBondContact O-SG 2.91Å; L1116-C1119 WeakPolarHBondContact O-CB 3.22Å; L1116-C1119 PolarHBondContact O-N 2.69Å; L1116-C1119 VanDerWaalsContact O-N 3.15Å; L1117-C1119 VanDerWaalsContact C-N 3.27Å; L1117-C1119 PolarHBondContact O-N 3.07Å; C1119-I1122 PolarHBondContact O-N 3.4Å; C1119-N1123 PolarHBondContact O-N 2.77Å; C1119-N1123 PolarHBondContact O-ND2 3.37Å; C1119-V1181 HydrophobicContact CB-CG2 4.06Å |
| 1120 | E | 92 | Very high | 91.5 | Very high | 14 Ų | 14 | 20.9 Ų | 20.9 | 7% | 0.065 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.1 | -37.8 | 173 | -62.3 | -52.2 | 124.7 | 0 | 0 | 112.2 | V919 T1009 L1116 L1117 I1118 I1122 N1123 A1124 R1180 | V919-E1120 VanDerWaalsContact CG1-OE2 3.26Å; V919-E1120 WeakPolarHBondContact CG1-OE2 3.36Å; T1009-E1120 HydrophobicContact CG2-CB 4.24Å; L1116-E1120 PolarHBondContact O-N 3.41Å; L1117-E1120 WeakPolarHBondContact O-CB 3.27Å; L1117-E1120 PolarHBondContact O-N 3.21Å; L1117-E1120 VanDerWaalsContact O-N 3.13Å; I1118-E1120 VanDerWaalsContact C-N 3.3Å; I1118-E1120 PolarHBondContact O-N 3.39Å; E1120-I1122 VanDerWaalsContact C-N 3.35Å; E1120-N1123 PolarHBondContact O-N 3.1Å; E1120-A1124 PolarHBondContact O-N 3.05Å; E1120-R1180 IonicContact OE1-CZ 3.44Å; E1120-R1180 IonicContact OE1-NH1 2.68Å; E1120-R1180 PolarHBondContact OE1-NH1 3.28Å; E1120-R1180 IonicContact OE2-CZ 3.3Å; E1120-R1180 IonicContact OE2-NH1 3.74Å; E1120-R1180 PolarHBondContact OE2-NH1 3.1Å |
| 1121 | T | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 172.2 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | C1005 L1008 T1009 F1012 F1103 L1117 I1118 A1124 W1125 | C1005-T1121 PolarHBondContact O-OG1 3.07Å; C1005-T1121 VanDerWaalsContact O-OG1 3.12Å; L1008-T1121 HydrophobicContact CB-CG2 3.44Å; L1008-T1121 VanDerWaalsContact CB-CG2 3.44Å; L1008-T1121 HydrophobicContact CD1-CG2 4.29Å; L1008-T1121 HydrophobicContact CG-CG2 4.47Å; T1009-T1121 WeakPolarHBondContact OG1-CA 3.33Å; T1009-T1121 PolarHBondContact OG1-N 3.42Å; T1009-T1121 PolarHBondContact OG1-OG1 3.19Å; F1012-T1121 HydrophobicContact CD2-CG2 3.91Å; F1012-T1121 HydrophobicContact CE2-CG2 3.73Å; F1103-T1121 HydrophobicContact CD1-CG2 4.5Å; F1103-T1121 HydrophobicContact CE1-CG2 3.88Å; F1103-T1121 HydrophobicContact CZ-CG2 4.32Å; L1117-T1121 PolarHBondContact O-N 3.45Å; L1117-T1121 PolarHBondContact O-OG1 3.48Å; I1118-T1121 HydrophobicContact CD1-CG2 4.2Å; I1118-T1121 CarbonylContact O-C 3.56Å; I1118-T1121 WeakPolarHBondContact O-CB 3.44Å; I1118-T1121 PolarHBondContact O-N 3.2Å; T1121-A1124 WeakPolarHBondContact O-CB 3.47Å; T1121-A1124 PolarHBondContact O-N 3.2Å; T1121-W1125 WeakPolarHBondContact O-CB 3.32Å; T1121-W1125 PolarHBondContact O-N 3.46Å |
| 1122 | I | 95.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 178.1 | -68 | 161.7 | 0 | 0 | 0 | 110.3 | F1103 L1107 I1118 C1119 E1120 A1124 W1125 I1126 F1159 V1181 | F1103-I1122 HydrophobicContact CB-CD1 4.02Å; F1103-I1122 HydrophobicContact CB-CG1 3.86Å; F1103-I1122 HydrophobicContact CD2-CG1 3.91Å; F1103-I1122 HydrophobicContact CG-CG1 3.96Å; L1107-I1122 HydrophobicContact CD1-CD1 3.86Å; L1107-I1122 HydrophobicContact CD2-CD1 4.27Å; L1107-I1122 HydrophobicContact CG-CD1 4.14Å; I1118-I1122 HydrophobicContact CG1-CD1 4.47Å; I1118-I1122 WeakPolarHBondContact O-CG1 3.28Å; I1118-I1122 PolarHBondContact O-N 2.98Å; C1119-I1122 PolarHBondContact O-N 3.4Å; E1120-I1122 VanDerWaalsContact C-N 3.35Å; I1122-A1124 VanDerWaalsContact C-N 3.31Å; I1122-A1124 PolarHBondContact O-N 3.24Å; I1122-W1125 HydrophobicContact CG2-CE3 4.41Å; I1122-W1125 PolarHBondContact O-N 3.27Å; I1122-I1126 HydrophobicContact CG2-CD1 3.7Å; I1122-I1126 HydrophobicContact CG2-CG1 4.17Å; I1122-I1126 VanDerWaalsContact O-CG1 3.28Å; I1122-I1126 WeakPolarHBondContact O-CG1 3.25Å; I1122-I1126 PolarHBondContact O-N 3.05Å; I1122-F1159 HydrophobicContact CD1-CZ 4.29Å; I1122-F1159 HydrophobicContact CG1-CZ 4.42Å; I1122-F1159 HydrophobicContact CG2-CE1 4.23Å; I1122-F1159 HydrophobicContact CG2-CZ 3.75Å; I1122-V1181 HydrophobicContact CB-CG1 4.45Å; I1122-V1181 HydrophobicContact CB-CG2 4.41Å; I1122-V1181 HydrophobicContact CG2-CG1 3.49Å; I1122-V1181 VanDerWaalsContact CG2-CG1 3.49Å; I1122-V1181 HydrophobicContact CG2-CG2 4.26Å |
| 1123 | N | 92.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 13.2 Ų | 13.2 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.6 | -45 | 175 | -75.7 | -40.1 | 0 | 0 | 0 | 111.6 | C1119 E1120 R1127 V1181 R1184 | C1119-N1123 PolarHBondContact O-N 2.77Å; C1119-N1123 PolarHBondContact O-ND2 3.37Å; E1120-N1123 PolarHBondContact O-N 3.1Å; N1123-R1127 PolarHBondContact O-N 2.95Å; N1123-R1127 VanDerWaalsContact O-N 3.1Å; N1123-V1181 WeakPolarHBondContact OD1-CA 3.24Å; N1123-V1181 WeakPolarHBondContact OD1-CG2 3.5Å; N1123-R1184 WeakPolarHBondContact OD1-CG 3.44Å |
| 1124 | A | 90.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1012 N1013 E1120 T1121 I1122 R1127 L1128 | F1012-A1124 HydrophobicContact CB-CB 3.83Å; N1013-A1124 VanDerWaalsContact ND2-CB 3.25Å; N1013-A1124 WeakPolarHBondContact ND2-CB 3.28Å; E1120-A1124 PolarHBondContact O-N 3.05Å; T1121-A1124 WeakPolarHBondContact O-CB 3.47Å; T1121-A1124 PolarHBondContact O-N 3.2Å; I1122-A1124 VanDerWaalsContact C-N 3.31Å; I1122-A1124 PolarHBondContact O-N 3.24Å; A1124-R1127 PolarHBondContact O-N 2.86Å; A1124-L1128 PolarHBondContact O-N 2.79Å |
| 1125 | W | 91.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.015 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 177.4 | 172.1 | 81.4 | 0 | 0 | 0 | 112.7 | F1012 V1096 F1103 T1121 I1122 R1127 L1128 L1129 F1159 | F1012-W1125 HydrophobicContact CD2-CB 3.92Å; F1012-W1125 HydrophobicContact CE2-CB 4.01Å; F1012-W1125 HydrophobicContact CG-CB 4.48Å; V1096-W1125 PolarHBondContact O-NE1 3.16Å; F1103-W1125 HydrophobicContact CD2-CD2 4.38Å; F1103-W1125 HydrophobicContact CE2-CB 3.99Å; F1103-W1125 AromaticContact CE2-CD1 3.73Å; F1103-W1125 AromaticContact CE2-CD2 3.63Å; F1103-W1125 HydrophobicContact CE2-CD2 3.63Å; F1103-W1125 AromaticContact CE2-CE2 3.9Å; F1103-W1125 HydrophobicContact CE2-CE3 4.17Å; F1103-W1125 AromaticContact CE2-CG 3.52Å; F1103-W1125 HydrophobicContact CE2-CG 3.52Å; F1103-W1125 AromaticContact CE2-NE1 3.91Å; F1103-W1125 HydrophobicContact CZ-CB 4.23Å; F1103-W1125 AromaticContact CZ-CD1 3.99Å; F1103-W1125 HydrophobicContact CZ-CG 4.02Å; T1121-W1125 WeakPolarHBondContact O-CB 3.32Å; T1121-W1125 PolarHBondContact O-N 3.46Å; I1122-W1125 HydrophobicContact CG2-CE3 4.41Å; I1122-W1125 PolarHBondContact O-N 3.27Å; W1125-R1127 VanDerWaalsContact C-N 3.31Å; W1125-R1127 PolarHBondContact O-N 2.89Å; W1125-L1128 WeakPolarHBondContact O-CB 3.35Å; W1125-L1128 PolarHBondContact O-N 3.27Å; W1125-L1129 HydrophobicContact CD2-CD1 4Å; W1125-L1129 HydrophobicContact CH2-CD1 4.05Å; W1125-L1129 HydrophobicContact CZ2-CD1 3.24Å; W1125-L1129 VanDerWaalsContact NE1-CD1 3.33Å; W1125-L1129 PolarHBondContact O-N 3.1Å; W1125-F1159 HydrophobicContact CZ3-CE1 4.37Å; W1125-F1159 HydrophobicContact CZ3-CZ 4.29Å |
| 1126 | I | 89.7 | Confident | 84.7 | Confident | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 173.9 | -70.2 | 164.2 | 0 | 0 | 0 | 109.1 | I1122 L1128 L1129 I1130 V1181 R1184 I1185 F1188 | I1122-I1126 HydrophobicContact CG2-CD1 3.7Å; I1122-I1126 HydrophobicContact CG2-CG1 4.17Å; I1122-I1126 VanDerWaalsContact O-CG1 3.28Å; I1122-I1126 WeakPolarHBondContact O-CG1 3.25Å; I1122-I1126 PolarHBondContact O-N 3.05Å; I1126-L1128 PolarHBondContact O-N 3.45Å; I1126-L1129 PolarHBondContact O-N 3.49Å; I1126-I1130 HydrophobicContact CG2-CD1 3.85Å; I1126-I1130 HydrophobicContact CG2-CG1 3.95Å; I1126-I1130 VanDerWaalsContact O-CG1 3.27Å; I1126-I1130 WeakPolarHBondContact O-CG1 3.34Å; I1126-I1130 PolarHBondContact O-N 3.39Å; I1126-V1181 HydrophobicContact CD1-CG1 3.85Å; I1126-R1184 HydrophobicContact CD1-CB 4.26Å; I1126-R1184 HydrophobicContact CG2-CB 4.39Å; I1126-I1185 HydrophobicContact CD1-CD1 4.02Å; I1126-I1185 HydrophobicContact CD1-CG1 3.57Å; I1126-I1185 HydrophobicContact CG1-CG1 4.38Å; I1126-F1188 HydrophobicContact CG2-CE1 3.73Å; I1126-F1188 HydrophobicContact CG2-CZ 4.22Å |
| 1127 | R | 87.1 | Confident | 82.3 | Confident | 23 Ų | 23 | 20.9 Ų | 20.9 | 9% | 0.087 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.8 | -38.5 | 179.2 | -164.5 | -178.7 | -62.7 | 164.3 | 9.2 | 112.5 | L922 E927 L1016 N1123 A1124 W1125 | L922-R1127 PolarHBondContact O-NH1 2.75Å; E927-R1127 VanDerWaalsContact CD-NE 3.27Å; E927-R1127 IonicContact OE1-CZ 3.29Å; E927-R1127 VanDerWaalsContact OE1-CZ 3.23Å; E927-R1127 IonicContact OE1-NE 3.49Å; E927-R1127 PolarHBondContact OE1-NE 3.08Å; E927-R1127 IonicContact OE1-NH2 2.81Å; E927-R1127 PolarHBondContact OE1-NH2 2.7Å; E927-R1127 IonicContact OE2-CZ 3.64Å; E927-R1127 IonicContact OE2-NE 3.61Å; E927-R1127 PolarHBondContact OE2-NE 3.29Å; E927-R1127 IonicContact OE2-NH1 3.9Å; E927-R1127 IonicContact OE2-NH2 3.78Å; E927-R1127 PolarHBondContact OE2-NH2 2.93Å; L1016-R1127 HydrophobicContact CD1-CB 3.89Å; L1016-R1127 HydrophobicContact CD1-CG 3.57Å; N1123-R1127 PolarHBondContact O-N 2.95Å; N1123-R1127 VanDerWaalsContact O-N 3.1Å; A1124-R1127 PolarHBondContact O-N 2.86Å; W1125-R1127 VanDerWaalsContact C-N 3.31Å; W1125-R1127 PolarHBondContact O-N 2.89Å |
| 1128 | L | 85.9 | Confident | 79.9 | Confident | 9 Ų | 9 | 26.6 Ų | 26.6 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67 | -38.5 | 175.5 | -176.6 | 64.7 | 0 | 0 | 0 | 112.9 | F1012 L1015 L1016 L1049 V1096 A1124 W1125 I1126 | F1012-L1128 HydrophobicContact CB-CD2 4.41Å; F1012-L1128 HydrophobicContact CD1-CD2 3.64Å; F1012-L1128 HydrophobicContact CE1-CD2 4.37Å; F1012-L1128 HydrophobicContact CG-CD2 4.38Å; L1015-L1128 HydrophobicContact CB-CD1 4.07Å; L1015-L1128 HydrophobicContact CD1-CD2 4.01Å; L1016-L1128 HydrophobicContact CD2-CD1 3.85Å; L1016-L1128 HydrophobicContact CG-CD1 4.14Å; L1049-L1128 HydrophobicContact CD1-CD1 4.08Å; V1096-L1128 HydrophobicContact CG1-CD2 4.04Å; A1124-L1128 PolarHBondContact O-N 2.79Å; W1125-L1128 WeakPolarHBondContact O-CB 3.35Å; W1125-L1128 PolarHBondContact O-N 3.27Å; I1126-L1128 PolarHBondContact O-N 3.45Å |
| 1129 | L | 84.4 | Confident | 77.1 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -92 | -17 | -173.7 | -70.9 | -168.7 | 0 | 0 | 0 | 115.5 | V1096 Y1097 W1125 I1126 P1131 M1132 L1133 | V1096-L1129 HydrophobicContact CG1-CD2 3.78Å; V1096-L1129 HydrophobicContact CG1-CG 4.23Å; Y1097-L1129 HydrophobicContact CD2-CD1 4.27Å; W1125-L1129 HydrophobicContact CD2-CD1 4Å; W1125-L1129 HydrophobicContact CH2-CD1 4.05Å; W1125-L1129 HydrophobicContact CZ2-CD1 3.24Å; W1125-L1129 VanDerWaalsContact NE1-CD1 3.33Å; W1125-L1129 PolarHBondContact O-N 3.1Å; I1126-L1129 PolarHBondContact O-N 3.49Å; L1129-P1131 VanDerWaalsContact C-CD 3.44Å; L1129-P1131 VanDerWaalsContact C-N 3.32Å; L1129-M1132 HydrophobicContact CD2-SD 3.55Å; L1129-M1132 VanDerWaalsContact CD2-SD 3.55Å; L1129-M1132 WeakPolarHBondContact O-CA 3.23Å; L1129-M1132 WeakPolarHBondContact O-CB 3.31Å; L1129-M1132 PolarHBondContact O-N 3.18Å; L1129-L1133 HydrophobicContact CB-CD1 3.85Å; L1129-L1133 HydrophobicContact CB-CG 4.13Å; L1129-L1133 WeakPolarHBondContact O-CG 3.47Å; L1129-L1133 PolarHBondContact O-N 2.98Å |
| 1130 | I | 83 | Confident | 74.5 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.087 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -46.9 | -48.2 | -179.3 | -82.1 | 164.8 | 0 | 0 | 0 | 112.9 | I1126 M1132 L1133 T1134 F1188 | I1126-I1130 HydrophobicContact CG2-CD1 3.85Å; I1126-I1130 HydrophobicContact CG2-CG1 3.95Å; I1126-I1130 VanDerWaalsContact O-CG1 3.27Å; I1126-I1130 WeakPolarHBondContact O-CG1 3.34Å; I1126-I1130 PolarHBondContact O-N 3.39Å; I1130-M1132 PolarHBondContact O-N 3.08Å; I1130-L1133 PolarHBondContact O-N 3.33Å; I1130-T1134 HydrophobicContact CG2-CG2 4.48Å; I1130-T1134 WeakPolarHBondContact O-CB 3.44Å; I1130-T1134 WeakPolarHBondContact O-CG2 3.44Å; I1130-T1134 PolarHBondContact O-N 3.2Å; I1130-T1134 PolarHBondContact O-OG1 3.11Å; I1130-F1188 HydrophobicContact CD1-CD1 4.26Å; I1130-F1188 HydrophobicContact CD1-CE1 4.25Å; I1130-F1188 HydrophobicContact CG1-CD1 3.8Å; I1130-F1188 HydrophobicContact CG1-CE1 3.73Å |
| 1131 | P | 74.3 | Confident | 71.8 | Confident | 65 Ų | 65 | 42.4 Ų | 42.4 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -27.3 | 179.5 | -24 | 34.9 | 0 | 0 | 0 | 113.8 | L1129 | L1129-P1131 VanDerWaalsContact C-CD 3.44Å; L1129-P1131 VanDerWaalsContact C-N 3.32Å |
| 1132 | M | 73 | Confident | 69.3 | Low | 23 Ų | 23 | 49.9 Ų | 49.9 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -86.9 | -36.6 | -179.5 | -55.9 | 172.7 | 69.8 | 0 | 0 | 112.3 | L1049 W1054 L1129 I1130 T1134 Y1152 | L1049-M1132 HydrophobicContact CD2-SD 4.13Å; W1054-M1132 HydrophobicContact CE3-CE 4.36Å; W1054-M1132 HydrophobicContact CH2-CE 3.09Å; W1054-M1132 HydrophobicContact CZ2-CE 3.38Å; W1054-M1132 HydrophobicContact CZ3-CE 3.52Å; L1129-M1132 HydrophobicContact CD2-SD 3.55Å; L1129-M1132 VanDerWaalsContact CD2-SD 3.55Å; L1129-M1132 WeakPolarHBondContact O-CA 3.23Å; L1129-M1132 WeakPolarHBondContact O-CB 3.31Å; L1129-M1132 PolarHBondContact O-N 3.18Å; I1130-M1132 PolarHBondContact O-N 3.08Å; M1132-T1134 VanDerWaalsContact C-N 3.3Å; M1132-Y1152 VanDerWaalsContact O-CE2 3.27Å; M1132-Y1152 WeakPolarHBondContact O-CE2 3.41Å |
| 1133 | L | 78.2 | Confident | 66.7 | Low | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -76.3 | -20 | -177.2 | -69 | 173.3 | 0 | 0 | 0 | 112.5 | Y1097 L1129 I1130 L1148 N1149 Y1152 I1156 F1188 | Y1097-L1133 HydrophobicContact CE2-CD2 4.1Å; L1129-L1133 HydrophobicContact CB-CD1 3.85Å; L1129-L1133 HydrophobicContact CB-CG 4.13Å; L1129-L1133 WeakPolarHBondContact O-CG 3.47Å; L1129-L1133 PolarHBondContact O-N 2.98Å; I1130-L1133 PolarHBondContact O-N 3.33Å; L1133-L1148 HydrophobicContact CB-CD1 4.14Å; L1133-L1148 WeakPolarHBondContact O-CD1 3.39Å; L1133-N1149 WeakPolarHBondContact O-CB 3.36Å; L1133-N1149 PolarHBondContact O-N 2.96Å; L1133-Y1152 HydrophobicContact CD2-CD1 4.38Å; L1133-Y1152 HydrophobicContact CD2-CD2 3.91Å; L1133-Y1152 HydrophobicContact CD2-CE2 4.48Å; L1133-Y1152 HydrophobicContact CD2-CG 3.84Å; L1133-I1156 HydrophobicContact CD1-CD1 4.03Å; L1133-I1156 HydrophobicContact CD2-CD1 4.29Å; L1133-F1188 HydrophobicContact CB-CE2 4.42Å; L1133-F1188 HydrophobicContact CD1-CE2 4.03Å; L1133-F1188 HydrophobicContact CD1-CZ 4.13Å |
| 1134 | T | 77.1 | Confident | 64.4 | Low | 16 Ų | 16 | 64.8 Ų | 64.8 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 144.3 | -172 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | I1130 M1132 Q1146 Q1147 F1188 | I1130-T1134 HydrophobicContact CG2-CG2 4.48Å; I1130-T1134 WeakPolarHBondContact O-CB 3.44Å; I1130-T1134 WeakPolarHBondContact O-CG2 3.44Å; I1130-T1134 PolarHBondContact O-N 3.2Å; I1130-T1134 PolarHBondContact O-OG1 3.11Å; M1132-T1134 VanDerWaalsContact C-N 3.3Å; T1134-Q1146 HydrophobicContact CG2-CB 3.95Å; T1134-Q1147 VanDerWaalsContact CA-O 3.24Å; T1134-Q1147 WeakPolarHBondContact CA-O 3.35Å; T1134-Q1147 WeakPolarHBondContact CB-O 3.43Å; T1134-F1188 HydrophobicContact CG2-CB 3.52Å; T1134-F1188 HydrophobicContact CG2-CD2 4.12Å; T1134-F1188 HydrophobicContact CG2-CG 3.96Å |
| 1135 | S | 62.4 | Low | 62.7 | Low | 47 Ų | 47 | 69.5 Ų | 69.5 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 119 | 174.5 | 49.3 | 0 | 0 | 0 | 0 | 110 | S1137 Q1147 | S1135-S1137 PolarHBondContact O-N 3.2Å; S1135-Q1147 PolarHBondContact N-O 2.99Å; S1135-Q1147 PolarHBondContact OG-O 3.45Å |
| 1136 | S | 54 | Low | 61.5 | Low | 107 Ų | 107 | 73.7 Ų | 73.7 | 75% | 0.748 | 43% | 0.431 | S | S | * | . | trans | -81 | 98.2 | 166.6 | 47.5 | 0 | 0 | 0 | 0 | 109.2 | T1138 | S1136-T1138 PolarHBondContact O-N 2.97Š| ||
| 1137 | S | 43.1 | Very low | 61 | Low | 79 Ų | 79 | 79.2 Ų | 79.2 | 55% | 0.552 | 46% | 0.457 | S | S | * | . | trans | -64 | 107.9 | 165.8 | 52.7 | 0 | 0 | 0 | 0 | 108.3 | S1135 T1139 | S1135-S1137 PolarHBondContact O-N 3.2Å; S1137-T1139 PolarHBondContact O-N 3.45Å | ||
| 1138 | T | 40.4 | Very low | 60.8 | Low | 140 Ų | 140 | 78.9 Ų | 78.9 | 86% | 0.859 | 46% | 0.457 | S | S | * | . | trans | -72.9 | 15.3 | 178.2 | 43.4 | 0 | 0 | 0 | 0 | 113.8 | S1136 | S1136-T1138 PolarHBondContact O-N 2.97Š| ||
| 1139 | T | 37.4 | Very low | 60.6 | Low | 104 Ų | 104 | 78.8 Ų | 78.8 | 64% | 0.638 | 46% | 0.456 | S | S | * | . | trans | -100.6 | 105.7 | -177.8 | 38.2 | 0 | 0 | 0 | 0 | 110.5 | S1137 | S1137-T1139 PolarHBondContact O-N 3.45Š| ||
| 1140 | T | 38.8 | Very low | 60.4 | Low | 117 Ų | 117 | 83.5 Ų | 83.5 | 72% | 0.718 | 49% | 0.487 | S | S | * | . | trans | 46.8 | 106.5 | 143.2 | 48 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1141 | T | 36.9 | Very low | 60.3 | Low | 125 Ų | 125 | 86.8 Ų | 86.8 | 77% | 0.767 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 46.7 | 115.5 | 143.8 | 57.8 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1142 | I | 41.7 | Very low | 60.7 | Low | 158 Ų | 158 | 84.2 Ų | 84.2 | 81% | 0.81 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 114.6 | 106.5 | 167.4 | -57.9 | 151.4 | 0 | 0 | 0 | 110.5 | ||
| 1143 | K | 40.3 | Very low | 61.3 | Low | 194 Ų | 194 | 85.3 Ų | 85.3 | 84% | 0.843 | 50% | 0.498 | S | S | * | . | trans | 39.1 | 84.6 | 163.1 | -65.1 | -179.6 | 176.3 | -177 | 0 | 114.3 | S1145 | K1143-S1145 VanDerWaalsContact C-N 3.27Å; K1143-S1145 PolarHBondContact O-N 3.02Å | ||
| 1144 | T | 43.2 | Very low | 61.7 | Low | 122 Ų | 122 | 88.6 Ų | 88.6 | 75% | 0.748 | 53% | 0.525 | S | S | * | . | trans | -62.5 | 86.9 | 167.8 | 51.2 | 0 | 0 | 0 | 0 | 109.7 | Q1146 | T1144-Q1146 PolarHBondContact O-N 3.4Š| ||
| 1145 | S | 54.9 | Low | 62.1 | Low | 101 Ų | 101 | 89.7 Ų | 89.7 | 71% | 0.706 | 53% | 0.532 | S | S | * | . | trans | -66.5 | 115 | 160.5 | 34.1 | 0 | 0 | 0 | 0 | 106.6 | K1143 Q1147 | K1143-S1145 VanDerWaalsContact C-N 3.27Å; K1143-S1145 PolarHBondContact O-N 3.02Å; S1145-Q1147 PolarHBondContact O-N 3.37Å | ||
| 1146 | Q | 66.2 | Low | 63.4 | Low | 91 Ų | 91 | 87.7 Ų | 87.7 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | trans | -68 | 99.4 | 175.2 | -72.8 | 180 | -24.4 | 0 | 0 | 107.9 | T1134 T1144 F1188 | T1134-Q1146 HydrophobicContact CG2-CB 3.95Å; T1144-Q1146 PolarHBondContact O-N 3.4Å; Q1146-F1188 WeakPolarHBondContact O-CA 3.44Å; Q1146-F1188 VanDerWaalsContact O-CB 3.28Å; Q1146-F1188 WeakPolarHBondContact O-CB 3.33Å | ||
| 1147 | Q | 79.7 | Confident | 65.2 | Low | 119 Ų | 119 | 84.9 Ų | 84.9 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 139.4 | 178.5 | -164.3 | 172.2 | 13.6 | 0 | 0 | 110.5 | T1134 S1135 S1145 N1149 | T1134-Q1147 VanDerWaalsContact CA-O 3.24Å; T1134-Q1147 WeakPolarHBondContact CA-O 3.35Å; T1134-Q1147 WeakPolarHBondContact CB-O 3.43Å; S1135-Q1147 PolarHBondContact N-O 2.99Å; S1135-Q1147 PolarHBondContact OG-O 3.45Å; S1145-Q1147 PolarHBondContact O-N 3.37Å; Q1147-N1149 PolarHBondContact O-N 3.32Å |
| 1148 | L | 82.9 | Confident | 67.5 | Low | 17 Ų | 17 | 84.5 Ų | 84.5 | 9% | 0.089 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 128.4 | 174.6 | -177.9 | 69.3 | 0 | 0 | 0 | 110.4 | L1133 I1156 F1188 A1189 L1192 | L1133-L1148 HydrophobicContact CB-CD1 4.14Å; L1133-L1148 WeakPolarHBondContact O-CD1 3.39Å; L1148-I1156 HydrophobicContact CD1-CG1 3.86Å; L1148-I1156 HydrophobicContact CD2-CB 4.08Å; L1148-I1156 HydrophobicContact CD2-CG1 4.17Å; L1148-I1156 HydrophobicContact CD2-CG2 4.25Å; L1148-F1188 HydrophobicContact CB-CD2 4.34Å; L1148-F1188 WeakPolarHBondContact CB-O 3.39Å; L1148-F1188 HydrophobicContact CD1-CD2 3.94Å; L1148-F1188 HydrophobicContact CD1-CE2 4Å; L1148-F1188 PolarHBondContact N-O 2.9Å; L1148-A1189 HydrophobicContact CB-CB 4.17Å; L1148-A1189 HydrophobicContact CD2-CB 3.93Å; L1148-L1192 HydrophobicContact CD2-CD1 3.57Å |
| 1149 | N | 80.4 | Confident | 70 | Confident | 7 Ų | 7 | 77.9 Ų | 77.9 | 4% | 0.037 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -65 | 128.1 | 173.4 | -178.1 | -33.6 | 0 | 0 | 0 | 109.5 | Y1085 L1133 Q1147 V1151 Y1152 | Y1085-N1149 WeakPolarHBondContact CD1-ND2 3.34Å; Y1085-N1149 WeakPolarHBondContact CD2-ND2 3.19Å; Y1085-N1149 WeakPolarHBondContact CE1-ND2 3.33Å; L1133-N1149 WeakPolarHBondContact O-CB 3.36Å; L1133-N1149 PolarHBondContact O-N 2.96Å; Q1147-N1149 PolarHBondContact O-N 3.32Å; N1149-V1151 PolarHBondContact O-N 3.04Å; N1149-V1151 WeakPolarHBondContact OD1-CG2 3.23Å; N1149-V1151 PolarHBondContact OD1-N 3.17Å; N1149-Y1152 HydrophobicContact CB-CD2 3.89Å; N1149-Y1152 HydrophobicContact CB-CE2 4.2Å; N1149-Y1152 PolarHBondContact O-N 3.05Å |
| 1150 | P | 81.3 | Confident | 72.7 | Confident | 102 Ų | 102 | 73 Ų | 73 | 66% | 0.662 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -50.4 | -30.9 | -177.6 | -30.2 | 35.3 | 0 | 0 | 0 | 114.8 | Y1152 T1153 | P1150-Y1152 VanDerWaalsContact C-N 3.26Å; P1150-Y1152 PolarHBondContact O-N 3.24Å; P1150-T1153 VanDerWaalsContact C-OG1 3.31Å; P1150-T1153 VanDerWaalsContact CA-OG1 3.24Å; P1150-T1153 WeakPolarHBondContact CA-OG1 3.45Å; P1150-T1153 VanDerWaalsContact O-CB 3.28Å; P1150-T1153 WeakPolarHBondContact O-CB 3.37Å; P1150-T1153 PolarHBondContact O-N 3.22Å; P1150-T1153 PolarHBondContact O-OG1 3.44Å |
| 1151 | V | 79.6 | Confident | 75.3 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -60.5 | -33.2 | -179.9 | 176.9 | 0 | 0 | 0 | 0 | 112.6 | Y1085 N1149 | Y1085-V1151 HydrophobicContact CD2-CG2 4.05Å; Y1085-V1151 HydrophobicContact CG-CG2 4.49Å; N1149-V1151 PolarHBondContact O-N 3.04Å; N1149-V1151 WeakPolarHBondContact OD1-CG2 3.23Å; N1149-V1151 PolarHBondContact OD1-N 3.17Å |
| 1152 | Y | 82.7 | Confident | 78 | Confident | 12 Ų | 12 | 66 Ų | 66 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -94.9 | -2.4 | -178.4 | -53.3 | -63 | 0 | 0 | 0 | 113.7 | Y1085 Y1097 M1132 L1133 N1149 P1150 A1154 V1155 I1156 | Y1085-Y1152 VanDerWaalsContact O-CE1 3.25Å; Y1085-Y1152 WeakPolarHBondContact O-CE1 3.4Å; Y1085-Y1152 PolarHBondContact O-OH 3.44Å; Y1097-Y1152 HydrophobicContact CE2-CD1 4.21Å; M1132-Y1152 VanDerWaalsContact O-CE2 3.27Å; M1132-Y1152 WeakPolarHBondContact O-CE2 3.41Å; L1133-Y1152 HydrophobicContact CD2-CD1 4.38Å; L1133-Y1152 HydrophobicContact CD2-CD2 3.91Å; L1133-Y1152 HydrophobicContact CD2-CE2 4.48Å; L1133-Y1152 HydrophobicContact CD2-CG 3.84Å; N1149-Y1152 HydrophobicContact CB-CD2 3.89Å; N1149-Y1152 HydrophobicContact CB-CE2 4.2Å; N1149-Y1152 PolarHBondContact O-N 3.05Å; P1150-Y1152 VanDerWaalsContact C-N 3.26Å; P1150-Y1152 PolarHBondContact O-N 3.24Å; Y1152-A1154 VanDerWaalsContact C-N 3.32Å; Y1152-A1154 PolarHBondContact O-N 3.2Å; Y1152-V1155 PolarHBondContact O-N 2.89Å; Y1152-V1155 VanDerWaalsContact O-N 3.1Å; Y1152-I1156 PolarHBondContact O-N 2.89Å |
| 1153 | T | 85.6 | Confident | 80.5 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 28% | 0.282 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -51.5 | -48.8 | -177.1 | -52.7 | 0 | 0 | 0 | 0 | 112.2 | P1150 V1155 I1156 E1157 L1192 | P1150-T1153 VanDerWaalsContact C-OG1 3.31Å; P1150-T1153 VanDerWaalsContact CA-OG1 3.24Å; P1150-T1153 WeakPolarHBondContact CA-OG1 3.45Å; P1150-T1153 VanDerWaalsContact O-CB 3.28Å; P1150-T1153 WeakPolarHBondContact O-CB 3.37Å; P1150-T1153 PolarHBondContact O-N 3.22Å; P1150-T1153 PolarHBondContact O-OG1 3.44Å; T1153-V1155 VanDerWaalsContact C-N 3.3Å; T1153-V1155 PolarHBondContact O-N 2.88Å; T1153-I1156 PolarHBondContact O-N 3.1Å; T1153-E1157 VanDerWaalsContact O-CB 3.22Å; T1153-E1157 WeakPolarHBondContact O-CB 3.36Å; T1153-E1157 PolarHBondContact O-N 3.31Å; T1153-L1192 HydrophobicContact CG2-CD1 3.87Å; T1153-L1192 HydrophobicContact CG2-CD2 3.86Å; T1153-L1192 HydrophobicContact CG2-CG 4.26Å |
| 1154 | A | 86.7 | Confident | 83 | Confident | 72 Ų | 72 | 49.7 Ų | 49.7 | 60% | 0.595 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.3 | -38 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1152 D1158 | Y1152-A1154 VanDerWaalsContact C-N 3.32Å; Y1152-A1154 PolarHBondContact O-N 3.2Å; A1154-D1158 WeakPolarHBondContact O-CB 3.31Å; A1154-D1158 PolarHBondContact O-N 3.22Å |
| 1155 | V | 86.5 | Confident | 85.3 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -78.1 | -38.9 | -177.8 | 180 | 0 | 0 | 0 | 0 | 111.5 | Y1097 Y1100 Y1152 T1153 E1157 D1158 F1159 | Y1097-V1155 HydrophobicContact CE1-CG1 4.31Å; Y1097-V1155 HydrophobicContact CE2-CG1 4.29Å; Y1097-V1155 WeakPolarHBondContact OH-CB 3.2Å; Y1097-V1155 WeakPolarHBondContact OH-CG1 3.38Å; Y1097-V1155 WeakPolarHBondContact OH-CG2 3.37Å; Y1100-V1155 HydrophobicContact CD1-CG1 4.27Å; Y1100-V1155 HydrophobicContact CE1-CG1 3.53Å; Y1152-V1155 PolarHBondContact O-N 2.89Å; Y1152-V1155 VanDerWaalsContact O-N 3.1Å; T1153-V1155 VanDerWaalsContact C-N 3.3Å; T1153-V1155 PolarHBondContact O-N 2.88Å; V1155-E1157 VanDerWaalsContact C-N 3.32Å; V1155-D1158 PolarHBondContact O-N 3.31Å; V1155-F1159 WeakPolarHBondContact O-CB 3.3Å; V1155-F1159 PolarHBondContact O-N 3.35Å |
| 1156 | I | 89.5 | Confident | 87.1 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.9 | -38 | 173.2 | -63.9 | -60 | 0 | 0 | 0 | 110.6 | L1133 L1148 Y1152 T1153 F1159 L1160 I1185 A1189 L1192 | L1133-I1156 HydrophobicContact CD1-CD1 4.03Å; L1133-I1156 HydrophobicContact CD2-CD1 4.29Å; L1148-I1156 HydrophobicContact CD1-CG1 3.86Å; L1148-I1156 HydrophobicContact CD2-CB 4.08Å; L1148-I1156 HydrophobicContact CD2-CG1 4.17Å; L1148-I1156 HydrophobicContact CD2-CG2 4.25Å; Y1152-I1156 PolarHBondContact O-N 2.89Å; T1153-I1156 PolarHBondContact O-N 3.1Å; I1156-F1159 PolarHBondContact O-N 3.07Å; I1156-L1160 HydrophobicContact CG2-CD1 3.89Å; I1156-L1160 HydrophobicContact CG2-CG 4.28Å; I1156-L1160 VanDerWaalsContact O-CB 3.31Å; I1156-L1160 WeakPolarHBondContact O-CB 3.42Å; I1156-L1160 VanDerWaalsContact O-CG 3.26Å; I1156-L1160 WeakPolarHBondContact O-CG 3.42Å; I1156-L1160 PolarHBondContact O-N 2.85Å; I1156-I1185 HydrophobicContact CG2-CG2 4.14Å; I1156-A1189 HydrophobicContact CG2-CB 4.18Å; I1156-L1192 HydrophobicContact CB-CD1 4.14Å; I1156-L1192 HydrophobicContact CG2-CD1 3.92Å |
| 1157 | E | 91.5 | Very high | 88.4 | Confident | 48 Ų | 48 | 40.3 Ų | 40.3 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 173.2 | -176.3 | 167.3 | -170.2 | 0 | 0 | 111.3 | T1153 V1155 L1160 N1161 L1192 K1195 | T1153-E1157 VanDerWaalsContact O-CB 3.22Å; T1153-E1157 WeakPolarHBondContact O-CB 3.36Å; T1153-E1157 PolarHBondContact O-N 3.31Å; V1155-E1157 VanDerWaalsContact C-N 3.32Å; E1157-L1160 PolarHBondContact O-N 3.35Å; E1157-N1161 WeakPolarHBondContact CG-ND2 3.45Å; E1157-N1161 WeakPolarHBondContact O-CB 3.5Å; E1157-N1161 VanDerWaalsContact O-CG 3.31Å; E1157-N1161 PolarHBondContact O-N 3.24Å; E1157-N1161 PolarHBondContact O-ND2 3.09Å; E1157-L1192 HydrophobicContact CB-CD1 4.32Å; E1157-L1192 HydrophobicContact CB-CD2 4.18Å; E1157-L1192 HydrophobicContact CG-CD2 4.45Å; E1157-K1195 WeakPolarHBondContact OE1-CE 3.49Å; E1157-K1195 IonicContact OE1-NZ 2.69Å; E1157-K1195 PolarHBondContact OE1-NZ 3.4Å; E1157-K1195 IonicContact OE2-NZ 3.45Å; E1157-K1195 PolarHBondContact OE2-NZ 2.82Å |
| 1158 | D | 92.1 | Very high | 89 | Confident | 70 Ų | 70 | 37 Ų | 37 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 174 | -174.9 | 61.3 | 0 | 0 | 0 | 112.2 | A1154 V1155 L1160 N1161 N1162 | A1154-D1158 WeakPolarHBondContact O-CB 3.31Å; A1154-D1158 PolarHBondContact O-N 3.22Å; V1155-D1158 PolarHBondContact O-N 3.31Å; D1158-L1160 PolarHBondContact O-N 3.44Å; D1158-N1161 PolarHBondContact O-N 3.04Å; D1158-N1162 PolarHBondContact O-N 2.89Å; D1158-N1162 VanDerWaalsContact O-N 3.1Å; D1158-N1162 PolarHBondContact O-ND2 3.18Å |
| 1159 | F | 93 | Very high | 89.5 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 175.8 | -178.5 | -103.7 | 0 | 0 | 0 | 112.1 | Y1100 I1104 I1122 W1125 V1155 I1156 N1162 L1163 I1185 | Y1100-F1159 AromaticContact CD2-CD2 3.74Å; Y1100-F1159 HydrophobicContact CD2-CD2 3.74Å; Y1100-F1159 HydrophobicContact CG-CD2 4.14Å; I1104-F1159 HydrophobicContact CD1-CD2 3.76Å; I1104-F1159 HydrophobicContact CD1-CE2 3.62Å; I1104-F1159 HydrophobicContact CG1-CD2 4.32Å; I1104-F1159 HydrophobicContact CG1-CE2 4.38Å; I1122-F1159 HydrophobicContact CD1-CZ 4.29Å; I1122-F1159 HydrophobicContact CG1-CZ 4.42Å; I1122-F1159 HydrophobicContact CG2-CE1 4.23Å; I1122-F1159 HydrophobicContact CG2-CZ 3.75Å; W1125-F1159 HydrophobicContact CZ3-CE1 4.37Å; W1125-F1159 HydrophobicContact CZ3-CZ 4.29Å; V1155-F1159 WeakPolarHBondContact O-CB 3.3Å; V1155-F1159 PolarHBondContact O-N 3.35Å; I1156-F1159 PolarHBondContact O-N 3.07Å; F1159-N1162 PolarHBondContact O-N 3.13Å; F1159-L1163 HydrophobicContact CE1-CD2 4.2Å; F1159-L1163 WeakPolarHBondContact O-CB 3.41Å; F1159-L1163 PolarHBondContact O-N 3.45Å; F1159-I1185 HydrophobicContact CD1-CD1 3.96Å; F1159-I1185 HydrophobicContact CE1-CD1 3.75Å |
| 1160 | L | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 177.5 | -76.9 | 170.8 | 0 | 0 | 0 | 112.3 | I1156 E1157 D1158 N1162 L1163 I1164 I1185 L1192 V1193 V1196 | I1156-L1160 HydrophobicContact CG2-CD1 3.89Å; I1156-L1160 HydrophobicContact CG2-CG 4.28Å; I1156-L1160 VanDerWaalsContact O-CB 3.31Å; I1156-L1160 WeakPolarHBondContact O-CB 3.42Å; I1156-L1160 VanDerWaalsContact O-CG 3.26Å; I1156-L1160 WeakPolarHBondContact O-CG 3.42Å; I1156-L1160 PolarHBondContact O-N 2.85Å; E1157-L1160 PolarHBondContact O-N 3.35Å; D1158-L1160 PolarHBondContact O-N 3.44Å; L1160-N1162 VanDerWaalsContact C-N 3.26Å; L1160-N1162 PolarHBondContact O-N 2.95Å; L1160-L1163 PolarHBondContact O-N 3.47Å; L1160-I1164 WeakPolarHBondContact O-CB 3.34Å; L1160-I1164 PolarHBondContact O-N 2.98Å; L1160-I1185 HydrophobicContact CD1-CG2 4.16Å; L1160-I1185 HydrophobicContact CD2-CB 4.31Å; L1160-I1185 HydrophobicContact CD2-CD1 3.65Å; L1160-I1185 HydrophobicContact CD2-CG2 3.99Å; L1160-I1185 HydrophobicContact CG-CD1 4.45Å; L1160-I1185 HydrophobicContact CG-CG2 4.33Å; L1160-L1192 HydrophobicContact CD1-CB 3.79Å; L1160-V1193 HydrophobicContact CD1-CG2 3.97Å; L1160-V1193 HydrophobicContact CD2-CG2 4.11Å; L1160-V1196 HydrophobicContact CB-CG1 4.37Å; L1160-V1196 HydrophobicContact CB-CG2 4.12Å |
| 1161 | N | 93.2 | Very high | 90.5 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -33.6 | 176.8 | -80.1 | -56.7 | 0 | 0 | 0 | 112.1 | E1157 D1158 | E1157-N1161 WeakPolarHBondContact CG-ND2 3.45Å; E1157-N1161 WeakPolarHBondContact O-CB 3.5Å; E1157-N1161 VanDerWaalsContact O-CG 3.31Å; E1157-N1161 PolarHBondContact O-N 3.24Å; E1157-N1161 PolarHBondContact O-ND2 3.09Å; D1158-N1161 PolarHBondContact O-N 3.04Å |
| 1162 | N | 93.4 | Very high | 91.1 | Very high | 53 Ų | 53 | 36.1 Ų | 36.1 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -79.1 | -37.5 | 174.8 | -74 | -78.8 | 0 | 0 | 0 | 112.3 | I1104 D1158 F1159 L1160 | I1104-N1162 HydrophobicContact CD1-CB 3.72Å; I1104-N1162 HydrophobicContact CG1-CB 4.08Å; I1104-N1162 HydrophobicContact CG2-CB 3.9Å; D1158-N1162 PolarHBondContact O-N 2.89Å; D1158-N1162 VanDerWaalsContact O-N 3.1Å; D1158-N1162 PolarHBondContact O-ND2 3.18Å; F1159-N1162 PolarHBondContact O-N 3.13Å; L1160-N1162 VanDerWaalsContact C-N 3.26Å; L1160-N1162 PolarHBondContact O-N 2.95Å |
| 1163 | L | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 178.1 | -178.5 | 67.5 | 0 | 0 | 0 | 111.9 | L1107 F1159 L1160 I1165 H1166 V1178 V1181 I1185 | L1107-L1163 HydrophobicContact CD1-CD1 3.69Å; F1159-L1163 HydrophobicContact CE1-CD2 4.2Å; F1159-L1163 WeakPolarHBondContact O-CB 3.41Å; F1159-L1163 PolarHBondContact O-N 3.45Å; L1160-L1163 PolarHBondContact O-N 3.47Å; L1163-I1165 PolarHBondContact O-N 3.12Å; L1163-H1166 PolarHBondContact O-N 3.47Å; L1163-H1166 VanDerWaalsContact O-N 3.14Å; L1163-V1178 HydrophobicContact CD1-CG1 3.99Å; L1163-V1178 HydrophobicContact CD1-CG2 4.5Å; L1163-V1178 HydrophobicContact CG-CG1 4Å; L1163-V1181 HydrophobicContact CD1-CG1 4.31Å; L1163-V1181 HydrophobicContact CD2-CB 4.26Å; L1163-V1181 HydrophobicContact CD2-CG1 3.57Å; L1163-I1185 HydrophobicContact CD2-CD1 4.06Å |
| 1164 | I | 92.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.7 | -26.2 | -168.5 | -161 | 140.8 | 0 | 0 | 0 | 113.7 | L1160 H1166 L1167 L1182 V1196 L1197 A1200 H1204 | L1160-I1164 WeakPolarHBondContact O-CB 3.34Å; L1160-I1164 PolarHBondContact O-N 2.98Å; I1164-H1166 PolarHBondContact O-N 2.64Å; I1164-H1166 VanDerWaalsContact O-N 3.1Å; I1164-L1167 HydrophobicContact CD1-CD1 4.17Å; I1164-L1167 HydrophobicContact CG1-CD1 3.95Å; I1164-L1167 HydrophobicContact CG1-CG 4.48Å; I1164-L1167 WeakPolarHBondContact O-CB 3.26Å; I1164-L1167 PolarHBondContact O-N 3.41Å; I1164-L1182 HydrophobicContact CD1-CD1 4.01Å; I1164-V1196 HydrophobicContact CB-CG1 3.88Å; I1164-V1196 HydrophobicContact CD1-CB 4.4Å; I1164-V1196 HydrophobicContact CD1-CG1 3.68Å; I1164-V1196 HydrophobicContact CG1-CG1 4.3Å; I1164-V1196 HydrophobicContact CG2-CG1 3.64Å; I1164-L1197 HydrophobicContact CD1-CD2 3.96Å; I1164-L1197 HydrophobicContact CD1-CG 4.22Å; I1164-A1200 HydrophobicContact CD1-CB 3.51Å; I1164-A1200 HydrophobicContact CG1-CB 3.59Å; I1164-A1200 HydrophobicContact CG2-CB 4.42Å; I1164-H1204 PolarHBondContact O-CE1 3.06Å |
| 1165 | I | 91.8 | Very high | 92.4 | Very high | 105 Ų | 105 | 36.2 Ų | 36.2 | 54% | 0.538 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -55.3 | -32.2 | 177.3 | -58.6 | 167.1 | 0 | 0 | 0 | 110.7 | L1163 L1167 D1168 | L1163-I1165 PolarHBondContact O-N 3.12Å; I1165-L1167 VanDerWaalsContact C-N 3.29Å; I1165-L1167 PolarHBondContact O-N 3.08Å; I1165-D1168 PolarHBondContact O-N 2.91Å |
| 1166 | H | 93.2 | Very high | 92.7 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -78.8 | -4.6 | -179.8 | -59.3 | -70.6 | 0 | 0 | 0 | 114.5 | L1107 N1108 R1115 L1163 I1164 D1169 I1174 V1178 | L1107-H1166 WeakPolarHBondContact CB-NE2 3.46Å; L1107-H1166 PolarHBondContact O-CE1 3.41Å; N1108-H1166 PolarHBondContact OD1-CE1 2.83Å; N1108-H1166 VanDerWaalsContact OD1-CE1 3.22Å; R1115-H1166 PolarHBondContact NH2-ND1 3.43Å; L1163-H1166 PolarHBondContact O-N 3.47Å; L1163-H1166 VanDerWaalsContact O-N 3.14Å; I1164-H1166 PolarHBondContact O-N 2.64Å; I1164-H1166 VanDerWaalsContact O-N 3.1Å; H1166-D1169 VanDerWaalsContact O-CB 3.24Å; H1166-D1169 WeakPolarHBondContact O-CB 3.31Å; H1166-D1169 PolarHBondContact O-N 3.46Å; H1166-I1174 HydrophobicContact CB-CG2 4.5Å; H1166-V1178 HydrophobicContact CB-CG1 4.32Å; H1166-V1178 HydrophobicContact CB-CG2 3.66Å |
| 1167 | L | 92.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -73.1 | -17.5 | 167.3 | -73.7 | -177.6 | 0 | 0 | 0 | 112.6 | I1164 I1165 R1175 V1178 S1179 L1182 L1197 L1209 L1213 | I1164-L1167 HydrophobicContact CD1-CD1 4.17Å; I1164-L1167 HydrophobicContact CG1-CD1 3.95Å; I1164-L1167 HydrophobicContact CG1-CG 4.48Å; I1164-L1167 WeakPolarHBondContact O-CB 3.26Å; I1164-L1167 PolarHBondContact O-N 3.41Å; I1165-L1167 VanDerWaalsContact C-N 3.29Å; I1165-L1167 PolarHBondContact O-N 3.08Å; L1167-R1175 WeakPolarHBondContact O-CD 3.24Å; L1167-R1175 WeakPolarHBondContact O-CG 3.1Å; L1167-V1178 HydrophobicContact CD2-CB 4.11Å; L1167-V1178 HydrophobicContact CD2-CG1 3.74Å; L1167-V1178 HydrophobicContact CG-CG1 3.87Å; L1167-S1179 WeakPolarHBondContact CD2-OG 3.28Å; L1167-L1182 HydrophobicContact CD1-CD1 4.24Å; L1167-L1197 HydrophobicContact CD1-CD2 4.09Å; L1167-L1209 HydrophobicContact CB-CD2 4.37Å; L1167-L1209 HydrophobicContact CD2-CD2 3.83Å; L1167-L1213 HydrophobicContact CD1-CD1 3.83Å; L1167-L1213 HydrophobicContact CD2-CD1 4.14Å |
| 1168 | D | 92.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 31.9 Ų | 31.9 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -96.5 | 10.9 | 173.1 | -156.2 | 45.6 | 0 | 0 | 0 | 112.3 | I1165 H1204 R1205 | I1165-D1168 PolarHBondContact O-N 2.91Å; D1168-H1204 HydrophobicContact CB-CB 4.21Å; D1168-R1205 WeakPolarHBondContact OD1-CB 3.17Å; D1168-R1205 PolarHBondContact OD1-N 2.99Å; D1168-R1205 WeakPolarHBondContact OD2-CG 3.47Å; D1168-R1205 PolarHBondContact OD2-N 2.93Å; D1168-R1205 IonicContact OD2-NE 3.99Å |
| 1169 | D | 93.6 | Very high | 93.2 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 10% | 0.102 | 15% | 0.15 | C | C | . | . | trans | -62.6 | 142.1 | 179.5 | -167.2 | -88 | 0 | 0 | 0 | 111.4 | R1115 H1166 N1171 I1174 R1175 | R1115-D1169 IonicContact CZ-OD2 2.71Å; R1115-D1169 IonicContact NH1-OD1 3.73Å; R1115-D1169 IonicContact NH1-OD2 3.78Å; R1115-D1169 PolarHBondContact NH1-OD2 3.15Å; R1115-D1169 IonicContact NH2-OD2 2.81Å; R1115-D1169 PolarHBondContact NH2-OD2 2.6Å; H1166-D1169 VanDerWaalsContact O-CB 3.24Å; H1166-D1169 WeakPolarHBondContact O-CB 3.31Å; H1166-D1169 PolarHBondContact O-N 3.46Å; D1169-N1171 VanDerWaalsContact C-N 3.29Å; D1169-N1171 PolarHBondContact O-N 2.86Å; D1169-N1171 VanDerWaalsContact OD1-CB 3.31Å; D1169-N1171 WeakPolarHBondContact OD1-CB 3.22Å; D1169-N1171 PolarHBondContact OD1-N 3.34Å; D1169-I1174 HydrophobicContact CB-CB 4.36Å; D1169-I1174 HydrophobicContact CB-CG2 4.02Å; D1169-R1175 HydrophobicContact CB-CG 4.3Å; D1169-R1175 VanDerWaalsContact O-CD 3.25Å; D1169-R1175 WeakPolarHBondContact O-CD 3.29Å; D1169-R1175 VanDerWaalsContact O-CG 3.31Å; D1169-R1175 WeakPolarHBondContact O-CG 3.31Å; D1169-R1175 PolarHBondContact O-NH1 3.26Å | ||
| 1170 | P | 90.1 | Very high | 93.2 | Very high | 114 Ų | 114 | 28.6 Ų | 28.6 | 74% | 0.74 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -63.5 | -29.4 | 177.8 | 24.8 | -35.6 | 0 | 0 | 0 | 114.1 | S1172 R1175 | P1170-S1172 PolarHBondContact O-N 3.32Å; P1170-R1175 PolarHBondContact O-NH1 3.3Å |
| 1171 | N | 93.2 | Very high | 93.2 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | trans | -81.4 | 116.5 | -179.2 | -173.2 | -23 | 0 | 0 | 0 | 111 | D1112 D1169 R1173 I1174 R1175 | D1112-N1171 PolarHBondContact OD2-ND2 3.04Å; D1169-N1171 VanDerWaalsContact C-N 3.29Å; D1169-N1171 PolarHBondContact O-N 2.86Å; D1169-N1171 VanDerWaalsContact OD1-CB 3.31Å; D1169-N1171 WeakPolarHBondContact OD1-CB 3.22Å; D1169-N1171 PolarHBondContact OD1-N 3.34Å; N1171-R1173 PolarHBondContact O-N 3.49Å; N1171-R1173 WeakPolarHBondContact OD1-CB 3.39Å; N1171-R1173 PolarHBondContact OD1-N 3.33Å; N1171-I1174 HydrophobicContact CB-CB 4.28Å; N1171-I1174 HydrophobicContact CB-CD1 3.97Å; N1171-I1174 HydrophobicContact CB-CG1 4.02Å; N1171-I1174 PolarHBondContact O-N 3.34Å; N1171-R1175 PolarHBondContact O-N 3.01Å; N1171-R1175 VanDerWaalsContact O-N 3.11Å | ||
| 1172 | S | 92.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 24% | 0.238 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.7 | -31.5 | 179 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | E940 S941 P1170 I1174 R1175 A1176 | E940-S1172 WeakPolarHBondContact CB-O 3.32Å; S941-S1172 WeakPolarHBondContact OG-CB 3.48Å; S941-S1172 PolarHBondContact OG-OG 3.39Å; P1170-S1172 PolarHBondContact O-N 3.32Å; S1172-I1174 VanDerWaalsContact C-N 3.31Å; S1172-I1174 PolarHBondContact O-N 3.18Å; S1172-R1175 PolarHBondContact O-N 3.19Å; S1172-A1176 WeakPolarHBondContact O-CB 3.38Å; S1172-A1176 PolarHBondContact O-N 2.88Å |
| 1173 | R | 94 | Very high | 93.3 | Very high | 82 Ų | 82 | 24 Ų | 24 | 31% | 0.309 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -65.5 | -37.5 | 175.2 | -68.8 | -173 | -80.9 | 176.1 | -8.5 | 111.2 | E944 I945 L1116 N1171 A1176 S1177 | E944-R1173 WeakPolarHBondContact OE2-CD 3.41Å; I945-R1173 HydrophobicContact CD1-CB 4.26Å; I945-R1173 VanDerWaalsContact CD1-O 3.29Å; I945-R1173 WeakPolarHBondContact CD1-O 3.14Å; I945-R1173 HydrophobicContact CG1-CB 4.35Å; I945-R1173 HydrophobicContact CG1-CG 4.37Å; L1116-R1173 HydrophobicContact CD1-CB 4.31Å; L1116-R1173 HydrophobicContact CD2-CB 3.88Å; N1171-R1173 PolarHBondContact O-N 3.49Å; N1171-R1173 WeakPolarHBondContact OD1-CB 3.39Å; N1171-R1173 PolarHBondContact OD1-N 3.33Å; R1173-A1176 PolarHBondContact O-N 3.44Å; R1173-S1177 PolarHBondContact O-N 2.99Å; R1173-S1177 PolarHBondContact O-OG 2.81Å |
| 1174 | I | 94.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71.3 | -44.9 | 179 | -62.8 | -177.9 | 0 | 0 | 0 | 110.1 | D1112 R1115 L1116 H1166 D1169 N1171 S1172 A1176 S1177 V1178 | D1112-I1174 HydrophobicContact CB-CD1 4.08Å; D1112-I1174 VanDerWaalsContact OD1-CD1 3.3Å; D1112-I1174 WeakPolarHBondContact OD1-CD1 3.45Å; R1115-I1174 HydrophobicContact CB-CD1 4.01Å; L1116-I1174 HydrophobicContact CD2-CG1 3.99Å; L1116-I1174 HydrophobicContact CG-CG1 4.44Å; H1166-I1174 HydrophobicContact CB-CG2 4.5Å; D1169-I1174 HydrophobicContact CB-CB 4.36Å; D1169-I1174 HydrophobicContact CB-CG2 4.02Å; N1171-I1174 HydrophobicContact CB-CB 4.28Å; N1171-I1174 HydrophobicContact CB-CD1 3.97Å; N1171-I1174 HydrophobicContact CB-CG1 4.02Å; N1171-I1174 PolarHBondContact O-N 3.34Å; S1172-I1174 VanDerWaalsContact C-N 3.31Å; S1172-I1174 PolarHBondContact O-N 3.18Å; I1174-A1176 VanDerWaalsContact C-N 3.27Å; I1174-A1176 PolarHBondContact O-N 3.46Å; I1174-S1177 PolarHBondContact O-N 3.28Å; I1174-V1178 HydrophobicContact CG2-CG2 4.14Å; I1174-V1178 WeakPolarHBondContact O-CB 3.48Å; I1174-V1178 WeakPolarHBondContact O-CG2 3.46Å; I1174-V1178 PolarHBondContact O-N 2.76Å |
| 1175 | R | 94 | Very high | 93.1 | Very high | 50 Ų | 50 | 23.7 Ų | 23.7 | 19% | 0.189 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.5 | -42.3 | 172.5 | -63.9 | -163.6 | -60.5 | -85 | -1 | 111.9 | E940 L1167 D1169 P1170 N1171 S1172 S1179 L1209 | E940-R1175 HydrophobicContact CG-CB 3.95Å; E940-R1175 IonicContact OE1-CZ 2.81Å; E940-R1175 IonicContact OE1-NE 3.67Å; E940-R1175 PolarHBondContact OE1-NE 3.37Å; E940-R1175 IonicContact OE1-NH2 3.23Å; E940-R1175 IonicContact OE2-CZ 3.27Å; E940-R1175 IonicContact OE2-NE 3.4Å; E940-R1175 PolarHBondContact OE2-NE 3.3Å; E940-R1175 IonicContact OE2-NH2 2.88Å; E940-R1175 PolarHBondContact OE2-NH2 2.82Å; L1167-R1175 WeakPolarHBondContact O-CD 3.24Å; L1167-R1175 WeakPolarHBondContact O-CG 3.1Å; D1169-R1175 HydrophobicContact CB-CG 4.3Å; D1169-R1175 VanDerWaalsContact O-CD 3.25Å; D1169-R1175 WeakPolarHBondContact O-CD 3.29Å; D1169-R1175 VanDerWaalsContact O-CG 3.31Å; D1169-R1175 WeakPolarHBondContact O-CG 3.31Å; D1169-R1175 PolarHBondContact O-NH1 3.26Å; P1170-R1175 PolarHBondContact O-NH1 3.3Å; N1171-R1175 PolarHBondContact O-N 3.01Å; N1171-R1175 VanDerWaalsContact O-N 3.11Å; S1172-R1175 PolarHBondContact O-N 3.19Å; R1175-S1179 VanDerWaalsContact O-CB 3.3Å; R1175-S1179 WeakPolarHBondContact O-CB 3.05Å; R1175-S1179 PolarHBondContact O-N 3.21Å; R1175-S1179 PolarHBondContact O-OG 3.36Å; R1175-L1209 HydrophobicContact CB-CD2 3.94Å; R1175-L1209 HydrophobicContact CG-CD2 4.43Å |
| 1176 | A | 93.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.7 | -49.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E940 M942 I945 S1172 R1173 I1174 V1178 S1179 R1180 | E940-A1176 HydrophobicContact CB-CB 3.92Å; M942-A1176 HydrophobicContact CB-CB 4.41Å; M942-A1176 HydrophobicContact SD-CB 4.42Å; I945-A1176 HydrophobicContact CD1-CB 3.49Å; I945-A1176 VanDerWaalsContact CD1-CB 3.49Å; S1172-A1176 WeakPolarHBondContact O-CB 3.38Å; S1172-A1176 PolarHBondContact O-N 2.88Å; R1173-A1176 PolarHBondContact O-N 3.44Å; I1174-A1176 VanDerWaalsContact C-N 3.27Å; I1174-A1176 PolarHBondContact O-N 3.46Å; A1176-V1178 VanDerWaalsContact C-N 3.35Å; A1176-V1178 PolarHBondContact O-N 2.99Å; A1176-S1179 WeakPolarHBondContact O-CB 3.38Å; A1176-S1179 PolarHBondContact O-N 3.05Å; A1176-R1180 PolarHBondContact O-N 2.72Å |
| 1177 | S | 93.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 178.1 | -71.6 | 0 | 0 | 0 | 0 | 112.6 | I945 L1116 R1173 I1174 R1180 V1181 | I945-S1177 WeakPolarHBondContact CD1-OG 3.41Å; L1116-S1177 VanDerWaalsContact CD2-OG 3.3Å; L1116-S1177 WeakPolarHBondContact CD2-OG 3.12Å; R1173-S1177 PolarHBondContact O-N 2.99Å; R1173-S1177 PolarHBondContact O-OG 2.81Å; I1174-S1177 PolarHBondContact O-N 3.28Å; S1177-R1180 WeakPolarHBondContact O-CB 3.49Å; S1177-R1180 PolarHBondContact O-N 3.29Å; S1177-V1181 WeakPolarHBondContact O-CG2 3.29Å; S1177-V1181 PolarHBondContact O-N 3.07Å; S1177-V1181 VanDerWaalsContact O-N 3.08Å |
| 1178 | V | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.8 | -41 | 177.5 | 174 | 0 | 0 | 0 | 0 | 110.9 | L1163 H1166 L1167 I1174 A1176 R1180 V1181 L1182 | L1163-V1178 HydrophobicContact CD1-CG1 3.99Å; L1163-V1178 HydrophobicContact CD1-CG2 4.5Å; L1163-V1178 HydrophobicContact CG-CG1 4Å; H1166-V1178 HydrophobicContact CB-CG1 4.32Å; H1166-V1178 HydrophobicContact CB-CG2 3.66Å; L1167-V1178 HydrophobicContact CD2-CB 4.11Å; L1167-V1178 HydrophobicContact CD2-CG1 3.74Å; L1167-V1178 HydrophobicContact CG-CG1 3.87Å; I1174-V1178 HydrophobicContact CG2-CG2 4.14Å; I1174-V1178 WeakPolarHBondContact O-CB 3.48Å; I1174-V1178 WeakPolarHBondContact O-CG2 3.46Å; I1174-V1178 PolarHBondContact O-N 2.76Å; A1176-V1178 VanDerWaalsContact C-N 3.35Å; A1176-V1178 PolarHBondContact O-N 2.99Å; V1178-R1180 PolarHBondContact O-N 2.85Å; V1178-V1181 PolarHBondContact O-N 3.16Å; V1178-L1182 WeakPolarHBondContact O-CB 3.49Å; V1178-L1182 PolarHBondContact O-N 2.86Å |
| 1179 | S | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.1 | -43.2 | 172.3 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | L1167 R1175 A1176 L1182 L1183 | L1167-S1179 WeakPolarHBondContact CD2-OG 3.28Å; R1175-S1179 VanDerWaalsContact O-CB 3.3Å; R1175-S1179 WeakPolarHBondContact O-CB 3.05Å; R1175-S1179 PolarHBondContact O-N 3.21Å; R1175-S1179 PolarHBondContact O-OG 3.36Å; A1176-S1179 WeakPolarHBondContact O-CB 3.38Å; A1176-S1179 PolarHBondContact O-N 3.05Å; S1179-L1182 PolarHBondContact O-N 3.46Å; S1179-L1183 WeakPolarHBondContact O-CG 3.34Å; S1179-L1183 PolarHBondContact O-N 3.15Å |
| 1180 | R | 92.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 176.4 | -166.6 | -173 | -177.9 | -149.7 | -6.7 | 112.3 | D931 L934 M942 E1120 A1176 S1177 V1178 L1183 R1184 | D931-R1180 IonicContact OD1-CZ 3.65Å; D931-R1180 IonicContact OD1-NE 2.96Å; D931-R1180 PolarHBondContact OD1-NE 3.31Å; D931-R1180 IonicContact OD1-NH2 2.91Å; D931-R1180 IonicContact OD2-CZ 3.76Å; D931-R1180 IonicContact OD2-NE 3.77Å; D931-R1180 IonicContact OD2-NH2 2.88Å; D931-R1180 PolarHBondContact OD2-NH2 2.91Å; L934-R1180 HydrophobicContact CD1-CB 3.79Å; L934-R1180 HydrophobicContact CD1-CG 3.87Å; M942-R1180 HydrophobicContact CE-CG 4.3Å; E1120-R1180 IonicContact OE1-CZ 3.44Å; E1120-R1180 IonicContact OE1-NH1 2.68Å; E1120-R1180 PolarHBondContact OE1-NH1 3.28Å; E1120-R1180 IonicContact OE2-CZ 3.3Å; E1120-R1180 IonicContact OE2-NH1 3.74Å; E1120-R1180 PolarHBondContact OE2-NH1 3.1Å; A1176-R1180 PolarHBondContact O-N 2.72Å; S1177-R1180 WeakPolarHBondContact O-CB 3.49Å; S1177-R1180 PolarHBondContact O-N 3.29Å; V1178-R1180 PolarHBondContact O-N 2.85Å; R1180-L1183 PolarHBondContact O-N 3.39Å; R1180-R1184 WeakPolarHBondContact O-CG 3.42Å; R1180-R1184 PolarHBondContact O-N 3.19Å; R1180-R1184 VanDerWaalsContact O-N 3.14Å |
| 1181 | V | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | C1119 I1122 N1123 I1126 L1163 S1177 V1178 L1183 R1184 I1185 | C1119-V1181 HydrophobicContact CB-CG2 4.06Å; I1122-V1181 HydrophobicContact CB-CG1 4.45Å; I1122-V1181 HydrophobicContact CB-CG2 4.41Å; I1122-V1181 HydrophobicContact CG2-CG1 3.49Å; I1122-V1181 VanDerWaalsContact CG2-CG1 3.49Å; I1122-V1181 HydrophobicContact CG2-CG2 4.26Å; N1123-V1181 WeakPolarHBondContact OD1-CA 3.24Å; N1123-V1181 WeakPolarHBondContact OD1-CG2 3.5Å; I1126-V1181 HydrophobicContact CD1-CG1 3.85Å; L1163-V1181 HydrophobicContact CD1-CG1 4.31Å; L1163-V1181 HydrophobicContact CD2-CB 4.26Å; L1163-V1181 HydrophobicContact CD2-CG1 3.57Å; S1177-V1181 WeakPolarHBondContact O-CG2 3.29Å; S1177-V1181 PolarHBondContact O-N 3.07Å; S1177-V1181 VanDerWaalsContact O-N 3.08Å; V1178-V1181 PolarHBondContact O-N 3.16Å; V1181-L1183 VanDerWaalsContact C-N 3.34Å; V1181-L1183 PolarHBondContact O-N 3.34Å; V1181-R1184 WeakPolarHBondContact O-CA 3.32Å; V1181-R1184 VanDerWaalsContact O-CB 3.27Å; V1181-R1184 WeakPolarHBondContact O-CB 3.33Å; V1181-R1184 PolarHBondContact O-N 3.12Å; V1181-I1185 HydrophobicContact CG1-CD1 4.21Å; V1181-I1185 PolarHBondContact O-N 3.47Å; V1181-I1185 VanDerWaalsContact O-N 3.14Å |
| 1182 | L | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | -177.6 | -174.1 | 132.8 | 0 | 0 | 0 | 111.8 | I1164 L1167 V1178 S1179 R1184 I1185 N1186 V1193 L1197 L1213 | I1164-L1182 HydrophobicContact CD1-CD1 4.01Å; L1167-L1182 HydrophobicContact CD1-CD1 4.24Å; V1178-L1182 WeakPolarHBondContact O-CB 3.49Å; V1178-L1182 PolarHBondContact O-N 2.86Å; S1179-L1182 PolarHBondContact O-N 3.46Å; L1182-R1184 VanDerWaalsContact C-N 3.31Å; L1182-R1184 PolarHBondContact O-N 3.13Å; L1182-I1185 PolarHBondContact O-N 3.22Å; L1182-N1186 PolarHBondContact O-N 3.4Å; L1182-V1193 HydrophobicContact CD2-CG1 3.5Å; L1182-V1193 HydrophobicContact CG-CG1 3.89Å; L1182-L1197 HydrophobicContact CD1-CD2 4.5Å; L1182-L1197 HydrophobicContact CD2-CD1 3.94Å; L1182-L1197 HydrophobicContact CD2-CD2 4.15Å; L1182-L1197 HydrophobicContact CD2-CG 4.16Å; L1182-L1213 HydrophobicContact CD2-CD1 4.34Å |
| 1183 | L | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.6 | -27.3 | 174.1 | -66.2 | -169.4 | 0 | 0 | 0 | 113 | I930 W933 L934 S1179 R1180 V1181 N1186 L1213 F1216 | I930-L1183 HydrophobicContact CD1-CB 4.2Å; I930-L1183 VanDerWaalsContact CD1-O 3.26Å; I930-L1183 WeakPolarHBondContact CD1-O 3.37Å; I930-L1183 HydrophobicContact CG1-CB 4.33Å; I930-L1183 HydrophobicContact CG2-CB 3.64Å; I930-L1183 HydrophobicContact CG2-CD1 4.02Å; I930-L1183 HydrophobicContact CG2-CG 4.49Å; W933-L1183 HydrophobicContact CE3-CD1 3.83Å; W933-L1183 HydrophobicContact CZ3-CD1 3.88Å; L934-L1183 HydrophobicContact CD1-CD1 4.46Å; L934-L1183 HydrophobicContact CD2-CD1 3.69Å; L934-L1183 HydrophobicContact CG-CD1 4.05Å; S1179-L1183 WeakPolarHBondContact O-CG 3.34Å; S1179-L1183 PolarHBondContact O-N 3.15Å; R1180-L1183 PolarHBondContact O-N 3.39Å; V1181-L1183 VanDerWaalsContact C-N 3.34Å; V1181-L1183 PolarHBondContact O-N 3.34Å; L1183-N1186 WeakPolarHBondContact O-CB 3.49Å; L1183-N1186 PolarHBondContact O-N 3.22Å; L1183-L1213 HydrophobicContact CD1-CD2 4.02Å; L1183-L1213 HydrophobicContact CD2-CD2 4.04Å; L1183-L1213 HydrophobicContact CG-CD2 4.03Å; L1183-F1216 HydrophobicContact CB-CE1 4.41Å; L1183-F1216 HydrophobicContact CD1-CD1 3.99Å; L1183-F1216 HydrophobicContact CD1-CE1 4.22Å; L1183-F1216 HydrophobicContact CD1-CG 4.12Å; L1183-F1216 HydrophobicContact CD2-CB 4.35Å; L1183-F1216 HydrophobicContact CD2-CD1 3.43Å; L1183-F1216 VanDerWaalsContact CD2-CD1 3.43Å; L1183-F1216 HydrophobicContact CD2-CE1 3.99Å; L1183-F1216 HydrophobicContact CD2-CG 4.1Å; L1183-F1216 HydrophobicContact CG-CD1 4.21Å; L1183-F1216 HydrophobicContact CG-CE1 4.43Å |
| 1184 | R | 90.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 169 | -61 | -47.6 | -163.2 | -147.2 | -0.9 | 111.3 | E927 D931 N1123 I1126 R1180 V1181 L1182 N1186 Q1187 | E927-R1184 VanDerWaalsContact CB-NH1 3.25Å; E927-R1184 VanDerWaalsContact CG-CZ 3.41Å; E927-R1184 PolarHBondContact O-NH1 3Å; E927-R1184 IonicContact OE1-CZ 2.87Å; E927-R1184 IonicContact OE1-NE 2.64Å; E927-R1184 PolarHBondContact OE1-NE 3.27Å; D931-R1184 IonicContact OD1-CZ 3.66Å; D931-R1184 IonicContact OD1-NH1 2.61Å; D931-R1184 PolarHBondContact OD1-NH1 3.46Å; D931-R1184 IonicContact OD1-NH2 3.74Å; D931-R1184 PolarHBondContact OD1-NH2 3.02Å; D931-R1184 IonicContact OD2-NH2 3.4Å; D931-R1184 PolarHBondContact OD2-NH2 3.35Å; D931-R1184 VanDerWaalsContact OD2-NH2 3.16Å; N1123-R1184 WeakPolarHBondContact OD1-CG 3.44Å; I1126-R1184 HydrophobicContact CD1-CB 4.26Å; I1126-R1184 HydrophobicContact CG2-CB 4.39Å; R1180-R1184 WeakPolarHBondContact O-CG 3.42Å; R1180-R1184 PolarHBondContact O-N 3.19Å; R1180-R1184 VanDerWaalsContact O-N 3.14Å; V1181-R1184 WeakPolarHBondContact O-CA 3.32Å; V1181-R1184 VanDerWaalsContact O-CB 3.27Å; V1181-R1184 WeakPolarHBondContact O-CB 3.33Å; V1181-R1184 PolarHBondContact O-N 3.12Å; L1182-R1184 VanDerWaalsContact C-N 3.31Å; L1182-R1184 PolarHBondContact O-N 3.13Å; R1184-N1186 VanDerWaalsContact C-N 3.28Å; R1184-N1186 PolarHBondContact O-N 3.48Å; R1184-Q1187 VanDerWaalsContact O-CB 3.31Å; R1184-Q1187 WeakPolarHBondContact O-CB 3.42Å; R1184-Q1187 WeakPolarHBondContact O-CG 3.3Å; R1184-Q1187 PolarHBondContact O-N 2.86Å |
| 1185 | I | 92.1 | Very high | 92 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.2 | -33.4 | -179.3 | -59.7 | 168.4 | 0 | 0 | 0 | 110.8 | I1126 I1156 F1159 L1160 L1163 V1181 L1182 Q1187 F1188 A1189 V1193 | I1126-I1185 HydrophobicContact CD1-CD1 4.02Å; I1126-I1185 HydrophobicContact CD1-CG1 3.57Å; I1126-I1185 HydrophobicContact CG1-CG1 4.38Å; I1156-I1185 HydrophobicContact CG2-CG2 4.14Å; F1159-I1185 HydrophobicContact CD1-CD1 3.96Å; F1159-I1185 HydrophobicContact CE1-CD1 3.75Å; L1160-I1185 HydrophobicContact CD1-CG2 4.16Å; L1160-I1185 HydrophobicContact CD2-CB 4.31Å; L1160-I1185 HydrophobicContact CD2-CD1 3.65Å; L1160-I1185 HydrophobicContact CD2-CG2 3.99Å; L1160-I1185 HydrophobicContact CG-CD1 4.45Å; L1160-I1185 HydrophobicContact CG-CG2 4.33Å; L1163-I1185 HydrophobicContact CD2-CD1 4.06Å; V1181-I1185 HydrophobicContact CG1-CD1 4.21Å; V1181-I1185 PolarHBondContact O-N 3.47Å; V1181-I1185 VanDerWaalsContact O-N 3.14Å; L1182-I1185 PolarHBondContact O-N 3.22Å; I1185-Q1187 PolarHBondContact O-N 3.28Å; I1185-Q1187 VanDerWaalsContact O-N 3.08Å; I1185-F1188 HydrophobicContact CB-CZ 4.43Å; I1185-F1188 HydrophobicContact CG1-CZ 4.49Å; I1185-F1188 HydrophobicContact CG2-CE2 4.38Å; I1185-F1188 HydrophobicContact CG2-CZ 4.05Å; I1185-F1188 PolarHBondContact O-N 3.2Å; I1185-F1188 VanDerWaalsContact O-N 3.12Å; I1185-A1189 HydrophobicContact CG2-CB 3.99Å; I1185-A1189 PolarHBondContact O-N 3.28Å; I1185-V1193 HydrophobicContact CB-CG2 4.24Å; I1185-V1193 HydrophobicContact CG2-CG2 3.94Å |
| 1186 | N | 91.6 | Very high | 91.9 | Very high | 10 Ų | 10 | 18.7 Ų | 18.7 | 5% | 0.053 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.1 | -25.1 | 176 | -175 | 67.3 | 0 | 0 | 0 | 113.2 | L1182 L1183 R1184 F1188 S1190 V1193 C1217 | L1182-N1186 PolarHBondContact O-N 3.4Å; L1183-N1186 WeakPolarHBondContact O-CB 3.49Å; L1183-N1186 PolarHBondContact O-N 3.22Å; R1184-N1186 VanDerWaalsContact C-N 3.28Å; R1184-N1186 PolarHBondContact O-N 3.48Å; N1186-F1188 PolarHBondContact O-N 3.27Å; N1186-S1190 WeakPolarHBondContact OD1-CA 3.39Å; N1186-S1190 WeakPolarHBondContact OD1-CB 3.28Å; N1186-S1190 PolarHBondContact OD1-OG 2.88Å; N1186-V1193 HydrophobicContact CB-CB 4.4Å; N1186-V1193 HydrophobicContact CB-CG1 4.25Å; N1186-V1193 HydrophobicContact CB-CG2 4.26Å; N1186-C1217 VanDerWaalsContact CG-SG 3.53Å; N1186-C1217 PolarHBondContact OD1-SG 3.04Å |
| 1187 | Q | 88.2 | Confident | 91.8 | Very high | 56 Ų | 56 | 18.7 Ų | 18.7 | 26% | 0.262 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -61.3 | -25.9 | 178.7 | -63 | -175.6 | -14.6 | 0 | 0 | 113.4 | S926 I930 R1184 I1185 | S926-Q1187 VanDerWaalsContact C-NE2 3.32Å; S926-Q1187 PolarHBondContact O-NE2 3.37Å; S926-Q1187 PolarHBondContact OG-NE2 3.29Å; S926-Q1187 PolarHBondContact OG-OE1 2.91Å; I930-Q1187 HydrophobicContact CD1-CG 3.9Å; R1184-Q1187 VanDerWaalsContact O-CB 3.31Å; R1184-Q1187 WeakPolarHBondContact O-CB 3.42Å; R1184-Q1187 WeakPolarHBondContact O-CG 3.3Å; R1184-Q1187 PolarHBondContact O-N 2.86Å; I1185-Q1187 PolarHBondContact O-N 3.28Å; I1185-Q1187 VanDerWaalsContact O-N 3.08Å |
| 1188 | F | 87.5 | Confident | 91.7 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -129.9 | -16 | -179.1 | 62.8 | -89.1 | 0 | 0 | 0 | 115.3 | I1126 I1130 L1133 T1134 Q1146 L1148 I1185 N1186 | I1126-F1188 HydrophobicContact CG2-CE1 3.73Å; I1126-F1188 HydrophobicContact CG2-CZ 4.22Å; I1130-F1188 HydrophobicContact CD1-CD1 4.26Å; I1130-F1188 HydrophobicContact CD1-CE1 4.25Å; I1130-F1188 HydrophobicContact CG1-CD1 3.8Å; I1130-F1188 HydrophobicContact CG1-CE1 3.73Å; L1133-F1188 HydrophobicContact CB-CE2 4.42Å; L1133-F1188 HydrophobicContact CD1-CE2 4.03Å; L1133-F1188 HydrophobicContact CD1-CZ 4.13Å; T1134-F1188 HydrophobicContact CG2-CB 3.52Å; T1134-F1188 HydrophobicContact CG2-CD2 4.12Å; T1134-F1188 HydrophobicContact CG2-CG 3.96Å; Q1146-F1188 WeakPolarHBondContact O-CA 3.44Å; Q1146-F1188 VanDerWaalsContact O-CB 3.28Å; Q1146-F1188 WeakPolarHBondContact O-CB 3.33Å; L1148-F1188 HydrophobicContact CB-CD2 4.34Å; L1148-F1188 WeakPolarHBondContact CB-O 3.39Å; L1148-F1188 HydrophobicContact CD1-CD2 3.94Å; L1148-F1188 HydrophobicContact CD1-CE2 4Å; L1148-F1188 PolarHBondContact N-O 2.9Å; I1185-F1188 HydrophobicContact CB-CZ 4.43Å; I1185-F1188 HydrophobicContact CG1-CZ 4.49Å; I1185-F1188 HydrophobicContact CG2-CE2 4.38Å; I1185-F1188 HydrophobicContact CG2-CZ 4.05Å; I1185-F1188 PolarHBondContact O-N 3.2Å; I1185-F1188 VanDerWaalsContact O-N 3.12Å; N1186-F1188 PolarHBondContact O-N 3.27Å |
| 1189 | A | 90 | Very high | 91.4 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -128.8 | 45.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1148 I1156 I1185 D1191 L1192 V1193 | L1148-A1189 HydrophobicContact CB-CB 4.17Å; L1148-A1189 HydrophobicContact CD2-CB 3.93Å; I1156-A1189 HydrophobicContact CG2-CB 4.18Å; I1185-A1189 HydrophobicContact CG2-CB 3.99Å; I1185-A1189 PolarHBondContact O-N 3.28Å; A1189-D1191 VanDerWaalsContact C-N 3.34Å; A1189-D1191 PolarHBondContact O-N 2.86Å; A1189-L1192 HydrophobicContact CB-CB 4.47Å; A1189-L1192 HydrophobicContact CB-CD1 4.44Å; A1189-L1192 PolarHBondContact O-N 3.17Å; A1189-V1193 WeakPolarHBondContact O-CG2 3.48Å; A1189-V1193 PolarHBondContact O-N 3.22Å |
| 1190 | S | 89.2 | Confident | 91.2 | Very high | 24 Ų | 24 | 28.4 Ų | 28.4 | 17% | 0.168 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.4 | -43.6 | -173.9 | -166.6 | 0 | 0 | 0 | 0 | 113.6 | N1186 L1192 V1193 I1194 | N1186-S1190 WeakPolarHBondContact OD1-CA 3.39Å; N1186-S1190 WeakPolarHBondContact OD1-CB 3.28Å; N1186-S1190 PolarHBondContact OD1-OG 2.88Å; S1190-L1192 VanDerWaalsContact C-N 3.33Å; S1190-L1192 PolarHBondContact O-N 3.41Å; S1190-V1193 PolarHBondContact O-N 3.49Å; S1190-V1193 VanDerWaalsContact O-N 3.16Å; S1190-I1194 WeakPolarHBondContact O-CG1 3.31Å; S1190-I1194 PolarHBondContact O-N 2.89Å |
| 1191 | D | 89.2 | Confident | 90.9 | Very high | 122 Ų | 122 | 32.1 Ų | 32.1 | 65% | 0.652 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -58.9 | -42.5 | 179.4 | -62.4 | -36.5 | 0 | 0 | 0 | 112.6 | A1189 K1195 | A1189-D1191 VanDerWaalsContact C-N 3.34Å; A1189-D1191 PolarHBondContact O-N 2.86Å; D1191-K1195 VanDerWaalsContact O-CB 3.3Å; D1191-K1195 WeakPolarHBondContact O-CB 3.48Å; D1191-K1195 PolarHBondContact O-N 2.91Å |
| 1192 | L | 91.7 | Very high | 90.6 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.6 | -42 | 177.3 | -69.2 | -178 | 0 | 0 | 0 | 111.3 | L1148 T1153 I1156 E1157 L1160 A1189 S1190 K1195 V1196 | L1148-L1192 HydrophobicContact CD2-CD1 3.57Å; T1153-L1192 HydrophobicContact CG2-CD1 3.87Å; T1153-L1192 HydrophobicContact CG2-CD2 3.86Å; T1153-L1192 HydrophobicContact CG2-CG 4.26Å; I1156-L1192 HydrophobicContact CB-CD1 4.14Å; I1156-L1192 HydrophobicContact CG2-CD1 3.92Å; E1157-L1192 HydrophobicContact CB-CD1 4.32Å; E1157-L1192 HydrophobicContact CB-CD2 4.18Å; E1157-L1192 HydrophobicContact CG-CD2 4.45Å; L1160-L1192 HydrophobicContact CD1-CB 3.79Å; A1189-L1192 HydrophobicContact CB-CB 4.47Å; A1189-L1192 HydrophobicContact CB-CD1 4.44Å; A1189-L1192 PolarHBondContact O-N 3.17Å; S1190-L1192 VanDerWaalsContact C-N 3.33Å; S1190-L1192 PolarHBondContact O-N 3.41Å; L1192-K1195 PolarHBondContact O-N 3.03Å; L1192-V1196 WeakPolarHBondContact O-CB 3.26Å; L1192-V1196 VanDerWaalsContact O-CG2 3.26Å; L1192-V1196 WeakPolarHBondContact O-CG2 3.4Å; L1192-V1196 PolarHBondContact O-N 3.34Å |
| 1193 | V | 92.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 178.1 | 175 | 0 | 0 | 0 | 0 | 110.8 | L1160 L1182 I1185 N1186 A1189 S1190 V1196 L1197 | L1160-V1193 HydrophobicContact CD1-CG2 3.97Å; L1160-V1193 HydrophobicContact CD2-CG2 4.11Å; L1182-V1193 HydrophobicContact CD2-CG1 3.5Å; L1182-V1193 HydrophobicContact CG-CG1 3.89Å; I1185-V1193 HydrophobicContact CB-CG2 4.24Å; I1185-V1193 HydrophobicContact CG2-CG2 3.94Å; N1186-V1193 HydrophobicContact CB-CB 4.4Å; N1186-V1193 HydrophobicContact CB-CG1 4.25Å; N1186-V1193 HydrophobicContact CB-CG2 4.26Å; A1189-V1193 WeakPolarHBondContact O-CG2 3.48Å; A1189-V1193 PolarHBondContact O-N 3.22Å; S1190-V1193 PolarHBondContact O-N 3.49Å; S1190-V1193 VanDerWaalsContact O-N 3.16Å; V1193-V1196 PolarHBondContact O-N 3.45Å; V1193-L1197 HydrophobicContact CG1-CD1 3.81Å; V1193-L1197 HydrophobicContact CG1-CG 4.33Å; V1193-L1197 VanDerWaalsContact O-CB 3.29Å; V1193-L1197 WeakPolarHBondContact O-CB 3.29Å; V1193-L1197 WeakPolarHBondContact O-CG 3.35Å; V1193-L1197 PolarHBondContact O-N 2.66Å |
| 1194 | I | 91.7 | Very high | 89.9 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 175.9 | -68.1 | 168.1 | 0 | 0 | 0 | 110.8 | S1190 N1198 L1214 C1217 | S1190-I1194 WeakPolarHBondContact O-CG1 3.31Å; S1190-I1194 PolarHBondContact O-N 2.89Å; I1194-N1198 WeakPolarHBondContact CG2-ND2 3.27Å; I1194-N1198 WeakPolarHBondContact O-CB 3.27Å; I1194-N1198 PolarHBondContact O-N 3.44Å; I1194-N1198 PolarHBondContact O-ND2 3.45Å; I1194-L1214 HydrophobicContact CB-CD2 4.43Å; I1194-L1214 HydrophobicContact CG1-CD2 4.41Å; I1194-L1214 HydrophobicContact CG2-CD2 4.12Å; I1194-C1217 HydrophobicContact CD1-CB 4.17Å; I1194-C1217 HydrophobicContact CG1-CB 3.75Å |
| 1195 | K | 92.2 | Very high | 89.5 | Confident | 116 Ų | 116 | 56.5 Ų | 56.5 | 50% | 0.504 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | 177.5 | -176.7 | -172.1 | -179.1 | -167.3 | 0 | 111.7 | E1157 D1191 L1192 N1198 K1199 | E1157-K1195 WeakPolarHBondContact OE1-CE 3.49Å; E1157-K1195 IonicContact OE1-NZ 2.69Å; E1157-K1195 PolarHBondContact OE1-NZ 3.4Å; E1157-K1195 IonicContact OE2-NZ 3.45Å; E1157-K1195 PolarHBondContact OE2-NZ 2.82Å; D1191-K1195 VanDerWaalsContact O-CB 3.3Å; D1191-K1195 WeakPolarHBondContact O-CB 3.48Å; D1191-K1195 PolarHBondContact O-N 2.91Å; L1192-K1195 PolarHBondContact O-N 3.03Å; K1195-N1198 PolarHBondContact O-N 3.05Å; K1195-K1199 PolarHBondContact O-N 3.48Å; K1195-K1199 VanDerWaalsContact O-N 3.1Å |
| 1196 | V | 91.3 | Very high | 89 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72 | -38.6 | -177.3 | -178 | 0 | 0 | 0 | 0 | 110.7 | L1160 I1164 L1192 V1193 K1199 A1200 | L1160-V1196 HydrophobicContact CB-CG1 4.37Å; L1160-V1196 HydrophobicContact CB-CG2 4.12Å; I1164-V1196 HydrophobicContact CB-CG1 3.88Å; I1164-V1196 HydrophobicContact CD1-CB 4.4Å; I1164-V1196 HydrophobicContact CD1-CG1 3.68Å; I1164-V1196 HydrophobicContact CG1-CG1 4.3Å; I1164-V1196 HydrophobicContact CG2-CG1 3.64Å; L1192-V1196 WeakPolarHBondContact O-CB 3.26Å; L1192-V1196 VanDerWaalsContact O-CG2 3.26Å; L1192-V1196 WeakPolarHBondContact O-CG2 3.4Å; L1192-V1196 PolarHBondContact O-N 3.34Å; V1193-V1196 PolarHBondContact O-N 3.45Å; V1196-K1199 PolarHBondContact O-N 3.12Å; V1196-A1200 VanDerWaalsContact O-CB 3.31Å; V1196-A1200 WeakPolarHBondContact O-CB 3.37Å; V1196-A1200 PolarHBondContact O-N 3.34Å |
| 1197 | L | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 172.4 | -81.2 | 169.5 | 0 | 0 | 0 | 112.6 | I1164 L1167 L1182 V1193 K1199 A1200 K1201 C1210 L1213 L1214 | I1164-L1197 HydrophobicContact CD1-CD2 3.96Å; I1164-L1197 HydrophobicContact CD1-CG 4.22Å; L1167-L1197 HydrophobicContact CD1-CD2 4.09Å; L1182-L1197 HydrophobicContact CD1-CD2 4.5Å; L1182-L1197 HydrophobicContact CD2-CD1 3.94Å; L1182-L1197 HydrophobicContact CD2-CD2 4.15Å; L1182-L1197 HydrophobicContact CD2-CG 4.16Å; V1193-L1197 HydrophobicContact CG1-CD1 3.81Å; V1193-L1197 HydrophobicContact CG1-CG 4.33Å; V1193-L1197 VanDerWaalsContact O-CB 3.29Å; V1193-L1197 WeakPolarHBondContact O-CB 3.29Å; V1193-L1197 WeakPolarHBondContact O-CG 3.35Å; V1193-L1197 PolarHBondContact O-N 2.66Å; L1197-K1199 VanDerWaalsContact C-N 3.32Å; L1197-K1199 PolarHBondContact O-N 2.85Å; L1197-A1200 PolarHBondContact O-N 3.27Å; L1197-K1201 VanDerWaalsContact O-CB 3.32Å; L1197-K1201 WeakPolarHBondContact O-CB 3.16Å; L1197-K1201 PolarHBondContact O-N 2.89Å; L1197-C1210 HydrophobicContact CD2-CB 4.26Å; L1197-L1213 HydrophobicContact CD1-CB 4.13Å; L1197-L1213 HydrophobicContact CD2-CB 4.15Å; L1197-L1213 HydrophobicContact CD2-CD1 4.26Å; L1197-L1214 HydrophobicContact CB-CD1 4.4Å; L1197-L1214 HydrophobicContact CB-CD2 3.7Å; L1197-L1214 HydrophobicContact CB-CG 3.92Å; L1197-L1214 HydrophobicContact CD1-CD2 3.85Å; L1197-L1214 HydrophobicContact CD1-CG 4.01Å; L1197-L1214 HydrophobicContact CG-CD2 4.44Å |
| 1198 | N | 91.6 | Very high | 88.5 | Confident | 72 Ų | 72 | 64.8 Ų | 64.8 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 176.3 | -81.5 | -54.9 | 0 | 0 | 0 | 112.2 | I1194 K1195 | I1194-N1198 WeakPolarHBondContact CG2-ND2 3.27Å; I1194-N1198 WeakPolarHBondContact O-CB 3.27Å; I1194-N1198 PolarHBondContact O-N 3.44Å; I1194-N1198 PolarHBondContact O-ND2 3.45Å; K1195-N1198 PolarHBondContact O-N 3.05Å |
| 1199 | K | 89.4 | Confident | 88.6 | Confident | 127 Ų | 127 | 65.1 Ų | 65.1 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.4 | -44.2 | 174.3 | -174.2 | -177.7 | 175.6 | -170.8 | 0 | 111.5 | K1195 V1196 L1197 L1202 | K1195-K1199 PolarHBondContact O-N 3.48Å; K1195-K1199 VanDerWaalsContact O-N 3.1Å; V1196-K1199 PolarHBondContact O-N 3.12Å; L1197-K1199 VanDerWaalsContact C-N 3.32Å; L1197-K1199 PolarHBondContact O-N 2.85Å; K1199-L1202 PolarHBondContact O-N 2.97Å |
| 1200 | A | 88.4 | Confident | 88.6 | Confident | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1164 V1196 L1197 L1202 C1203 H1204 | I1164-A1200 HydrophobicContact CD1-CB 3.51Å; I1164-A1200 HydrophobicContact CG1-CB 3.59Å; I1164-A1200 HydrophobicContact CG2-CB 4.42Å; V1196-A1200 VanDerWaalsContact O-CB 3.31Å; V1196-A1200 WeakPolarHBondContact O-CB 3.37Å; V1196-A1200 PolarHBondContact O-N 3.34Å; L1197-A1200 PolarHBondContact O-N 3.27Å; A1200-L1202 PolarHBondContact O-N 2.64Å; A1200-L1202 VanDerWaalsContact O-N 3.11Å; A1200-C1203 PolarHBondContact O-N 2.74Å; A1200-H1204 WeakPolarHBondContact O-CB 3.21Å; A1200-H1204 PolarHBondContact O-CD2 3.05Å; A1200-H1204 PolarHBondContact O-N 3.35Å |
| 1201 | K | 88.4 | Confident | 88.6 | Confident | 81 Ų | 81 | 66.4 Ų | 66.4 | 35% | 0.352 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -51.4 | -33.6 | 174.4 | 175.4 | 173.6 | 177.1 | 170.7 | 0 | 113.3 | L1197 C1210 D1211 | L1197-K1201 VanDerWaalsContact O-CB 3.32Å; L1197-K1201 WeakPolarHBondContact O-CB 3.16Å; L1197-K1201 PolarHBondContact O-N 2.89Å; K1201-C1210 HydrophobicContact CB-CB 4.19Å; K1201-D1211 WeakPolarHBondContact CD-OD1 3.29Å; K1201-D1211 WeakPolarHBondContact CE-OD1 3.45Å; K1201-D1211 IonicContact NZ-OD1 3.71Å; K1201-D1211 PolarHBondContact NZ-OD1 3.36Å; K1201-D1211 IonicContact NZ-OD2 3.35Å |
| 1202 | L | 87.8 | Confident | 88.6 | Confident | 153 Ų | 153 | 65 Ų | 65 | 80% | 0.801 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -18.6 | 179.4 | -62.2 | 172.7 | 0 | 0 | 0 | 113.5 | K1199 A1200 | K1199-L1202 PolarHBondContact O-N 2.97Å; A1200-L1202 PolarHBondContact O-N 2.64Å; A1200-L1202 VanDerWaalsContact O-N 3.11Å |
| 1203 | C | 86.1 | Confident | 88.5 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 70% | 0.703 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | -25.3 | -170.2 | -62.2 | 0 | 0 | 0 | 0 | 114.1 | A1200 | A1200-C1203 PolarHBondContact O-N 2.74Š|
| 1204 | H | 87.3 | Confident | 88.4 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -75.6 | 155 | -177.7 | -70.7 | -166.9 | 0 | 0 | 0 | 111.9 | I1164 D1168 A1200 S1206 | I1164-H1204 PolarHBondContact O-CE1 3.06Å; D1168-H1204 HydrophobicContact CB-CB 4.21Å; A1200-H1204 WeakPolarHBondContact O-CB 3.21Å; A1200-H1204 PolarHBondContact O-CD2 3.05Å; A1200-H1204 PolarHBondContact O-N 3.35Å; H1204-S1206 PolarHBondContact O-N 3.48Å |
| 1205 | R | 81.9 | Confident | 88.3 | Confident | 225 Ų | 225 | 69.6 Ų | 69.6 | 85% | 0.849 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -63.1 | -28.8 | -179.6 | -66.3 | 167.7 | -177 | -167.9 | 1.7 | 112.7 | D1168 | D1168-R1205 WeakPolarHBondContact OD1-CB 3.17Å; D1168-R1205 PolarHBondContact OD1-N 2.99Å; D1168-R1205 WeakPolarHBondContact OD2-CG 3.47Å; D1168-R1205 PolarHBondContact OD2-N 2.93Å; D1168-R1205 IonicContact OD2-NE 3.99Å |
| 1206 | S | 81.1 | Confident | 88 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | trans | -136.1 | 128.3 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | H1204 Q1208 | H1204-S1206 PolarHBondContact O-N 3.48Å; S1206-Q1208 VanDerWaalsContact C-N 3.32Å; S1206-Q1208 PolarHBondContact OG-N 2.95Å | ||
| 1207 | S | 84 | Confident | 87.8 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -78 | -15.8 | 175.2 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | L1209 C1210 D1211 | S1207-L1209 VanDerWaalsContact C-N 3.33Å; S1207-L1209 PolarHBondContact O-N 2.83Å; S1207-C1210 WeakPolarHBondContact O-CA 3.45Å; S1207-C1210 WeakPolarHBondContact O-CB 3.09Å; S1207-C1210 PolarHBondContact O-N 3.45Å; S1207-D1211 WeakPolarHBondContact CB-OD2 3.44Å; S1207-D1211 PolarHBondContact O-N 3.27Å; S1207-D1211 PolarHBondContact OG-OD2 2.9Å |
| 1208 | Q | 86.1 | Confident | 87.5 | Confident | 143 Ų | 143 | 68.6 Ų | 68.6 | 67% | 0.668 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.2 | -41.8 | -165.7 | -67.5 | -179.7 | -8.7 | 0 | 0 | 113.3 | S1206 D1211 K1212 | S1206-Q1208 VanDerWaalsContact C-N 3.32Å; S1206-Q1208 PolarHBondContact OG-N 2.95Å; Q1208-D1211 PolarHBondContact O-N 3.46Å; Q1208-K1212 WeakPolarHBondContact O-CG 3.36Å; Q1208-K1212 PolarHBondContact O-N 3.12Å; Q1208-K1212 VanDerWaalsContact O-N 3.12Å |
| 1209 | L | 88.8 | Confident | 86.8 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 178.1 | -176.5 | 60.7 | 0 | 0 | 0 | 111 | I939 E940 L1167 R1175 S1207 D1211 K1212 L1213 | I939-L1209 HydrophobicContact CG2-CD1 3.76Å; E940-L1209 HydrophobicContact CG-CD1 4.06Å; E940-L1209 HydrophobicContact CG-CD2 4.3Å; L1167-L1209 HydrophobicContact CB-CD2 4.37Å; L1167-L1209 HydrophobicContact CD2-CD2 3.83Å; R1175-L1209 HydrophobicContact CB-CD2 3.94Å; R1175-L1209 HydrophobicContact CG-CD2 4.43Å; S1207-L1209 VanDerWaalsContact C-N 3.33Å; S1207-L1209 PolarHBondContact O-N 2.83Å; L1209-D1211 VanDerWaalsContact C-N 3.33Å; L1209-D1211 PolarHBondContact O-N 3.1Å; L1209-K1212 PolarHBondContact O-N 3.3Å; L1209-L1213 HydrophobicContact CD1-CD1 4.39Å; L1209-L1213 HydrophobicContact CD1-CG 4.49Å; L1209-L1213 HydrophobicContact CG-CD1 4.16Å; L1209-L1213 VanDerWaalsContact O-CG 3.28Å; L1209-L1213 WeakPolarHBondContact O-CG 3.33Å; L1209-L1213 PolarHBondContact O-N 3.12Å |
| 1210 | C | 89.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 175.3 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | L1197 K1201 S1207 L1213 L1214 | L1197-C1210 HydrophobicContact CD2-CB 4.26Å; K1201-C1210 HydrophobicContact CB-CB 4.19Å; S1207-C1210 WeakPolarHBondContact O-CA 3.45Å; S1207-C1210 WeakPolarHBondContact O-CB 3.09Å; S1207-C1210 PolarHBondContact O-N 3.45Å; C1210-L1213 PolarHBondContact O-N 3.09Å; C1210-L1214 WeakPolarHBondContact O-CB 3.25Å; C1210-L1214 VanDerWaalsContact O-CG 3.3Å; C1210-L1214 WeakPolarHBondContact O-CG 3.25Å; C1210-L1214 PolarHBondContact O-N 3.48Å |
| 1211 | D | 89.3 | Confident | 84.4 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 178.4 | -70.9 | -40.9 | 0 | 0 | 0 | 111.8 | K1201 S1207 Q1208 L1209 L1214 E1215 | K1201-D1211 WeakPolarHBondContact CD-OD1 3.29Å; K1201-D1211 WeakPolarHBondContact CE-OD1 3.45Å; K1201-D1211 IonicContact NZ-OD1 3.71Å; K1201-D1211 PolarHBondContact NZ-OD1 3.36Å; K1201-D1211 IonicContact NZ-OD2 3.35Å; S1207-D1211 WeakPolarHBondContact CB-OD2 3.44Å; S1207-D1211 PolarHBondContact O-N 3.27Å; S1207-D1211 PolarHBondContact OG-OD2 2.9Å; Q1208-D1211 PolarHBondContact O-N 3.46Å; L1209-D1211 VanDerWaalsContact C-N 3.33Å; L1209-D1211 PolarHBondContact O-N 3.1Å; D1211-L1214 PolarHBondContact O-N 3.43Å; D1211-E1215 PolarHBondContact O-N 3.16Å |
| 1212 | K | 89.5 | Confident | 82.1 | Confident | 94 Ų | 94 | 77.1 Ų | 77.1 | 41% | 0.409 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 174.9 | -72.8 | -175.7 | 178 | -173.3 | 0 | 112.6 | W933 I939 Q1208 L1209 E1215 F1216 | W933-K1212 WeakPolarHBondContact CH2-O 3.47Å; I939-K1212 HydrophobicContact CD1-CB 4.12Å; I939-K1212 HydrophobicContact CD1-CD 3.7Å; Q1208-K1212 WeakPolarHBondContact O-CG 3.36Å; Q1208-K1212 PolarHBondContact O-N 3.12Å; Q1208-K1212 VanDerWaalsContact O-N 3.12Å; L1209-K1212 PolarHBondContact O-N 3.3Å; K1212-E1215 WeakPolarHBondContact O-CB 3.16Å; K1212-E1215 PolarHBondContact O-N 3.05Å; K1212-F1216 PolarHBondContact O-N 3.37Å |
| 1213 | L | 91 | Very high | 81.8 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 178.6 | -65.5 | 172.6 | 0 | 0 | 0 | 111.7 | W933 L1167 L1182 L1183 L1197 L1209 C1210 E1215 F1216 C1217 | W933-L1213 HydrophobicContact CZ3-CD2 4.25Å; L1167-L1213 HydrophobicContact CD1-CD1 3.83Å; L1167-L1213 HydrophobicContact CD2-CD1 4.14Å; L1182-L1213 HydrophobicContact CD2-CD1 4.34Å; L1183-L1213 HydrophobicContact CD1-CD2 4.02Å; L1183-L1213 HydrophobicContact CD2-CD2 4.04Å; L1183-L1213 HydrophobicContact CG-CD2 4.03Å; L1197-L1213 HydrophobicContact CD1-CB 4.13Å; L1197-L1213 HydrophobicContact CD2-CB 4.15Å; L1197-L1213 HydrophobicContact CD2-CD1 4.26Å; L1209-L1213 HydrophobicContact CD1-CD1 4.39Å; L1209-L1213 HydrophobicContact CD1-CG 4.49Å; L1209-L1213 HydrophobicContact CG-CD1 4.16Å; L1209-L1213 VanDerWaalsContact O-CG 3.28Å; L1209-L1213 WeakPolarHBondContact O-CG 3.33Å; L1209-L1213 PolarHBondContact O-N 3.12Å; C1210-L1213 PolarHBondContact O-N 3.09Å; L1213-E1215 VanDerWaalsContact C-N 3.31Å; L1213-E1215 PolarHBondContact O-N 3.38Å; L1213-F1216 WeakPolarHBondContact O-CB 3.45Å; L1213-F1216 PolarHBondContact O-N 3.48Å; L1213-C1217 PolarHBondContact O-N 3.16Å; L1213-C1217 PolarHBondContact O-SG 3.03Å; L1213-C1217 VanDerWaalsContact O-SG 3.34Å |
| 1214 | L | 90 | Very high | 81.6 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 172.6 | -78.3 | 169.2 | 0 | 0 | 0 | 111.8 | I1194 L1197 C1210 D1211 F1216 C1217 H1218 | I1194-L1214 HydrophobicContact CB-CD2 4.43Å; I1194-L1214 HydrophobicContact CG1-CD2 4.41Å; I1194-L1214 HydrophobicContact CG2-CD2 4.12Å; L1197-L1214 HydrophobicContact CB-CD1 4.4Å; L1197-L1214 HydrophobicContact CB-CD2 3.7Å; L1197-L1214 HydrophobicContact CB-CG 3.92Å; L1197-L1214 HydrophobicContact CD1-CD2 3.85Å; L1197-L1214 HydrophobicContact CD1-CG 4.01Å; L1197-L1214 HydrophobicContact CG-CD2 4.44Å; C1210-L1214 WeakPolarHBondContact O-CB 3.25Å; C1210-L1214 VanDerWaalsContact O-CG 3.3Å; C1210-L1214 WeakPolarHBondContact O-CG 3.25Å; C1210-L1214 PolarHBondContact O-N 3.48Å; D1211-L1214 PolarHBondContact O-N 3.43Å; L1214-F1216 VanDerWaalsContact C-N 3.33Å; L1214-F1216 PolarHBondContact O-N 2.98Å; L1214-C1217 PolarHBondContact O-N 3.42Å; L1214-H1218 WeakPolarHBondContact O-CB 3.2Å; L1214-H1218 PolarHBondContact O-CD2 3.18Å; L1214-H1218 PolarHBondContact O-N 3.4Å |
| 1215 | E | 88.4 | Confident | 81.3 | Confident | 129 Ų | 129 | 74 Ų | 74 | 60% | 0.603 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.7 | -43.3 | 173.8 | -170.6 | -177.8 | 175.6 | 0 | 0 | 111.7 | D1211 K1212 L1213 S1219 | D1211-E1215 PolarHBondContact O-N 3.16Å; K1212-E1215 WeakPolarHBondContact O-CB 3.16Å; K1212-E1215 PolarHBondContact O-N 3.05Å; L1213-E1215 VanDerWaalsContact C-N 3.31Å; L1213-E1215 PolarHBondContact O-N 3.38Å; E1215-S1219 WeakPolarHBondContact O-CB 2.99Å; E1215-S1219 PolarHBondContact O-N 3.1Å; E1215-S1219 PolarHBondContact O-OG 3.46Å |
| 1216 | F | 87.5 | Confident | 81.2 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 172.1 | -177.3 | -91 | 0 | 0 | 0 | 112.4 | I930 W933 L1183 K1212 L1213 L1214 H1218 S1219 H1220 | I930-F1216 HydrophobicContact CG1-CE1 4.27Å; I930-F1216 HydrophobicContact CG1-CZ 3.73Å; W933-F1216 HydrophobicContact CB-CD2 4.25Å; W933-F1216 HydrophobicContact CB-CE2 3.97Å; W933-F1216 AromaticContact CD1-CD2 3.71Å; W933-F1216 HydrophobicContact CD2-CB 4.28Å; W933-F1216 AromaticContact CD2-CD2 3.3Å; W933-F1216 HydrophobicContact CD2-CD2 3.3Å; W933-F1216 AromaticContact CD2-CE2 3.94Å; W933-F1216 HydrophobicContact CD2-CE2 3.94Å; W933-F1216 HydrophobicContact CD2-CG 4.11Å; W933-F1216 AromaticContact CE2-CD2 3.51Å; W933-F1216 HydrophobicContact CE3-CB 4.29Å; W933-F1216 AromaticContact CE3-CD2 3.75Å; W933-F1216 HydrophobicContact CE3-CD2 3.75Å; W933-F1216 HydrophobicContact CE3-CE2 4.38Å; W933-F1216 HydrophobicContact CE3-CG 4.19Å; W933-F1216 AromaticContact CG-CD2 3.5Å; W933-F1216 HydrophobicContact CG-CD2 3.5Å; W933-F1216 VanDerWaalsContact CG-CD2 3.5Å; W933-F1216 AromaticContact CG-CE2 3.7Å; W933-F1216 HydrophobicContact CG-CE2 3.7Å; W933-F1216 HydrophobicContact CH2-CB 3.7Å; W933-F1216 HydrophobicContact CH2-CG 4.46Å; W933-F1216 HydrophobicContact CZ2-CB 3.64Å; W933-F1216 HydrophobicContact CZ2-CD2 4.15Å; W933-F1216 HydrophobicContact CZ2-CG 4.36Å; W933-F1216 HydrophobicContact CZ3-CB 4.01Å; W933-F1216 HydrophobicContact CZ3-CD2 4.33Å; W933-F1216 HydrophobicContact CZ3-CG 4.36Å; W933-F1216 AromaticContact NE1-CD2 3.69Å; L1183-F1216 HydrophobicContact CB-CE1 4.41Å; L1183-F1216 HydrophobicContact CD1-CD1 3.99Å; L1183-F1216 HydrophobicContact CD1-CE1 4.22Å; L1183-F1216 HydrophobicContact CD1-CG 4.12Å; L1183-F1216 HydrophobicContact CD2-CB 4.35Å; L1183-F1216 HydrophobicContact CD2-CD1 3.43Å; L1183-F1216 VanDerWaalsContact CD2-CD1 3.43Å; L1183-F1216 HydrophobicContact CD2-CE1 3.99Å; L1183-F1216 HydrophobicContact CD2-CG 4.1Å; L1183-F1216 HydrophobicContact CG-CD1 4.21Å; L1183-F1216 HydrophobicContact CG-CE1 4.43Å; K1212-F1216 PolarHBondContact O-N 3.37Å; L1213-F1216 WeakPolarHBondContact O-CB 3.45Å; L1213-F1216 PolarHBondContact O-N 3.48Å; L1214-F1216 VanDerWaalsContact C-N 3.33Å; L1214-F1216 PolarHBondContact O-N 2.98Å; F1216-H1218 PolarHBondContact O-N 3.25Å; F1216-S1219 WeakPolarHBondContact CA-OG 3.38Å; F1216-S1219 PolarHBondContact O-N 3.34Å; F1216-S1219 PolarHBondContact O-OG 3.36Å; F1216-H1220 AromaticContact CD2-CE1 3.58Å; F1216-H1220 AromaticContact CD2-ND1 3.69Å; F1216-H1220 AromaticContact CE2-CE1 3.14Å; F1216-H1220 WeakPolarHBondContact CE2-CE1 3.35Å; F1216-H1220 AromaticContact CE2-ND1 3.53Å; F1216-H1220 AromaticContact CE2-NE2 3.62Å; F1216-H1220 AromaticContact CZ-CD2 3.94Å; F1216-H1220 AromaticContact CZ-CE1 3.59Å; F1216-H1220 AromaticContact CZ-CG 3.94Å; F1216-H1220 AromaticContact CZ-ND1 3.71Å; F1216-H1220 AromaticContact CZ-NE2 3.73Å; F1216-H1220 PolarHBondContact O-N 3.48Å; F1216-H1220 VanDerWaalsContact O-N 3.12Å; F1216-H1220 PolarHBondContact O-ND1 3.26Å |
| 1217 | C | 86.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | -179.8 | -70 | 0 | 0 | 0 | 0 | 111.6 | N1186 I1194 L1213 L1214 H1220 S1221 | N1186-C1217 VanDerWaalsContact CG-SG 3.53Å; N1186-C1217 PolarHBondContact OD1-SG 3.04Å; I1194-C1217 HydrophobicContact CD1-CB 4.17Å; I1194-C1217 HydrophobicContact CG1-CB 3.75Å; L1213-C1217 PolarHBondContact O-N 3.16Å; L1213-C1217 PolarHBondContact O-SG 3.03Å; L1213-C1217 VanDerWaalsContact O-SG 3.34Å; L1214-C1217 PolarHBondContact O-N 3.42Å; C1217-H1220 PolarHBondContact O-N 3.34Å; C1217-S1221 VanDerWaalsContact O-CB 3.25Å; C1217-S1221 WeakPolarHBondContact O-CB 3.31Å; C1217-S1221 PolarHBondContact O-N 3.01Å; C1217-S1221 PolarHBondContact O-OG 3.39Å |
| 1218 | H | 84.5 | Confident | 81.1 | Confident | 91 Ų | 91 | 67.3 Ų | 67.3 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 179.9 | -71.9 | -49.7 | 0 | 0 | 0 | 112.6 | L1214 F1216 H1220 S1221 | L1214-H1218 WeakPolarHBondContact O-CB 3.2Å; L1214-H1218 PolarHBondContact O-CD2 3.18Å; L1214-H1218 PolarHBondContact O-N 3.4Å; F1216-H1218 PolarHBondContact O-N 3.25Å; H1218-H1220 VanDerWaalsContact C-N 3.32Å; H1218-H1220 PolarHBondContact O-N 3.4Å; H1218-S1221 WeakPolarHBondContact CA-OG 3.03Å; H1218-S1221 PolarHBondContact O-N 3.18Å; H1218-S1221 PolarHBondContact O-OG 2.69Å |
| 1219 | S | 77.7 | Confident | 80.7 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 48% | 0.476 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.9 | -26.8 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | E1215 F1216 | E1215-S1219 WeakPolarHBondContact O-CB 2.99Å; E1215-S1219 PolarHBondContact O-N 3.1Å; E1215-S1219 PolarHBondContact O-OG 3.46Å; F1216-S1219 WeakPolarHBondContact CA-OG 3.38Å; F1216-S1219 PolarHBondContact O-N 3.34Å; F1216-S1219 PolarHBondContact O-OG 3.36Å |
| 1220 | H | 70.1 | Confident | 80.1 | Confident | 107 Ų | 107 | 65.4 Ų | 65.4 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -100.7 | -10.3 | 177.8 | -70.7 | 70.8 | 0 | 0 | 0 | 113.7 | F1216 C1217 H1218 | F1216-H1220 AromaticContact CD2-CE1 3.58Å; F1216-H1220 AromaticContact CD2-ND1 3.69Å; F1216-H1220 AromaticContact CE2-CE1 3.14Å; F1216-H1220 WeakPolarHBondContact CE2-CE1 3.35Å; F1216-H1220 AromaticContact CE2-ND1 3.53Å; F1216-H1220 AromaticContact CE2-NE2 3.62Å; F1216-H1220 AromaticContact CZ-CD2 3.94Å; F1216-H1220 AromaticContact CZ-CE1 3.59Å; F1216-H1220 AromaticContact CZ-CG 3.94Å; F1216-H1220 AromaticContact CZ-ND1 3.71Å; F1216-H1220 AromaticContact CZ-NE2 3.73Å; F1216-H1220 PolarHBondContact O-N 3.48Å; F1216-H1220 VanDerWaalsContact O-N 3.12Å; F1216-H1220 PolarHBondContact O-ND1 3.26Å; C1217-H1220 PolarHBondContact O-N 3.34Å; H1218-H1220 VanDerWaalsContact C-N 3.32Å; H1218-H1220 PolarHBondContact O-N 3.4Å |
| 1221 | S | 56.2 | Low | 79.3 | Confident | 67 Ų | 67 | 70.8 Ų | 70.8 | 47% | 0.469 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -78 | -24.3 | 171.8 | 69.2 | 0 | 0 | 0 | 0 | 113 | C1217 H1218 | C1217-S1221 VanDerWaalsContact O-CB 3.25Å; C1217-S1221 WeakPolarHBondContact O-CB 3.31Å; C1217-S1221 PolarHBondContact O-N 3.01Å; C1217-S1221 PolarHBondContact O-OG 3.39Å; H1218-S1221 WeakPolarHBondContact CA-OG 3.03Å; H1218-S1221 PolarHBondContact O-N 3.18Å; H1218-S1221 PolarHBondContact O-OG 2.69Å |
| 1222 | Q | 40.9 | Very low | 78.4 | Confident | 223 Ų | 223 | 72.3 Ų | 72.3 | 100% | 1.042 | 36% | 0.363 | S | S | * | . | trans | -86.3 | 0 | 171.4 | -68.5 | -168.4 | -6.8 | 0 | 0 | 110.6 |
Retrieved 1,222 of 1,222 residues in 359.3 ms
(Link to these results)