| 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 | 45.8 | Very low | 75 | Confident | 207 Ų | 207 | 97.7 Ų | 97.7 | 100% | 1.02 | 48% | 0.483 | S | S | * | . | 0 | -27.5 | 0 | -76.2 | -59.6 | -164.7 | 0 | 0 | 112.5 | C3 S4 | M1-C3 VanDerWaalsContact C-N 3.3Å; M1-C3 PolarHBondContact O-N 2.71Å; M1-C3 VanDerWaalsContact O-N 3.13Å; M1-S4 PolarHBondContact O-N 2.87Å | |||
| 2 | D | 57.6 | Low | 76.2 | Confident | 87 Ų | 87 | 89.6 Ų | 89.6 | 47% | 0.465 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -13.1 | -156.8 | -46.4 | -70.1 | 0 | 0 | 0 | 115.9 | S4 K5 R6 | D2-S4 PolarHBondContact O-N 3.05Å; D2-K5 PolarHBondContact O-N 2.82Å; D2-K5 VanDerWaalsContact O-N 3.1Å; D2-R6 PolarHBondContact O-N 2.82Å |
| 3 | C | 64.4 | Low | 77 | Confident | 105 Ų | 105 | 83.2 Ų | 83.2 | 71% | 0.709 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57 | -31.5 | 174.2 | -52.4 | 0 | 0 | 0 | 0 | 112 | M1 R7 | M1-C3 VanDerWaalsContact C-N 3.3Å; M1-C3 PolarHBondContact O-N 2.71Å; M1-C3 VanDerWaalsContact O-N 3.13Å; C3-R7 WeakPolarHBondContact O-CB 3Å; C3-R7 PolarHBondContact O-N 3.36Å |
| 4 | S | 74.9 | Confident | 77.6 | Confident | 77 Ų | 77 | 82.9 Ų | 82.9 | 54% | 0.538 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.2 | -48 | 174.1 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | M1 D2 R7 L8 | M1-S4 PolarHBondContact O-N 2.87Å; D2-S4 PolarHBondContact O-N 3.05Å; S4-R7 PolarHBondContact O-N 2.85Å; S4-L8 WeakPolarHBondContact O-CG 3.47Å; S4-L8 PolarHBondContact O-N 3.37Å |
| 5 | K | 77 | Confident | 78.3 | Confident | 115 Ų | 115 | 77.8 Ų | 77.8 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 178.4 | -67.6 | -172.7 | 175.8 | -175 | 0 | 112.1 | D2 L8 A9 | D2-K5 PolarHBondContact O-N 2.82Å; D2-K5 VanDerWaalsContact O-N 3.1Å; K5-L8 PolarHBondContact O-N 3.17Å; K5-A9 PolarHBondContact O-N 2.98Å |
| 6 | R | 80 | Confident | 78.9 | Confident | 159 Ų | 159 | 72.9 Ų | 72.9 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.4 | -40.1 | 174.2 | -90.2 | -175.6 | -92.6 | -177.2 | -8.5 | 112.4 | D2 A9 S10 L36 | D2-R6 PolarHBondContact O-N 2.82Å; R6-A9 PolarHBondContact O-N 2.92Å; R6-S10 PolarHBondContact O-N 3.07Å; R6-L36 HydrophobicContact CG-CD2 3.91Å |
| 7 | R | 83.3 | Confident | 79.3 | Confident | 178 Ų | 178 | 70.1 Ų | 70.1 | 67% | 0.672 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.2 | -41.3 | 174.6 | -173.3 | 177.2 | -173.8 | 177.5 | 4.1 | 112.1 | C3 S4 Q11 | C3-R7 WeakPolarHBondContact O-CB 3Å; C3-R7 PolarHBondContact O-N 3.36Å; S4-R7 PolarHBondContact O-N 2.85Å; R7-Q11 WeakPolarHBondContact O-CB 3.48Å; R7-Q11 VanDerWaalsContact O-CG 3.24Å; R7-Q11 WeakPolarHBondContact O-CG 3.34Å; R7-Q11 PolarHBondContact O-N 2.84Å |
| 8 | L | 84.7 | Confident | 79.5 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 15% | 0.152 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 175.6 | -73.7 | 169.6 | 0 | 0 | 0 | 112.4 | S4 K5 Q11 L12 F27 K30 A32 | S4-L8 WeakPolarHBondContact O-CG 3.47Å; S4-L8 PolarHBondContact O-N 3.37Å; K5-L8 PolarHBondContact O-N 3.17Å; L8-Q11 PolarHBondContact O-N 2.8Å; L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 3.44Å; L8-F27 HydrophobicContact CD2-CD1 4.09Å; L8-K30 HydrophobicContact CD2-CB 4.38Å; L8-K30 HydrophobicContact CD2-CD 4.4Å; L8-A32 HydrophobicContact CB-CB 3.99Å |
| 9 | A | 84.8 | Confident | 79.7 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K5 R6 Q11 L12 C13 L36 | K5-A9 PolarHBondContact O-N 2.98Å; R6-A9 PolarHBondContact O-N 2.92Å; A9-Q11 VanDerWaalsContact C-N 3.34Å; A9-Q11 PolarHBondContact O-N 3.29Å; A9-L12 WeakPolarHBondContact O-CB 3.24Å; A9-L12 PolarHBondContact O-N 3.25Å; A9-L12 VanDerWaalsContact O-N 3.16Å; A9-C13 PolarHBondContact O-N 3.38Å; A9-C13 PolarHBondContact O-SG 3.37Å; A9-C13 VanDerWaalsContact O-SG 3.39Å; A9-L36 HydrophobicContact CB-CB 4.09Å; A9-L36 HydrophobicContact CB-CD2 3.78Å; A9-L36 HydrophobicContact CB-CG 4.21Å |
| 10 | S | 86.1 | Confident | 80.1 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 175 | -166.9 | 0 | 0 | 0 | 0 | 112 | R6 L12 C13 V14 D38 | R6-S10 PolarHBondContact O-N 3.07Å; S10-L12 VanDerWaalsContact C-N 3.35Å; S10-L12 PolarHBondContact O-N 3.27Å; S10-C13 WeakPolarHBondContact O-CB 3.45Å; S10-C13 PolarHBondContact O-N 3.37Å; S10-V14 WeakPolarHBondContact O-CG2 3.41Å; S10-V14 PolarHBondContact O-N 3.19Å; S10-D38 WeakPolarHBondContact CA-OD2 3.41Å; S10-D38 VanDerWaalsContact CB-OD2 3.23Å; S10-D38 WeakPolarHBondContact CB-OD2 3.48Å; S10-D38 PolarHBondContact OG-OD2 3.48Å |
| 11 | Q | 86.6 | Confident | 80.5 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 35% | 0.346 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -36.7 | 170.6 | -76.1 | 177.9 | -21.5 | 0 | 0 | 113 | R7 L8 A9 A15 F27 | R7-Q11 WeakPolarHBondContact O-CB 3.48Å; R7-Q11 VanDerWaalsContact O-CG 3.24Å; R7-Q11 WeakPolarHBondContact O-CG 3.34Å; R7-Q11 PolarHBondContact O-N 2.84Å; L8-Q11 PolarHBondContact O-N 2.8Å; A9-Q11 VanDerWaalsContact C-N 3.34Å; A9-Q11 PolarHBondContact O-N 3.29Å; Q11-A15 WeakPolarHBondContact O-CB 3.41Å; Q11-A15 PolarHBondContact O-N 2.62Å; Q11-F27 HydrophobicContact CB-CD1 4.15Å; Q11-F27 HydrophobicContact CB-CD2 4.33Å; Q11-F27 HydrophobicContact CB-CE1 3.78Å; Q11-F27 HydrophobicContact CB-CE2 3.97Å; Q11-F27 HydrophobicContact CB-CG 4.44Å; Q11-F27 HydrophobicContact CB-CZ 3.71Å; Q11-F27 HydrophobicContact CG-CE1 4.44Å; Q11-F27 HydrophobicContact CG-CZ 4.37Å |
| 12 | L | 89.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 171.5 | 177.1 | 67.6 | 0 | 0 | 0 | 111.2 | L8 A9 S10 V14 A15 V16 V24 F27 L28 A32 P34 A44 L63 | L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 3.44Å; A9-L12 WeakPolarHBondContact O-CB 3.24Å; A9-L12 PolarHBondContact O-N 3.25Å; A9-L12 VanDerWaalsContact O-N 3.16Å; S10-L12 VanDerWaalsContact C-N 3.35Å; S10-L12 PolarHBondContact O-N 3.27Å; L12-V14 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.2Å; L12-A15 PolarHBondContact O-N 3.14Å; L12-V16 HydrophobicContact CD1-CG2 4.34Å; L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 2.93Å; L12-V16 PolarHBondContact O-N 3.15Å; L12-V24 HydrophobicContact CD1-CB 4.31Å; L12-V24 HydrophobicContact CD1-CG1 3.83Å; L12-V24 HydrophobicContact CD1-CG2 4.47Å; L12-F27 HydrophobicContact CB-CB 4.13Å; L12-F27 HydrophobicContact CD1-CB 4.13Å; L12-L28 HydrophobicContact CD1-CD2 4.18Å; L12-L28 HydrophobicContact CD1-CG 3.99Å; L12-L28 HydrophobicContact CD2-CD2 3.83Å; L12-A32 HydrophobicContact CB-CB 4.23Å; L12-A32 HydrophobicContact CD2-CB 4.07Å; L12-P34 HydrophobicContact CD2-CB 4.13Å; L12-A44 HydrophobicContact CD2-CB 3.98Å; L12-A44 HydrophobicContact CG-CB 4.04Å; L12-L63 HydrophobicContact CD1-CD2 4.42Å; L12-L63 HydrophobicContact CD2-CD2 4.28Å |
| 13 | C | 86.3 | Confident | 84 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 176.5 | -72 | 0 | 0 | 0 | 0 | 112.5 | A9 S10 V16 N17 L47 | A9-C13 PolarHBondContact O-N 3.38Å; A9-C13 PolarHBondContact O-SG 3.37Å; A9-C13 VanDerWaalsContact O-SG 3.39Å; S10-C13 WeakPolarHBondContact O-CB 3.45Å; S10-C13 PolarHBondContact O-N 3.37Å; C13-V16 PolarHBondContact O-N 3.26Å; C13-N17 VanDerWaalsContact O-CB 3.31Å; C13-N17 WeakPolarHBondContact O-CB 3.33Å; C13-N17 PolarHBondContact O-N 3.22Å; C13-L47 HydrophobicContact CB-CD1 3.67Å |
| 14 | V | 86.3 | Confident | 85.1 | Confident | 80 Ų | 80 | 54.3 Ų | 54.3 | 49% | 0.485 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 174.2 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | S10 L12 V16 N17 D18 | S10-V14 WeakPolarHBondContact O-CG2 3.41Å; S10-V14 PolarHBondContact O-N 3.19Å; L12-V14 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.2Å; V14-V16 VanDerWaalsContact C-N 3.26Å; V14-V16 PolarHBondContact O-N 3.46Å; V14-N17 WeakPolarHBondContact O-CB 3.37Å; V14-N17 PolarHBondContact O-N 3.03Å; V14-D18 PolarHBondContact O-N 3.19Å |
| 15 | A | 88.4 | Confident | 85.8 | Confident | 6 Ų | 6 | 56 Ų | 56 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -33.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q11 L12 G19 D20 V24 F27 | Q11-A15 WeakPolarHBondContact O-CB 3.41Å; Q11-A15 PolarHBondContact O-N 2.62Å; L12-A15 PolarHBondContact O-N 3.14Å; A15-G19 PolarHBondContact O-N 3.47Å; A15-D20 PolarHBondContact O-N 3.49Å; A15-V24 HydrophobicContact CB-CG2 3.81Å; A15-F27 HydrophobicContact CB-CD2 4Å; A15-F27 HydrophobicContact CB-CE2 4.02Å |
| 16 | V | 87.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.6 | -44.6 | 174.3 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | L12 C13 V14 D18 G19 V24 A44 L47 A48 N56 L63 | L12-V16 HydrophobicContact CD1-CG2 4.34Å; L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 2.93Å; L12-V16 PolarHBondContact O-N 3.15Å; C13-V16 PolarHBondContact O-N 3.26Å; V14-V16 VanDerWaalsContact C-N 3.26Å; V14-V16 PolarHBondContact O-N 3.46Å; V16-D18 VanDerWaalsContact C-N 3.27Å; V16-D18 PolarHBondContact O-N 2.74Å; V16-G19 PolarHBondContact O-N 2.74Å; V16-G19 VanDerWaalsContact O-N 3.08Å; V16-V24 HydrophobicContact CB-CG2 4.44Å; V16-V24 HydrophobicContact CG2-CG1 4.27Å; V16-V24 HydrophobicContact CG2-CG2 3.63Å; V16-A44 HydrophobicContact CG2-CB 4.49Å; V16-L47 HydrophobicContact CG1-CB 4.01Å; V16-A48 HydrophobicContact CG1-CB 3.6Å; V16-N56 PolarHBondContact O-ND2 3.15Å; V16-L63 HydrophobicContact CG1-CD1 4.45Å; V16-L63 HydrophobicContact CG2-CD1 3.97Å |
| 17 | N | 84.6 | Confident | 86.9 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.7 | -45.3 | 176 | 177.1 | 93.6 | 0 | 0 | 0 | 111.5 | C13 V14 G19 K51 Y659 F663 | C13-N17 VanDerWaalsContact O-CB 3.31Å; C13-N17 WeakPolarHBondContact O-CB 3.33Å; C13-N17 PolarHBondContact O-N 3.22Å; V14-N17 WeakPolarHBondContact O-CB 3.37Å; V14-N17 PolarHBondContact O-N 3.03Å; N17-G19 VanDerWaalsContact C-N 3.3Å; N17-G19 PolarHBondContact O-N 2.82Å; N17-K51 PolarHBondContact O-NZ 3.48Å; N17-Y659 PolarHBondContact OD1-OH 3.29Å; N17-F663 VanDerWaalsContact OD1-CD2 3.23Å; N17-F663 WeakPolarHBondContact OD1-CD2 3.41Å; N17-F663 WeakPolarHBondContact OD1-CE2 3.36Å |
| 18 | D | 83.4 | Confident | 87.1 | Confident | 96 Ų | 96 | 40.7 Ų | 40.7 | 51% | 0.513 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -12.8 | -178.3 | -56.9 | -8.4 | 0 | 0 | 0 | 112.7 | V14 V16 | V14-D18 PolarHBondContact O-N 3.19Å; V16-D18 VanDerWaalsContact C-N 3.27Å; V16-D18 PolarHBondContact O-N 2.74Å |
| 19 | G | 83.8 | Confident | 87.2 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 20.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A15 V16 N17 S21 | A15-G19 PolarHBondContact O-N 3.47Å; V16-G19 PolarHBondContact O-N 2.74Å; V16-G19 VanDerWaalsContact O-N 3.08Å; N17-G19 VanDerWaalsContact C-N 3.3Å; N17-G19 PolarHBondContact O-N 2.82Å; G19-S21 PolarHBondContact O-N 3.29Å; G19-S21 VanDerWaalsContact O-N 3.14Å |
| 20 | D | 87.9 | Confident | 87.2 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 31% | 0.31 | 26% | 0.257 | S | S | . | . | trans | -84.1 | 86.4 | 174.9 | -178.1 | 29.2 | 0 | 0 | 0 | 112 | A15 R22 S23 V24 | A15-D20 PolarHBondContact O-N 3.49Å; D20-R22 PolarHBondContact O-N 3.04Å; D20-R22 WeakPolarHBondContact OD1-CB 3.31Å; D20-R22 PolarHBondContact OD1-N 2.95Å; D20-S23 PolarHBondContact O-N 3.45Å; D20-S23 WeakPolarHBondContact OD2-CB 3.37Å; D20-S23 PolarHBondContact OD2-N 2.93Å; D20-S23 PolarHBondContact OD2-OG 2.91Å; D20-V24 WeakPolarHBondContact O-CG2 3.38Å; D20-V24 PolarHBondContact O-N 3.33Å | ||
| 21 | S | 87.4 | Confident | 87.1 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 15% | 0.154 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -49.9 | -22.1 | 171.6 | 60.7 | 0 | 0 | 0 | 0 | 114.9 | G19 Q25 M62 | G19-S21 PolarHBondContact O-N 3.29Å; G19-S21 VanDerWaalsContact O-N 3.14Å; S21-Q25 WeakPolarHBondContact O-CB 3.36Å; S21-Q25 PolarHBondContact O-N 2.95Å; S21-Q25 VanDerWaalsContact O-N 3.13Å; S21-M62 VanDerWaalsContact O-CE 3.26Å; S21-M62 WeakPolarHBondContact O-CE 3.42Å |
| 22 | R | 88.1 | Confident | 87 | Confident | 127 Ų | 127 | 45.4 Ų | 45.4 | 48% | 0.479 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -75.9 | -47 | 175.8 | -68.6 | 171.4 | 147.5 | -160.4 | -11.9 | 111.9 | D20 V24 Q25 L26 V563 M565 | D20-R22 PolarHBondContact O-N 3.04Å; D20-R22 WeakPolarHBondContact OD1-CB 3.31Å; D20-R22 PolarHBondContact OD1-N 2.95Å; R22-V24 VanDerWaalsContact C-N 3.33Å; R22-Q25 PolarHBondContact O-N 3.28Å; R22-L26 WeakPolarHBondContact O-CB 3.17Å; R22-L26 PolarHBondContact O-N 2.76Å; R22-V563 PolarHBondContact NH2-O 3.41Å; R22-M565 VanDerWaalsContact CZ-CG 3.41Å |
| 23 | S | 88.1 | Confident | 86.8 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 174.4 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | D20 Q25 L26 F27 | D20-S23 PolarHBondContact O-N 3.45Å; D20-S23 WeakPolarHBondContact OD2-CB 3.37Å; D20-S23 PolarHBondContact OD2-N 2.93Å; D20-S23 PolarHBondContact OD2-OG 2.91Å; S23-Q25 PolarHBondContact O-N 3.04Å; S23-L26 PolarHBondContact O-N 2.66Å; S23-L26 VanDerWaalsContact O-N 3.15Å; S23-F27 WeakPolarHBondContact O-CD2 3.36Å; S23-F27 WeakPolarHBondContact O-CG 3.16Å; S23-F27 PolarHBondContact O-N 3.22Å |
| 24 | V | 89.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.5 | -49 | 172.1 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | L12 A15 V16 D20 R22 L26 F27 L28 M62 | L12-V24 HydrophobicContact CD1-CB 4.31Å; L12-V24 HydrophobicContact CD1-CG1 3.83Å; L12-V24 HydrophobicContact CD1-CG2 4.47Å; A15-V24 HydrophobicContact CB-CG2 3.81Å; V16-V24 HydrophobicContact CB-CG2 4.44Å; V16-V24 HydrophobicContact CG2-CG1 4.27Å; V16-V24 HydrophobicContact CG2-CG2 3.63Å; D20-V24 WeakPolarHBondContact O-CG2 3.38Å; D20-V24 PolarHBondContact O-N 3.33Å; R22-V24 VanDerWaalsContact C-N 3.33Å; V24-L26 VanDerWaalsContact C-N 3.3Å; V24-L26 PolarHBondContact O-N 2.87Å; V24-F27 PolarHBondContact O-N 2.87Å; V24-L28 HydrophobicContact CG1-CD1 3.78Å; V24-L28 HydrophobicContact CG1-CG 4.49Å; V24-L28 WeakPolarHBondContact O-CG 3.39Å; V24-L28 PolarHBondContact O-N 3.22Å; V24-M62 HydrophobicContact CB-CE 4.06Å; V24-M62 HydrophobicContact CG1-CE 3.79Å |
| 25 | Q | 89.2 | Confident | 86.7 | Confident | 112 Ų | 112 | 48.1 Ų | 48.1 | 52% | 0.523 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 176.8 | -162.7 | 175.8 | 8.3 | 0 | 0 | 112.1 | S21 R22 S23 S29 M62 | S21-Q25 WeakPolarHBondContact O-CB 3.36Å; S21-Q25 PolarHBondContact O-N 2.95Å; S21-Q25 VanDerWaalsContact O-N 3.13Å; R22-Q25 PolarHBondContact O-N 3.28Å; S23-Q25 PolarHBondContact O-N 3.04Å; Q25-S29 WeakPolarHBondContact O-CB 3.41Å; Q25-S29 PolarHBondContact O-N 2.82Å; Q25-S29 PolarHBondContact O-OG 3.33Å; Q25-M62 HydrophobicContact CB-CE 3.61Å; Q25-M62 HydrophobicContact CG-CE 4.26Å |
| 26 | L | 90.4 | Very high | 86.6 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.9 | -29.9 | 179.7 | -177.7 | 62 | 0 | 0 | 0 | 113.3 | R22 S23 V24 S29 K30 | R22-L26 WeakPolarHBondContact O-CB 3.17Å; R22-L26 PolarHBondContact O-N 2.76Å; S23-L26 PolarHBondContact O-N 2.66Å; S23-L26 VanDerWaalsContact O-N 3.15Å; V24-L26 VanDerWaalsContact C-N 3.3Å; V24-L26 PolarHBondContact O-N 2.87Å; L26-S29 WeakPolarHBondContact CA-OG 3.23Å; L26-S29 PolarHBondContact O-OG 2.97Å; L26-K30 VanDerWaalsContact O-CD 3.26Å; L26-K30 WeakPolarHBondContact O-CD 3.41Å; L26-K30 WeakPolarHBondContact O-CG 3.32Å |
| 27 | F | 89.4 | Confident | 86.4 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -82.4 | -40.7 | 175.5 | -66.1 | -54.9 | 0 | 0 | 0 | 111.7 | L8 Q11 L12 A15 S23 V24 S29 K30 G31 A32 | L8-F27 HydrophobicContact CD2-CD1 4.09Å; Q11-F27 HydrophobicContact CB-CD1 4.15Å; Q11-F27 HydrophobicContact CB-CD2 4.33Å; Q11-F27 HydrophobicContact CB-CE1 3.78Å; Q11-F27 HydrophobicContact CB-CE2 3.97Å; Q11-F27 HydrophobicContact CB-CG 4.44Å; Q11-F27 HydrophobicContact CB-CZ 3.71Å; Q11-F27 HydrophobicContact CG-CE1 4.44Å; Q11-F27 HydrophobicContact CG-CZ 4.37Å; L12-F27 HydrophobicContact CB-CB 4.13Å; L12-F27 HydrophobicContact CD1-CB 4.13Å; A15-F27 HydrophobicContact CB-CD2 4Å; A15-F27 HydrophobicContact CB-CE2 4.02Å; S23-F27 WeakPolarHBondContact O-CD2 3.36Å; S23-F27 WeakPolarHBondContact O-CG 3.16Å; S23-F27 PolarHBondContact O-N 3.22Å; V24-F27 PolarHBondContact O-N 2.87Å; F27-S29 PolarHBondContact O-N 3.28Å; F27-K30 WeakPolarHBondContact O-CA 3.44Å; F27-K30 WeakPolarHBondContact O-CB 3.35Å; F27-K30 PolarHBondContact O-N 3.24Å; F27-G31 PolarHBondContact O-N 3.44Å; F27-A32 HydrophobicContact CB-CB 3.99Å; F27-A32 WeakPolarHBondContact O-CB 3.41Å; F27-A32 PolarHBondContact O-N 2.89Å |
| 28 | L | 87.9 | Confident | 86.1 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 174.4 | -66.7 | 168.7 | 0 | 0 | 0 | 111.3 | L12 V24 K30 G31 P34 L63 H66 | L12-L28 HydrophobicContact CD1-CD2 4.18Å; L12-L28 HydrophobicContact CD1-CG 3.99Å; L12-L28 HydrophobicContact CD2-CD2 3.83Å; V24-L28 HydrophobicContact CG1-CD1 3.78Å; V24-L28 HydrophobicContact CG1-CG 4.49Å; V24-L28 WeakPolarHBondContact O-CG 3.39Å; V24-L28 PolarHBondContact O-N 3.22Å; L28-K30 PolarHBondContact O-N 2.86Å; L28-K30 VanDerWaalsContact O-N 3.12Å; L28-G31 PolarHBondContact O-N 3.05Å; L28-P34 HydrophobicContact CD2-CB 4.12Å; L28-P34 HydrophobicContact CD2-CG 4.29Å; L28-L63 HydrophobicContact CD1-CD2 4.21Å; L28-L63 HydrophobicContact CD2-CD2 4.21Å; L28-H66 HydrophobicContact CB-CB 4.44Å; L28-H66 HydrophobicContact CD1-CB 4.07Å; L28-H66 HydrophobicContact CD2-CB 4.14Å; L28-H66 HydrophobicContact CG-CB 4.44Å |
| 29 | S | 86.5 | Confident | 85.7 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 59% | 0.587 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -6.3 | 174.2 | 55.7 | 0 | 0 | 0 | 0 | 115.3 | Q25 L26 F27 | Q25-S29 WeakPolarHBondContact O-CB 3.41Å; Q25-S29 PolarHBondContact O-N 2.82Å; Q25-S29 PolarHBondContact O-OG 3.33Å; L26-S29 WeakPolarHBondContact CA-OG 3.23Å; L26-S29 PolarHBondContact O-OG 2.97Å; F27-S29 PolarHBondContact O-N 3.28Å |
| 30 | K | 85 | Confident | 85.1 | Confident | 116 Ų | 116 | 59 Ų | 59 | 50% | 0.504 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 7.6 | 168.9 | -73.3 | 171.6 | -174.7 | 172.2 | 0 | 113.3 | L8 L26 F27 L28 | L8-K30 HydrophobicContact CD2-CB 4.38Å; L8-K30 HydrophobicContact CD2-CD 4.4Å; L26-K30 VanDerWaalsContact O-CD 3.26Å; L26-K30 WeakPolarHBondContact O-CD 3.41Å; L26-K30 WeakPolarHBondContact O-CG 3.32Å; F27-K30 WeakPolarHBondContact O-CA 3.44Å; F27-K30 WeakPolarHBondContact O-CB 3.35Å; F27-K30 PolarHBondContact O-N 3.24Å; L28-K30 PolarHBondContact O-N 2.86Å; L28-K30 VanDerWaalsContact O-N 3.12Å |
| 31 | G | 82.8 | Confident | 84.8 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 44% | 0.443 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 34.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F27 L28 N33 | F27-G31 PolarHBondContact O-N 3.44Å; L28-G31 PolarHBondContact O-N 3.05Å; G31-N33 PolarHBondContact O-N 3.13Å |
| 32 | A | 86.2 | Confident | 84.7 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | trans | -73.1 | 111.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L8 L12 F27 P34 | L8-A32 HydrophobicContact CB-CB 3.99Å; L12-A32 HydrophobicContact CB-CB 4.23Å; L12-A32 HydrophobicContact CD2-CB 4.07Å; F27-A32 HydrophobicContact CB-CB 3.99Å; F27-A32 WeakPolarHBondContact O-CB 3.41Å; F27-A32 PolarHBondContact O-N 2.89Å; A32-P34 WeakPolarHBondContact O-CD 3.31Å | ||
| 33 | N | 84.8 | Confident | 84.8 | Confident | 87 Ų | 87 | 50 Ų | 50 | 47% | 0.465 | 29% | 0.286 | S | S | . | . | trans | -65.3 | 117.6 | 176.9 | -68.6 | 21.1 | 0 | 0 | 0 | 110.1 | G31 N35 L36 | G31-N33 PolarHBondContact O-N 3.13Å; N33-N35 VanDerWaalsContact C-N 3.32Å; N33-N35 PolarHBondContact O-N 3.1Å; N33-L36 HydrophobicContact CB-CB 4.07Å; N33-L36 PolarHBondContact O-N 2.67Å | ||
| 34 | P | 83.8 | Confident | 84.8 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 8% | 0.078 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -24.9 | -177.8 | 30.1 | -35.3 | 0 | 0 | 0 | 113.4 | L12 L28 A32 L36 A44 L63 S68 | L12-P34 HydrophobicContact CD2-CB 4.13Å; L28-P34 HydrophobicContact CD2-CB 4.12Å; L28-P34 HydrophobicContact CD2-CG 4.29Å; A32-P34 WeakPolarHBondContact O-CD 3.31Å; P34-L36 PolarHBondContact O-N 2.82Å; P34-A44 PolarHBondContact O-N 3.23Å; P34-L63 HydrophobicContact CB-CD2 3.65Å; P34-S68 WeakPolarHBondContact CB-OG 3.36Å; P34-S68 WeakPolarHBondContact CG-OG 3.31Å |
| 35 | N | 85.4 | Confident | 84.8 | Confident | 44 Ų | 44 | 48.1 Ų | 48.1 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -2.5 | 179.9 | -53.5 | -21.6 | 0 | 0 | 0 | 112.2 | N33 V37 G67 S68 D69 V72 | N33-N35 VanDerWaalsContact C-N 3.32Å; N33-N35 PolarHBondContact O-N 3.1Å; N35-V37 PolarHBondContact O-N 3.48Å; N35-G67 PolarHBondContact ND2-O 3.03Å; N35-S68 WeakPolarHBondContact OD1-CA 3.28Å; N35-D69 PolarHBondContact ND2-N 3.15Å; N35-D69 PolarHBondContact ND2-OD2 3.39Å; N35-D69 PolarHBondContact OD1-N 3.3Å; N35-V72 HydrophobicContact CB-CG2 3.69Å |
| 36 | L | 85.9 | Confident | 84.8 | Confident | 59 Ų | 59 | 43 Ų | 43 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | trans | -76.7 | 115.9 | 176.9 | -174.2 | 58.3 | 0 | 0 | 0 | 110 | R6 A9 N33 P34 D38 | R6-L36 HydrophobicContact CG-CD2 3.91Å; A9-L36 HydrophobicContact CB-CB 4.09Å; A9-L36 HydrophobicContact CB-CD2 3.78Å; A9-L36 HydrophobicContact CB-CG 4.21Å; N33-L36 HydrophobicContact CB-CB 4.07Å; N33-L36 PolarHBondContact O-N 2.67Å; P34-L36 PolarHBondContact O-N 2.82Å; L36-D38 PolarHBondContact O-N 2.66Å | ||
| 37 | V | 84.3 | Confident | 84.6 | Confident | 56 Ų | 56 | 39.7 Ų | 39.7 | 34% | 0.339 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -65.1 | 126.1 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | N35 G41 A43 V72 | N35-V37 PolarHBondContact O-N 3.48Å; V37-G41 WeakPolarHBondContact CG1-O 3.5Å; V37-A43 HydrophobicContact CG2-CB 4.11Å; V37-V72 HydrophobicContact CG2-CG1 4.36Å |
| 38 | D | 79.4 | Confident | 84.5 | Confident | 31 Ų | 31 | 38.3 Ų | 38.3 | 17% | 0.166 | 23% | 0.225 | C | C | . | . | trans | -77.4 | 164.1 | 174.7 | -161.5 | -11 | 0 | 0 | 0 | 110.5 | S10 L36 K40 G41 V42 | S10-D38 WeakPolarHBondContact CA-OD2 3.41Å; S10-D38 VanDerWaalsContact CB-OD2 3.23Å; S10-D38 WeakPolarHBondContact CB-OD2 3.48Å; S10-D38 PolarHBondContact OG-OD2 3.48Å; L36-D38 PolarHBondContact O-N 2.66Å; D38-K40 PolarHBondContact O-N 3.24Å; D38-G41 PolarHBondContact O-N 3.33Å; D38-V42 PolarHBondContact N-O 2.98Å | ||
| 39 | S | 74.6 | Confident | 84.5 | Confident | 112 Ų | 112 | 37.7 Ų | 37.7 | 78% | 0.783 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -41.9 | -21.5 | 169.4 | 54.7 | 0 | 0 | 0 | 0 | 116.5 | G41 | S39-G41 VanDerWaalsContact C-N 3.32Š|
| 40 | K | 71.5 | Confident | 84.3 | Confident | 103 Ų | 103 | 34.1 Ų | 34.1 | 45% | 0.448 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -1.5 | 175.4 | -63.7 | -177 | 177.6 | 177.7 | 0 | 114.2 | D38 F663 I667 | D38-K40 PolarHBondContact O-N 3.24Å; K40-F663 HydrophobicContact CD-CE1 3.93Å; K40-F663 HydrophobicContact CD-CZ 3.64Å; K40-F663 VanDerWaalsContact NZ-CE1 3.32Å; K40-F663 VanDerWaalsContact NZ-CZ 3.27Å; K40-I667 HydrophobicContact CB-CD1 4.33Å; K40-I667 HydrophobicContact CD-CD1 4.15Å |
| 41 | G | 81.1 | Confident | 84.1 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 90.3 | -4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V37 D38 S39 S74 S75 | V37-G41 WeakPolarHBondContact CG1-O 3.5Å; D38-G41 PolarHBondContact O-N 3.33Å; S39-G41 VanDerWaalsContact C-N 3.32Å; G41-S74 WeakPolarHBondContact O-CA 3.45Å; G41-S74 PolarHBondContact O-OG 2.87Å; G41-S75 WeakPolarHBondContact CA-OG 3.33Å; G41-S75 PolarHBondContact O-N 3.4Å; G41-S75 PolarHBondContact O-OG 2.94Å |
| 42 | V | 85.9 | Confident | 84 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | trans | -119.3 | 131.9 | -167.4 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | D38 H46 L47 I670 | D38-V42 PolarHBondContact N-O 2.98Å; V42-H46 HydrophobicContact CG1-CB 3.55Å; V42-L47 HydrophobicContact CG1-CD2 3.88Å; V42-L47 HydrophobicContact CG1-CG 3.9Å; V42-I670 HydrophobicContact CG2-CD1 3.92Å | ||
| 43 | A | 88.7 | Confident | 84 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -88.1 | 157.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V37 I45 H46 V72 | V37-A43 HydrophobicContact CG2-CB 4.11Å; A43-I45 VanDerWaalsContact C-N 3.25Å; A43-I45 PolarHBondContact O-N 2.75Å; A43-I45 VanDerWaalsContact O-N 3.09Å; A43-H46 WeakPolarHBondContact O-CB 3.34Å; A43-H46 PolarHBondContact O-N 3.37Å; A43-H46 PolarHBondContact O-ND1 3.05Å; A43-V72 HydrophobicContact CB-CG1 4Å |
| 44 | A | 88.1 | Confident | 83.9 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.9 | -35.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L12 V16 P34 H46 L47 A48 L63 | L12-A44 HydrophobicContact CD2-CB 3.98Å; L12-A44 HydrophobicContact CG-CB 4.04Å; V16-A44 HydrophobicContact CG2-CB 4.49Å; P34-A44 PolarHBondContact O-N 3.23Å; A44-H46 PolarHBondContact O-N 2.62Å; A44-L47 PolarHBondContact O-N 3.18Å; A44-A48 PolarHBondContact O-N 2.95Å; A44-L63 HydrophobicContact CB-CD2 4.31Å |
| 45 | I | 90.6 | Very high | 84 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | 177.8 | -177.4 | 163 | 0 | 0 | 0 | 113.5 | A43 L47 A48 V49 L60 L64 V72 P80 L96 | A43-I45 VanDerWaalsContact C-N 3.25Å; A43-I45 PolarHBondContact O-N 2.75Å; A43-I45 VanDerWaalsContact O-N 3.09Å; I45-L47 PolarHBondContact O-N 3.05Å; I45-A48 WeakPolarHBondContact O-CB 3.4Å; I45-A48 PolarHBondContact O-N 2.93Å; I45-V49 VanDerWaalsContact O-CG2 3.26Å; I45-V49 WeakPolarHBondContact O-CG2 3.11Å; I45-V49 PolarHBondContact O-N 3.44Å; I45-L60 HydrophobicContact CD1-CD1 4.14Å; I45-L60 HydrophobicContact CG1-CD1 3.81Å; I45-L64 HydrophobicContact CD1-CD2 3.86Å; I45-L64 HydrophobicContact CD1-CG 4.47Å; I45-V72 HydrophobicContact CG2-CG2 4.47Å; I45-P80 HydrophobicContact CB-CG 4.4Å; I45-P80 HydrophobicContact CD1-CB 4.46Å; I45-P80 HydrophobicContact CD1-CG 4.16Å; I45-P80 HydrophobicContact CG1-CB 4.14Å; I45-P80 HydrophobicContact CG1-CG 3.91Å; I45-P80 HydrophobicContact CG2-CG 3.75Å; I45-L96 HydrophobicContact CD1-CD2 4.05Å |
| 46 | H | 88.3 | Confident | 84.1 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.023 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 176.9 | -57.9 | 90.5 | 0 | 0 | 0 | 111.6 | V42 A43 A44 A48 V49 G50 V72 L78 P80 | V42-H46 HydrophobicContact CG1-CB 3.55Å; A43-H46 WeakPolarHBondContact O-CB 3.34Å; A43-H46 PolarHBondContact O-N 3.37Å; A43-H46 PolarHBondContact O-ND1 3.05Å; A44-H46 PolarHBondContact O-N 2.62Å; H46-A48 VanDerWaalsContact C-N 3.26Å; H46-A48 PolarHBondContact O-N 3.24Å; H46-V49 PolarHBondContact O-N 2.78Å; H46-V49 VanDerWaalsContact O-N 3.08Å; H46-G50 PolarHBondContact O-N 3.16Å; H46-V72 PolarHBondContact NE2-O 2.71Å; H46-L78 PolarHBondContact NE2-O 3.27Å; H46-P80 WeakPolarHBondContact NE2-CD 3.49Å |
| 47 | L | 86.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.089 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.8 | -28.3 | 176.8 | -62.1 | 176 | 0 | 0 | 0 | 112.6 | C13 V16 V42 A44 I45 V49 F663 | C13-L47 HydrophobicContact CB-CD1 3.67Å; V16-L47 HydrophobicContact CG1-CB 4.01Å; V42-L47 HydrophobicContact CG1-CD2 3.88Å; V42-L47 HydrophobicContact CG1-CG 3.9Å; A44-L47 PolarHBondContact O-N 3.18Å; I45-L47 PolarHBondContact O-N 3.05Å; L47-V49 VanDerWaalsContact C-N 3.31Å; L47-F663 HydrophobicContact CD2-CE2 4.11Å |
| 48 | A | 87.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72 | -28.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V16 A44 I45 H46 L60 L63 | V16-A48 HydrophobicContact CG1-CB 3.6Å; A44-A48 PolarHBondContact O-N 2.95Å; I45-A48 WeakPolarHBondContact O-CB 3.4Å; I45-A48 PolarHBondContact O-N 2.93Å; H46-A48 VanDerWaalsContact C-N 3.26Å; H46-A48 PolarHBondContact O-N 3.24Å; A48-L60 HydrophobicContact CB-CB 3.97Å; A48-L60 HydrophobicContact CB-CD1 4.26Å; A48-L63 HydrophobicContact CB-CD1 3.64Å |
| 49 | V | 87.6 | Confident | 85 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -87.7 | -37.2 | -170.2 | 167.1 | 0 | 0 | 0 | 0 | 113.6 | I45 H46 L47 K51 L60 P80 V83 A84 N92 L96 | I45-V49 VanDerWaalsContact O-CG2 3.26Å; I45-V49 WeakPolarHBondContact O-CG2 3.11Å; I45-V49 PolarHBondContact O-N 3.44Å; H46-V49 PolarHBondContact O-N 2.78Å; H46-V49 VanDerWaalsContact O-N 3.08Å; L47-V49 VanDerWaalsContact C-N 3.31Å; V49-K51 PolarHBondContact O-N 3.32Å; V49-L60 HydrophobicContact CG2-CD1 3.7Å; V49-L60 HydrophobicContact CG2-CD2 3.66Å; V49-L60 HydrophobicContact CG2-CG 4.32Å; V49-P80 WeakPolarHBondContact CG1-O 3.42Å; V49-P80 HydrophobicContact CG2-CB 4.25Å; V49-V83 HydrophobicContact CG1-CB 4.45Å; V49-V83 HydrophobicContact CG1-CG1 4.36Å; V49-A84 HydrophobicContact CG1-CB 3.47Å; V49-A84 VanDerWaalsContact CG1-CB 3.47Å; V49-N92 HydrophobicContact CG1-CB 4.3Å; V49-N92 PolarHBondContact O-ND2 2.89Å; V49-L96 HydrophobicContact CG1-CD1 4.17Å; V49-L96 HydrophobicContact CG2-CD1 3.91Å; V49-L96 HydrophobicContact CG2-CD2 4.3Å; V49-L96 HydrophobicContact CG2-CG 4.39Å |
| 50 | G | 81.2 | Confident | 85.8 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -68 | 21.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | H46 | H46-G50 PolarHBondContact O-N 3.16Š|
| 51 | K | 80.6 | Confident | 86.7 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 17% | 0.174 | 19% | 0.185 | C | C | . | . | trans | -149.4 | 112.2 | 177.8 | -84.2 | -173.8 | 179.1 | 172.8 | 0 | 110.4 | N17 V49 T53 N56 N92 Y659 | N17-K51 PolarHBondContact O-NZ 3.48Å; V49-K51 PolarHBondContact O-N 3.32Å; K51-T53 HydrophobicContact CB-CG2 4.34Å; K51-T53 PolarHBondContact O-N 2.85Å; K51-N56 HydrophobicContact CB-CB 3.71Å; K51-N56 VanDerWaalsContact CB-CG 3.45Å; K51-N56 WeakPolarHBondContact CD-OD1 3.49Å; K51-N56 VanDerWaalsContact O-CB 3.23Å; K51-N56 WeakPolarHBondContact O-CB 3.29Å; K51-N92 PolarHBondContact O-ND2 2.93Å; K51-Y659 HydrophobicContact CD-CE2 4.41Å; K51-Y659 VanDerWaalsContact CE-OH 3.3Å; K51-Y659 WeakPolarHBondContact CE-OH 3.49Å; K51-Y659 PolarHBondContact NZ-OH 2.97Å | ||
| 52 | E | 82.2 | Confident | 87.1 | Confident | 90 Ų | 90 | 39.7 Ų | 39.7 | 42% | 0.421 | 18% | 0.184 | S | C | . | . | trans | -83.1 | 46.5 | 171.6 | -158.5 | 168.2 | -162.2 | 0 | 0 | 112.5 | I57 C89 Q91 | E52-I57 HydrophobicContact CG-CD1 4.35Å; E52-C89 HydrophobicContact CB-CB 4.3Å; E52-Q91 HydrophobicContact CG-CB 4.26Å; E52-Q91 WeakPolarHBondContact OE1-CA 3.49Å; E52-Q91 WeakPolarHBondContact OE1-CB 3.15Å; E52-Q91 PolarHBondContact OE1-N 3.08Å | ||
| 53 | T | 85.1 | Confident | 87.3 | Confident | 60 Ų | 60 | 39.4 Ų | 39.4 | 37% | 0.368 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -95.8 | 149.5 | 173.4 | 83.9 | 0 | 0 | 0 | 0 | 111 | K51 K55 N56 I57 | K51-T53 HydrophobicContact CB-CG2 4.34Å; K51-T53 PolarHBondContact O-N 2.85Å; T53-K55 PolarHBondContact O-N 3.19Å; T53-K55 VanDerWaalsContact O-N 3.08Å; T53-K55 PolarHBondContact OG1-N 2.93Å; T53-N56 PolarHBondContact O-N 3.26Å; T53-N56 PolarHBondContact OG1-N 3.04Å; T53-N56 VanDerWaalsContact OG1-N 3.15Å; T53-N56 PolarHBondContact OG1-OD1 3.37Å; T53-I57 WeakPolarHBondContact O-CG1 3.14Å; T53-I57 PolarHBondContact O-N 3.17Å |
| 54 | E | 83 | Confident | 87.4 | Confident | 179 Ų | 179 | 40.3 Ų | 40.3 | 84% | 0.836 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -53.2 | -33.6 | 176.1 | -63.8 | -171.1 | 152.9 | 0 | 0 | 113.2 | R58 | E54-R58 WeakPolarHBondContact O-CB 3.23Å; E54-R58 PolarHBondContact O-N 3.46Å |
| 55 | K | 86.8 | Confident | 87.5 | Confident | 132 Ų | 132 | 43.8 Ų | 43.8 | 57% | 0.574 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -67.6 | -47.2 | 175.8 | -65.6 | -178.6 | -178.1 | 177.5 | 0 | 111.6 | T53 R58 C59 | T53-K55 PolarHBondContact O-N 3.19Å; T53-K55 VanDerWaalsContact O-N 3.08Å; T53-K55 PolarHBondContact OG1-N 2.93Å; K55-R58 WeakPolarHBondContact O-CB 3.32Å; K55-R58 PolarHBondContact O-N 2.88Å; K55-C59 PolarHBondContact O-N 3.34Å; K55-C59 PolarHBondContact O-SG 2.96Å |
| 56 | N | 86.1 | Confident | 87.2 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.7 | -41.5 | -179.3 | -78.7 | 84.8 | 0 | 0 | 0 | 111.5 | V16 K51 T53 R58 C59 L60 | V16-N56 PolarHBondContact O-ND2 3.15Å; K51-N56 HydrophobicContact CB-CB 3.71Å; K51-N56 VanDerWaalsContact CB-CG 3.45Å; K51-N56 WeakPolarHBondContact CD-OD1 3.49Å; K51-N56 VanDerWaalsContact O-CB 3.23Å; K51-N56 WeakPolarHBondContact O-CB 3.29Å; T53-N56 PolarHBondContact O-N 3.26Å; T53-N56 PolarHBondContact OG1-N 3.04Å; T53-N56 VanDerWaalsContact OG1-N 3.15Å; T53-N56 PolarHBondContact OG1-OD1 3.37Å; N56-R58 PolarHBondContact O-N 3.35Å; N56-C59 CarbonylContact O-C 3.31Å; N56-C59 PolarHBondContact O-N 2.94Å; N56-C59 VanDerWaalsContact O-N 3.09Å; N56-L60 WeakPolarHBondContact O-CB 3.46Å; N56-L60 PolarHBondContact O-N 3.06Å |
| 57 | I | 89.8 | Confident | 87 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56 | -39.7 | 169.7 | -66.5 | 160.4 | 0 | 0 | 0 | 110.8 | E52 T53 K61 Q91 N92 | E52-I57 HydrophobicContact CG-CD1 4.35Å; T53-I57 WeakPolarHBondContact O-CG1 3.14Å; T53-I57 PolarHBondContact O-N 3.17Å; I57-K61 HydrophobicContact CG2-CD 4.33Å; I57-K61 VanDerWaalsContact O-CG 3.3Å; I57-K61 WeakPolarHBondContact O-CG 3.26Å; I57-K61 PolarHBondContact O-N 3.02Å; I57-Q91 HydrophobicContact CD1-CG 4.29Å; I57-N92 VanDerWaalsContact CG1-OD1 3.26Å; I57-N92 WeakPolarHBondContact CG1-OD1 3.38Å |
| 58 | R | 89.2 | Confident | 87.1 | Confident | 148 Ų | 148 | 48.8 Ų | 48.8 | 56% | 0.558 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -67.8 | -42.4 | 175.1 | -172.1 | -178.5 | -175.9 | 92.4 | 8.4 | 112.4 | E54 K55 N56 K61 M62 | E54-R58 WeakPolarHBondContact O-CB 3.23Å; E54-R58 PolarHBondContact O-N 3.46Å; K55-R58 WeakPolarHBondContact O-CB 3.32Å; K55-R58 PolarHBondContact O-N 2.88Å; N56-R58 PolarHBondContact O-N 3.35Å; R58-K61 PolarHBondContact O-N 3.28Å; R58-M62 HydrophobicContact CG-SD 4.43Å; R58-M62 WeakPolarHBondContact O-CG 3.38Å; R58-M62 PolarHBondContact O-N 2.73Å; R58-M62 VanDerWaalsContact O-N 3.09Å |
| 59 | C | 89.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.9 | -63 | 0 | 0 | 0 | 0 | 111.3 | K55 N56 M62 L63 | K55-C59 PolarHBondContact O-N 3.34Å; K55-C59 PolarHBondContact O-SG 2.96Å; N56-C59 CarbonylContact O-C 3.31Å; N56-C59 PolarHBondContact O-N 2.94Å; N56-C59 VanDerWaalsContact O-N 3.09Å; C59-M62 PolarHBondContact O-N 2.88Å; C59-L63 WeakPolarHBondContact O-CB 3.47Å; C59-L63 VanDerWaalsContact O-CG 3.27Å; C59-L63 WeakPolarHBondContact O-CG 3.5Å; C59-L63 PolarHBondContact O-N 3.19Å |
| 60 | L | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 175.9 | -179 | 54.3 | 0 | 0 | 0 | 111.9 | I45 A48 V49 N56 M62 L63 L64 N92 L95 L96 | I45-L60 HydrophobicContact CD1-CD1 4.14Å; I45-L60 HydrophobicContact CG1-CD1 3.81Å; A48-L60 HydrophobicContact CB-CB 3.97Å; A48-L60 HydrophobicContact CB-CD1 4.26Å; V49-L60 HydrophobicContact CG2-CD1 3.7Å; V49-L60 HydrophobicContact CG2-CD2 3.66Å; V49-L60 HydrophobicContact CG2-CG 4.32Å; N56-L60 WeakPolarHBondContact O-CB 3.46Å; N56-L60 PolarHBondContact O-N 3.06Å; L60-M62 VanDerWaalsContact C-N 3.33Å; L60-M62 PolarHBondContact O-N 3.11Å; L60-L63 PolarHBondContact O-N 2.86Å; L60-L64 HydrophobicContact CD1-CD1 4.07Å; L60-L64 HydrophobicContact CD1-CG 4.29Å; L60-L64 HydrophobicContact CG-CD1 4.12Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.18Å; L60-N92 HydrophobicContact CD2-CB 3.83Å; L60-L95 HydrophobicContact CB-CD2 4.4Å; L60-L95 HydrophobicContact CD2-CD2 3.9Å; L60-L95 HydrophobicContact CG-CD2 3.84Å; L60-L96 HydrophobicContact CD1-CD2 4.25Å |
| 61 | K | 91.4 | Very high | 87.5 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.3 | -43.8 | 173.9 | -74.9 | 176.4 | -178.4 | 179.2 | 0 | 112.1 | I57 R58 Q65 L95 | I57-K61 HydrophobicContact CG2-CD 4.33Å; I57-K61 VanDerWaalsContact O-CG 3.3Å; I57-K61 WeakPolarHBondContact O-CG 3.26Å; I57-K61 PolarHBondContact O-N 3.02Å; R58-K61 PolarHBondContact O-N 3.28Å; K61-Q65 WeakPolarHBondContact O-CB 3.37Å; K61-Q65 WeakPolarHBondContact O-CG 3.25Å; K61-Q65 PolarHBondContact O-N 3.09Å; K61-L95 HydrophobicContact CD-CD2 4.35Å; K61-L95 HydrophobicContact CG-CD1 4.2Å; K61-L95 HydrophobicContact CG-CD2 3.48Å; K61-L95 VanDerWaalsContact CG-CD2 3.48Å; K61-L95 HydrophobicContact CG-CG 4.48Å |
| 62 | M | 89.4 | Confident | 88 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69 | -35 | 177.9 | -73.1 | 171.6 | 39 | 0 | 0 | 113.7 | S21 V24 Q25 R58 C59 L60 Q65 H66 | S21-M62 VanDerWaalsContact O-CE 3.26Å; S21-M62 WeakPolarHBondContact O-CE 3.42Å; V24-M62 HydrophobicContact CB-CE 4.06Å; V24-M62 HydrophobicContact CG1-CE 3.79Å; Q25-M62 HydrophobicContact CB-CE 3.61Å; Q25-M62 HydrophobicContact CG-CE 4.26Å; R58-M62 HydrophobicContact CG-SD 4.43Å; R58-M62 WeakPolarHBondContact O-CG 3.38Å; R58-M62 PolarHBondContact O-N 2.73Å; R58-M62 VanDerWaalsContact O-N 3.09Å; C59-M62 PolarHBondContact O-N 2.88Å; L60-M62 VanDerWaalsContact C-N 3.33Å; L60-M62 PolarHBondContact O-N 3.11Å; M62-Q65 PolarHBondContact O-N 3.25Å; M62-H66 PolarHBondContact O-CD2 3.16Å; M62-H66 PolarHBondContact O-N 2.88Å; M62-H66 VanDerWaalsContact O-N 3.08Å |
| 63 | L | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -52.2 | 175.1 | -76 | 165.4 | 0 | 0 | 0 | 109.7 | L12 V16 L28 P34 A44 A48 C59 L60 Q65 H66 S68 | L12-L63 HydrophobicContact CD1-CD2 4.42Å; L12-L63 HydrophobicContact CD2-CD2 4.28Å; V16-L63 HydrophobicContact CG1-CD1 4.45Å; V16-L63 HydrophobicContact CG2-CD1 3.97Å; L28-L63 HydrophobicContact CD1-CD2 4.21Å; L28-L63 HydrophobicContact CD2-CD2 4.21Å; P34-L63 HydrophobicContact CB-CD2 3.65Å; A44-L63 HydrophobicContact CB-CD2 4.31Å; A48-L63 HydrophobicContact CB-CD1 3.64Å; C59-L63 WeakPolarHBondContact O-CB 3.47Å; C59-L63 VanDerWaalsContact O-CG 3.27Å; C59-L63 WeakPolarHBondContact O-CG 3.5Å; C59-L63 PolarHBondContact O-N 3.19Å; L60-L63 PolarHBondContact O-N 2.86Å; L63-Q65 VanDerWaalsContact C-N 3.29Å; L63-Q65 PolarHBondContact O-N 2.84Å; L63-H66 CarbonylContact O-C 3.58Å; L63-H66 PolarHBondContact O-N 2.65Å; L63-S68 WeakPolarHBondContact CA-OG 3.25Å; L63-S68 WeakPolarHBondContact CB-OG 3.18Å; L63-S68 VanDerWaalsContact O-CB 3.25Å; L63-S68 WeakPolarHBondContact O-CB 3.41Å; L63-S68 PolarHBondContact O-N 3.22Å; L63-S68 PolarHBondContact O-OG 2.65Å |
| 64 | L | 90.6 | Very high | 88.5 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 175.6 | -66.5 | 165.5 | 0 | 0 | 0 | 111.6 | I45 L60 H66 G67 P70 L95 N99 | I45-L64 HydrophobicContact CD1-CD2 3.86Å; I45-L64 HydrophobicContact CD1-CG 4.47Å; L60-L64 HydrophobicContact CD1-CD1 4.07Å; L60-L64 HydrophobicContact CD1-CG 4.29Å; L60-L64 HydrophobicContact CG-CD1 4.12Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.18Å; L64-H66 VanDerWaalsContact C-N 3.25Å; L64-H66 PolarHBondContact O-N 3.49Å; L64-G67 PolarHBondContact O-N 2.85Å; L64-G67 VanDerWaalsContact O-N 3.14Å; L64-P70 HydrophobicContact CD2-CB 4.35Å; L64-L95 HydrophobicContact CD1-CD2 4.17Å; L64-L95 HydrophobicContact CD1-CG 3.97Å; L64-N99 HydrophobicContact CD1-CB 4.29Å; L64-N99 HydrophobicContact CD2-CB 4.1Å |
| 65 | Q | 89.4 | Confident | 88.6 | Confident | 74 Ų | 74 | 47 Ų | 47 | 35% | 0.346 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.7 | -26.2 | 173.8 | -77.1 | 172.3 | -20.2 | 0 | 0 | 114.6 | K61 M62 L63 Y148 | K61-Q65 WeakPolarHBondContact O-CB 3.37Å; K61-Q65 WeakPolarHBondContact O-CG 3.25Å; K61-Q65 PolarHBondContact O-N 3.09Å; M62-Q65 PolarHBondContact O-N 3.25Å; L63-Q65 VanDerWaalsContact C-N 3.29Å; L63-Q65 PolarHBondContact O-N 2.84Å; Q65-Y148 HydrophobicContact CB-CG 4.5Å; Q65-Y148 HydrophobicContact CG-CD1 3.86Å; Q65-Y148 HydrophobicContact CG-CD2 3.88Å; Q65-Y148 HydrophobicContact CG-CE1 4.34Å; Q65-Y148 HydrophobicContact CG-CE2 4.35Å; Q65-Y148 HydrophobicContact CG-CG 3.61Å; Q65-Y148 VanDerWaalsContact NE2-CE1 3.32Å |
| 66 | H | 85.7 | Confident | 88.3 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 33% | 0.329 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 25.9 | 176 | -83.1 | -73.3 | 0 | 0 | 0 | 112.8 | L28 M62 L63 L64 | L28-H66 HydrophobicContact CB-CB 4.44Å; L28-H66 HydrophobicContact CD1-CB 4.07Å; L28-H66 HydrophobicContact CD2-CB 4.14Å; L28-H66 HydrophobicContact CG-CB 4.44Å; M62-H66 PolarHBondContact O-CD2 3.16Å; M62-H66 PolarHBondContact O-N 2.88Å; M62-H66 VanDerWaalsContact O-N 3.08Å; L63-H66 CarbonylContact O-C 3.58Å; L63-H66 PolarHBondContact O-N 2.65Å; L64-H66 VanDerWaalsContact C-N 3.25Å; L64-H66 PolarHBondContact O-N 3.49Å |
| 67 | G | 84.4 | Confident | 88.3 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 52% | 0.515 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 36.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N35 L64 | N35-G67 PolarHBondContact ND2-O 3.03Å; L64-G67 PolarHBondContact O-N 2.85Å; L64-G67 VanDerWaalsContact O-N 3.14Å |
| 68 | S | 87.2 | Confident | 88.2 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | trans | -75.3 | 128.2 | 167.8 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | P34 N35 L63 | P34-S68 WeakPolarHBondContact CB-OG 3.36Å; P34-S68 WeakPolarHBondContact CG-OG 3.31Å; N35-S68 WeakPolarHBondContact OD1-CA 3.28Å; L63-S68 WeakPolarHBondContact CA-OG 3.25Å; L63-S68 WeakPolarHBondContact CB-OG 3.18Å; L63-S68 VanDerWaalsContact O-CB 3.25Å; L63-S68 WeakPolarHBondContact O-CB 3.41Å; L63-S68 PolarHBondContact O-N 3.22Å; L63-S68 PolarHBondContact O-OG 2.65Å | ||
| 69 | D | 88.1 | Confident | 88.3 | Confident | 88 Ų | 88 | 34.1 Ų | 34.1 | 47% | 0.471 | 19% | 0.185 | S | C | . | . | trans | -74.7 | 125.7 | 178 | -51.7 | -50 | 0 | 0 | 0 | 108.5 | N35 N71 V72 | N35-D69 PolarHBondContact ND2-N 3.15Å; N35-D69 PolarHBondContact ND2-OD2 3.39Å; N35-D69 PolarHBondContact OD1-N 3.3Å; D69-N71 PolarHBondContact O-N 3.42Å; D69-N71 VanDerWaalsContact O-N 3.08Å; D69-V72 HydrophobicContact CB-CG2 3.88Å; D69-V72 WeakPolarHBondContact O-CG2 2.98Å | ||
| 70 | P | 88.3 | Confident | 88.4 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -5 | 176.2 | 31.3 | -37.6 | 0 | 0 | 0 | 112.8 | L64 P80 L96 G100 | L64-P70 HydrophobicContact CD2-CB 4.35Å; P70-P80 WeakPolarHBondContact O-CD 3.38Å; P70-L96 HydrophobicContact CB-CD2 4.01Å; P70-G100 VanDerWaalsContact CG-C 3.47Å; P70-G100 WeakPolarHBondContact CG-O 3.44Å |
| 71 | N | 89.8 | Confident | 88.5 | Confident | 44 Ų | 44 | 34.1 Ų | 34.1 | 24% | 0.235 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 12.8 | -173.5 | -61.9 | -43.2 | 0 | 0 | 0 | 113.9 | D69 R73 G100 G101 N102 L105 | D69-N71 PolarHBondContact O-N 3.42Å; D69-N71 VanDerWaalsContact O-N 3.08Å; N71-R73 PolarHBondContact O-N 3.32Å; N71-G100 PolarHBondContact ND2-O 2.9Å; N71-G101 WeakPolarHBondContact OD1-CA 3.14Å; N71-N102 PolarHBondContact OD1-N 3.17Å; N71-L105 HydrophobicContact CB-CD1 3.9Å |
| 72 | V | 89.9 | Confident | 88.5 | Confident | 20 Ų | 20 | 29.6 Ų | 29.6 | 12% | 0.121 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -54 | 137.9 | 170.3 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | N35 V37 A43 I45 H46 D69 T79 P80 | N35-V72 HydrophobicContact CB-CG2 3.69Å; V37-V72 HydrophobicContact CG2-CG1 4.36Å; A43-V72 HydrophobicContact CB-CG1 4Å; I45-V72 HydrophobicContact CG2-CG2 4.47Å; H46-V72 PolarHBondContact NE2-O 2.71Å; D69-V72 HydrophobicContact CB-CG2 3.88Å; D69-V72 WeakPolarHBondContact O-CG2 2.98Å; V72-T79 WeakPolarHBondContact O-CA 3.04Å; V72-P80 WeakPolarHBondContact O-CD 3.46Å |
| 73 | R | 89.6 | Confident | 88.5 | Confident | 102 Ų | 102 | 29 Ų | 29 | 39% | 0.385 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -91.2 | 137.4 | 170.2 | -63.8 | 178 | 74.4 | 91.5 | -5.4 | 110.6 | N71 G77 T79 K106 D107 N108 | N71-R73 PolarHBondContact O-N 3.32Å; R73-G77 WeakPolarHBondContact CG-O 3.36Å; R73-G77 PolarHBondContact NE-O 3.48Å; R73-G77 PolarHBondContact NH1-O 3.23Å; R73-T79 HydrophobicContact CG-CG2 4.39Å; R73-K106 PolarHBondContact NH1-O 3.49Å; R73-K106 PolarHBondContact NH2-O 3.14Å; R73-D107 VanDerWaalsContact NH2-C 3.28Å; R73-D107 PolarHBondContact NH2-O 2.82Å; R73-N108 PolarHBondContact NH2-OD1 3.48Å |
| 74 | S | 88.1 | Confident | 88.5 | Confident | 8 Ų | 8 | 29 Ų | 29 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 171.2 | 161.3 | -162 | 0 | 0 | 0 | 0 | 110.4 | G41 D76 G77 L78 | G41-S74 WeakPolarHBondContact O-CA 3.45Å; G41-S74 PolarHBondContact O-OG 2.87Å; S74-D76 PolarHBondContact O-N 2.88Å; S74-G77 PolarHBondContact O-N 2.94Å; S74-L78 WeakPolarHBondContact CB-O 3.44Å; S74-L78 PolarHBondContact N-O 2.84Å |
| 75 | S | 85.6 | Confident | 88.5 | Confident | 68 Ų | 68 | 28.1 Ų | 28.1 | 48% | 0.476 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -39.8 | 169.6 | 34.7 | 0 | 0 | 0 | 0 | 112.4 | G41 G77 N108 | G41-S75 WeakPolarHBondContact CA-OG 3.33Å; G41-S75 PolarHBondContact O-N 3.4Å; G41-S75 PolarHBondContact O-OG 2.94Å; S75-G77 VanDerWaalsContact C-N 3.27Å; S75-G77 PolarHBondContact O-N 3.1Å; S75-N108 PolarHBondContact O-ND2 3.07Å |
| 76 | D | 80.5 | Confident | 88.5 | Confident | 37 Ų | 37 | 25.4 Ų | 25.4 | 20% | 0.198 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 25 | -174.4 | -41.6 | -92.6 | 0 | 0 | 0 | 110.8 | S74 L78 N108 I670 | S74-D76 PolarHBondContact O-N 2.88Å; D76-L78 PolarHBondContact O-N 2.85Å; D76-N108 WeakPolarHBondContact CA-ND2 3.24Å; D76-I670 HydrophobicContact CB-CG2 4.06Å; D76-I670 WeakPolarHBondContact CB-O 3.36Å; D76-I670 WeakPolarHBondContact OD2-CG2 3.3Å |
| 77 | G | 85.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 78.5 | -29.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R73 S74 S75 T79 N108 | R73-G77 WeakPolarHBondContact CG-O 3.36Å; R73-G77 PolarHBondContact NE-O 3.48Å; R73-G77 PolarHBondContact NH1-O 3.23Å; S74-G77 PolarHBondContact O-N 2.94Å; S75-G77 VanDerWaalsContact C-N 3.27Å; S75-G77 PolarHBondContact O-N 3.1Å; G77-T79 PolarHBondContact O-N 3.49Å; G77-N108 WeakPolarHBondContact CA-OD1 3.36Å; G77-N108 PolarHBondContact N-ND2 2.71Å |
| 78 | L | 89.2 | Confident | 88.6 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | trans | -46.7 | 131.9 | 176.6 | -63.8 | 164.6 | 0 | 0 | 0 | 111.6 | H46 S74 D76 H82 D107 L116 I670 | H46-L78 PolarHBondContact NE2-O 3.27Å; S74-L78 WeakPolarHBondContact CB-O 3.44Å; S74-L78 PolarHBondContact N-O 2.84Å; D76-L78 PolarHBondContact O-N 2.85Å; L78-H82 HydrophobicContact CB-CB 4.2Å; L78-H82 HydrophobicContact CD2-CB 3.66Å; L78-D107 HydrophobicContact CD2-CB 3.82Å; L78-D107 HydrophobicContact CG-CB 4.34Å; L78-L116 HydrophobicContact CD2-CD1 3.76Å; L78-I670 HydrophobicContact CD1-CB 4.26Å; L78-I670 HydrophobicContact CD1-CG1 3.85Å; L78-I670 HydrophobicContact CD1-CG2 4.43Å | ||
| 79 | T | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -92.3 | 168.7 | 170.8 | 75.1 | 0 | 0 | 0 | 0 | 111 | V72 R73 G77 L81 H82 V83 L105 | V72-T79 WeakPolarHBondContact O-CA 3.04Å; R73-T79 HydrophobicContact CG-CG2 4.39Å; G77-T79 PolarHBondContact O-N 3.49Å; T79-L81 PolarHBondContact O-N 2.99Å; T79-L81 VanDerWaalsContact O-N 3.08Å; T79-L81 WeakPolarHBondContact OG1-CB 3.31Å; T79-L81 PolarHBondContact OG1-N 3.49Å; T79-H82 PolarHBondContact N-ND1 3.25Å; T79-H82 WeakPolarHBondContact O-CB 3.42Å; T79-H82 PolarHBondContact O-N 3.32Å; T79-H82 PolarHBondContact OG1-ND1 3.17Å; T79-V83 PolarHBondContact O-N 2.83Å; T79-V83 VanDerWaalsContact O-N 3.11Å; T79-L105 HydrophobicContact CG2-CB 4.35Å; T79-L105 HydrophobicContact CG2-CD1 3.98Å | ||
| 80 | P | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -50.3 | -33.6 | 170.1 | -30.8 | 37.1 | 0 | 0 | 0 | 113.1 | I45 H46 V49 P70 V72 V83 A84 L96 | I45-P80 HydrophobicContact CB-CG 4.4Å; I45-P80 HydrophobicContact CD1-CB 4.46Å; I45-P80 HydrophobicContact CD1-CG 4.16Å; I45-P80 HydrophobicContact CG1-CB 4.14Å; I45-P80 HydrophobicContact CG1-CG 3.91Å; I45-P80 HydrophobicContact CG2-CG 3.75Å; H46-P80 WeakPolarHBondContact NE2-CD 3.49Å; V49-P80 WeakPolarHBondContact CG1-O 3.42Å; V49-P80 HydrophobicContact CG2-CB 4.25Å; P70-P80 WeakPolarHBondContact O-CD 3.38Å; V72-P80 WeakPolarHBondContact O-CD 3.46Å; P80-V83 PolarHBondContact O-N 3.04Å; P80-A84 WeakPolarHBondContact O-CB 3.36Å; P80-A84 PolarHBondContact O-N 3.34Å; P80-L96 HydrophobicContact CB-CD1 3.81Å; P80-L96 HydrophobicContact CB-CD2 3.88Å; P80-L96 WeakPolarHBondContact O-CD1 3.35Å |
| 81 | L | 92.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68 | -40.1 | 178.4 | -157.9 | 79.3 | 0 | 0 | 0 | 112.6 | T79 V83 A84 A85 L93 L96 L97 P103 A113 L129 | T79-L81 PolarHBondContact O-N 2.99Å; T79-L81 VanDerWaalsContact O-N 3.08Å; T79-L81 WeakPolarHBondContact OG1-CB 3.31Å; T79-L81 PolarHBondContact OG1-N 3.49Å; L81-V83 VanDerWaalsContact C-N 3.35Å; L81-A84 PolarHBondContact O-N 2.85Å; L81-A85 WeakPolarHBondContact O-CB 3.18Å; L81-A85 PolarHBondContact O-N 2.95Å; L81-L93 HydrophobicContact CD1-CD1 3.57Å; L81-L93 HydrophobicContact CD1-CG 4.46Å; L81-L93 HydrophobicContact CG-CD1 3.8Å; L81-L96 HydrophobicContact CD1-CB 3.8Å; L81-L96 HydrophobicContact CD1-CD1 4.21Å; L81-L97 HydrophobicContact CD1-CD2 3.52Å; L81-L97 HydrophobicContact CD1-CG 3.85Å; L81-L97 HydrophobicContact CD2-CD2 3.8Å; L81-L97 HydrophobicContact CG-CD2 4.31Å; L81-P103 VanDerWaalsContact CD2-CA 3.48Å; L81-P103 HydrophobicContact CD2-CB 4.1Å; L81-A113 HydrophobicContact CB-CB 4.44Å; L81-A113 HydrophobicContact CD2-CB 3.97Å; L81-A113 HydrophobicContact CG-CB 4.11Å; L81-L129 HydrophobicContact CD2-CD2 3.84Å; L81-L129 HydrophobicContact CG-CD2 4.26Å |
| 82 | H | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 174.1 | -64.8 | 72 | 0 | 0 | 0 | 110.6 | L78 T79 A84 A85 L86 L105 D107 N111 A113 L116 | L78-H82 HydrophobicContact CB-CB 4.2Å; L78-H82 HydrophobicContact CD2-CB 3.66Å; T79-H82 PolarHBondContact N-ND1 3.25Å; T79-H82 WeakPolarHBondContact O-CB 3.42Å; T79-H82 PolarHBondContact O-N 3.32Å; T79-H82 PolarHBondContact OG1-ND1 3.17Å; H82-A84 PolarHBondContact O-N 3.44Å; H82-A85 PolarHBondContact O-N 3.37Å; H82-L86 VanDerWaalsContact O-CB 3.31Å; H82-L86 WeakPolarHBondContact O-CB 3.48Å; H82-L86 PolarHBondContact O-N 2.88Å; H82-L105 PolarHBondContact CE1-O 3.33Å; H82-L105 PolarHBondContact NE2-O 3.07Å; H82-L105 VanDerWaalsContact NE2-O 3.15Å; H82-D107 PolarHBondContact NE2-N 2.79Å; H82-N111 PolarHBondContact NE2-O 3.49Å; H82-A113 PolarHBondContact NE2-N 3.13Å; H82-L116 HydrophobicContact CB-CD1 3.96Å |
| 83 | V | 89.4 | Confident | 88.9 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.03 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 175.5 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | V49 T79 P80 L81 W87 | V49-V83 HydrophobicContact CG1-CB 4.45Å; V49-V83 HydrophobicContact CG1-CG1 4.36Å; T79-V83 PolarHBondContact O-N 2.83Å; T79-V83 VanDerWaalsContact O-N 3.11Å; P80-V83 PolarHBondContact O-N 3.04Å; L81-V83 VanDerWaalsContact C-N 3.35Å; V83-W87 WeakPolarHBondContact O-CB 3.43Å; V83-W87 VanDerWaalsContact O-CD1 3.29Å; V83-W87 PolarHBondContact O-N 3.48Å; V83-W87 VanDerWaalsContact O-N 3.15Å |
| 84 | A | 91.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V49 P80 L81 H82 G88 C89 L93 L96 | V49-A84 HydrophobicContact CG1-CB 3.47Å; V49-A84 VanDerWaalsContact CG1-CB 3.47Å; P80-A84 WeakPolarHBondContact O-CB 3.36Å; P80-A84 PolarHBondContact O-N 3.34Å; L81-A84 PolarHBondContact O-N 2.85Å; H82-A84 PolarHBondContact O-N 3.44Å; A84-G88 PolarHBondContact O-N 3.05Å; A84-C89 PolarHBondContact O-N 2.58Å; A84-L93 HydrophobicContact CB-CB 3.83Å; A84-L93 HydrophobicContact CB-CD1 3.59Å; A84-L93 HydrophobicContact CB-CG 4.33Å; A84-L96 HydrophobicContact CB-CD1 4.05Å |
| 85 | A | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68 | -48.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L81 H82 W87 G88 L93 A113 A117 N122 L129 | L81-A85 WeakPolarHBondContact O-CB 3.18Å; L81-A85 PolarHBondContact O-N 2.95Å; H82-A85 PolarHBondContact O-N 3.37Å; A85-W87 VanDerWaalsContact C-N 3.32Å; A85-W87 PolarHBondContact O-N 3.31Å; A85-G88 PolarHBondContact O-N 3.38Å; A85-L93 HydrophobicContact CB-CD1 4.45Å; A85-A113 HydrophobicContact CB-CB 4.17Å; A85-A113 WeakPolarHBondContact CB-O 3.29Å; A85-A117 HydrophobicContact CB-CB 4.05Å; A85-N122 PolarHBondContact O-ND2 3.2Å; A85-L129 HydrophobicContact CB-CD1 4.11Å |
| 86 | L | 88.7 | Confident | 89.3 | Confident | 18 Ų | 18 | 19.7 Ų | 19.7 | 9% | 0.094 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 179.3 | -165.5 | 82.2 | 0 | 0 | 0 | 111.7 | H82 L116 Q120 N122 A669 | H82-L86 VanDerWaalsContact O-CB 3.31Å; H82-L86 WeakPolarHBondContact O-CB 3.48Å; H82-L86 PolarHBondContact O-N 2.88Å; L86-L116 HydrophobicContact CD1-CB 4.38Å; L86-Q120 HydrophobicContact CD1-CG 3.63Å; L86-Q120 HydrophobicContact CG-CG 4.17Å; L86-N122 PolarHBondContact O-ND2 3.38Å; L86-N122 VanDerWaalsContact O-ND2 3.08Å; L86-A669 HydrophobicContact CD2-CB 4.07Å |
| 87 | W | 86.3 | Confident | 89.8 | Confident | 74 Ų | 74 | 18.6 Ų | 18.6 | 28% | 0.28 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 11.3 | 179.8 | -69.2 | 80.5 | 0 | 0 | 0 | 114 | V83 A85 C89 E665 I666 | V83-W87 WeakPolarHBondContact O-CB 3.43Å; V83-W87 VanDerWaalsContact O-CD1 3.29Å; V83-W87 PolarHBondContact O-N 3.48Å; V83-W87 VanDerWaalsContact O-N 3.15Å; A85-W87 VanDerWaalsContact C-N 3.32Å; A85-W87 PolarHBondContact O-N 3.31Å; W87-C89 PolarHBondContact O-N 3.49Å; W87-C89 PolarHBondContact O-SG 3.37Å; W87-E665 HydrophobicContact CH2-CB 4.31Å; W87-I666 HydrophobicContact CH2-CG1 3.86Å; W87-I666 HydrophobicContact CZ2-CB 4.25Å; W87-I666 HydrophobicContact CZ2-CG1 3.41Å; W87-I666 VanDerWaalsContact CZ2-CG1 3.41Å |
| 88 | G | 87.1 | Confident | 89.9 | Confident | 18 Ų | 18 | 24.4 Ų | 24.4 | 19% | 0.186 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 13.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A84 A85 Y90 N122 C125 | A84-G88 PolarHBondContact O-N 3.05Å; A85-G88 PolarHBondContact O-N 3.38Å; G88-Y90 VanDerWaalsContact C-N 3.28Å; G88-Y90 PolarHBondContact O-N 3.29Å; G88-N122 VanDerWaalsContact CA-CG 3.42Å; G88-N122 WeakPolarHBondContact CA-ND2 3.43Å; G88-N122 WeakPolarHBondContact CA-OD1 3.3Å; G88-N122 PolarHBondContact N-ND2 3.4Å; G88-C125 VanDerWaalsContact C-SG 3.54Å |
| 89 | C | 88.7 | Confident | 89.8 | Confident | 8 Ų | 8 | 26.9 Ų | 26.9 | 5% | 0.054 | 13% | 0.129 | C | C | . | . | trans | -79.2 | 67.3 | -167.9 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | E52 A84 W87 Q91 N92 L93 | E52-C89 HydrophobicContact CB-CB 4.3Å; A84-C89 PolarHBondContact O-N 2.58Å; W87-C89 PolarHBondContact O-N 3.49Å; W87-C89 PolarHBondContact O-SG 3.37Å; C89-Q91 PolarHBondContact O-N 2.89Å; C89-N92 HydrophobicContact CB-CB 4.14Å; C89-N92 WeakPolarHBondContact O-CA 3.24Å; C89-N92 WeakPolarHBondContact O-CB 3.47Å; C89-N92 PolarHBondContact O-N 3.38Å; C89-L93 PolarHBondContact O-N 2.92Å | ||
| 90 | Y | 88.8 | Confident | 89.6 | Confident | 83 Ų | 83 | 28.8 Ų | 28.8 | 33% | 0.325 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -49.7 | -44.1 | -170.2 | 177.8 | -98 | 0 | 0 | 0 | 114.8 | G88 N92 L93 K94 K124 L128 | G88-Y90 VanDerWaalsContact C-N 3.28Å; G88-Y90 PolarHBondContact O-N 3.29Å; Y90-N92 VanDerWaalsContact C-N 3.35Å; Y90-N92 PolarHBondContact O-N 3.17Å; Y90-L93 WeakPolarHBondContact O-CB 3.25Å; Y90-L93 PolarHBondContact O-N 3.26Å; Y90-K94 WeakPolarHBondContact O-CB 3.19Å; Y90-K94 PolarHBondContact O-N 3.46Å; Y90-K124 HydrophobicContact CD2-CB 4.13Å; Y90-K124 WeakPolarHBondContact CD2-O 3.36Å; Y90-K124 WeakPolarHBondContact CE2-O 3.45Å; Y90-L128 HydrophobicContact CD2-CD1 4.11Å; Y90-L128 HydrophobicContact CE2-CB 3.96Å; Y90-L128 HydrophobicContact CE2-CD1 3.37Å; Y90-L128 HydrophobicContact CE2-CG 4.26Å |
| 91 | Q | 88.7 | Confident | 89.4 | Confident | 82 Ų | 82 | 29 Ų | 29 | 38% | 0.383 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -73 | -25.8 | -179.8 | -172.5 | 54.3 | 89.1 | 0 | 0 | 113 | E52 I57 C89 L95 | E52-Q91 HydrophobicContact CG-CB 4.26Å; E52-Q91 WeakPolarHBondContact OE1-CA 3.49Å; E52-Q91 WeakPolarHBondContact OE1-CB 3.15Å; E52-Q91 PolarHBondContact OE1-N 3.08Å; I57-Q91 HydrophobicContact CD1-CG 4.29Å; C89-Q91 PolarHBondContact O-N 2.89Å; Q91-L95 WeakPolarHBondContact O-CB 3.36Å; Q91-L95 PolarHBondContact O-N 2.89Å |
| 92 | N | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77.4 | -43.1 | 170.6 | -71.6 | -21.5 | 0 | 0 | 0 | 110.6 | V49 K51 I57 L60 C89 Y90 K94 L95 L96 | V49-N92 HydrophobicContact CG1-CB 4.3Å; V49-N92 PolarHBondContact O-ND2 2.89Å; K51-N92 PolarHBondContact O-ND2 2.93Å; I57-N92 VanDerWaalsContact CG1-OD1 3.26Å; I57-N92 WeakPolarHBondContact CG1-OD1 3.38Å; L60-N92 HydrophobicContact CD2-CB 3.83Å; C89-N92 HydrophobicContact CB-CB 4.14Å; C89-N92 WeakPolarHBondContact O-CA 3.24Å; C89-N92 WeakPolarHBondContact O-CB 3.47Å; C89-N92 PolarHBondContact O-N 3.38Å; Y90-N92 VanDerWaalsContact C-N 3.35Å; Y90-N92 PolarHBondContact O-N 3.17Å; N92-K94 PolarHBondContact O-N 3.47Å; N92-L95 WeakPolarHBondContact O-CB 3.41Å; N92-L95 PolarHBondContact O-N 3.38Å; N92-L95 VanDerWaalsContact O-N 3.13Å; N92-L96 WeakPolarHBondContact O-CG 3.43Å; N92-L96 PolarHBondContact O-N 3.26Å |
| 93 | L | 91.2 | Very high | 89 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.9 | -52.6 | 175.5 | -172 | 70 | 0 | 0 | 0 | 111.3 | L81 A84 A85 C89 Y90 L95 L96 L97 C125 L128 L129 | L81-L93 HydrophobicContact CD1-CD1 3.57Å; L81-L93 HydrophobicContact CD1-CG 4.46Å; L81-L93 HydrophobicContact CG-CD1 3.8Å; A84-L93 HydrophobicContact CB-CB 3.83Å; A84-L93 HydrophobicContact CB-CD1 3.59Å; A84-L93 HydrophobicContact CB-CG 4.33Å; A85-L93 HydrophobicContact CB-CD1 4.45Å; C89-L93 PolarHBondContact O-N 2.92Å; Y90-L93 WeakPolarHBondContact O-CB 3.25Å; Y90-L93 PolarHBondContact O-N 3.26Å; L93-L95 VanDerWaalsContact C-N 3.27Å; L93-L95 PolarHBondContact O-N 2.96Å; L93-L96 PolarHBondContact O-N 2.98Å; L93-L96 VanDerWaalsContact O-N 3.15Å; L93-L97 PolarHBondContact O-N 3.15Å; L93-L97 VanDerWaalsContact O-N 3.14Å; L93-C125 HydrophobicContact CD2-CB 3.46Å; L93-C125 VanDerWaalsContact CD2-CB 3.46Å; L93-L128 HydrophobicContact CD2-CD2 3.88Å; L93-L128 HydrophobicContact CG-CD2 4.04Å; L93-L129 HydrophobicContact CD1-CD1 4.21Å; L93-L129 HydrophobicContact CD1-CD2 4.22Å; L93-L129 HydrophobicContact CD1-CG 4.42Å; L93-L129 HydrophobicContact CD2-CD1 4.1Å; L93-L129 HydrophobicContact CD2-CG 4.13Å |
| 94 | K | 91.2 | Very high | 88.8 | Confident | 63 Ų | 63 | 38.3 Ų | 38.3 | 27% | 0.274 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.8 | -35.8 | 176.4 | -172.4 | 163.7 | -169.8 | 136 | 0 | 112.8 | Y90 N92 M98 L128 | Y90-K94 WeakPolarHBondContact O-CB 3.19Å; Y90-K94 PolarHBondContact O-N 3.46Å; N92-K94 PolarHBondContact O-N 3.47Å; K94-M98 HydrophobicContact CG-SD 4.39Å; K94-M98 WeakPolarHBondContact O-CB 3.24Å; K94-M98 VanDerWaalsContact O-CG 3.23Å; K94-M98 WeakPolarHBondContact O-CG 3.4Å; K94-M98 PolarHBondContact O-N 2.99Å; K94-L128 HydrophobicContact CB-CD1 4.06Å; K94-L128 HydrophobicContact CD-CD1 4.04Å; K94-L128 HydrophobicContact CG-CD1 4.2Å |
| 95 | L | 90.6 | Very high | 88.6 | Confident | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.9 | -37.1 | 177.2 | -178.2 | 66.5 | 0 | 0 | 0 | 112.1 | L60 K61 L64 Q91 N92 L93 N99 | L60-L95 HydrophobicContact CB-CD2 4.4Å; L60-L95 HydrophobicContact CD2-CD2 3.9Å; L60-L95 HydrophobicContact CG-CD2 3.84Å; K61-L95 HydrophobicContact CD-CD2 4.35Å; K61-L95 HydrophobicContact CG-CD1 4.2Å; K61-L95 HydrophobicContact CG-CD2 3.48Å; K61-L95 VanDerWaalsContact CG-CD2 3.48Å; K61-L95 HydrophobicContact CG-CG 4.48Å; L64-L95 HydrophobicContact CD1-CD2 4.17Å; L64-L95 HydrophobicContact CD1-CG 3.97Å; Q91-L95 WeakPolarHBondContact O-CB 3.36Å; Q91-L95 PolarHBondContact O-N 2.89Å; N92-L95 WeakPolarHBondContact O-CB 3.41Å; N92-L95 PolarHBondContact O-N 3.38Å; N92-L95 VanDerWaalsContact O-N 3.13Å; L93-L95 VanDerWaalsContact C-N 3.27Å; L93-L95 PolarHBondContact O-N 2.96Å; L95-N99 PolarHBondContact O-N 3.26Å; L95-N99 PolarHBondContact O-ND2 2.77Å |
| 96 | L | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.5 | -48.4 | 176.7 | -71 | 167.6 | 0 | 0 | 0 | 111.7 | I45 V49 L60 P70 P80 L81 A84 N92 L93 M98 N99 G100 G101 | I45-L96 HydrophobicContact CD1-CD2 4.05Å; V49-L96 HydrophobicContact CG1-CD1 4.17Å; V49-L96 HydrophobicContact CG2-CD1 3.91Å; V49-L96 HydrophobicContact CG2-CD2 4.3Å; V49-L96 HydrophobicContact CG2-CG 4.39Å; L60-L96 HydrophobicContact CD1-CD2 4.25Å; P70-L96 HydrophobicContact CB-CD2 4.01Å; P80-L96 HydrophobicContact CB-CD1 3.81Å; P80-L96 HydrophobicContact CB-CD2 3.88Å; P80-L96 WeakPolarHBondContact O-CD1 3.35Å; L81-L96 HydrophobicContact CD1-CB 3.8Å; L81-L96 HydrophobicContact CD1-CD1 4.21Å; A84-L96 HydrophobicContact CB-CD1 4.05Å; N92-L96 WeakPolarHBondContact O-CG 3.43Å; N92-L96 PolarHBondContact O-N 3.26Å; L93-L96 PolarHBondContact O-N 2.98Å; L93-L96 VanDerWaalsContact O-N 3.15Å; L96-M98 VanDerWaalsContact C-N 3.32Å; L96-M98 PolarHBondContact O-N 3.43Å; L96-N99 CarbonylContact O-C 3.5Å; L96-N99 PolarHBondContact O-N 3.29Å; L96-G100 PolarHBondContact O-N 2.83Å; L96-G101 PolarHBondContact O-N 3.33Å |
| 97 | L | 90.4 | Very high | 88.5 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -44.6 | 177 | -63.1 | 179.3 | 0 | 0 | 0 | 111.4 | L81 L93 N99 G100 G101 L128 L129 Y132 | L81-L97 HydrophobicContact CD1-CD2 3.52Å; L81-L97 HydrophobicContact CD1-CG 3.85Å; L81-L97 HydrophobicContact CD2-CD2 3.8Å; L81-L97 HydrophobicContact CG-CD2 4.31Å; L93-L97 PolarHBondContact O-N 3.15Å; L93-L97 VanDerWaalsContact O-N 3.14Å; L97-N99 PolarHBondContact O-N 3.13Å; L97-G100 PolarHBondContact O-N 2.74Å; L97-G101 WeakPolarHBondContact CD2-O 3.27Å; L97-L128 HydrophobicContact CD1-CD2 3.46Å; L97-L128 VanDerWaalsContact CD1-CD2 3.46Å; L97-L129 HydrophobicContact CD1-CD2 4.17Å; L97-L129 HydrophobicContact CD2-CD2 4.31Å; L97-Y132 HydrophobicContact CB-CD1 3.81Å; L97-Y132 HydrophobicContact CB-CE1 3.66Å; L97-Y132 HydrophobicContact CD1-CD1 3.67Å; L97-Y132 HydrophobicContact CD1-CD2 3.88Å; L97-Y132 HydrophobicContact CD1-CE1 4.06Å; L97-Y132 HydrophobicContact CD1-CE2 4.27Å; L97-Y132 HydrophobicContact CD1-CG 3.55Å; L97-Y132 HydrophobicContact CG-CD1 4.22Å; L97-Y132 HydrophobicContact CG-CE1 4.47Å |
| 98 | M | 88.9 | Confident | 88.5 | Confident | 122 Ų | 122 | 45.8 Ų | 45.8 | 60% | 0.601 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -8.5 | 174.8 | -74.2 | -177 | 71.2 | 0 | 0 | 115.2 | K94 L96 | K94-M98 HydrophobicContact CG-SD 4.39Å; K94-M98 WeakPolarHBondContact O-CB 3.24Å; K94-M98 VanDerWaalsContact O-CG 3.23Å; K94-M98 WeakPolarHBondContact O-CG 3.4Å; K94-M98 PolarHBondContact O-N 2.99Å; L96-M98 VanDerWaalsContact C-N 3.32Å; L96-M98 PolarHBondContact O-N 3.43Å |
| 99 | N | 86.8 | Confident | 88.3 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 14.7 | 176 | -71.6 | -99.6 | 0 | 0 | 0 | 112.7 | L64 L95 L96 L97 | L64-N99 HydrophobicContact CD1-CB 4.29Å; L64-N99 HydrophobicContact CD2-CB 4.1Å; L95-N99 PolarHBondContact O-N 3.26Å; L95-N99 PolarHBondContact O-ND2 2.77Å; L96-N99 CarbonylContact O-C 3.5Å; L96-N99 PolarHBondContact O-N 3.29Å; L97-N99 PolarHBondContact O-N 3.13Å |
| 100 | G | 86.1 | Confident | 88.2 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | 26.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P70 N71 L96 L97 N102 | P70-G100 VanDerWaalsContact CG-C 3.47Å; P70-G100 WeakPolarHBondContact CG-O 3.44Å; N71-G100 PolarHBondContact ND2-O 2.9Å; L96-G100 PolarHBondContact O-N 2.83Å; L97-G100 PolarHBondContact O-N 2.74Å; G100-N102 PolarHBondContact O-OD1 3.46Å |
| 101 | G | 88.3 | Confident | 88.2 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | trans | -69.3 | 126.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N71 L96 L97 P103 | N71-G101 WeakPolarHBondContact OD1-CA 3.14Å; L96-G101 PolarHBondContact O-N 3.33Å; L97-G101 WeakPolarHBondContact CD2-O 3.27Å; G101-P103 WeakPolarHBondContact O-CD 3.4Å | ||
| 102 | N | 87.2 | Confident | 88.2 | Confident | 81 Ų | 81 | 44.2 Ų | 44.2 | 43% | 0.433 | 25% | 0.245 | S | C | . | . | trans | -93.1 | 115.2 | -173.8 | -69.9 | -5.2 | 0 | 0 | 0 | 111.1 | N71 G100 N104 L105 | N71-N102 PolarHBondContact OD1-N 3.17Å; G100-N102 PolarHBondContact O-OD1 3.46Å; N102-N104 VanDerWaalsContact C-N 3.27Å; N102-N104 PolarHBondContact O-N 3.06Å; N102-L105 HydrophobicContact CB-CD1 3.88Å; N102-L105 HydrophobicContact CB-CG 3.85Å | ||
| 103 | P | 87.1 | Confident | 88.1 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23.7 | 179.3 | 28.5 | -34.7 | 0 | 0 | 0 | 113.7 | L81 G101 L105 L129 Q133 | L81-P103 VanDerWaalsContact CD2-CA 3.48Å; L81-P103 HydrophobicContact CD2-CB 4.1Å; G101-P103 WeakPolarHBondContact O-CD 3.4Å; P103-L105 VanDerWaalsContact C-N 3.34Å; P103-L105 PolarHBondContact O-N 3.13Å; P103-L129 HydrophobicContact CB-CD2 3.91Å; P103-Q133 HydrophobicContact CB-CG 4.04Å; P103-Q133 HydrophobicContact CG-CG 3.92Å |
| 104 | N | 86.4 | Confident | 88 | Confident | 100 Ų | 100 | 44.4 Ų | 44.4 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -0.7 | -174.1 | -60.4 | -7.9 | 0 | 0 | 0 | 113.7 | N102 Q133 | N102-N104 VanDerWaalsContact C-N 3.27Å; N102-N104 PolarHBondContact O-N 3.06Å; N104-Q133 WeakPolarHBondContact OD1-CG 3.4Å; N104-Q133 PolarHBondContact OD1-NE2 3.06Å |
| 105 | L | 87.1 | Confident | 87.9 | Confident | 57 Ų | 57 | 45 Ų | 45 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | trans | -69.3 | 138.3 | 167.7 | -68.2 | 174.9 | 0 | 0 | 0 | 108.8 | N71 T79 H82 N102 P103 | N71-L105 HydrophobicContact CB-CD1 3.9Å; T79-L105 HydrophobicContact CG2-CB 4.35Å; T79-L105 HydrophobicContact CG2-CD1 3.98Å; H82-L105 PolarHBondContact CE1-O 3.33Å; H82-L105 PolarHBondContact NE2-O 3.07Å; H82-L105 VanDerWaalsContact NE2-O 3.15Å; N102-L105 HydrophobicContact CB-CD1 3.88Å; N102-L105 HydrophobicContact CB-CG 3.85Å; P103-L105 VanDerWaalsContact C-N 3.34Å; P103-L105 PolarHBondContact O-N 3.13Å | ||
| 106 | K | 88.9 | Confident | 87.7 | Confident | 90 Ų | 90 | 44 Ų | 44 | 39% | 0.391 | 24% | 0.244 | S | C | . | . | B | Isolated β-bridge | trans | -101.7 | 153.8 | 172.7 | -72.8 | 173.8 | 167.2 | -69.9 | 0 | 110.9 | R73 G110 N111 T112 E115 | R73-K106 PolarHBondContact NH1-O 3.49Å; R73-K106 PolarHBondContact NH2-O 3.14Å; K106-G110 WeakPolarHBondContact CD-O 3.42Å; K106-G110 WeakPolarHBondContact CE-O 3.49Å; K106-G110 PolarHBondContact NZ-O 3.17Å; K106-N111 CarbonylContact C-O 3.56Å; K106-N111 WeakPolarHBondContact CA-O 3.49Å; K106-N111 WeakPolarHBondContact CB-O 3.47Å; K106-T112 HydrophobicContact CD-CG2 4.38Å; K106-T112 HydrophobicContact CG-CG2 3.61Å; K106-E115 IonicContact NZ-OE1 2.91Å; K106-E115 IonicContact NZ-OE2 2.93Å; K106-E115 PolarHBondContact NZ-OE2 2.99Å; K106-E115 VanDerWaalsContact NZ-OE2 3.08Å |
| 107 | D | 87.2 | Confident | 87.6 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | trans | -70.1 | -152.2 | 173.2 | 58.9 | 20.2 | 0 | 0 | 0 | 111.8 | R73 L78 H82 E109 G110 N111 | R73-D107 VanDerWaalsContact NH2-C 3.28Å; R73-D107 PolarHBondContact NH2-O 2.82Å; L78-D107 HydrophobicContact CD2-CB 3.82Å; L78-D107 HydrophobicContact CG-CB 4.34Å; H82-D107 PolarHBondContact NE2-N 2.79Å; D107-E109 WeakPolarHBondContact OD1-CA 3.14Å; D107-E109 WeakPolarHBondContact OD1-CB 3.3Å; D107-E109 PolarHBondContact OD1-N 3.48Å; D107-G110 PolarHBondContact OD1-N 2.97Å; D107-N111 PolarHBondContact N-O 3.33Å; D107-N111 PolarHBondContact OD1-N 3.33Å; D107-N111 WeakPolarHBondContact OD2-CB 3.44Å; D107-N111 PolarHBondContact OD2-ND2 3.06Å | ||
| 108 | N | 87 | Confident | 87.4 | Confident | 93 Ų | 93 | 48.4 Ų | 48.4 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -92.4 | -22.4 | 174.7 | -77.2 | -6.2 | 0 | 0 | 0 | 112.2 | R73 S75 D76 G77 | R73-N108 PolarHBondContact NH2-OD1 3.48Å; S75-N108 PolarHBondContact O-ND2 3.07Å; D76-N108 WeakPolarHBondContact CA-ND2 3.24Å; G77-N108 WeakPolarHBondContact CA-OD1 3.36Å; G77-N108 PolarHBondContact N-ND2 2.71Å |
| 109 | E | 83.3 | Confident | 87.3 | Confident | 78 Ų | 78 | 49 Ų | 49 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -80.7 | -20.5 | -179.6 | -66.9 | 61.4 | -144.7 | 0 | 0 | 111.7 | D107 N111 Q673 | D107-E109 WeakPolarHBondContact OD1-CA 3.14Å; D107-E109 WeakPolarHBondContact OD1-CB 3.3Å; D107-E109 PolarHBondContact OD1-N 3.48Å; E109-N111 WeakPolarHBondContact CB-ND2 3.5Å; E109-Q673 HydrophobicContact CG-CB 4.23Å |
| 110 | G | 86.6 | Confident | 87.1 | Confident | 35 Ų | 35 | 51.3 Ų | 51.3 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 105.4 | 4.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K106 D107 | K106-G110 WeakPolarHBondContact CD-O 3.42Å; K106-G110 WeakPolarHBondContact CE-O 3.49Å; K106-G110 PolarHBondContact NZ-O 3.17Å; D107-G110 PolarHBondContact OD1-N 2.97Å |
| 111 | N | 87.8 | Confident | 87.2 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 17% | 0.171 | 28% | 0.283 | C | S | . | . | trans | -88 | 148.5 | 179.1 | -34.1 | -74.8 | 0 | 0 | 0 | 110.9 | H82 K106 D107 E109 E115 L116 | H82-N111 PolarHBondContact NE2-O 3.49Å; K106-N111 CarbonylContact C-O 3.56Å; K106-N111 WeakPolarHBondContact CA-O 3.49Å; K106-N111 WeakPolarHBondContact CB-O 3.47Å; D107-N111 PolarHBondContact N-O 3.33Å; D107-N111 PolarHBondContact OD1-N 3.33Å; D107-N111 WeakPolarHBondContact OD2-CB 3.44Å; D107-N111 PolarHBondContact OD2-ND2 3.06Å; E109-N111 WeakPolarHBondContact CB-ND2 3.5Å; N111-E115 HydrophobicContact CB-CB 4.28Å; N111-L116 HydrophobicContact CB-CD2 3.86Å; N111-L116 HydrophobicContact CB-CG 4Å | ||
| 112 | T | 89.3 | Confident | 87.2 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -88 | 166.5 | 166.8 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | K106 A114 E115 L116 | K106-T112 HydrophobicContact CD-CG2 4.38Å; K106-T112 HydrophobicContact CG-CG2 3.61Å; T112-A114 PolarHBondContact O-N 3.27Å; T112-E115 VanDerWaalsContact CB-OE2 3.31Å; T112-E115 WeakPolarHBondContact CB-OE2 3.48Å; T112-E115 WeakPolarHBondContact CG2-OE2 3.27Å; T112-E115 PolarHBondContact N-OE2 3.21Å; T112-E115 PolarHBondContact O-N 3.24Å; T112-E115 VanDerWaalsContact OG1-CD 3.31Å; T112-E115 WeakPolarHBondContact OG1-CG 3.49Å; T112-E115 PolarHBondContact OG1-N 3.35Å; T112-E115 PolarHBondContact OG1-OE2 3.05Å; T112-L116 PolarHBondContact O-N 3.48Å |
| 113 | A | 88.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.9 | -27.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L81 H82 A85 A117 L129 | L81-A113 HydrophobicContact CB-CB 4.44Å; L81-A113 HydrophobicContact CD2-CB 3.97Å; L81-A113 HydrophobicContact CG-CB 4.11Å; H82-A113 PolarHBondContact NE2-N 3.13Å; A85-A113 HydrophobicContact CB-CB 4.17Å; A85-A113 WeakPolarHBondContact CB-O 3.29Å; A113-A117 PolarHBondContact O-N 3.47Å; A113-A117 VanDerWaalsContact O-N 3.15Å; A113-L129 HydrophobicContact CB-CD1 4Å; A113-L129 HydrophobicContact CB-CD2 4.47Å; A113-L129 WeakPolarHBondContact O-CD1 3.38Å |
| 114 | A | 89.5 | Confident | 87.1 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.5 | -50.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | T112 L116 A117 E118 L129 | T112-A114 PolarHBondContact O-N 3.27Å; A114-L116 VanDerWaalsContact C-N 3.31Å; A114-L116 PolarHBondContact O-N 3.3Å; A114-A117 WeakPolarHBondContact O-CB 3.43Å; A114-A117 PolarHBondContact O-N 2.7Å; A114-E118 PolarHBondContact O-N 2.87Å; A114-E118 VanDerWaalsContact O-N 3.1Å; A114-L129 HydrophobicContact CB-CB 4.03Å; A114-L129 HydrophobicContact CB-CD1 4.48Å |
| 115 | E | 87.6 | Confident | 87.1 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57 | -42.9 | 176.3 | -68.5 | 156.5 | 143 | 0 | 0 | 110.7 | K106 N111 T112 A117 E118 H119 | K106-E115 IonicContact NZ-OE1 2.91Å; K106-E115 IonicContact NZ-OE2 2.93Å; K106-E115 PolarHBondContact NZ-OE2 2.99Å; K106-E115 VanDerWaalsContact NZ-OE2 3.08Å; N111-E115 HydrophobicContact CB-CB 4.28Å; T112-E115 VanDerWaalsContact CB-OE2 3.31Å; T112-E115 WeakPolarHBondContact CB-OE2 3.48Å; T112-E115 WeakPolarHBondContact CG2-OE2 3.27Å; T112-E115 PolarHBondContact N-OE2 3.21Å; T112-E115 PolarHBondContact O-N 3.24Å; T112-E115 VanDerWaalsContact OG1-CD 3.31Å; T112-E115 WeakPolarHBondContact OG1-CG 3.49Å; T112-E115 PolarHBondContact OG1-N 3.35Å; T112-E115 PolarHBondContact OG1-OE2 3.05Å; E115-A117 PolarHBondContact O-N 2.81Å; E115-E118 PolarHBondContact O-N 2.84Å; E115-H119 PolarHBondContact O-CD2 3.23Å; E115-H119 PolarHBondContact O-N 3.44Å |
| 116 | L | 86.2 | Confident | 87.2 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -29.9 | 174.4 | -67.3 | -174.9 | 0 | 0 | 0 | 114.4 | L78 H82 L86 N111 T112 A114 Q120 | L78-L116 HydrophobicContact CD2-CD1 3.76Å; H82-L116 HydrophobicContact CB-CD1 3.96Å; L86-L116 HydrophobicContact CD1-CB 4.38Å; N111-L116 HydrophobicContact CB-CD2 3.86Å; N111-L116 HydrophobicContact CB-CG 4Å; T112-L116 PolarHBondContact O-N 3.48Å; A114-L116 VanDerWaalsContact C-N 3.31Å; A114-L116 PolarHBondContact O-N 3.3Å; L116-Q120 WeakPolarHBondContact O-CG 3.34Å; L116-Q120 PolarHBondContact O-N 3.42Å |
| 117 | A | 88.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.6 | -37.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | A85 A113 A114 E115 Q120 D121 N122 C125 A126 L129 | A85-A117 HydrophobicContact CB-CB 4.05Å; A113-A117 PolarHBondContact O-N 3.47Å; A113-A117 VanDerWaalsContact O-N 3.15Å; A114-A117 WeakPolarHBondContact O-CB 3.43Å; A114-A117 PolarHBondContact O-N 2.7Å; E115-A117 PolarHBondContact O-N 2.81Å; A117-Q120 PolarHBondContact O-N 3.39Å; A117-D121 PolarHBondContact O-N 3.13Å; A117-N122 HydrophobicContact CB-CB 4.38Å; A117-N122 WeakPolarHBondContact O-CA 3.5Å; A117-N122 WeakPolarHBondContact O-CB 3.34Å; A117-N122 PolarHBondContact O-N 3.08Å; A117-C125 HydrophobicContact CB-CB 4.04Å; A117-A126 HydrophobicContact CB-CB 3.88Å; A117-L129 HydrophobicContact CB-CD1 4.49Å |
| 118 | E | 87.4 | Confident | 87.3 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.9 | -42.9 | 177.8 | -66.7 | -176.5 | 173.1 | 0 | 0 | 111.8 | A114 E115 Q120 D121 A126 H130 | A114-E118 PolarHBondContact O-N 2.87Å; A114-E118 VanDerWaalsContact O-N 3.1Å; E115-E118 PolarHBondContact O-N 2.84Å; E118-Q120 PolarHBondContact O-N 2.92Å; E118-Q120 VanDerWaalsContact O-N 3.09Å; E118-D121 PolarHBondContact O-N 3Å; E118-A126 HydrophobicContact CG-CB 3.63Å; E118-H130 IonicContact OE1-CD2 3.23Å; E118-H130 IonicContact OE1-CE1 2.76Å; E118-H130 IonicContact OE1-NE2 3.31Å; E118-H130 PolarHBondContact OE1-NE2 3.27Å |
| 119 | H | 86.4 | Confident | 87.3 | Confident | 134 Ų | 134 | 55.3 Ų | 55.3 | 62% | 0.62 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15.5 | 174.2 | -72.8 | -53.5 | 0 | 0 | 0 | 114.7 | E115 | E115-H119 PolarHBondContact O-CD2 3.23Å; E115-H119 PolarHBondContact O-N 3.44Å |
| 120 | Q | 83.4 | Confident | 87.5 | Confident | 105 Ų | 105 | 55.5 Ų | 55.5 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 15.2 | 175.4 | -60.7 | -61.3 | -48.7 | 0 | 0 | 112.9 | L86 L116 A117 E118 N122 | L86-Q120 HydrophobicContact CD1-CG 3.63Å; L86-Q120 HydrophobicContact CG-CG 4.17Å; L116-Q120 WeakPolarHBondContact O-CG 3.34Å; L116-Q120 PolarHBondContact O-N 3.42Å; A117-Q120 PolarHBondContact O-N 3.39Å; E118-Q120 PolarHBondContact O-N 2.92Å; E118-Q120 VanDerWaalsContact O-N 3.09Å; Q120-N122 WeakPolarHBondContact CB-ND2 3.45Å; Q120-N122 PolarHBondContact O-N 2.89Å |
| 121 | D | 86.9 | Confident | 87.5 | Confident | 110 Ų | 110 | 59 Ų | 59 | 59% | 0.588 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 19.9 | -176.3 | -117.4 | -47 | 0 | 0 | 0 | 114.3 | A117 E118 R123 | A117-D121 PolarHBondContact O-N 3.13Å; E118-D121 PolarHBondContact O-N 3Å; D121-R123 PolarHBondContact O-N 3.07Å; D121-R123 IonicContact OD1-CZ 2.67Å; D121-R123 IonicContact OD1-NE 3.81Å; D121-R123 PolarHBondContact OD1-NE 3.03Å; D121-R123 IonicContact OD1-NH2 3.13Å; D121-R123 PolarHBondContact OD1-NH2 3.16Å |
| 122 | N | 87.7 | Confident | 87.2 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 24% | 0.235 | 29% | 0.288 | C | S | . | . | trans | -78.8 | 55.1 | -178.3 | -78.6 | -45.8 | 0 | 0 | 0 | 111.3 | A85 L86 G88 A117 Q120 K124 C125 A126 | A85-N122 PolarHBondContact O-ND2 3.2Å; L86-N122 PolarHBondContact O-ND2 3.38Å; L86-N122 VanDerWaalsContact O-ND2 3.08Å; G88-N122 VanDerWaalsContact CA-CG 3.42Å; G88-N122 WeakPolarHBondContact CA-ND2 3.43Å; G88-N122 WeakPolarHBondContact CA-OD1 3.3Å; G88-N122 PolarHBondContact N-ND2 3.4Å; A117-N122 HydrophobicContact CB-CB 4.38Å; A117-N122 WeakPolarHBondContact O-CA 3.5Å; A117-N122 WeakPolarHBondContact O-CB 3.34Å; A117-N122 PolarHBondContact O-N 3.08Å; Q120-N122 WeakPolarHBondContact CB-ND2 3.45Å; Q120-N122 PolarHBondContact O-N 2.89Å; N122-K124 PolarHBondContact O-N 2.95Å; N122-C125 HydrophobicContact CB-CB 4.23Å; N122-C125 WeakPolarHBondContact O-CA 3.38Å; N122-C125 WeakPolarHBondContact O-CB 3.37Å; N122-C125 PolarHBondContact O-N 3.21Å; N122-A126 PolarHBondContact O-N 3.42Å; N122-A126 VanDerWaalsContact O-N 3.08Å | ||
| 123 | R | 86.6 | Confident | 86.6 | Confident | 173 Ų | 173 | 62.1 Ų | 62.1 | 65% | 0.653 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -48.6 | -39.6 | -171.4 | -63.9 | 177.8 | -170.5 | -136.1 | -4.9 | 114.1 | D121 C125 A126 S127 | D121-R123 PolarHBondContact O-N 3.07Å; D121-R123 IonicContact OD1-CZ 2.67Å; D121-R123 IonicContact OD1-NE 3.81Å; D121-R123 PolarHBondContact OD1-NE 3.03Å; D121-R123 IonicContact OD1-NH2 3.13Å; D121-R123 PolarHBondContact OD1-NH2 3.16Å; R123-C125 VanDerWaalsContact C-N 3.29Å; R123-C125 PolarHBondContact O-N 3.29Å; R123-A126 PolarHBondContact O-N 3.25Å; R123-S127 WeakPolarHBondContact O-CB 3.23Å; R123-S127 PolarHBondContact O-N 2.98Å; R123-S127 PolarHBondContact O-OG 3.43Å; R123-S127 VanDerWaalsContact O-OG 3.06Å |
| 124 | K | 86.4 | Confident | 85.8 | Confident | 165 Ų | 165 | 66.2 Ų | 66.2 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.5 | -31.9 | 177 | -66 | 179.9 | -179.1 | 174.5 | 0 | 113.5 | Y90 N122 L128 | Y90-K124 HydrophobicContact CD2-CB 4.13Å; Y90-K124 WeakPolarHBondContact CD2-O 3.36Å; Y90-K124 WeakPolarHBondContact CE2-O 3.45Å; N122-K124 PolarHBondContact O-N 2.95Å; K124-L128 WeakPolarHBondContact O-CB 3.36Å |
| 125 | C | 87.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -79.3 | -42.6 | 174.8 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | G88 L93 A117 N122 R123 L128 L129 | G88-C125 VanDerWaalsContact C-SG 3.54Å; L93-C125 HydrophobicContact CD2-CB 3.46Å; L93-C125 VanDerWaalsContact CD2-CB 3.46Å; A117-C125 HydrophobicContact CB-CB 4.04Å; N122-C125 HydrophobicContact CB-CB 4.23Å; N122-C125 WeakPolarHBondContact O-CA 3.38Å; N122-C125 WeakPolarHBondContact O-CB 3.37Å; N122-C125 PolarHBondContact O-N 3.21Å; R123-C125 VanDerWaalsContact C-N 3.29Å; R123-C125 PolarHBondContact O-N 3.29Å; C125-L128 PolarHBondContact O-N 2.88Å; C125-L129 WeakPolarHBondContact O-CG 3.37Å; C125-L129 PolarHBondContact O-N 3.32Å |
| 126 | A | 88.6 | Confident | 83.1 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.9 | -52.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A117 E118 N122 R123 L128 L129 H130 | A117-A126 HydrophobicContact CB-CB 3.88Å; E118-A126 HydrophobicContact CG-CB 3.63Å; N122-A126 PolarHBondContact O-N 3.42Å; N122-A126 VanDerWaalsContact O-N 3.08Å; R123-A126 PolarHBondContact O-N 3.25Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 3.29Å; A126-L129 PolarHBondContact O-N 2.93Å; A126-H130 PolarHBondContact O-CD2 3.21Å; A126-H130 PolarHBondContact O-N 3.46Å |
| 127 | S | 88.7 | Confident | 81.5 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 178.4 | -58.8 | 0 | 0 | 0 | 0 | 113 | R123 E131 | R123-S127 WeakPolarHBondContact O-CB 3.23Å; R123-S127 PolarHBondContact O-N 2.98Å; R123-S127 PolarHBondContact O-OG 3.43Å; R123-S127 VanDerWaalsContact O-OG 3.06Å; S127-E131 WeakPolarHBondContact O-CB 3.5Å; S127-E131 PolarHBondContact O-N 3.04Å |
| 128 | L | 89.4 | Confident | 79.4 | Confident | 3 Ų | 3 | 80.4 Ų | 80.4 | 2% | 0.016 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -71.4 | -30.4 | 177.3 | 175.4 | 147.7 | 0 | 0 | 0 | 112.4 | Y90 L93 K94 L97 K124 C125 A126 Y132 | Y90-L128 HydrophobicContact CD2-CD1 4.11Å; Y90-L128 HydrophobicContact CE2-CB 3.96Å; Y90-L128 HydrophobicContact CE2-CD1 3.37Å; Y90-L128 HydrophobicContact CE2-CG 4.26Å; L93-L128 HydrophobicContact CD2-CD2 3.88Å; L93-L128 HydrophobicContact CG-CD2 4.04Å; K94-L128 HydrophobicContact CB-CD1 4.06Å; K94-L128 HydrophobicContact CD-CD1 4.04Å; K94-L128 HydrophobicContact CG-CD1 4.2Å; L97-L128 HydrophobicContact CD1-CD2 3.46Å; L97-L128 VanDerWaalsContact CD1-CD2 3.46Å; K124-L128 WeakPolarHBondContact O-CB 3.36Å; C125-L128 PolarHBondContact O-N 2.88Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 3.29Å; L128-Y132 HydrophobicContact CD2-CD2 4.49Å; L128-Y132 HydrophobicContact CG-CD2 4.32Å; L128-Y132 HydrophobicContact CG-CE2 4.34Å; L128-Y132 VanDerWaalsContact O-CD2 3.23Å; L128-Y132 WeakPolarHBondContact O-CD2 3.39Å; L128-Y132 PolarHBondContact O-N 3.46Å |
| 129 | L | 87.9 | Confident | 77.1 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -72.8 | -42.4 | 174 | -74.1 | 163 | 0 | 0 | 0 | 111.3 | L81 A85 L93 L97 P103 A113 A114 A117 C125 A126 E131 Y132 Q133 | L81-L129 HydrophobicContact CD2-CD2 3.84Å; L81-L129 HydrophobicContact CG-CD2 4.26Å; A85-L129 HydrophobicContact CB-CD1 4.11Å; L93-L129 HydrophobicContact CD1-CD1 4.21Å; L93-L129 HydrophobicContact CD1-CD2 4.22Å; L93-L129 HydrophobicContact CD1-CG 4.42Å; L93-L129 HydrophobicContact CD2-CD1 4.1Å; L93-L129 HydrophobicContact CD2-CG 4.13Å; L97-L129 HydrophobicContact CD1-CD2 4.17Å; L97-L129 HydrophobicContact CD2-CD2 4.31Å; P103-L129 HydrophobicContact CB-CD2 3.91Å; A113-L129 HydrophobicContact CB-CD1 4Å; A113-L129 HydrophobicContact CB-CD2 4.47Å; A113-L129 WeakPolarHBondContact O-CD1 3.38Å; A114-L129 HydrophobicContact CB-CB 4.03Å; A114-L129 HydrophobicContact CB-CD1 4.48Å; A117-L129 HydrophobicContact CB-CD1 4.49Å; C125-L129 WeakPolarHBondContact O-CG 3.37Å; C125-L129 PolarHBondContact O-N 3.32Å; A126-L129 PolarHBondContact O-N 2.93Å; L129-E131 PolarHBondContact O-N 2.8Å; L129-Y132 CarbonylContact O-C 3.6Å; L129-Y132 PolarHBondContact O-N 3.32Å; L129-Q133 WeakPolarHBondContact O-CG 3.34Å; L129-Q133 PolarHBondContact O-N 2.68Å |
| 130 | H | 86.7 | Confident | 75.3 | Confident | 81 Ų | 81 | 86.7 Ų | 86.7 | 38% | 0.375 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 172.3 | -69.6 | -56.7 | 0 | 0 | 0 | 112.4 | E118 A126 Y132 Q133 S134 | E118-H130 IonicContact OE1-CD2 3.23Å; E118-H130 IonicContact OE1-CE1 2.76Å; E118-H130 IonicContact OE1-NE2 3.31Å; E118-H130 PolarHBondContact OE1-NE2 3.27Å; A126-H130 PolarHBondContact O-CD2 3.21Å; A126-H130 PolarHBondContact O-N 3.46Å; H130-Y132 VanDerWaalsContact C-N 3.31Å; H130-Y132 PolarHBondContact O-N 3.22Å; H130-Q133 PolarHBondContact O-N 2.89Å; H130-S134 PolarHBondContact O-N 3.47Å; H130-S134 PolarHBondContact O-OG 3.18Å; H130-S134 VanDerWaalsContact O-OG 3.12Å |
| 131 | E | 86.4 | Confident | 73.3 | Confident | 110 Ų | 110 | 89.2 Ų | 89.2 | 51% | 0.514 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.2 | -38.6 | 173.3 | -175.2 | -170.3 | 173 | 0 | 0 | 112.1 | S127 L129 S134 S135 | S127-E131 WeakPolarHBondContact O-CB 3.5Å; S127-E131 PolarHBondContact O-N 3.04Å; L129-E131 PolarHBondContact O-N 2.8Å; E131-S134 PolarHBondContact O-OG 3.04Å; E131-S135 PolarHBondContact O-N 3.34Å; E131-S135 PolarHBondContact O-OG 3.03Å |
| 132 | Y | 82.1 | Confident | 71.5 | Confident | 71 Ų | 71 | 91.5 Ų | 91.5 | 28% | 0.278 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -82.9 | -15.1 | 177.4 | -86.7 | -111.9 | 0 | 0 | 0 | 113.8 | L97 L128 L129 H130 | L97-Y132 HydrophobicContact CB-CD1 3.81Å; L97-Y132 HydrophobicContact CB-CE1 3.66Å; L97-Y132 HydrophobicContact CD1-CD1 3.67Å; L97-Y132 HydrophobicContact CD1-CD2 3.88Å; L97-Y132 HydrophobicContact CD1-CE1 4.06Å; L97-Y132 HydrophobicContact CD1-CE2 4.27Å; L97-Y132 HydrophobicContact CD1-CG 3.55Å; L97-Y132 HydrophobicContact CG-CD1 4.22Å; L97-Y132 HydrophobicContact CG-CE1 4.47Å; L128-Y132 HydrophobicContact CD2-CD2 4.49Å; L128-Y132 HydrophobicContact CG-CD2 4.32Å; L128-Y132 HydrophobicContact CG-CE2 4.34Å; L128-Y132 VanDerWaalsContact O-CD2 3.23Å; L128-Y132 WeakPolarHBondContact O-CD2 3.39Å; L128-Y132 PolarHBondContact O-N 3.46Å; L129-Y132 CarbonylContact O-C 3.6Å; L129-Y132 PolarHBondContact O-N 3.32Å; H130-Y132 VanDerWaalsContact C-N 3.31Å; H130-Y132 PolarHBondContact O-N 3.22Å |
| 133 | Q | 77.1 | Confident | 68.9 | Low | 40 Ų | 40 | 97.7 Ų | 97.7 | 19% | 0.187 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -83.9 | -48.7 | 172.4 | -75.7 | 175.5 | -41.1 | 0 | 0 | 110.8 | P103 N104 L129 H130 S135 A136 | P103-Q133 HydrophobicContact CB-CG 4.04Å; P103-Q133 HydrophobicContact CG-CG 3.92Å; N104-Q133 WeakPolarHBondContact OD1-CG 3.4Å; N104-Q133 PolarHBondContact OD1-NE2 3.06Å; L129-Q133 WeakPolarHBondContact O-CG 3.34Å; L129-Q133 PolarHBondContact O-N 2.68Å; H130-Q133 PolarHBondContact O-N 2.89Å; Q133-S135 PolarHBondContact O-N 3.18Å; Q133-A136 WeakPolarHBondContact O-CB 2.96Å; Q133-A136 PolarHBondContact O-N 3.37Å |
| 134 | S | 71.3 | Confident | 66.3 | Low | 85 Ų | 85 | 94.3 Ų | 94.3 | 59% | 0.594 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.7 | -20.2 | 179.4 | 61.8 | 0 | 0 | 0 | 0 | 114.2 | H130 E131 | H130-S134 PolarHBondContact O-N 3.47Å; H130-S134 PolarHBondContact O-OG 3.18Å; H130-S134 VanDerWaalsContact O-OG 3.12Å; E131-S134 PolarHBondContact O-OG 3.04Å |
| 135 | S | 62.6 | Low | 63.9 | Low | 66 Ų | 66 | 94.9 Ų | 94.9 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 0.1 | 172.8 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | E131 Q133 | E131-S135 PolarHBondContact O-N 3.34Å; E131-S135 PolarHBondContact O-OG 3.03Å; Q133-S135 PolarHBondContact O-N 3.18Å |
| 136 | A | 57 | Low | 61.6 | Low | 57 Ų | 57 | 102.3 Ų | 102.3 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -18.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q133 T138 | Q133-A136 WeakPolarHBondContact O-CB 2.96Å; Q133-A136 PolarHBondContact O-N 3.37Å; A136-T138 VanDerWaalsContact C-N 3.29Å; A136-T138 PolarHBondContact O-N 3.33Å |
| 137 | D | 52.3 | Low | 59 | Low | 146 Ų | 146 | 109.2 Ų | 109.2 | 78% | 0.781 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -80.5 | -4.9 | -179.2 | -70.7 | -32.3 | 0 | 0 | 0 | 113.7 | ||
| 138 | T | 44.9 | Very low | 56.7 | Low | 108 Ų | 108 | 111.9 Ų | 111.9 | 66% | 0.663 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -105.3 | 81.6 | -177.7 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | A136 | A136-T138 VanDerWaalsContact C-N 3.29Å; A136-T138 PolarHBondContact O-N 3.33Å |
| 139 | E | 38.7 | Very low | 54 | Low | 175 Ų | 175 | 115.8 Ų | 115.8 | 82% | 0.818 | 59% | 0.591 | S | S | * | * | trans | 65.6 | 140.6 | 163.9 | -54.6 | -165.5 | 156 | 0 | 0 | 119 | E141 | E139-E141 PolarHBondContact O-N 3.18Å; E139-E141 VanDerWaalsContact O-N 3.12Å | ||
| 140 | E | 50.3 | Low | 51.6 | Low | 199 Ų | 199 | 120.2 Ų | 120.2 | 93% | 0.93 | 62% | 0.617 | S | S | * | * | trans | -81.5 | 76.7 | -177.8 | -65.2 | -173 | 130 | 0 | 0 | 112.8 | ||||
| 141 | E | 41 | Very low | 49.2 | Very low | 158 Ų | 158 | 126.2 Ų | 126.2 | 74% | 0.738 | 64% | 0.638 | S | S | * | * | trans | -126.8 | 110 | 176.8 | -77.2 | -79.1 | 148 | 0 | 0 | 113.2 | E139 F143 | E139-E141 PolarHBondContact O-N 3.18Å; E139-E141 VanDerWaalsContact O-N 3.12Å; E141-F143 PolarHBondContact O-N 2.79Å | ||
| 142 | D | 47.8 | Very low | 46.8 | Very low | 157 Ų | 157 | 125.4 Ų | 125.4 | 84% | 0.84 | 65% | 0.651 | S | S | * | * | trans | 33.3 | 69.9 | 160.9 | -84.9 | -2.8 | 0 | 0 | 0 | 118.6 | P144 | D142-P144 WeakPolarHBondContact O-CD 3.22Š| ||
| 143 | F | 32.9 | Very low | 44.3 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 77% | 0.768 | 68% | 0.677 | S | S | * | * | trans | -63.5 | 125.8 | 161.8 | -77.4 | -80.4 | 0 | 0 | 0 | 111.2 | E141 Q145 | E141-F143 PolarHBondContact O-N 2.79Å; F143-Q145 PolarHBondContact O-N 3.1Å | ||
| 144 | P | 32.6 | Very low | 42.3 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 66% | 0.656 | 71% | 0.711 | S | S | * | * | trans | -74.5 | 91.7 | -177.8 | 29.6 | -35 | 0 | 0 | 0 | 111.3 | D142 F146 | D142-P144 WeakPolarHBondContact O-CD 3.22Å; P144-F146 HydrophobicContact CB-CE2 4.46Å; P144-F146 WeakPolarHBondContact O-CD2 3.49Å; P144-F146 PolarHBondContact O-N 2.98Å | ||
| 145 | Q | 37.3 | Very low | 40.3 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | -60.7 | 102.7 | 174.2 | -169.6 | 173.7 | 19.6 | 0 | 0 | 110.1 | F143 Q147 | F143-Q145 PolarHBondContact O-N 3.1Å; Q145-Q147 PolarHBondContact O-N 2.97Å | ||
| 146 | F | 37.3 | Very low | 38.7 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | trans | -73.4 | 71.6 | 177.7 | -89.4 | -82.6 | 0 | 0 | 0 | 111.3 | P144 Y148 | P144-F146 HydrophobicContact CB-CE2 4.46Å; P144-F146 WeakPolarHBondContact O-CD2 3.49Å; P144-F146 PolarHBondContact O-N 2.98Å; F146-Y148 PolarHBondContact O-N 2.85Å | ||
| 147 | Q | 33.7 | Very low | 37.4 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -63.8 | 100 | 179.2 | -170.5 | -179.3 | 8.5 | 0 | 0 | 110.6 | Q145 S149 | Q145-Q147 PolarHBondContact O-N 2.97Å; Q147-S149 PolarHBondContact O-N 3.04Å | ||
| 148 | Y | 40.5 | Very low | 36.3 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 53% | 0.529 | 76% | 0.763 | S | S | . | * | trans | -76 | 62 | 170 | -84.6 | -79.3 | 0 | 0 | 0 | 111.1 | Q65 F146 V150 | Q65-Y148 HydrophobicContact CB-CG 4.5Å; Q65-Y148 HydrophobicContact CG-CD1 3.86Å; Q65-Y148 HydrophobicContact CG-CD2 3.88Å; Q65-Y148 HydrophobicContact CG-CE1 4.34Å; Q65-Y148 HydrophobicContact CG-CE2 4.35Å; Q65-Y148 HydrophobicContact CG-CG 3.61Å; Q65-Y148 VanDerWaalsContact NE2-CE1 3.32Å; F146-Y148 PolarHBondContact O-N 2.85Å; Y148-V150 PolarHBondContact O-N 3.43Å | ||
| 149 | S | 33.2 | Very low | 35.5 | Very low | 84 Ų | 84 | 147.2 Ų | 147.2 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | trans | -71.8 | 93.3 | 178.7 | 44.6 | 0 | 0 | 0 | 0 | 112 | Q147 | Q147-S149 PolarHBondContact O-N 3.04Š| ||
| 150 | V | 38.9 | Very low | 35 | Very low | 93 Ų | 93 | 149.2 Ų | 149.2 | 56% | 0.564 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -134.4 | 110 | 168.4 | -168.6 | 0 | 0 | 0 | 0 | 109.2 | Y148 | Y148-V150 PolarHBondContact O-N 3.43Š|
| 151 | Y | 35.1 | Very low | 35.1 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 68.8 | 82.7 | -172.3 | -49.8 | -68.9 | 0 | 0 | 0 | 115.8 | ||
| 152 | A | 35.5 | Very low | 34.4 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | trans | -136.9 | 25.1 | 168 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 153 | D | 31 | Very low | 33.3 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -134.7 | 95.1 | 177.6 | -95.8 | -47.9 | 0 | 0 | 0 | 111.4 | ||||
| 154 | Q | 34.6 | Very low | 32.9 | Very low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | 158 | 75.7 | 152.5 | -90.7 | 166.7 | 76 | 0 | 0 | 112.1 | ||||
| 155 | T | 29 | Very low | 32.6 | Very low | 142 Ų | 142 | 148 Ų | 148 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | trans | -142.3 | 52 | 158.5 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | T157 | T155-T157 PolarHBondContact O-N 3.15Š| ||
| 156 | D | 29.2 | Very low | 32 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 92% | 0.92 | 76% | 0.76 | S | S | * | * | trans | -71 | 111.3 | 163.4 | -95.1 | -34.8 | 0 | 0 | 0 | 109.9 | ||||
| 157 | T | 28.8 | Very low | 31.4 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | -146.3 | 110.7 | 161.4 | -60.1 | 0 | 0 | 0 | 0 | 108.8 | T155 | T155-T157 PolarHBondContact O-N 3.15Š| ||
| 158 | S | 29.1 | Very low | 30.9 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -70.4 | 145.7 | -167 | 56.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 159 | S | 29.2 | Very low | 30.3 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -149.1 | 132.1 | 135.7 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 160 | Y | 28.1 | Very low | 29.9 | Very low | 218 Ų | 218 | 145 Ų | 145 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -80.1 | 175.5 | 172.5 | -98.9 | -134.4 | 0 | 0 | 0 | 111.3 | ||||
| 161 | P | 51.5 | Low | 29.3 | Very low | 91 Ų | 91 | 145.5 Ų | 145.5 | 59% | 0.591 | 78% | 0.776 | S | S | * | * | cis | -140.5 | -159.2 | -29.6 | 38.6 | -18.7 | 0 | 0 | 0 | 113 | ||||
| 162 | E | 26.9 | Very low | 28.8 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 73.5 | 148 | 160.8 | -72.1 | 166.6 | -142.7 | 0 | 0 | 116.9 | ||||
| 163 | S | 26.1 | Very low | 28.4 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | cis | -137 | 175.6 | 12.4 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 164 | E | 23.4 | Very low | 28.2 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -79.8 | 157.2 | -174.9 | -53.3 | 173.8 | 131.3 | 0 | 0 | 113.4 | ||||
| 165 | Y | 26.3 | Very low | 27.7 | Very low | 205 Ų | 205 | 140.8 Ų | 140.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | 174.3 | 110.9 | 118.2 | -107.6 | -105.6 | 0 | 0 | 0 | 108.5 | |||||
| 166 | S | 25.3 | Very low | 27.6 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | 66.2 | 105.6 | 95.6 | 139.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 167 | F | 23.3 | Very low | 27.5 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | 107.4 | 140.6 | 87.7 | -152.2 | -121 | 0 | 0 | 0 | 108.3 | |||||
| 168 | S | 23.8 | Very low | 27.3 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 46% | 0.462 | 74% | 0.737 | S | S | . | * | cis | -171.5 | 163.7 | 4.5 | -145.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 169 | S | 27.6 | Very low | 27.2 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | trans | 64.3 | 158.6 | 138.4 | -67 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 170 | R | 25.7 | Very low | 27.3 | Very low | 202 Ų | 202 | 138.8 Ų | 138.8 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | cis | -156.7 | 132.5 | -16.8 | -106.5 | 161.7 | -178.4 | 175.6 | -0.3 | 105.1 | ||||
| 171 | S | 25 | Very low | 27.7 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | 68 | 148.1 | 75.3 | -46.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 172 | F | 25.8 | Very low | 26.5 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | trans | 110.6 | 132.3 | 163.3 | -75.3 | -102.8 | 0 | 0 | 0 | 117.4 | ||||
| 173 | M | 26.9 | Very low | 26.4 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | cis | 179.2 | 173.9 | -26.8 | -112.9 | -112.1 | -85.9 | 0 | 0 | 112 | ||||
| 174 | I | 26.1 | Very low | 26.4 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 71.9 | 137.2 | 154 | -75.9 | 154.9 | 0 | 0 | 0 | 116.6 | ||||
| 175 | S | 25.7 | Very low | 26.6 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | cis | -167.6 | -177.3 | -16.6 | 67.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 176 | G | 26 | Very low | 26.6 | Very low | 54 Ų | 54 | 132.4 Ų | 132.4 | 56% | 0.557 | 73% | 0.734 | S | S | * | * | cis | 166.9 | 176.1 | 5.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 177 | F | 26.2 | Very low | 26.5 | Very low | 217 Ų | 217 | 139 Ų | 139 | 95% | 0.952 | 75% | 0.745 | S | S | * | * | trans | 63.6 | 121.5 | -178.7 | -54.1 | -84.4 | 0 | 0 | 0 | 116 | ||||
| 178 | G | 25.9 | Very low | 26.6 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | cis | 146.3 | 156 | -0.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 179 | E | 27.4 | Very low | 26.6 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | cis | -168 | 179.7 | -8.9 | -150.6 | -173.7 | -80.1 | 0 | 0 | 108.9 | ||||
| 180 | V | 30.3 | Very low | 26.4 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | trans | 72.8 | 139.7 | 162.5 | 161.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 181 | P | 36.2 | Very low | 26.5 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -136.6 | 169.9 | 26 | 46.5 | -31.2 | 0 | 0 | 0 | 119.6 | ||||
| 182 | L | 27.3 | Very low | 26.4 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | 65.9 | 113.9 | 156.4 | -56.4 | -157.9 | 0 | 0 | 0 | 121.6 | ||||
| 183 | S | 24 | Very low | 26.3 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -115.5 | 134.7 | 154.5 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 184 | S | 27.3 | Very low | 26.3 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 23.9 | 138.5 | 144.5 | -164.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 185 | T | 26.2 | Very low | 26.3 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 64% | 0.644 | 75% | 0.754 | S | S | * | * | 146.4 | 114.9 | 121.8 | -61.5 | 0 | 0 | 0 | 0 | 114.8 | R187 | T185-R187 HydrophobicContact CG2-CG 4.3Š| |||
| 186 | R | 27.6 | Very low | 26.3 | Very low | 243 Ų | 243 | 137.1 Ų | 137.1 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | trans | -168 | 125.8 | 131.7 | -101.1 | 172 | -163.8 | -136.3 | 4.2 | 107.2 | ||||
| 187 | R | 22.8 | Very low | 26.3 | Very low | 228 Ų | 228 | 141.9 Ų | 141.9 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | cis | 73 | 92.7 | 43.3 | -78.2 | -170 | 155.9 | -164.2 | -3.3 | 116 | T185 | T185-R187 HydrophobicContact CG2-CG 4.3Š| ||
| 188 | S | 24.1 | Very low | 26.3 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | 175.9 | 121.1 | 128.8 | 51.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 189 | S | 24.9 | Very low | 26.7 | Very low | 86 Ų | 86 | 143 Ų | 143 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | cis | 92.3 | 144.6 | 39.3 | 73.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 190 | F | 23.6 | Very low | 27.2 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | 76.6 | 140.6 | 177.9 | -45.9 | -65.3 | 0 | 0 | 0 | 115.7 | ||||
| 191 | L | 26.6 | Very low | 27 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | cis | -130.1 | 162.8 | -15 | -65.1 | 95.8 | 0 | 0 | 0 | 107.1 | ||||
| 192 | N | 23.3 | Very low | 26.5 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | cis | 74.6 | 131.3 | 33.9 | -155.9 | 12.6 | 0 | 0 | 0 | 116.4 | ||||
| 193 | L | 24.7 | Very low | 26.3 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 63.1 | 150.4 | -179.6 | -61.9 | 117.5 | 0 | 0 | 0 | 116.6 | ||||
| 194 | S | 26.8 | Very low | 26.3 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 55% | 0.552 | 76% | 0.755 | S | S | * | * | cis | -176.8 | 160.9 | -21.2 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 195 | N | 25 | Very low | 26.3 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 67.2 | 159.5 | 149.7 | -69.8 | -8.6 | 0 | 0 | 0 | 117.6 | ||||
| 196 | M | 25.6 | Very low | 26.4 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | cis | -162.3 | 157.7 | -15.3 | -107.8 | -79.6 | 174.6 | 0 | 0 | 108.9 | ||||
| 197 | N | 26.9 | Very low | 26.4 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | 65 | 146.2 | 163.3 | -54.8 | -32.9 | 0 | 0 | 0 | 118 | ||||
| 198 | G | 26.8 | Very low | 26.5 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | cis | 176.7 | 159.8 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 199 | R | 33.8 | Very low | 26.6 | Very low | 242 Ų | 242 | 132.5 Ų | 132.5 | 91% | 0.913 | 75% | 0.747 | S | S | * | * | trans | -77.8 | 146.9 | 163.7 | -93.4 | -176.8 | 169.2 | -171.7 | -1.8 | 109.8 | ||||
| 200 | P | 36.6 | Very low | 27.5 | Very low | 121 Ų | 121 | 134 Ų | 134 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | -132.4 | 155.7 | 98.7 | 37.2 | -28 | 0 | 0 | 0 | 111.6 | |||||
| 201 | S | 26 | Very low | 27.7 | Very low | 93 Ų | 93 | 130 Ų | 130 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | cis | 78.3 | 101.5 | 22.6 | -168.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 202 | C | 26.3 | Very low | 27.8 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 72% | 0.716 | 75% | 0.751 | S | S | * | * | 160.4 | 141.3 | 122.2 | -88.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 203 | R | 24.1 | Very low | 28 | Very low | 244 Ų | 244 | 130.3 Ų | 130.3 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | 67.8 | 151.7 | 161.7 | -59.7 | 166.8 | -172.9 | -153.3 | -0.9 | 115.5 | ||||
| 204 | G | 24 | Very low | 28 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | cis | 124.3 | 147.3 | 9.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 205 | V | 26.6 | Very low | 28 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | cis | -162.4 | 135.8 | 19.9 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 206 | S | 28.8 | Very low | 28.1 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | 50.8 | 177.2 | 153.9 | -48.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 207 | F | 27.1 | Very low | 28.2 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 80% | 0.803 | 77% | 0.771 | S | S | * | * | cis | -154 | 161.8 | 5.6 | -125.6 | -53.3 | 0 | 0 | 0 | 112.7 | ||||
| 208 | N | 25.6 | Very low | 28.3 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | 77.4 | 140.7 | 156.5 | -65 | -21.3 | 0 | 0 | 0 | 121.7 | ||||
| 209 | G | 25.7 | Very low | 28.5 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -109.8 | -137.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 210 | P | 42.8 | Very low | 28.1 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | cis | -143.5 | 172.2 | 0.4 | 40.8 | -21.4 | 0 | 0 | 0 | 117.3 | ||||
| 211 | S | 28.8 | Very low | 27.7 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 68.8 | 166 | 139.1 | 67.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 212 | V | 27.9 | Very low | 27.6 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | 93.3 | 138.2 | 159.4 | -159.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 213 | L | 27 | Very low | 28.3 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -70 | 173.7 | -170.2 | -53.5 | 159.9 | 0 | 0 | 0 | 116.6 | ||||
| 214 | S | 25.4 | Very low | 28.6 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | 107.6 | 114 | 131.2 | 76.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 215 | S | 27.2 | Very low | 28.8 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 59.9 | 111.4 | 118 | -56 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 216 | T | 28.1 | Very low | 28.8 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | 81 | 119.1 | 112.5 | -55.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 217 | R | 26.6 | Very low | 28.8 | Very low | 226 Ų | 226 | 124.5 Ų | 124.5 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 64.1 | 133.2 | 156.2 | -70.8 | 174.5 | -174.6 | -161.1 | 2.5 | 117.3 | ||||
| 218 | I | 28.2 | Very low | 28.8 | Very low | 162 Ų | 162 | 120.1 Ų | 120.1 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | -162.9 | 164.9 | 67 | -118.3 | 137.7 | 0 | 0 | 0 | 111.2 | |||||
| 219 | S | 31.3 | Very low | 29 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -107.5 | 133.7 | 177.4 | -52.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 220 | A | 27 | Very low | 30.1 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | -159 | 119.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 221 | A | 26.5 | Very low | 29.4 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | 75.9 | 138.7 | 83.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 222 | G | 25.8 | Very low | 29.5 | Very low | 69 Ų | 69 | 122 Ų | 122 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | -141.4 | -177.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 223 | P | 40.7 | Very low | 29.6 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -100.3 | 151.8 | 173.5 | 41.3 | -34.1 | 0 | 0 | 0 | 110.7 | ||||
| 224 | V | 28.6 | Very low | 29.7 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | cis | 67.1 | 117.8 | 44.4 | -177 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 225 | A | 28.8 | Very low | 29.9 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -140 | -148.6 | -16.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 226 | T | 27.4 | Very low | 29.7 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | cis | -162.2 | 167.9 | 5.5 | -6.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 227 | T | 27.8 | Very low | 29.6 | Very low | 131 Ų | 131 | 121.3 Ų | 121.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | -108.8 | -139.8 | 7.5 | 50.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 228 | A | 27.8 | Very low | 29.5 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | -152.2 | -178.9 | 7.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 229 | A | 29.7 | Very low | 29.4 | Very low | 91 Ų | 91 | 117.5 Ų | 117.5 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -148.4 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 230 | P | 48.6 | Very low | 29.1 | Very low | 98 Ų | 98 | 114 Ų | 114 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | cis | -139.2 | 160.3 | 10 | 43 | -24.8 | 0 | 0 | 0 | 118.1 | ||||
| 231 | E | 29.1 | Very low | 28.9 | Very low | 158 Ų | 158 | 115.2 Ų | 115.2 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | 62.8 | 150.7 | 128.5 | -71.4 | 163 | -138.7 | 0 | 0 | 122.2 | |||||
| 232 | N | 30.6 | Very low | 28.9 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | cis | -127.1 | 151 | -6.4 | -76.1 | -73.3 | 0 | 0 | 0 | 108.2 | ||||
| 233 | D | 30.1 | Very low | 29 | Very low | 146 Ų | 146 | 117.6 Ų | 117.6 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | cis | 70.2 | 137.9 | 43.7 | -79.7 | -10.9 | 0 | 0 | 0 | 115.2 | ||||
| 234 | A | 28.8 | Very low | 28.2 | Very low | 73 Ų | 73 | 120.2 Ų | 120.2 | 60% | 0.603 | 74% | 0.742 | S | S | * | * | cis | -167 | -170.9 | -9.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 235 | L | 29.2 | Very low | 28.1 | Very low | 170 Ų | 170 | 121 Ų | 121 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | 82.9 | 142.2 | 159.2 | -57.3 | -178.7 | 0 | 0 | 0 | 117.5 | ||||
| 236 | S | 24.3 | Very low | 28 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | cis | -158 | 151.4 | 2.6 | 47.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 237 | C | 25.6 | Very low | 28 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | trans | 73.5 | 135.2 | 156.2 | -63.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 238 | D | 24.6 | Very low | 28 | Very low | 152 Ų | 152 | 124 Ų | 124 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | 76 | 140.4 | 53.7 | -86.7 | 5.6 | 0 | 0 | 0 | 112.6 | |||||
| 239 | D | 24.3 | Very low | 27.9 | Very low | 156 Ų | 156 | 124 Ų | 124 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | cis | -161.5 | 174.8 | 3.7 | 177.1 | 30.7 | 0 | 0 | 0 | 109.7 | ||||
| 240 | G | 26.4 | Very low | 27.6 | Very low | 49 Ų | 49 | 123.9 Ų | 123.9 | 51% | 0.505 | 73% | 0.726 | S | S | . | * | trans | 89.6 | 132 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 241 | S | 23.1 | Very low | 26.4 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | 69 | 130.1 | 55.3 | 84.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 242 | V | 26.5 | Very low | 26 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | -166.1 | 163.6 | 74.3 | 153.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 243 | T | 26.7 | Very low | 25.6 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | -20.5 | 136.6 | 172.8 | 61 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 244 | E | 25 | Very low | 25.7 | Very low | 174 Ų | 174 | 119.4 Ų | 119.4 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | 77.6 | 117.6 | 98 | -59.4 | -177.3 | 141.3 | 0 | 0 | 117.2 | |||||
| 245 | D | 26.6 | Very low | 25.7 | Very low | 153 Ų | 153 | 121.6 Ų | 121.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | -177.4 | 131.4 | 124.2 | -93.1 | -32.5 | 0 | 0 | 0 | 106.8 | |||||
| 246 | N | 25.8 | Very low | 25.5 | Very low | 129 Ų | 129 | 117.5 Ų | 117.5 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | 61.9 | 126.1 | 72.3 | -136 | 20.9 | 0 | 0 | 0 | 111.2 | |||||
| 247 | E | 27.6 | Very low | 25.4 | Very low | 141 Ų | 141 | 119.6 Ų | 119.6 | 66% | 0.659 | 73% | 0.727 | S | S | * | * | cis | -158.5 | 178.5 | 44 | -80 | -163.5 | 121.7 | 0 | 0 | 113.9 | ||||
| 248 | Q | 27.8 | Very low | 25.3 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | trans | 31.9 | 125.4 | 147.7 | -78.7 | 70 | -72.4 | 0 | 0 | 120.5 | ||||
| 249 | A | 25.6 | Very low | 25.3 | Very low | 92 Ų | 92 | 121.2 Ų | 121.2 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | 86.8 | 155.5 | 51 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 250 | A | 24.1 | Very low | 25.2 | Very low | 87 Ų | 87 | 118.9 Ų | 118.9 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | trans | 56.4 | 110 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 251 | S | 21.9 | Very low | 25.1 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | 66.6 | 132 | 65.6 | 81.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 252 | A | 21.8 | Very low | 25.1 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | trans | 67.6 | 153.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 253 | N | 22.6 | Very low | 25.1 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | cis | -151.4 | -178.5 | -16.7 | -119.3 | -11 | 0 | 0 | 0 | 109.8 | ||||
| 254 | A | 30.6 | Very low | 25 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | trans | -61.7 | 167.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 255 | P | 30.4 | Very low | 25.1 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | -122.5 | 144.7 | 94.2 | 39.6 | -35.7 | 0 | 0 | 0 | 111.1 | |||||
| 256 | S | 24.2 | Very low | 25 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 59% | 0.587 | 74% | 0.741 | S | S | * | * | cis | 63.6 | 134.3 | 46.7 | -132.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 257 | E | 23.1 | Very low | 25 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 66% | 0.659 | 74% | 0.743 | S | S | * | * | cis | -176.5 | -174 | 47.8 | -120.4 | 136.3 | -128.3 | 0 | 0 | 106.4 | ||||
| 258 | F | 23.1 | Very low | 24.8 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | cis | -155.8 | 129.8 | 7.9 | -134.3 | -52.5 | 0 | 0 | 0 | 110.4 | ||||
| 259 | L | 23 | Very low | 24.6 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 55.4 | 170.8 | 158.6 | -80.4 | 166.4 | 0 | 0 | 0 | 118.9 | ||||
| 260 | S | 23.5 | Very low | 24.6 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -143.1 | 175.7 | 5.3 | -153.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 261 | R | 24.8 | Very low | 24.6 | Very low | 225 Ų | 225 | 145.3 Ų | 145.3 | 85% | 0.849 | 77% | 0.772 | S | S | * | * | trans | -85.8 | 149.6 | 178.8 | -55.7 | 169.4 | 171.5 | -178.8 | -4.1 | 112.7 | ||||
| 262 | R | 23.3 | Very low | 24.9 | Very low | 245 Ų | 245 | 146.5 Ų | 146.5 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | -171.4 | 172.3 | 111.8 | -119.3 | -176.7 | 170.8 | 170.7 | -3.6 | 115.4 | |||||
| 263 | A | 24.6 | Very low | 25.2 | Very low | 84 Ų | 84 | 147.9 Ų | 147.9 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | -80.6 | 155.8 | -158.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 264 | S | 25.4 | Very low | 25.4 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | 53.5 | 141.8 | 118.9 | -156.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 265 | R | 27.2 | Very low | 25.2 | Very low | 224 Ų | 224 | 149.5 Ų | 149.5 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | 64.8 | 108.2 | 156.3 | -78 | 169.7 | 173.5 | -178.5 | -3.1 | 119.9 | ||||
| 266 | K | 25.4 | Very low | 25.2 | Very low | 194 Ų | 194 | 154 Ų | 154 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | -179.4 | 135.7 | 114.8 | -88.3 | 147.7 | -173.6 | -179.8 | 0 | 107.6 | |||||
| 267 | S | 24.2 | Very low | 25.3 | Very low | 105 Ų | 105 | 158.9 Ų | 158.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | 72.4 | 85.8 | 30.8 | 84.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 268 | V | 24.3 | Very low | 25.6 | Very low | 144 Ų | 144 | 157.5 Ų | 157.5 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | trans | -137.1 | 142.9 | 152.9 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 269 | S | 23.8 | Very low | 25.8 | Very low | 108 Ų | 108 | 155.9 Ų | 155.9 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -92.4 | 160.5 | -174.4 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 270 | F | 24.9 | Very low | 26 | Very low | 201 Ų | 201 | 158.6 Ų | 158.6 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -79.4 | 160.6 | 169.7 | -64.3 | -94.8 | 0 | 0 | 0 | 112.6 | ||||
| 271 | R | 25.1 | Very low | 26.1 | Very low | 230 Ų | 230 | 158.6 Ų | 158.6 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -129.1 | 126.6 | 147.5 | -90 | -178.4 | 167.4 | 178 | -5 | 106 | ||||
| 272 | N | 27.3 | Very low | 26.9 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 59.3 | 130.9 | 96.5 | -58.1 | 41.4 | 0 | 0 | 0 | 111.4 | |||||
| 273 | V | 27.9 | Very low | 26.9 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | cis | -148.5 | 119.2 | 38 | 162.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 274 | D | 26.1 | Very low | 27.5 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | 83.7 | -174.3 | 96.4 | -59 | -66.7 | 0 | 0 | 0 | 114.9 | |||||
| 275 | D | 27.1 | Very low | 27.9 | Very low | 139 Ų | 139 | 154 Ų | 154 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | 75.5 | 133.1 | -176.8 | -58.6 | -9.5 | 0 | 0 | 0 | 117.8 | ||||
| 276 | Y | 30 | Very low | 27.9 | Very low | 212 Ų | 212 | 152.3 Ų | 152.3 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | cis | -155.5 | 156.8 | -15.2 | -135.9 | -90.6 | 0 | 0 | 0 | 110.1 | ||||
| 277 | F | 26.6 | Very low | 28.5 | Very low | 188 Ų | 188 | 149 Ų | 149 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -101.2 | 140.6 | 172.1 | -106.8 | -90.7 | 0 | 0 | 0 | 111.5 | ||||
| 278 | P | 30.6 | Very low | 28.6 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -79.3 | 134.3 | 171.7 | 31.7 | -33.1 | 0 | 0 | 0 | 111.8 | ||||
| 279 | V | 27.6 | Very low | 28.8 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -105.9 | 139 | 173.2 | 174.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 280 | F | 25.6 | Very low | 28.9 | Very low | 205 Ų | 205 | 147.2 Ų | 147.2 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | trans | -111.1 | 136.7 | 159.5 | -82 | -79.3 | 0 | 0 | 0 | 109.6 | ||||
| 281 | S | 25.8 | Very low | 29.1 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -129.2 | 161.3 | -179.5 | -90.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 282 | P | 41.3 | Very low | 29.2 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -102.8 | 166.5 | -154.9 | 38.9 | -36.7 | 0 | 0 | 0 | 115.2 | ||||
| 283 | E | 23.7 | Very low | 29.4 | Very low | 193 Ų | 193 | 139.6 Ų | 139.6 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -104.1 | 145.9 | 164 | -67.7 | -162.2 | 135.2 | 0 | 0 | 112.4 | ||||
| 284 | T | 37.4 | Very low | 29.3 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -151.2 | 150.2 | 173.7 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 285 | P | 33.9 | Very low | 29.6 | Very low | 130 Ų | 130 | 141 Ų | 141 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | trans | -98.8 | 140.1 | 166.4 | 33.6 | -27.9 | 0 | 0 | 0 | 112.8 | ||||
| 286 | K | 27.6 | Very low | 29.6 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -86.6 | 165.8 | -179.3 | -56.3 | 168.4 | -177.9 | 169.9 | 0 | 111.4 | ||||
| 287 | P | 38.5 | Very low | 29.7 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | -139.2 | 170.6 | 85.9 | 18.8 | 4 | 0 | 0 | 0 | 113.3 | |||||
| 288 | S | 25.6 | Very low | 29.8 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | cis | -173.2 | 143.3 | -16.7 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 289 | T | 27.8 | Very low | 29.9 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | 50.8 | 144.6 | 153.3 | 54.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 290 | A | 27 | Very low | 30.4 | Very low | 89 Ų | 89 | 142.7 Ų | 142.7 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | cis | -169.9 | 150.7 | -18.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 291 | A | 28.7 | Very low | 31 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | 32.1 | 114.5 | 164 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 292 | D | 26.5 | Very low | 31.8 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | -165.4 | 179.8 | 89.9 | -120.7 | -31.9 | 0 | 0 | 0 | 112.9 | |||||
| 293 | I | 31.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -89.4 | 127.1 | -168 | -58.7 | 164.3 | 0 | 0 | 0 | 113.1 | ||||
| 294 | S | 25.9 | Very low | 32.8 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | 161.1 | 152.3 | 129.6 | 52.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 295 | Q | 31.9 | Very low | 33.6 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | 18.1 | 120.5 | 152.3 | -57.2 | 175.4 | 4.8 | 0 | 0 | 120.5 | ||||
| 296 | R | 27.1 | Very low | 34.2 | Very low | 232 Ų | 232 | 137.7 Ų | 137.7 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | -177.2 | 165.5 | 107.6 | -103.7 | 178.9 | 179.4 | -172.9 | -2.6 | 114.2 | |||||
| 297 | T | 32.3 | Very low | 35.1 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -72.4 | 167.4 | 163.9 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 298 | D | 29.9 | Very low | 35.7 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | 161.8 | 120.6 | 123.3 | -77.4 | -5.5 | 0 | 0 | 0 | 110.4 | |||||
| 299 | T | 31.9 | Very low | 36.9 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | trans | -136.9 | 119 | 168.4 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 300 | L | 38.4 | Very low | 37.6 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 90% | 0.895 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 151.8 | 179.7 | -73 | 157.9 | 0 | 0 | 0 | 111.9 | ||
| 301 | P | 38.6 | Very low | 38.5 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 154.8 | -179.9 | 31 | -35.7 | 0 | 0 | 0 | 112.6 | ||
| 302 | F | 42.1 | Very low | 39.3 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 72% | 0.715 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 129.7 | 171.6 | -172.7 | -90 | 0 | 0 | 0 | 109.4 | M304 Y307 | F302-M304 HydrophobicContact CD1-CG 4.35Å; F302-Y307 HydrophobicContact CE1-CE2 4.47Å |
| 303 | D | 42.4 | Very low | 40.5 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 60% | 0.604 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 123.2 | -179 | -168.4 | -21.9 | 0 | 0 | 0 | 110.4 | S305 | D303-S305 VanDerWaalsContact CG-OG 3.29Å; D303-S305 VanDerWaalsContact OD1-CB 3.27Å; D303-S305 WeakPolarHBondContact OD1-CB 3.46Å; D303-S305 PolarHBondContact OD1-N 3.39Å; D303-S305 PolarHBondContact OD1-OG 3.02Å; D303-S305 PolarHBondContact OD2-OG 3.17Å |
| 304 | M | 44.7 | Very low | 41.3 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 58% | 0.576 | 71% | 0.711 | S | S | * | * | trans | -98.8 | 4.2 | -179.6 | -63.8 | -134.5 | -61.2 | 0 | 0 | 113.9 | F302 E306 Y307 | F302-M304 HydrophobicContact CD1-CG 4.35Å; M304-E306 PolarHBondContact O-N 3.08Å; M304-E306 VanDerWaalsContact O-N 3.17Å; M304-Y307 PolarHBondContact O-N 3.46Å | ||
| 305 | S | 52.8 | Low | 42.3 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -66.5 | -12.3 | 177.8 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | D303 Y307 | D303-S305 VanDerWaalsContact CG-OG 3.29Å; D303-S305 VanDerWaalsContact OD1-CB 3.27Å; D303-S305 WeakPolarHBondContact OD1-CB 3.46Å; D303-S305 PolarHBondContact OD1-N 3.39Å; D303-S305 PolarHBondContact OD1-OG 3.02Å; D303-S305 PolarHBondContact OD2-OG 3.17Å; S305-Y307 PolarHBondContact O-N 2.88Å |
| 306 | E | 46.4 | Very low | 43.1 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -75.4 | -6.4 | 174.7 | -159.9 | 167.9 | -140 | 0 | 0 | 113.8 | M304 | M304-E306 PolarHBondContact O-N 3.08Å; M304-E306 VanDerWaalsContact O-N 3.17Å |
| 307 | Y | 47.4 | Very low | 44.1 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 49% | 0.49 | 70% | 0.697 | S | S | . | * | G | 310 helix | trans | -121.7 | 41.5 | -175.1 | -62.6 | -75.2 | 0 | 0 | 0 | 114.3 | F302 M304 S305 D309 F310 | F302-Y307 HydrophobicContact CE1-CE2 4.47Å; M304-Y307 PolarHBondContact O-N 3.46Å; S305-Y307 PolarHBondContact O-N 2.88Å; Y307-D309 PolarHBondContact O-N 3.33Å; Y307-D309 VanDerWaalsContact O-N 3.16Å; Y307-F310 PolarHBondContact O-N 3.21Å |
| 308 | S | 51.1 | Low | 44.9 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 58% | 0.58 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -48.1 | -42.3 | 177 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | F310 L311 | S308-F310 PolarHBondContact O-N 3.26Å; S308-L311 PolarHBondContact O-N 2.95Å |
| 309 | D | 49.7 | Very low | 45.5 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -69 | -6.3 | -175.1 | -60.7 | 14.3 | 0 | 0 | 0 | 113.2 | Y307 | Y307-D309 PolarHBondContact O-N 3.33Å; Y307-D309 VanDerWaalsContact O-N 3.16Å |
| 310 | F | 43.8 | Very low | 46.2 | Very low | 182 Ų | 182 | 128.2 Ų | 128.2 | 80% | 0.798 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -108.4 | -9.7 | 179.2 | -116.9 | -88.6 | 0 | 0 | 0 | 113.9 | Y307 S308 | Y307-F310 PolarHBondContact O-N 3.21Å; S308-F310 PolarHBondContact O-N 3.26Å |
| 311 | L | 46.2 | Very low | 46.5 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 50% | 0.503 | 68% | 0.676 | S | S | . | * | trans | -114.5 | 45.4 | -179.8 | -65.9 | 178 | 0 | 0 | 0 | 111.7 | S308 S313 | S308-L311 PolarHBondContact O-N 2.95Å; L311-S313 PolarHBondContact O-N 2.96Å; L311-S313 VanDerWaalsContact O-N 3.16Å | ||
| 312 | D | 45.6 | Very low | 46.8 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 42% | 0.417 | 68% | 0.682 | S | S | . | * | trans | -62.6 | 109.5 | 174.2 | -172.2 | 14.1 | 0 | 0 | 0 | 110.3 | E314 R315 | D312-E314 PolarHBondContact O-N 3.11Å; D312-E314 VanDerWaalsContact O-N 3.15Å; D312-R315 HydrophobicContact CB-CG 4.39Å; D312-R315 PolarHBondContact O-N 3.03Å; D312-R315 IonicContact OD2-NE 3.66Å; D312-R315 PolarHBondContact OD2-NE 3.08Å | ||
| 313 | S | 51 | Low | 47 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -66.2 | -22.1 | -164.9 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | L311 R315 | L311-S313 PolarHBondContact O-N 2.96Å; L311-S313 VanDerWaalsContact O-N 3.16Å; S313-R315 PolarHBondContact O-N 2.71Å |
| 314 | E | 48.1 | Very low | 47.4 | Very low | 186 Ų | 186 | 127.7 Ų | 127.7 | 87% | 0.869 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -73.6 | -8.6 | 176.5 | -59 | -173 | 173.6 | 0 | 0 | 113.3 | D312 | D312-E314 PolarHBondContact O-N 3.11Å; D312-E314 VanDerWaalsContact O-N 3.15Å |
| 315 | R | 47.8 | Very low | 47.9 | Very low | 205 Ų | 205 | 125.6 Ų | 125.6 | 77% | 0.774 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -103.8 | -3.4 | -178.4 | -61.7 | -178.3 | 177.5 | -114.9 | -9.7 | 114.4 | D312 S313 A317 | D312-R315 HydrophobicContact CB-CG 4.39Å; D312-R315 PolarHBondContact O-N 3.03Å; D312-R315 IonicContact OD2-NE 3.66Å; D312-R315 PolarHBondContact OD2-NE 3.08Å; S313-R315 PolarHBondContact O-N 2.71Å; R315-A317 PolarHBondContact O-N 2.84Å |
| 316 | L | 48.1 | Very low | 47.7 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 64% | 0.639 | 68% | 0.68 | S | S | * | * | trans | -89.9 | 97.3 | -178.7 | -80.2 | 163.9 | 0 | 0 | 0 | 111.6 | T318 | L316-T318 PolarHBondContact O-N 3.08Š| ||
| 317 | A | 47.6 | Very low | 47.8 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | trans | -79.1 | 110.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R315 V319 | R315-A317 PolarHBondContact O-N 2.84Å; A317-V319 PolarHBondContact O-N 2.89Å | ||
| 318 | T | 48.7 | Very low | 47.7 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | trans | -75.2 | 105.3 | 173.2 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | L316 | L316-T318 PolarHBondContact O-N 3.08Š| ||
| 319 | V | 43 | Very low | 47.3 | Very low | 83 Ų | 83 | 123.2 Ų | 123.2 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | trans | -82.4 | 120.4 | -179.4 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | A317 I325 | A317-V319 PolarHBondContact O-N 2.89Å; V319-I325 HydrophobicContact CG1-CD1 4.4Å; V319-I325 HydrophobicContact CG1-CG1 4.26Å; V319-I325 HydrophobicContact CG2-CD1 4Å; V319-I325 HydrophobicContact CG2-CG1 4.24Å | ||
| 320 | L | 46.1 | Very low | 47.2 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 64% | 0.639 | 68% | 0.68 | S | S | * | * | trans | -76.3 | 150.3 | 174.5 | -70.1 | 171.8 | 0 | 0 | 0 | 111.4 | Q322 Q323 | L320-Q322 PolarHBondContact O-N 2.65Å; L320-Q323 PolarHBondContact O-N 3.27Å | ||
| 321 | P | 45.3 | Very low | 47 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 85% | 0.851 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 4.2 | -161.1 | -24.3 | 35.8 | 0 | 0 | 0 | 118.2 | ||
| 322 | Q | 45.5 | Very low | 47 | Very low | 197 Ų | 197 | 120.7 Ų | 120.7 | 92% | 0.921 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 10.4 | -174.8 | -65.4 | -174.7 | -10.7 | 0 | 0 | 114.2 | L320 | L320-Q322 PolarHBondContact O-N 2.65Š|
| 323 | Q | 46 | Very low | 47 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | trans | -104.4 | 126.9 | 170 | -74.5 | -174.4 | -20 | 0 | 0 | 111.1 | L320 | L320-Q323 PolarHBondContact O-N 3.27Š| ||
| 324 | G | 49.7 | Very low | 46.9 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 85% | 0.845 | 69% | 0.685 | S | S | * | * | trans | -78 | 135.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 325 | I | 56.1 | Low | 46.3 | Very low | 73 Ų | 73 | 120.1 Ų | 120.1 | 37% | 0.374 | 68% | 0.68 | S | S | . | * | trans | -82.9 | 123.9 | 177.8 | -53.6 | 172.4 | 0 | 0 | 0 | 109.2 | V319 V327 F334 | V319-I325 HydrophobicContact CG1-CD1 4.4Å; V319-I325 HydrophobicContact CG1-CG1 4.26Å; V319-I325 HydrophobicContact CG2-CD1 4Å; V319-I325 HydrophobicContact CG2-CG1 4.24Å; I325-V327 PolarHBondContact O-N 2.89Å; I325-F334 HydrophobicContact CG2-CE1 4.15Å; I325-F334 HydrophobicContact CG2-CE2 4.17Å; I325-F334 HydrophobicContact CG2-CZ 3.76Å | ||
| 326 | D | 47.8 | Very low | 45.9 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 59% | 0.588 | 68% | 0.679 | S | S | * | * | trans | -80.8 | 107 | 172.6 | -171.7 | -15.3 | 0 | 0 | 0 | 110.6 | T328 | D326-T328 VanDerWaalsContact C-N 3.26Å; D326-T328 PolarHBondContact O-N 2.97Å; D326-T328 VanDerWaalsContact OD1-CB 3.31Å; D326-T328 WeakPolarHBondContact OD1-CB 3.5Å; D326-T328 WeakPolarHBondContact OD1-CG2 3.33Å; D326-T328 PolarHBondContact OD1-N 3.49Å; D326-T328 PolarHBondContact OD1-OG1 3.01Å; D326-T328 PolarHBondContact OD2-OG1 3.37Å | ||
| 327 | V | 49.4 | Very low | 45 | Very low | 118 Ų | 118 | 117.1 Ų | 117.1 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 12.3 | -176.5 | -148.8 | 0 | 0 | 0 | 0 | 112.7 | I325 | I325-V327 PolarHBondContact O-N 2.89Š|
| 328 | T | 44.6 | Very low | 44.4 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -4.1 | -176.6 | 68 | 0 | 0 | 0 | 0 | 115.1 | D326 | D326-T328 VanDerWaalsContact C-N 3.26Å; D326-T328 PolarHBondContact O-N 2.97Å; D326-T328 VanDerWaalsContact OD1-CB 3.31Å; D326-T328 WeakPolarHBondContact OD1-CB 3.5Å; D326-T328 WeakPolarHBondContact OD1-CG2 3.33Å; D326-T328 PolarHBondContact OD1-N 3.49Å; D326-T328 PolarHBondContact OD1-OG1 3.01Å; D326-T328 PolarHBondContact OD2-OG1 3.37Å |
| 329 | S | 43.6 | Very low | 43.5 | Very low | 57 Ų | 57 | 125.5 Ų | 125.5 | 40% | 0.399 | 69% | 0.685 | S | S | . | * | trans | -87 | 136.3 | 171.1 | 73 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 330 | P | 46.9 | Very low | 43.1 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -4.2 | -172.5 | 35.5 | -37.2 | 0 | 0 | 0 | 114.5 | ||
| 331 | D | 39.8 | Very low | 42.4 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 9.7 | -165.4 | -62.2 | -48.7 | 0 | 0 | 0 | 113.6 | ||
| 332 | H | 46.5 | Very low | 41.6 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 58% | 0.579 | 70% | 0.695 | S | S | * | * | trans | -127 | 133 | -178.5 | -66.3 | 3 | 0 | 0 | 0 | 111.3 | F334 | H332-F334 HydrophobicContact CB-CE2 3.96Å; H332-F334 HydrophobicContact CB-CZ 3.91Å | ||
| 333 | V | 45 | Very low | 40.8 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 82% | 0.824 | 69% | 0.686 | S | S | * | * | trans | -116.4 | 112.4 | 177 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | V335 | V333-V335 HydrophobicContact CG1-CG2 4.48Š| ||
| 334 | F | 48.9 | Very low | 40.1 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 39% | 0.386 | 69% | 0.686 | S | S | . | * | trans | -91.5 | 122.4 | -179.6 | -57.8 | -81.3 | 0 | 0 | 0 | 110.4 | I325 H332 F336 | I325-F334 HydrophobicContact CG2-CE1 4.15Å; I325-F334 HydrophobicContact CG2-CE2 4.17Å; I325-F334 HydrophobicContact CG2-CZ 3.76Å; H332-F334 HydrophobicContact CB-CE2 3.96Å; H332-F334 HydrophobicContact CB-CZ 3.91Å; F334-F336 HydrophobicContact CB-CE2 3.94Å; F334-F336 HydrophobicContact CB-CZ 4.15Å | ||
| 335 | V | 36.3 | Very low | 39.2 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | trans | -112.5 | 117.5 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | V333 | V333-V335 HydrophobicContact CG1-CG2 4.48Š| ||
| 336 | F | 38.1 | Very low | 38.2 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | trans | -98.3 | 100.1 | 179.2 | -62.9 | -81.7 | 0 | 0 | 0 | 110 | F334 | F334-F336 HydrophobicContact CB-CE2 3.94Å; F334-F336 HydrophobicContact CB-CZ 4.15Å | ||
| 337 | S | 30.3 | Very low | 37.8 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | trans | -72.7 | 137.3 | 164.1 | 49 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 338 | R | 33.8 | Very low | 37 | Very low | 225 Ų | 225 | 138 Ų | 138 | 85% | 0.849 | 73% | 0.734 | S | S | * | * | trans | -111.8 | 71.8 | 171.3 | -171.4 | -174 | 130.7 | 158.1 | -1.6 | 109.2 | S340 | R338-S340 PolarHBondContact O-OG 3.27Š| ||
| 339 | E | 30.4 | Very low | 36.5 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -60.6 | 144 | 172.2 | -67 | -176.4 | 166.7 | 0 | 0 | 110.1 | ||||
| 340 | S | 34 | Very low | 36.1 | Very low | 94 Ų | 94 | 144.8 Ų | 144.8 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | -140 | 109.1 | -168.1 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | R338 | R338-S340 PolarHBondContact O-OG 3.27Š| ||
| 341 | S | 32.3 | Very low | 35.4 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -138.8 | 111.7 | 167.3 | 41.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 342 | E | 28.1 | Very low | 35 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | 65.7 | 90.2 | 101.1 | -67.9 | -175.2 | 149 | 0 | 0 | 111.1 | |||||
| 343 | S | 29.9 | Very low | 33.9 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | 72.8 | 135.8 | 84.7 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 344 | T | 31.4 | Very low | 32.8 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | cis | -141.2 | 165.4 | 23.3 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 345 | E | 30.4 | Very low | 31.8 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | 33.2 | 121.3 | 144.7 | -61.1 | 167.2 | 170.6 | 0 | 0 | 118.1 | ||||
| 346 | E | 34.9 | Very low | 31.2 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | S | Bend | cis | -132.1 | -174.4 | 34.6 | -61.3 | 178.4 | 140.3 | 0 | 0 | 113.4 | ||
| 347 | E | 39 | Very low | 30.5 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 54.9 | 87.9 | -175.8 | -68.7 | -157.7 | 126.8 | 0 | 0 | 117.2 | ||
| 348 | L | 33.5 | Very low | 30.3 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -174.7 | 69.4 | 134.7 | -102.2 | 166.7 | 0 | 0 | 0 | 112.3 | ||||
| 349 | E | 34.1 | Very low | 29.8 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | trans | -101.2 | 141.2 | 160.4 | -67.5 | -151.6 | 151.5 | 0 | 0 | 109.8 | ||||
| 350 | K | 35.1 | Very low | 29.5 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 73% | 0.726 | 80% | 0.796 | S | S | * | * | cis | -151.8 | 141.8 | -1.7 | -120.9 | 162.8 | -170.1 | 144.5 | 0 | 110.4 | ||||
| 351 | T | 30.9 | Very low | 29 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -91.3 | 140.2 | 170.4 | 27.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 352 | V | 31.4 | Very low | 28.7 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | 49.2 | 110.7 | 148.6 | -173 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 353 | I | 25.2 | Very low | 28.8 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -136.5 | 102.7 | 150.2 | -65.6 | -175.5 | 0 | 0 | 0 | 105.6 | ||||
| 354 | S | 21.8 | Very low | 28.9 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | 82 | 161 | 95.4 | 98.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 355 | Q | 27.3 | Very low | 29.4 | Very low | 180 Ų | 180 | 150 Ų | 150 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -104.2 | 157.1 | -172.8 | -67.8 | 173.9 | -76.8 | 0 | 0 | 113.4 | ||||
| 356 | C | 24.3 | Very low | 29.3 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | 65.2 | 97.8 | 152.4 | -66.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 357 | A | 22.6 | Very low | 28.9 | Very low | 92 Ų | 92 | 144.7 Ų | 144.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -168.4 | 131.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 358 | L | 26.5 | Very low | 28.5 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | 70.3 | 145.4 | 63.4 | -75.6 | 178.6 | 0 | 0 | 0 | 114.5 | |||||
| 359 | E | 23.7 | Very low | 28.1 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | 72.7 | 146.9 | -175.6 | -53.8 | -171 | 178.4 | 0 | 0 | 115.9 | ||||
| 360 | L | 24.3 | Very low | 28 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | cis | -178.6 | 149.3 | -40.9 | -112.6 | 168.8 | 0 | 0 | 0 | 106.8 | ||||
| 361 | S | 22.5 | Very low | 27.8 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | 60 | 152.5 | 166.7 | 56.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 362 | D | 25.2 | Very low | 27.7 | Very low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | cis | -163.5 | -169.2 | -24.3 | -97 | -34.4 | 0 | 0 | 0 | 108.2 | ||||
| 363 | D | 31.1 | Very low | 28.2 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | 77.5 | 83.9 | 163.4 | -60.8 | -30.2 | 0 | 0 | 0 | 119.9 | ||||
| 364 | E | 31.7 | Very low | 29.2 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | 5 | 152.5 | 116.1 | -77.2 | -66.2 | 123.8 | 0 | 0 | 118.7 | E366 | E364-E366 PolarHBondContact OE2-N 3.04Š| |||
| 365 | P | 43.3 | Very low | 29.6 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | -152.1 | 169.1 | 46.2 | 43.1 | -22.4 | 0 | 0 | 0 | 121.5 | ||||
| 366 | E | 26.9 | Very low | 29.4 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | 79.3 | 112 | 142.1 | -90.9 | -177.4 | -150.3 | 0 | 0 | 121.4 | E364 | E364-E366 PolarHBondContact OE2-N 3.04Š| ||
| 367 | G | 27.9 | Very low | 30.2 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | trans | 119.7 | 117.1 | 144.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 368 | Q | 29.6 | Very low | 30.3 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | cis | -160.6 | 150.9 | -6.3 | -142.8 | 168.4 | 21 | 0 | 0 | 110.6 | ||||
| 369 | S | 25.3 | Very low | 30.4 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | trans | 13 | 137.9 | 154.7 | 61.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 370 | D | 31.4 | Very low | 30.5 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | cis | -163.3 | 143.1 | 13.4 | -127.8 | 11.1 | 0 | 0 | 0 | 112.6 | ||||
| 371 | K | 31.7 | Very low | 30.9 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 67% | 0.67 | 74% | 0.736 | S | S | * | * | trans | 54.2 | 141.4 | 133.4 | -73.5 | -174.5 | -167.9 | 74.5 | 0 | 120.3 | ||||
| 372 | D | 29.3 | Very low | 31.5 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | cis | 142.6 | 163.9 | 2.6 | -106.6 | -3.5 | 0 | 0 | 0 | 106 | ||||
| 373 | P | 41.8 | Very low | 32.7 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | cis | -127.6 | -107.3 | -42.5 | 30.6 | -9.1 | 0 | 0 | 0 | 113.8 | ||||
| 374 | P | 45.8 | Very low | 32.7 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | -141.4 | -175.7 | -111.3 | 41.6 | -20.1 | 0 | 0 | 0 | 118.2 | |||||
| 375 | V | 28.8 | Very low | 32.8 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | trans | 75.8 | 144.8 | 133.4 | 144.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 376 | N | 25 | Very low | 32.5 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | 81.2 | 160.2 | 158.6 | -86.4 | -1.7 | 0 | 0 | 0 | 120.5 | ||||
| 377 | P | 39.6 | Very low | 32.7 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -126.5 | -163.8 | -142.9 | 46 | -33.1 | 0 | 0 | 0 | 114.8 | ||||
| 378 | S | 25 | Very low | 32.8 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 85.6 | 126.3 | 161.6 | -60.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 379 | E | 28 | Very low | 32.8 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | 61.1 | 126.9 | 137.9 | -64.4 | -167 | 106.2 | 0 | 0 | 123.8 | ||||
| 380 | Q | 27.5 | Very low | 33 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | 83.7 | 157.4 | 141.5 | -70 | -179.8 | 32.2 | 0 | 0 | 122.4 | ||||
| 381 | Q | 32.2 | Very low | 32.8 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -85.8 | 179.3 | -172 | -55 | 148.2 | -104.6 | 0 | 0 | 111 | ||||
| 382 | E | 34.6 | Very low | 32.7 | Very low | 165 Ų | 165 | 126.5 Ų | 126.5 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | cis | -153.3 | -160 | 5.2 | -148.2 | 145.5 | -120.6 | 0 | 0 | 112.4 | ||||
| 383 | Q | 49.6 | Very low | 32.7 | Very low | 186 Ų | 186 | 125.7 Ų | 125.7 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | trans | -99.1 | 151.4 | -166.1 | -58.1 | 172.3 | -13.6 | 0 | 0 | 115.3 | ||||
| 384 | A | 31.3 | Very low | 32.2 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | trans | -154.4 | 166.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 385 | H | 35.2 | Very low | 31.8 | Very low | 177 Ų | 177 | 126.7 Ų | 126.7 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | trans | -118.5 | 156.2 | -157.5 | -92.3 | -88.4 | 0 | 0 | 0 | 116.7 | ||||
| 386 | V | 36.1 | Very low | 32.1 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | 67.7 | 146.4 | 145.3 | 167.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 387 | G | 30.5 | Very low | 32.3 | Very low | 55 Ų | 55 | 126.7 Ų | 126.7 | 57% | 0.567 | 76% | 0.763 | S | S | * | * | cis | 160.7 | 168.5 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 388 | S | 30.8 | Very low | 31.8 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | -168.1 | 154.9 | 168.1 | -87.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 389 | S | 29.9 | Very low | 32.1 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 92% | 0.923 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 60 | 87.9 | -168 | -64.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 390 | S | 28.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | S | Bend | cis | -105.6 | 145.3 | 11.7 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 391 | S | 28.7 | Very low | 32.2 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 51.3 | 116.2 | 160.7 | 59.2 | 0 | 0 | 0 | 0 | 119.3 | ||
| 392 | G | 29.5 | Very low | 31.8 | Very low | 65 Ų | 65 | 125.1 Ų | 125.1 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | 131.2 | 67 | 158 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 393 | T | 28.9 | Very low | 31.5 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | trans | -59.3 | 152.9 | 174 | 46.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 394 | C | 31.3 | Very low | 30.4 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | 80.9 | 147.7 | 164.7 | -57.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 395 | S | 36.8 | Very low | 30.3 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | -170.3 | 142.3 | -15.7 | -179.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 396 | S | 36.4 | Very low | 29.8 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | 54.9 | 131.2 | 143.6 | 62.9 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 397 | H | 28.6 | Very low | 29.5 | Very low | 175 Ų | 175 | 122.1 Ų | 122.1 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | 78.4 | 146.8 | 137.5 | -83 | -58.6 | 0 | 0 | 0 | 124.5 | ||||
| 398 | Y | 29.3 | Very low | 29.3 | Very low | 220 Ų | 220 | 125.3 Ų | 125.3 | 86% | 0.863 | 74% | 0.743 | S | S | * | * | trans | 66.5 | 163.2 | 161.5 | -96.1 | -119.3 | 0 | 0 | 0 | 117.7 | ||||
| 399 | S | 31.3 | Very low | 29.3 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | cis | -172.7 | 164.9 | -43.4 | -162.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 400 | S | 31.1 | Very low | 29.4 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | trans | 44.2 | 123.1 | 144.2 | -59.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 401 | C | 25.5 | Very low | 29.4 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | 73.9 | 142.2 | 124.2 | -61.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 402 | E | 24.8 | Very low | 29.5 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | 70.7 | 152.4 | 132.6 | -72.8 | 169.1 | 121.3 | 0 | 0 | 123.6 | ||||
| 403 | S | 27.7 | Very low | 30.1 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | 71.9 | 101 | 149.6 | 58.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 404 | D | 25.9 | Very low | 30.3 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | 58 | 136.2 | 102.6 | -62.6 | -2.4 | 0 | 0 | 0 | 122.7 | |||||
| 405 | H | 29 | Very low | 30.4 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 68% | 0.676 | 74% | 0.737 | S | S | * | * | trans | 38.5 | 124.3 | 137.4 | -59.4 | -55.2 | 0 | 0 | 0 | 120.9 | T407 | H405-T407 HydrophobicContact CB-CG2 4.41Š| ||
| 406 | Y | 26 | Very low | 30 | Very low | 238 Ų | 238 | 136.2 Ų | 136.2 | 93% | 0.933 | 75% | 0.747 | S | S | * | * | trans | -110.9 | 89.6 | 132.8 | -127 | -87.7 | 0 | 0 | 0 | 111.4 | ||||
| 407 | T | 28.4 | Very low | 29.6 | Very low | 87 Ų | 87 | 143.3 Ų | 143.3 | 53% | 0.534 | 76% | 0.759 | S | S | . | * | trans | -75.7 | 147.1 | 158.7 | 48.1 | 0 | 0 | 0 | 0 | 110.3 | H405 | H405-T407 HydrophobicContact CB-CG2 4.41Š| ||
| 408 | S | 28.1 | Very low | 29.6 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -124.9 | 105.7 | 149.7 | 48.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 409 | C | 29.3 | Very low | 29.8 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | trans | -113.4 | 141.4 | -178.7 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 410 | L | 32.8 | Very low | 29.6 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | -153 | 130.6 | 151.9 | -67.5 | -178.6 | 0 | 0 | 0 | 105 | ||||
| 411 | D | 28.1 | Very low | 29.6 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -146.8 | 172.7 | -0.7 | -89.9 | -46.2 | 0 | 0 | 0 | 111 | ||||
| 412 | A | 31.3 | Very low | 30.4 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -133.8 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 413 | P | 41.3 | Very low | 30.5 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | cis | -127.3 | -169.4 | 14.9 | 31.1 | -5.2 | 0 | 0 | 0 | 112.7 | ||||
| 414 | V | 33.1 | Very low | 30.4 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | -164.8 | 142.7 | 55.2 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 415 | P | 34 | Very low | 30.6 | Very low | 112 Ų | 112 | 151 Ų | 151 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -117.2 | 153.1 | 175.9 | 39.7 | -30.8 | 0 | 0 | 0 | 116.5 | ||||
| 416 | R | 28 | Very low | 30.5 | Very low | 240 Ų | 240 | 153.3 Ų | 153.3 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -142.3 | 111.4 | 150 | -75.1 | -169.7 | 174.3 | -168.6 | -1.8 | 107.6 | ||||
| 417 | R | 27.3 | Very low | 30.5 | Very low | 241 Ų | 241 | 147 Ų | 147 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | 68.5 | 97.7 | 80.7 | -78 | -166.7 | 175.6 | -171.8 | -0.5 | 114.7 | |||||
| 418 | H | 29.6 | Very low | 30.4 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | -96.9 | 138 | 140 | -77.5 | -88.1 | 0 | 0 | 0 | 108.4 | ||||
| 419 | P | 33.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -96.4 | 169.5 | 176.3 | 37.3 | -33.9 | 0 | 0 | 0 | 113.2 | ||||
| 420 | V | 25.8 | Very low | 30.2 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 76% | 0.758 | 81% | 0.814 | S | S | * | * | trans | -146.2 | 117.4 | -170.7 | 139.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 421 | F | 32.3 | Very low | 30 | Very low | 198 Ų | 198 | 151.9 Ų | 151.9 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | 57.6 | -175.9 | 157.7 | -68 | -106.6 | 0 | 0 | 0 | 116.3 | ||||
| 422 | P | 42 | Very low | 29.8 | Very low | 104 Ų | 104 | 155.9 Ų | 155.9 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | cis | -133.6 | 177.5 | -6.4 | 43.4 | -26.9 | 0 | 0 | 0 | 117.1 | ||||
| 423 | L | 26.6 | Very low | 29.6 | Very low | 146 Ų | 146 | 157.7 Ų | 157.7 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | 63.5 | 146.6 | 143.4 | -75.9 | 163.3 | 0 | 0 | 0 | 125.7 | ||||
| 424 | E | 26.6 | Very low | 29 | Very low | 160 Ų | 160 | 160.7 Ų | 160.7 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | 79.6 | 123 | 145.5 | -80.4 | 160.6 | -148 | 0 | 0 | 125.8 | ||||
| 425 | E | 28.7 | Very low | 28.8 | Very low | 193 Ų | 193 | 162 Ų | 162 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | 56.7 | 167.5 | 144.1 | -63.8 | -158.5 | 152 | 0 | 0 | 124.7 | ||||
| 426 | E | 26.7 | Very low | 28.3 | Very low | 194 Ų | 194 | 162 Ų | 162 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -97.4 | 154.4 | -165.6 | -53.7 | -171.9 | 158.2 | 0 | 0 | 113.9 | ||||
| 427 | A | 26.9 | Very low | 28.4 | Very low | 105 Ų | 105 | 155 Ų | 155 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -161.1 | 158.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 428 | E | 25.3 | Very low | 28.4 | Very low | 186 Ų | 186 | 149.4 Ų | 149.4 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -91.1 | 179.6 | -177.4 | -56.2 | 179.6 | 104.4 | 0 | 0 | 114.4 | ||||
| 429 | S | 27.4 | Very low | 28.3 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | 90.6 | 102.6 | 145.2 | 75.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 430 | D | 26.2 | Very low | 28.1 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | 69.2 | 160.7 | 116.3 | -135.2 | -18 | 0 | 0 | 0 | 123 | |||||
| 431 | T | 28.8 | Very low | 28.1 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 70.7 | 121.3 | 179.6 | 71.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 432 | R | 24.4 | Very low | 27.8 | Very low | 231 Ų | 231 | 143.1 Ų | 143.1 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | 67.9 | 94.7 | 57.9 | -78.4 | -175.3 | 159.3 | 179.6 | -1.8 | 115.6 | |||||
| 433 | T | 27.2 | Very low | 27.1 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | -174.8 | 136.4 | 114.2 | 27.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 434 | K | 28.3 | Very low | 27.3 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | 60.5 | 121.3 | 81.5 | -119.7 | -176.1 | -175.2 | -169.2 | 0 | 110.9 | |||||
| 435 | Q | 28.3 | Very low | 27.4 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | cis | -162.8 | 176.4 | 47.3 | -82 | 178 | -103.3 | 0 | 0 | 108.5 | ||||
| 436 | D | 24.9 | Very low | 27.5 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | cis | -163 | 131.3 | -16.4 | -95.9 | -3.8 | 0 | 0 | 0 | 105 | ||||
| 437 | S | 28.3 | Very low | 27.4 | Very low | 93 Ų | 93 | 143 Ų | 143 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | 63.4 | 120.2 | 79.8 | 81 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 438 | T | 27.6 | Very low | 27.6 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | -171.3 | 109.8 | 149.5 | 13.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 439 | D | 28 | Very low | 28.1 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | 87 | 143.6 | 76.6 | -74.3 | -15 | 0 | 0 | 0 | 112.6 | |||||
| 440 | S | 30.3 | Very low | 28.2 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | cis | -165.9 | 175.5 | -12.4 | -114.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 441 | E | 25.7 | Very low | 28.4 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | cis | -148.4 | 139 | 6.2 | -120.3 | -153.6 | 97.2 | 0 | 0 | 106.8 | ||||
| 442 | S | 25.5 | Very low | 28.4 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | 80.5 | 174.6 | 93.6 | 97.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 443 | E | 28.4 | Very low | 28.5 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | -122.9 | -175.4 | -152.1 | -57.7 | -172.2 | 103.2 | 0 | 0 | 117.2 | ||||
| 444 | L | 29.2 | Very low | 28.5 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 89.4 | 114.6 | 148.7 | -67.4 | 152.1 | 0 | 0 | 0 | 120.7 | ||||
| 445 | K | 29.6 | Very low | 28.5 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | 178.4 | 110.2 | 109.6 | -92.6 | 150.3 | -169.2 | 158.2 | 0 | 117.1 | |||||
| 446 | K | 29.9 | Very low | 28.3 | Very low | 211 Ų | 211 | 136.2 Ų | 136.2 | 92% | 0.917 | 73% | 0.729 | S | S | * | * | 63.9 | 118.4 | 113 | -163.4 | 177.4 | -173.7 | 177 | 0 | 123.3 | |||||
| 447 | G | 25.7 | Very low | 28.5 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | trans | 113.8 | 157.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 448 | D | 31.4 | Very low | 29.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | cis | -169.4 | 136.5 | -16.7 | -158.3 | 13.9 | 0 | 0 | 0 | 113.2 | ||||
| 449 | K | 34.8 | Very low | 29.2 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | 73.2 | 152.5 | 156.1 | -76.8 | 157.1 | -170.5 | 134.1 | 0 | 127.1 | ||||
| 450 | N | 28.9 | Very low | 29.4 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | 71.9 | 122 | 167.1 | -63.6 | -8.6 | 0 | 0 | 0 | 119.2 | ||||
| 451 | M | 32.2 | Very low | 29.2 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | cis | 89.4 | 134 | 42.5 | -71.6 | -125.9 | 81.2 | 0 | 0 | 113.6 | R453 | M451-R453 HydrophobicContact CE-CB 4.35Š| ||
| 452 | L | 28.5 | Very low | 29.3 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | cis | -125 | 152.5 | 8.7 | -70.6 | 90.5 | 0 | 0 | 0 | 111.1 | ||||
| 453 | R | 26.3 | Very low | 29.3 | Very low | 178 Ų | 178 | 151.3 Ų | 151.3 | 67% | 0.672 | 77% | 0.767 | S | S | * | * | 73.5 | 128 | 57.5 | -138.3 | -169.2 | 163.1 | 149.5 | 1 | 112.3 | M451 | M451-R453 HydrophobicContact CE-CB 4.35Š| |||
| 454 | V | 27.4 | Very low | 29.1 | Very low | 111 Ų | 111 | 149 Ų | 149 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | -157.8 | 127 | 54.9 | 166.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 455 | Q | 26.6 | Very low | 29 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 62% | 0.621 | 77% | 0.768 | S | S | * | * | 42 | 152.6 | 127.9 | -45.5 | 176.1 | -98.6 | 0 | 0 | 121.3 | |||||
| 456 | A | 25 | Very low | 29.1 | Very low | 81 Ų | 81 | 147.4 Ų | 147.4 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -150 | 135.3 | 16.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 457 | E | 28.9 | Very low | 29.5 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | 85 | 149.6 | 97.1 | -65.7 | -73.2 | 125.7 | 0 | 0 | 115.7 | |||||
| 458 | P | 45.2 | Very low | 29.6 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | cis | -143.4 | 158.7 | -45.4 | 38.9 | -21.6 | 0 | 0 | 0 | 117.4 | ||||
| 459 | N | 26.3 | Very low | 29.3 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | 55.9 | 160.2 | 144.2 | -76.4 | -4.2 | 0 | 0 | 0 | 125.5 | ||||
| 460 | R | 32.2 | Very low | 28.9 | Very low | 232 Ų | 232 | 141 Ų | 141 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | trans | -103 | 150.2 | 178.2 | -59.4 | 166.5 | 169 | 161.6 | -7 | 110.7 | ||||
| 461 | E | 24.3 | Very low | 28.8 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | -177.2 | 154.7 | 113.3 | -98.7 | 166.5 | -161.7 | 0 | 0 | 108.3 | |||||
| 462 | S | 29.3 | Very low | 28.6 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -157.2 | 117.4 | -176 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 463 | E | 25.4 | Very low | 28.5 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -102.5 | 154.1 | 176.2 | -64.7 | -175.6 | 106.6 | 0 | 0 | 112.5 | ||||
| 464 | T | 24.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 70.9 | 166.2 | 140 | 57.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 465 | V | 26.9 | Very low | 28.6 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | 92.5 | 127.8 | 157.3 | -139.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 466 | Q | 31.3 | Very low | 28.5 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -87.4 | -165 | 169.7 | -95.2 | -173 | 11 | 0 | 0 | 109.6 | ||||
| 467 | P | 38.6 | Very low | 28.6 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | cis | -148.6 | 176.1 | 16.5 | 46.1 | -25.2 | 0 | 0 | 0 | 120.1 | ||||
| 468 | L | 26.3 | Very low | 28.4 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 39.2 | 131.1 | 141.4 | -71.4 | 165.7 | 0 | 0 | 0 | 124.5 | ||||
| 469 | S | 26.7 | Very low | 27.6 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 83.3 | 114.5 | 130.4 | 67.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 470 | G | 25.4 | Very low | 27.6 | Very low | 73 Ų | 73 | 145.3 Ų | 145.3 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | 80.9 | 123.6 | 122.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 471 | L | 26.2 | Very low | 27.2 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | -166.4 | 176.8 | 120.5 | -135.2 | 84.6 | 0 | 0 | 0 | 113.3 | |||||
| 472 | L | 29.3 | Very low | 27.3 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -92.5 | -176.1 | 174.9 | -77.6 | 91.1 | 0 | 0 | 0 | 113.2 | ||||
| 473 | D | 27.1 | Very low | 27.2 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | trans | 80.2 | 101.1 | 153.2 | -60.5 | -28 | 0 | 0 | 0 | 120.7 | ||||
| 474 | K | 28.8 | Very low | 27.5 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | -172.9 | 134.2 | 102.6 | -89.9 | 143.2 | -168.6 | 168.3 | 0 | 109.5 | |||||
| 475 | L | 25.6 | Very low | 27.6 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | 71.3 | 127.4 | 54.4 | -73.9 | 173.8 | 0 | 0 | 0 | 115.2 | |||||
| 476 | T | 25.3 | Very low | 27.6 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | 54 | 106.2 | 154.6 | 55.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 477 | L | 25.8 | Very low | 27.5 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 97% | 0.974 | 75% | 0.745 | S | S | * | * | trans | -102.1 | 129 | 139.8 | -86.5 | 170 | 0 | 0 | 0 | 108.7 | ||||
| 478 | S | 24.9 | Very low | 26.9 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | trans | -149.1 | 149.3 | 176 | 57.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 479 | E | 28.3 | Very low | 26.8 | Very low | 143 Ų | 143 | 140 Ų | 140 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | trans | 74.7 | 129.6 | 166.1 | -64 | -144.9 | 120.5 | 0 | 0 | 119.8 | ||||
| 480 | K | 26.1 | Very low | 26.8 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | trans | 69.6 | 158.1 | 134.2 | -67.8 | 172.2 | -179.3 | 151.2 | 0 | 118.9 | ||||
| 481 | Q | 25.4 | Very low | 26.8 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 59% | 0.593 | 75% | 0.749 | S | S | * | * | cis | -158.3 | 157.7 | -25 | -119.8 | 169.5 | -59.8 | 0 | 0 | 108.6 | ||||
| 482 | H | 25.6 | Very low | 26.7 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | trans | 168.4 | 133.7 | 137.4 | -83.1 | -53.1 | 0 | 0 | 0 | 106.2 | ||||
| 483 | E | 28.2 | Very low | 26.4 | Very low | 130 Ų | 130 | 139 Ų | 139 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | 71.6 | 132 | 50.1 | -62.5 | 176 | 162 | 0 | 0 | 111.8 | |||||
| 484 | E | 30.5 | Very low | 26.3 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | cis | -161.2 | -165.6 | -1.8 | -136.6 | -161.6 | 160 | 0 | 0 | 112.1 | ||||
| 485 | T | 27.3 | Very low | 26.1 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | 88.2 | 137.2 | 161.1 | 75.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 486 | A | 27.8 | Very low | 26.2 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -152.7 | -150.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 487 | I | 29 | Very low | 26.2 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | trans | 75 | 130.9 | 177.1 | -36.2 | 168.6 | 0 | 0 | 0 | 110.8 | ||||
| 488 | L | 25.5 | Very low | 26.2 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | cis | -127.7 | 138.1 | 25.3 | -73.7 | 160.8 | 0 | 0 | 0 | 111.4 | ||||
| 489 | K | 24.7 | Very low | 26.3 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | 52.8 | 144.4 | 92.7 | -64.3 | -175.2 | 179.8 | 176.3 | 0 | 117.5 | |||||
| 490 | A | 25.6 | Very low | 26.3 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | cis | -179.5 | 144.1 | -21.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 491 | S | 24.9 | Very low | 26.3 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 178.4 | 130.2 | 150.3 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 492 | F | 24.1 | Very low | 26.4 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | 77.5 | 126.3 | 53.4 | -96.4 | -78.1 | 0 | 0 | 0 | 116.5 | |||||
| 493 | G | 24.4 | Very low | 26.3 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 92.7 | 113 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 494 | S | 25.3 | Very low | 26.1 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | cis | 81.4 | 117.9 | 33.7 | -165.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 495 | F | 23.6 | Very low | 25.8 | Very low | 211 Ų | 211 | 136.5 Ų | 136.5 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -149.5 | 156.4 | 153.1 | -107.3 | -77.8 | 0 | 0 | 0 | 111.9 | ||||
| 496 | L | 27.3 | Very low | 25.7 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | -100.7 | 170.2 | -168.6 | -75.4 | 152.5 | 0 | 0 | 0 | 111 | ||||
| 497 | S | 25.6 | Very low | 25.7 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | cis | -177.1 | 157 | -10.1 | 46.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 498 | T | 27.1 | Very low | 25.5 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 37.9 | 138.4 | 147.3 | 61.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 499 | A | 26.6 | Very low | 25.5 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | -179.8 | 160.6 | 61 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 500 | R | 27 | Very low | 25.5 | Very low | 238 Ų | 238 | 138.2 Ų | 138.2 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | 42.7 | 110.1 | 145.9 | -68.4 | 179.3 | 177.4 | 171.6 | -0.3 | 123 | ||||
| 501 | K | 27.5 | Very low | 25.4 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | 51.7 | 132.7 | 106.5 | -150 | -162.1 | -180 | -173 | 0 | 121.8 | |||||
| 502 | L | 26.5 | Very low | 25.4 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | 115.9 | 123 | 150.7 | -65.7 | 174 | 0 | 0 | 0 | 117.9 | ||||
| 503 | D | 23.2 | Very low | 25.5 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 27.1 | 133.1 | 140.8 | -45.8 | -23.6 | 0 | 0 | 0 | 122.6 | ||||
| 504 | G | 24.9 | Very low | 25.6 | Very low | 68 Ų | 68 | 141.8 Ų | 141.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | 145.7 | 103.7 | 119.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 505 | V | 25 | Very low | 25.6 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | 69.7 | 117.2 | 125.7 | 178.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 506 | R | 25.2 | Very low | 25.6 | Very low | 215 Ų | 215 | 136.9 Ų | 136.9 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | 71.6 | 157.7 | 152.1 | -72.2 | 171.9 | -175.5 | -169.8 | 2.9 | 118.3 | ||||
| 507 | Q | 26.7 | Very low | 25.6 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | cis | -154.5 | 147.5 | -3.4 | -135.1 | 161.8 | -36.7 | 0 | 0 | 113.6 | ||||
| 508 | G | 25.4 | Very low | 25.6 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | 71.9 | 170.2 | 158 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 509 | A | 25.7 | Very low | 25.5 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | cis | -173.7 | 132.8 | -28.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 510 | E | 23.9 | Very low | 25.5 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | 62.9 | 142.5 | 173.4 | -68.3 | 171.4 | -158.4 | 0 | 0 | 116.4 | ||||
| 511 | S | 23.4 | Very low | 25.4 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | cis | -155.5 | 168.9 | -8 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 512 | S | 24.7 | Very low | 25.5 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 85 | 148.9 | 153.3 | -50.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 513 | E | 25.6 | Very low | 25.6 | Very low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 81.9 | 122.4 | 162.9 | -64.6 | -168.2 | 165.1 | 0 | 0 | 123.3 | ||||
| 514 | E | 26.8 | Very low | 26.1 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | 72.8 | 134.3 | 143.1 | -68 | -135 | 143.7 | 0 | 0 | 125.9 | ||||
| 515 | N | 25.2 | Very low | 26.5 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 64.9 | 141.7 | 141.7 | -86.4 | -53.1 | 0 | 0 | 0 | 122.4 | ||||
| 516 | G | 25.1 | Very low | 26.7 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 155.1 | 36.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 517 | G | 26.2 | Very low | 27.1 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 56.8 | 110.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 518 | L | 25.5 | Very low | 27.5 | Very low | 176 Ų | 176 | 127.1 Ų | 127.1 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -104.6 | 140.6 | 155.1 | -78.9 | 172 | 0 | 0 | 0 | 110.6 | ||||
| 519 | Q | 26 | Very low | 27.8 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -82.9 | 142 | -177.4 | -59.1 | 163.2 | -41.7 | 0 | 0 | 111 | ||||
| 520 | F | 26.3 | Very low | 28.2 | Very low | 198 Ų | 198 | 138 Ų | 138 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -142 | 130.9 | 154.2 | -91.1 | -69.7 | 0 | 0 | 0 | 113.6 | ||||
| 521 | T | 25.2 | Very low | 28.6 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 141.7 | 178.5 | 49.7 | 0 | 0 | 0 | 0 | 117.1 | ||
| 522 | P | 29.8 | Very low | 28.9 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 155.1 | 158.1 | 35.2 | -33 | 0 | 0 | 0 | 112 | ||
| 523 | S | 27.8 | Very low | 29.1 | Very low | 83 Ų | 83 | 147.8 Ų | 147.8 | 58% | 0.58 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 155.3 | 175.1 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 524 | P | 34.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 141.2 | -169.3 | 32.3 | -35.4 | 0 | 0 | 0 | 114.1 | ||
| 525 | F | 31.4 | Very low | 29.3 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | trans | -106.6 | 129.2 | 161 | -83.5 | -78.8 | 0 | 0 | 0 | 110.2 | R1119 | F525-R1119 VanDerWaalsContact CZ-CZ 3.44Š| ||
| 526 | V | 29.4 | Very low | 29.4 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 119.7 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 527 | T | 34.1 | Very low | 29.5 | Very low | 83 Ų | 83 | 152.8 Ų | 152.8 | 51% | 0.509 | 82% | 0.822 | S | S | . | * | P | Polyproline II helix | trans | -77.5 | 139.2 | 167.9 | 46.8 | 0 | 0 | 0 | 0 | 110.9 | A1126 | T527-A1126 HydrophobicContact CG2-CB 3.9Š|
| 528 | G | 34.4 | Very low | 29.5 | Very low | 73 Ų | 73 | 154.3 Ų | 154.3 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 152.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 529 | R | 33 | Very low | 29.6 | Very low | 247 Ų | 247 | 154 Ų | 154 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | -116.3 | 108.2 | 166.3 | -81.4 | -177.4 | 168.8 | 138.6 | -2.5 | 110.2 | ||||
| 530 | T | 34.4 | Very low | 29.7 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -89.4 | 128.4 | 156.2 | 42.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 531 | R | 31.9 | Very low | 29.8 | Very low | 252 Ų | 252 | 152.2 Ų | 152.2 | 95% | 0.951 | 81% | 0.81 | S | S | * | * | trans | -93.5 | 136 | 167.5 | -84.9 | -175.6 | 164.7 | -167.1 | -3.9 | 108.9 | ||||
| 532 | S | 28.5 | Very low | 29.9 | Very low | 122 Ų | 122 | 151.9 Ų | 151.9 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -116.4 | 151.9 | 151.5 | -168.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 533 | R | 28.9 | Very low | 29.9 | Very low | 239 Ų | 239 | 157 Ų | 157 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -97 | 146.6 | 176.5 | -74.5 | 174.1 | 162.7 | 174.6 | -7.2 | 109.6 | ||||
| 534 | L | 29.4 | Very low | 30 | Very low | 183 Ų | 183 | 160.4 Ų | 160.4 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | trans | -156 | 168.6 | 137.8 | -112.3 | 173 | 0 | 0 | 0 | 110 | ||||
| 535 | S | 27.6 | Very low | 30.5 | Very low | 114 Ų | 114 | 159.3 Ų | 159.3 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -104.6 | -178.4 | -155.7 | -158 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 536 | R | 28.6 | Very low | 30.3 | Very low | 236 Ų | 236 | 161 Ų | 161 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | trans | -69.7 | 152.7 | -174.9 | -65.2 | 167.3 | 163.6 | 151.3 | -8.7 | 113.8 | ||||
| 537 | C | 26.8 | Very low | 30.2 | Very low | 136 Ų | 136 | 158.8 Ų | 158.8 | 92% | 0.919 | 82% | 0.82 | S | S | * | * | trans | -137.2 | 145.4 | 146.2 | -83.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 538 | S | 26.5 | Very low | 30 | Very low | 113 Ų | 113 | 160.8 Ų | 160.8 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | trans | -89.8 | 165.2 | 174.7 | -87 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 539 | M | 27.2 | Very low | 29.7 | Very low | 168 Ų | 168 | 165.1 Ų | 165.1 | 83% | 0.828 | 84% | 0.837 | S | S | * | * | cis | -167.4 | 169.6 | 3.8 | -119.8 | -90.5 | -155 | 0 | 0 | 110.2 | ||||
| 540 | R | 27.6 | Very low | 29.3 | Very low | 217 Ų | 217 | 159.4 Ų | 159.4 | 82% | 0.819 | 83% | 0.83 | S | S | * | * | trans | 113.9 | 115.9 | 151.8 | -60.5 | -162.1 | 170.5 | 167.3 | -1.1 | 121.2 | ||||
| 541 | T | 28.8 | Very low | 28.9 | Very low | 125 Ų | 125 | 159 Ų | 159 | 77% | 0.767 | 83% | 0.828 | S | S | * | * | trans | 72.9 | 104.1 | 133.8 | 56.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 542 | S | 28 | Very low | 28.6 | Very low | 116 Ų | 116 | 152 Ų | 152 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | 123.7 | 125.2 | 110.8 | 72.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 543 | R | 28.5 | Very low | 28.5 | Very low | 237 Ų | 237 | 151.1 Ų | 151.1 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | 34.6 | 108.1 | 153.4 | -73.4 | -179.8 | 166.4 | 167.6 | -4.8 | 122.5 | ||||
| 544 | N | 29.2 | Very low | 28.5 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | 42.2 | 156.3 | 113.3 | -79.9 | 37.2 | 0 | 0 | 0 | 123.4 | |||||
| 545 | P | 45.6 | Very low | 28.3 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | cis | -141.7 | 178 | -18.9 | 40.6 | -22.5 | 0 | 0 | 0 | 116.3 | ||||
| 546 | E | 27.3 | Very low | 28.3 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 61.5 | 142.9 | 160.4 | -70.7 | -173.4 | -146.1 | 0 | 0 | 119.3 | ||||
| 547 | S | 28.6 | Very low | 28.3 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | cis | -154.9 | -160.6 | -13.1 | 46 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 548 | V | 28.2 | Very low | 28.4 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | cis | -159.5 | -179.1 | 18.8 | -131.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 549 | L | 28.6 | Very low | 28.6 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 64.3 | 89.2 | 162.9 | -66.8 | -177.2 | 0 | 0 | 0 | 119.6 | ||||
| 550 | T | 24.4 | Very low | 28.8 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -79.4 | 144.8 | 157.7 | -44.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 551 | T | 26 | Very low | 28.7 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -139.1 | 118.2 | 163.1 | 54.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 552 | S | 25.5 | Very low | 28.7 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -164.4 | 153.8 | 175.5 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 553 | S | 27.1 | Very low | 28.7 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | 79.9 | 109 | 171.2 | -156.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 554 | L | 28.1 | Very low | 28.6 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -158.3 | 98.8 | 149.4 | -114.1 | 162 | 0 | 0 | 0 | 107.4 | ||||
| 555 | F | 27.1 | Very low | 28.6 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | 9.5 | 121.9 | 157.1 | -59.2 | -77.8 | 0 | 0 | 0 | 117.9 | ||||
| 556 | D | 26.1 | Very low | 27.7 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | 75.7 | 141.7 | 77.1 | -71.2 | -44.9 | 0 | 0 | 0 | 114.6 | |||||
| 557 | D | 29.2 | Very low | 27.8 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | 64.9 | 136.4 | 167.5 | -64.3 | -10.6 | 0 | 0 | 0 | 120.7 | ||||
| 558 | T | 29.7 | Very low | 27.8 | Very low | 106 Ų | 106 | 138 Ų | 138 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | cis | -161.6 | 165.3 | -10.2 | 19.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 559 | L | 29.7 | Very low | 27.7 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | 71.8 | 158 | 159.1 | -55.7 | -156.9 | 0 | 0 | 0 | 119.5 | ||||
| 560 | P | 31.4 | Very low | 27.9 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | cis | -135 | 148.3 | -46.9 | 36.9 | -22.3 | 0 | 0 | 0 | 113.5 | ||||
| 561 | T | 25.1 | Very low | 27.8 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | trans | -118.7 | 136.2 | 175.9 | 28.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 562 | P | 28.4 | Very low | 27.8 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -85.3 | 132.9 | -175.4 | 32.4 | -34.8 | 0 | 0 | 0 | 113.8 | R564 | P562-R564 PolarHBondContact O-N 2.93Š| ||
| 563 | V | 28.8 | Very low | 27.9 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | trans | -86.5 | 108.8 | 177.3 | 180 | 0 | 0 | 0 | 0 | 111.6 | R22 | R22-V563 PolarHBondContact NH2-O 3.41Š| ||
| 564 | R | 27.5 | Very low | 27.7 | Very low | 142 Ų | 142 | 141 Ų | 141 | 54% | 0.536 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -90.4 | 137.6 | 173.6 | -171.2 | 164.6 | -125.6 | 124.3 | 14.7 | 112.1 | P562 D961 Q962 | P562-R564 PolarHBondContact O-N 2.93Å; R564-D961 VanDerWaalsContact CZ-O 3.27Å; R564-D961 PolarHBondContact NE-O 3.02Å; R564-D961 VanDerWaalsContact NE-O 3.15Å; R564-D961 PolarHBondContact NH1-O 3.11Å; R564-Q962 VanDerWaalsContact NH2-OE1 3.09Å |
| 565 | M | 27.6 | Very low | 27.7 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 56% | 0.562 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 154.7 | 179.7 | -60.2 | -105.3 | -76 | 0 | 0 | 112.2 | R22 | R22-M565 VanDerWaalsContact CZ-CG 3.41Š|
| 566 | F | 27.3 | Very low | 27.6 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 146.7 | 154 | -103.1 | -102.9 | 0 | 0 | 0 | 110.5 | ||
| 567 | R | 29.6 | Very low | 27.7 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | trans | -139 | 140.3 | 158.3 | -123.8 | -172.2 | -172.2 | -156.4 | 3.2 | 109.8 | ||||
| 568 | Q | 28.4 | Very low | 27.5 | Very low | 179 Ų | 179 | 131.9 Ų | 131.9 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | trans | -85.1 | 167.2 | 173.6 | -64.4 | 164.4 | -16.3 | 0 | 0 | 110.1 | ||||
| 569 | T | 27 | Very low | 27.3 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 43% | 0.429 | 73% | 0.73 | S | S | . | * | trans | -126.4 | 127.9 | 176.1 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | I973 | T569-I973 HydrophobicContact CG2-CB 3.84Å; T569-I973 HydrophobicContact CG2-CD1 3.97Å; T569-I973 HydrophobicContact CG2-CG1 4.28Å; T569-I973 HydrophobicContact CG2-CG2 4.3Å | ||
| 570 | P | 30.8 | Very low | 27.1 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | trans | -91.4 | 167.5 | -177.9 | 35.6 | -35.6 | 0 | 0 | 0 | 115.1 | ||||
| 571 | R | 24.3 | Very low | 26.9 | Very low | 239 Ų | 239 | 134.9 Ų | 134.9 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | trans | -126.3 | 152.2 | 160.8 | -100.3 | -177.9 | 158.1 | 179.7 | -7.4 | 105.5 | ||||
| 572 | C | 24.8 | Very low | 27.5 | Very low | 94 Ų | 94 | 133 Ų | 133 | 64% | 0.635 | 72% | 0.719 | S | S | * | * | cis | -165.2 | 152 | -11.5 | -131.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 573 | Q | 27 | Very low | 27.4 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | trans | 59.9 | 122.7 | 147.3 | -72.2 | 171.2 | -34.9 | 0 | 0 | 123 | ||||
| 574 | S | 23.7 | Very low | 27.3 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | 56.2 | 146.9 | 137.8 | 58 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 575 | S | 27.3 | Very low | 27.3 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | cis | -123.4 | -178.3 | 10.3 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 576 | G | 25.4 | Very low | 27.1 | Very low | 56 Ų | 56 | 135.9 Ų | 135.9 | 58% | 0.577 | 74% | 0.742 | S | S | * | * | cis | 94.3 | 117.5 | 12 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 577 | H | 27.7 | Very low | 26.8 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | cis | -124.8 | 168 | -0.4 | -88.4 | -101.5 | 0 | 0 | 0 | 109.6 | ||||
| 578 | G | 25.8 | Very low | 26.7 | Very low | 63 Ų | 63 | 134.2 Ų | 134.2 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | 77.7 | 129 | 54.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 579 | F | 26.6 | Very low | 26.5 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | cis | -144.8 | 176.2 | 18.7 | -84.8 | -94.1 | 0 | 0 | 0 | 109.2 | ||||
| 580 | N | 24.9 | Very low | 26.4 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | -167.7 | 166.3 | 50.7 | -127.5 | -27.1 | 0 | 0 | 0 | 114.9 | |||||
| 581 | S | 26.8 | Very low | 26.1 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -84 | 158.5 | 168.2 | -162.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 582 | P | 37.8 | Very low | 26.2 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | -147.4 | -175.6 | 90.3 | 42.2 | -24.4 | 0 | 0 | 0 | 112.6 | |||||
| 583 | Y | 25.6 | Very low | 26.2 | Very low | 212 Ų | 212 | 139.7 Ų | 139.7 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | cis | -142.7 | 158.2 | 11.7 | -106.3 | -69.5 | 0 | 0 | 0 | 111.2 | ||||
| 584 | T | 26.4 | Very low | 26.4 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -97.6 | 152.1 | 146.3 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 585 | P | 28.4 | Very low | 26.4 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | -136 | 171.8 | 112.1 | 41.2 | -30.9 | 0 | 0 | 0 | 110.7 | |||||
| 586 | S | 22.8 | Very low | 26.4 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | cis | -151.3 | 166.7 | 23.7 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 587 | H | 22.7 | Very low | 26.4 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | -15.5 | 130.1 | 167 | -47.1 | -75.9 | 0 | 0 | 0 | 119.4 | ||||
| 588 | T | 26.3 | Very low | 26.5 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | -164.4 | 145.4 | 95.8 | 19.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 589 | S | 24 | Very low | 26.5 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -102.8 | 137.1 | -178.8 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 590 | R | 24.9 | Very low | 26.7 | Very low | 243 Ų | 243 | 145.3 Ų | 145.3 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | -133.8 | 128.3 | 147.5 | -81.6 | -167.4 | 174 | 167.2 | -0.1 | 110.8 | ||||
| 591 | H | 24.7 | Very low | 27 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | trans | -11.1 | 133.6 | 152.4 | -85.9 | -111 | 0 | 0 | 0 | 116.5 | ||||
| 592 | L | 26.7 | Very low | 28 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | cis | 63.6 | 102.1 | 46.1 | -172.5 | 79 | 0 | 0 | 0 | 113.2 | ||||
| 593 | E | 25.6 | Very low | 27.6 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -148.5 | 109.7 | 141.9 | -144.4 | 158 | -134 | 0 | 0 | 111.3 | ||||
| 594 | R | 30.2 | Very low | 27.7 | Very low | 229 Ų | 229 | 146.6 Ų | 146.6 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -82 | 128.5 | 149.1 | -178.2 | -171.3 | -161.6 | 174.6 | 6.2 | 104.4 | T596 | R594-T596 PolarHBondContact O-N 3.47Š| ||
| 595 | C | 24.6 | Very low | 28 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 69% | 0.689 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -58.4 | 135.5 | 178.8 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 596 | T | 27.1 | Very low | 28 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 60.1 | 137.4 | 157.4 | 51.5 | 0 | 0 | 0 | 0 | 118.9 | R594 | R594-T596 PolarHBondContact O-N 3.47Š| ||
| 597 | E | 25 | Very low | 28.2 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 61% | 0.607 | 76% | 0.761 | S | S | * | * | cis | -169.3 | 138.2 | -18.6 | -134.7 | -170.9 | 150.8 | 0 | 0 | 108.6 | ||||
| 598 | R | 29.9 | Very low | 29.5 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | trans | 56.5 | 168.2 | 161 | -67.5 | -169.7 | -179.8 | 96.2 | 24.1 | 117.7 | ||||
| 599 | D | 26.6 | Very low | 29.7 | Very low | 130 Ų | 130 | 148 Ų | 148 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | cis | -164.3 | 158.8 | -30.9 | -93.4 | -18.8 | 0 | 0 | 0 | 104.8 | ||||
| 600 | S | 29.9 | Very low | 30 | Very low | 89 Ų | 89 | 148 Ų | 148 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | cis | -173.6 | 167.4 | -21.2 | 59.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 601 | L | 30.8 | Very low | 30.4 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | trans | 82.2 | 152.6 | 161.2 | -58.1 | 170.6 | 0 | 0 | 0 | 121.3 | ||||
| 602 | P | 48.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | trans | -135.7 | -166.4 | -159.3 | 42.9 | -22.9 | 0 | 0 | 0 | 115.3 | ||||
| 603 | K | 28.2 | Very low | 31 | Very low | 178 Ų | 178 | 141 Ų | 141 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | trans | -176 | 142.5 | 143.8 | -105.5 | -169 | 173.3 | -165.4 | 0 | 116.5 | ||||
| 604 | D | 28.6 | Very low | 31 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | 41.1 | 148.8 | 129.2 | -53.2 | -12.4 | 0 | 0 | 0 | 122.3 | |||||
| 605 | S | 31.6 | Very low | 31 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | cis | 179.8 | 162.5 | -8.2 | 54.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 606 | Q | 28.8 | Very low | 32.3 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | 76.8 | 117.9 | 151 | -74.4 | 172.8 | -2.3 | 0 | 0 | 124.8 | ||||
| 607 | D | 26.9 | Very low | 32.5 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | 44.2 | 166.8 | 97.7 | -77.3 | 2.2 | 0 | 0 | 0 | 123.5 | |||||
| 608 | P | 51.3 | Low | 32.8 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | cis | -146.2 | -165.5 | -24.4 | 33.1 | -8.3 | 0 | 0 | 0 | 117.3 | ||||
| 609 | Q | 30.6 | Very low | 32.9 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 105.4 | 157.2 | 151.1 | -64 | -65.1 | -29.8 | 0 | 0 | 124.4 | ||||
| 610 | S | 29.8 | Very low | 33.1 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -158.5 | 152.5 | -168.1 | -46.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 611 | S | 32.2 | Very low | 33.3 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | 177.4 | 133 | 161.5 | 12.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 612 | T | 31.5 | Very low | 33.5 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | 76.1 | 149.4 | 76.2 | 54.8 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 613 | L | 32.4 | Very low | 32.5 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | cis | -166.2 | 179.6 | 5.7 | -124.2 | 179 | 0 | 0 | 0 | 115.4 | ||||
| 614 | T | 26.7 | Very low | 32.5 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | trans | 72.6 | 107.6 | 151.1 | 44.3 | 0 | 0 | 0 | 0 | 128.2 | ||||
| 615 | S | 29.5 | Very low | 32.5 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | 36.7 | 172.5 | 117.9 | 68 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 616 | P | 51.8 | Low | 32.4 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | cis | -146.5 | 178.5 | 3.6 | 43.9 | -23.7 | 0 | 0 | 0 | 121.4 | ||||
| 617 | S | 31.9 | Very low | 32.4 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 79.7 | 169.3 | 152.2 | 69.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 618 | V | 31 | Very low | 32.4 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | cis | -138.6 | -109.7 | 19.7 | -160.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 619 | S | 32.2 | Very low | 31.2 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | -152.9 | 154.9 | -156.4 | 70.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 620 | N | 29.8 | Very low | 31 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | 158.6 | -179.5 | 127.5 | -83.9 | -1.2 | 0 | 0 | 0 | 116.2 | |||||
| 621 | S | 34.3 | Very low | 30.9 | Very low | 95 Ų | 95 | 127.9 Ų | 127.9 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | -146.3 | 156 | -143.9 | 57.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 622 | Q | 34.8 | Very low | 30.6 | Very low | 190 Ų | 190 | 130.9 Ų | 130.9 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | 62.6 | 157 | 149.2 | -79 | -178.9 | -34.3 | 0 | 0 | 120 | ||||
| 623 | A | 28.1 | Very low | 30.4 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | cis | -167.5 | -174.7 | -12.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 624 | D | 27.7 | Very low | 30.1 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | trans | 87 | 167.7 | 154.6 | -65.7 | -14.6 | 0 | 0 | 0 | 123.7 | ||||
| 625 | T | 29.6 | Very low | 30 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | trans | -149.9 | 145.4 | -147.4 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | I627 | T625-I627 HydrophobicContact CG2-CD1 4.3Å; T625-I627 HydrophobicContact CG2-CG1 4.22Å | ||
| 626 | L | 30 | Very low | 29.8 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | trans | -143.2 | 163.6 | 167.2 | -86.9 | -179.8 | 0 | 0 | 0 | 113.2 | ||||
| 627 | I | 28.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | trans | -149 | 124.3 | -144.5 | -74.3 | 169.5 | 0 | 0 | 0 | 113.4 | T625 | T625-I627 HydrophobicContact CG2-CD1 4.3Å; T625-I627 HydrophobicContact CG2-CG1 4.22Å | ||
| 628 | L | 26.5 | Very low | 28.4 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | 64.8 | 168.9 | 155.3 | -56.5 | 168.8 | 0 | 0 | 0 | 118.5 | ||||
| 629 | H | 26.9 | Very low | 28.3 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | cis | -158.6 | 162.1 | -0.9 | -137.7 | -62.1 | 0 | 0 | 0 | 112.6 | ||||
| 630 | N | 26.5 | Very low | 28 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 82.2 | 150.9 | 141.3 | -95.6 | 5.9 | 0 | 0 | 0 | 126.4 | ||||
| 631 | S | 27.7 | Very low | 28 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | 69.8 | 147.3 | 157.2 | 59.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 632 | E | 26 | Very low | 27.7 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | cis | -167.9 | 178.5 | -31.4 | -153 | 156.4 | -139.8 | 0 | 0 | 108.8 | ||||
| 633 | T | 26.9 | Very low | 27.3 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | 64.4 | 118.8 | 162.3 | 56.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 634 | D | 24.6 | Very low | 27.3 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | 65.5 | 130.9 | 121.3 | -57 | -18 | 0 | 0 | 0 | 125.6 | |||||
| 635 | S | 25.1 | Very low | 27.5 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | 93.5 | 126 | 128.3 | 70.7 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 636 | V | 26.1 | Very low | 27.4 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 68 | 116.3 | 134.6 | 177 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 637 | E | 27.3 | Very low | 27.3 | Very low | 189 Ų | 189 | 134.3 Ų | 134.3 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | 27.4 | 114.8 | 141.4 | -51.5 | -173.7 | 143.7 | 0 | 0 | 120.3 | ||||
| 638 | G | 26 | Very low | 27.3 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | -154.1 | 104.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 639 | S | 28.9 | Very low | 27.3 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -88.8 | 132.6 | -170.2 | 53.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 640 | Q | 26.3 | Very low | 27.5 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -170.7 | 113.5 | 156 | -100.5 | 140.2 | 91.7 | 0 | 0 | 107 | ||||
| 641 | S | 29.7 | Very low | 27.5 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | 65.2 | 90.8 | 66.1 | 80.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 642 | L | 28.2 | Very low | 27.9 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | -170.3 | 171.5 | 125.5 | -102.6 | 164 | 0 | 0 | 0 | 111.8 | |||||
| 643 | D | 27.3 | Very low | 28.4 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | -62.4 | 150.2 | -175.3 | -53.3 | -73.9 | 0 | 0 | 0 | 113.6 | ||||
| 644 | D | 26.9 | Very low | 28.7 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | -156.6 | 168.9 | 112.4 | -137.4 | -26.9 | 0 | 0 | 0 | 114.4 | |||||
| 645 | T | 32 | Very low | 29.6 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | -102.1 | 90.8 | -171.2 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 646 | V | 28 | Very low | 30.3 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -83.6 | 126.6 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 647 | I | 28.2 | Very low | 30.7 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | -75.9 | 123.2 | 168.8 | -63.4 | 166.7 | 0 | 0 | 0 | 107.7 | ||||
| 648 | L | 28.6 | Very low | 31.3 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | trans | -90.1 | 104.5 | 164.7 | -77.3 | 176.6 | 0 | 0 | 0 | 109.3 | ||||
| 649 | D | 26.9 | Very low | 32.1 | Very low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | trans | -61.5 | 138.2 | 173.1 | -76.7 | -52.1 | 0 | 0 | 0 | 111.4 | N651 | D649-N651 VanDerWaalsContact C-N 3.29Å; D649-N651 PolarHBondContact O-N 2.99Å | ||
| 650 | K | 29.9 | Very low | 32.7 | Very low | 203 Ų | 203 | 128.8 Ų | 128.8 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | trans | -82.1 | 78.9 | 168.9 | -79.3 | -169 | 171.1 | -172.3 | 0 | 109.9 | ||||
| 651 | N | 27.8 | Very low | 33.5 | Very low | 157 Ų | 157 | 126.4 Ų | 126.4 | 84% | 0.84 | 69% | 0.687 | S | S | * | * | trans | -60.4 | 137.7 | 158.8 | -74 | -12.2 | 0 | 0 | 0 | 109.1 | D649 | D649-N651 VanDerWaalsContact C-N 3.29Å; D649-N651 PolarHBondContact O-N 2.99Å | ||
| 652 | Q | 35 | Very low | 34.4 | Very low | 160 Ų | 160 | 124.4 Ų | 124.4 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | trans | -118.3 | 160.3 | -177.5 | -139.9 | -173.1 | -90.2 | 0 | 0 | 109.1 | ||||
| 653 | D | 36.8 | Very low | 35.2 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 69% | 0.69 | 64% | 0.636 | S | S | * | * | trans | 71.7 | 59.4 | 159.6 | -50.3 | -30.1 | 0 | 0 | 0 | 118.9 | ||||
| 654 | D | 33.1 | Very low | 36.3 | Very low | 136 Ų | 136 | 114 Ų | 114 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -114 | -11 | 161.1 | -102.7 | -44 | 0 | 0 | 0 | 114.4 | V656 A657 A658 | D654-V656 PolarHBondContact O-N 3.43Å; D654-V656 VanDerWaalsContact O-N 3.08Å; D654-A657 PolarHBondContact O-N 2.91Å; D654-A658 PolarHBondContact O-N 2.8Å | ||
| 655 | S | 42.9 | Very low | 37.4 | Very low | 94 Ų | 94 | 110.1 Ų | 110.1 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.5 | -10.9 | -164.7 | 61.7 | 0 | 0 | 0 | 0 | 116 | Y659 | S655-Y659 PolarHBondContact O-N 3.36Å |
| 656 | V | 40 | Very low | 38.3 | Very low | 109 Ų | 109 | 105 Ų | 105 | 66% | 0.661 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -88 | -43.2 | 177.4 | -176 | 0 | 0 | 0 | 0 | 111.2 | D654 A658 Y659 E660 | D654-V656 PolarHBondContact O-N 3.43Å; D654-V656 VanDerWaalsContact O-N 3.08Å; V656-A658 VanDerWaalsContact C-N 3.34Å; V656-Y659 WeakPolarHBondContact O-CA 3.43Å; V656-Y659 PolarHBondContact O-N 3.21Å; V656-E660 PolarHBondContact O-N 3.49Å; V656-E660 VanDerWaalsContact O-N 3.11Å |
| 657 | A | 36.1 | Very low | 39.5 | Very low | 65 Ų | 65 | 100.3 Ų | 100.3 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D654 Y659 E660 K661 | D654-A657 PolarHBondContact O-N 2.91Å; A657-Y659 PolarHBondContact O-N 2.88Å; A657-E660 PolarHBondContact O-N 3.5Å; A657-K661 PolarHBondContact O-N 3Å; A657-K661 VanDerWaalsContact O-N 3.15Å |
| 658 | A | 38.5 | Very low | 40.6 | Very low | 48 Ų | 48 | 99.2 Ų | 99.2 | 40% | 0.397 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.3 | -36.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D654 V656 K661 N662 | D654-A658 PolarHBondContact O-N 2.8Å; V656-A658 VanDerWaalsContact C-N 3.34Å; A658-K661 WeakPolarHBondContact O-CB 3.29Å; A658-K661 PolarHBondContact O-N 3.3Å; A658-N662 VanDerWaalsContact O-CG 3.23Å; A658-N662 PolarHBondContact O-N 3.4Å; A658-N662 PolarHBondContact O-OD1 3.1Å |
| 659 | Y | 43.3 | Very low | 41.7 | Very low | 47 Ų | 47 | 93 Ų | 93 | 18% | 0.184 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -76 | -35.5 | -178.9 | -175.4 | -118 | 0 | 0 | 0 | 114.5 | N17 K51 S655 V656 A657 K661 N662 F663 | N17-Y659 PolarHBondContact OD1-OH 3.29Å; K51-Y659 HydrophobicContact CD-CE2 4.41Å; K51-Y659 VanDerWaalsContact CE-OH 3.3Å; K51-Y659 WeakPolarHBondContact CE-OH 3.49Å; K51-Y659 PolarHBondContact NZ-OH 2.97Å; S655-Y659 PolarHBondContact O-N 3.36Å; V656-Y659 WeakPolarHBondContact O-CA 3.43Å; V656-Y659 PolarHBondContact O-N 3.21Å; A657-Y659 PolarHBondContact O-N 2.88Å; Y659-K661 VanDerWaalsContact C-N 3.27Å; Y659-K661 PolarHBondContact O-N 2.91Å; Y659-N662 HydrophobicContact CD2-CB 4.03Å; Y659-N662 HydrophobicContact CE2-CB 4.38Å; Y659-N662 CarbonylContact O-C 3.57Å; Y659-N662 PolarHBondContact O-N 3.02Å; Y659-F663 PolarHBondContact O-N 3.34Å |
| 660 | E | 41.3 | Very low | 42.9 | Very low | 148 Ų | 148 | 87.4 Ų | 87.4 | 69% | 0.692 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65 | -35.6 | 171.7 | -66.6 | -167.5 | 142.2 | 0 | 0 | 111.4 | V656 A657 F663 A664 | V656-E660 PolarHBondContact O-N 3.49Å; V656-E660 VanDerWaalsContact O-N 3.11Å; A657-E660 PolarHBondContact O-N 3.5Å; E660-F663 WeakPolarHBondContact O-CB 3.34Å; E660-F663 PolarHBondContact O-N 3.02Å; E660-A664 PolarHBondContact O-N 2.76Å |
| 661 | K | 43.5 | Very low | 43.7 | Very low | 132 Ų | 132 | 85.2 Ų | 85.2 | 57% | 0.574 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.2 | -45.8 | 169.5 | -160.9 | -171 | 178.2 | -137.2 | 0 | 111.6 | A657 A658 Y659 F663 A664 E665 | A657-K661 PolarHBondContact O-N 3Å; A657-K661 VanDerWaalsContact O-N 3.15Å; A658-K661 WeakPolarHBondContact O-CB 3.29Å; A658-K661 PolarHBondContact O-N 3.3Å; Y659-K661 VanDerWaalsContact C-N 3.27Å; Y659-K661 PolarHBondContact O-N 2.91Å; K661-F663 PolarHBondContact O-N 3.26Å; K661-A664 CarbonylContact O-C 3.57Å; K661-A664 WeakPolarHBondContact O-CA 3.42Å; K661-A664 WeakPolarHBondContact O-CB 3.33Å; K661-A664 PolarHBondContact O-N 3.23Å; K661-E665 VanDerWaalsContact CE-OE1 3.23Å; K661-E665 WeakPolarHBondContact CE-OE1 3.23Å; K661-E665 IonicContact NZ-OE1 3.08Å; K661-E665 PolarHBondContact NZ-OE1 2.67Å; K661-E665 VanDerWaalsContact NZ-OE1 3.08Å; K661-E665 WeakPolarHBondContact O-CG 3.46Å; K661-E665 PolarHBondContact O-N 3.38Å |
| 662 | N | 49.4 | Very low | 44.5 | Very low | 58 Ų | 58 | 80 Ų | 80 | 31% | 0.31 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -27.1 | 174.9 | -68.4 | 18 | 0 | 0 | 0 | 112.9 | A658 Y659 E665 I666 | A658-N662 VanDerWaalsContact O-CG 3.23Å; A658-N662 PolarHBondContact O-N 3.4Å; A658-N662 PolarHBondContact O-OD1 3.1Å; Y659-N662 HydrophobicContact CD2-CB 4.03Å; Y659-N662 HydrophobicContact CE2-CB 4.38Å; Y659-N662 CarbonylContact O-C 3.57Å; Y659-N662 PolarHBondContact O-N 3.02Å; N662-E665 PolarHBondContact O-N 3.23Å; N662-I666 WeakPolarHBondContact O-CB 3.38Å; N662-I666 VanDerWaalsContact O-CG1 3.26Å; N662-I666 WeakPolarHBondContact O-CG1 3.32Å; N662-I666 PolarHBondContact O-N 3.13Å |
| 663 | F | 44.8 | Very low | 45 | Very low | 41 Ų | 41 | 76.3 Ų | 76.3 | 18% | 0.18 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.2 | -37.9 | 172.4 | -171.7 | -88.4 | 0 | 0 | 0 | 111.7 | N17 K40 L47 Y659 E660 K661 I667 | N17-F663 VanDerWaalsContact OD1-CD2 3.23Å; N17-F663 WeakPolarHBondContact OD1-CD2 3.41Å; N17-F663 WeakPolarHBondContact OD1-CE2 3.36Å; K40-F663 HydrophobicContact CD-CE1 3.93Å; K40-F663 HydrophobicContact CD-CZ 3.64Å; K40-F663 VanDerWaalsContact NZ-CE1 3.32Å; K40-F663 VanDerWaalsContact NZ-CZ 3.27Å; L47-F663 HydrophobicContact CD2-CE2 4.11Å; Y659-F663 PolarHBondContact O-N 3.34Å; E660-F663 WeakPolarHBondContact O-CB 3.34Å; E660-F663 PolarHBondContact O-N 3.02Å; K661-F663 PolarHBondContact O-N 3.26Å; F663-I667 HydrophobicContact CD1-CD1 4.11Å; F663-I667 HydrophobicContact CE1-CD1 3.38Å; F663-I667 HydrophobicContact CE1-CG1 4.33Å; F663-I667 HydrophobicContact CZ-CD1 3.86Å; F663-I667 PolarHBondContact O-N 3.3Å |
| 664 | A | 49 | Very low | 45.1 | Very low | 46 Ų | 46 | 76.3 Ų | 76.3 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E660 K661 I666 I667 L668 | E660-A664 PolarHBondContact O-N 2.76Å; K661-A664 CarbonylContact O-C 3.57Å; K661-A664 WeakPolarHBondContact O-CA 3.42Å; K661-A664 WeakPolarHBondContact O-CB 3.33Å; K661-A664 PolarHBondContact O-N 3.23Å; A664-I666 PolarHBondContact O-N 2.85Å; A664-I667 CarbonylContact O-C 3.57Å; A664-I667 PolarHBondContact O-N 3.29Å; A664-L668 VanDerWaalsContact O-CB 3.28Å; A664-L668 WeakPolarHBondContact O-CB 3.43Å; A664-L668 VanDerWaalsContact O-CG 3.23Å; A664-L668 WeakPolarHBondContact O-CG 3.46Å; A664-L668 PolarHBondContact O-N 3.39Å |
| 665 | E | 51.4 | Low | 45.1 | Very low | 68 Ų | 68 | 81 Ų | 81 | 32% | 0.318 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.4 | -32.1 | 177.9 | -67.6 | 170.8 | -170.2 | 0 | 0 | 112.8 | W87 K661 N662 L668 A669 | W87-E665 HydrophobicContact CH2-CB 4.31Å; K661-E665 VanDerWaalsContact CE-OE1 3.23Å; K661-E665 WeakPolarHBondContact CE-OE1 3.23Å; K661-E665 IonicContact NZ-OE1 3.08Å; K661-E665 PolarHBondContact NZ-OE1 2.67Å; K661-E665 VanDerWaalsContact NZ-OE1 3.08Å; K661-E665 WeakPolarHBondContact O-CG 3.46Å; K661-E665 PolarHBondContact O-N 3.38Å; N662-E665 PolarHBondContact O-N 3.23Å; E665-L668 PolarHBondContact O-N 3.23Å; E665-A669 WeakPolarHBondContact O-CB 3.36Å; E665-A669 PolarHBondContact O-N 3.17Å |
| 666 | I | 49.2 | Very low | 44.5 | Very low | 12 Ų | 12 | 85.4 Ų | 85.4 | 6% | 0.062 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 168.6 | -73.8 | 164.2 | 0 | 0 | 0 | 110.4 | W87 N662 A664 I670 | W87-I666 HydrophobicContact CH2-CG1 3.86Å; W87-I666 HydrophobicContact CZ2-CB 4.25Å; W87-I666 HydrophobicContact CZ2-CG1 3.41Å; W87-I666 VanDerWaalsContact CZ2-CG1 3.41Å; N662-I666 WeakPolarHBondContact O-CB 3.38Å; N662-I666 VanDerWaalsContact O-CG1 3.26Å; N662-I666 WeakPolarHBondContact O-CG1 3.32Å; N662-I666 PolarHBondContact O-N 3.13Å; A664-I666 PolarHBondContact O-N 2.85Å; I666-I670 HydrophobicContact CG2-CD1 3.77Å; I666-I670 VanDerWaalsContact O-CB 3.23Å; I666-I670 WeakPolarHBondContact O-CB 3.47Å; I666-I670 WeakPolarHBondContact O-CD1 3.2Å; I666-I670 WeakPolarHBondContact O-CG1 3.31Å; I666-I670 PolarHBondContact O-N 3.16Å |
| 667 | I | 53.1 | Low | 44.1 | Very low | 28 Ų | 28 | 86.6 Ų | 86.6 | 14% | 0.144 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -71.4 | -31.3 | 179.3 | -69.3 | 179.8 | 0 | 0 | 0 | 112.1 | K40 F663 A664 R671 | K40-I667 HydrophobicContact CB-CD1 4.33Å; K40-I667 HydrophobicContact CD-CD1 4.15Å; F663-I667 HydrophobicContact CD1-CD1 4.11Å; F663-I667 HydrophobicContact CE1-CD1 3.38Å; F663-I667 HydrophobicContact CE1-CG1 4.33Å; F663-I667 HydrophobicContact CZ-CD1 3.86Å; F663-I667 PolarHBondContact O-N 3.3Å; A664-I667 CarbonylContact O-C 3.57Å; A664-I667 PolarHBondContact O-N 3.29Å; I667-R671 WeakPolarHBondContact O-CB 3.39Å; I667-R671 WeakPolarHBondContact O-CD 3.31Å; I667-R671 WeakPolarHBondContact O-CG 3.42Å; I667-R671 PolarHBondContact O-N 3.12Å; I667-R671 VanDerWaalsContact O-N 3.1Å |
| 668 | L | 52.8 | Low | 44 | Very low | 110 Ų | 110 | 89.3 Ų | 89.3 | 58% | 0.576 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -77.2 | -36.2 | 177.5 | -74.3 | 167.2 | 0 | 0 | 0 | 112.1 | A664 E665 R671 G672 | A664-L668 VanDerWaalsContact O-CB 3.28Å; A664-L668 WeakPolarHBondContact O-CB 3.43Å; A664-L668 VanDerWaalsContact O-CG 3.23Å; A664-L668 WeakPolarHBondContact O-CG 3.46Å; A664-L668 PolarHBondContact O-N 3.39Å; E665-L668 PolarHBondContact O-N 3.23Å; L668-R671 CarbonylContact O-C 3.44Å; L668-R671 PolarHBondContact O-N 3.34Å; L668-G672 WeakPolarHBondContact O-CA 3.09Å; L668-G672 PolarHBondContact O-N 2.78Å |
| 669 | A | 50.8 | Low | 44 | Very low | 33 Ų | 33 | 94.8 Ų | 94.8 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L86 E665 R671 G672 | L86-A669 HydrophobicContact CD2-CB 4.07Å; E665-A669 WeakPolarHBondContact O-CB 3.36Å; E665-A669 PolarHBondContact O-N 3.17Å; A669-R671 PolarHBondContact O-N 2.89Å; A669-G672 PolarHBondContact O-N 3.33Å |
| 670 | I | 52.7 | Low | 43.5 | Very low | 12 Ų | 12 | 99.7 Ų | 99.7 | 6% | 0.062 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -59.1 | -26 | 174 | -73.8 | 171.9 | 0 | 0 | 0 | 112.5 | V42 D76 L78 I666 | V42-I670 HydrophobicContact CG2-CD1 3.92Å; D76-I670 HydrophobicContact CB-CG2 4.06Å; D76-I670 WeakPolarHBondContact CB-O 3.36Å; D76-I670 WeakPolarHBondContact OD2-CG2 3.3Å; L78-I670 HydrophobicContact CD1-CB 4.26Å; L78-I670 HydrophobicContact CD1-CG1 3.85Å; L78-I670 HydrophobicContact CD1-CG2 4.43Å; I666-I670 HydrophobicContact CG2-CD1 3.77Å; I666-I670 VanDerWaalsContact O-CB 3.23Å; I666-I670 WeakPolarHBondContact O-CB 3.47Å; I666-I670 WeakPolarHBondContact O-CD1 3.2Å; I666-I670 WeakPolarHBondContact O-CG1 3.31Å; I666-I670 PolarHBondContact O-N 3.16Å |
| 671 | R | 46.2 | Very low | 42.9 | Very low | 157 Ų | 157 | 102 Ų | 102 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 1.9 | 176.3 | -68.1 | 173.7 | 176.4 | -169.9 | -2.6 | 114.3 | I667 L668 A669 | I667-R671 WeakPolarHBondContact O-CB 3.39Å; I667-R671 WeakPolarHBondContact O-CD 3.31Å; I667-R671 WeakPolarHBondContact O-CG 3.42Å; I667-R671 PolarHBondContact O-N 3.12Å; I667-R671 VanDerWaalsContact O-N 3.1Å; L668-R671 CarbonylContact O-C 3.44Å; L668-R671 PolarHBondContact O-N 3.34Å; A669-R671 PolarHBondContact O-N 2.89Å |
| 672 | G | 44.3 | Very low | 42.5 | Very low | 46 Ų | 46 | 103.9 Ų | 103.9 | 47% | 0.474 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -23.7 | -149.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L668 A669 N674 | L668-G672 WeakPolarHBondContact O-CA 3.09Å; L668-G672 PolarHBondContact O-N 2.78Å; A669-G672 PolarHBondContact O-N 3.33Å; G672-N674 PolarHBondContact O-N 3.19Å |
| 673 | Q | 46 | Very low | 41.4 | Very low | 83 Ų | 83 | 109.4 Ų | 109.4 | 39% | 0.388 | 54% | 0.544 | S | S | . | . | trans | -76.2 | -6.5 | -173.4 | -70.7 | 170.8 | -96 | 0 | 0 | 113.4 | E109 R675 | E109-Q673 HydrophobicContact CG-CB 4.23Å; Q673-R675 VanDerWaalsContact C-N 3.25Å; Q673-R675 PolarHBondContact O-N 2.93Å | ||
| 674 | N | 37.8 | Very low | 40.7 | Very low | 130 Ų | 130 | 113.6 Ų | 113.6 | 70% | 0.695 | 57% | 0.568 | S | S | * | * | trans | -78 | 66.8 | 170.8 | -97.5 | -72.4 | 0 | 0 | 0 | 112.8 | G672 | G672-N674 PolarHBondContact O-N 3.19Š| ||
| 675 | R | 34.8 | Very low | 39.8 | Very low | 235 Ų | 235 | 116.3 Ų | 116.3 | 89% | 0.887 | 58% | 0.58 | S | S | * | * | trans | -170.2 | 81.3 | 158 | -104.8 | 156.7 | -159.8 | -134 | 1.4 | 111.3 | Q673 | Q673-R675 VanDerWaalsContact C-N 3.25Å; Q673-R675 PolarHBondContact O-N 2.93Å | ||
| 676 | H | 29.4 | Very low | 38.8 | Very low | 185 Ų | 185 | 121.1 Ų | 121.1 | 86% | 0.856 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 136.4 | 159.9 | -153.7 | -70.8 | 0 | 0 | 0 | 109.2 | ||
| 677 | L | 32 | Very low | 37.9 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 70% | 0.702 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 142.8 | 170.7 | -72.2 | 159.6 | 0 | 0 | 0 | 110.2 | ||
| 678 | P | 34.3 | Very low | 37 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 132.5 | 141.5 | 33.2 | -25.5 | 0 | 0 | 0 | 109 | ||
| 679 | E | 38.4 | Very low | 36 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 147.9 | 164.5 | -73.6 | -177.2 | 140.8 | 0 | 0 | 110 | ||
| 680 | D | 33 | Very low | 35 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | trans | 74.9 | 148.6 | 155.2 | -62.8 | -14.4 | 0 | 0 | 0 | 124.2 | ||||
| 681 | E | 28.7 | Very low | 34 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 92% | 0.921 | 72% | 0.723 | S | S | * | * | trans | 79 | 144.1 | 167.3 | -54.4 | -135.2 | 137.4 | 0 | 0 | 121 | ||||
| 682 | E | 33.5 | Very low | 33.2 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | trans | -93.1 | 144.1 | -167 | -51.6 | 173.7 | 148.5 | 0 | 0 | 111.4 | ||||
| 683 | F | 27.1 | Very low | 32.7 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 77% | 0.768 | 74% | 0.744 | S | S | * | * | 175.4 | 144.3 | 121.6 | -108.2 | -138 | 0 | 0 | 0 | 115.1 | |||||
| 684 | L | 30 | Very low | 32.1 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | trans | 50.8 | 107 | 144.2 | -68.1 | -176.3 | 0 | 0 | 0 | 123 | ||||
| 685 | T | 29.3 | Very low | 31.8 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 63% | 0.632 | 75% | 0.75 | S | S | * | * | 55.4 | 143 | 119.3 | 60.2 | 0 | 0 | 0 | 0 | 124 | |||||
| 686 | E | 31.3 | Very low | 31.5 | Very low | 169 Ų | 169 | 140 Ų | 140 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 82.1 | 101.1 | 139 | -82 | 169.7 | -140.8 | 0 | 0 | 121 | ||||
| 687 | D | 30.2 | Very low | 31.5 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | 81 | 141.2 | 112.1 | -102.3 | 31.3 | 0 | 0 | 0 | 124.4 | |||||
| 688 | L | 33.8 | Very low | 31.1 | Very low | 138 Ų | 138 | 136 Ų | 136 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | trans | 80.2 | 129.1 | 145.6 | -70.9 | 166 | 0 | 0 | 0 | 123.2 | ||||
| 689 | T | 32.8 | Very low | 30.8 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | 66.6 | 153.4 | 151.4 | 58.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 690 | G | 28.6 | Very low | 30.2 | Very low | 58 Ų | 58 | 133 Ų | 133 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | cis | -161.7 | 139.1 | -5.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 691 | S | 31.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | 87.4 | 142.6 | 81.4 | 66.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 692 | D | 30.6 | Very low | 29.8 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | trans | 79.5 | 113.1 | 171.3 | -56 | -13.1 | 0 | 0 | 0 | 116.6 | ||||
| 693 | E | 34.4 | Very low | 29.6 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | 87.8 | 139.7 | 60.6 | -84.2 | -129.1 | 151.2 | 0 | 0 | 112.4 | K695 | E693-K695 IonicContact OE1-NZ 2.83Å; E693-K695 PolarHBondContact OE1-NZ 2.88Å; E693-K695 IonicContact OE2-NZ 2.64Å; E693-K695 PolarHBondContact OE2-NZ 3.47Å | |||
| 694 | A | 33.5 | Very low | 29.6 | Very low | 62 Ų | 62 | 130.2 Ų | 130.2 | 51% | 0.512 | 72% | 0.717 | S | S | . | * | cis | -167.6 | 156.9 | 7.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 695 | K | 30.1 | Very low | 29.5 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 70% | 0.7 | 72% | 0.72 | S | S | * | * | trans | 66.3 | 155 | 142.6 | -60.4 | 163.3 | -178 | 75.2 | 0 | 115.4 | E693 | E693-K695 IonicContact OE1-NZ 2.83Å; E693-K695 PolarHBondContact OE1-NZ 2.88Å; E693-K695 IonicContact OE2-NZ 2.64Å; E693-K695 PolarHBondContact OE2-NZ 3.47Å | ||
| 696 | V | 28.5 | Very low | 29.3 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | cis | -160.4 | 163.5 | -0.4 | 95.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 697 | A | 29.3 | Very low | 29 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | cis | -158.1 | 172.6 | 3.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 698 | H | 24.5 | Very low | 28.7 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | trans | -6.7 | 151.6 | 146.6 | -58.9 | -85.8 | 0 | 0 | 0 | 120 | ||||
| 699 | L | 28.1 | Very low | 28.3 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | cis | -136.9 | 129.8 | 41.1 | -73.3 | 158.9 | 0 | 0 | 0 | 111.7 | ||||
| 700 | A | 26.2 | Very low | 27.9 | Very low | 58 Ų | 58 | 131.4 Ų | 131.4 | 48% | 0.479 | 73% | 0.725 | S | S | . | * | 90.8 | 110.9 | 77.1 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 701 | E | 26.6 | Very low | 27.9 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | 92 | 149.2 | 96.6 | -79.4 | 160.5 | -157.9 | 0 | 0 | 111.6 | |||||
| 702 | E | 27 | Very low | 27.8 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | cis | -153.6 | 159.3 | -3.8 | -104.8 | -177.4 | 151.4 | 0 | 0 | 106.1 | ||||
| 703 | D | 27.4 | Very low | 27.7 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | cis | -152.6 | -97.1 | -20.2 | 179.8 | 40.2 | 0 | 0 | 0 | 110.9 | ||||
| 704 | Q | 27.2 | Very low | 27.3 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | trans | -158.6 | 179.7 | -149.6 | -162.3 | -176.2 | 140.6 | 0 | 0 | 115.5 | ||||
| 705 | V | 28.5 | Very low | 27.1 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | 89 | 144.3 | 159.7 | -165.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 706 | D | 26 | Very low | 27.1 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -56.7 | 160.7 | 170 | -68.4 | -78.1 | 0 | 0 | 0 | 115.3 | ||||
| 707 | G | 24.4 | Very low | 27.3 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | 163.6 | 97.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 708 | F | 24.6 | Very low | 27.3 | Very low | 185 Ų | 185 | 139 Ų | 139 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | trans | -7.3 | 140.3 | 156.2 | -71.6 | -87.7 | 0 | 0 | 0 | 120.7 | ||||
| 709 | K | 24.2 | Very low | 27.5 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | trans | 71.9 | 150 | 138 | -77.8 | 177.5 | 179.4 | -177 | 0 | 118.3 | ||||
| 710 | N | 25.1 | Very low | 27.6 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | cis | -165.6 | -173.3 | -22.2 | -143.5 | 63.4 | 0 | 0 | 0 | 107.3 | ||||
| 711 | D | 27.2 | Very low | 27.9 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 68% | 0.684 | 71% | 0.714 | S | S | * | * | trans | 70.8 | 144.5 | 157.2 | -48 | -31.6 | 0 | 0 | 0 | 116.4 | ||||
| 712 | D | 30.3 | Very low | 27.9 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | cis | -159.6 | 172.2 | -1.4 | -139.7 | -33.2 | 0 | 0 | 0 | 113.6 | ||||
| 713 | C | 27.9 | Very low | 27.9 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 49% | 0.486 | 70% | 0.703 | S | S | . | * | trans | 67.1 | 131.4 | 149.5 | -73.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 714 | W | 27.7 | Very low | 27.9 | Very low | 229 Ų | 229 | 134 Ų | 134 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | cis | -144.9 | -176 | -3.4 | -66.1 | 106.9 | 0 | 0 | 0 | 107.7 | ||||
| 715 | I | 28 | Very low | 28 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 70% | 0.703 | 71% | 0.711 | S | S | * | * | cis | -156.4 | 168.6 | 12.2 | -153.5 | 158.1 | 0 | 0 | 0 | 111.9 | ||||
| 716 | T | 29.6 | Very low | 27.9 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | trans | -9.3 | 150 | 161.2 | 64.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 717 | E | 33.8 | Very low | 27.9 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | cis | 174.7 | 161.5 | -16.4 | -101.3 | 132.4 | -128.3 | 0 | 0 | 103.7 | ||||
| 718 | D | 29.4 | Very low | 28 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 60% | 0.599 | 71% | 0.706 | S | S | * | * | cis | -153 | 164 | 3.4 | -114.2 | -20.6 | 0 | 0 | 0 | 105.5 | ||||
| 719 | Y | 29 | Very low | 28.1 | Very low | 196 Ų | 196 | 125.6 Ų | 125.6 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | cis | -138.2 | -158.9 | 2.4 | -119.5 | -55.6 | 0 | 0 | 0 | 106.9 | ||||
| 720 | G | 29.4 | Very low | 28.2 | Very low | 59 Ų | 59 | 121.8 Ų | 121.8 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | cis | 89.4 | 145.1 | 21.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 721 | S | 32.4 | Very low | 28.2 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | cis | -165.7 | 146.9 | -6.1 | -80.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 722 | E | 27.7 | Very low | 28.2 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | cis | -169.9 | 166.7 | -14.9 | -125.3 | 162.3 | 104.5 | 0 | 0 | 111.1 | ||||
| 723 | S | 26.8 | Very low | 28 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | 64.5 | 130.9 | 154.4 | 62.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 724 | N | 27.4 | Very low | 27.9 | Very low | 155 Ų | 155 | 121.5 Ų | 121.5 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | 71.4 | 140.8 | 53.1 | -65.2 | -20.5 | 0 | 0 | 0 | 113.6 | |||||
| 725 | S | 27.8 | Very low | 27.6 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | cis | -175.4 | 172 | -9.1 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 726 | A | 26.6 | Very low | 27.8 | Very low | 84 Ų | 84 | 119 Ų | 119 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | trans | 84.5 | 117.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 727 | S | 26.3 | Very low | 28.6 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | 84.2 | 144.7 | 129.4 | -58.8 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 728 | S | 27.6 | Very low | 28.5 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | 104.1 | 105 | 147 | -40.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 729 | S | 26.4 | Very low | 28.4 | Very low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | 65.1 | 109.8 | 121.4 | -50.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 730 | S | 26.7 | Very low | 28.3 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | 76 | 129.1 | 117.1 | -54.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 731 | T | 24.8 | Very low | 28.3 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | 80.8 | 151.3 | 134.2 | 47.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 732 | S | 26.2 | Very low | 28.1 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | 68.9 | 90.7 | 154.4 | 49.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 733 | S | 26.4 | Very low | 28.2 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | -20.7 | 153.4 | 134 | 54.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 734 | C | 25.3 | Very low | 28.1 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | 73.6 | 133.4 | 156.6 | -59.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 735 | F | 22.5 | Very low | 28.1 | Very low | 204 Ų | 204 | 125.4 Ų | 125.4 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | -157.8 | 173.8 | 65.2 | -108 | -86.8 | 0 | 0 | 0 | 115.1 | |||||
| 736 | S | 30.9 | Very low | 29 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -102.4 | -136.1 | -175.7 | -38.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 737 | P | 48.1 | Very low | 30.1 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | cis | -142.9 | -165.7 | -7.7 | 35.1 | -10.5 | 0 | 0 | 0 | 117 | ||||
| 738 | R | 30.5 | Very low | 30.1 | Very low | 224 Ų | 224 | 130 Ų | 130 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 79.5 | 146 | 164.3 | -65.4 | 179.2 | -179.9 | -101.2 | -1.6 | 115.7 | ||||
| 739 | T | 28.5 | Very low | 30.3 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | cis | -141.9 | -177.3 | -2.9 | -5.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 740 | S | 26.1 | Very low | 30.9 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -146.2 | 154.6 | 18.9 | 59.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 741 | T | 29.6 | Very low | 30.9 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 63% | 0.632 | 76% | 0.759 | S | S | * | * | 60.1 | 127.5 | 74.6 | -33 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 742 | E | 27.9 | Very low | 31.1 | Very low | 169 Ų | 169 | 131 Ų | 131 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | cis | -137.1 | -158 | 18.7 | -144.6 | 141 | -114.7 | 0 | 0 | 113.8 | ||||
| 743 | D | 29.6 | Very low | 31.2 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -80.9 | -178.5 | -169.8 | -51.4 | -51.7 | 0 | 0 | 0 | 114.8 | ||||
| 744 | T | 26 | Very low | 31.3 | Very low | 141 Ų | 141 | 131 Ų | 131 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | cis | -162.9 | 166.4 | 23.4 | -26.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 745 | D | 26.4 | Very low | 31.9 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -94.7 | -170.8 | 173.3 | -86.6 | -46.7 | 0 | 0 | 0 | 114 | ||||
| 746 | P | 47.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | cis | -127.7 | -107.1 | -22.5 | 22.8 | 3 | 0 | 0 | 0 | 118.2 | ||||
| 747 | P | 49.8 | Very low | 32.7 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | -131.9 | -172.5 | -115.1 | 41.5 | -22.2 | 0 | 0 | 0 | 120.1 | |||||
| 748 | H | 25.8 | Very low | 31.6 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | 100.6 | 144.4 | 158.1 | -68.7 | -60.5 | 0 | 0 | 0 | 122.7 | ||||
| 749 | T | 31.2 | Very low | 31.3 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -80.6 | 169.1 | 165.8 | 49.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 750 | P | 39.8 | Very low | 31.1 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | cis | -151.4 | -173.8 | 30.1 | 44.9 | -24.2 | 0 | 0 | 0 | 118.6 | ||||
| 751 | G | 26.7 | Very low | 31.1 | Very low | 63 Ų | 63 | 130.9 Ų | 130.9 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | 109.9 | 128.4 | 132.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 752 | T | 28.9 | Very low | 31 | Very low | 156 Ų | 156 | 135 Ų | 135 | 96% | 0.957 | 77% | 0.767 | S | S | * | * | trans | 52.5 | 134.6 | 149.9 | 36.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 753 | G | 27.5 | Very low | 30.9 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | trans | 172.6 | 114.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 754 | C | 28.8 | Very low | 30.8 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -74.9 | 152.9 | -178.7 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 755 | T | 38.5 | Very low | 31.1 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -50.2 | 151.4 | 148.1 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 756 | P | 41.8 | Very low | 31.2 | Very low | 106 Ų | 106 | 136 Ų | 136 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | -159.9 | -171.9 | 50.9 | 42.3 | -19.3 | 0 | 0 | 0 | 119 | |||||
| 757 | R | 27.9 | Very low | 30.4 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | trans | 82.3 | 125.4 | 138.4 | -95 | 174.1 | 162.5 | 173.6 | -7.6 | 122 | ||||
| 758 | Y | 24.4 | Very low | 29.6 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 86.7 | 140.3 | 136.2 | -79.1 | -51.1 | 0 | 0 | 0 | 122.4 | ||||
| 759 | S | 25.4 | Very low | 30 | Very low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | 63.2 | 103.1 | 153.6 | -61.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 760 | M | 22.6 | Very low | 30 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | 65.6 | 115.3 | 73.5 | -73.3 | -91.5 | -77.6 | 0 | 0 | 113.6 | |||||
| 761 | S | 26.5 | Very low | 29.8 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 60% | 0.601 | 77% | 0.774 | S | S | * | * | trans | 66.3 | 138.6 | 155.5 | -67.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 762 | R | 27.9 | Very low | 30.1 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | cis | -161.4 | 160 | 3.6 | -112.6 | 158.6 | -156.9 | -155.9 | -0.3 | 109.7 | ||||
| 763 | L | 26.1 | Very low | 30.3 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | 11.4 | 128.1 | 138.3 | -52 | 168.1 | 0 | 0 | 0 | 117.8 | ||||
| 764 | S | 26.8 | Very low | 31 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | -175.8 | 150.8 | 107.6 | 46.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 765 | S | 32.2 | Very low | 31.7 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -115.7 | 159.2 | -170.8 | -37 | 0 | 0 | 0 | 0 | 112 | ||||
| 766 | R | 29.8 | Very low | 32.3 | Very low | 246 Ų | 246 | 145.3 Ų | 145.3 | 93% | 0.928 | 73% | 0.73 | S | S | * | * | trans | -106.1 | 114.8 | 149.2 | -69.4 | -173.4 | 173.9 | -146.8 | 0 | 107.3 | ||||
| 767 | R | 31.1 | Very low | 33 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | 75.1 | 108.5 | 52.7 | -73.2 | -172.2 | 169 | -167.1 | -4.1 | 114 | |||||
| 768 | P | 32.6 | Very low | 33.7 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 84% | 0.844 | 72% | 0.721 | S | S | * | * | -67.7 | 165.7 | 121.5 | -12.5 | 30.3 | 0 | 0 | 0 | 111 | |||||
| 769 | Q | 32.5 | Very low | 34.7 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -115 | 127.3 | -166.7 | -68.6 | -179.4 | -42.6 | 0 | 0 | 115.4 | ||
| 770 | R | 31.3 | Very low | 35.9 | Very low | 233 Ų | 233 | 132.8 Ų | 132.8 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | trans | 142.3 | 93.5 | 150.9 | -81.6 | 172.2 | -174.9 | -144.5 | 2.3 | 107.8 | ||||
| 771 | L | 35.5 | Very low | 37.1 | Very low | 132 Ų | 132 | 132 Ų | 132 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | 57.8 | 128.7 | 80.8 | -67.2 | 166 | 0 | 0 | 0 | 112.7 | |||||
| 772 | A | 34.2 | Very low | 37.7 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | cis | -169.6 | 165 | -4.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 773 | D | 32.8 | Very low | 38.5 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | cis | -166.6 | 157.8 | -31 | -87.5 | -34.4 | 0 | 0 | 0 | 106.3 | ||||
| 774 | L | 42.5 | Very low | 39.4 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 72% | 0.723 | 68% | 0.681 | S | S | * | * | trans | -122.6 | 161.3 | 177.7 | -81 | 175 | 0 | 0 | 0 | 112.2 | ||||
| 775 | S | 42.3 | Very low | 40 | Very low | 62 Ų | 62 | 125 Ų | 125 | 43% | 0.434 | 67% | 0.667 | S | S | . | * | trans | -112.6 | 161.6 | -169.3 | 69.1 | 0 | 0 | 0 | 0 | 115.6 | V783 | S775-V783 WeakPolarHBondContact O-CB 3.49Å; S775-V783 PolarHBondContact O-N 3.33Å; S775-V783 VanDerWaalsContact O-N 3.09Å | ||
| 776 | F | 51.8 | Low | 40.2 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 62% | 0.618 | 67% | 0.669 | S | S | * | * | B | Isolated β-bridge | trans | -135.2 | 146.8 | -175.1 | -70.1 | -104.9 | 0 | 0 | 0 | 110.3 | P782 | F776-P782 VanDerWaalsContact CD1-CA 3.47Å; F776-P782 HydrophobicContact CD1-CB 4.05Å; F776-P782 HydrophobicContact CE1-CB 3.69Å; F776-P782 HydrophobicContact CZ-CB 4.3Å |
| 777 | T | 57.1 | Low | 40.6 | Very low | 69 Ų | 69 | 122.9 Ų | 122.9 | 42% | 0.423 | 67% | 0.665 | S | S | . | * | trans | -82.8 | 161.8 | 177.1 | 44.2 | 0 | 0 | 0 | 0 | 112.5 | G779 G780 R781 V783 | T777-G779 PolarHBondContact O-N 3.19Å; T777-G779 VanDerWaalsContact O-N 3.09Å; T777-G780 PolarHBondContact O-N 2.92Å; T777-R781 PolarHBondContact N-O 3.04Å; T777-R781 PolarHBondContact OG1-O 3.32Å; T777-V783 HydrophobicContact CG2-CG2 3.74Å | ||
| 778 | P | 41.2 | Very low | 41.2 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -28.9 | -177.7 | -28.6 | 36.7 | 0 | 0 | 0 | 115.2 | G780 | P778-G780 PolarHBondContact O-N 2.88Š|
| 779 | G | 46.4 | Very low | 41.8 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 76% | 0.763 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 5.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | T777 R781 | T777-G779 PolarHBondContact O-N 3.19Å; T777-G779 VanDerWaalsContact O-N 3.09Å; G779-R781 PolarHBondContact O-N 3.39Å |
| 780 | G | 50.5 | Low | 42.4 | Very low | 54 Ų | 54 | 119.5 Ų | 119.5 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 81.4 | 6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T777 P778 | T777-G780 PolarHBondContact O-N 2.92Å; P778-G780 PolarHBondContact O-N 2.88Å |
| 781 | R | 47.4 | Very low | 43.2 | Very low | 148 Ų | 148 | 112 Ų | 112 | 56% | 0.558 | 64% | 0.638 | S | S | * | * | trans | -83.8 | 140.8 | 171.9 | -62.1 | -169.1 | -174.9 | -156.6 | 5.3 | 110.6 | T777 G779 | T777-R781 PolarHBondContact N-O 3.04Å; T777-R781 PolarHBondContact OG1-O 3.32Å; G779-R781 PolarHBondContact O-N 3.39Å | ||
| 782 | P | 40.1 | Very low | 44 | Very low | 83 Ų | 83 | 111.8 Ų | 111.8 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | B | Isolated β-bridge | trans | -62.9 | 140.9 | 173.2 | 27 | -33.9 | 0 | 0 | 0 | 110.7 | F776 I784 | F776-P782 VanDerWaalsContact CD1-CA 3.47Å; F776-P782 HydrophobicContact CD1-CB 4.05Å; F776-P782 HydrophobicContact CE1-CB 3.69Å; F776-P782 HydrophobicContact CZ-CB 4.3Å; P782-I784 PolarHBondContact O-N 2.92Å |
| 783 | V | 44.4 | Very low | 44.8 | Very low | 48 Ų | 48 | 112.6 Ų | 112.6 | 29% | 0.291 | 62% | 0.62 | S | S | . | * | trans | -87.7 | 99.1 | 167.9 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | S775 T777 Q785 | S775-V783 WeakPolarHBondContact O-CB 3.49Å; S775-V783 PolarHBondContact O-N 3.33Å; S775-V783 VanDerWaalsContact O-N 3.09Å; T777-V783 HydrophobicContact CG2-CG2 3.74Å; V783-Q785 HydrophobicContact CG1-CG 3.94Å; V783-Q785 PolarHBondContact O-N 3.01Å | ||
| 784 | I | 44.3 | Very low | 45.3 | Very low | 154 Ų | 154 | 111.1 Ų | 111.1 | 79% | 0.79 | 61% | 0.611 | S | S | * | * | trans | -72.1 | 111.6 | 163.9 | -57.1 | 176.7 | 0 | 0 | 0 | 106.1 | P782 | P782-I784 PolarHBondContact O-N 2.92Š| ||
| 785 | Q | 40.5 | Very low | 45.9 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | trans | -86.1 | 134.3 | 172.6 | -69.7 | -172.8 | -34 | 0 | 0 | 109.7 | V783 | V783-Q785 HydrophobicContact CG1-CG 3.94Å; V783-Q785 PolarHBondContact O-N 3.01Å | ||
| 786 | N | 36.7 | Very low | 46 | Very low | 144 Ų | 144 | 110.2 Ų | 110.2 | 77% | 0.77 | 60% | 0.598 | S | S | * | * | trans | 72.9 | 92.6 | 169.8 | -38.4 | -50.5 | 0 | 0 | 0 | 116.2 | ||||
| 787 | L | 36.7 | Very low | 45.8 | Very low | 162 Ų | 162 | 107.7 Ų | 107.7 | 85% | 0.848 | 59% | 0.591 | S | S | * | * | trans | -172 | 126.1 | 133.5 | -101.5 | 162.4 | 0 | 0 | 0 | 108.4 | E789 | L787-E789 VanDerWaalsContact C-N 3.34Å; L787-E789 PolarHBondContact O-N 2.98Å | ||
| 788 | D | 44.7 | Very low | 45.5 | Very low | 165 Ų | 165 | 110.8 Ų | 110.8 | 88% | 0.882 | 61% | 0.61 | S | S | * | * | trans | -86.3 | 61.9 | -170.1 | -66.5 | -60.4 | 0 | 0 | 0 | 113.3 | ||||
| 789 | E | 43.8 | Very low | 45.8 | Very low | 158 Ų | 158 | 112.9 Ų | 112.9 | 74% | 0.738 | 61% | 0.609 | S | S | * | * | trans | -127 | 140.2 | 173 | -68 | -167.6 | 137.2 | 0 | 0 | 112.2 | L787 | L787-E789 VanDerWaalsContact C-N 3.34Å; L787-E789 PolarHBondContact O-N 2.98Å | ||
| 790 | P | 46.6 | Very low | 45.9 | Very low | 87 Ų | 87 | 116.6 Ų | 116.6 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127.9 | 179.4 | 30 | -33.8 | 0 | 0 | 0 | 111.1 | ||
| 791 | V | 48.1 | Very low | 46.2 | Very low | 76 Ų | 76 | 116.9 Ų | 116.9 | 46% | 0.461 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.3 | -179.4 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | Y793 | V791-Y793 HydrophobicContact CB-CE2 3.95Å; V791-Y793 HydrophobicContact CG1-CD2 4.24Å; V791-Y793 HydrophobicContact CG1-CE1 4.37Å; V791-Y793 HydrophobicContact CG1-CE2 3.57Å |
| 792 | E | 52 | Low | 45.8 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 59% | 0.589 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 127.6 | 173.6 | -54.9 | -158.3 | 148.2 | 0 | 0 | 111.5 | I805 T807 | E792-I805 HydrophobicContact CB-CG2 4.13Å; E792-I805 HydrophobicContact CG-CG2 4.45Å; E792-T807 HydrophobicContact CG-CG2 3.7Å; E792-T807 VanDerWaalsContact OE1-CG2 3.26Å; E792-T807 WeakPolarHBondContact OE1-CG2 3.39Å |
| 793 | Y | 50.2 | Low | 46.4 | Very low | 101 Ų | 101 | 119.9 Ų | 119.9 | 40% | 0.396 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 110.6 | 172 | -66.6 | -89.3 | 0 | 0 | 0 | 110.1 | V791 E806 | V791-Y793 HydrophobicContact CB-CE2 3.95Å; V791-Y793 HydrophobicContact CG1-CD2 4.24Å; V791-Y793 HydrophobicContact CG1-CE1 4.37Å; V791-Y793 HydrophobicContact CG1-CE2 3.57Å; Y793-E806 PolarHBondContact N-O 2.85Å; Y793-E806 PolarHBondContact O-N 3.27Å |
| 794 | L | 44.2 | Very low | 46.4 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 109.5 | 175.5 | 174.8 | 64.6 | 0 | 0 | 0 | 110.4 | T796 K803 I805 | L794-T796 HydrophobicContact CD1-CG2 4.13Å; L794-T796 HydrophobicContact CD2-CG2 4.28Å; L794-T796 HydrophobicContact CG-CG2 3.98Å; L794-K803 HydrophobicContact CD1-CB 4.07Å; L794-K803 HydrophobicContact CD1-CD 4.23Å; L794-K803 HydrophobicContact CD1-CG 4.46Å; L794-I805 HydrophobicContact CD1-CG1 3.94Å |
| 795 | Y | 53.8 | Low | 46.7 | Very low | 104 Ų | 104 | 121 Ų | 121 | 41% | 0.408 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.6 | 170.1 | -54.4 | -89.2 | 0 | 0 | 0 | 110 | L804 E806 | Y795-L804 PolarHBondContact N-O 2.9Å; Y795-L804 PolarHBondContact O-N 3.47Å; Y795-E806 HydrophobicContact CD2-CB 4.38Å; Y795-E806 HydrophobicContact CE2-CB 3.81Å; Y795-E806 WeakPolarHBondContact CE2-OE2 3.44Å; Y795-E806 PolarHBondContact OH-OE2 2.82Å |
| 796 | T | 44.9 | Very low | 47.1 | Very low | 78 Ų | 78 | 119.2 Ų | 119.2 | 48% | 0.479 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.8 | 110.4 | 177.3 | 64.6 | 0 | 0 | 0 | 0 | 109.9 | L794 T798 K803 | L794-T796 HydrophobicContact CD1-CG2 4.13Å; L794-T796 HydrophobicContact CD2-CG2 4.28Å; L794-T796 HydrophobicContact CG-CG2 3.98Å; T796-T798 PolarHBondContact O-N 3.08Å; T796-K803 HydrophobicContact CG2-CD 4.41Å; T796-K803 HydrophobicContact CG2-CG 4.06Å |
| 797 | D | 47.5 | Very low | 47.7 | Very low | 87 Ų | 87 | 116.4 Ų | 116.4 | 47% | 0.465 | 60% | 0.604 | S | S | . | * | trans | -73.4 | 123.1 | 172 | -174 | -25.4 | 0 | 0 | 0 | 109.3 | E799 G801 | D797-E799 VanDerWaalsContact C-N 3.34Å; D797-E799 PolarHBondContact O-N 2.9Å; D797-E799 VanDerWaalsContact OD1-CG 3.26Å; D797-E799 WeakPolarHBondContact OD1-CG 3.42Å; D797-E799 PolarHBondContact OD1-N 3Å; D797-G801 WeakPolarHBondContact O-CA 3.44Å; D797-G801 PolarHBondContact O-N 3.47Å | ||
| 798 | T | 51.3 | Low | 47.8 | Very low | 135 Ų | 135 | 113.6 Ų | 113.6 | 83% | 0.828 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -16.3 | -172.4 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | T796 | T796-T798 PolarHBondContact O-N 3.08Š|
| 799 | E | 47.5 | Very low | 47.8 | Very low | 170 Ų | 170 | 111.1 Ų | 111.1 | 79% | 0.794 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -16.8 | -176.7 | 44.7 | -172.1 | 116.9 | 0 | 0 | 114.8 | D797 | D797-E799 VanDerWaalsContact C-N 3.34Å; D797-E799 PolarHBondContact O-N 2.9Å; D797-E799 VanDerWaalsContact OD1-CG 3.26Å; D797-E799 WeakPolarHBondContact OD1-CG 3.42Å; D797-E799 PolarHBondContact OD1-N 3Å |
| 800 | Q | 49.7 | Very low | 47.3 | Very low | 151 Ų | 151 | 108 Ų | 108 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | -8.5 | 172.4 | -57.4 | -164.6 | 28.9 | 0 | 0 | 115.4 | H802 | Q800-H802 PolarHBondContact O-CD2 3Å; Q800-H802 PolarHBondContact O-N 3.05Å |
| 801 | G | 54.8 | Low | 46.9 | Very low | 61 Ų | 61 | 109.7 Ų | 109.7 | 63% | 0.629 | 58% | 0.581 | S | S | * | * | trans | 72.2 | 7.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116 | D797 | D797-G801 WeakPolarHBondContact O-CA 3.44Å; D797-G801 PolarHBondContact O-N 3.47Å | ||
| 802 | H | 39.8 | Very low | 46.4 | Very low | 142 Ų | 142 | 112.6 Ų | 112.6 | 66% | 0.657 | 60% | 0.6 | S | S | * | * | trans | -72.1 | 145 | 168.3 | -71.3 | -93.5 | 0 | 0 | 0 | 110.3 | Q800 | Q800-H802 PolarHBondContact O-CD2 3Å; Q800-H802 PolarHBondContact O-N 3.05Å | ||
| 803 | K | 52.6 | Low | 45.4 | Very low | 152 Ų | 152 | 112.1 Ų | 112.1 | 66% | 0.661 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.6 | 176 | -64.3 | -167.8 | 170.3 | -168.8 | 0 | 109.1 | L794 T796 | L794-K803 HydrophobicContact CD1-CB 4.07Å; L794-K803 HydrophobicContact CD1-CD 4.23Å; L794-K803 HydrophobicContact CD1-CG 4.46Å; T796-K803 HydrophobicContact CG2-CD 4.41Å; T796-K803 HydrophobicContact CG2-CG 4.06Å |
| 804 | L | 45.3 | Very low | 44.6 | Very low | 129 Ų | 129 | 114.5 Ų | 114.5 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 131.6 | 170.4 | -87.4 | 155.6 | 0 | 0 | 0 | 108.6 | Y795 | Y795-L804 PolarHBondContact N-O 2.9Å; Y795-L804 PolarHBondContact O-N 3.47Å |
| 805 | I | 50.2 | Low | 43.9 | Very low | 96 Ų | 96 | 117 Ų | 117 | 49% | 0.492 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.6 | 174.1 | -59.6 | 173.2 | 0 | 0 | 0 | 106.2 | E792 L794 | E792-I805 HydrophobicContact CB-CG2 4.13Å; E792-I805 HydrophobicContact CG-CG2 4.45Å; L794-I805 HydrophobicContact CD1-CG1 3.94Å |
| 806 | E | 49.4 | Very low | 42.9 | Very low | 81 Ų | 81 | 117.4 Ų | 117.4 | 38% | 0.379 | 67% | 0.667 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 101.9 | 175.3 | -176.7 | 171.8 | -125.7 | 0 | 0 | 108.6 | Y793 Y795 | Y793-E806 PolarHBondContact N-O 2.85Å; Y793-E806 PolarHBondContact O-N 3.27Å; Y795-E806 HydrophobicContact CD2-CB 4.38Å; Y795-E806 HydrophobicContact CE2-CB 3.81Å; Y795-E806 WeakPolarHBondContact CE2-OE2 3.44Å; Y795-E806 PolarHBondContact OH-OE2 2.82Å |
| 807 | T | 48 | Very low | 42.2 | Very low | 85 Ų | 85 | 121.5 Ų | 121.5 | 52% | 0.521 | 69% | 0.685 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89 | 105 | 176.8 | 16.8 | 0 | 0 | 0 | 0 | 110.3 | E792 | E792-T807 HydrophobicContact CG-CG2 3.7Å; E792-T807 VanDerWaalsContact OE1-CG2 3.26Å; E792-T807 WeakPolarHBondContact OE1-CG2 3.39Å |
| 808 | H | 38.8 | Very low | 41.3 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 48% | 0.477 | 71% | 0.705 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.4 | 173.5 | -91.1 | -69.8 | 0 | 0 | 0 | 111.6 | ||
| 809 | V | 44.3 | Very low | 40.3 | Very low | 113 Ų | 113 | 123 Ų | 123 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 127.8 | 165.1 | -177 | 0 | 0 | 0 | 0 | 108.3 | ||
| 810 | P | 35.1 | Very low | 39.2 | Very low | 92 Ų | 92 | 118.1 Ų | 118.1 | 60% | 0.597 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -70 | 143.3 | 178.5 | 28.3 | -34 | 0 | 0 | 0 | 111.6 | T812 | P810-T812 PolarHBondContact O-N 2.83Š|
| 811 | P | 36.9 | Very low | 38.2 | Very low | 123 Ų | 123 | 117.1 Ų | 117.1 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -75 | 125.1 | -179.7 | 29.8 | -33.8 | 0 | 0 | 0 | 111.3 | S813 | P811-S813 PolarHBondContact O-N 2.99Š|
| 812 | T | 38 | Very low | 36.8 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 85% | 0.847 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 122.1 | 169.9 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | P810 D814 | P810-T812 PolarHBondContact O-N 2.83Å; T812-D814 PolarHBondContact O-N 3.44Å |
| 813 | S | 31.3 | Very low | 36.1 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | trans | -80.6 | 78.8 | -170 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | P811 | P811-S813 PolarHBondContact O-N 2.99Š| ||
| 814 | D | 33.3 | Very low | 34.9 | Very low | 151 Ų | 151 | 116.1 Ų | 116.1 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | trans | -150.5 | 85.7 | 168.5 | -105.8 | -36.3 | 0 | 0 | 0 | 112.6 | T812 | T812-D814 PolarHBondContact O-N 3.44Š| ||
| 815 | T | 30.2 | Very low | 34 | Very low | 150 Ų | 150 | 117.2 Ų | 117.2 | 92% | 0.92 | 73% | 0.726 | S | S | * | * | trans | 173.6 | 136.7 | 134.2 | 27.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 816 | S | 30.9 | Very low | 33 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | -107.7 | 136.4 | -176.9 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 817 | L | 31.4 | Very low | 32 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | trans | 37.9 | 113.9 | 144.3 | -61 | 169.7 | 0 | 0 | 0 | 118.9 | ||||
| 818 | S | 27.9 | Very low | 31.3 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | -175.1 | 152.1 | 108.9 | 37 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 819 | S | 29.8 | Very low | 31 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -84.2 | 144.2 | 176.1 | -44.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 820 | G | 26.2 | Very low | 30.8 | Very low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -174.4 | 72.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 821 | T | 27.2 | Very low | 30.6 | Very low | 130 Ų | 130 | 130 Ų | 130 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | 34.1 | 109.6 | 145.2 | 53.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 822 | S | 26.3 | Very low | 30.5 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 71.8 | 142.2 | 131.6 | 63.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 823 | T | 25.2 | Very low | 30.6 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | 66.3 | 139.4 | 167 | 54.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 824 | S | 26.7 | Very low | 31 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | cis | -172.5 | 175.8 | -5.6 | 50 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 825 | I | 27.7 | Very low | 31.5 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | 89.1 | 141 | 155.2 | -69.7 | 162.1 | 0 | 0 | 0 | 119.4 | ||||
| 826 | S | 28.2 | Very low | 32.2 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | trans | 61.4 | 107.5 | 159.9 | 66.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 827 | D | 29.4 | Very low | 32.6 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | 63.7 | 157.3 | 110.9 | -51.9 | -40.7 | 0 | 0 | 0 | 123.5 | |||||
| 828 | E | 32.2 | Very low | 33 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | 55.4 | 101.8 | 173.4 | -60.9 | -157 | 138.9 | 0 | 0 | 119 | ||||
| 829 | T | 33 | Very low | 33.5 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 90% | 0.896 | 73% | 0.726 | S | S | * | * | trans | -112.8 | 105.3 | 155.9 | -53.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 830 | V | 39.4 | Very low | 33.8 | Very low | 94 Ų | 94 | 132 Ų | 132 | 57% | 0.57 | 72% | 0.72 | S | S | * | * | trans | -71.9 | 133.5 | 179.8 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | Y832 | V830-Y832 HydrophobicContact CB-CD2 4.43Å; V830-Y832 HydrophobicContact CB-CE2 4.18Å; V830-Y832 HydrophobicContact CG1-CD2 4.31Å; V830-Y832 HydrophobicContact CG1-CE2 4.22Å; V830-Y832 PolarHBondContact O-N 3.19Å | ||
| 831 | L | 31.3 | Very low | 34.2 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 93% | 0.932 | 72% | 0.722 | S | S | * | * | trans | -72.5 | 104.8 | 168.8 | -83.1 | 164.3 | 0 | 0 | 0 | 110.5 | ||||
| 832 | Y | 34.1 | Very low | 34.5 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -82.6 | 122.9 | 172.5 | -83.8 | -92.9 | 0 | 0 | 0 | 111.7 | V830 W834 | V830-Y832 HydrophobicContact CB-CD2 4.43Å; V830-Y832 HydrophobicContact CB-CE2 4.18Å; V830-Y832 HydrophobicContact CG1-CD2 4.31Å; V830-Y832 HydrophobicContact CG1-CE2 4.22Å; V830-Y832 PolarHBondContact O-N 3.19Å; Y832-W834 PolarHBondContact O-N 2.9Å | ||
| 833 | D | 41.6 | Very low | 34.6 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 51% | 0.513 | 73% | 0.726 | S | S | . | * | trans | -79.9 | 108.1 | 166.6 | -172.8 | -9.3 | 0 | 0 | 0 | 109.8 | R835 A836 | D833-R835 PolarHBondContact O-N 3.41Å; D833-R835 WeakPolarHBondContact OD1-CB 3.42Å; D833-R835 WeakPolarHBondContact OD1-CG 3.39Å; D833-R835 PolarHBondContact OD1-N 3.39Å; D833-A836 PolarHBondContact O-N 2.91Å | ||
| 834 | W | 39.4 | Very low | 34.7 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -58.2 | -17 | -179.1 | 60.9 | -89.4 | 0 | 0 | 0 | 114.2 | Y832 A836 L837 | Y832-W834 PolarHBondContact O-N 2.9Å; W834-A836 PolarHBondContact O-N 3.31Å; W834-L837 PolarHBondContact O-N 3.26Å |
| 835 | R | 43 | Very low | 34.7 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -69.5 | -18.5 | 178.4 | -66.7 | 173.1 | 171.6 | 169.6 | -1.8 | 113.6 | D833 L837 | D833-R835 PolarHBondContact O-N 3.41Å; D833-R835 WeakPolarHBondContact OD1-CB 3.42Å; D833-R835 WeakPolarHBondContact OD1-CG 3.39Å; D833-R835 PolarHBondContact OD1-N 3.39Å; R835-L837 VanDerWaalsContact C-N 3.33Å |
| 836 | A | 44.7 | Very low | 34.9 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 58% | 0.579 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -74.3 | -19.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D833 W834 T839 | D833-A836 PolarHBondContact O-N 2.91Å; W834-A836 PolarHBondContact O-N 3.31Å; A836-T839 PolarHBondContact O-OG1 3.41Å |
| 837 | L | 40.2 | Very low | 35.1 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -88.6 | -13.8 | -176.9 | -102.3 | 75.2 | 0 | 0 | 0 | 114.7 | W834 R835 T839 | W834-L837 PolarHBondContact O-N 3.26Å; R835-L837 VanDerWaalsContact C-N 3.33Å; L837-T839 VanDerWaalsContact C-N 3.26Å; L837-T839 PolarHBondContact O-N 3.02Å |
| 838 | Q | 40.3 | Very low | 35 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 4.2 | -174.6 | -67.6 | -170.2 | -26.3 | 0 | 0 | 114.4 | ||
| 839 | T | 38 | Very low | 34.9 | Very low | 120 Ų | 120 | 144 Ų | 144 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -1 | -177.1 | 46.3 | 0 | 0 | 0 | 0 | 115.4 | A836 L837 | A836-T839 PolarHBondContact O-OG1 3.41Å; L837-T839 VanDerWaalsContact C-N 3.26Å; L837-T839 PolarHBondContact O-N 3.02Å |
| 840 | E | 35.8 | Very low | 34.8 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -113.8 | -9.9 | 180 | -61.9 | -160.4 | 149.6 | 0 | 0 | 114.5 | E842 | E840-E842 VanDerWaalsContact C-N 3.3Å; E840-E842 PolarHBondContact O-N 2.89Å |
| 841 | T | 33.7 | Very low | 34 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 36.2 | -176.2 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 842 | E | 33.4 | Very low | 34.5 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.5 | 43.7 | 173.6 | -138 | 171.9 | -109.6 | 0 | 0 | 115.1 | E840 | E840-E842 VanDerWaalsContact C-N 3.3Å; E840-E842 PolarHBondContact O-N 2.89Å |
| 843 | S | 28.7 | Very low | 34 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -137 | 108.6 | 164.1 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 844 | S | 27.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 50.5 | 108.8 | 157.9 | 60.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 845 | K | 26.7 | Very low | 32.4 | Very low | 218 Ų | 218 | 146.1 Ų | 146.1 | 95% | 0.948 | 76% | 0.764 | S | S | * | * | -114.2 | 130.1 | 128 | -84.3 | -167.3 | 174.3 | -172.1 | 0 | 108.8 | |||||
| 846 | G | 31.9 | Very low | 31.7 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -134 | 134.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 847 | K | 32.9 | Very low | 30.7 | Very low | 213 Ų | 213 | 148.4 Ų | 148.4 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | trans | 13.6 | 106.6 | 163 | -60.9 | -178.2 | 179.9 | -176.8 | 0 | 116.7 | ||||
| 848 | E | 28.1 | Very low | 30 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -75.6 | 126.9 | 161.1 | -66.5 | 173.3 | -154.7 | 0 | 0 | 110.2 | ||||
| 849 | N | 29.7 | Very low | 29.4 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -172.4 | 138.1 | 130.7 | -107.2 | -58.7 | 0 | 0 | 0 | 113.6 | ||||
| 850 | L | 30.4 | Very low | 28.8 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | 66.5 | 108.4 | 156.4 | -57 | 172.4 | 0 | 0 | 0 | 120 | ||||
| 851 | Q | 22.1 | Very low | 28.5 | Very low | 184 Ų | 184 | 151.4 Ų | 151.4 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -67.3 | 171.3 | 148.5 | -67.7 | 176.2 | -27.9 | 0 | 0 | 110.4 | ||||
| 852 | P | 41.6 | Very low | 28.3 | Very low | 116 Ų | 116 | 152 Ų | 152 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | cis | -134.1 | -158.6 | 16.5 | 45.1 | -25.5 | 0 | 0 | 0 | 113 | ||||
| 853 | E | 24.7 | Very low | 28.3 | Very low | 154 Ų | 154 | 150 Ų | 150 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -152.4 | -169.7 | 2.9 | -146.6 | -161.3 | -69.3 | 0 | 0 | 111.8 | ||||
| 854 | M | 22 | Very low | 28.7 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -50.4 | 163.3 | 156.9 | -76.6 | 147.5 | 44.8 | 0 | 0 | 113.7 | ||||
| 855 | Q | 25.2 | Very low | 28.9 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | cis | -168.2 | 168 | 5.8 | -109.7 | 171.7 | 22.1 | 0 | 0 | 105.8 | ||||
| 856 | A | 28 | Very low | 29.2 | Very low | 72 Ų | 72 | 147.4 Ų | 147.4 | 60% | 0.595 | 76% | 0.755 | S | S | * | * | cis | -167.5 | 163.7 | -13.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 857 | R | 24.3 | Very low | 29.6 | Very low | 217 Ų | 217 | 156.5 Ų | 156.5 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | trans | 67.6 | 154.2 | 163.7 | -62.9 | 170.2 | 178.4 | -127.5 | 11.9 | 115.2 | ||||
| 858 | E | 25.6 | Very low | 30 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 51% | 0.509 | 75% | 0.753 | S | S | . | * | cis | -156.6 | 133.7 | -6.2 | -124.5 | 171.5 | -115.5 | 0 | 0 | 109.5 | ||||
| 859 | K | 26.7 | Very low | 30.8 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | trans | 67.3 | 161.7 | 167.8 | -38.7 | 173.6 | -179.8 | 88.4 | 0 | 114.4 | ||||
| 860 | E | 27 | Very low | 31.8 | Very low | 174 Ų | 174 | 145.9 Ų | 145.9 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | cis | -128.6 | 173 | 3.9 | -76.1 | -177.2 | 147.4 | 0 | 0 | 112.2 | ||||
| 861 | D | 29.1 | Very low | 32.9 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | trans | 58.2 | 110.9 | 161.3 | -69.7 | 3.7 | 0 | 0 | 0 | 122.8 | ||||
| 862 | D | 29.1 | Very low | 34.4 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | trans | -102.9 | 166 | 173.1 | 172 | 32.4 | 0 | 0 | 0 | 110.6 | ||||
| 863 | K | 33.7 | Very low | 34.9 | Very low | 156 Ų | 156 | 141 Ų | 141 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | trans | 82.7 | 80 | 169.4 | -53.7 | -178.3 | 177 | 58.3 | 0 | 120.1 | ||||
| 864 | S | 37.3 | Very low | 36.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | 41.6 | 90.4 | 114.1 | 67.5 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 865 | E | 30.4 | Very low | 39.1 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | trans | -88 | 114.9 | 157.3 | -72.4 | -133.6 | 106.9 | 0 | 0 | 111.3 | R873 | E865-R873 IonicContact OE1-CZ 3.66Å; E865-R873 IonicContact OE1-NH2 3.94Å; E865-R873 PolarHBondContact OE1-NH2 3.31Å; E865-R873 IonicContact OE2-CZ 2.71Å; E865-R873 IonicContact OE2-NH2 2.74Å; E865-R873 PolarHBondContact OE2-NH2 3Å | ||
| 866 | C | 33.4 | Very low | 41.7 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 76% | 0.757 | 65% | 0.652 | S | S | * | * | trans | -77.8 | 137.5 | 164 | -65.2 | 0 | 0 | 0 | 0 | 110.2 | L868 | C866-L868 PolarHBondContact O-N 3.33Š| ||
| 867 | R | 40.4 | Very low | 44.3 | Very low | 261 Ų | 261 | 128.2 Ų | 128.2 | 99% | 0.985 | 64% | 0.642 | S | S | * | * | trans | -63.5 | 101 | 176.7 | -69.7 | -177.1 | 177.4 | 179.6 | -0.6 | 111.6 | ||||
| 868 | L | 41.7 | Very low | 46.8 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 61% | 0.613 | 64% | 0.639 | S | S | * | * | trans | -89.8 | 157.7 | 165.6 | -71 | 171.3 | 0 | 0 | 0 | 110.7 | C866 | C866-L868 PolarHBondContact O-N 3.33Š| ||
| 869 | L | 45.3 | Very low | 49.3 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 48% | 0.482 | 64% | 0.635 | S | S | . | * | trans | -70.2 | 141.1 | 167.4 | -70.2 | 172.1 | 0 | 0 | 0 | 109.8 | E871 T872 | L869-E871 PolarHBondContact O-N 3.45Å; L869-E871 VanDerWaalsContact O-N 3.1Å; L869-T872 PolarHBondContact O-N 3.12Å; L869-T872 PolarHBondContact O-OG1 3.26Å | ||
| 870 | P | 50.6 | Low | 52 | Low | 109 Ų | 109 | 118.8 Ų | 118.8 | 71% | 0.708 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -54.5 | -36.7 | -169.9 | -28 | 35.3 | 0 | 0 | 0 | 114.6 | T872 R873 | P870-T872 PolarHBondContact O-N 2.89Å; P870-T872 VanDerWaalsContact O-N 3.13Å; P870-R873 PolarHBondContact O-N 3.44Å |
| 871 | E | 53.6 | Low | 54.5 | Low | 161 Ų | 161 | 115.6 Ų | 115.6 | 75% | 0.752 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -70.6 | -8.4 | -171.8 | -63.7 | 148.1 | 146.2 | 0 | 0 | 114.2 | L869 | L869-E871 PolarHBondContact O-N 3.45Å; L869-E871 VanDerWaalsContact O-N 3.1Å |
| 872 | T | 53.8 | Low | 56.9 | Low | 17 Ų | 17 | 112.1 Ų | 112.1 | 10% | 0.104 | 56% | 0.562 | C | S | . | * | G | 310 helix | trans | -98 | -6.4 | -179.3 | 61.2 | 0 | 0 | 0 | 0 | 114 | L869 P870 G874 | L869-T872 PolarHBondContact O-N 3.12Å; L869-T872 PolarHBondContact O-OG1 3.26Å; P870-T872 PolarHBondContact O-N 2.89Å; P870-T872 VanDerWaalsContact O-N 3.13Å; T872-G874 VanDerWaalsContact C-N 3.33Å; T872-G874 PolarHBondContact O-N 3.38Å |
| 873 | R | 50.3 | Low | 59.2 | Low | 182 Ų | 182 | 111.8 Ų | 111.8 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 68 | -171.5 | -153 | -179.3 | -161.7 | -176.8 | 8.2 | 112.4 | E865 P870 | E865-R873 IonicContact OE1-CZ 3.66Å; E865-R873 IonicContact OE1-NH2 3.94Å; E865-R873 PolarHBondContact OE1-NH2 3.31Å; E865-R873 IonicContact OE2-CZ 2.71Å; E865-R873 IonicContact OE2-NH2 2.74Å; E865-R873 PolarHBondContact OE2-NH2 3Å; P870-R873 PolarHBondContact O-N 3.44Å |
| 874 | G | 64.1 | Low | 61.5 | Low | 70 Ų | 70 | 104.5 Ų | 104.5 | 72% | 0.722 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 162.1 | -13.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | T872 T876 | T872-G874 VanDerWaalsContact C-N 3.33Å; T872-G874 PolarHBondContact O-N 3.38Å; G874-T876 PolarHBondContact O-N 3.29Å |
| 875 | M | 71.4 | Confident | 63.6 | Low | 43 Ų | 43 | 103 Ų | 103 | 21% | 0.212 | 51% | 0.506 | C | S | . | . | trans | -57.4 | 132.4 | -171.5 | -63.6 | 179.8 | 179.7 | 0 | 0 | 113.8 | E879 R899 L906 | M875-E879 HydrophobicContact CB-CB 4.41Å; M875-R899 PolarHBondContact O-NH1 3.48Å; M875-R899 PolarHBondContact O-NH2 2.86Å; M875-L906 HydrophobicContact SD-CD2 4.01Å | ||
| 876 | T | 80.7 | Confident | 66 | Low | 76 Ų | 76 | 101.7 Ų | 101.7 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | trans | -67.5 | 164.3 | 173.5 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | G874 R878 E879 L880 | G874-T876 PolarHBondContact O-N 3.29Å; T876-R878 PolarHBondContact O-N 3.49Å; T876-E879 VanDerWaalsContact CB-OE2 3.24Å; T876-E879 WeakPolarHBondContact CB-OE2 3.16Å; T876-E879 VanDerWaalsContact CG2-OE2 3.3Å; T876-E879 WeakPolarHBondContact CG2-OE2 3.35Å; T876-E879 PolarHBondContact N-OE2 3.4Å; T876-E879 PolarHBondContact O-N 2.74Å; T876-E879 VanDerWaalsContact OG1-CD 3.31Å; T876-E879 WeakPolarHBondContact OG1-CG 3.35Å; T876-E879 PolarHBondContact OG1-N 2.66Å; T876-E879 PolarHBondContact OG1-OE2 2.66Å; T876-L880 WeakPolarHBondContact O-CB 3.39Å; T876-L880 PolarHBondContact O-N 2.89Å | ||
| 877 | D | 80.9 | Confident | 67.9 | Low | 69 Ų | 69 | 97.9 Ų | 97.9 | 37% | 0.369 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63 | -26 | 175.3 | -72.3 | -49.6 | 0 | 0 | 0 | 113.3 | R881 I894 R899 | D877-R881 WeakPolarHBondContact O-CB 3.5Å; D877-R881 PolarHBondContact O-N 2.91Å; D877-R881 VanDerWaalsContact O-N 3.07Å; D877-I894 HydrophobicContact CB-CG2 4.29Å; D877-I894 WeakPolarHBondContact OD1-CG2 3.49Å; D877-R899 WeakPolarHBondContact OD1-CD 3.43Å; D877-R899 WeakPolarHBondContact OD1-CG 2.78Å; D877-R899 IonicContact OD1-CZ 3.58Å; D877-R899 IonicContact OD1-NE 3.41Å; D877-R899 IonicContact OD1-NH1 3.56Å; D877-R899 PolarHBondContact OD1-NH1 2.69Å; D877-R899 IonicContact OD2-NH1 3.39Å |
| 878 | R | 77.7 | Confident | 69.4 | Low | 200 Ų | 200 | 89 Ų | 89 | 76% | 0.755 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -71.6 | -43.3 | 174.9 | -172.1 | 176.9 | -179.3 | -179.5 | -0.6 | 111.4 | T876 R881 L882 | T876-R878 PolarHBondContact O-N 3.49Å; R878-R881 PolarHBondContact O-N 2.98Å; R878-L882 HydrophobicContact CG-CD1 4.28Å; R878-L882 WeakPolarHBondContact O-CG 3.48Å; R878-L882 PolarHBondContact O-N 3.18Å |
| 879 | E | 78.8 | Confident | 71.2 | Confident | 95 Ų | 95 | 86.7 Ų | 86.7 | 44% | 0.444 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.3 | -40.3 | 177.4 | -68.6 | 156.2 | 138.5 | 0 | 0 | 111.5 | M875 T876 R881 L882 R883 | M875-E879 HydrophobicContact CB-CB 4.41Å; T876-E879 VanDerWaalsContact CB-OE2 3.24Å; T876-E879 WeakPolarHBondContact CB-OE2 3.16Å; T876-E879 VanDerWaalsContact CG2-OE2 3.3Å; T876-E879 WeakPolarHBondContact CG2-OE2 3.35Å; T876-E879 PolarHBondContact N-OE2 3.4Å; T876-E879 PolarHBondContact O-N 2.74Å; T876-E879 VanDerWaalsContact OG1-CD 3.31Å; T876-E879 WeakPolarHBondContact OG1-CG 3.35Å; T876-E879 PolarHBondContact OG1-N 2.66Å; T876-E879 PolarHBondContact OG1-OE2 2.66Å; E879-R881 VanDerWaalsContact C-N 3.27Å; E879-R881 PolarHBondContact O-N 3.47Å; E879-L882 PolarHBondContact O-N 2.73Å; E879-R883 WeakPolarHBondContact O-CG 3.47Å; E879-R883 PolarHBondContact O-N 2.84Å |
| 880 | L | 81.7 | Confident | 72.3 | Confident | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -57.5 | -41 | 171.7 | 177.2 | 58.1 | 0 | 0 | 0 | 111.6 | T876 L884 I894 R899 L903 L906 | T876-L880 WeakPolarHBondContact O-CB 3.39Å; T876-L880 PolarHBondContact O-N 2.89Å; L880-L884 HydrophobicContact CD1-CD1 4.14Å; L880-L884 HydrophobicContact CG-CD1 4.43Å; L880-L884 WeakPolarHBondContact O-CG 3.26Å; L880-L884 PolarHBondContact O-N 3.49Å; L880-I894 HydrophobicContact CB-CD1 4.41Å; L880-I894 HydrophobicContact CD2-CD1 4.22Å; L880-I894 HydrophobicContact CD2-CG2 4.35Å; L880-I894 HydrophobicContact CG-CD1 4.01Å; L880-R899 HydrophobicContact CD2-CG 3.91Å; L880-L903 HydrophobicContact CD1-CD2 3.87Å; L880-L903 HydrophobicContact CD1-CG 4.16Å; L880-L903 HydrophobicContact CD2-CD2 4.2Å; L880-L903 HydrophobicContact CD2-CG 3.89Å; L880-L906 HydrophobicContact CD1-CB 4.11Å; L880-L906 HydrophobicContact CD1-CD2 3.63Å; L880-L906 HydrophobicContact CD1-CG 4.49Å |
| 881 | R | 80.1 | Confident | 73.5 | Confident | 108 Ų | 108 | 82.7 Ų | 82.7 | 41% | 0.408 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 173.9 | -169 | -179.1 | -177 | 69.8 | 13.1 | 111.9 | D877 R878 E879 L884 V885 P891 G892 I894 | D877-R881 WeakPolarHBondContact O-CB 3.5Å; D877-R881 PolarHBondContact O-N 2.91Å; D877-R881 VanDerWaalsContact O-N 3.07Å; R878-R881 PolarHBondContact O-N 2.98Å; E879-R881 VanDerWaalsContact C-N 3.27Å; E879-R881 PolarHBondContact O-N 3.47Å; R881-L884 PolarHBondContact O-N 2.99Å; R881-V885 WeakPolarHBondContact O-CG2 3.31Å; R881-V885 PolarHBondContact O-N 3.24Å; R881-V885 VanDerWaalsContact O-N 3.15Å; R881-P891 HydrophobicContact CG-CG 3.84Å; R881-P891 VanDerWaalsContact CZ-O 3.23Å; R881-P891 PolarHBondContact NH1-O 3.19Å; R881-P891 PolarHBondContact NH2-O 3.04Å; R881-G892 PolarHBondContact NH1-O 3.06Å; R881-I894 HydrophobicContact CB-CD1 3.82Å; R881-I894 HydrophobicContact CG-CD1 4.42Å |
| 882 | L | 80.1 | Confident | 74.5 | Confident | 92 Ų | 92 | 76.4 Ų | 76.4 | 48% | 0.482 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | -178.4 | -74 | 166.6 | 0 | 0 | 0 | 111.8 | R878 E879 L884 V885 E886 | R878-L882 HydrophobicContact CG-CD1 4.28Å; R878-L882 WeakPolarHBondContact O-CG 3.48Å; R878-L882 PolarHBondContact O-N 3.18Å; E879-L882 PolarHBondContact O-N 2.73Å; L882-L884 VanDerWaalsContact C-N 3.32Å; L882-L884 PolarHBondContact O-N 3.45Å; L882-V885 PolarHBondContact O-N 2.87Å; L882-E886 WeakPolarHBondContact O-CG 3.48Å; L882-E886 PolarHBondContact O-N 2.96Å |
| 883 | R | 76.9 | Confident | 75.6 | Confident | 125 Ų | 125 | 81.3 Ų | 81.3 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 177.4 | -71.2 | -50.9 | -150.4 | 160.2 | 8.3 | 112.8 | E879 V885 E886 L887 L906 | E879-R883 WeakPolarHBondContact O-CG 3.47Å; E879-R883 PolarHBondContact O-N 2.84Å; R883-V885 VanDerWaalsContact C-N 3.33Å; R883-V885 PolarHBondContact O-N 3.13Å; R883-E886 WeakPolarHBondContact CD-OE2 3.22Å; R883-E886 IonicContact CZ-OE2 3.91Å; R883-E886 IonicContact NE-OE2 2.9Å; R883-E886 IonicContact NH1-OE2 2.85Å; R883-E886 PolarHBondContact NH1-OE2 3.33Å; R883-E886 PolarHBondContact O-N 3.16Å; R883-L887 VanDerWaalsContact O-CD1 3.31Å; R883-L887 WeakPolarHBondContact O-CD1 3.48Å; R883-L887 WeakPolarHBondContact O-CG 3.46Å; R883-L887 PolarHBondContact O-N 2.85Å; R883-L906 HydrophobicContact CB-CD1 3.89Å; R883-L906 HydrophobicContact CB-CD2 4.19Å |
| 884 | L | 81.8 | Confident | 77 | Confident | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.016 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66 | -35.5 | 174.4 | -73.3 | 169 | 0 | 0 | 0 | 112.5 | L880 R881 L882 L887 E889 P891 Y902 L906 L909 | L880-L884 HydrophobicContact CD1-CD1 4.14Å; L880-L884 HydrophobicContact CG-CD1 4.43Å; L880-L884 WeakPolarHBondContact O-CG 3.26Å; L880-L884 PolarHBondContact O-N 3.49Å; R881-L884 PolarHBondContact O-N 2.99Å; L882-L884 VanDerWaalsContact C-N 3.32Å; L882-L884 PolarHBondContact O-N 3.45Å; L884-L887 PolarHBondContact O-N 2.67Å; L884-E889 CarbonylContact C-O 3.41Å; L884-E889 WeakPolarHBondContact O-CB 3.1Å; L884-E889 PolarHBondContact O-N 3.41Å; L884-E889 VanDerWaalsContact O-O 3.06Å; L884-P891 HydrophobicContact CB-CG 4.06Å; L884-P891 HydrophobicContact CD1-CB 4.25Å; L884-P891 HydrophobicContact CD1-CG 4.48Å; L884-Y902 HydrophobicContact CD1-CD1 3.66Å; L884-Y902 HydrophobicContact CD1-CG 4.1Å; L884-L906 HydrophobicContact CD2-CB 3.98Å; L884-L906 HydrophobicContact CD2-CD1 4.27Å; L884-L906 HydrophobicContact CG-CB 4.43Å; L884-L909 HydrophobicContact CD2-CD1 3.68Å |
| 885 | V | 82.4 | Confident | 77.6 | Confident | 77 Ų | 77 | 73.5 Ų | 73.5 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.5 | -36.7 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 112.5 | R881 L882 R883 L887 G888 E889 P891 | R881-V885 WeakPolarHBondContact O-CG2 3.31Å; R881-V885 PolarHBondContact O-N 3.24Å; R881-V885 VanDerWaalsContact O-N 3.15Å; L882-V885 PolarHBondContact O-N 2.87Å; R883-V885 VanDerWaalsContact C-N 3.33Å; R883-V885 PolarHBondContact O-N 3.13Å; V885-L887 PolarHBondContact O-N 2.98Å; V885-G888 PolarHBondContact O-N 3.21Å; V885-G888 VanDerWaalsContact O-N 3.14Å; V885-E889 WeakPolarHBondContact CA-O 3.33Å; V885-P891 HydrophobicContact CG2-CG 4.2Å |
| 886 | E | 80.4 | Confident | 77.4 | Confident | 126 Ų | 126 | 76.5 Ų | 76.5 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.3 | -37.5 | 170.8 | -73.1 | 170.7 | -175.7 | 0 | 0 | 111.4 | L882 R883 G888 | L882-E886 WeakPolarHBondContact O-CG 3.48Å; L882-E886 PolarHBondContact O-N 2.96Å; R883-E886 WeakPolarHBondContact CD-OE2 3.22Å; R883-E886 IonicContact CZ-OE2 3.91Å; R883-E886 IonicContact NE-OE2 2.9Å; R883-E886 IonicContact NH1-OE2 2.85Å; R883-E886 PolarHBondContact NH1-OE2 3.33Å; R883-E886 PolarHBondContact O-N 3.16Å; E886-G888 PolarHBondContact O-N 3.09Å |
| 887 | L | 73.1 | Confident | 77.1 | Confident | 33 Ų | 33 | 83.7 Ų | 83.7 | 17% | 0.173 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 16.5 | 177.4 | -62.8 | 166.7 | 0 | 0 | 0 | 113.9 | R883 L884 V885 E889 L906 L909 L910 E913 | R883-L887 VanDerWaalsContact O-CD1 3.31Å; R883-L887 WeakPolarHBondContact O-CD1 3.48Å; R883-L887 WeakPolarHBondContact O-CG 3.46Å; R883-L887 PolarHBondContact O-N 2.85Å; L884-L887 PolarHBondContact O-N 2.67Å; V885-L887 PolarHBondContact O-N 2.98Å; L887-E889 VanDerWaalsContact C-N 3.26Å; L887-E889 PolarHBondContact O-N 3.18Å; L887-L906 HydrophobicContact CD1-CD1 3.38Å; L887-L909 HydrophobicContact CD1-CB 3.86Å; L887-L909 HydrophobicContact CD1-CD1 4.45Å; L887-L910 HydrophobicContact CD1-CD2 4.24Å; L887-L910 HydrophobicContact CD1-CG 4.4Å; L887-E913 HydrophobicContact CD2-CG 3.63Å; L887-E913 WeakPolarHBondContact CD2-OE1 3.27Å; L887-E913 VanDerWaalsContact CD2-OE2 3.23Å; L887-E913 WeakPolarHBondContact CD2-OE2 3.38Å |
| 888 | G | 71.8 | Confident | 77.1 | Confident | 74 Ų | 74 | 82.7 Ų | 82.7 | 76% | 0.763 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 5.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | V885 E886 | V885-G888 PolarHBondContact O-N 3.21Å; V885-G888 VanDerWaalsContact O-N 3.14Å; E886-G888 PolarHBondContact O-N 3.09Å |
| 889 | E | 78.6 | Confident | 77.2 | Confident | 68 Ų | 68 | 76.2 Ų | 76.2 | 32% | 0.318 | 42% | 0.415 | S | S | . | . | trans | -100.6 | 137.5 | -177.1 | -87.4 | -92.9 | -174.8 | 0 | 0 | 111.6 | L884 V885 L887 P891 K905 L909 | L884-E889 CarbonylContact C-O 3.41Å; L884-E889 WeakPolarHBondContact O-CB 3.1Å; L884-E889 PolarHBondContact O-N 3.41Å; L884-E889 VanDerWaalsContact O-O 3.06Å; V885-E889 WeakPolarHBondContact CA-O 3.33Å; L887-E889 VanDerWaalsContact C-N 3.26Å; L887-E889 PolarHBondContact O-N 3.18Å; E889-P891 WeakPolarHBondContact O-CD 3.47Å; E889-K905 VanDerWaalsContact CD-CE 3.5Å; E889-K905 WeakPolarHBondContact OE1-CE 3.4Å; E889-K905 IonicContact OE1-NZ 3.68Å; E889-K905 PolarHBondContact OE1-NZ 3.5Å; E889-K905 IonicContact OE2-NZ 3.46Å; E889-K905 PolarHBondContact OE2-NZ 3.24Å; E889-L909 HydrophobicContact CB-CD1 4.48Å; E889-L909 HydrophobicContact CG-CD1 4.02Å | ||
| 890 | S | 69.4 | Low | 77.2 | Confident | 109 Ų | 109 | 75 Ų | 75 | 76% | 0.762 | 42% | 0.415 | S | S | * | . | trans | -102.1 | 84.7 | -177.7 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 891 | P | 76.5 | Confident | 77.1 | Confident | 8 Ų | 8 | 79.8 Ų | 79.8 | 5% | 0.052 | 44% | 0.444 | C | S | . | . | trans | -64.9 | 139.6 | -178.2 | 26.8 | -36.8 | 0 | 0 | 0 | 112.4 | R881 L884 V885 E889 Y902 | R881-P891 HydrophobicContact CG-CG 3.84Å; R881-P891 VanDerWaalsContact CZ-O 3.23Å; R881-P891 PolarHBondContact NH1-O 3.19Å; R881-P891 PolarHBondContact NH2-O 3.04Å; L884-P891 HydrophobicContact CB-CG 4.06Å; L884-P891 HydrophobicContact CD1-CB 4.25Å; L884-P891 HydrophobicContact CD1-CG 4.48Å; V885-P891 HydrophobicContact CG2-CG 4.2Å; E889-P891 WeakPolarHBondContact O-CD 3.47Å; P891-Y902 HydrophobicContact CB-CD1 4.17Å; P891-Y902 HydrophobicContact CB-CE1 3.68Å | ||
| 892 | G | 74.1 | Confident | 77.1 | Confident | 30 Ų | 30 | 77 Ų | 77 | 31% | 0.309 | 43% | 0.434 | S | S | . | . | trans | -66.7 | -170.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R881 I894 Y902 | R881-G892 PolarHBondContact NH1-O 3.06Å; G892-I894 PolarHBondContact O-N 2.96Å; G892-Y902 PolarHBondContact N-OH 3.23Å | ||
| 893 | P | 75.9 | Confident | 77.1 | Confident | 119 Ų | 119 | 74.3 Ų | 74.3 | 77% | 0.773 | 42% | 0.42 | S | S | * | . | trans | -59.5 | 124 | 176.3 | 24.5 | -33.1 | 0 | 0 | 0 | 110.9 | T898 | P893-T898 PolarHBondContact O-OG1 3.45Š| ||
| 894 | I | 79.8 | Confident | 77.1 | Confident | 36 Ų | 36 | 77.4 Ų | 77.4 | 19% | 0.185 | 43% | 0.432 | C | S | . | . | trans | -83.3 | 125.2 | 176.1 | -54.9 | -172.7 | 0 | 0 | 0 | 107.8 | D877 L880 R881 G892 R899 Y902 | D877-I894 HydrophobicContact CB-CG2 4.29Å; D877-I894 WeakPolarHBondContact OD1-CG2 3.49Å; L880-I894 HydrophobicContact CB-CD1 4.41Å; L880-I894 HydrophobicContact CD2-CD1 4.22Å; L880-I894 HydrophobicContact CD2-CG2 4.35Å; L880-I894 HydrophobicContact CG-CD1 4.01Å; R881-I894 HydrophobicContact CB-CD1 3.82Å; R881-I894 HydrophobicContact CG-CD1 4.42Å; G892-I894 PolarHBondContact O-N 2.96Å; I894-R899 HydrophobicContact CG2-CB 4.01Å; I894-Y902 HydrophobicContact CB-CD2 4.47Å; I894-Y902 HydrophobicContact CD1-CD2 4.38Å; I894-Y902 HydrophobicContact CG1-CD2 3.9Å; I894-Y902 HydrophobicContact CG1-CE2 4.03Å; I894-Y902 HydrophobicContact CG2-CD2 4.29Å | ||
| 895 | S | 77.3 | Confident | 76.9 | Confident | 53 Ų | 53 | 80.2 Ų | 80.2 | 37% | 0.371 | 44% | 0.444 | S | S | . | . | trans | -130.2 | 162.5 | 179.5 | 69 | 0 | 0 | 0 | 0 | 108.8 | R897 T898 R899 | S895-R897 PolarHBondContact O-N 3.06Å; S895-T898 PolarHBondContact N-OG1 2.9Å; S895-T898 PolarHBondContact O-N 2.96Å; S895-T898 PolarHBondContact O-OG1 3.45Å; S895-T898 PolarHBondContact OG-N 2.76Å; S895-T898 PolarHBondContact OG-OG1 2.77Å; S895-R899 WeakPolarHBondContact O-CB 3.49Å; S895-R899 PolarHBondContact O-N 3.13Å | ||
| 896 | S | 67.6 | Low | 76.7 | Confident | 106 Ų | 106 | 76.6 Ų | 76.6 | 74% | 0.741 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -30.4 | -179.8 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | P900 | S896-P900 WeakPolarHBondContact O-CD 3.11Š|
| 897 | R | 75.1 | Confident | 76.3 | Confident | 227 Ų | 227 | 71.7 Ų | 71.7 | 86% | 0.857 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -28.8 | 175.1 | -67 | -172.2 | 177.9 | -162.7 | -0.4 | 114.3 | S895 | S895-R897 PolarHBondContact O-N 3.06Š|
| 898 | T | 79.8 | Confident | 76.5 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -22.9 | -178 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | P893 S895 P900 T901 Y902 | P893-T898 PolarHBondContact O-OG1 3.45Å; S895-T898 PolarHBondContact N-OG1 2.9Å; S895-T898 PolarHBondContact O-N 2.96Å; S895-T898 PolarHBondContact O-OG1 3.45Å; S895-T898 PolarHBondContact OG-N 2.76Å; S895-T898 PolarHBondContact OG-OG1 2.77Å; T898-P900 VanDerWaalsContact C-CD 3.47Å; T898-T901 WeakPolarHBondContact O-CB 3.39Å; T898-T901 PolarHBondContact O-N 3.05Å; T898-Y902 VanDerWaalsContact O-CD2 3.31Å; T898-Y902 WeakPolarHBondContact O-CD2 3.42Å; T898-Y902 PolarHBondContact O-N 2.9Å |
| 899 | R | 80.8 | Confident | 76.6 | Confident | 64 Ų | 64 | 74.1 Ų | 74.1 | 24% | 0.242 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -49.2 | -43.8 | 175.7 | 178.1 | -174.7 | 170.2 | 72.6 | 2.9 | 113.8 | M875 D877 L880 I894 S895 T901 Y902 L903 | M875-R899 PolarHBondContact O-NH1 3.48Å; M875-R899 PolarHBondContact O-NH2 2.86Å; D877-R899 WeakPolarHBondContact OD1-CD 3.43Å; D877-R899 WeakPolarHBondContact OD1-CG 2.78Å; D877-R899 IonicContact OD1-CZ 3.58Å; D877-R899 IonicContact OD1-NE 3.41Å; D877-R899 IonicContact OD1-NH1 3.56Å; D877-R899 PolarHBondContact OD1-NH1 2.69Å; D877-R899 IonicContact OD2-NH1 3.39Å; L880-R899 HydrophobicContact CD2-CG 3.91Å; I894-R899 HydrophobicContact CG2-CB 4.01Å; S895-R899 WeakPolarHBondContact O-CB 3.49Å; S895-R899 PolarHBondContact O-N 3.13Å; R899-T901 VanDerWaalsContact C-N 3.34Å; R899-T901 PolarHBondContact O-N 3.08Å; R899-Y902 PolarHBondContact O-N 3.16Å; R899-L903 HydrophobicContact CG-CD1 4.03Å; R899-L903 WeakPolarHBondContact O-CB 3.27Å; R899-L903 WeakPolarHBondContact O-CG 2.91Å; R899-L903 PolarHBondContact O-N 3.49Å |
| 900 | P | 77.9 | Confident | 76.1 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.2 | -35.9 | 177.5 | -21.1 | 34.2 | 0 | 0 | 0 | 113.2 | S896 T898 R904 | S896-P900 WeakPolarHBondContact O-CD 3.11Å; T898-P900 VanDerWaalsContact C-CD 3.47Å; P900-R904 WeakPolarHBondContact O-CB 3.36Å; P900-R904 PolarHBondContact O-N 2.83Å |
| 901 | T | 78.8 | Confident | 75.8 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 61% | 0.607 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.8 | -42.2 | 176 | -48.9 | 0 | 0 | 0 | 0 | 111 | T898 R899 R904 K905 | T898-T901 WeakPolarHBondContact O-CB 3.39Å; T898-T901 PolarHBondContact O-N 3.05Å; R899-T901 VanDerWaalsContact C-N 3.34Å; R899-T901 PolarHBondContact O-N 3.08Å; T901-R904 PolarHBondContact O-N 3.35Å; T901-K905 WeakPolarHBondContact O-CB 3.48Å; T901-K905 PolarHBondContact O-N 2.99Å |
| 902 | Y | 80.3 | Confident | 75.1 | Confident | 49 Ų | 49 | 77.5 Ų | 77.5 | 19% | 0.192 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 174.7 | -76.1 | -58.6 | 0 | 0 | 0 | 112.6 | L884 P891 G892 I894 T898 R899 K905 L906 | L884-Y902 HydrophobicContact CD1-CD1 3.66Å; L884-Y902 HydrophobicContact CD1-CG 4.1Å; P891-Y902 HydrophobicContact CB-CD1 4.17Å; P891-Y902 HydrophobicContact CB-CE1 3.68Å; G892-Y902 PolarHBondContact N-OH 3.23Å; I894-Y902 HydrophobicContact CB-CD2 4.47Å; I894-Y902 HydrophobicContact CD1-CD2 4.38Å; I894-Y902 HydrophobicContact CG1-CD2 3.9Å; I894-Y902 HydrophobicContact CG1-CE2 4.03Å; I894-Y902 HydrophobicContact CG2-CD2 4.29Å; T898-Y902 VanDerWaalsContact O-CD2 3.31Å; T898-Y902 WeakPolarHBondContact O-CD2 3.42Å; T898-Y902 PolarHBondContact O-N 2.9Å; R899-Y902 PolarHBondContact O-N 3.16Å; Y902-K905 PolarHBondContact O-N 2.91Å; Y902-L906 WeakPolarHBondContact O-CB 3.22Å; Y902-L906 PolarHBondContact O-N 3.26Å |
| 903 | L | 80.4 | Confident | 74.1 | Confident | 36 Ų | 36 | 80.4 Ų | 80.4 | 19% | 0.188 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 171 | -76.6 | 164.4 | 0 | 0 | 0 | 111.4 | L880 R899 K905 L906 C907 | L880-L903 HydrophobicContact CD1-CD2 3.87Å; L880-L903 HydrophobicContact CD1-CG 4.16Å; L880-L903 HydrophobicContact CD2-CD2 4.2Å; L880-L903 HydrophobicContact CD2-CG 3.89Å; R899-L903 HydrophobicContact CG-CD1 4.03Å; R899-L903 WeakPolarHBondContact O-CB 3.27Å; R899-L903 WeakPolarHBondContact O-CG 2.91Å; R899-L903 PolarHBondContact O-N 3.49Å; L903-K905 VanDerWaalsContact C-N 3.27Å; L903-K905 PolarHBondContact O-N 3.2Å; L903-L906 PolarHBondContact O-N 2.8Å; L903-C907 PolarHBondContact O-N 3.18Å; L903-C907 PolarHBondContact O-SG 2.88Å |
| 904 | R | 77.2 | Confident | 72.8 | Confident | 190 Ų | 190 | 80.1 Ų | 80.1 | 72% | 0.717 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.9 | -27.9 | 176.4 | -165.6 | -179.7 | -65.1 | 167.4 | -0.6 | 112.8 | P900 T901 R908 | P900-R904 WeakPolarHBondContact O-CB 3.36Å; P900-R904 PolarHBondContact O-N 2.83Å; T901-R904 PolarHBondContact O-N 3.35Å; R904-R908 PolarHBondContact O-N 3.43Å |
| 905 | K | 78.3 | Confident | 71.1 | Confident | 63 Ų | 63 | 81.8 Ų | 81.8 | 27% | 0.274 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -75 | -42.9 | 171.2 | -162.1 | 176.1 | -176.1 | -179.9 | 0 | 111.4 | E889 T901 Y902 L903 R908 L909 | E889-K905 VanDerWaalsContact CD-CE 3.5Å; E889-K905 WeakPolarHBondContact OE1-CE 3.4Å; E889-K905 IonicContact OE1-NZ 3.68Å; E889-K905 PolarHBondContact OE1-NZ 3.5Å; E889-K905 IonicContact OE2-NZ 3.46Å; E889-K905 PolarHBondContact OE2-NZ 3.24Å; T901-K905 WeakPolarHBondContact O-CB 3.48Å; T901-K905 PolarHBondContact O-N 2.99Å; Y902-K905 PolarHBondContact O-N 2.91Å; L903-K905 VanDerWaalsContact C-N 3.27Å; L903-K905 PolarHBondContact O-N 3.2Å; K905-R908 WeakPolarHBondContact O-CB 3.49Å; K905-R908 PolarHBondContact O-N 3.5Å; K905-R908 VanDerWaalsContact O-N 3.17Å; K905-L909 HydrophobicContact CG-CD1 4.01Å; K905-L909 HydrophobicContact CG-CG 4.49Å; K905-L909 WeakPolarHBondContact O-CG 3.44Å; K905-L909 PolarHBondContact O-N 3.38Å |
| 906 | L | 77 | Confident | 69.5 | Low | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 174.9 | 178.5 | 61.4 | 0 | 0 | 0 | 111.7 | M875 L880 R883 L884 L887 Y902 L903 R908 L909 L910 | M875-L906 HydrophobicContact SD-CD2 4.01Å; L880-L906 HydrophobicContact CD1-CB 4.11Å; L880-L906 HydrophobicContact CD1-CD2 3.63Å; L880-L906 HydrophobicContact CD1-CG 4.49Å; R883-L906 HydrophobicContact CB-CD1 3.89Å; R883-L906 HydrophobicContact CB-CD2 4.19Å; L884-L906 HydrophobicContact CD2-CB 3.98Å; L884-L906 HydrophobicContact CD2-CD1 4.27Å; L884-L906 HydrophobicContact CG-CB 4.43Å; L887-L906 HydrophobicContact CD1-CD1 3.38Å; Y902-L906 WeakPolarHBondContact O-CB 3.22Å; Y902-L906 PolarHBondContact O-N 3.26Å; L903-L906 PolarHBondContact O-N 2.8Å; L906-R908 PolarHBondContact O-N 3.23Å; L906-L909 PolarHBondContact O-N 3.23Å; L906-L910 HydrophobicContact CD1-CD1 3.86Å; L906-L910 HydrophobicContact CD1-CG 3.93Å; L906-L910 HydrophobicContact CG-CD1 3.83Å; L906-L910 HydrophobicContact CG-CG 4.32Å; L906-L910 WeakPolarHBondContact O-CB 3.1Å; L906-L910 WeakPolarHBondContact O-CG 3.4Å; L906-L910 PolarHBondContact O-N 3.04Å |
| 907 | C | 73.3 | Confident | 68.3 | Low | 23 Ų | 23 | 84.1 Ų | 84.1 | 16% | 0.155 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.1 | -33.8 | 176.2 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | L903 Q911 | L903-C907 PolarHBondContact O-N 3.18Å; L903-C907 PolarHBondContact O-SG 2.88Å; C907-Q911 VanDerWaalsContact O-CG 3.26Å; C907-Q911 WeakPolarHBondContact O-CG 3.23Å; C907-Q911 PolarHBondContact O-N 3.19Å; C907-Q911 VanDerWaalsContact O-N 3.15Å |
| 908 | R | 77 | Confident | 66.7 | Low | 133 Ų | 133 | 78.4 Ų | 78.4 | 50% | 0.502 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.2 | -49.1 | 177.5 | -164.7 | -159.1 | -51.1 | 174.7 | 3 | 111.3 | R904 K905 L906 L910 Q911 E912 | R904-R908 PolarHBondContact O-N 3.43Å; K905-R908 WeakPolarHBondContact O-CB 3.49Å; K905-R908 PolarHBondContact O-N 3.5Å; K905-R908 VanDerWaalsContact O-N 3.17Å; L906-R908 PolarHBondContact O-N 3.23Å; R908-L910 VanDerWaalsContact C-N 3.29Å; R908-L910 PolarHBondContact O-N 3.3Å; R908-Q911 CarbonylContact O-C 3.56Å; R908-Q911 WeakPolarHBondContact O-CA 3.22Å; R908-Q911 WeakPolarHBondContact O-CB 3.45Å; R908-Q911 PolarHBondContact O-N 3.16Å; R908-E912 VanDerWaalsContact CD-OE1 3.25Å; R908-E912 WeakPolarHBondContact CD-OE1 3.42Å; R908-E912 VanDerWaalsContact CG-OE1 3.28Å; R908-E912 WeakPolarHBondContact CG-OE1 3.4Å; R908-E912 WeakPolarHBondContact O-CG 3.46Å; R908-E912 PolarHBondContact O-N 3.1Å |
| 909 | L | 72.9 | Confident | 64.8 | Low | 25 Ų | 25 | 78.8 Ų | 78.8 | 13% | 0.131 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 177.8 | -68.2 | 162.7 | 0 | 0 | 0 | 111.7 | L884 L887 E889 K905 L906 E912 E913 | L884-L909 HydrophobicContact CD2-CD1 3.68Å; L887-L909 HydrophobicContact CD1-CB 3.86Å; L887-L909 HydrophobicContact CD1-CD1 4.45Å; E889-L909 HydrophobicContact CB-CD1 4.48Å; E889-L909 HydrophobicContact CG-CD1 4.02Å; K905-L909 HydrophobicContact CG-CD1 4.01Å; K905-L909 HydrophobicContact CG-CG 4.49Å; K905-L909 WeakPolarHBondContact O-CG 3.44Å; K905-L909 PolarHBondContact O-N 3.38Å; L906-L909 PolarHBondContact O-N 3.23Å; L909-E912 CarbonylContact O-C 3.51Å; L909-E912 PolarHBondContact O-N 3.16Å; L909-E913 PolarHBondContact O-N 3.15Å |
| 910 | L | 68.4 | Low | 62.8 | Low | 57 Ų | 57 | 82.5 Ų | 82.5 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.7 | -29.8 | 173 | -69.3 | 172.9 | 0 | 0 | 0 | 113.1 | L887 L906 R908 N914 | L887-L910 HydrophobicContact CD1-CD2 4.24Å; L887-L910 HydrophobicContact CD1-CG 4.4Å; L906-L910 HydrophobicContact CD1-CD1 3.86Å; L906-L910 HydrophobicContact CD1-CG 3.93Å; L906-L910 HydrophobicContact CG-CD1 3.83Å; L906-L910 HydrophobicContact CG-CG 4.32Å; L906-L910 WeakPolarHBondContact O-CB 3.1Å; L906-L910 WeakPolarHBondContact O-CG 3.4Å; L906-L910 PolarHBondContact O-N 3.04Å; R908-L910 VanDerWaalsContact C-N 3.29Å; R908-L910 PolarHBondContact O-N 3.3Å; L910-N914 WeakPolarHBondContact O-CB 3.35Å; L910-N914 PolarHBondContact O-N 3.03Å |
| 911 | Q | 63.6 | Low | 61 | Low | 111 Ų | 111 | 86.4 Ų | 86.4 | 52% | 0.519 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72 | -36.4 | 170.1 | -77.6 | 173.5 | -13.8 | 0 | 0 | 111.6 | C907 R908 N914 C915 | C907-Q911 VanDerWaalsContact O-CG 3.26Å; C907-Q911 WeakPolarHBondContact O-CG 3.23Å; C907-Q911 PolarHBondContact O-N 3.19Å; C907-Q911 VanDerWaalsContact O-N 3.15Å; R908-Q911 CarbonylContact O-C 3.56Å; R908-Q911 WeakPolarHBondContact O-CA 3.22Å; R908-Q911 WeakPolarHBondContact O-CB 3.45Å; R908-Q911 PolarHBondContact O-N 3.16Å; Q911-N914 PolarHBondContact O-N 3.31Å; Q911-C915 PolarHBondContact O-N 2.99Å; Q911-C915 PolarHBondContact O-SG 3.47Å |
| 912 | E | 61 | Low | 59 | Low | 88 Ų | 88 | 84.3 Ų | 84.3 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 173.6 | -70.1 | 161 | -173.2 | 0 | 0 | 110.9 | R908 L909 C915 N916 | R908-E912 VanDerWaalsContact CD-OE1 3.25Å; R908-E912 WeakPolarHBondContact CD-OE1 3.42Å; R908-E912 VanDerWaalsContact CG-OE1 3.28Å; R908-E912 WeakPolarHBondContact CG-OE1 3.4Å; R908-E912 WeakPolarHBondContact O-CG 3.46Å; R908-E912 PolarHBondContact O-N 3.1Å; L909-E912 CarbonylContact O-C 3.51Å; L909-E912 PolarHBondContact O-N 3.16Å; E912-C915 WeakPolarHBondContact O-CB 3.31Å; E912-C915 PolarHBondContact O-N 2.69Å; E912-C915 VanDerWaalsContact O-N 3.16Å; E912-N916 WeakPolarHBondContact O-CB 3.42Å; E912-N916 VanDerWaalsContact O-CG 3.24Å; E912-N916 PolarHBondContact O-N 3.2Å; E912-N916 PolarHBondContact O-ND2 2.85Å |
| 913 | E | 54.7 | Low | 56.9 | Low | 90 Ų | 90 | 87.8 Ų | 87.8 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 169.5 | -80.9 | -150.2 | 139 | 0 | 0 | 113.3 | L887 L909 C915 N916 T917 | L887-E913 HydrophobicContact CD2-CG 3.63Å; L887-E913 WeakPolarHBondContact CD2-OE1 3.27Å; L887-E913 VanDerWaalsContact CD2-OE2 3.23Å; L887-E913 WeakPolarHBondContact CD2-OE2 3.38Å; L909-E913 PolarHBondContact O-N 3.15Å; E913-C915 PolarHBondContact O-N 3.46Å; E913-N916 PolarHBondContact O-N 3.34Å; E913-T917 WeakPolarHBondContact O-CB 3.39Å; E913-T917 WeakPolarHBondContact O-CG2 3.46Å; E913-T917 PolarHBondContact O-N 3.03Å; E913-T917 PolarHBondContact O-OG1 2.99Å |
| 914 | N | 48 | Very low | 55 | Low | 113 Ų | 113 | 89.6 Ų | 89.6 | 60% | 0.604 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.8 | -16.3 | 172.2 | -89.3 | -23.9 | 0 | 0 | 0 | 112.9 | L910 Q911 | L910-N914 WeakPolarHBondContact O-CB 3.35Å; L910-N914 PolarHBondContact O-N 3.03Å; Q911-N914 PolarHBondContact O-N 3.31Å |
| 915 | C | 43.8 | Very low | 53.2 | Low | 71 Ų | 71 | 84.3 Ų | 84.3 | 48% | 0.48 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -78.2 | -44.9 | 165 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | Q911 E912 E913 | Q911-C915 PolarHBondContact O-N 2.99Å; Q911-C915 PolarHBondContact O-SG 3.47Å; E912-C915 WeakPolarHBondContact O-CB 3.31Å; E912-C915 PolarHBondContact O-N 2.69Å; E912-C915 VanDerWaalsContact O-N 3.16Å; E913-C915 PolarHBondContact O-N 3.46Å |
| 916 | N | 43.3 | Very low | 51.3 | Low | 108 Ų | 108 | 87.7 Ų | 87.7 | 58% | 0.578 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -80.6 | -31.4 | -172.3 | -67.6 | -19 | 0 | 0 | 0 | 114.5 | E912 E913 Q918 S919 | E912-N916 WeakPolarHBondContact O-CB 3.42Å; E912-N916 VanDerWaalsContact O-CG 3.24Å; E912-N916 PolarHBondContact O-N 3.2Å; E912-N916 PolarHBondContact O-ND2 2.85Å; E913-N916 PolarHBondContact O-N 3.34Å; N916-Q918 PolarHBondContact O-N 3.38Å; N916-S919 WeakPolarHBondContact O-CB 3.42Å; N916-S919 PolarHBondContact O-N 3.43Å; N916-S919 PolarHBondContact O-OG 3.4Å |
| 917 | T | 42.1 | Very low | 49.6 | Very low | 100 Ų | 100 | 95.5 Ų | 95.5 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -6.6 | 174.1 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | E913 | E913-T917 WeakPolarHBondContact O-CB 3.39Å; E913-T917 WeakPolarHBondContact O-CG2 3.46Å; E913-T917 PolarHBondContact O-N 3.03Å; E913-T917 PolarHBondContact O-OG1 2.99Å |
| 918 | Q | 42.6 | Very low | 48.4 | Very low | 107 Ų | 107 | 95.8 Ų | 95.8 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 8.7 | 168.1 | -61.1 | -168.3 | -47.2 | 0 | 0 | 112.6 | N916 D920 N921 K922 | N916-Q918 PolarHBondContact O-N 3.38Å; Q918-D920 PolarHBondContact O-N 2.64Å; Q918-N921 PolarHBondContact O-N 3.07Å; Q918-K922 HydrophobicContact CB-CD 3.7Å; Q918-K922 VanDerWaalsContact CB-CE 3.44Å; Q918-K922 HydrophobicContact CB-CG 4.08Å; Q918-K922 VanDerWaalsContact O-CB 3.23Å; Q918-K922 WeakPolarHBondContact O-CB 3.46Å; Q918-K922 VanDerWaalsContact O-CG 3.29Å; Q918-K922 WeakPolarHBondContact O-CG 3.12Å; Q918-K922 PolarHBondContact O-N 2.99Å |
| 919 | S | 39.3 | Very low | 46.9 | Very low | 56 Ų | 56 | 98.8 Ų | 98.8 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | -175.7 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | N916 N921 K922 Q923 | N916-S919 WeakPolarHBondContact O-CB 3.42Å; N916-S919 PolarHBondContact O-N 3.43Å; N916-S919 PolarHBondContact O-OG 3.4Å; S919-N921 PolarHBondContact O-N 2.78Å; S919-K922 PolarHBondContact O-N 3.18Å; S919-Q923 WeakPolarHBondContact O-CG 3.47Å |
| 920 | D | 39.8 | Very low | 45.7 | Very low | 142 Ų | 142 | 101.8 Ų | 101.8 | 76% | 0.759 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74.8 | -3.6 | 179.1 | -72.5 | -36.7 | 0 | 0 | 0 | 114.9 | Q918 | Q918-D920 PolarHBondContact O-N 2.64Å |
| 921 | N | 38.7 | Very low | 45.3 | Very low | 152 Ų | 152 | 100.7 Ų | 100.7 | 81% | 0.813 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -128.7 | 0.1 | 171.3 | -99.6 | -46.7 | 0 | 0 | 0 | 114.6 | Q918 S919 | Q918-N921 PolarHBondContact O-N 3.07Å; S919-N921 PolarHBondContact O-N 2.78Å |
| 922 | K | 38.2 | Very low | 45.6 | Very low | 56 Ų | 56 | 97 Ų | 97 | 24% | 0.243 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -98 | -5.5 | 176.3 | -81.5 | 178.4 | -179.9 | 162.9 | 0 | 115.3 | Q918 S919 S924 D925 Q926 | Q918-K922 HydrophobicContact CB-CD 3.7Å; Q918-K922 VanDerWaalsContact CB-CE 3.44Å; Q918-K922 HydrophobicContact CB-CG 4.08Å; Q918-K922 VanDerWaalsContact O-CB 3.23Å; Q918-K922 WeakPolarHBondContact O-CB 3.46Å; Q918-K922 VanDerWaalsContact O-CG 3.29Å; Q918-K922 WeakPolarHBondContact O-CG 3.12Å; Q918-K922 PolarHBondContact O-N 2.99Å; S919-K922 PolarHBondContact O-N 3.18Å; K922-S924 PolarHBondContact O-N 3Å; K922-S924 VanDerWaalsContact O-N 3.09Å; K922-D925 PolarHBondContact O-N 3.19Å; K922-Q926 PolarHBondContact O-N 3.14Å |
| 923 | Q | 35.9 | Very low | 46.7 | Very low | 121 Ų | 121 | 93.9 Ų | 93.9 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.1 | -174.6 | -61.6 | -156.2 | 20 | 0 | 0 | 114.6 | S919 R927 | S919-Q923 WeakPolarHBondContact O-CG 3.47Å; Q923-R927 PolarHBondContact O-NE 3.28Å |
| 924 | S | 39.1 | Very low | 48.2 | Very low | 74 Ų | 74 | 90 Ų | 90 | 52% | 0.517 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -51.8 | 168.8 | 49.9 | 0 | 0 | 0 | 0 | 112 | K922 Q928 | K922-S924 PolarHBondContact O-N 3Å; K922-S924 VanDerWaalsContact O-N 3.09Å; S924-Q928 PolarHBondContact O-N 3.08Å |
| 925 | D | 39.3 | Very low | 49.9 | Very low | 79 Ų | 79 | 88.7 Ų | 88.7 | 42% | 0.422 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -80.5 | -35.5 | -162.7 | -141.2 | 65.1 | 0 | 0 | 0 | 114.1 | K922 K942 | K922-D925 PolarHBondContact O-N 3.19Å; D925-K942 WeakPolarHBondContact OD1-CE 3.23Å; D925-K942 IonicContact OD1-NZ 2.66Å; D925-K942 PolarHBondContact OD1-NZ 3.36Å; D925-K942 IonicContact OD2-NZ 3.18Å; D925-K942 PolarHBondContact OD2-NZ 3.44Å |
| 926 | Q | 40 | Very low | 51.9 | Low | 135 Ų | 135 | 85.9 Ų | 85.9 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -72.1 | -34.9 | 175.8 | -115.5 | 171.5 | -20.1 | 0 | 0 | 112.1 | K922 Q928 K929 | K922-Q926 PolarHBondContact O-N 3.14Å; Q926-Q928 VanDerWaalsContact C-N 3.27Å; Q926-Q928 PolarHBondContact O-N 2.99Å; Q926-K929 PolarHBondContact O-N 3.42Å |
| 927 | R | 41.7 | Very low | 54.1 | Low | 164 Ų | 164 | 80.8 Ų | 80.8 | 62% | 0.619 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.4 | -37.6 | 177.6 | -157.1 | -179.8 | -56.2 | -148.4 | -0.9 | 111.4 | Q923 A930 | Q923-R927 PolarHBondContact O-NE 3.28Å; R927-A930 PolarHBondContact O-N 2.95Å |
| 928 | Q | 47.6 | Very low | 56.2 | Low | 29 Ų | 29 | 77.4 Ų | 77.4 | 14% | 0.136 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -77.5 | -21.6 | -178.7 | -68.4 | -179.7 | -0.8 | 0 | 0 | 114.6 | S924 Q926 A930 L931 | S924-Q928 PolarHBondContact O-N 3.08Å; Q926-Q928 VanDerWaalsContact C-N 3.27Å; Q926-Q928 PolarHBondContact O-N 2.99Å; Q928-A930 VanDerWaalsContact C-N 3.26Å; Q928-A930 PolarHBondContact O-N 2.67Å; Q928-L931 HydrophobicContact CG-CD1 4.3Å; Q928-L931 PolarHBondContact O-N 3.38Å |
| 929 | K | 44.9 | Very low | 58.2 | Low | 197 Ų | 197 | 77.1 Ų | 77.1 | 86% | 0.857 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -74.9 | -16.2 | 174.7 | -131.1 | 176.2 | -175.3 | 179.1 | 0 | 113.4 | Q926 | Q926-K929 PolarHBondContact O-N 3.42Å |
| 930 | A | 48.3 | Very low | 60.6 | Low | 87 Ų | 87 | 74.6 Ų | 74.6 | 72% | 0.719 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -91 | -17.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R927 Q928 G932 | R927-A930 PolarHBondContact O-N 2.95Å; Q928-A930 VanDerWaalsContact C-N 3.26Å; Q928-A930 PolarHBondContact O-N 2.67Å; A930-G932 VanDerWaalsContact C-N 3.25Å; A930-G932 PolarHBondContact O-N 3.09Å |
| 931 | L | 59.7 | Low | 62.8 | Low | 35 Ų | 35 | 68 Ų | 68 | 18% | 0.183 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -78.1 | 13 | -164.3 | -91.9 | 165.9 | 0 | 0 | 0 | 116.3 | Q928 Y933 H1009 M1088 | Q928-L931 HydrophobicContact CG-CD1 4.3Å; Q928-L931 PolarHBondContact O-N 3.38Å; L931-Y933 HydrophobicContact CB-CD2 3.77Å; L931-Y933 HydrophobicContact CB-CE2 3.82Å; L931-Y933 HydrophobicContact CD1-CE2 4.28Å; L931-Y933 HydrophobicContact CD2-CE2 4.14Å; L931-Y933 HydrophobicContact CG-CE2 4.31Å; L931-Y933 WeakPolarHBondContact O-CD2 3.46Å; L931-Y933 PolarHBondContact O-N 3.2Å; L931-H1009 VanDerWaalsContact CD1-NE2 3.31Å; L931-H1009 WeakPolarHBondContact CD1-NE2 3.5Å; L931-M1088 HydrophobicContact CD2-CE 3.59Å; L931-M1088 WeakPolarHBondContact O-CG 3.41Å |
| 932 | G | 70 | Confident | 65 | Low | 34 Ų | 34 | 64.6 Ų | 64.6 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | trans | 64.4 | -8.8 | 167 | 0 | 0 | 0 | 0 | 0 | 118.5 | A930 | A930-G932 VanDerWaalsContact C-N 3.25Å; A930-G932 PolarHBondContact O-N 3.09Å | ||
| 933 | Y | 84.1 | Confident | 67.3 | Low | 22 Ų | 22 | 65.1 Ų | 65.1 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | trans | -63.9 | 163 | -178.7 | -61.9 | -57.2 | 0 | 0 | 0 | 113.3 | L931 L937 L941 I1008 H1009 I1084 M1088 | L931-Y933 HydrophobicContact CB-CD2 3.77Å; L931-Y933 HydrophobicContact CB-CE2 3.82Å; L931-Y933 HydrophobicContact CD1-CE2 4.28Å; L931-Y933 HydrophobicContact CD2-CE2 4.14Å; L931-Y933 HydrophobicContact CG-CE2 4.31Å; L931-Y933 WeakPolarHBondContact O-CD2 3.46Å; L931-Y933 PolarHBondContact O-N 3.2Å; Y933-L937 HydrophobicContact CD1-CD2 3.87Å; Y933-L937 HydrophobicContact CG-CD2 4.12Å; Y933-L941 HydrophobicContact CD2-CD1 3.98Å; Y933-L941 HydrophobicContact CE2-CD1 4.16Å; Y933-I1008 HydrophobicContact CE1-CG2 3.91Å; Y933-I1008 HydrophobicContact CE2-CG2 4.5Å; Y933-H1009 AromaticContact CE2-NE2 3.84Å; Y933-H1009 PolarHBondContact OH-CD2 2.98Å; Y933-H1009 VanDerWaalsContact OH-CD2 3.29Å; Y933-I1084 WeakPolarHBondContact CA-O 3.23Å; Y933-I1084 HydrophobicContact CD1-CG2 4.06Å; Y933-I1084 WeakPolarHBondContact CD1-O 3.26Å; Y933-I1084 HydrophobicContact CE1-CG2 4Å; Y933-M1088 HydrophobicContact CD1-CB 4.12Å; Y933-M1088 HydrophobicContact CD1-CG 3.8Å; Y933-M1088 HydrophobicContact CE1-CB 3.78Å; Y933-M1088 HydrophobicContact CE1-CE 4.2Å; Y933-M1088 HydrophobicContact CE1-CG 3.71Å; Y933-M1088 HydrophobicContact CE2-CE 4.49Å; Y933-M1088 HydrophobicContact CG-CG 4.46Å | ||
| 934 | S | 85.9 | Confident | 69.7 | Low | 8 Ų | 8 | 61.8 Ų | 61.8 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | trans | -62.1 | 148.4 | 172.3 | 74.8 | 0 | 0 | 0 | 0 | 111.5 | D936 L937 C938 A1083 | S934-D936 PolarHBondContact O-N 3.19Å; S934-D936 VanDerWaalsContact O-N 3.17Å; S934-L937 PolarHBondContact O-N 3.45Å; S934-L937 VanDerWaalsContact O-N 3.14Å; S934-L937 WeakPolarHBondContact OG-CB 3.23Å; S934-L937 PolarHBondContact OG-N 2.95Å; S934-C938 PolarHBondContact O-N 3.04Å; S934-C938 PolarHBondContact O-SG 3.48Å; S934-A1083 VanDerWaalsContact CB-O 3.23Å; S934-A1083 WeakPolarHBondContact CB-O 3.49Å; S934-A1083 PolarHBondContact OG-O 3Å | ||
| 935 | P | 83 | Confident | 71.9 | Confident | 86 Ų | 86 | 65.1 Ų | 65.1 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.2 | -26.9 | -178.8 | 26.2 | -35.4 | 0 | 0 | 0 | 112.4 | R939 | P935-R939 WeakPolarHBondContact O-CB 3.43Å; P935-R939 PolarHBondContact O-N 3Å |
| 936 | D | 87.2 | Confident | 74.1 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.064 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.6 | -44.4 | 176.5 | -55.3 | -66 | 0 | 0 | 0 | 111.6 | S934 R939 V940 R1110 I1114 | S934-D936 PolarHBondContact O-N 3.19Å; S934-D936 VanDerWaalsContact O-N 3.17Å; D936-R939 WeakPolarHBondContact O-CB 3.3Å; D936-R939 PolarHBondContact O-N 2.68Å; D936-R939 IonicContact OD1-CZ 2.66Å; D936-R939 VanDerWaalsContact OD1-CZ 3.28Å; D936-R939 IonicContact OD1-NH1 2.67Å; D936-R939 PolarHBondContact OD1-NH1 3.41Å; D936-R939 IonicContact OD1-NH2 3.76Å; D936-R939 PolarHBondContact OD1-NH2 2.83Å; D936-V940 WeakPolarHBondContact O-CG2 3.33Å; D936-V940 PolarHBondContact O-N 3.16Å; D936-V940 VanDerWaalsContact O-N 3.13Å; D936-R1110 HydrophobicContact CB-CB 4.42Å; D936-R1110 WeakPolarHBondContact OD2-CD 3.44Å; D936-R1110 IonicContact OD2-NH1 2.67Å; D936-I1114 HydrophobicContact CB-CD1 3.95Å |
| 937 | L | 87.9 | Confident | 76 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -42 | 172.8 | 180 | 58.9 | 0 | 0 | 0 | 111.2 | Y933 S934 R939 V940 L941 F1004 I1008 A1083 I1084 I1114 | Y933-L937 HydrophobicContact CD1-CD2 3.87Å; Y933-L937 HydrophobicContact CG-CD2 4.12Å; S934-L937 PolarHBondContact O-N 3.45Å; S934-L937 VanDerWaalsContact O-N 3.14Å; S934-L937 WeakPolarHBondContact OG-CB 3.23Å; S934-L937 PolarHBondContact OG-N 2.95Å; L937-R939 VanDerWaalsContact C-N 3.29Å; L937-R939 PolarHBondContact O-N 3.48Å; L937-V940 PolarHBondContact O-N 3.12Å; L937-V940 VanDerWaalsContact O-N 3.17Å; L937-L941 HydrophobicContact CD1-CD1 4.18Å; L937-L941 HydrophobicContact CD1-CD2 4.32Å; L937-L941 HydrophobicContact CD1-CG 3.96Å; L937-L941 HydrophobicContact CG-CD1 3.88Å; L937-L941 HydrophobicContact CG-CG 4.16Å; L937-L941 WeakPolarHBondContact O-CB 3.15Å; L937-L941 VanDerWaalsContact O-CG 3.27Å; L937-L941 WeakPolarHBondContact O-CG 3.34Å; L937-L941 PolarHBondContact O-N 2.77Å; L937-F1004 HydrophobicContact CD1-CE1 4.13Å; L937-F1004 HydrophobicContact CD1-CZ 4.28Å; L937-I1008 HydrophobicContact CD1-CD1 4.47Å; L937-I1008 HydrophobicContact CD2-CG2 4.07Å; L937-A1083 WeakPolarHBondContact CB-O 3.23Å; L937-A1083 WeakPolarHBondContact CD2-O 3.21Å; L937-I1084 HydrophobicContact CD2-CG1 4.24Å; L937-I1114 HydrophobicContact CB-CD1 4.28Å; L937-I1114 HydrophobicContact CB-CG1 4.32Å; L937-I1114 HydrophobicContact CD1-CG1 4.23Å |
| 938 | C | 86.3 | Confident | 77.8 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56 | -41.1 | 173.8 | -74.7 | 0 | 0 | 0 | 0 | 112.8 | S934 K942 | S934-C938 PolarHBondContact O-N 3.04Å; S934-C938 PolarHBondContact O-SG 3.48Å; C938-K942 WeakPolarHBondContact O-CG 3.25Å; C938-K942 PolarHBondContact O-N 2.66Å |
| 939 | R | 85.8 | Confident | 79.6 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 38% | 0.381 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 175.1 | 179 | 174.1 | 65.3 | -107.1 | 4.4 | 111 | P935 D936 L937 K942 T943 E1111 | P935-R939 WeakPolarHBondContact O-CB 3.43Å; P935-R939 PolarHBondContact O-N 3Å; D936-R939 WeakPolarHBondContact O-CB 3.3Å; D936-R939 PolarHBondContact O-N 2.68Å; D936-R939 IonicContact OD1-CZ 2.66Å; D936-R939 VanDerWaalsContact OD1-CZ 3.28Å; D936-R939 IonicContact OD1-NH1 2.67Å; D936-R939 PolarHBondContact OD1-NH1 3.41Å; D936-R939 IonicContact OD1-NH2 3.76Å; D936-R939 PolarHBondContact OD1-NH2 2.83Å; L937-R939 VanDerWaalsContact C-N 3.29Å; L937-R939 PolarHBondContact O-N 3.48Å; R939-K942 PolarHBondContact O-N 3.21Å; R939-T943 PolarHBondContact O-N 3.39Å; R939-T943 PolarHBondContact O-OG1 2.64Å; R939-E1111 IonicContact NH2-OE1 3.98Å |
| 940 | V | 88.6 | Confident | 81.5 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.9 | -37.1 | -179.3 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | D936 L937 K942 F944 L946 F1004 I1114 | D936-V940 WeakPolarHBondContact O-CG2 3.33Å; D936-V940 PolarHBondContact O-N 3.16Å; D936-V940 VanDerWaalsContact O-N 3.13Å; L937-V940 PolarHBondContact O-N 3.12Å; L937-V940 VanDerWaalsContact O-N 3.17Å; V940-K942 PolarHBondContact O-N 2.93Å; V940-F944 WeakPolarHBondContact O-CA 3.13Å; V940-F944 PolarHBondContact O-N 3.13Å; V940-L946 HydrophobicContact CG1-CD2 3.9Å; V940-F1004 HydrophobicContact CG1-CE1 4.1Å; V940-I1114 HydrophobicContact CB-CG2 4.32Å; V940-I1114 HydrophobicContact CG1-CG2 3.98Å; V940-I1114 HydrophobicContact CG2-CD1 4.21Å; V940-I1114 HydrophobicContact CG2-CG2 4.21Å |
| 941 | L | 86.9 | Confident | 83.4 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -28 | 174.7 | -68.6 | 171 | 0 | 0 | 0 | 112.4 | Y933 L937 Q1001 F1004 Q1005 I1008 | Y933-L941 HydrophobicContact CD2-CD1 3.98Å; Y933-L941 HydrophobicContact CE2-CD1 4.16Å; L937-L941 HydrophobicContact CD1-CD1 4.18Å; L937-L941 HydrophobicContact CD1-CD2 4.32Å; L937-L941 HydrophobicContact CD1-CG 3.96Å; L937-L941 HydrophobicContact CG-CD1 3.88Å; L937-L941 HydrophobicContact CG-CG 4.16Å; L937-L941 WeakPolarHBondContact O-CB 3.15Å; L937-L941 VanDerWaalsContact O-CG 3.27Å; L937-L941 WeakPolarHBondContact O-CG 3.34Å; L937-L941 PolarHBondContact O-N 2.77Å; L941-Q1001 PolarHBondContact O-NE2 3.04Å; L941-F1004 HydrophobicContact CD2-CD1 3.92Å; L941-F1004 HydrophobicContact CD2-CE1 4.04Å; L941-Q1005 HydrophobicContact CB-CG 4.43Å; L941-Q1005 HydrophobicContact CD2-CB 4.44Å; L941-Q1005 HydrophobicContact CD2-CG 3.85Å; L941-Q1005 PolarHBondContact O-NE2 2.86Å; L941-I1008 HydrophobicContact CD1-CG2 4.31Å; L941-I1008 HydrophobicContact CD2-CB 4.31Å; L941-I1008 HydrophobicContact CD2-CG1 4.3Å; L941-I1008 HydrophobicContact CD2-CG2 4.36Å |
| 942 | K | 85.3 | Confident | 84.8 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 35% | 0.348 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -84.8 | -44.6 | 176.5 | -73.7 | -174 | -179.6 | -163 | 0 | 114.5 | D925 C938 R939 V940 Q1001 | D925-K942 WeakPolarHBondContact OD1-CE 3.23Å; D925-K942 IonicContact OD1-NZ 2.66Å; D925-K942 PolarHBondContact OD1-NZ 3.36Å; D925-K942 IonicContact OD2-NZ 3.18Å; D925-K942 PolarHBondContact OD2-NZ 3.44Å; C938-K942 WeakPolarHBondContact O-CG 3.25Å; C938-K942 PolarHBondContact O-N 2.66Å; R939-K942 PolarHBondContact O-N 3.21Å; V940-K942 PolarHBondContact O-N 2.93Å; K942-Q1001 VanDerWaalsContact C-NE2 3.3Å; K942-Q1001 PolarHBondContact O-NE2 3.19Å |
| 943 | T | 86.1 | Confident | 85.8 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -101.6 | -11.6 | -172.8 | 66.9 | 0 | 0 | 0 | 0 | 114.3 | R939 Q945 | R939-T943 PolarHBondContact O-N 3.39Å; R939-T943 PolarHBondContact O-OG1 2.64Å; T943-Q945 PolarHBondContact O-N 3.21Å; T943-Q945 WeakPolarHBondContact OG1-CB 3.19Å; T943-Q945 PolarHBondContact OG1-N 2.94Å; T943-Q945 PolarHBondContact OG1-OE1 2.67Å |
| 944 | F | 86.8 | Confident | 86.1 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | trans | 53.7 | 15.5 | -169.5 | -158.8 | -116.6 | 0 | 0 | 0 | 115.3 | V940 L946 P1000 Q1001 F1004 Y1118 | V940-F944 WeakPolarHBondContact O-CA 3.13Å; V940-F944 PolarHBondContact O-N 3.13Å; F944-L946 HydrophobicContact CZ-CD1 4.24Å; F944-L946 PolarHBondContact O-N 3.49Å; F944-P1000 HydrophobicContact CE1-CB 3.68Å; F944-P1000 HydrophobicContact CE2-CB 4.47Å; F944-P1000 WeakPolarHBondContact CE2-O 3.37Å; F944-P1000 HydrophobicContact CZ-CB 3.56Å; F944-Q1001 HydrophobicContact CB-CB 3.99Å; F944-Q1001 HydrophobicContact CB-CG 3.99Å; F944-Q1001 HydrophobicContact CD2-CB 3.8Å; F944-Q1001 HydrophobicContact CD2-CG 4.1Å; F944-Q1001 HydrophobicContact CE2-CB 4.44Å; F944-Q1001 HydrophobicContact CG-CB 3.85Å; F944-Q1001 HydrophobicContact CG-CG 4.25Å; F944-F1004 HydrophobicContact CE2-CB 3.86Å; F944-F1004 HydrophobicContact CE2-CD1 4.4Å; F944-F1004 HydrophobicContact CE2-CG 4.35Å; F944-Y1118 HydrophobicContact CE2-CE2 4.39Å; F944-Y1118 AromaticContact CZ-CE2 3.93Å; F944-Y1118 HydrophobicContact CZ-CE2 3.93Å | ||
| 945 | Q | 85.6 | Confident | 86.2 | Confident | 143 Ų | 143 | 53.4 Ų | 53.4 | 67% | 0.668 | 28% | 0.284 | S | S | * | . | trans | -78.9 | 85.4 | 176.4 | -67.9 | 170.1 | -20.7 | 0 | 0 | 110.2 | T943 | T943-Q945 PolarHBondContact O-N 3.21Å; T943-Q945 WeakPolarHBondContact OG1-CB 3.19Å; T943-Q945 PolarHBondContact OG1-N 2.94Å; T943-Q945 PolarHBondContact OG1-OE1 2.67Å | ||
| 946 | L | 84.1 | Confident | 86.5 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | trans | -62.3 | 133.9 | 178.4 | -67.8 | 162.4 | 0 | 0 | 0 | 111.4 | V940 F944 I1114 Y1118 | V940-L946 HydrophobicContact CG1-CD2 3.9Å; F944-L946 HydrophobicContact CZ-CD1 4.24Å; F944-L946 PolarHBondContact O-N 3.49Å; L946-I1114 HydrophobicContact CD2-CG2 4.42Å; L946-Y1118 HydrophobicContact CD1-CD1 3.78Å; L946-Y1118 HydrophobicContact CD1-CD2 3.63Å; L946-Y1118 HydrophobicContact CD1-CE1 3.73Å; L946-Y1118 HydrophobicContact CD1-CE2 3.6Å; L946-Y1118 HydrophobicContact CD1-CG 3.72Å; L946-Y1118 HydrophobicContact CD2-CD1 4.5Å; L946-Y1118 HydrophobicContact CD2-CD2 3.87Å; L946-Y1118 HydrophobicContact CD2-CG 3.8Å; L946-Y1118 HydrophobicContact CG-CD2 4.41Å; L946-Y1118 HydrophobicContact CG-CG 4.44Å | ||
| 947 | P | 81.1 | Confident | 86.5 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | trans | -68.3 | 133.3 | 173.1 | 28.6 | -33.7 | 0 | 0 | 0 | 110.6 | S949 E1111 I1114 | P947-S949 PolarHBondContact O-N 3.15Å; P947-E1111 HydrophobicContact CB-CB 3.89Å; P947-E1111 HydrophobicContact CB-CG 4.11Å; P947-E1111 HydrophobicContact CG-CB 4.02Å; P947-E1111 HydrophobicContact CG-CG 4.33Å; P947-E1111 WeakPolarHBondContact CG-O 3.41Å; P947-I1114 HydrophobicContact CG-CB 4.17Å; P947-I1114 HydrophobicContact CG-CG2 4.18Å | ||
| 948 | N | 79.3 | Confident | 86.4 | Confident | 146 Ų | 146 | 55.6 Ų | 55.6 | 78% | 0.781 | 29% | 0.289 | S | S | * | . | trans | -80 | 58.6 | 177.9 | -168.2 | 6.2 | 0 | 0 | 0 | 112 | H950 | N948-H950 PolarHBondContact O-N 3.43Š| ||
| 949 | S | 84.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 26.2 | -180 | -58.8 | 0 | 0 | 0 | 0 | 113.4 | P947 D952 E953 E1111 L1112 | P947-S949 PolarHBondContact O-N 3.15Å; S949-D952 WeakPolarHBondContact O-CB 3.5Å; S949-D952 PolarHBondContact O-N 3.05Å; S949-E953 PolarHBondContact O-N 3.47Å; S949-E1111 PolarHBondContact OG-O 3.09Å; S949-L1112 PolarHBondContact OG-N 3.43Å |
| 950 | H | 85.6 | Confident | 86.1 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | -179.8 | -173 | 61 | 0 | 0 | 0 | 111.9 | N948 D952 E953 Q954 | N948-H950 PolarHBondContact O-N 3.43Å; H950-D952 PolarHBondContact O-N 3.48Å; H950-E953 PolarHBondContact O-N 3.25Å; H950-Q954 PolarHBondContact O-N 3.3Å |
| 951 | G | 87.4 | Confident | 85.7 | Confident | 38 Ų | 38 | 54.1 Ų | 54.1 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.3 | -26.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S955 | G951-S955 WeakPolarHBondContact O-CB 3.49Å; G951-S955 PolarHBondContact O-N 3.39Å; G951-S955 PolarHBondContact O-OG 3.27Å |
| 952 | D | 89.6 | Confident | 85 | Confident | 24 Ų | 24 | 60.3 Ų | 60.3 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.9 | -43.7 | 173.7 | -81.7 | 9.1 | 0 | 0 | 0 | 111.5 | S949 H950 Q954 S955 L956 W1104 R1108 L1112 | S949-D952 WeakPolarHBondContact O-CB 3.5Å; S949-D952 PolarHBondContact O-N 3.05Å; H950-D952 PolarHBondContact O-N 3.48Å; D952-Q954 VanDerWaalsContact C-N 3.31Å; D952-Q954 PolarHBondContact O-N 3.22Å; D952-S955 WeakPolarHBondContact O-CB 3.4Å; D952-S955 PolarHBondContact O-N 3.42Å; D952-L956 PolarHBondContact O-N 3.01Å; D952-W1104 HydrophobicContact CB-CH2 3.62Å; D952-W1104 HydrophobicContact CB-CZ3 3.72Å; D952-W1104 WeakPolarHBondContact O-CH2 3.49Å; D952-R1108 VanDerWaalsContact CG-NE 3.29Å; D952-R1108 IonicContact OD1-CZ 2.77Å; D952-R1108 VanDerWaalsContact OD1-CZ 3.31Å; D952-R1108 IonicContact OD1-NE 2.64Å; D952-R1108 PolarHBondContact OD1-NE 2.97Å; D952-R1108 VanDerWaalsContact OD1-NE 3.13Å; D952-R1108 IonicContact OD1-NH2 2.66Å; D952-R1108 PolarHBondContact OD1-NH2 2.88Å; D952-R1108 WeakPolarHBondContact OD2-CG 3.38Å; D952-R1108 IonicContact OD2-CZ 2.67Å; D952-R1108 IonicContact OD2-NE 3.27Å; D952-R1108 PolarHBondContact OD2-NE 3.01Å; D952-R1108 IonicContact OD2-NH2 3.36Å; D952-L1112 HydrophobicContact CB-CD1 4.36Å |
| 953 | E | 91.4 | Very high | 84.3 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 171.1 | -176 | 167.9 | -167.8 | 0 | 0 | 111.4 | S949 H950 S955 L956 C957 R1076 L1112 H1115 R1119 | S949-E953 PolarHBondContact O-N 3.47Å; H950-E953 PolarHBondContact O-N 3.25Å; E953-S955 VanDerWaalsContact C-N 3.31Å; E953-S955 PolarHBondContact O-N 2.92Å; E953-L956 WeakPolarHBondContact O-CB 3.36Å; E953-L956 PolarHBondContact O-N 2.95Å; E953-C957 PolarHBondContact O-N 3.47Å; E953-C957 PolarHBondContact O-SG 3.48Å; E953-R1076 IonicContact OE1-CZ 2.71Å; E953-R1076 IonicContact OE1-NE 3.75Å; E953-R1076 PolarHBondContact OE1-NE 3.07Å; E953-R1076 IonicContact OE1-NH2 3.8Å; E953-R1076 PolarHBondContact OE1-NH2 3.21Å; E953-L1112 HydrophobicContact CB-CD1 3.84Å; E953-H1115 IonicContact OE2-CD2 3.28Å; E953-R1119 IonicContact OE1-NH1 2.93Å; E953-R1119 PolarHBondContact OE1-NH1 2.79Å; E953-R1119 IonicContact OE2-CZ 2.85Å; E953-R1119 IonicContact OE2-NH1 2.92Å; E953-R1119 PolarHBondContact OE2-NH1 3.44Å |
| 954 | Q | 88.8 | Confident | 83.6 | Confident | 108 Ų | 108 | 58.3 Ų | 58.3 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175.6 | -157.4 | -172.4 | 22.7 | 0 | 0 | 111.3 | H950 D952 L956 C957 Q958 | H950-Q954 PolarHBondContact O-N 3.3Å; D952-Q954 VanDerWaalsContact C-N 3.31Å; D952-Q954 PolarHBondContact O-N 3.22Å; Q954-L956 PolarHBondContact O-N 2.94Å; Q954-C957 PolarHBondContact O-N 3.2Å; Q954-Q958 HydrophobicContact CG-CG 4.45Å; Q954-Q958 WeakPolarHBondContact O-CB 3.34Å; Q954-Q958 VanDerWaalsContact O-CG 3.23Å; Q954-Q958 WeakPolarHBondContact O-CG 3.04Å; Q954-Q958 PolarHBondContact O-N 2.91Å |
| 955 | S | 88.4 | Confident | 82.7 | Confident | 41 Ų | 41 | 63 Ų | 63 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | G951 D952 E953 | G951-S955 WeakPolarHBondContact O-CB 3.49Å; G951-S955 PolarHBondContact O-N 3.39Å; G951-S955 PolarHBondContact O-OG 3.27Å; D952-S955 WeakPolarHBondContact O-CB 3.4Å; D952-S955 PolarHBondContact O-N 3.42Å; E953-S955 VanDerWaalsContact C-N 3.31Å; E953-S955 PolarHBondContact O-N 2.92Å |
| 956 | L | 88.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -52.1 | 170.7 | 175.3 | 92.4 | 0 | 0 | 0 | 110.6 | D952 E953 Q954 F960 E1072 T1075 R1076 V1101 | D952-L956 PolarHBondContact O-N 3.01Å; E953-L956 WeakPolarHBondContact O-CB 3.36Å; E953-L956 PolarHBondContact O-N 2.95Å; Q954-L956 PolarHBondContact O-N 2.94Å; L956-F960 HydrophobicContact CD1-CD2 4.29Å; L956-F960 HydrophobicContact CD1-CE2 3.74Å; L956-F960 HydrophobicContact CG-CD2 4.22Å; L956-F960 HydrophobicContact CG-CE2 4.17Å; L956-F960 WeakPolarHBondContact O-CD2 3.49Å; L956-E1072 HydrophobicContact CD2-CG 4.4Å; L956-T1075 HydrophobicContact CD1-CG2 3.57Å; L956-R1076 HydrophobicContact CD2-CG 4Å; L956-V1101 HydrophobicContact CB-CG2 4.38Å; L956-V1101 HydrophobicContact CD1-CB 4.47Å; L956-V1101 HydrophobicContact CD1-CG2 3.61Å |
| 957 | C | 87.9 | Confident | 81.6 | Confident | 29 Ų | 29 | 67 Ų | 67 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.2 | -44.1 | -174.6 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | E953 Q954 Q959 F960 D961 R1076 | E953-C957 PolarHBondContact O-N 3.47Å; E953-C957 PolarHBondContact O-SG 3.48Å; Q954-C957 PolarHBondContact O-N 3.2Å; C957-Q959 VanDerWaalsContact C-N 3.26Å; C957-Q959 PolarHBondContact O-N 3.41Å; C957-F960 CarbonylContact O-C 3.58Å; C957-F960 PolarHBondContact O-N 3.12Å; C957-D961 WeakPolarHBondContact O-CB 3.5Å; C957-D961 PolarHBondContact O-N 2.94Å; C957-R1076 PolarHBondContact SG-NH2 3.32Å |
| 958 | Q | 86.2 | Confident | 81.4 | Confident | 113 Ų | 113 | 76 Ų | 76 | 53% | 0.528 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -53.5 | -41.1 | -178.1 | -79.4 | 171 | 7.3 | 0 | 0 | 112.9 | Q954 Q962 | Q954-Q958 HydrophobicContact CG-CG 4.45Å; Q954-Q958 WeakPolarHBondContact O-CB 3.34Å; Q954-Q958 VanDerWaalsContact O-CG 3.23Å; Q954-Q958 WeakPolarHBondContact O-CG 3.04Å; Q954-Q958 PolarHBondContact O-N 2.91Å; Q958-Q962 PolarHBondContact O-N 3.42Å |
| 959 | Q | 82.9 | Confident | 81.5 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.9 | -35 | 178.4 | -176 | 175 | 45 | 0 | 0 | 113 | C957 Q962 | C957-Q959 VanDerWaalsContact C-N 3.26Å; C957-Q959 PolarHBondContact O-N 3.41Å; Q959-Q962 CarbonylContact O-C 3.45Å; Q959-Q962 VanDerWaalsContact O-C 3.31Å |
| 960 | F | 82.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -93.8 | -9 | -176.8 | -60.1 | -51.3 | 0 | 0 | 0 | 113.6 | L956 C957 P963 W969 I1069 V1071 E1072 | L956-F960 HydrophobicContact CD1-CD2 4.29Å; L956-F960 HydrophobicContact CD1-CE2 3.74Å; L956-F960 HydrophobicContact CG-CD2 4.22Å; L956-F960 HydrophobicContact CG-CE2 4.17Å; L956-F960 WeakPolarHBondContact O-CD2 3.49Å; C957-F960 CarbonylContact O-C 3.58Å; C957-F960 PolarHBondContact O-N 3.12Å; F960-P963 WeakPolarHBondContact O-CD 3.34Å; F960-W969 HydrophobicContact CD1-CH2 4.46Å; F960-W969 HydrophobicContact CE1-CE3 4.38Å; F960-W969 AromaticContact CE1-CH2 3.74Å; F960-W969 HydrophobicContact CE1-CH2 3.74Å; F960-W969 HydrophobicContact CE1-CZ2 4.28Å; F960-W969 AromaticContact CE1-CZ3 3.82Å; F960-W969 HydrophobicContact CE1-CZ3 3.82Å; F960-I1069 HydrophobicContact CB-CD1 3.85Å; F960-I1069 HydrophobicContact CB-CG1 4.06Å; F960-I1069 HydrophobicContact CD1-CD1 3.5Å; F960-I1069 VanDerWaalsContact CD1-CD1 3.5Å; F960-I1069 HydrophobicContact CD1-CG1 4.27Å; F960-I1069 HydrophobicContact CE1-CD1 4.3Å; F960-I1069 HydrophobicContact CG-CD1 3.92Å; F960-I1069 HydrophobicContact CG-CG1 4.27Å; F960-V1071 HydrophobicContact CE1-CB 4.4Å; F960-V1071 HydrophobicContact CE1-CG1 3.67Å; F960-V1071 HydrophobicContact CZ-CG1 3.84Å; F960-E1072 HydrophobicContact CB-CB 4.06Å; F960-E1072 HydrophobicContact CB-CG 4.21Å; F960-E1072 HydrophobicContact CD2-CB 3.5Å; F960-E1072 VanDerWaalsContact CD2-CB 3.5Å; F960-E1072 HydrophobicContact CD2-CG 3.59Å; F960-E1072 HydrophobicContact CE2-CB 4.01Å; F960-E1072 HydrophobicContact CE2-CG 4.28Å; F960-E1072 HydrophobicContact CG-CB 3.81Å; F960-E1072 HydrophobicContact CG-CG 4.19Å |
| 961 | D | 80.3 | Confident | 81.3 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 32% | 0.321 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -79.1 | -23.7 | 164.6 | -91.7 | -32.5 | 0 | 0 | 0 | 113.4 | R564 C957 P963 K975 | R564-D961 VanDerWaalsContact CZ-O 3.27Å; R564-D961 PolarHBondContact NE-O 3.02Å; R564-D961 VanDerWaalsContact NE-O 3.15Å; R564-D961 PolarHBondContact NH1-O 3.11Å; C957-D961 WeakPolarHBondContact O-CB 3.5Å; C957-D961 PolarHBondContact O-N 2.94Å; D961-P963 VanDerWaalsContact C-CD 3.46Å; D961-K975 IonicContact OD1-NZ 3.85Å; D961-K975 PolarHBondContact OD1-NZ 2.96Å |
| 962 | Q | 73 | Confident | 81.2 | Confident | 135 Ų | 135 | 74.6 Ų | 74.6 | 63% | 0.631 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -127.1 | 66.2 | 167.9 | -63.8 | -159 | 94.4 | 0 | 0 | 110.8 | R564 Q958 Q959 D964 | R564-Q962 VanDerWaalsContact NH2-OE1 3.09Å; Q958-Q962 PolarHBondContact O-N 3.42Å; Q959-Q962 CarbonylContact O-C 3.45Å; Q959-Q962 VanDerWaalsContact O-C 3.31Å; Q962-D964 PolarHBondContact O-N 3.19Å |
| 963 | P | 70.9 | Confident | 81.1 | Confident | 23 Ų | 23 | 74.9 Ų | 74.9 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | trans | -67.7 | 121.5 | -178.2 | 27.7 | -30 | 0 | 0 | 0 | 109.3 | F960 D961 Q965 I973 I1069 | F960-P963 WeakPolarHBondContact O-CD 3.34Å; D961-P963 VanDerWaalsContact C-CD 3.46Å; P963-Q965 PolarHBondContact O-N 3.38Å; P963-Q965 VanDerWaalsContact O-N 3.11Å; P963-I973 HydrophobicContact CB-CD1 4.15Å; P963-I973 HydrophobicContact CB-CG1 4.18Å; P963-I973 HydrophobicContact CB-CG2 4.44Å; P963-I973 HydrophobicContact CG-CB 4.46Å; P963-I973 HydrophobicContact CG-CD1 4.19Å; P963-I973 HydrophobicContact CG-CG1 4.21Å; P963-I973 HydrophobicContact CG-CG2 3.57Å; P963-I1069 HydrophobicContact CB-CD1 4.42Å | ||
| 964 | D | 71.1 | Confident | 80.9 | Confident | 82 Ų | 82 | 78.6 Ų | 78.6 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | trans | -53.4 | 118.7 | -175.3 | -48.7 | -68.9 | 0 | 0 | 0 | 110.7 | Q962 N966 R967 | Q962-D964 PolarHBondContact O-N 3.19Å; D964-N966 PolarHBondContact O-N 3.49Å; D964-N966 VanDerWaalsContact O-N 3.15Å; D964-R967 HydrophobicContact CB-CB 3.81Å; D964-R967 PolarHBondContact O-N 3.19Å | ||
| 965 | Q | 66.6 | Low | 80.9 | Confident | 149 Ų | 149 | 76.8 Ų | 76.8 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.2 | 179.8 | -72.8 | 168.7 | 67.8 | 0 | 0 | 111.9 | P963 | P963-Q965 PolarHBondContact O-N 3.38Å; P963-Q965 VanDerWaalsContact O-N 3.11Å |
| 966 | N | 68.9 | Low | 80.9 | Confident | 166 Ų | 166 | 77.4 Ų | 77.4 | 89% | 0.888 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -16.5 | 175.9 | -60.9 | -3 | 0 | 0 | 0 | 112.9 | D964 | D964-N966 PolarHBondContact O-N 3.49Å; D964-N966 VanDerWaalsContact O-N 3.15Å |
| 967 | R | 77.8 | Confident | 81.1 | Confident | 115 Ų | 115 | 77.3 Ų | 77.3 | 43% | 0.434 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -99.4 | 117 | -178 | -169.9 | 168.2 | 178.8 | -178.4 | 3.4 | 110.4 | D964 W969 | D964-R967 HydrophobicContact CB-CB 3.81Å; D964-R967 PolarHBondContact O-N 3.19Å; R967-W969 HydrophobicContact CB-CZ2 4.5Å; R967-W969 HydrophobicContact CG-CD2 4.35Å; R967-W969 HydrophobicContact CG-CZ2 4.19Å; R967-W969 PolarHBondContact O-N 2.65Å |
| 968 | K | 77.1 | Confident | 81.3 | Confident | 214 Ų | 214 | 77.3 Ų | 77.3 | 93% | 0.93 | 37% | 0.373 | S | S | * | . | trans | -73.5 | 95.1 | 178.8 | -68.2 | 177.3 | -178.4 | 171.5 | 0 | 110.9 | ||||
| 969 | W | 82.3 | Confident | 81.7 | Confident | 23 Ų | 23 | 71.9 Ų | 71.9 | 9% | 0.087 | 35% | 0.348 | C | S | . | . | trans | -76.9 | 139.5 | 177.8 | -65.2 | 108.8 | 0 | 0 | 0 | 112.7 | F960 R967 E971 G972 I973 V1071 | F960-W969 HydrophobicContact CD1-CH2 4.46Å; F960-W969 HydrophobicContact CE1-CE3 4.38Å; F960-W969 AromaticContact CE1-CH2 3.74Å; F960-W969 HydrophobicContact CE1-CH2 3.74Å; F960-W969 HydrophobicContact CE1-CZ2 4.28Å; F960-W969 AromaticContact CE1-CZ3 3.82Å; F960-W969 HydrophobicContact CE1-CZ3 3.82Å; R967-W969 HydrophobicContact CB-CZ2 4.5Å; R967-W969 HydrophobicContact CG-CD2 4.35Å; R967-W969 HydrophobicContact CG-CZ2 4.19Å; R967-W969 PolarHBondContact O-N 2.65Å; W969-E971 PolarHBondContact O-N 3.44Å; W969-G972 PolarHBondContact O-N 2.96Å; W969-I973 HydrophobicContact CB-CG1 4.49Å; W969-I973 HydrophobicContact CG-CG1 4.5Å; W969-V1071 HydrophobicContact CB-CG2 3.91Å; W969-V1071 HydrophobicContact CE3-CB 4.33Å; W969-V1071 HydrophobicContact CE3-CG1 3.7Å; W969-V1071 HydrophobicContact CE3-CG2 4.08Å; W969-V1071 HydrophobicContact CZ3-CG1 3.9Å | ||
| 970 | R | 83.8 | Confident | 82.3 | Confident | 114 Ų | 114 | 70 Ų | 70 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 131.4 | 178.5 | 177.7 | -170.8 | -94.1 | -179.2 | 3.2 | 110.4 | G972 V1071 Y1074 D1096 Y1098 | R970-G972 PolarHBondContact O-N 3.14Å; R970-V1071 HydrophobicContact CB-CG2 4.21Å; R970-V1071 WeakPolarHBondContact O-CG2 3.37Å; R970-Y1074 HydrophobicContact CG-CE2 4.43Å; R970-D1096 IonicContact CZ-OD2 2.74Å; R970-D1096 IonicContact NH1-OD2 3.45Å; R970-D1096 PolarHBondContact NH1-OD2 2.92Å; R970-D1096 IonicContact NH2-OD2 3.38Å; R970-D1096 PolarHBondContact NH2-OD2 3.39Å; R970-Y1098 WeakPolarHBondContact CD-OH 3.24Å; R970-Y1098 PolarHBondContact NE-OH 2.67Å; R970-Y1098 PolarHBondContact NH1-OH 2.86Å |
| 971 | E | 82.6 | Confident | 82.9 | Confident | 89 Ų | 89 | 70 Ų | 70 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 14.2 | -174.4 | -63.8 | -178.3 | -171.1 | 0 | 0 | 115.5 | W969 K1016 K1018 P1070 Y1074 | W969-E971 PolarHBondContact O-N 3.44Å; E971-K1016 IonicContact OE1-NZ 2.65Å; E971-K1016 PolarHBondContact OE1-NZ 3.39Å; E971-K1016 IonicContact OE2-NZ 2.89Å; E971-K1016 PolarHBondContact OE2-NZ 3.3Å; E971-K1018 WeakPolarHBondContact OE2-CE 3.36Å; E971-K1018 IonicContact OE2-NZ 3.26Å; E971-K1018 PolarHBondContact OE2-NZ 3.38Å; E971-P1070 HydrophobicContact CB-CB 3.73Å; E971-P1070 HydrophobicContact CB-CG 3.81Å; E971-Y1074 PolarHBondContact OE1-OH 3.08Å |
| 972 | G | 85.7 | Confident | 83.5 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | trans | 83.4 | -174.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | W969 R970 P1070 | W969-G972 PolarHBondContact O-N 2.96Å; R970-G972 PolarHBondContact O-N 3.14Å; G972-P1070 WeakPolarHBondContact O-CD 3.41Å | ||
| 973 | I | 86.8 | Confident | 84.6 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -96.6 | -9 | -172.3 | -71.8 | 178.2 | 0 | 0 | 0 | 112.8 | T569 P963 W969 K975 I1069 | T569-I973 HydrophobicContact CG2-CB 3.84Å; T569-I973 HydrophobicContact CG2-CD1 3.97Å; T569-I973 HydrophobicContact CG2-CG1 4.28Å; T569-I973 HydrophobicContact CG2-CG2 4.3Å; P963-I973 HydrophobicContact CB-CD1 4.15Å; P963-I973 HydrophobicContact CB-CG1 4.18Å; P963-I973 HydrophobicContact CB-CG2 4.44Å; P963-I973 HydrophobicContact CG-CB 4.46Å; P963-I973 HydrophobicContact CG-CD1 4.19Å; P963-I973 HydrophobicContact CG-CG1 4.21Å; P963-I973 HydrophobicContact CG-CG2 3.57Å; W969-I973 HydrophobicContact CB-CG1 4.49Å; W969-I973 HydrophobicContact CG-CG1 4.5Å; I973-K975 PolarHBondContact O-N 3.15Å; I973-K975 VanDerWaalsContact O-N 3.11Å; I973-I1069 VanDerWaalsContact O-CG2 3.27Å; I973-I1069 WeakPolarHBondContact O-CG2 3.13Å |
| 974 | I | 86.5 | Confident | 85.7 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 46% | 0.462 | 29% | 0.289 | S | S | . | . | trans | -66.5 | 114.6 | -172.6 | -51.9 | 178 | 0 | 0 | 0 | 110.7 | S976 | I974-S976 VanDerWaalsContact C-N 3.31Å; I974-S976 WeakPolarHBondContact O-CB 3.21Å; I974-S976 PolarHBondContact O-N 3.31Å; I974-S976 PolarHBondContact O-OG 3.37Å | ||
| 975 | K | 89.2 | Confident | 86.8 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -62.3 | 87.5 | 171.5 | -75.8 | -170.4 | 173.1 | -150.3 | 0 | 110.3 | D961 I973 N1067 I1069 | D961-K975 IonicContact OD1-NZ 3.85Å; D961-K975 PolarHBondContact OD1-NZ 2.96Å; I973-K975 PolarHBondContact O-N 3.15Å; I973-K975 VanDerWaalsContact O-N 3.11Å; K975-N1067 WeakPolarHBondContact CB-O 3.39Å; K975-N1067 WeakPolarHBondContact CD-O 3.44Å; K975-I1069 HydrophobicContact CD-CG2 4.47Å; K975-I1069 HydrophobicContact CG-CG2 3.49Å; K975-I1069 VanDerWaalsContact CG-CG2 3.49Å |
| 976 | S | 89.4 | Confident | 88 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | trans | -146.5 | 2.5 | -166.8 | 58.1 | 0 | 0 | 0 | 0 | 113 | I974 V1068 | I974-S976 VanDerWaalsContact C-N 3.31Å; I974-S976 WeakPolarHBondContact O-CB 3.21Å; I974-S976 PolarHBondContact O-N 3.31Å; I974-S976 PolarHBondContact O-OG 3.37Å; S976-V1068 PolarHBondContact N-O 3.13Å; S976-V1068 VanDerWaalsContact N-O 3.16Å | ||
| 977 | S | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 161.2 | -178.2 | -47.3 | 0 | 0 | 0 | 0 | 110.1 | G1017 K1018 N1067 V1068 P1070 | S977-G1017 WeakPolarHBondContact CA-O 3.27Å; S977-K1018 WeakPolarHBondContact OG-CE 3.41Å; S977-N1067 PolarHBondContact O-N 3.01Å; S977-V1068 WeakPolarHBondContact CA-O 3.18Å; S977-V1068 WeakPolarHBondContact CB-O 3.48Å; S977-V1068 PolarHBondContact N-O 3.44Å; S977-V1068 PolarHBondContact O-N 3.15Å; S977-P1070 WeakPolarHBondContact OG-CA 3.07Å; S977-P1070 WeakPolarHBondContact OG-CG 3.42Å |
| 978 | F | 93.3 | Very high | 89.8 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 170.6 | 173.6 | 56.9 | -81.8 | 0 | 0 | 0 | 108.8 | Y980 K1016 G1017 P1022 H1063 F1065 Q1066 | F978-Y980 HydrophobicContact CE2-CD1 4.39Å; F978-K1016 CarbonylContact O-C 3.56Å; F978-K1016 WeakPolarHBondContact O-CA 3.02Å; F978-G1017 PolarHBondContact N-O 3.49Å; F978-G1017 VanDerWaalsContact N-O 3.13Å; F978-G1017 PolarHBondContact O-N 2.9Å; F978-P1022 HydrophobicContact CE2-CG 3.55Å; F978-P1022 HydrophobicContact CZ-CG 3.55Å; F978-H1063 HydrophobicContact CD2-CB 4.3Å; F978-H1063 HydrophobicContact CE2-CB 4.45Å; F978-H1063 AromaticContact CE2-CD2 3.8Å; F978-H1063 AromaticContact CE2-CE1 3.99Å; F978-H1063 AromaticContact CE2-CG 3.83Å; F978-H1063 AromaticContact CE2-ND1 3.95Å; F978-H1063 AromaticContact CE2-NE2 3.9Å; F978-F1065 WeakPolarHBondContact CA-O 3.42Å; F978-Q1066 HydrophobicContact CB-CB 4.41Å; F978-Q1066 HydrophobicContact CB-CG 4.18Å |
| 979 | N | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 150.3 | 166.8 | -70.1 | 105.3 | 0 | 0 | 0 | 109.6 | G1015 C1064 F1065 A1073 R1076 M1080 | N979-G1015 CarbonylContact C-O 3.4Å; N979-G1015 WeakPolarHBondContact CA-O 3.49Å; N979-C1064 CarbonylContact C-O 3.6Å; N979-C1064 PolarHBondContact N-O 3.2Å; N979-C1064 PolarHBondContact O-N 3.31Å; N979-F1065 HydrophobicContact CB-CD2 4.15Å; N979-A1073 PolarHBondContact ND2-O 2.94Å; N979-R1076 VanDerWaalsContact OD1-CB 3.31Å; N979-R1076 WeakPolarHBondContact OD1-CB 3.4Å; N979-M1080 HydrophobicContact CB-CE 4.04Å |
| 980 | Y | 94.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.9 | 171.1 | 69.3 | -81.3 | 0 | 0 | 0 | 111.6 | F978 L982 Y1013 G1015 P1022 H1025 L1062 | F978-Y980 HydrophobicContact CE2-CD1 4.39Å; Y980-L982 HydrophobicContact CD2-CD2 4.23Å; Y980-L982 HydrophobicContact CD2-CG 4.43Å; Y980-L982 HydrophobicContact CE2-CD2 4.47Å; Y980-L982 HydrophobicContact CE2-CG 4.43Å; Y980-Y1013 HydrophobicContact CE2-CD1 4.07Å; Y980-Y1013 AromaticContact CE2-CE1 3.75Å; Y980-Y1013 HydrophobicContact CE2-CE1 3.75Å; Y980-Y1013 AromaticContact CZ-CE1 3.89Å; Y980-G1015 VanDerWaalsContact CD1-O 3.31Å; Y980-G1015 WeakPolarHBondContact CD1-O 3.38Å; Y980-G1015 PolarHBondContact N-O 2.99Å; Y980-G1015 PolarHBondContact O-N 2.72Å; Y980-P1022 HydrophobicContact CD1-CB 4.41Å; Y980-P1022 HydrophobicContact CD1-CG 3.94Å; Y980-P1022 HydrophobicContact CD2-CB 3.89Å; Y980-P1022 HydrophobicContact CD2-CG 4.29Å; Y980-P1022 HydrophobicContact CE1-CG 4.22Å; Y980-P1022 HydrophobicContact CE2-CB 4.04Å; Y980-P1022 HydrophobicContact CG-CB 4.08Å; Y980-P1022 HydrophobicContact CG-CG 3.98Å; Y980-H1025 PolarHBondContact OH-NE2 2.96Å; Y980-L1062 WeakPolarHBondContact CA-O 3.37Å; Y980-L1062 WeakPolarHBondContact CB-O 3.46Å |
| 981 | L | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 137.1 | 178.4 | -61.1 | 169.2 | 0 | 0 | 0 | 107.4 | L983 F1007 I1011 Y1013 V1014 L1062 A1120 | L981-L983 HydrophobicContact CB-CD1 3.74Å; L981-F1007 HydrophobicContact CD1-CZ 4.06Å; L981-I1011 HydrophobicContact CD1-CD1 4.13Å; L981-I1011 HydrophobicContact CD2-CD1 4.41Å; L981-I1011 HydrophobicContact CD2-CG2 4.08Å; L981-Y1013 WeakPolarHBondContact CA-O 3.44Å; L981-V1014 HydrophobicContact CD2-CB 4.05Å; L981-V1014 HydrophobicContact CD2-CG1 3.82Å; L981-V1014 HydrophobicContact CD2-CG2 3.67Å; L981-L1062 HydrophobicContact CB-CB 4.35Å; L981-L1062 HydrophobicContact CB-CD2 4.42Å; L981-L1062 HydrophobicContact CD1-CD2 3.98Å; L981-L1062 PolarHBondContact N-O 3.05Å; L981-L1062 PolarHBondContact O-N 3.36Å; L981-A1120 HydrophobicContact CD1-CB 3.7Å |
| 982 | L | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.5 | 166 | -54.7 | 179.1 | 0 | 0 | 0 | 109 | Y980 F1012 Y1013 I1049 V1059 I1060 | Y980-L982 HydrophobicContact CD2-CD2 4.23Å; Y980-L982 HydrophobicContact CD2-CG 4.43Å; Y980-L982 HydrophobicContact CE2-CD2 4.47Å; Y980-L982 HydrophobicContact CE2-CG 4.43Å; L982-F1012 HydrophobicContact CB-CD1 4.33Å; L982-F1012 HydrophobicContact CB-CE1 3.64Å; L982-F1012 HydrophobicContact CB-CE2 3.91Å; L982-F1012 HydrophobicContact CB-CZ 3.41Å; L982-F1012 VanDerWaalsContact CB-CZ 3.41Å; L982-F1012 HydrophobicContact CD1-CE2 4.09Å; L982-F1012 HydrophobicContact CD1-CZ 3.99Å; L982-F1012 HydrophobicContact CG-CZ 4.35Å; L982-F1012 WeakPolarHBondContact O-CD1 3.36Å; L982-F1012 PolarHBondContact O-N 3.39Å; L982-F1012 VanDerWaalsContact O-N 3.11Å; L982-Y1013 HydrophobicContact CD1-CD1 3.77Å; L982-Y1013 HydrophobicContact CD1-CG 4.48Å; L982-Y1013 HydrophobicContact CG-CD1 4Å; L982-Y1013 PolarHBondContact N-O 3.33Å; L982-I1049 HydrophobicContact CD1-CD1 4.34Å; L982-V1059 HydrophobicContact CB-CG1 4.26Å; L982-V1059 HydrophobicContact CD2-CG1 4.38Å; L982-I1060 WeakPolarHBondContact CA-O 3.24Å |
| 983 | L | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144 | -176.7 | -66 | 84.6 | 0 | 0 | 0 | 111.6 | L981 P985 T988 F1007 A1010 I1011 I1060 L1062 F1124 | L981-L983 HydrophobicContact CB-CD1 3.74Å; L983-P985 WeakPolarHBondContact O-CD 3.33Å; L983-T988 HydrophobicContact CB-CG2 4.49Å; L983-T988 HydrophobicContact CD2-CG2 4.21Å; L983-F1007 HydrophobicContact CD2-CD2 3.63Å; L983-F1007 HydrophobicContact CD2-CE2 3.59Å; L983-A1010 CarbonylContact C-O 3.58Å; L983-A1010 VanDerWaalsContact CA-O 3.27Å; L983-A1010 WeakPolarHBondContact CA-O 3.44Å; L983-A1010 HydrophobicContact CB-CB 4.27Å; L983-A1010 HydrophobicContact CD2-CB 4.15Å; L983-I1011 HydrophobicContact CD1-CG1 4.35Å; L983-I1011 HydrophobicContact CD2-CG1 4.09Å; L983-I1011 HydrophobicContact CG-CG1 3.88Å; L983-I1060 HydrophobicContact CB-CB 4.05Å; L983-I1060 HydrophobicContact CB-CD1 4.15Å; L983-I1060 HydrophobicContact CB-CG2 4.37Å; L983-I1060 PolarHBondContact N-O 3.44Å; L983-I1060 PolarHBondContact O-N 3.44Å; L983-L1062 HydrophobicContact CD1-CB 4Å; L983-L1062 HydrophobicContact CD1-CD2 4.08Å; L983-F1124 HydrophobicContact CD2-CE1 4.35Å |
| 984 | D | 94.6 | Very high | 92.1 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.064 | 19% | 0.189 | C | C | . | . | trans | -83.8 | 113.1 | 175.1 | -173.6 | -9.8 | 0 | 0 | 0 | 111 | R986 V987 T988 A1010 F1012 H1048 V1052 | D984-R986 VanDerWaalsContact CG-NE 3.33Å; D984-R986 PolarHBondContact O-N 3.47Å; D984-R986 WeakPolarHBondContact OD1-CB 3.46Å; D984-R986 VanDerWaalsContact OD1-CG 3.25Å; D984-R986 WeakPolarHBondContact OD1-CG 3.23Å; D984-R986 IonicContact OD1-CZ 3.74Å; D984-R986 PolarHBondContact OD1-N 3.46Å; D984-R986 IonicContact OD1-NE 3.61Å; D984-R986 PolarHBondContact OD1-NE 3.26Å; D984-R986 IonicContact OD1-NH2 2.87Å; D984-R986 IonicContact OD2-CZ 2.82Å; D984-R986 IonicContact OD2-NE 3.76Å; D984-R986 PolarHBondContact OD2-NE 2.85Å; D984-R986 IonicContact OD2-NH2 2.62Å; D984-R986 PolarHBondContact OD2-NH2 3.49Å; D984-V987 HydrophobicContact CB-CG2 4.18Å; D984-V987 PolarHBondContact O-N 2.79Å; D984-V987 VanDerWaalsContact O-N 3.08Å; D984-T988 PolarHBondContact O-N 2.93Å; D984-A1010 PolarHBondContact N-O 2.71Å; D984-F1012 HydrophobicContact CB-CD1 4.4Å; D984-H1048 IonicContact OD2-CE1 3.79Å; D984-H1048 IonicContact OD2-NE2 2.65Å; D984-V1052 HydrophobicContact CB-CG2 4.48Å | ||
| 985 | P | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -23.5 | 177.6 | 28.9 | -39.2 | 0 | 0 | 0 | 113.7 | L983 V987 T988 K989 V1052 Q1057 G1058 I1060 Q1131 | L983-P985 WeakPolarHBondContact O-CD 3.33Å; P985-V987 PolarHBondContact O-N 3.09Å; P985-T988 WeakPolarHBondContact CA-OG1 3.31Å; P985-T988 PolarHBondContact O-OG1 3.36Å; P985-K989 WeakPolarHBondContact O-CA 3.21Å; P985-K989 PolarHBondContact O-N 3.13Å; P985-V1052 HydrophobicContact CG-CG1 3.57Å; P985-Q1057 VanDerWaalsContact C-OE1 3.24Å; P985-Q1057 HydrophobicContact CB-CB 4.24Å; P985-Q1057 HydrophobicContact CG-CB 3.55Å; P985-G1058 WeakPolarHBondContact CG-O 3.22Å; P985-I1060 HydrophobicContact CB-CD1 4.01Å; P985-I1060 HydrophobicContact CB-CG1 4.41Å; P985-Q1131 HydrophobicContact CB-CG 4.24Å |
| 986 | R | 92.5 | Very high | 92.3 | Very high | 72 Ų | 72 | 41.3 Ų | 41.3 | 27% | 0.272 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68 | -22.8 | 178.9 | -56.7 | 172.5 | -63.8 | -173.6 | 3.8 | 111.7 | D984 K989 H1048 Q1051 Q1057 | D984-R986 VanDerWaalsContact CG-NE 3.33Å; D984-R986 PolarHBondContact O-N 3.47Å; D984-R986 WeakPolarHBondContact OD1-CB 3.46Å; D984-R986 VanDerWaalsContact OD1-CG 3.25Å; D984-R986 WeakPolarHBondContact OD1-CG 3.23Å; D984-R986 IonicContact OD1-CZ 3.74Å; D984-R986 PolarHBondContact OD1-N 3.46Å; D984-R986 IonicContact OD1-NE 3.61Å; D984-R986 PolarHBondContact OD1-NE 3.26Å; D984-R986 IonicContact OD1-NH2 2.87Å; D984-R986 IonicContact OD2-CZ 2.82Å; D984-R986 IonicContact OD2-NE 3.76Å; D984-R986 PolarHBondContact OD2-NE 2.85Å; D984-R986 IonicContact OD2-NH2 2.62Å; D984-R986 PolarHBondContact OD2-NH2 3.49Å; R986-K989 WeakPolarHBondContact O-CE 3.4Å; R986-K989 WeakPolarHBondContact O-CG 3.45Å; R986-H1048 PolarHBondContact NH2-CE1 3.03Å; R986-Q1051 PolarHBondContact NH1-O 3.49Å; R986-Q1057 VanDerWaalsContact CG-OE1 3.22Å; R986-Q1057 VanDerWaalsContact N-OE1 3.1Å |
| 987 | V | 92.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 30% | 0.303 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -95.4 | -45.8 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | D984 P985 T1006 H1009 A1010 | D984-V987 HydrophobicContact CB-CG2 4.18Å; D984-V987 PolarHBondContact O-N 2.79Å; D984-V987 VanDerWaalsContact O-N 3.08Å; P985-V987 PolarHBondContact O-N 3.09Å; V987-T1006 WeakPolarHBondContact O-CG2 3.39Å; V987-H1009 HydrophobicContact CG1-CB 3.98Å; V987-A1010 HydrophobicContact CB-CB 3.85Å; V987-A1010 HydrophobicContact CG1-CB 3.92Å |
| 988 | T | 91.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.9 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | L983 D984 P985 N990 L991 R994 A1010 I1060 F1124 E1129 | L983-T988 HydrophobicContact CB-CG2 4.49Å; L983-T988 HydrophobicContact CD2-CG2 4.21Å; D984-T988 PolarHBondContact O-N 2.93Å; P985-T988 WeakPolarHBondContact CA-OG1 3.31Å; P985-T988 PolarHBondContact O-OG1 3.36Å; T988-N990 PolarHBondContact O-N 3.06Å; T988-L991 PolarHBondContact O-N 3.24Å; T988-R994 PolarHBondContact O-NH1 3.29Å; T988-A1010 HydrophobicContact CG2-CB 3.48Å; T988-A1010 VanDerWaalsContact CG2-CB 3.48Å; T988-I1060 HydrophobicContact CG2-CD1 4.13Å; T988-F1124 HydrophobicContact CG2-CE1 3.98Å; T988-F1124 HydrophobicContact CG2-CZ 4.02Å; T988-E1129 VanDerWaalsContact CB-OE2 3.24Å; T988-E1129 WeakPolarHBondContact CB-OE2 3.33Å; T988-E1129 PolarHBondContact OG1-OE2 3.48Å |
| 989 | K | 90.8 | Very high | 92.3 | Very high | 139 Ų | 139 | 48.2 Ų | 48.2 | 60% | 0.604 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 52 | 50.4 | -177 | -53.3 | 179.6 | -177.5 | -178.4 | 0 | 112.3 | P985 R986 R994 | P985-K989 WeakPolarHBondContact O-CA 3.21Å; P985-K989 PolarHBondContact O-N 3.13Å; R986-K989 WeakPolarHBondContact O-CE 3.4Å; R986-K989 WeakPolarHBondContact O-CG 3.45Å; K989-R994 WeakPolarHBondContact O-CD 3.41Å |
| 990 | N | 90.5 | Very high | 92.1 | Very high | 71 Ų | 71 | 51.9 Ų | 51.9 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 55.1 | 60.8 | -168.9 | -158.5 | -20.3 | 0 | 0 | 0 | 112.5 | T988 F993 R994 E1129 | T988-N990 PolarHBondContact O-N 3.06Å; N990-F993 HydrophobicContact CB-CB 4.42Å; N990-F993 PolarHBondContact O-N 3.06Å; N990-F993 WeakPolarHBondContact OD1-CB 3.44Å; N990-F993 PolarHBondContact OD1-N 3.02Å; N990-R994 WeakPolarHBondContact O-CG 3.46Å; N990-R994 PolarHBondContact O-N 3.37Å; N990-R994 VanDerWaalsContact O-N 3.15Å; N990-E1129 WeakPolarHBondContact CA-OE2 3.23Å; N990-E1129 PolarHBondContact N-OE1 3.31Å; N990-E1129 PolarHBondContact N-OE2 3.35Å |
| 991 | L | 91.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.9 | -39.1 | -178.6 | -178.2 | 62.9 | 0 | 0 | 0 | 113.6 | T988 F993 R994 S995 M998 T1006 F1007 F1124 L1125 | T988-L991 PolarHBondContact O-N 3.24Å; L991-F993 PolarHBondContact O-N 3.29Å; L991-R994 CarbonylContact O-C 3.58Å; L991-R994 PolarHBondContact O-N 3.15Å; L991-S995 PolarHBondContact O-N 3.45Å; L991-M998 HydrophobicContact CD1-SD 4.2Å; L991-T1006 HydrophobicContact CD1-CG2 4.06Å; L991-T1006 HydrophobicContact CD2-CG2 4.14Å; L991-F1007 HydrophobicContact CD2-CB 4.08Å; L991-F1124 HydrophobicContact CB-CE1 4.06Å; L991-F1124 HydrophobicContact CD2-CE1 4.25Å; L991-L1125 HydrophobicContact CG-CD2 4.37Å |
| 992 | P | 91.5 | Very high | 91.8 | Very high | 12 Ų | 12 | 58.5 Ų | 58.5 | 8% | 0.078 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 177 | -27.7 | 38.8 | 0 | 0 | 0 | 113 | S995 F1124 L1125 E1129 | P992-S995 PolarHBondContact O-N 3.34Å; P992-S995 PolarHBondContact O-OG 3.1Å; P992-F1124 HydrophobicContact CG-CD1 4.35Å; P992-F1124 HydrophobicContact CG-CD2 4.49Å; P992-F1124 HydrophobicContact CG-CE1 4.11Å; P992-F1124 HydrophobicContact CG-CE2 4.23Å; P992-F1124 HydrophobicContact CG-CZ 4.04Å; P992-F1124 WeakPolarHBondContact CG-O 3.36Å; P992-L1125 HydrophobicContact CB-CD2 4.38Å; P992-L1125 HydrophobicContact CG-CD2 4.39Å; P992-E1129 HydrophobicContact CG-CB 4.32Å |
| 993 | F | 91.1 | Very high | 91.7 | Very high | 159 Ų | 159 | 58.7 Ų | 58.7 | 70% | 0.697 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.6 | -49.4 | 173.5 | -177.3 | -99.9 | 0 | 0 | 0 | 111.7 | N990 L991 S995 H996 | N990-F993 HydrophobicContact CB-CB 4.42Å; N990-F993 PolarHBondContact O-N 3.06Å; N990-F993 WeakPolarHBondContact OD1-CB 3.44Å; N990-F993 PolarHBondContact OD1-N 3.02Å; L991-F993 PolarHBondContact O-N 3.29Å; F993-S995 VanDerWaalsContact C-N 3.27Å; F993-S995 PolarHBondContact O-N 2.92Å; F993-H996 PolarHBondContact O-ND1 3.3Å |
| 994 | R | 91.4 | Very high | 91.7 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.9 | -19.2 | -178 | -68.3 | 170.7 | 60.9 | -139.6 | -2.9 | 114.7 | T988 K989 N990 L991 H996 T997 M998 | T988-R994 PolarHBondContact O-NH1 3.29Å; K989-R994 WeakPolarHBondContact O-CD 3.41Å; N990-R994 WeakPolarHBondContact O-CG 3.46Å; N990-R994 PolarHBondContact O-N 3.37Å; N990-R994 VanDerWaalsContact O-N 3.15Å; L991-R994 CarbonylContact O-C 3.58Å; L991-R994 PolarHBondContact O-N 3.15Å; R994-H996 PolarHBondContact O-N 2.98Å; R994-H996 VanDerWaalsContact O-N 3.16Å; R994-T997 PolarHBondContact O-N 3.13Å; R994-T997 PolarHBondContact O-OG1 2.99Å; R994-M998 HydrophobicContact CB-SD 4.12Å; R994-M998 VanDerWaalsContact CZ-SD 3.58Å; R994-M998 PolarHBondContact NH2-SD 3Å |
| 995 | S | 90.4 | Very high | 91.6 | Very high | 28 Ų | 28 | 60.4 Ų | 60.4 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -55.1 | -35.1 | -173.6 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | L991 P992 F993 T997 M998 | L991-S995 PolarHBondContact O-N 3.45Å; P992-S995 PolarHBondContact O-N 3.34Å; P992-S995 PolarHBondContact O-OG 3.1Å; F993-S995 VanDerWaalsContact C-N 3.27Å; F993-S995 PolarHBondContact O-N 2.92Å; S995-T997 PolarHBondContact O-N 3.01Å; S995-T997 VanDerWaalsContact O-N 3.11Å; S995-M998 PolarHBondContact O-N 3.07Å |
| 996 | H | 88.5 | Confident | 91.6 | Very high | 165 Ų | 165 | 61.6 Ų | 61.6 | 76% | 0.764 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -61.4 | -16 | 174.5 | -51.3 | 92.1 | 0 | 0 | 0 | 114.8 | F993 R994 | F993-H996 PolarHBondContact O-ND1 3.3Å; R994-H996 PolarHBondContact O-N 2.98Å; R994-H996 VanDerWaalsContact O-N 3.16Å |
| 997 | T | 91.4 | Very high | 91.7 | Very high | 119 Ų | 119 | 58.1 Ų | 58.1 | 73% | 0.73 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -115.6 | 6.9 | -176.7 | 62 | 0 | 0 | 0 | 0 | 113.5 | R994 S995 | R994-T997 PolarHBondContact O-N 3.13Å; R994-T997 PolarHBondContact O-OG1 2.99Å; S995-T997 PolarHBondContact O-N 3.01Å; S995-T997 VanDerWaalsContact O-N 3.11Å |
| 998 | M | 91.5 | Very high | 91.8 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 19% | 0.192 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -131.1 | 154.7 | -175 | -67.7 | -179.7 | 63.7 | 0 | 0 | 110.8 | L991 R994 S995 E1002 | L991-M998 HydrophobicContact CD1-SD 4.2Å; R994-M998 HydrophobicContact CB-SD 4.12Å; R994-M998 VanDerWaalsContact CZ-SD 3.58Å; R994-M998 PolarHBondContact NH2-SD 3Å; S995-M998 PolarHBondContact O-N 3.07Å; M998-E1002 HydrophobicContact CE-CB 3.6Å |
| 999 | T | 92.4 | Very high | 91.8 | Very high | 68 Ų | 68 | 59 Ų | 59 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | trans | -70.2 | 151.9 | 173.4 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | Q1001 E1002 C1003 | T999-Q1001 PolarHBondContact O-N 3.11Å; T999-Q1001 VanDerWaalsContact O-N 3.1Å; T999-E1002 VanDerWaalsContact CB-OE2 3.31Å; T999-E1002 WeakPolarHBondContact CB-OE2 3.34Å; T999-E1002 WeakPolarHBondContact CG2-OE2 3.46Å; T999-E1002 PolarHBondContact N-OE2 2.95Å; T999-E1002 PolarHBondContact O-N 2.74Å; T999-E1002 VanDerWaalsContact O-N 3.07Å; T999-E1002 VanDerWaalsContact OG1-CD 3.31Å; T999-E1002 VanDerWaalsContact OG1-CG 3.25Å; T999-E1002 WeakPolarHBondContact OG1-CG 3.4Å; T999-E1002 PolarHBondContact OG1-N 3.2Å; T999-E1002 PolarHBondContact OG1-OE2 3.11Å; T999-C1003 PolarHBondContact O-N 2.71Å; T999-C1003 PolarHBondContact O-SG 3.47Å; T999-C1003 VanDerWaalsContact O-SG 3.4Å | ||
| 1000 | P | 89.7 | Confident | 92 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.8 | -29.5 | 173 | -28.4 | 36.7 | 0 | 0 | 0 | 113.7 | F944 F1004 | F944-P1000 HydrophobicContact CE1-CB 3.68Å; F944-P1000 HydrophobicContact CE2-CB 4.47Å; F944-P1000 WeakPolarHBondContact CE2-O 3.37Å; F944-P1000 HydrophobicContact CZ-CB 3.56Å; P1000-F1004 WeakPolarHBondContact O-CB 3.11Å; P1000-F1004 PolarHBondContact O-N 2.83Å |
| 1001 | Q | 91.6 | Very high | 92.2 | Very high | 57 Ų | 57 | 49.3 Ų | 49.3 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.7 | -48.9 | 174.6 | -177.5 | 174 | 4.3 | 0 | 0 | 112.2 | L941 K942 F944 T999 C1003 F1004 Q1005 | L941-Q1001 PolarHBondContact O-NE2 3.04Å; K942-Q1001 VanDerWaalsContact C-NE2 3.3Å; K942-Q1001 PolarHBondContact O-NE2 3.19Å; F944-Q1001 HydrophobicContact CB-CB 3.99Å; F944-Q1001 HydrophobicContact CB-CG 3.99Å; F944-Q1001 HydrophobicContact CD2-CB 3.8Å; F944-Q1001 HydrophobicContact CD2-CG 4.1Å; F944-Q1001 HydrophobicContact CE2-CB 4.44Å; F944-Q1001 HydrophobicContact CG-CB 3.85Å; F944-Q1001 HydrophobicContact CG-CG 4.25Å; T999-Q1001 PolarHBondContact O-N 3.11Å; T999-Q1001 VanDerWaalsContact O-N 3.1Å; Q1001-C1003 VanDerWaalsContact C-N 3.31Å; Q1001-C1003 PolarHBondContact O-N 3.23Å; Q1001-F1004 PolarHBondContact O-N 3.33Å; Q1001-Q1005 WeakPolarHBondContact O-CB 3.11Å; Q1001-Q1005 WeakPolarHBondContact O-CG 3.33Å; Q1001-Q1005 PolarHBondContact O-N 3.25Å |
| 1002 | E | 91.1 | Very high | 92.3 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67 | -33.6 | 177.1 | -66.2 | 161.5 | 118.7 | 0 | 0 | 111.7 | M998 T999 T1006 | M998-E1002 HydrophobicContact CE-CB 3.6Å; T999-E1002 VanDerWaalsContact CB-OE2 3.31Å; T999-E1002 WeakPolarHBondContact CB-OE2 3.34Å; T999-E1002 WeakPolarHBondContact CG2-OE2 3.46Å; T999-E1002 PolarHBondContact N-OE2 2.95Å; T999-E1002 PolarHBondContact O-N 2.74Å; T999-E1002 VanDerWaalsContact O-N 3.07Å; T999-E1002 VanDerWaalsContact OG1-CD 3.31Å; T999-E1002 VanDerWaalsContact OG1-CG 3.25Å; T999-E1002 WeakPolarHBondContact OG1-CG 3.4Å; T999-E1002 PolarHBondContact OG1-N 3.2Å; T999-E1002 PolarHBondContact OG1-OE2 3.11Å; E1002-T1006 VanDerWaalsContact O-CB 3.3Å; E1002-T1006 WeakPolarHBondContact O-CB 3.38Å; E1002-T1006 PolarHBondContact O-N 3.42Å; E1002-T1006 PolarHBondContact O-OG1 3.35Å |
| 1003 | C | 93.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 170.4 | -68.2 | 0 | 0 | 0 | 0 | 111.2 | T999 Q1001 T1006 F1007 M1121 | T999-C1003 PolarHBondContact O-N 2.71Å; T999-C1003 PolarHBondContact O-SG 3.47Å; T999-C1003 VanDerWaalsContact O-SG 3.4Å; Q1001-C1003 VanDerWaalsContact C-N 3.31Å; Q1001-C1003 PolarHBondContact O-N 3.23Å; C1003-T1006 PolarHBondContact O-N 3.17Å; C1003-F1007 WeakPolarHBondContact O-CB 3.32Å; C1003-F1007 PolarHBondContact O-N 3.39Å; C1003-M1121 HydrophobicContact CB-SD 4.12Å |
| 1004 | F | 94 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 179 | -174.1 | -118.6 | 0 | 0 | 0 | 112.4 | L937 V940 L941 F944 P1000 Q1001 F1007 I1008 I1114 L1117 Y1118 M1121 | L937-F1004 HydrophobicContact CD1-CE1 4.13Å; L937-F1004 HydrophobicContact CD1-CZ 4.28Å; V940-F1004 HydrophobicContact CG1-CE1 4.1Å; L941-F1004 HydrophobicContact CD2-CD1 3.92Å; L941-F1004 HydrophobicContact CD2-CE1 4.04Å; F944-F1004 HydrophobicContact CE2-CB 3.86Å; F944-F1004 HydrophobicContact CE2-CD1 4.4Å; F944-F1004 HydrophobicContact CE2-CG 4.35Å; P1000-F1004 WeakPolarHBondContact O-CB 3.11Å; P1000-F1004 PolarHBondContact O-N 2.83Å; Q1001-F1004 PolarHBondContact O-N 3.33Å; F1004-F1007 PolarHBondContact O-N 3.15Å; F1004-I1008 HydrophobicContact CD1-CG1 4.45Å; F1004-I1008 HydrophobicContact CD2-CG1 4.14Å; F1004-I1008 HydrophobicContact CE1-CG1 4.13Å; F1004-I1008 HydrophobicContact CE2-CD1 3.9Å; F1004-I1008 HydrophobicContact CE2-CG1 3.79Å; F1004-I1008 HydrophobicContact CG-CG1 4.46Å; F1004-I1008 HydrophobicContact CZ-CD1 3.89Å; F1004-I1008 HydrophobicContact CZ-CG1 3.79Å; F1004-I1008 WeakPolarHBondContact O-CB 3.27Å; F1004-I1008 VanDerWaalsContact O-CG1 3.24Å; F1004-I1008 WeakPolarHBondContact O-CG1 3.46Å; F1004-I1008 PolarHBondContact O-N 3Å; F1004-I1114 HydrophobicContact CZ-CG2 4.35Å; F1004-L1117 HydrophobicContact CE2-CB 4.32Å; F1004-L1117 HydrophobicContact CZ-CB 4.49Å; F1004-Y1118 HydrophobicContact CD2-CD2 4.1Å; F1004-Y1118 HydrophobicContact CE2-CD2 4.43Å; F1004-M1121 WeakPolarHBondContact CA-SD 3.23Å; F1004-M1121 HydrophobicContact CB-SD 3.74Å; F1004-M1121 HydrophobicContact CD2-CB 4.42Å; F1004-M1121 HydrophobicContact CD2-SD 3.98Å; F1004-M1121 HydrophobicContact CG-SD 4.38Å; F1004-M1121 PolarHBondContact N-SD 3.37Å |
| 1005 | Q | 93 | Very high | 92.6 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 22% | 0.22 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.8 | -51.8 | 170.4 | -73.5 | 178.1 | 12.2 | 0 | 0 | 111.1 | L941 Q1001 F1007 I1008 H1009 | L941-Q1005 HydrophobicContact CB-CG 4.43Å; L941-Q1005 HydrophobicContact CD2-CB 4.44Å; L941-Q1005 HydrophobicContact CD2-CG 3.85Å; L941-Q1005 PolarHBondContact O-NE2 2.86Å; Q1001-Q1005 WeakPolarHBondContact O-CB 3.11Å; Q1001-Q1005 WeakPolarHBondContact O-CG 3.33Å; Q1001-Q1005 PolarHBondContact O-N 3.25Å; Q1005-F1007 VanDerWaalsContact C-N 3.32Å; Q1005-F1007 PolarHBondContact O-N 3.08Å; Q1005-I1008 PolarHBondContact O-N 3.49Å; Q1005-H1009 PolarHBondContact O-N 2.92Å; Q1005-H1009 PolarHBondContact O-ND1 3.29Å |
| 1006 | T | 93.4 | Very high | 92.6 | Very high | 25 Ų | 25 | 38 Ų | 38 | 15% | 0.153 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | -178 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | V987 L991 E1002 C1003 A1010 | V987-T1006 WeakPolarHBondContact O-CG2 3.39Å; L991-T1006 HydrophobicContact CD1-CG2 4.06Å; L991-T1006 HydrophobicContact CD2-CG2 4.14Å; E1002-T1006 VanDerWaalsContact O-CB 3.3Å; E1002-T1006 WeakPolarHBondContact O-CB 3.38Å; E1002-T1006 PolarHBondContact O-N 3.42Å; E1002-T1006 PolarHBondContact O-OG1 3.35Å; C1003-T1006 PolarHBondContact O-N 3.17Å; T1006-A1010 WeakPolarHBondContact O-CB 3.41Å; T1006-A1010 PolarHBondContact O-N 3.39Å; T1006-A1010 VanDerWaalsContact O-N 3.15Å |
| 1007 | F | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -49 | 175.3 | -179.8 | -105.2 | 0 | 0 | 0 | 112.2 | L981 L983 L991 C1003 F1004 Q1005 H1009 A1010 I1011 L1062 L1117 A1120 M1121 F1124 | L981-F1007 HydrophobicContact CD1-CZ 4.06Å; L983-F1007 HydrophobicContact CD2-CD2 3.63Å; L983-F1007 HydrophobicContact CD2-CE2 3.59Å; L991-F1007 HydrophobicContact CD2-CB 4.08Å; C1003-F1007 WeakPolarHBondContact O-CB 3.32Å; C1003-F1007 PolarHBondContact O-N 3.39Å; F1004-F1007 PolarHBondContact O-N 3.15Å; Q1005-F1007 VanDerWaalsContact C-N 3.32Å; Q1005-F1007 PolarHBondContact O-N 3.08Å; F1007-H1009 PolarHBondContact O-N 3.05Å; F1007-A1010 PolarHBondContact O-N 2.86Å; F1007-A1010 VanDerWaalsContact O-N 3.13Å; F1007-I1011 HydrophobicContact CD1-CD1 4.03Å; F1007-I1011 HydrophobicContact CE1-CD1 3.65Å; F1007-I1011 HydrophobicContact CZ-CD1 4.01Å; F1007-I1011 PolarHBondContact O-N 3.36Å; F1007-L1062 HydrophobicContact CE2-CD2 3.84Å; F1007-L1062 HydrophobicContact CZ-CD2 3.94Å; F1007-L1117 WeakPolarHBondContact CE1-O 3.26Å; F1007-A1120 HydrophobicContact CE1-CB 4.24Å; F1007-A1120 HydrophobicContact CZ-CB 3.97Å; F1007-M1121 HydrophobicContact CB-CB 4.47Å; F1007-M1121 HydrophobicContact CB-CG 3.95Å; F1007-M1121 HydrophobicContact CD1-CB 3.59Å; F1007-M1121 HydrophobicContact CD1-CG 4.04Å; F1007-M1121 HydrophobicContact CD2-CB 4.27Å; F1007-M1121 HydrophobicContact CD2-CG 4.19Å; F1007-M1121 HydrophobicContact CE1-CB 3.74Å; F1007-M1121 HydrophobicContact CE2-CB 4.4Å; F1007-M1121 HydrophobicContact CG-CB 3.87Å; F1007-M1121 HydrophobicContact CG-CG 3.81Å; F1007-M1121 HydrophobicContact CZ-CB 4.16Å; F1007-F1124 HydrophobicContact CD2-CB 4.33Å; F1007-F1124 AromaticContact CD2-CD1 3.56Å; F1007-F1124 HydrophobicContact CD2-CD1 3.56Å; F1007-F1124 HydrophobicContact CD2-CE1 4.21Å; F1007-F1124 HydrophobicContact CD2-CG 4.23Å; F1007-F1124 HydrophobicContact CE2-CB 3.74Å; F1007-F1124 AromaticContact CE2-CD1 3.75Å; F1007-F1124 HydrophobicContact CE2-CD1 3.75Å; F1007-F1124 AromaticContact CE2-CG 3.94Å; F1007-F1124 HydrophobicContact CE2-CG 3.94Å |
| 1008 | I | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -35.5 | 180 | -70.1 | -68.3 | 0 | 0 | 0 | 112.6 | Y933 L937 L941 F1004 Q1005 A1010 L1117 | Y933-I1008 HydrophobicContact CE1-CG2 3.91Å; Y933-I1008 HydrophobicContact CE2-CG2 4.5Å; L937-I1008 HydrophobicContact CD1-CD1 4.47Å; L937-I1008 HydrophobicContact CD2-CG2 4.07Å; L941-I1008 HydrophobicContact CD1-CG2 4.31Å; L941-I1008 HydrophobicContact CD2-CB 4.31Å; L941-I1008 HydrophobicContact CD2-CG1 4.3Å; L941-I1008 HydrophobicContact CD2-CG2 4.36Å; F1004-I1008 HydrophobicContact CD1-CG1 4.45Å; F1004-I1008 HydrophobicContact CD2-CG1 4.14Å; F1004-I1008 HydrophobicContact CE1-CG1 4.13Å; F1004-I1008 HydrophobicContact CE2-CD1 3.9Å; F1004-I1008 HydrophobicContact CE2-CG1 3.79Å; F1004-I1008 HydrophobicContact CG-CG1 4.46Å; F1004-I1008 HydrophobicContact CZ-CD1 3.89Å; F1004-I1008 HydrophobicContact CZ-CG1 3.79Å; F1004-I1008 WeakPolarHBondContact O-CB 3.27Å; F1004-I1008 VanDerWaalsContact O-CG1 3.24Å; F1004-I1008 WeakPolarHBondContact O-CG1 3.46Å; F1004-I1008 PolarHBondContact O-N 3Å; Q1005-I1008 PolarHBondContact O-N 3.49Å; I1008-A1010 VanDerWaalsContact C-N 3.31Å; I1008-L1117 HydrophobicContact CD1-CB 3.99Å; I1008-L1117 HydrophobicContact CD1-CD1 3.99Å; I1008-L1117 HydrophobicContact CD1-CD2 4.3Å; I1008-L1117 HydrophobicContact CD1-CG 4.31Å |
| 1009 | H | 92.1 | Very high | 91.4 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 32% | 0.315 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -74.8 | -19.1 | 175.3 | -69.4 | 88.5 | 0 | 0 | 0 | 113.3 | L931 Y933 V987 Q1005 F1007 | L931-H1009 VanDerWaalsContact CD1-NE2 3.31Å; L931-H1009 WeakPolarHBondContact CD1-NE2 3.5Å; Y933-H1009 AromaticContact CE2-NE2 3.84Å; Y933-H1009 PolarHBondContact OH-CD2 2.98Å; Y933-H1009 VanDerWaalsContact OH-CD2 3.29Å; V987-H1009 HydrophobicContact CG1-CB 3.98Å; Q1005-H1009 PolarHBondContact O-N 2.92Å; Q1005-H1009 PolarHBondContact O-ND1 3.29Å; F1007-H1009 PolarHBondContact O-N 3.05Å |
| 1010 | A | 94.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -85.9 | -24.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L983 D984 V987 T988 T1006 F1007 I1008 F1012 | L983-A1010 CarbonylContact C-O 3.58Å; L983-A1010 VanDerWaalsContact CA-O 3.27Å; L983-A1010 WeakPolarHBondContact CA-O 3.44Å; L983-A1010 HydrophobicContact CB-CB 4.27Å; L983-A1010 HydrophobicContact CD2-CB 4.15Å; D984-A1010 PolarHBondContact N-O 2.71Å; V987-A1010 HydrophobicContact CB-CB 3.85Å; V987-A1010 HydrophobicContact CG1-CB 3.92Å; T988-A1010 HydrophobicContact CG2-CB 3.48Å; T988-A1010 VanDerWaalsContact CG2-CB 3.48Å; T1006-A1010 WeakPolarHBondContact O-CB 3.41Å; T1006-A1010 PolarHBondContact O-N 3.39Å; T1006-A1010 VanDerWaalsContact O-N 3.15Å; F1007-A1010 PolarHBondContact O-N 2.86Å; F1007-A1010 VanDerWaalsContact O-N 3.13Å; I1008-A1010 VanDerWaalsContact C-N 3.31Å; A1010-F1012 PolarHBondContact O-N 3.5Å |
| 1011 | I | 95 | Very high | 90 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 112.1 | 178.7 | -63.4 | 164.3 | 0 | 0 | 0 | 109.7 | L981 L983 F1007 V1014 I1084 L1089 L1117 | L981-I1011 HydrophobicContact CD1-CD1 4.13Å; L981-I1011 HydrophobicContact CD2-CD1 4.41Å; L981-I1011 HydrophobicContact CD2-CG2 4.08Å; L983-I1011 HydrophobicContact CD1-CG1 4.35Å; L983-I1011 HydrophobicContact CD2-CG1 4.09Å; L983-I1011 HydrophobicContact CG-CG1 3.88Å; F1007-I1011 HydrophobicContact CD1-CD1 4.03Å; F1007-I1011 HydrophobicContact CE1-CD1 3.65Å; F1007-I1011 HydrophobicContact CZ-CD1 4.01Å; F1007-I1011 PolarHBondContact O-N 3.36Å; I1011-V1014 HydrophobicContact CG2-CG2 3.98Å; I1011-I1084 HydrophobicContact CB-CD1 4.48Å; I1011-I1084 HydrophobicContact CD1-CD1 4.34Å; I1011-I1084 HydrophobicContact CG2-CD1 4.11Å; I1011-L1089 HydrophobicContact CG2-CD2 3.93Å; I1011-L1117 HydrophobicContact CD1-CD2 3.99Å |
| 1012 | F | 93.8 | Very high | 89.3 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 5% | 0.053 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -13.1 | 173.1 | 70.5 | -93.7 | 0 | 0 | 0 | 113.2 | L982 D984 A1010 H1048 I1049 V1059 T1090 | L982-F1012 HydrophobicContact CB-CD1 4.33Å; L982-F1012 HydrophobicContact CB-CE1 3.64Å; L982-F1012 HydrophobicContact CB-CE2 3.91Å; L982-F1012 HydrophobicContact CB-CZ 3.41Å; L982-F1012 VanDerWaalsContact CB-CZ 3.41Å; L982-F1012 HydrophobicContact CD1-CE2 4.09Å; L982-F1012 HydrophobicContact CD1-CZ 3.99Å; L982-F1012 HydrophobicContact CG-CZ 4.35Å; L982-F1012 WeakPolarHBondContact O-CD1 3.36Å; L982-F1012 PolarHBondContact O-N 3.39Å; L982-F1012 VanDerWaalsContact O-N 3.11Å; D984-F1012 HydrophobicContact CB-CD1 4.4Å; A1010-F1012 PolarHBondContact O-N 3.5Å; F1012-H1048 AromaticContact CD1-CD2 3.54Å; F1012-H1048 AromaticContact CD1-NE2 3.83Å; F1012-H1048 HydrophobicContact CD2-CB 4.34Å; F1012-H1048 AromaticContact CD2-CD2 3.54Å; F1012-H1048 AromaticContact CE1-CD2 3.89Å; F1012-H1048 HydrophobicContact CE2-CB 4.49Å; F1012-H1048 AromaticContact CE2-CD2 3.9Å; F1012-H1048 AromaticContact CG-CD2 3.34Å; F1012-H1048 WeakPolarHBondContact CG-CD2 2.98Å; F1012-H1048 AromaticContact CG-NE2 3.82Å; F1012-I1049 HydrophobicContact CE2-CG1 4.12Å; F1012-I1049 HydrophobicContact CZ-CG1 3.98Å; F1012-V1059 HydrophobicContact CE1-CG1 4.06Å; F1012-V1059 HydrophobicContact CZ-CG1 3.87Å; F1012-T1090 HydrophobicContact CD2-CG2 4.14Å; F1012-T1090 WeakPolarHBondContact O-CB 3.15Å; F1012-T1090 PolarHBondContact O-N 2.82Å; F1012-T1090 PolarHBondContact O-OG1 2.87Å |
| 1013 | Y | 93.6 | Very high | 89 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 141.9 | 179.3 | -175.3 | -125.8 | 0 | 0 | 0 | 113.1 | Y980 L981 L982 H1025 K1045 N1091 | Y980-Y1013 HydrophobicContact CE2-CD1 4.07Å; Y980-Y1013 AromaticContact CE2-CE1 3.75Å; Y980-Y1013 HydrophobicContact CE2-CE1 3.75Å; Y980-Y1013 AromaticContact CZ-CE1 3.89Å; L981-Y1013 WeakPolarHBondContact CA-O 3.44Å; L982-Y1013 HydrophobicContact CD1-CD1 3.77Å; L982-Y1013 HydrophobicContact CD1-CG 4.48Å; L982-Y1013 HydrophobicContact CG-CD1 4Å; L982-Y1013 PolarHBondContact N-O 3.33Å; Y1013-H1025 AromaticContact CE1-CD2 3.78Å; Y1013-H1025 AromaticContact CE1-NE2 3.35Å; Y1013-H1025 WeakPolarHBondContact CE1-NE2 3.49Å; Y1013-H1025 AromaticContact CZ-NE2 3.53Å; Y1013-H1025 PolarHBondContact OH-NE2 3.48Å; Y1013-K1045 HydrophobicContact CD2-CD 4.09Å; Y1013-K1045 HydrophobicContact CD2-CG 4.47Å; Y1013-K1045 HydrophobicContact CE2-CD 3.96Å; Y1013-K1045 VanDerWaalsContact CZ-NZ 3.26Å; Y1013-K1045 PolarHBondContact OH-NZ 3.2Å; Y1013-K1045 VanDerWaalsContact OH-NZ 3.08Å; Y1013-N1091 WeakPolarHBondContact CD2-OD1 3.49Å; Y1013-N1091 WeakPolarHBondContact CE2-OD1 3.31Å |
| 1014 | V | 93.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.7 | 174.4 | -172.3 | 0 | 0 | 0 | 0 | 109.1 | L981 I1011 E1077 M1080 V1081 I1084 L1089 N1091 | L981-V1014 HydrophobicContact CD2-CB 4.05Å; L981-V1014 HydrophobicContact CD2-CG1 3.82Å; L981-V1014 HydrophobicContact CD2-CG2 3.67Å; I1011-V1014 HydrophobicContact CG2-CG2 3.98Å; V1014-E1077 HydrophobicContact CG1-CG 4.31Å; V1014-M1080 HydrophobicContact CG1-CB 4.09Å; V1014-M1080 HydrophobicContact CG1-CE 3.91Å; V1014-V1081 HydrophobicContact CB-CG2 3.85Å; V1014-V1081 HydrophobicContact CG1-CG2 4.11Å; V1014-V1081 HydrophobicContact CG2-CG2 4.31Å; V1014-I1084 HydrophobicContact CG2-CD1 4.31Å; V1014-L1089 HydrophobicContact CG2-CD1 3.78Å; V1014-L1089 HydrophobicContact CG2-CD2 3.97Å; V1014-N1091 PolarHBondContact N-OD1 2.86Å; V1014-N1091 PolarHBondContact O-ND2 3.01Å; V1014-N1091 PolarHBondContact O-OD1 3.3Å |
| 1015 | G | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 164.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | N979 Y980 | N979-G1015 CarbonylContact C-O 3.4Å; N979-G1015 WeakPolarHBondContact CA-O 3.49Å; Y980-G1015 VanDerWaalsContact CD1-O 3.31Å; Y980-G1015 WeakPolarHBondContact CD1-O 3.38Å; Y980-G1015 PolarHBondContact N-O 2.99Å; Y980-G1015 PolarHBondContact O-N 2.72Å |
| 1016 | K | 90.6 | Very high | 88 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 126.4 | 169.4 | 70.1 | 99.5 | -179.7 | -164.7 | 0 | 112.6 | E971 F978 A1073 Y1074 E1077 | E971-K1016 IonicContact OE1-NZ 2.65Å; E971-K1016 PolarHBondContact OE1-NZ 3.39Å; E971-K1016 IonicContact OE2-NZ 2.89Å; E971-K1016 PolarHBondContact OE2-NZ 3.3Å; F978-K1016 CarbonylContact O-C 3.56Å; F978-K1016 WeakPolarHBondContact O-CA 3.02Å; K1016-A1073 HydrophobicContact CB-CB 4.05Å; K1016-Y1074 HydrophobicContact CD-CE1 4.33Å; K1016-Y1074 HydrophobicContact CD-CE2 4.45Å; K1016-Y1074 VanDerWaalsContact CE-OH 3.24Å; K1016-Y1074 WeakPolarHBondContact CE-OH 3.45Å; K1016-Y1074 HydrophobicContact CG-CD1 4.12Å; K1016-Y1074 HydrophobicContact CG-CE1 4.03Å; K1016-Y1074 PolarHBondContact NZ-OH 3.08Å; K1016-E1077 WeakPolarHBondContact CB-OE2 3.46Å; K1016-E1077 WeakPolarHBondContact CG-OE2 3.38Å; K1016-E1077 PolarHBondContact N-OE2 3.32Å |
| 1017 | G | 85.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 150.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | S977 F978 | S977-G1017 WeakPolarHBondContact CA-O 3.27Å; F978-G1017 PolarHBondContact N-O 3.49Å; F978-G1017 VanDerWaalsContact N-O 3.13Å; F978-G1017 PolarHBondContact O-N 2.9Å |
| 1018 | K | 82.8 | Confident | 87.5 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 24% | 0.239 | 20% | 0.196 | C | C | . | . | trans | -150.8 | 126.9 | 166.8 | -80.9 | -172 | 166.2 | 175.2 | 0 | 107 | E971 S977 S1020 R1021 | E971-K1018 WeakPolarHBondContact OE2-CE 3.36Å; E971-K1018 IonicContact OE2-NZ 3.26Å; E971-K1018 PolarHBondContact OE2-NZ 3.38Å; S977-K1018 WeakPolarHBondContact OG-CE 3.41Å; K1018-S1020 PolarHBondContact O-N 3.39Å; K1018-R1021 WeakPolarHBondContact O-CB 3.26Å; K1018-R1021 PolarHBondContact O-N 2.96Å | ||
| 1019 | R | 78.2 | Confident | 87.3 | Confident | 235 Ų | 235 | 43.4 Ų | 43.4 | 89% | 0.887 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | -135.4 | -175.4 | -59.6 | 179.1 | 175.8 | 166.5 | -4.2 | 111.2 | R1021 P1022 | R1019-R1021 PolarHBondContact O-N 2.9Å; R1019-R1021 VanDerWaalsContact O-N 3.09Å; R1019-P1022 WeakPolarHBondContact O-CD 3.49Å |
| 1020 | S | 74.9 | Confident | 87.1 | Confident | 79 Ų | 79 | 40.3 Ų | 40.3 | 55% | 0.552 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 1.2 | -178 | 50.6 | 0 | 0 | 0 | 0 | 116.3 | K1018 P1022 Y1023 S1024 | K1018-S1020 PolarHBondContact O-N 3.39Å; S1020-P1022 VanDerWaalsContact O-N 3.13Å; S1020-Y1023 WeakPolarHBondContact O-CB 3.26Å; S1020-Y1023 PolarHBondContact O-N 3.2Å; S1020-S1024 PolarHBondContact O-N 2.86Å |
| 1021 | R | 77.2 | Confident | 86.7 | Confident | 132 Ų | 132 | 42.5 Ų | 42.5 | 50% | 0.498 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -52.5 | -33.3 | -173.6 | -165.3 | 174.4 | -171.7 | 96.7 | -1 | 116.5 | K1018 R1019 Y1023 S1024 | K1018-R1021 WeakPolarHBondContact O-CB 3.26Å; K1018-R1021 PolarHBondContact O-N 2.96Å; R1019-R1021 PolarHBondContact O-N 2.9Å; R1019-R1021 VanDerWaalsContact O-N 3.09Å; R1021-Y1023 VanDerWaalsContact C-N 3.31Å; R1021-Y1023 PolarHBondContact O-N 3.49Å; R1021-S1024 VanDerWaalsContact O-CB 3.23Å; R1021-S1024 WeakPolarHBondContact O-CB 3.21Å; R1021-S1024 PolarHBondContact O-N 3.37Å |
| 1022 | P | 78.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -60.6 | -38.1 | 173.5 | -23.8 | 34.9 | 0 | 0 | 0 | 113.3 | F978 Y980 R1019 S1020 S1024 H1063 | F978-P1022 HydrophobicContact CE2-CG 3.55Å; F978-P1022 HydrophobicContact CZ-CG 3.55Å; Y980-P1022 HydrophobicContact CD1-CB 4.41Å; Y980-P1022 HydrophobicContact CD1-CG 3.94Å; Y980-P1022 HydrophobicContact CD2-CB 3.89Å; Y980-P1022 HydrophobicContact CD2-CG 4.29Å; Y980-P1022 HydrophobicContact CE1-CG 4.22Å; Y980-P1022 HydrophobicContact CE2-CB 4.04Å; Y980-P1022 HydrophobicContact CG-CB 4.08Å; Y980-P1022 HydrophobicContact CG-CG 3.98Å; R1019-P1022 WeakPolarHBondContact O-CD 3.49Å; S1020-P1022 VanDerWaalsContact O-N 3.13Å; P1022-S1024 VanDerWaalsContact C-N 3.28Å; P1022-S1024 PolarHBondContact O-N 3.02Å; P1022-H1063 WeakPolarHBondContact CG-NE2 3.18Å |
| 1023 | Y | 84.9 | Confident | 85.9 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 28% | 0.275 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -75.4 | -14.1 | 179.1 | -56 | -83.9 | 0 | 0 | 0 | 113 | S1020 R1021 H1025 L1026 Y1027 L1132 | S1020-Y1023 WeakPolarHBondContact O-CB 3.26Å; S1020-Y1023 PolarHBondContact O-N 3.2Å; R1021-Y1023 VanDerWaalsContact C-N 3.31Å; R1021-Y1023 PolarHBondContact O-N 3.49Å; Y1023-H1025 VanDerWaalsContact C-N 3.27Å; Y1023-H1025 PolarHBondContact O-N 2.76Å; Y1023-L1026 HydrophobicContact CD1-CD1 4.04Å; Y1023-L1026 CarbonylContact O-C 3.54Å; Y1023-L1026 WeakPolarHBondContact O-CA 3.4Å; Y1023-L1026 WeakPolarHBondContact O-CB 3.37Å; Y1023-L1026 PolarHBondContact O-N 3.25Å; Y1023-Y1027 VanDerWaalsContact O-CD2 3.22Å; Y1023-Y1027 WeakPolarHBondContact O-CD2 3.47Å; Y1023-Y1027 PolarHBondContact O-N 3.48Å; Y1023-L1132 HydrophobicContact CD1-CD1 4.31Å; Y1023-L1132 HydrophobicContact CE1-CD1 3.78Å |
| 1024 | S | 85.9 | Confident | 85.5 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 43% | 0.427 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.4 | -39.6 | -179.8 | -168.5 | 0 | 0 | 0 | 0 | 113.3 | S1020 R1021 P1022 L1026 E1028 | S1020-S1024 PolarHBondContact O-N 2.86Å; R1021-S1024 VanDerWaalsContact O-CB 3.23Å; R1021-S1024 WeakPolarHBondContact O-CB 3.21Å; R1021-S1024 PolarHBondContact O-N 3.37Å; P1022-S1024 VanDerWaalsContact C-N 3.28Å; P1022-S1024 PolarHBondContact O-N 3.02Å; S1024-L1026 VanDerWaalsContact C-N 3.33Å; S1024-E1028 PolarHBondContact O-N 2.82Å; S1024-E1028 VanDerWaalsContact O-N 3.16Å |
| 1025 | H | 85.6 | Confident | 84.8 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 19% | 0.185 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -77.9 | -20.9 | 177.6 | -57.5 | -53.5 | 0 | 0 | 0 | 112.5 | Y980 Y1013 Y1023 A1029 I1049 | Y980-H1025 PolarHBondContact OH-NE2 2.96Å; Y1013-H1025 AromaticContact CE1-CD2 3.78Å; Y1013-H1025 AromaticContact CE1-NE2 3.35Å; Y1013-H1025 WeakPolarHBondContact CE1-NE2 3.49Å; Y1013-H1025 AromaticContact CZ-NE2 3.53Å; Y1013-H1025 PolarHBondContact OH-NE2 3.48Å; Y1023-H1025 VanDerWaalsContact C-N 3.27Å; Y1023-H1025 PolarHBondContact O-N 2.76Å; H1025-A1029 WeakPolarHBondContact O-CB 3.4Å; H1025-A1029 PolarHBondContact O-N 2.99Å; H1025-I1049 HydrophobicContact CB-CD1 3.88Å |
| 1026 | L | 87.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -81.3 | -39.5 | 175.6 | -58 | 176.3 | 0 | 0 | 0 | 110.6 | Y1023 S1024 A1029 L1030 I1049 W1053 V1059 L1132 I1137 | Y1023-L1026 HydrophobicContact CD1-CD1 4.04Å; Y1023-L1026 CarbonylContact O-C 3.54Å; Y1023-L1026 WeakPolarHBondContact O-CA 3.4Å; Y1023-L1026 WeakPolarHBondContact O-CB 3.37Å; Y1023-L1026 PolarHBondContact O-N 3.25Å; S1024-L1026 VanDerWaalsContact C-N 3.33Å; L1026-A1029 PolarHBondContact O-N 3.08Å; L1026-L1030 WeakPolarHBondContact O-CB 3.42Å; L1026-L1030 PolarHBondContact O-N 3.48Å; L1026-I1049 HydrophobicContact CD2-CD1 4.1Å; L1026-I1049 HydrophobicContact CD2-CG1 4.32Å; L1026-I1049 HydrophobicContact CD2-CG2 3.92Å; L1026-W1053 HydrophobicContact CB-CZ2 4.46Å; L1026-W1053 HydrophobicContact CD2-CZ2 4.07Å; L1026-W1053 WeakPolarHBondContact O-CH2 3.34Å; L1026-V1059 HydrophobicContact CD2-CB 4.17Å; L1026-V1059 HydrophobicContact CD2-CG1 4.24Å; L1026-L1132 HydrophobicContact CD1-CB 4.32Å; L1026-L1132 HydrophobicContact CD1-CD1 3.58Å; L1026-I1137 HydrophobicContact CB-CD1 3.91Å |
| 1027 | Y | 89.5 | Confident | 83 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 28% | 0.275 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 170.4 | -62.1 | -52.8 | 0 | 0 | 0 | 111.5 | Y1023 A1029 L1030 E1031 I1137 Q1139 | Y1023-Y1027 VanDerWaalsContact O-CD2 3.22Å; Y1023-Y1027 WeakPolarHBondContact O-CD2 3.47Å; Y1023-Y1027 PolarHBondContact O-N 3.48Å; Y1027-A1029 VanDerWaalsContact C-N 3.28Å; Y1027-A1029 PolarHBondContact O-N 3.22Å; Y1027-L1030 WeakPolarHBondContact O-CB 3.38Å; Y1027-L1030 PolarHBondContact O-N 3.09Å; Y1027-E1031 WeakPolarHBondContact O-CG 3.46Å; Y1027-E1031 PolarHBondContact O-N 3.37Å; Y1027-I1137 HydrophobicContact CD1-CG2 3.47Å; Y1027-I1137 VanDerWaalsContact CD1-CG2 3.47Å; Y1027-I1137 HydrophobicContact CE1-CG2 3.34Å; Y1027-Q1139 HydrophobicContact CD1-CG 4.39Å; Y1027-Q1139 HydrophobicContact CE1-CG 4.48Å |
| 1028 | E | 88.5 | Confident | 82.1 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.8 | -43.3 | 174.1 | -172.5 | -173.8 | 156.9 | 0 | 0 | 111.2 | S1024 Y1032 V1046 | S1024-E1028 PolarHBondContact O-N 2.82Å; S1024-E1028 VanDerWaalsContact O-N 3.16Å; E1028-Y1032 HydrophobicContact CG-CE2 4.12Å; E1028-Y1032 WeakPolarHBondContact O-CD2 3.49Å; E1028-V1046 HydrophobicContact CB-CG2 4.07Å; E1028-V1046 HydrophobicContact CG-CG2 3.9Å |
| 1029 | A | 88.8 | Confident | 81 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.6 | -33.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H1025 L1026 Y1027 Y1032 Y1033 V1046 I1049 L1050 W1053 | H1025-A1029 WeakPolarHBondContact O-CB 3.4Å; H1025-A1029 PolarHBondContact O-N 2.99Å; L1026-A1029 PolarHBondContact O-N 3.08Å; Y1027-A1029 VanDerWaalsContact C-N 3.28Å; Y1027-A1029 PolarHBondContact O-N 3.22Å; A1029-Y1032 PolarHBondContact O-N 3.33Å; A1029-Y1033 WeakPolarHBondContact O-CB 3.49Å; A1029-Y1033 PolarHBondContact O-N 3.08Å; A1029-V1046 HydrophobicContact CB-CG1 3.89Å; A1029-V1046 HydrophobicContact CB-CG2 4.44Å; A1029-I1049 HydrophobicContact CB-CB 4.16Å; A1029-I1049 HydrophobicContact CB-CG2 3.46Å; A1029-I1049 VanDerWaalsContact CB-CG2 3.46Å; A1029-L1050 HydrophobicContact CB-CD2 4.5Å; A1029-L1050 HydrophobicContact CB-CG 4.49Å; A1029-W1053 HydrophobicContact CB-CE3 4.32Å; A1029-W1053 HydrophobicContact CB-CH2 3.72Å; A1029-W1053 HydrophobicContact CB-CZ3 3.54Å |
| 1030 | L | 88.8 | Confident | 80.4 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -39.4 | -178.4 | -172.7 | 65 | 0 | 0 | 0 | 111.8 | L1026 Y1027 Y1032 Y1033 R1034 W1053 P1134 I1137 | L1026-L1030 WeakPolarHBondContact O-CB 3.42Å; L1026-L1030 PolarHBondContact O-N 3.48Å; Y1027-L1030 WeakPolarHBondContact O-CB 3.38Å; Y1027-L1030 PolarHBondContact O-N 3.09Å; L1030-Y1032 VanDerWaalsContact C-N 3.34Å; L1030-Y1032 PolarHBondContact O-N 3.2Å; L1030-Y1033 PolarHBondContact O-N 3.48Å; L1030-R1034 WeakPolarHBondContact O-CG 3.37Å; L1030-R1034 PolarHBondContact O-N 2.89Å; L1030-W1053 HydrophobicContact CB-CH2 4.34Å; L1030-W1053 HydrophobicContact CB-CZ3 4.47Å; L1030-P1134 HydrophobicContact CD1-CB 3.78Å; L1030-I1137 HydrophobicContact CD2-CB 4.3Å; L1030-I1137 HydrophobicContact CD2-CG2 3.92Å |
| 1031 | E | 86.6 | Confident | 80.4 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 175.2 | -60.2 | 168.7 | 131 | 0 | 0 | 111.3 | Y1027 G1035 E1036 K1037 | Y1027-E1031 WeakPolarHBondContact O-CG 3.46Å; Y1027-E1031 PolarHBondContact O-N 3.37Å; E1031-G1035 PolarHBondContact O-N 3.39Å; E1031-E1036 WeakPolarHBondContact O-CB 3.16Å; E1031-E1036 PolarHBondContact O-N 2.85Å; E1031-K1037 HydrophobicContact CB-CD 3.92Å; E1031-K1037 HydrophobicContact CB-CG 4.21Å; E1031-K1037 VanDerWaalsContact CD-CE 3.42Å; E1031-K1037 PolarHBondContact O-N 2.99Å; E1031-K1037 WeakPolarHBondContact OE1-CE 3.46Å; E1031-K1037 IonicContact OE1-NZ 3.77Å; E1031-K1037 PolarHBondContact OE1-NZ 2.94Å; E1031-K1037 WeakPolarHBondContact OE2-CE 3.41Å; E1031-K1037 IonicContact OE2-NZ 3.08Å; E1031-K1037 PolarHBondContact OE2-NZ 3.15Å |
| 1032 | Y | 85.8 | Confident | 80.6 | Confident | 45 Ų | 45 | 73.8 Ų | 73.8 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70 | -37 | 173.6 | -68.9 | -69.5 | 0 | 0 | 0 | 112.6 | E1028 A1029 L1030 G1035 K1037 L1042 V1046 | E1028-Y1032 HydrophobicContact CG-CE2 4.12Å; E1028-Y1032 WeakPolarHBondContact O-CD2 3.49Å; A1029-Y1032 PolarHBondContact O-N 3.33Å; L1030-Y1032 VanDerWaalsContact C-N 3.34Å; L1030-Y1032 PolarHBondContact O-N 3.2Å; Y1032-G1035 PolarHBondContact O-N 3.16Å; Y1032-K1037 HydrophobicContact CD1-CB 3.89Å; Y1032-K1037 WeakPolarHBondContact CD1-O 3.35Å; Y1032-K1037 HydrophobicContact CE1-CB 3.75Å; Y1032-L1042 HydrophobicContact CD1-CD2 3.86Å; Y1032-L1042 HydrophobicContact CD2-CD2 3.61Å; Y1032-L1042 HydrophobicContact CE1-CD2 3.91Å; Y1032-L1042 HydrophobicContact CE2-CD2 3.66Å; Y1032-L1042 HydrophobicContact CG-CD2 3.74Å; Y1032-V1046 HydrophobicContact CD2-CG1 3.82Å; Y1032-V1046 HydrophobicContact CE2-CG1 4.25Å |
| 1033 | Y | 84.9 | Confident | 80.9 | Confident | 116 Ų | 116 | 75 Ų | 75 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.2 | -35 | 180 | -175.9 | -96.1 | 0 | 0 | 0 | 112.7 | A1029 L1030 G1035 L1050 W1053 P1134 | A1029-Y1033 WeakPolarHBondContact O-CB 3.49Å; A1029-Y1033 PolarHBondContact O-N 3.08Å; L1030-Y1033 PolarHBondContact O-N 3.48Å; Y1033-G1035 VanDerWaalsContact C-N 3.3Å; Y1033-L1050 HydrophobicContact CD2-CD2 4.35Å; Y1033-W1053 HydrophobicContact CD2-CB 4.38Å; Y1033-W1053 HydrophobicContact CD2-CE3 4.09Å; Y1033-W1053 HydrophobicContact CE2-CB 4.26Å; Y1033-W1053 HydrophobicContact CG-CE3 4.11Å; Y1033-W1053 HydrophobicContact CG-CZ3 4.47Å; Y1033-P1134 HydrophobicContact CD1-CB 3.8Å; Y1033-P1134 HydrophobicContact CD1-CG 3.81Å; Y1033-P1134 HydrophobicContact CD2-CG 4.4Å; Y1033-P1134 HydrophobicContact CE1-CB 3.75Å; Y1033-P1134 HydrophobicContact CE1-CG 3.66Å; Y1033-P1134 HydrophobicContact CE2-CG 4.27Å; Y1033-P1134 HydrophobicContact CG-CG 4.19Å |
| 1034 | R | 85.6 | Confident | 81 | Confident | 125 Ų | 125 | 74.6 Ų | 74.6 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9.4 | 173.8 | -68.8 | 179.1 | -179.7 | 173.9 | 2.9 | 113.9 | L1030 E1036 | L1030-R1034 WeakPolarHBondContact O-CG 3.37Å; L1030-R1034 PolarHBondContact O-N 2.89Å; R1034-E1036 VanDerWaalsContact C-N 3.29Å; R1034-E1036 HydrophobicContact CB-CG 3.88Å; R1034-E1036 WeakPolarHBondContact CD-OE1 3.38Å; R1034-E1036 IonicContact CZ-OE1 3.95Å; R1034-E1036 IonicContact NE-OE1 3.89Å; R1034-E1036 IonicContact NH1-OE1 3.61Å; R1034-E1036 PolarHBondContact NH1-OE1 3.27Å |
| 1035 | G | 78.4 | Confident | 81.1 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1031 Y1032 Y1033 K1037 | E1031-G1035 PolarHBondContact O-N 3.39Å; Y1032-G1035 PolarHBondContact O-N 3.16Å; Y1033-G1035 VanDerWaalsContact C-N 3.3Å; G1035-K1037 PolarHBondContact O-N 3.47Å; G1035-K1037 VanDerWaalsContact O-N 3.13Å |
| 1036 | E | 73.6 | Confident | 81.2 | Confident | 108 Ų | 108 | 70.9 Ų | 70.9 | 51% | 0.505 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -63.2 | -18.1 | 179.2 | -62.9 | 169.5 | -176.2 | 0 | 0 | 112.6 | E1031 R1034 | E1031-E1036 WeakPolarHBondContact O-CB 3.16Å; E1031-E1036 PolarHBondContact O-N 2.85Å; R1034-E1036 VanDerWaalsContact C-N 3.29Å; R1034-E1036 HydrophobicContact CB-CG 3.88Å; R1034-E1036 WeakPolarHBondContact CD-OE1 3.38Å; R1034-E1036 IonicContact CZ-OE1 3.95Å; R1034-E1036 IonicContact NE-OE1 3.89Å; R1034-E1036 IonicContact NH1-OE1 3.61Å; R1034-E1036 PolarHBondContact NH1-OE1 3.27Å |
| 1037 | K | 72.6 | Confident | 81.3 | Confident | 91 Ų | 91 | 75.4 Ų | 75.4 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -133.5 | 121.3 | 176.8 | -65.5 | -176.9 | -175 | 174.8 | 0 | 111.6 | E1031 Y1032 G1035 | E1031-K1037 HydrophobicContact CB-CD 3.92Å; E1031-K1037 HydrophobicContact CB-CG 4.21Å; E1031-K1037 VanDerWaalsContact CD-CE 3.42Å; E1031-K1037 PolarHBondContact O-N 2.99Å; E1031-K1037 WeakPolarHBondContact OE1-CE 3.46Å; E1031-K1037 IonicContact OE1-NZ 3.77Å; E1031-K1037 PolarHBondContact OE1-NZ 2.94Å; E1031-K1037 WeakPolarHBondContact OE2-CE 3.41Å; E1031-K1037 IonicContact OE2-NZ 3.08Å; E1031-K1037 PolarHBondContact OE2-NZ 3.15Å; Y1032-K1037 HydrophobicContact CD1-CB 3.89Å; Y1032-K1037 WeakPolarHBondContact CD1-O 3.35Å; Y1032-K1037 HydrophobicContact CE1-CB 3.75Å; G1035-K1037 PolarHBondContact O-N 3.47Å; G1035-K1037 VanDerWaalsContact O-N 3.13Å |
| 1038 | T | 65.8 | Low | 81.4 | Confident | 121 Ų | 121 | 73.9 Ų | 73.9 | 74% | 0.742 | 38% | 0.376 | S | S | * | . | trans | -109.3 | 151.6 | 175.4 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | K1040 | T1038-K1040 PolarHBondContact O-N 3.44Š| ||
| 1039 | A | 58.6 | Low | 81.6 | Confident | 109 Ų | 109 | 71.2 Ų | 71.2 | 90% | 0.901 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 52.4 | 40.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 1040 | K | 66.6 | Low | 81.7 | Confident | 163 Ų | 163 | 72.5 Ų | 72.5 | 71% | 0.709 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -102.8 | 151.2 | 156 | -76.1 | -176.9 | 179.3 | 175.6 | 0 | 110.9 | T1038 L1042 | T1038-K1040 PolarHBondContact O-N 3.44Å; K1040-L1042 PolarHBondContact O-N 3.25Å |
| 1041 | K | 74.6 | Confident | 81.9 | Confident | 215 Ų | 215 | 76.3 Ų | 76.3 | 94% | 0.935 | 39% | 0.388 | S | S | * | . | trans | -65.6 | 91.5 | 178.6 | -175.5 | 176.9 | -179 | 175.5 | 0 | 109.8 | C1043 | K1041-C1043 PolarHBondContact O-N 3.2Š| ||
| 1042 | L | 81 | Confident | 82.2 | Confident | 61 Ų | 61 | 74 Ų | 74 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | trans | -47.4 | 134.2 | -179.5 | -73.1 | 157.9 | 0 | 0 | 0 | 111.2 | Y1032 K1040 V1046 Q1047 L1050 | Y1032-L1042 HydrophobicContact CD1-CD2 3.86Å; Y1032-L1042 HydrophobicContact CD2-CD2 3.61Å; Y1032-L1042 HydrophobicContact CE1-CD2 3.91Å; Y1032-L1042 HydrophobicContact CE2-CD2 3.66Å; Y1032-L1042 HydrophobicContact CG-CD2 3.74Å; K1040-L1042 PolarHBondContact O-N 3.25Å; L1042-V1046 HydrophobicContact CD2-CG1 3.89Å; L1042-Q1047 HydrophobicContact CB-CB 4.45Å; L1042-L1050 HydrophobicContact CD2-CD1 4.04Å | ||
| 1043 | C | 85.1 | Confident | 82.5 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | trans | -71.4 | 144.6 | 171.7 | 76.8 | 0 | 0 | 0 | 0 | 109.4 | K1041 K1045 V1046 Q1047 | K1041-C1043 PolarHBondContact O-N 3.2Å; C1043-K1045 PolarHBondContact O-N 3.41Å; C1043-V1046 PolarHBondContact O-N 3.24Å; C1043-V1046 VanDerWaalsContact SG-CG2 3.59Å; C1043-Q1047 PolarHBondContact O-N 3.02Å | ||
| 1044 | P | 86.3 | Confident | 82.8 | Confident | 61 Ų | 61 | 72 Ų | 72 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.5 | -26.4 | -176.3 | -29.2 | 36.3 | 0 | 0 | 0 | 114.5 | H1048 T1090 | P1044-H1048 WeakPolarHBondContact O-CB 3.44Å; P1044-H1048 PolarHBondContact O-N 3.14Å; P1044-H1048 VanDerWaalsContact O-N 3.08Å; P1044-T1090 HydrophobicContact CB-CG2 4.42Å |
| 1045 | K | 88 | Confident | 83 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 10% | 0.1 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63 | -55.1 | 174.7 | -52.9 | 179.3 | -178.1 | 178.7 | 0 | 111.4 | Y1013 C1043 H1048 I1049 T1090 | Y1013-K1045 HydrophobicContact CD2-CD 4.09Å; Y1013-K1045 HydrophobicContact CD2-CG 4.47Å; Y1013-K1045 HydrophobicContact CE2-CD 3.96Å; Y1013-K1045 VanDerWaalsContact CZ-NZ 3.26Å; Y1013-K1045 PolarHBondContact OH-NZ 3.2Å; Y1013-K1045 VanDerWaalsContact OH-NZ 3.08Å; C1043-K1045 PolarHBondContact O-N 3.41Å; K1045-H1048 PolarHBondContact O-N 2.87Å; K1045-I1049 WeakPolarHBondContact O-CG1 3.44Å; K1045-I1049 PolarHBondContact O-N 3.2Å; K1045-T1090 VanDerWaalsContact CE-O 3.26Å; K1045-T1090 WeakPolarHBondContact CE-O 3.48Å; K1045-T1090 WeakPolarHBondContact CG-O 3.39Å; K1045-T1090 WeakPolarHBondContact CG-OG1 3.49Å |
| 1046 | V | 88.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.5 | -37.9 | -179.3 | 167.4 | 0 | 0 | 0 | 0 | 111 | E1028 A1029 Y1032 L1042 C1043 H1048 I1049 L1050 | E1028-V1046 HydrophobicContact CB-CG2 4.07Å; E1028-V1046 HydrophobicContact CG-CG2 3.9Å; A1029-V1046 HydrophobicContact CB-CG1 3.89Å; A1029-V1046 HydrophobicContact CB-CG2 4.44Å; Y1032-V1046 HydrophobicContact CD2-CG1 3.82Å; Y1032-V1046 HydrophobicContact CE2-CG1 4.25Å; L1042-V1046 HydrophobicContact CD2-CG1 3.89Å; C1043-V1046 PolarHBondContact O-N 3.24Å; C1043-V1046 VanDerWaalsContact SG-CG2 3.59Å; V1046-H1048 VanDerWaalsContact C-N 3.26Å; V1046-H1048 PolarHBondContact O-N 3.04Å; V1046-I1049 PolarHBondContact O-N 2.94Å; V1046-L1050 HydrophobicContact CG1-CD1 3.97Å; V1046-L1050 HydrophobicContact CG1-CG 4.34Å; V1046-L1050 WeakPolarHBondContact O-CB 3.26Å; V1046-L1050 VanDerWaalsContact O-CG 3.29Å; V1046-L1050 WeakPolarHBondContact O-CG 3.45Å; V1046-L1050 PolarHBondContact O-N 3.28Å |
| 1047 | Q | 90.3 | Very high | 84.4 | Confident | 95 Ų | 95 | 66.7 Ų | 66.7 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.9 | -41 | 171.7 | -170.1 | -178.9 | 10.4 | 0 | 0 | 111.8 | L1042 C1043 Q1051 | L1042-Q1047 HydrophobicContact CB-CB 4.45Å; C1043-Q1047 PolarHBondContact O-N 3.02Å; Q1047-Q1051 VanDerWaalsContact O-CG 3.29Å; Q1047-Q1051 WeakPolarHBondContact O-CG 3.35Å; Q1047-Q1051 PolarHBondContact O-N 3.28Å; Q1047-Q1051 VanDerWaalsContact O-N 3.08Å |
| 1048 | H | 91.2 | Very high | 85.4 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73.7 | -38.3 | 177.4 | -163.4 | 75.6 | 0 | 0 | 0 | 113.1 | D984 R986 F1012 P1044 K1045 V1046 L1050 Q1051 V1052 T1090 | D984-H1048 IonicContact OD2-CE1 3.79Å; D984-H1048 IonicContact OD2-NE2 2.65Å; R986-H1048 PolarHBondContact NH2-CE1 3.03Å; F1012-H1048 AromaticContact CD1-CD2 3.54Å; F1012-H1048 AromaticContact CD1-NE2 3.83Å; F1012-H1048 HydrophobicContact CD2-CB 4.34Å; F1012-H1048 AromaticContact CD2-CD2 3.54Å; F1012-H1048 AromaticContact CE1-CD2 3.89Å; F1012-H1048 HydrophobicContact CE2-CB 4.49Å; F1012-H1048 AromaticContact CE2-CD2 3.9Å; F1012-H1048 AromaticContact CG-CD2 3.34Å; F1012-H1048 WeakPolarHBondContact CG-CD2 2.98Å; F1012-H1048 AromaticContact CG-NE2 3.82Å; P1044-H1048 WeakPolarHBondContact O-CB 3.44Å; P1044-H1048 PolarHBondContact O-N 3.14Å; P1044-H1048 VanDerWaalsContact O-N 3.08Å; K1045-H1048 PolarHBondContact O-N 2.87Å; V1046-H1048 VanDerWaalsContact C-N 3.26Å; V1046-H1048 PolarHBondContact O-N 3.04Å; H1048-L1050 VanDerWaalsContact C-N 3.33Å; H1048-L1050 PolarHBondContact O-N 2.96Å; H1048-Q1051 PolarHBondContact ND1-OE1 3.03Å; H1048-Q1051 WeakPolarHBondContact O-CB 3.26Å; H1048-Q1051 PolarHBondContact O-N 2.91Å; H1048-V1052 WeakPolarHBondContact O-CG2 3.35Å; H1048-V1052 PolarHBondContact O-N 3.47Å; H1048-T1090 HydrophobicContact CB-CG2 4.48Å |
| 1049 | I | 92.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 172.2 | -69.6 | 159.8 | 0 | 0 | 0 | 110.4 | L982 F1012 H1025 L1026 A1029 K1045 V1046 Q1051 V1052 W1053 V1059 | L982-I1049 HydrophobicContact CD1-CD1 4.34Å; F1012-I1049 HydrophobicContact CE2-CG1 4.12Å; F1012-I1049 HydrophobicContact CZ-CG1 3.98Å; H1025-I1049 HydrophobicContact CB-CD1 3.88Å; L1026-I1049 HydrophobicContact CD2-CD1 4.1Å; L1026-I1049 HydrophobicContact CD2-CG1 4.32Å; L1026-I1049 HydrophobicContact CD2-CG2 3.92Å; A1029-I1049 HydrophobicContact CB-CB 4.16Å; A1029-I1049 HydrophobicContact CB-CG2 3.46Å; A1029-I1049 VanDerWaalsContact CB-CG2 3.46Å; K1045-I1049 WeakPolarHBondContact O-CG1 3.44Å; K1045-I1049 PolarHBondContact O-N 3.2Å; V1046-I1049 PolarHBondContact O-N 2.94Å; I1049-Q1051 VanDerWaalsContact C-N 3.34Å; I1049-Q1051 PolarHBondContact O-N 3.35Å; I1049-V1052 PolarHBondContact O-N 2.94Å; I1049-V1052 VanDerWaalsContact O-N 3.15Å; I1049-W1053 HydrophobicContact CG2-CD2 3.99Å; I1049-W1053 HydrophobicContact CG2-CE3 4.19Å; I1049-W1053 HydrophobicContact CG2-CH2 4.02Å; I1049-W1053 HydrophobicContact CG2-CZ2 3.76Å; I1049-W1053 HydrophobicContact CG2-CZ3 4.22Å; I1049-W1053 PolarHBondContact O-N 3Å; I1049-V1059 HydrophobicContact CB-CG2 4.28Å; I1049-V1059 HydrophobicContact CG1-CG2 4.19Å; I1049-V1059 HydrophobicContact CG2-CG2 4.03Å |
| 1050 | L | 91.1 | Very high | 88.4 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 175.2 | -70.9 | 168.5 | 0 | 0 | 0 | 111.9 | A1029 Y1033 L1042 V1046 H1048 V1052 W1053 T1054 | A1029-L1050 HydrophobicContact CB-CD2 4.5Å; A1029-L1050 HydrophobicContact CB-CG 4.49Å; Y1033-L1050 HydrophobicContact CD2-CD2 4.35Å; L1042-L1050 HydrophobicContact CD2-CD1 4.04Å; V1046-L1050 HydrophobicContact CG1-CD1 3.97Å; V1046-L1050 HydrophobicContact CG1-CG 4.34Å; V1046-L1050 WeakPolarHBondContact O-CB 3.26Å; V1046-L1050 VanDerWaalsContact O-CG 3.29Å; V1046-L1050 WeakPolarHBondContact O-CG 3.45Å; V1046-L1050 PolarHBondContact O-N 3.28Å; H1048-L1050 VanDerWaalsContact C-N 3.33Å; H1048-L1050 PolarHBondContact O-N 2.96Å; L1050-V1052 VanDerWaalsContact C-N 3.3Å; L1050-V1052 PolarHBondContact O-N 3Å; L1050-W1053 HydrophobicContact CD2-CE3 4.23Å; L1050-W1053 PolarHBondContact O-N 3.15Å; L1050-T1054 WeakPolarHBondContact O-CG2 3.43Å; L1050-T1054 PolarHBondContact O-N 3.29Å; L1050-T1054 PolarHBondContact O-OG1 2.79Å; L1050-T1054 VanDerWaalsContact O-OG1 3.13Å |
| 1051 | Q | 92.4 | Very high | 89.7 | Confident | 82 Ų | 82 | 45 Ų | 45 | 38% | 0.383 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.7 | -32.1 | 175.1 | -74.6 | 169 | -4.8 | 0 | 0 | 113.6 | R986 Q1047 H1048 I1049 T1054 A1055 | R986-Q1051 PolarHBondContact NH1-O 3.49Å; Q1047-Q1051 VanDerWaalsContact O-CG 3.29Å; Q1047-Q1051 WeakPolarHBondContact O-CG 3.35Å; Q1047-Q1051 PolarHBondContact O-N 3.28Å; Q1047-Q1051 VanDerWaalsContact O-N 3.08Å; H1048-Q1051 PolarHBondContact ND1-OE1 3.03Å; H1048-Q1051 WeakPolarHBondContact O-CB 3.26Å; H1048-Q1051 PolarHBondContact O-N 2.91Å; I1049-Q1051 VanDerWaalsContact C-N 3.34Å; I1049-Q1051 PolarHBondContact O-N 3.35Å; Q1051-T1054 PolarHBondContact O-OG1 3.08Å; Q1051-A1055 PolarHBondContact O-N 2.68Å |
| 1052 | V | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.6 | -44.2 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | D984 P985 H1048 I1049 L1050 A1055 Q1057 V1059 | D984-V1052 HydrophobicContact CB-CG2 4.48Å; P985-V1052 HydrophobicContact CG-CG1 3.57Å; H1048-V1052 WeakPolarHBondContact O-CG2 3.35Å; H1048-V1052 PolarHBondContact O-N 3.47Å; I1049-V1052 PolarHBondContact O-N 2.94Å; I1049-V1052 VanDerWaalsContact O-N 3.15Å; L1050-V1052 VanDerWaalsContact C-N 3.3Å; L1050-V1052 PolarHBondContact O-N 3Å; V1052-A1055 WeakPolarHBondContact O-CB 3.41Å; V1052-A1055 PolarHBondContact O-N 2.61Å; V1052-Q1057 CarbonylContact C-O 3.58Å; V1052-Q1057 HydrophobicContact CG1-CB 4.28Å; V1052-Q1057 PolarHBondContact O-N 3.06Å; V1052-V1059 HydrophobicContact CB-CG2 3.79Å; V1052-V1059 HydrophobicContact CG1-CG2 3.73Å; V1052-V1059 HydrophobicContact CG2-CG2 4.23Å |
| 1053 | W | 92.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69 | -37.6 | 179.6 | -67.4 | -14.6 | 0 | 0 | 0 | 113.8 | L1026 A1029 L1030 Y1033 I1049 L1050 A1055 G1056 L1132 P1134 I1137 | L1026-W1053 HydrophobicContact CB-CZ2 4.46Å; L1026-W1053 HydrophobicContact CD2-CZ2 4.07Å; L1026-W1053 WeakPolarHBondContact O-CH2 3.34Å; A1029-W1053 HydrophobicContact CB-CE3 4.32Å; A1029-W1053 HydrophobicContact CB-CH2 3.72Å; A1029-W1053 HydrophobicContact CB-CZ3 3.54Å; L1030-W1053 HydrophobicContact CB-CH2 4.34Å; L1030-W1053 HydrophobicContact CB-CZ3 4.47Å; Y1033-W1053 HydrophobicContact CD2-CB 4.38Å; Y1033-W1053 HydrophobicContact CD2-CE3 4.09Å; Y1033-W1053 HydrophobicContact CE2-CB 4.26Å; Y1033-W1053 HydrophobicContact CG-CE3 4.11Å; Y1033-W1053 HydrophobicContact CG-CZ3 4.47Å; I1049-W1053 HydrophobicContact CG2-CD2 3.99Å; I1049-W1053 HydrophobicContact CG2-CE3 4.19Å; I1049-W1053 HydrophobicContact CG2-CH2 4.02Å; I1049-W1053 HydrophobicContact CG2-CZ2 3.76Å; I1049-W1053 HydrophobicContact CG2-CZ3 4.22Å; I1049-W1053 PolarHBondContact O-N 3Å; L1050-W1053 HydrophobicContact CD2-CE3 4.23Å; L1050-W1053 PolarHBondContact O-N 3.15Å; W1053-A1055 PolarHBondContact O-N 2.93Å; W1053-G1056 PolarHBondContact O-N 2.71Å; W1053-L1132 PolarHBondContact NE1-O 3.08Å; W1053-P1134 HydrophobicContact CB-CG 4.28Å; W1053-P1134 HydrophobicContact CD2-CG 3.65Å; W1053-P1134 HydrophobicContact CE3-CG 3.74Å; W1053-P1134 HydrophobicContact CG-CG 3.92Å; W1053-P1134 HydrophobicContact CZ3-CG 4.2Å; W1053-I1137 HydrophobicContact CH2-CD1 3.78Å; W1053-I1137 HydrophobicContact CZ2-CD1 3.41Å; W1053-I1137 VanDerWaalsContact CZ2-CD1 3.41Å |
| 1054 | T | 90.4 | Very high | 91.5 | Very high | 111 Ų | 111 | 33 Ų | 33 | 68% | 0.681 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -68.3 | -19.8 | 173.5 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | L1050 Q1051 G1056 | L1050-T1054 WeakPolarHBondContact O-CG2 3.43Å; L1050-T1054 PolarHBondContact O-N 3.29Å; L1050-T1054 PolarHBondContact O-OG1 2.79Å; L1050-T1054 VanDerWaalsContact O-OG1 3.13Å; Q1051-T1054 PolarHBondContact O-OG1 3.08Å; T1054-G1056 PolarHBondContact O-N 2.74Å |
| 1055 | A | 91.2 | Very high | 91.8 | Very high | 51 Ų | 51 | 31 Ų | 31 | 42% | 0.421 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 8.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1051 V1052 W1053 Q1057 | Q1051-A1055 PolarHBondContact O-N 2.68Å; V1052-A1055 WeakPolarHBondContact O-CB 3.41Å; V1052-A1055 PolarHBondContact O-N 2.61Å; W1053-A1055 PolarHBondContact O-N 2.93Å; A1055-Q1057 VanDerWaalsContact C-N 3.3Å; A1055-Q1057 PolarHBondContact O-N 2.67Å |
| 1056 | G | 89.4 | Confident | 92 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 57% | 0.567 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 10.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W1053 T1054 | W1053-G1056 PolarHBondContact O-N 2.71Å; T1054-G1056 PolarHBondContact O-N 2.74Å |
| 1057 | Q | 91.8 | Very high | 92.1 | Very high | 64 Ų | 64 | 41 Ų | 41 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | trans | -112 | 158.2 | -179.1 | -58.7 | -171.3 | -5.6 | 0 | 0 | 110.9 | P985 R986 V1052 A1055 | P985-Q1057 VanDerWaalsContact C-OE1 3.24Å; P985-Q1057 HydrophobicContact CB-CB 4.24Å; P985-Q1057 HydrophobicContact CG-CB 3.55Å; R986-Q1057 VanDerWaalsContact CG-OE1 3.22Å; R986-Q1057 VanDerWaalsContact N-OE1 3.1Å; V1052-Q1057 CarbonylContact C-O 3.58Å; V1052-Q1057 HydrophobicContact CG1-CB 4.28Å; V1052-Q1057 PolarHBondContact O-N 3.06Å; A1055-Q1057 VanDerWaalsContact C-N 3.3Å; A1055-Q1057 PolarHBondContact O-N 2.67Å | ||
| 1058 | G | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -101.9 | 138.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P985 I1060 Q1131 L1132 | P985-G1058 WeakPolarHBondContact CG-O 3.22Å; G1058-I1060 PolarHBondContact O-N 2.8Å; G1058-Q1131 VanDerWaalsContact N-OE1 3.1Å; G1058-Q1131 VanDerWaalsContact O-CB 3.24Å; G1058-Q1131 WeakPolarHBondContact O-CB 3.28Å; G1058-Q1131 VanDerWaalsContact O-CG 3.3Å; G1058-Q1131 WeakPolarHBondContact O-CG 3.46Å; G1058-L1132 CarbonylContact C-O 3.59Å; G1058-L1132 WeakPolarHBondContact CA-O 3.31Å |
| 1059 | V | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 135 | -179.7 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | L982 F1012 L1026 I1049 V1052 L1132 | L982-V1059 HydrophobicContact CB-CG1 4.26Å; L982-V1059 HydrophobicContact CD2-CG1 4.38Å; F1012-V1059 HydrophobicContact CE1-CG1 4.06Å; F1012-V1059 HydrophobicContact CZ-CG1 3.87Å; L1026-V1059 HydrophobicContact CD2-CB 4.17Å; L1026-V1059 HydrophobicContact CD2-CG1 4.24Å; I1049-V1059 HydrophobicContact CB-CG2 4.28Å; I1049-V1059 HydrophobicContact CG1-CG2 4.19Å; I1049-V1059 HydrophobicContact CG2-CG2 4.03Å; V1052-V1059 HydrophobicContact CB-CG2 3.79Å; V1052-V1059 HydrophobicContact CG1-CG2 3.73Å; V1052-V1059 HydrophobicContact CG2-CG2 4.23Å; V1059-L1132 PolarHBondContact N-O 3.25Å; V1059-L1132 WeakPolarHBondContact O-CB 3.47Å; V1059-L1132 PolarHBondContact O-N 3.38Å |
| 1060 | I | 93.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.4 | 178.2 | -58.2 | 155.4 | 0 | 0 | 0 | 108.3 | L982 L983 P985 T988 G1058 F1124 E1129 Q1131 | L982-I1060 WeakPolarHBondContact CA-O 3.24Å; L983-I1060 HydrophobicContact CB-CB 4.05Å; L983-I1060 HydrophobicContact CB-CD1 4.15Å; L983-I1060 HydrophobicContact CB-CG2 4.37Å; L983-I1060 PolarHBondContact N-O 3.44Å; L983-I1060 PolarHBondContact O-N 3.44Å; P985-I1060 HydrophobicContact CB-CD1 4.01Å; P985-I1060 HydrophobicContact CB-CG1 4.41Å; T988-I1060 HydrophobicContact CG2-CD1 4.13Å; G1058-I1060 PolarHBondContact O-N 2.8Å; I1060-F1124 HydrophobicContact CD1-CZ 4.38Å; I1060-F1124 HydrophobicContact CG2-CE2 3.95Å; I1060-E1129 HydrophobicContact CD1-CG 3.56Å; I1060-E1129 HydrophobicContact CG1-CG 3.83Å; I1060-Q1131 HydrophobicContact CG1-CG 4.19Å |
| 1061 | S | 93.6 | Very high | 92.1 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 110.1 | 173.2 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1062 | L | 93.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.4 | -174.1 | 172.6 | 65.7 | 0 | 0 | 0 | 110.2 | Y980 L981 L983 F1007 I1123 F1124 | Y980-L1062 WeakPolarHBondContact CA-O 3.37Å; Y980-L1062 WeakPolarHBondContact CB-O 3.46Å; L981-L1062 HydrophobicContact CB-CB 4.35Å; L981-L1062 HydrophobicContact CB-CD2 4.42Å; L981-L1062 HydrophobicContact CD1-CD2 3.98Å; L981-L1062 PolarHBondContact N-O 3.05Å; L981-L1062 PolarHBondContact O-N 3.36Å; L983-L1062 HydrophobicContact CD1-CB 4Å; L983-L1062 HydrophobicContact CD1-CD2 4.08Å; F1007-L1062 HydrophobicContact CE2-CD2 3.84Å; F1007-L1062 HydrophobicContact CZ-CD2 3.94Å; L1062-I1123 HydrophobicContact CD1-CG2 4.1Å; L1062-F1124 HydrophobicContact CD1-CB 4.07Å; L1062-F1124 HydrophobicContact CD1-CD2 4.35Å; L1062-F1124 HydrophobicContact CD2-CB 3.79Å; L1062-F1124 HydrophobicContact CD2-CD2 4.45Å; L1062-F1124 HydrophobicContact CD2-CG 4.32Å |
| 1063 | H | 92.9 | Very high | 92.1 | Very high | 46 Ų | 46 | 30.2 Ų | 30.2 | 21% | 0.213 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 94.8 | -173.4 | -70 | 179.9 | 0 | 0 | 0 | 112.5 | F978 P1022 Q1066 | F978-H1063 HydrophobicContact CD2-CB 4.3Å; F978-H1063 HydrophobicContact CE2-CB 4.45Å; F978-H1063 AromaticContact CE2-CD2 3.8Å; F978-H1063 AromaticContact CE2-CE1 3.99Å; F978-H1063 AromaticContact CE2-CG 3.83Å; F978-H1063 AromaticContact CE2-ND1 3.95Å; F978-H1063 AromaticContact CE2-NE2 3.9Å; P1022-H1063 WeakPolarHBondContact CG-NE2 3.18Å; H1063-Q1066 PolarHBondContact O-NE2 2.85Å; H1063-Q1066 VanDerWaalsContact O-NE2 3.08Å |
| 1064 | C | 92.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 159.6 | -178.3 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | N979 Q1066 A1120 I1123 | N979-C1064 CarbonylContact C-O 3.6Å; N979-C1064 PolarHBondContact N-O 3.2Å; N979-C1064 PolarHBondContact O-N 3.31Å; C1064-Q1066 PolarHBondContact O-N 3.39Å; C1064-A1120 HydrophobicContact CB-CB 4.49Å; C1064-I1123 HydrophobicContact CB-CD1 4.03Å |
| 1065 | F | 92.6 | Very high | 92.3 | Very high | 18 Ų | 18 | 26.3 Ų | 26.3 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 60.2 | 173.3 | -46 | -64.8 | 0 | 0 | 0 | 113.9 | F978 N979 V1068 R1076 M1080 L1116 R1119 | F978-F1065 WeakPolarHBondContact CA-O 3.42Å; N979-F1065 HydrophobicContact CB-CD2 4.15Å; F1065-V1068 VanDerWaalsContact O-CG2 3.27Å; F1065-V1068 WeakPolarHBondContact O-CG2 3.31Å; F1065-R1076 VanDerWaalsContact CG-CD 3.49Å; F1065-M1080 HydrophobicContact CE2-SD 4.26Å; F1065-L1116 HydrophobicContact CD1-CD2 4.45Å; F1065-L1116 HydrophobicContact CE1-CD2 3.77Å; F1065-L1116 HydrophobicContact CE2-CB 4.22Å; F1065-L1116 HydrophobicContact CE2-CD2 4.05Å; F1065-L1116 HydrophobicContact CZ-CB 4.03Å; F1065-L1116 HydrophobicContact CZ-CD2 3.55Å; F1065-L1116 HydrophobicContact CZ-CG 4.4Å; F1065-L1116 WeakPolarHBondContact CZ-O 3.13Å; F1065-R1119 HydrophobicContact CE1-CB 4.44Å; F1065-R1119 HydrophobicContact CZ-CB 4.29Å |
| 1066 | Q | 91.3 | Very high | 92.4 | Very high | 110 Ų | 110 | 24.3 Ų | 24.3 | 51% | 0.514 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 163 | -176 | -55.8 | 178.8 | 24.9 | 0 | 0 | 113 | F978 H1063 C1064 | F978-Q1066 HydrophobicContact CB-CB 4.41Å; F978-Q1066 HydrophobicContact CB-CG 4.18Å; H1063-Q1066 PolarHBondContact O-NE2 2.85Å; H1063-Q1066 VanDerWaalsContact O-NE2 3.08Å; C1064-Q1066 PolarHBondContact O-N 3.39Å |
| 1067 | N | 90.4 | Very high | 92.7 | Very high | 122 Ų | 122 | 22.8 Ų | 22.8 | 65% | 0.652 | 11% | 0.112 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 59.5 | 41.7 | -179.7 | -59.3 | -34.2 | 0 | 0 | 0 | 114.1 | K975 S977 | K975-N1067 WeakPolarHBondContact CB-O 3.39Å; K975-N1067 WeakPolarHBondContact CD-O 3.44Å; S977-N1067 PolarHBondContact O-N 3.01Å |
| 1068 | V | 91.3 | Very high | 92.8 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 6% | 0.055 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 151.2 | -172.1 | 157.5 | 0 | 0 | 0 | 0 | 110.7 | S976 S977 F1065 E1072 A1073 | S976-V1068 PolarHBondContact N-O 3.13Å; S976-V1068 VanDerWaalsContact N-O 3.16Å; S977-V1068 WeakPolarHBondContact CA-O 3.18Å; S977-V1068 WeakPolarHBondContact CB-O 3.48Å; S977-V1068 PolarHBondContact N-O 3.44Å; S977-V1068 PolarHBondContact O-N 3.15Å; F1065-V1068 VanDerWaalsContact O-CG2 3.27Å; F1065-V1068 WeakPolarHBondContact O-CG2 3.31Å; V1068-E1072 HydrophobicContact CG1-CB 3.73Å; V1068-E1072 HydrophobicContact CG1-CG 3.69Å; V1068-A1073 HydrophobicContact CG1-CB 3.79Å |
| 1069 | I | 90.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | trans | -74.1 | 153.2 | 175.2 | 77.6 | 167.7 | 0 | 0 | 0 | 110.3 | F960 P963 I973 K975 V1071 E1072 A1073 | F960-I1069 HydrophobicContact CB-CD1 3.85Å; F960-I1069 HydrophobicContact CB-CG1 4.06Å; F960-I1069 HydrophobicContact CD1-CD1 3.5Å; F960-I1069 VanDerWaalsContact CD1-CD1 3.5Å; F960-I1069 HydrophobicContact CD1-CG1 4.27Å; F960-I1069 HydrophobicContact CE1-CD1 4.3Å; F960-I1069 HydrophobicContact CG-CD1 3.92Å; F960-I1069 HydrophobicContact CG-CG1 4.27Å; P963-I1069 HydrophobicContact CB-CD1 4.42Å; I973-I1069 VanDerWaalsContact O-CG2 3.27Å; I973-I1069 WeakPolarHBondContact O-CG2 3.13Å; K975-I1069 HydrophobicContact CD-CG2 4.47Å; K975-I1069 HydrophobicContact CG-CG2 3.49Å; K975-I1069 VanDerWaalsContact CG-CG2 3.49Å; I1069-V1071 VanDerWaalsContact C-N 3.3Å; I1069-V1071 HydrophobicContact CD1-CB 4.2Å; I1069-V1071 HydrophobicContact CG1-CB 4.35Å; I1069-V1071 PolarHBondContact O-N 3.36Å; I1069-E1072 HydrophobicContact CG1-CB 3.62Å; I1069-E1072 PolarHBondContact O-N 3.1Å; I1069-E1072 VanDerWaalsContact O-N 3.13Å; I1069-A1073 PolarHBondContact O-N 2.82Å | ||
| 1070 | P | 91.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.5 | -41.7 | -173.3 | -22.6 | 32.8 | 0 | 0 | 0 | 113.5 | E971 G972 S977 E1072 A1073 Y1074 | E971-P1070 HydrophobicContact CB-CB 3.73Å; E971-P1070 HydrophobicContact CB-CG 3.81Å; G972-P1070 WeakPolarHBondContact O-CD 3.41Å; S977-P1070 WeakPolarHBondContact OG-CA 3.07Å; S977-P1070 WeakPolarHBondContact OG-CG 3.42Å; P1070-E1072 PolarHBondContact O-N 3.3Å; P1070-A1073 PolarHBondContact O-N 2.79Å; P1070-Y1074 WeakPolarHBondContact O-CD2 3.34Å; P1070-Y1074 PolarHBondContact O-N 3.03Å |
| 1071 | V | 91.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 112.9 | F960 W969 R970 I1069 T1075 Y1098 | F960-V1071 HydrophobicContact CE1-CB 4.4Å; F960-V1071 HydrophobicContact CE1-CG1 3.67Å; F960-V1071 HydrophobicContact CZ-CG1 3.84Å; W969-V1071 HydrophobicContact CB-CG2 3.91Å; W969-V1071 HydrophobicContact CE3-CB 4.33Å; W969-V1071 HydrophobicContact CE3-CG1 3.7Å; W969-V1071 HydrophobicContact CE3-CG2 4.08Å; W969-V1071 HydrophobicContact CZ3-CG1 3.9Å; R970-V1071 HydrophobicContact CB-CG2 4.21Å; R970-V1071 WeakPolarHBondContact O-CG2 3.37Å; I1069-V1071 VanDerWaalsContact C-N 3.3Å; I1069-V1071 HydrophobicContact CD1-CB 4.2Å; I1069-V1071 HydrophobicContact CG1-CB 4.35Å; I1069-V1071 PolarHBondContact O-N 3.36Å; V1071-T1075 PolarHBondContact O-N 2.81Å; V1071-T1075 PolarHBondContact O-OG1 3.38Å; V1071-Y1098 HydrophobicContact CB-CD2 4.45Å; V1071-Y1098 HydrophobicContact CG1-CD1 4.32Å; V1071-Y1098 HydrophobicContact CG1-CD2 3.68Å; V1071-Y1098 HydrophobicContact CG1-CG 3.53Å |
| 1072 | E | 92.5 | Very high | 92.9 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.9 | -41.9 | 177.7 | 179.4 | -169.2 | 168.6 | 0 | 0 | 110.5 | L956 F960 V1068 I1069 P1070 T1075 R1076 | L956-E1072 HydrophobicContact CD2-CG 4.4Å; F960-E1072 HydrophobicContact CB-CB 4.06Å; F960-E1072 HydrophobicContact CB-CG 4.21Å; F960-E1072 HydrophobicContact CD2-CB 3.5Å; F960-E1072 VanDerWaalsContact CD2-CB 3.5Å; F960-E1072 HydrophobicContact CD2-CG 3.59Å; F960-E1072 HydrophobicContact CE2-CB 4.01Å; F960-E1072 HydrophobicContact CE2-CG 4.28Å; F960-E1072 HydrophobicContact CG-CB 3.81Å; F960-E1072 HydrophobicContact CG-CG 4.19Å; V1068-E1072 HydrophobicContact CG1-CB 3.73Å; V1068-E1072 HydrophobicContact CG1-CG 3.69Å; I1069-E1072 HydrophobicContact CG1-CB 3.62Å; I1069-E1072 PolarHBondContact O-N 3.1Å; I1069-E1072 VanDerWaalsContact O-N 3.13Å; P1070-E1072 PolarHBondContact O-N 3.3Å; E1072-T1075 PolarHBondContact O-N 3.08Å; E1072-T1075 VanDerWaalsContact O-N 3.16Å; E1072-R1076 PolarHBondContact O-N 3.04Å; E1072-R1076 IonicContact OE1-CZ 3.22Å; E1072-R1076 IonicContact OE1-NH1 3.63Å; E1072-R1076 PolarHBondContact OE1-NH1 3.36Å; E1072-R1076 IonicContact OE1-NH2 3.84Å; E1072-R1076 PolarHBondContact OE1-NH2 3.47Å |
| 1073 | A | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N979 K1016 V1068 I1069 P1070 T1075 R1076 E1077 | N979-A1073 PolarHBondContact ND2-O 2.94Å; K1016-A1073 HydrophobicContact CB-CB 4.05Å; V1068-A1073 HydrophobicContact CG1-CB 3.79Å; I1069-A1073 PolarHBondContact O-N 2.82Å; P1070-A1073 PolarHBondContact O-N 2.79Å; A1073-T1075 VanDerWaalsContact C-N 3.33Å; A1073-R1076 PolarHBondContact O-N 2.89Å; A1073-E1077 WeakPolarHBondContact O-CB 3.16Å; A1073-E1077 PolarHBondContact O-N 3.4Å |
| 1074 | Y | 93 | Very high | 92.8 | Very high | 35 Ų | 35 | 16.8 Ų | 16.8 | 14% | 0.137 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 171 | -83.3 | -64.8 | 0 | 0 | 0 | 111.9 | R970 E971 K1016 P1070 E1077 A1078 Y1098 | R970-Y1074 HydrophobicContact CG-CE2 4.43Å; E971-Y1074 PolarHBondContact OE1-OH 3.08Å; K1016-Y1074 HydrophobicContact CD-CE1 4.33Å; K1016-Y1074 HydrophobicContact CD-CE2 4.45Å; K1016-Y1074 VanDerWaalsContact CE-OH 3.24Å; K1016-Y1074 WeakPolarHBondContact CE-OH 3.45Å; K1016-Y1074 HydrophobicContact CG-CD1 4.12Å; K1016-Y1074 HydrophobicContact CG-CE1 4.03Å; K1016-Y1074 PolarHBondContact NZ-OH 3.08Å; P1070-Y1074 WeakPolarHBondContact O-CD2 3.34Å; P1070-Y1074 PolarHBondContact O-N 3.03Å; Y1074-E1077 WeakPolarHBondContact O-CB 3.49Å; Y1074-E1077 PolarHBondContact O-N 2.89Å; Y1074-A1078 WeakPolarHBondContact O-CB 3.12Å; Y1074-A1078 PolarHBondContact O-N 3.33Å; Y1074-Y1098 HydrophobicContact CD2-CE2 4.17Å; Y1074-Y1098 HydrophobicContact CG-CE2 4.08Å |
| 1075 | T | 93.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.8 | -39.3 | -178.7 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | L956 V1071 E1072 A1073 A1078 C1079 Y1098 V1101 | L956-T1075 HydrophobicContact CD1-CG2 3.57Å; V1071-T1075 PolarHBondContact O-N 2.81Å; V1071-T1075 PolarHBondContact O-OG1 3.38Å; E1072-T1075 PolarHBondContact O-N 3.08Å; E1072-T1075 VanDerWaalsContact O-N 3.16Å; A1073-T1075 VanDerWaalsContact C-N 3.33Å; T1075-A1078 PolarHBondContact O-N 3.45Å; T1075-C1079 PolarHBondContact O-N 3.18Å; T1075-Y1098 PolarHBondContact OG1-N 2.91Å; T1075-V1101 HydrophobicContact CG2-CB 3.77Å; T1075-V1101 HydrophobicContact CG2-CG1 3.86Å; T1075-V1101 HydrophobicContact CG2-CG2 4.23Å |
| 1076 | R | 94.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 19.2 Ų | 19.2 | 3% | 0.034 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 170.1 | -75.4 | -160.9 | 176.5 | 86.5 | 3.9 | 112 | E953 L956 C957 N979 F1065 E1072 A1073 C1079 M1080 L1116 | E953-R1076 IonicContact OE1-CZ 2.71Å; E953-R1076 IonicContact OE1-NE 3.75Å; E953-R1076 PolarHBondContact OE1-NE 3.07Å; E953-R1076 IonicContact OE1-NH2 3.8Å; E953-R1076 PolarHBondContact OE1-NH2 3.21Å; L956-R1076 HydrophobicContact CD2-CG 4Å; C957-R1076 PolarHBondContact SG-NH2 3.32Å; N979-R1076 VanDerWaalsContact OD1-CB 3.31Å; N979-R1076 WeakPolarHBondContact OD1-CB 3.4Å; F1065-R1076 VanDerWaalsContact CG-CD 3.49Å; E1072-R1076 PolarHBondContact O-N 3.04Å; E1072-R1076 IonicContact OE1-CZ 3.22Å; E1072-R1076 IonicContact OE1-NH1 3.63Å; E1072-R1076 PolarHBondContact OE1-NH1 3.36Å; E1072-R1076 IonicContact OE1-NH2 3.84Å; E1072-R1076 PolarHBondContact OE1-NH2 3.47Å; A1073-R1076 PolarHBondContact O-N 2.89Å; R1076-C1079 PolarHBondContact O-N 3.05Å; R1076-M1080 HydrophobicContact CB-CE 4.41Å; R1076-M1080 WeakPolarHBondContact O-CE 3.34Å; R1076-M1080 WeakPolarHBondContact O-CG 3.47Å; R1076-M1080 PolarHBondContact O-N 3.41Å; R1076-L1116 HydrophobicContact CB-CD1 4.13Å; R1076-L1116 HydrophobicContact CG-CD1 3.85Å; R1076-L1116 HydrophobicContact CG-CD2 4.36Å |
| 1077 | E | 94.7 | Very high | 92.1 | Very high | 23 Ų | 23 | 22.8 Ų | 22.8 | 11% | 0.107 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 173.8 | 179.2 | -179.2 | 162.2 | 0 | 0 | 110.6 | V1014 K1016 A1073 Y1074 C1079 M1080 V1081 | V1014-E1077 HydrophobicContact CG1-CG 4.31Å; K1016-E1077 WeakPolarHBondContact CB-OE2 3.46Å; K1016-E1077 WeakPolarHBondContact CG-OE2 3.38Å; K1016-E1077 PolarHBondContact N-OE2 3.32Å; A1073-E1077 WeakPolarHBondContact O-CB 3.16Å; A1073-E1077 PolarHBondContact O-N 3.4Å; Y1074-E1077 WeakPolarHBondContact O-CB 3.49Å; Y1074-E1077 PolarHBondContact O-N 2.89Å; E1077-C1079 PolarHBondContact O-N 3.44Å; E1077-M1080 PolarHBondContact O-N 3.05Å; E1077-V1081 HydrophobicContact CG-CG2 4.26Å; E1077-V1081 WeakPolarHBondContact O-CB 3.44Å; E1077-V1081 VanDerWaalsContact O-CG2 3.22Å; E1077-V1081 WeakPolarHBondContact O-CG2 3.31Å; E1077-V1081 PolarHBondContact O-N 3.49Å |
| 1078 | A | 94.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.017 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1074 T1075 V1081 E1082 G1095 F1097 | Y1074-A1078 WeakPolarHBondContact O-CB 3.12Å; Y1074-A1078 PolarHBondContact O-N 3.33Å; T1075-A1078 PolarHBondContact O-N 3.45Å; A1078-V1081 PolarHBondContact O-N 3.15Å; A1078-E1082 VanDerWaalsContact O-CB 3.31Å; A1078-E1082 WeakPolarHBondContact O-CB 3.5Å; A1078-E1082 PolarHBondContact O-N 2.93Å; A1078-G1095 WeakPolarHBondContact CB-O 3.48Å; A1078-F1097 HydrophobicContact CB-CD1 3.66Å; A1078-F1097 HydrophobicContact CB-CD2 4.33Å; A1078-F1097 HydrophobicContact CB-CE1 3.55Å; A1078-F1097 HydrophobicContact CB-CE2 4.24Å; A1078-F1097 HydrophobicContact CB-CG 4.05Å; A1078-F1097 HydrophobicContact CB-CZ 3.86Å |
| 1079 | C | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 175.8 | -82.7 | 0 | 0 | 0 | 0 | 112.8 | T1075 R1076 E1077 E1082 A1083 K1109 G1113 L1116 | T1075-C1079 PolarHBondContact O-N 3.18Å; R1076-C1079 PolarHBondContact O-N 3.05Å; E1077-C1079 PolarHBondContact O-N 3.44Å; C1079-E1082 PolarHBondContact O-N 3.04Å; C1079-A1083 WeakPolarHBondContact O-CB 3.2Å; C1079-A1083 PolarHBondContact O-N 2.9Å; C1079-K1109 PolarHBondContact SG-O 3.11Å; C1079-G1113 WeakPolarHBondContact O-CA 3.46Å; C1079-L1116 HydrophobicContact CB-CD1 4.25Å |
| 1080 | M | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 178.3 | -68 | -173.4 | -71.4 | 0 | 0 | 112.1 | N979 V1014 F1065 R1076 E1077 A1083 I1084 L1116 L1117 | N979-M1080 HydrophobicContact CB-CE 4.04Å; V1014-M1080 HydrophobicContact CG1-CB 4.09Å; V1014-M1080 HydrophobicContact CG1-CE 3.91Å; F1065-M1080 HydrophobicContact CE2-SD 4.26Å; R1076-M1080 HydrophobicContact CB-CE 4.41Å; R1076-M1080 WeakPolarHBondContact O-CE 3.34Å; R1076-M1080 WeakPolarHBondContact O-CG 3.47Å; R1076-M1080 PolarHBondContact O-N 3.41Å; E1077-M1080 PolarHBondContact O-N 3.05Å; M1080-A1083 PolarHBondContact O-N 3.27Å; M1080-I1084 PolarHBondContact O-N 2.81Å; M1080-L1116 HydrophobicContact CG-CB 4.01Å; M1080-L1116 HydrophobicContact SD-CB 4.26Å; M1080-L1117 HydrophobicContact CB-CD2 4.2Å; M1080-L1117 HydrophobicContact CB-CG 4.31Å; M1080-L1117 HydrophobicContact CG-CD2 4.12Å; M1080-L1117 HydrophobicContact CG-CG 4.03Å; M1080-L1117 HydrophobicContact SD-CD2 4.11Å; M1080-L1117 HydrophobicContact SD-CG 4.46Å |
| 1081 | V | 93.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.5 | -33.6 | 177.3 | 171.1 | 0 | 0 | 0 | 0 | 112.4 | V1014 E1077 A1078 G1085 L1086 L1089 | V1014-V1081 HydrophobicContact CB-CG2 3.85Å; V1014-V1081 HydrophobicContact CG1-CG2 4.11Å; V1014-V1081 HydrophobicContact CG2-CG2 4.31Å; E1077-V1081 HydrophobicContact CG-CG2 4.26Å; E1077-V1081 WeakPolarHBondContact O-CB 3.44Å; E1077-V1081 VanDerWaalsContact O-CG2 3.22Å; E1077-V1081 WeakPolarHBondContact O-CG2 3.31Å; E1077-V1081 PolarHBondContact O-N 3.49Å; A1078-V1081 PolarHBondContact O-N 3.15Å; V1081-G1085 WeakPolarHBondContact O-CA 3.39Å; V1081-G1085 PolarHBondContact O-N 3.3Å; V1081-L1086 HydrophobicContact CG1-CD2 3.53Å; V1081-L1086 HydrophobicContact CG1-CG 4.33Å; V1081-L1089 HydrophobicContact CB-CD1 4.37Å; V1081-L1089 HydrophobicContact CG1-CD1 4.34Å; V1081-L1089 HydrophobicContact CG2-CD1 4.01Å |
| 1082 | E | 92.6 | Very high | 90.5 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -77.2 | -28.6 | 174.9 | -173.4 | 61.4 | -147.8 | 0 | 0 | 112.5 | A1078 C1079 R1094 F1097 R1110 | A1078-E1082 VanDerWaalsContact O-CB 3.31Å; A1078-E1082 WeakPolarHBondContact O-CB 3.5Å; A1078-E1082 PolarHBondContact O-N 2.93Å; C1079-E1082 PolarHBondContact O-N 3.04Å; E1082-R1094 VanDerWaalsContact CD-NH1 3.33Å; E1082-R1094 IonicContact OE1-NH1 2.64Å; E1082-R1094 PolarHBondContact OE1-NH1 3.18Å; E1082-R1094 IonicContact OE2-CZ 2.7Å; E1082-R1094 IonicContact OE2-NH1 3.63Å; E1082-R1094 PolarHBondContact OE2-NH1 2.93Å; E1082-F1097 HydrophobicContact CB-CZ 4.18Å; E1082-F1097 HydrophobicContact CG-CZ 4.49Å; E1082-R1110 HydrophobicContact CG-CG 3.83Å; E1082-R1110 IonicContact OE1-CZ 3.63Å; E1082-R1110 IonicContact OE1-NE 2.79Å; E1082-R1110 PolarHBondContact OE1-NE 3Å; E1082-R1110 IonicContact OE1-NH2 2.82Å; E1082-R1110 PolarHBondContact OE1-NH2 3.27Å |
| 1083 | A | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.5 | -46.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S934 L937 C1079 M1080 I1114 L1117 | S934-A1083 VanDerWaalsContact CB-O 3.23Å; S934-A1083 WeakPolarHBondContact CB-O 3.49Å; S934-A1083 PolarHBondContact OG-O 3Å; L937-A1083 WeakPolarHBondContact CB-O 3.23Å; L937-A1083 WeakPolarHBondContact CD2-O 3.21Å; C1079-A1083 WeakPolarHBondContact O-CB 3.2Å; C1079-A1083 PolarHBondContact O-N 2.9Å; M1080-A1083 PolarHBondContact O-N 3.27Å; A1083-I1114 HydrophobicContact CB-CG1 4.06Å; A1083-L1117 HydrophobicContact CB-CD1 4.01Å |
| 1084 | I | 91.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.6 | -41.9 | 173.1 | -64.3 | 174.5 | 0 | 0 | 0 | 110.4 | Y933 L937 I1011 V1014 M1080 M1088 L1089 L1117 | Y933-I1084 WeakPolarHBondContact CA-O 3.23Å; Y933-I1084 HydrophobicContact CD1-CG2 4.06Å; Y933-I1084 WeakPolarHBondContact CD1-O 3.26Å; Y933-I1084 HydrophobicContact CE1-CG2 4Å; L937-I1084 HydrophobicContact CD2-CG1 4.24Å; I1011-I1084 HydrophobicContact CB-CD1 4.48Å; I1011-I1084 HydrophobicContact CD1-CD1 4.34Å; I1011-I1084 HydrophobicContact CG2-CD1 4.11Å; V1014-I1084 HydrophobicContact CG2-CD1 4.31Å; M1080-I1084 PolarHBondContact O-N 2.81Å; I1084-M1088 HydrophobicContact CG2-CB 3.94Å; I1084-L1089 HydrophobicContact CB-CD1 4.1Å; I1084-L1089 HydrophobicContact CB-CG 4.36Å; I1084-L1089 HydrophobicContact CD1-CD1 4.47Å; I1084-L1089 HydrophobicContact CD1-CD2 4.22Å; I1084-L1089 HydrophobicContact CG2-CD1 4.02Å; I1084-L1089 HydrophobicContact CG2-CD2 4.01Å; I1084-L1089 HydrophobicContact CG2-CG 3.72Å; I1084-L1117 HydrophobicContact CD1-CD1 4.04Å; I1084-L1117 HydrophobicContact CD1-CD2 3.85Å; I1084-L1117 HydrophobicContact CG1-CD1 3.68Å; I1084-L1117 HydrophobicContact CG1-CD2 4.44Å |
| 1085 | G | 89.8 | Confident | 89.4 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | trans | 84.6 | 138.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1081 K1087 M1088 | V1081-G1085 WeakPolarHBondContact O-CA 3.39Å; V1081-G1085 PolarHBondContact O-N 3.3Å; G1085-K1087 PolarHBondContact O-N 3.38Å; G1085-M1088 PolarHBondContact O-N 3.22Å | ||
| 1086 | L | 86.8 | Confident | 89.2 | Confident | 55 Ų | 55 | 46 Ų | 46 | 29% | 0.288 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -57.2 | -25.2 | -175 | -71 | -179.7 | 0 | 0 | 0 | 115 | V1081 M1088 L1089 N1091 K1093 R1094 | V1081-L1086 HydrophobicContact CG1-CD2 3.53Å; V1081-L1086 HydrophobicContact CG1-CG 4.33Å; L1086-M1088 PolarHBondContact O-N 2.81Å; L1086-L1089 PolarHBondContact O-N 3.03Å; L1086-L1089 VanDerWaalsContact O-O 3.08Å; L1086-N1091 HydrophobicContact CD2-CB 3.86Å; L1086-K1093 WeakPolarHBondContact CD2-O 3.36Å; L1086-R1094 HydrophobicContact CD1-CG 3.52Å; L1086-R1094 HydrophobicContact CD2-CG 4.42Å; L1086-R1094 HydrophobicContact CG-CG 3.98Å |
| 1087 | K | 85.1 | Confident | 89.1 | Confident | 185 Ų | 185 | 47.8 Ų | 47.8 | 80% | 0.804 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -63.5 | -24.6 | -178.2 | -68.9 | -172.4 | 176 | -174 | 0 | 113.5 | G1085 | G1085-K1087 PolarHBondContact O-N 3.38Š|
| 1088 | M | 85.8 | Confident | 88.9 | Confident | 64 Ų | 64 | 49 Ų | 49 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -105.8 | 6.7 | -177.3 | -63.1 | -58 | -70.7 | 0 | 0 | 113.1 | L931 Y933 I1084 G1085 L1086 | L931-M1088 HydrophobicContact CD2-CE 3.59Å; L931-M1088 WeakPolarHBondContact O-CG 3.41Å; Y933-M1088 HydrophobicContact CD1-CB 4.12Å; Y933-M1088 HydrophobicContact CD1-CG 3.8Å; Y933-M1088 HydrophobicContact CE1-CB 3.78Å; Y933-M1088 HydrophobicContact CE1-CE 4.2Å; Y933-M1088 HydrophobicContact CE1-CG 3.71Å; Y933-M1088 HydrophobicContact CE2-CE 4.49Å; Y933-M1088 HydrophobicContact CG-CG 4.46Å; I1084-M1088 HydrophobicContact CG2-CB 3.94Å; G1085-M1088 PolarHBondContact O-N 3.22Å; L1086-M1088 PolarHBondContact O-N 2.81Å |
| 1089 | L | 88 | Confident | 88.6 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -125.4 | 147.4 | -179.2 | -66.8 | 175.8 | 0 | 0 | 0 | 111 | I1011 V1014 V1081 I1084 L1086 N1091 | I1011-L1089 HydrophobicContact CG2-CD2 3.93Å; V1014-L1089 HydrophobicContact CG2-CD1 3.78Å; V1014-L1089 HydrophobicContact CG2-CD2 3.97Å; V1081-L1089 HydrophobicContact CB-CD1 4.37Å; V1081-L1089 HydrophobicContact CG1-CD1 4.34Å; V1081-L1089 HydrophobicContact CG2-CD1 4.01Å; I1084-L1089 HydrophobicContact CB-CD1 4.1Å; I1084-L1089 HydrophobicContact CB-CG 4.36Å; I1084-L1089 HydrophobicContact CD1-CD1 4.47Å; I1084-L1089 HydrophobicContact CD1-CD2 4.22Å; I1084-L1089 HydrophobicContact CG2-CD1 4.02Å; I1084-L1089 HydrophobicContact CG2-CD2 4.01Å; I1084-L1089 HydrophobicContact CG2-CG 3.72Å; L1086-L1089 PolarHBondContact O-N 3.03Å; L1086-L1089 VanDerWaalsContact O-O 3.08Å; L1089-N1091 HydrophobicContact CB-CB 4.03Å; L1089-N1091 PolarHBondContact O-N 3.02Å; L1089-N1091 VanDerWaalsContact O-N 3.08Å |
| 1090 | T | 84.7 | Confident | 88.2 | Confident | 24 Ų | 24 | 52 Ų | 52 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -73.4 | 10.6 | 168.6 | 59.4 | 0 | 0 | 0 | 0 | 113 | F1012 P1044 K1045 H1048 | F1012-T1090 HydrophobicContact CD2-CG2 4.14Å; F1012-T1090 WeakPolarHBondContact O-CB 3.15Å; F1012-T1090 PolarHBondContact O-N 2.82Å; F1012-T1090 PolarHBondContact O-OG1 2.87Å; P1044-T1090 HydrophobicContact CB-CG2 4.42Å; K1045-T1090 VanDerWaalsContact CE-O 3.26Å; K1045-T1090 WeakPolarHBondContact CE-O 3.48Å; K1045-T1090 WeakPolarHBondContact CG-O 3.39Å; K1045-T1090 WeakPolarHBondContact CG-OG1 3.49Å; H1048-T1090 HydrophobicContact CB-CG2 4.48Å |
| 1091 | N | 84.7 | Confident | 88 | Confident | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | trans | -71.7 | 120.2 | 172.2 | -75.2 | 69.7 | 0 | 0 | 0 | 110.5 | Y1013 V1014 L1086 L1089 | Y1013-N1091 WeakPolarHBondContact CD2-OD1 3.49Å; Y1013-N1091 WeakPolarHBondContact CE2-OD1 3.31Å; V1014-N1091 PolarHBondContact N-OD1 2.86Å; V1014-N1091 PolarHBondContact O-ND2 3.01Å; V1014-N1091 PolarHBondContact O-OD1 3.3Å; L1086-N1091 HydrophobicContact CD2-CB 3.86Å; L1089-N1091 HydrophobicContact CB-CB 4.03Å; L1089-N1091 PolarHBondContact O-N 3.02Å; L1089-N1091 VanDerWaalsContact O-N 3.08Å | ||
| 1092 | Q | 80.5 | Confident | 87.8 | Confident | 137 Ų | 137 | 54 Ų | 54 | 64% | 0.64 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -80.3 | -13.7 | 179.6 | -66.7 | 172.9 | -13 | 0 | 0 | 114.3 | ||
| 1093 | K | 84.8 | Confident | 87.8 | Confident | 169 Ų | 169 | 60.1 Ų | 60.1 | 74% | 0.735 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -143.4 | 150.9 | -176.2 | -61.8 | -170.4 | 178.5 | -171.4 | 0 | 109.8 | L1086 | L1086-K1093 WeakPolarHBondContact CD2-O 3.36Š|
| 1094 | R | 85.8 | Confident | 87.8 | Confident | 155 Ų | 155 | 61.3 Ų | 61.3 | 59% | 0.585 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 154.9 | 167.1 | -58.2 | -166.4 | -165.3 | -148.3 | 7.1 | 109.2 | E1082 L1086 | E1082-R1094 VanDerWaalsContact CD-NH1 3.33Å; E1082-R1094 IonicContact OE1-NH1 2.64Å; E1082-R1094 PolarHBondContact OE1-NH1 3.18Å; E1082-R1094 IonicContact OE2-CZ 2.7Å; E1082-R1094 IonicContact OE2-NH1 3.63Å; E1082-R1094 PolarHBondContact OE2-NH1 2.93Å; L1086-R1094 HydrophobicContact CD1-CG 3.52Å; L1086-R1094 HydrophobicContact CD2-CG 4.42Å; L1086-R1094 HydrophobicContact CG-CG 3.98Å |
| 1095 | G | 85.2 | Confident | 87.8 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 153.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1078 | A1078-G1095 WeakPolarHBondContact CB-O 3.48Š|
| 1096 | D | 89.8 | Confident | 87.8 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 128.7 | 174 | -67.2 | -31.1 | 0 | 0 | 0 | 110.4 | R970 Y1098 | R970-D1096 IonicContact CZ-OD2 2.74Å; R970-D1096 IonicContact NH1-OD2 3.45Å; R970-D1096 PolarHBondContact NH1-OD2 2.92Å; R970-D1096 IonicContact NH2-OD2 3.38Å; R970-D1096 PolarHBondContact NH2-OD2 3.39Å; D1096-Y1098 HydrophobicContact CB-CD2 4.49Å; D1096-Y1098 HydrophobicContact CB-CE1 4.43Å; D1096-Y1098 HydrophobicContact CB-CE2 3.64Å; D1096-Y1098 WeakPolarHBondContact CB-OH 3.44Å; D1096-Y1098 PolarHBondContact OD2-OH 3.05Å |
| 1097 | F | 92.3 | Very high | 88 | Confident | 47 Ų | 47 | 74.4 Ų | 74.4 | 21% | 0.206 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 138 | 173.4 | -61.5 | -83.7 | 0 | 0 | 0 | 111.3 | A1078 E1082 V1101 K1109 | A1078-F1097 HydrophobicContact CB-CD1 3.66Å; A1078-F1097 HydrophobicContact CB-CD2 4.33Å; A1078-F1097 HydrophobicContact CB-CE1 3.55Å; A1078-F1097 HydrophobicContact CB-CE2 4.24Å; A1078-F1097 HydrophobicContact CB-CG 4.05Å; A1078-F1097 HydrophobicContact CB-CZ 3.86Å; E1082-F1097 HydrophobicContact CB-CZ 4.18Å; E1082-F1097 HydrophobicContact CG-CZ 4.49Å; F1097-V1101 HydrophobicContact CD1-CG1 4.11Å; F1097-K1109 HydrophobicContact CD1-CD 4.17Å; F1097-K1109 HydrophobicContact CD1-CG 4.35Å; F1097-K1109 HydrophobicContact CE1-CB 4.19Å; F1097-K1109 HydrophobicContact CE1-CD 3.92Å; F1097-K1109 HydrophobicContact CE1-CG 4.01Å; F1097-K1109 HydrophobicContact CE2-CD 4.38Å; F1097-K1109 HydrophobicContact CZ-CD 4.04Å; F1097-K1109 HydrophobicContact CZ-CG 4.5Å |
| 1098 | Y | 90.3 | Very high | 88.3 | Confident | 48 Ų | 48 | 70 Ų | 70 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | trans | -131.7 | 177.6 | 177.5 | -59.4 | -73.7 | 0 | 0 | 0 | 112.6 | R970 V1071 Y1074 T1075 D1096 V1101 S1102 | R970-Y1098 WeakPolarHBondContact CD-OH 3.24Å; R970-Y1098 PolarHBondContact NE-OH 2.67Å; R970-Y1098 PolarHBondContact NH1-OH 2.86Å; V1071-Y1098 HydrophobicContact CB-CD2 4.45Å; V1071-Y1098 HydrophobicContact CG1-CD1 4.32Å; V1071-Y1098 HydrophobicContact CG1-CD2 3.68Å; V1071-Y1098 HydrophobicContact CG1-CG 3.53Å; Y1074-Y1098 HydrophobicContact CD2-CE2 4.17Å; Y1074-Y1098 HydrophobicContact CG-CE2 4.08Å; T1075-Y1098 PolarHBondContact OG1-N 2.91Å; D1096-Y1098 HydrophobicContact CB-CD2 4.49Å; D1096-Y1098 HydrophobicContact CB-CE1 4.43Å; D1096-Y1098 HydrophobicContact CB-CE2 3.64Å; D1096-Y1098 WeakPolarHBondContact CB-OH 3.44Å; D1096-Y1098 PolarHBondContact OD2-OH 3.05Å; Y1098-V1101 PolarHBondContact O-N 3.48Å; Y1098-S1102 PolarHBondContact O-N 2.77Å | ||
| 1099 | G | 87.3 | Confident | 88.7 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | -143.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1101 S1102 | G1099-V1101 VanDerWaalsContact C-N 3.27Å; G1099-S1102 PolarHBondContact O-OG 2.97Å |
| 1100 | V | 87.3 | Confident | 88.9 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -33.5 | 170.9 | -159.5 | 0 | 0 | 0 | 0 | 110.4 | S1102 N1103 W1104 | V1100-S1102 VanDerWaalsContact C-N 3.29Å; V1100-S1102 PolarHBondContact O-N 3.45Å; V1100-N1103 PolarHBondContact O-N 3.18Å; V1100-N1103 VanDerWaalsContact O-N 3.1Å; V1100-W1104 VanDerWaalsContact O-CD1 3.28Å; V1100-W1104 PolarHBondContact O-NE1 3.22Å |
| 1101 | V | 89.8 | Confident | 89.3 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -66.9 | -25.6 | -174 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | L956 T1075 F1097 Y1098 G1099 N1103 W1104 K1109 L1112 | L956-V1101 HydrophobicContact CB-CG2 4.38Å; L956-V1101 HydrophobicContact CD1-CB 4.47Å; L956-V1101 HydrophobicContact CD1-CG2 3.61Å; T1075-V1101 HydrophobicContact CG2-CB 3.77Å; T1075-V1101 HydrophobicContact CG2-CG1 3.86Å; T1075-V1101 HydrophobicContact CG2-CG2 4.23Å; F1097-V1101 HydrophobicContact CD1-CG1 4.11Å; Y1098-V1101 PolarHBondContact O-N 3.48Å; G1099-V1101 VanDerWaalsContact C-N 3.27Å; V1101-N1103 PolarHBondContact O-N 3.08Å; V1101-N1103 VanDerWaalsContact O-N 3.16Å; V1101-W1104 HydrophobicContact CB-CD2 4.4Å; V1101-W1104 HydrophobicContact CB-CE3 4.36Å; V1101-W1104 HydrophobicContact CG1-CD2 4.45Å; V1101-W1104 HydrophobicContact CG1-CE3 4.07Å; V1101-W1104 HydrophobicContact CG2-CD2 4.18Å; V1101-W1104 HydrophobicContact CG2-CE3 3.97Å; V1101-W1104 HydrophobicContact CG2-CH2 3.88Å; V1101-W1104 HydrophobicContact CG2-CZ2 4.09Å; V1101-W1104 HydrophobicContact CG2-CZ3 3.83Å; V1101-W1104 PolarHBondContact O-N 3.36Å; V1101-K1109 HydrophobicContact CG1-CG 4.06Å; V1101-K1109 WeakPolarHBondContact O-CE 3.43Å; V1101-K1109 PolarHBondContact O-NZ 3.03Å; V1101-L1112 HydrophobicContact CG2-CD2 4.48Å |
| 1102 | S | 90.1 | Very high | 89.7 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -53.8 | -37.6 | 172.1 | 55.9 | 0 | 0 | 0 | 0 | 112 | Y1098 G1099 V1100 K1109 | Y1098-S1102 PolarHBondContact O-N 2.77Å; G1099-S1102 PolarHBondContact O-OG 2.97Å; V1100-S1102 VanDerWaalsContact C-N 3.29Å; V1100-S1102 PolarHBondContact O-N 3.45Å; S1102-K1109 PolarHBondContact O-NZ 2.91Å |
| 1103 | N | 91.6 | Very high | 90.4 | Very high | 139 Ų | 139 | 63 Ų | 63 | 74% | 0.743 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -87.9 | -2.3 | -172.7 | -57.9 | 8.7 | 0 | 0 | 0 | 113.3 | V1100 V1101 | V1100-N1103 PolarHBondContact O-N 3.18Å; V1100-N1103 VanDerWaalsContact O-N 3.1Å; V1101-N1103 PolarHBondContact O-N 3.08Å; V1101-N1103 VanDerWaalsContact O-N 3.16Å |
| 1104 | W | 92.2 | Very high | 90.9 | Very high | 24 Ų | 24 | 55 Ų | 55 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -81.5 | 155.9 | -179.3 | -67.5 | 1.4 | 0 | 0 | 0 | 113.1 | D952 V1100 V1101 R1108 K1109 L1112 | D952-W1104 HydrophobicContact CB-CH2 3.62Å; D952-W1104 HydrophobicContact CB-CZ3 3.72Å; D952-W1104 WeakPolarHBondContact O-CH2 3.49Å; V1100-W1104 VanDerWaalsContact O-CD1 3.28Å; V1100-W1104 PolarHBondContact O-NE1 3.22Å; V1101-W1104 HydrophobicContact CB-CD2 4.4Å; V1101-W1104 HydrophobicContact CB-CE3 4.36Å; V1101-W1104 HydrophobicContact CG1-CD2 4.45Å; V1101-W1104 HydrophobicContact CG1-CE3 4.07Å; V1101-W1104 HydrophobicContact CG2-CD2 4.18Å; V1101-W1104 HydrophobicContact CG2-CE3 3.97Å; V1101-W1104 HydrophobicContact CG2-CH2 3.88Å; V1101-W1104 HydrophobicContact CG2-CZ2 4.09Å; V1101-W1104 HydrophobicContact CG2-CZ3 3.83Å; V1101-W1104 PolarHBondContact O-N 3.36Å; W1104-R1108 HydrophobicContact CD2-CG 4.29Å; W1104-R1108 HydrophobicContact CE3-CG 3.75Å; W1104-R1108 HydrophobicContact CZ3-CG 4.22Å; W1104-K1109 HydrophobicContact CB-CG 4.22Å; W1104-K1109 WeakPolarHBondContact O-CE 3.49Å; W1104-K1109 PolarHBondContact O-NZ 3.2Å; W1104-L1112 HydrophobicContact CZ3-CD2 3.9Å |
| 1105 | E | 92.6 | Very high | 91.3 | Very high | 147 Ų | 147 | 48.7 Ų | 48.7 | 69% | 0.687 | 24% | 0.239 | S | C | * | . | trans | -60.1 | 150.9 | 169.7 | -64.9 | -178.9 | -171.1 | 0 | 0 | 112.6 | K1107 R1108 K1109 | E1105-K1107 PolarHBondContact O-N 3.39Å; E1105-R1108 PolarHBondContact O-N 3.27Å; E1105-K1109 WeakPolarHBondContact O-CG 3.35Å; E1105-K1109 PolarHBondContact O-N 3.09Å | ||
| 1106 | L | 89.5 | Confident | 91.7 | Very high | 92 Ų | 92 | 48.1 Ų | 48.1 | 48% | 0.482 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.2 | -31.6 | 177.9 | -68.9 | 173.1 | 0 | 0 | 0 | 113 | K1109 R1110 | L1106-K1109 HydrophobicContact CD2-CD 4.16Å; L1106-R1110 VanDerWaalsContact O-CG 3.31Å; L1106-R1110 WeakPolarHBondContact O-CG 3.43Å; L1106-R1110 PolarHBondContact O-N 2.73Å; L1106-R1110 VanDerWaalsContact O-N 3.1Å |
| 1107 | K | 90.8 | Very high | 92 | Very high | 109 Ų | 109 | 44.7 Ų | 44.7 | 47% | 0.474 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.5 | -55.1 | 175 | -176.9 | -173.6 | 165.8 | -169.6 | 0 | 111 | E1105 K1109 R1110 E1111 | E1105-K1107 PolarHBondContact O-N 3.39Å; K1107-K1109 VanDerWaalsContact C-N 3.31Å; K1107-K1109 PolarHBondContact O-N 2.93Å; K1107-R1110 WeakPolarHBondContact O-CB 3.48Å; K1107-R1110 PolarHBondContact O-N 2.84Å; K1107-E1111 WeakPolarHBondContact CE-OE1 3.34Å; K1107-E1111 IonicContact NZ-OE1 2.69Å; K1107-E1111 WeakPolarHBondContact O-CG 3.5Å; K1107-E1111 PolarHBondContact O-N 3Å |
| 1108 | R | 91.9 | Very high | 92.1 | Very high | 93 Ų | 93 | 44.9 Ų | 44.9 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -40.3 | 177.8 | -168.2 | 179 | -179.8 | -176.6 | 0.6 | 112.4 | D952 W1104 E1105 R1110 E1111 L1112 | D952-R1108 VanDerWaalsContact CG-NE 3.29Å; D952-R1108 IonicContact OD1-CZ 2.77Å; D952-R1108 VanDerWaalsContact OD1-CZ 3.31Å; D952-R1108 IonicContact OD1-NE 2.64Å; D952-R1108 PolarHBondContact OD1-NE 2.97Å; D952-R1108 VanDerWaalsContact OD1-NE 3.13Å; D952-R1108 IonicContact OD1-NH2 2.66Å; D952-R1108 PolarHBondContact OD1-NH2 2.88Å; D952-R1108 WeakPolarHBondContact OD2-CG 3.38Å; D952-R1108 IonicContact OD2-CZ 2.67Å; D952-R1108 IonicContact OD2-NE 3.27Å; D952-R1108 PolarHBondContact OD2-NE 3.01Å; D952-R1108 IonicContact OD2-NH2 3.36Å; W1104-R1108 HydrophobicContact CD2-CG 4.29Å; W1104-R1108 HydrophobicContact CE3-CG 3.75Å; W1104-R1108 HydrophobicContact CZ3-CG 4.22Å; E1105-R1108 PolarHBondContact O-N 3.27Å; R1108-R1110 VanDerWaalsContact C-N 3.32Å; R1108-R1110 PolarHBondContact O-N 3.07Å; R1108-E1111 PolarHBondContact O-N 3.4Å; R1108-L1112 PolarHBondContact O-N 3.45Å |
| 1109 | K | 93.1 | Very high | 92.3 | Very high | 19 Ų | 19 | 44 Ų | 44 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.7 | -39.9 | 172.8 | -76.2 | 164.5 | 170.9 | 157.2 | 0 | 112.9 | C1079 F1097 V1101 S1102 W1104 E1105 L1106 K1107 G1113 | C1079-K1109 PolarHBondContact SG-O 3.11Å; F1097-K1109 HydrophobicContact CD1-CD 4.17Å; F1097-K1109 HydrophobicContact CD1-CG 4.35Å; F1097-K1109 HydrophobicContact CE1-CB 4.19Å; F1097-K1109 HydrophobicContact CE1-CD 3.92Å; F1097-K1109 HydrophobicContact CE1-CG 4.01Å; F1097-K1109 HydrophobicContact CE2-CD 4.38Å; F1097-K1109 HydrophobicContact CZ-CD 4.04Å; F1097-K1109 HydrophobicContact CZ-CG 4.5Å; V1101-K1109 HydrophobicContact CG1-CG 4.06Å; V1101-K1109 WeakPolarHBondContact O-CE 3.43Å; V1101-K1109 PolarHBondContact O-NZ 3.03Å; S1102-K1109 PolarHBondContact O-NZ 2.91Å; W1104-K1109 HydrophobicContact CB-CG 4.22Å; W1104-K1109 WeakPolarHBondContact O-CE 3.49Å; W1104-K1109 PolarHBondContact O-NZ 3.2Å; E1105-K1109 WeakPolarHBondContact O-CG 3.35Å; E1105-K1109 PolarHBondContact O-N 3.09Å; L1106-K1109 HydrophobicContact CD2-CD 4.16Å; K1107-K1109 VanDerWaalsContact C-N 3.31Å; K1107-K1109 PolarHBondContact O-N 2.93Å; K1109-G1113 PolarHBondContact O-N 2.99Å; K1109-G1113 VanDerWaalsContact O-N 3.11Å |
| 1110 | R | 92.7 | Very high | 92.7 | Very high | 47 Ų | 47 | 43.7 Ų | 43.7 | 18% | 0.177 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.6 | -40.6 | 175.9 | -70.8 | 170.3 | -174.6 | 153.5 | 9 | 112.4 | D936 E1082 L1106 K1107 R1108 L1112 G1113 I1114 | D936-R1110 HydrophobicContact CB-CB 4.42Å; D936-R1110 WeakPolarHBondContact OD2-CD 3.44Å; D936-R1110 IonicContact OD2-NH1 2.67Å; E1082-R1110 HydrophobicContact CG-CG 3.83Å; E1082-R1110 IonicContact OE1-CZ 3.63Å; E1082-R1110 IonicContact OE1-NE 2.79Å; E1082-R1110 PolarHBondContact OE1-NE 3Å; E1082-R1110 IonicContact OE1-NH2 2.82Å; E1082-R1110 PolarHBondContact OE1-NH2 3.27Å; L1106-R1110 VanDerWaalsContact O-CG 3.31Å; L1106-R1110 WeakPolarHBondContact O-CG 3.43Å; L1106-R1110 PolarHBondContact O-N 2.73Å; L1106-R1110 VanDerWaalsContact O-N 3.1Å; K1107-R1110 WeakPolarHBondContact O-CB 3.48Å; K1107-R1110 PolarHBondContact O-N 2.84Å; R1108-R1110 VanDerWaalsContact C-N 3.32Å; R1108-R1110 PolarHBondContact O-N 3.07Å; R1110-L1112 PolarHBondContact O-N 2.86Å; R1110-G1113 CarbonylContact O-C 3.55Å; R1110-G1113 WeakPolarHBondContact O-CA 3.14Å; R1110-G1113 PolarHBondContact O-N 3.08Å; R1110-I1114 VanDerWaalsContact O-CG1 3.3Å; R1110-I1114 WeakPolarHBondContact O-CG1 3.03Å; R1110-I1114 PolarHBondContact O-N 3.26Å |
| 1111 | E | 93.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 41 Ų | 41 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 178.5 | -72.8 | 169.6 | 155.3 | 0 | 0 | 111 | R939 P947 S949 K1107 R1108 G1113 I1114 H1115 | R939-E1111 IonicContact NH2-OE1 3.98Å; P947-E1111 HydrophobicContact CB-CB 3.89Å; P947-E1111 HydrophobicContact CB-CG 4.11Å; P947-E1111 HydrophobicContact CG-CB 4.02Å; P947-E1111 HydrophobicContact CG-CG 4.33Å; P947-E1111 WeakPolarHBondContact CG-O 3.41Å; S949-E1111 PolarHBondContact OG-O 3.09Å; K1107-E1111 WeakPolarHBondContact CE-OE1 3.34Å; K1107-E1111 IonicContact NZ-OE1 2.69Å; K1107-E1111 WeakPolarHBondContact O-CG 3.5Å; K1107-E1111 PolarHBondContact O-N 3Å; R1108-E1111 PolarHBondContact O-N 3.4Å; E1111-G1113 PolarHBondContact O-N 3.27Å; E1111-I1114 PolarHBondContact O-N 3.23Å; E1111-H1115 PolarHBondContact O-N 3.36Å |
| 1112 | L | 93.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 167.7 | 176.6 | 60.5 | 0 | 0 | 0 | 112.3 | S949 D952 E953 V1101 W1104 R1108 R1110 I1114 H1115 L1116 | S949-L1112 PolarHBondContact OG-N 3.43Å; D952-L1112 HydrophobicContact CB-CD1 4.36Å; E953-L1112 HydrophobicContact CB-CD1 3.84Å; V1101-L1112 HydrophobicContact CG2-CD2 4.48Å; W1104-L1112 HydrophobicContact CZ3-CD2 3.9Å; R1108-L1112 PolarHBondContact O-N 3.45Å; R1110-L1112 PolarHBondContact O-N 2.86Å; L1112-I1114 PolarHBondContact O-N 2.93Å; L1112-H1115 PolarHBondContact O-N 2.93Å; L1112-L1116 HydrophobicContact CD1-CD1 4.28Å; L1112-L1116 HydrophobicContact CD1-CG 4.18Å; L1112-L1116 HydrophobicContact CG-CD1 4.1Å; L1112-L1116 HydrophobicContact CG-CG 4.46Å; L1112-L1116 VanDerWaalsContact O-CG 3.32Å; L1112-L1116 WeakPolarHBondContact O-CG 3.4Å; L1112-L1116 PolarHBondContact O-N 3.25Å |
| 1113 | G | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C1079 K1109 R1110 E1111 L1116 L1117 | C1079-G1113 WeakPolarHBondContact O-CA 3.46Å; K1109-G1113 PolarHBondContact O-N 2.99Å; K1109-G1113 VanDerWaalsContact O-N 3.11Å; R1110-G1113 CarbonylContact O-C 3.55Å; R1110-G1113 WeakPolarHBondContact O-CA 3.14Å; R1110-G1113 PolarHBondContact O-N 3.08Å; E1111-G1113 PolarHBondContact O-N 3.27Å; G1113-L1116 PolarHBondContact O-N 2.94Å; G1113-L1117 WeakPolarHBondContact O-CD1 3.23Å; G1113-L1117 VanDerWaalsContact O-CG 3.23Å; G1113-L1117 WeakPolarHBondContact O-CG 3.14Å; G1113-L1117 PolarHBondContact O-N 3.07Å |
| 1114 | I | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 175.9 | -64.3 | 162.2 | 0 | 0 | 0 | 110.4 | D936 L937 V940 L946 P947 F1004 A1083 R1110 E1111 L1112 L1117 Y1118 | D936-I1114 HydrophobicContact CB-CD1 3.95Å; L937-I1114 HydrophobicContact CB-CD1 4.28Å; L937-I1114 HydrophobicContact CB-CG1 4.32Å; L937-I1114 HydrophobicContact CD1-CG1 4.23Å; V940-I1114 HydrophobicContact CB-CG2 4.32Å; V940-I1114 HydrophobicContact CG1-CG2 3.98Å; V940-I1114 HydrophobicContact CG2-CD1 4.21Å; V940-I1114 HydrophobicContact CG2-CG2 4.21Å; L946-I1114 HydrophobicContact CD2-CG2 4.42Å; P947-I1114 HydrophobicContact CG-CB 4.17Å; P947-I1114 HydrophobicContact CG-CG2 4.18Å; F1004-I1114 HydrophobicContact CZ-CG2 4.35Å; A1083-I1114 HydrophobicContact CB-CG1 4.06Å; R1110-I1114 VanDerWaalsContact O-CG1 3.3Å; R1110-I1114 WeakPolarHBondContact O-CG1 3.03Å; R1110-I1114 PolarHBondContact O-N 3.26Å; E1111-I1114 PolarHBondContact O-N 3.23Å; L1112-I1114 PolarHBondContact O-N 2.93Å; I1114-L1117 PolarHBondContact O-N 2.84Å; I1114-Y1118 PolarHBondContact O-N 3.18Å |
| 1115 | H | 94.3 | Very high | 93.8 | Very high | 24 Ų | 24 | 39.7 Ų | 39.7 | 11% | 0.111 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 175.4 | -173.6 | 85.4 | 0 | 0 | 0 | 112 | E953 E1111 L1112 L1117 Y1118 R1119 | E953-H1115 IonicContact OE2-CD2 3.28Å; E1111-H1115 PolarHBondContact O-N 3.36Å; L1112-H1115 PolarHBondContact O-N 2.93Å; H1115-L1117 VanDerWaalsContact C-N 3.34Å; H1115-L1117 PolarHBondContact O-N 3.09Å; H1115-Y1118 PolarHBondContact O-N 3.32Å; H1115-R1119 PolarHBondContact O-N 3.1Å |
| 1116 | L | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 175.6 | -68.9 | 170.2 | 0 | 0 | 0 | 112.2 | F1065 R1076 C1079 M1080 L1112 G1113 R1119 A1120 | F1065-L1116 HydrophobicContact CD1-CD2 4.45Å; F1065-L1116 HydrophobicContact CE1-CD2 3.77Å; F1065-L1116 HydrophobicContact CE2-CB 4.22Å; F1065-L1116 HydrophobicContact CE2-CD2 4.05Å; F1065-L1116 HydrophobicContact CZ-CB 4.03Å; F1065-L1116 HydrophobicContact CZ-CD2 3.55Å; F1065-L1116 HydrophobicContact CZ-CG 4.4Å; F1065-L1116 WeakPolarHBondContact CZ-O 3.13Å; R1076-L1116 HydrophobicContact CB-CD1 4.13Å; R1076-L1116 HydrophobicContact CG-CD1 3.85Å; R1076-L1116 HydrophobicContact CG-CD2 4.36Å; C1079-L1116 HydrophobicContact CB-CD1 4.25Å; M1080-L1116 HydrophobicContact CG-CB 4.01Å; M1080-L1116 HydrophobicContact SD-CB 4.26Å; L1112-L1116 HydrophobicContact CD1-CD1 4.28Å; L1112-L1116 HydrophobicContact CD1-CG 4.18Å; L1112-L1116 HydrophobicContact CG-CD1 4.1Å; L1112-L1116 HydrophobicContact CG-CG 4.46Å; L1112-L1116 VanDerWaalsContact O-CG 3.32Å; L1112-L1116 WeakPolarHBondContact O-CG 3.4Å; L1112-L1116 PolarHBondContact O-N 3.25Å; G1113-L1116 PolarHBondContact O-N 2.94Å; L1116-R1119 PolarHBondContact O-N 3.03Å; L1116-A1120 WeakPolarHBondContact O-CB 3.49Å; L1116-A1120 PolarHBondContact O-N 2.75Å |
| 1117 | L | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.1 | -39.3 | 176 | -71.6 | 162.6 | 0 | 0 | 0 | 112.4 | F1004 F1007 I1008 I1011 M1080 A1083 I1084 G1113 I1114 H1115 A1120 M1121 | F1004-L1117 HydrophobicContact CE2-CB 4.32Å; F1004-L1117 HydrophobicContact CZ-CB 4.49Å; F1007-L1117 WeakPolarHBondContact CE1-O 3.26Å; I1008-L1117 HydrophobicContact CD1-CB 3.99Å; I1008-L1117 HydrophobicContact CD1-CD1 3.99Å; I1008-L1117 HydrophobicContact CD1-CD2 4.3Å; I1008-L1117 HydrophobicContact CD1-CG 4.31Å; I1011-L1117 HydrophobicContact CD1-CD2 3.99Å; M1080-L1117 HydrophobicContact CB-CD2 4.2Å; M1080-L1117 HydrophobicContact CB-CG 4.31Å; M1080-L1117 HydrophobicContact CG-CD2 4.12Å; M1080-L1117 HydrophobicContact CG-CG 4.03Å; M1080-L1117 HydrophobicContact SD-CD2 4.11Å; M1080-L1117 HydrophobicContact SD-CG 4.46Å; A1083-L1117 HydrophobicContact CB-CD1 4.01Å; I1084-L1117 HydrophobicContact CD1-CD1 4.04Å; I1084-L1117 HydrophobicContact CD1-CD2 3.85Å; I1084-L1117 HydrophobicContact CG1-CD1 3.68Å; I1084-L1117 HydrophobicContact CG1-CD2 4.44Å; G1113-L1117 WeakPolarHBondContact O-CD1 3.23Å; G1113-L1117 VanDerWaalsContact O-CG 3.23Å; G1113-L1117 WeakPolarHBondContact O-CG 3.14Å; G1113-L1117 PolarHBondContact O-N 3.07Å; I1114-L1117 PolarHBondContact O-N 2.84Å; H1115-L1117 VanDerWaalsContact C-N 3.34Å; H1115-L1117 PolarHBondContact O-N 3.09Å; L1117-A1120 PolarHBondContact O-N 3.25Å; L1117-M1121 PolarHBondContact O-N 3.5Å |
| 1118 | Y | 94.7 | Very high | 93.9 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 173.7 | 179.3 | -103.9 | 0 | 0 | 0 | 111.5 | F944 L946 F1004 I1114 H1115 A1120 M1121 Q1122 | F944-Y1118 HydrophobicContact CE2-CE2 4.39Å; F944-Y1118 AromaticContact CZ-CE2 3.93Å; F944-Y1118 HydrophobicContact CZ-CE2 3.93Å; L946-Y1118 HydrophobicContact CD1-CD1 3.78Å; L946-Y1118 HydrophobicContact CD1-CD2 3.63Å; L946-Y1118 HydrophobicContact CD1-CE1 3.73Å; L946-Y1118 HydrophobicContact CD1-CE2 3.6Å; L946-Y1118 HydrophobicContact CD1-CG 3.72Å; L946-Y1118 HydrophobicContact CD2-CD1 4.5Å; L946-Y1118 HydrophobicContact CD2-CD2 3.87Å; L946-Y1118 HydrophobicContact CD2-CG 3.8Å; L946-Y1118 HydrophobicContact CG-CD2 4.41Å; L946-Y1118 HydrophobicContact CG-CG 4.44Å; F1004-Y1118 HydrophobicContact CD2-CD2 4.1Å; F1004-Y1118 HydrophobicContact CE2-CD2 4.43Å; I1114-Y1118 PolarHBondContact O-N 3.18Å; H1115-Y1118 PolarHBondContact O-N 3.32Å; Y1118-A1120 VanDerWaalsContact C-N 3.31Å; Y1118-A1120 PolarHBondContact O-N 3.2Å; Y1118-M1121 HydrophobicContact CD2-CE 3.87Å; Y1118-M1121 HydrophobicContact CE2-CE 3.51Å; Y1118-M1121 WeakPolarHBondContact O-CB 3.45Å; Y1118-M1121 PolarHBondContact O-N 2.81Å; Y1118-M1121 VanDerWaalsContact O-N 3.16Å; Y1118-Q1122 HydrophobicContact CE1-CG 4.13Å; Y1118-Q1122 WeakPolarHBondContact O-CG 3.3Å; Y1118-Q1122 PolarHBondContact O-N 2.85Å |
| 1119 | R | 94.5 | Very high | 93.9 | Very high | 29 Ų | 29 | 29.6 Ų | 29.6 | 11% | 0.109 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.8 | -36 | 172.6 | -73 | -169 | 59.9 | -136 | -16.9 | 112.7 | F525 E953 F1065 H1115 L1116 Q1122 I1123 | F525-R1119 VanDerWaalsContact CZ-CZ 3.44Å; E953-R1119 IonicContact OE1-NH1 2.93Å; E953-R1119 PolarHBondContact OE1-NH1 2.79Å; E953-R1119 IonicContact OE2-CZ 2.85Å; E953-R1119 IonicContact OE2-NH1 2.92Å; E953-R1119 PolarHBondContact OE2-NH1 3.44Å; F1065-R1119 HydrophobicContact CE1-CB 4.44Å; F1065-R1119 HydrophobicContact CZ-CB 4.29Å; H1115-R1119 PolarHBondContact O-N 3.1Å; L1116-R1119 PolarHBondContact O-N 3.03Å; R1119-Q1122 PolarHBondContact O-N 3.06Å; R1119-I1123 WeakPolarHBondContact O-CG1 3.26Å; R1119-I1123 PolarHBondContact O-N 3.17Å |
| 1120 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.4 | -35.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L981 F1007 C1064 L1116 L1117 Y1118 I1123 F1124 | L981-A1120 HydrophobicContact CD1-CB 3.7Å; F1007-A1120 HydrophobicContact CE1-CB 4.24Å; F1007-A1120 HydrophobicContact CZ-CB 3.97Å; C1064-A1120 HydrophobicContact CB-CB 4.49Å; L1116-A1120 WeakPolarHBondContact O-CB 3.49Å; L1116-A1120 PolarHBondContact O-N 2.75Å; L1117-A1120 PolarHBondContact O-N 3.25Å; Y1118-A1120 VanDerWaalsContact C-N 3.31Å; Y1118-A1120 PolarHBondContact O-N 3.2Å; A1120-I1123 PolarHBondContact O-N 3.29Å; A1120-F1124 PolarHBondContact O-N 2.88Å |
| 1121 | M | 95.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 170.7 | -173.4 | -161.4 | 69.8 | 0 | 0 | 111.2 | C1003 F1004 F1007 L1117 Y1118 I1123 F1124 L1125 | C1003-M1121 HydrophobicContact CB-SD 4.12Å; F1004-M1121 WeakPolarHBondContact CA-SD 3.23Å; F1004-M1121 HydrophobicContact CB-SD 3.74Å; F1004-M1121 HydrophobicContact CD2-CB 4.42Å; F1004-M1121 HydrophobicContact CD2-SD 3.98Å; F1004-M1121 HydrophobicContact CG-SD 4.38Å; F1004-M1121 PolarHBondContact N-SD 3.37Å; F1007-M1121 HydrophobicContact CB-CB 4.47Å; F1007-M1121 HydrophobicContact CB-CG 3.95Å; F1007-M1121 HydrophobicContact CD1-CB 3.59Å; F1007-M1121 HydrophobicContact CD1-CG 4.04Å; F1007-M1121 HydrophobicContact CD2-CB 4.27Å; F1007-M1121 HydrophobicContact CD2-CG 4.19Å; F1007-M1121 HydrophobicContact CE1-CB 3.74Å; F1007-M1121 HydrophobicContact CE2-CB 4.4Å; F1007-M1121 HydrophobicContact CG-CB 3.87Å; F1007-M1121 HydrophobicContact CG-CG 3.81Å; F1007-M1121 HydrophobicContact CZ-CB 4.16Å; L1117-M1121 PolarHBondContact O-N 3.5Å; Y1118-M1121 HydrophobicContact CD2-CE 3.87Å; Y1118-M1121 HydrophobicContact CE2-CE 3.51Å; Y1118-M1121 WeakPolarHBondContact O-CB 3.45Å; Y1118-M1121 PolarHBondContact O-N 2.81Å; Y1118-M1121 VanDerWaalsContact O-N 3.16Å; M1121-I1123 VanDerWaalsContact C-N 3.29Å; M1121-I1123 PolarHBondContact O-N 3.24Å; M1121-F1124 WeakPolarHBondContact O-CB 2.95Å; M1121-F1124 PolarHBondContact O-N 3.2Å; M1121-F1124 VanDerWaalsContact O-N 3.13Å; M1121-L1125 HydrophobicContact CE-CD1 3.97Å; M1121-L1125 HydrophobicContact CG-CD1 4.19Å; M1121-L1125 HydrophobicContact CG-CG 4.35Å; M1121-L1125 WeakPolarHBondContact O-CG 3.17Å; M1121-L1125 PolarHBondContact O-N 2.89Å; M1121-L1125 HydrophobicContact SD-CD1 4.37Å |
| 1122 | Q | 94.6 | Very high | 93.7 | Very high | 89 Ų | 89 | 35.7 Ų | 35.7 | 42% | 0.416 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 177.8 | -67.1 | 177.9 | -56.8 | 0 | 0 | 112 | Y1118 R1119 A1126 | Y1118-Q1122 HydrophobicContact CE1-CG 4.13Å; Y1118-Q1122 WeakPolarHBondContact O-CG 3.3Å; Y1118-Q1122 PolarHBondContact O-N 2.85Å; R1119-Q1122 PolarHBondContact O-N 3.06Å; Q1122-A1126 WeakPolarHBondContact O-CB 3.47Å; Q1122-A1126 PolarHBondContact O-N 3.47Å |
| 1123 | I | 94.9 | Very high | 93.6 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 20% | 0.195 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -47.5 | 172.7 | -64.4 | 165.3 | 0 | 0 | 0 | 110.4 | L1062 C1064 R1119 A1120 M1121 L1125 A1126 E1127 | L1062-I1123 HydrophobicContact CD1-CG2 4.1Å; C1064-I1123 HydrophobicContact CB-CD1 4.03Å; R1119-I1123 WeakPolarHBondContact O-CG1 3.26Å; R1119-I1123 PolarHBondContact O-N 3.17Å; A1120-I1123 PolarHBondContact O-N 3.29Å; M1121-I1123 VanDerWaalsContact C-N 3.29Å; M1121-I1123 PolarHBondContact O-N 3.24Å; I1123-L1125 PolarHBondContact O-N 2.88Å; I1123-A1126 PolarHBondContact O-N 3.46Å; I1123-A1126 VanDerWaalsContact O-N 3.08Å; I1123-E1127 HydrophobicContact CG2-CG 3.96Å; I1123-E1127 WeakPolarHBondContact O-CB 3.21Å; I1123-E1127 PolarHBondContact O-N 3.11Å |
| 1124 | F | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 179.2 | -179.8 | -129.5 | 0 | 0 | 0 | 113.7 | L983 T988 L991 P992 F1007 I1060 L1062 A1120 M1121 A1126 G1128 E1129 | L983-F1124 HydrophobicContact CD2-CE1 4.35Å; T988-F1124 HydrophobicContact CG2-CE1 3.98Å; T988-F1124 HydrophobicContact CG2-CZ 4.02Å; L991-F1124 HydrophobicContact CB-CE1 4.06Å; L991-F1124 HydrophobicContact CD2-CE1 4.25Å; P992-F1124 HydrophobicContact CG-CD1 4.35Å; P992-F1124 HydrophobicContact CG-CD2 4.49Å; P992-F1124 HydrophobicContact CG-CE1 4.11Å; P992-F1124 HydrophobicContact CG-CE2 4.23Å; P992-F1124 HydrophobicContact CG-CZ 4.04Å; P992-F1124 WeakPolarHBondContact CG-O 3.36Å; F1007-F1124 HydrophobicContact CD2-CB 4.33Å; F1007-F1124 AromaticContact CD2-CD1 3.56Å; F1007-F1124 HydrophobicContact CD2-CD1 3.56Å; F1007-F1124 HydrophobicContact CD2-CE1 4.21Å; F1007-F1124 HydrophobicContact CD2-CG 4.23Å; F1007-F1124 HydrophobicContact CE2-CB 3.74Å; F1007-F1124 AromaticContact CE2-CD1 3.75Å; F1007-F1124 HydrophobicContact CE2-CD1 3.75Å; F1007-F1124 AromaticContact CE2-CG 3.94Å; F1007-F1124 HydrophobicContact CE2-CG 3.94Å; I1060-F1124 HydrophobicContact CD1-CZ 4.38Å; I1060-F1124 HydrophobicContact CG2-CE2 3.95Å; L1062-F1124 HydrophobicContact CD1-CB 4.07Å; L1062-F1124 HydrophobicContact CD1-CD2 4.35Å; L1062-F1124 HydrophobicContact CD2-CB 3.79Å; L1062-F1124 HydrophobicContact CD2-CD2 4.45Å; L1062-F1124 HydrophobicContact CD2-CG 4.32Å; A1120-F1124 PolarHBondContact O-N 2.88Å; M1121-F1124 WeakPolarHBondContact O-CB 2.95Å; M1121-F1124 PolarHBondContact O-N 3.2Å; M1121-F1124 VanDerWaalsContact O-N 3.13Å; F1124-A1126 VanDerWaalsContact C-N 3.26Å; F1124-A1126 PolarHBondContact O-N 3.15Å; F1124-G1128 PolarHBondContact O-N 3.41Å; F1124-E1129 HydrophobicContact CE2-CB 4.21Å; F1124-E1129 HydrophobicContact CE2-CG 4.31Å; F1124-E1129 HydrophobicContact CZ-CB 4.23Å; F1124-E1129 HydrophobicContact CZ-CG 4.2Å |
| 1125 | L | 93.8 | Very high | 92.8 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.6 | -28.2 | 176.2 | -66.4 | 177.3 | 0 | 0 | 0 | 112.4 | L991 P992 M1121 I1123 | L991-L1125 HydrophobicContact CG-CD2 4.37Å; P992-L1125 HydrophobicContact CB-CD2 4.38Å; P992-L1125 HydrophobicContact CG-CD2 4.39Å; M1121-L1125 HydrophobicContact CE-CD1 3.97Å; M1121-L1125 HydrophobicContact CG-CD1 4.19Å; M1121-L1125 HydrophobicContact CG-CG 4.35Å; M1121-L1125 WeakPolarHBondContact O-CG 3.17Å; M1121-L1125 PolarHBondContact O-N 2.89Å; M1121-L1125 HydrophobicContact SD-CD1 4.37Å; I1123-L1125 PolarHBondContact O-N 2.88Å |
| 1126 | A | 92.7 | Very high | 92.4 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -91.1 | -31.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T527 Q1122 I1123 F1124 | T527-A1126 HydrophobicContact CG2-CB 3.9Å; Q1122-A1126 WeakPolarHBondContact O-CB 3.47Å; Q1122-A1126 PolarHBondContact O-N 3.47Å; I1123-A1126 PolarHBondContact O-N 3.46Å; I1123-A1126 VanDerWaalsContact O-N 3.08Å; F1124-A1126 VanDerWaalsContact C-N 3.26Å; F1124-A1126 PolarHBondContact O-N 3.15Å |
| 1127 | E | 91.9 | Very high | 91.9 | Very high | 100 Ų | 100 | 51 Ų | 51 | 47% | 0.467 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -81.2 | -25.9 | 174.9 | -69.6 | -173.1 | 164.3 | 0 | 0 | 112.6 | I1123 | I1123-E1127 HydrophobicContact CG2-CG 3.96Å; I1123-E1127 WeakPolarHBondContact O-CB 3.21Å; I1123-E1127 PolarHBondContact O-N 3.11Å |
| 1128 | G | 90.4 | Very high | 90.5 | Very high | 27 Ų | 27 | 61.4 Ų | 61.4 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | trans | 84.8 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | F1124 R1130 | F1124-G1128 PolarHBondContact O-N 3.41Å; G1128-R1130 PolarHBondContact O-N 2.98Å | ||
| 1129 | E | 91.1 | Very high | 88.6 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | trans | -91.9 | 100 | -179.6 | -169.6 | 176.1 | 114.4 | 0 | 0 | 111.4 | T988 N990 P992 I1060 F1124 Q1131 | T988-E1129 VanDerWaalsContact CB-OE2 3.24Å; T988-E1129 WeakPolarHBondContact CB-OE2 3.33Å; T988-E1129 PolarHBondContact OG1-OE2 3.48Å; N990-E1129 WeakPolarHBondContact CA-OE2 3.23Å; N990-E1129 PolarHBondContact N-OE1 3.31Å; N990-E1129 PolarHBondContact N-OE2 3.35Å; P992-E1129 HydrophobicContact CG-CB 4.32Å; I1060-E1129 HydrophobicContact CD1-CG 3.56Å; I1060-E1129 HydrophobicContact CG1-CG 3.83Å; F1124-E1129 HydrophobicContact CE2-CB 4.21Å; F1124-E1129 HydrophobicContact CE2-CG 4.31Å; F1124-E1129 HydrophobicContact CZ-CB 4.23Å; F1124-E1129 HydrophobicContact CZ-CG 4.2Å; E1129-Q1131 HydrophobicContact CG-CG 4.37Å; E1129-Q1131 PolarHBondContact OE1-NE2 3.08Å | ||
| 1130 | R | 91.5 | Very high | 88.3 | Confident | 176 Ų | 176 | 69.1 Ų | 69.1 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | trans | -99.4 | 113.5 | 168.2 | -171.7 | 177.6 | 178.5 | -160.5 | -2.8 | 110.7 | G1128 | G1128-R1130 PolarHBondContact O-N 2.98Š| ||
| 1131 | Q | 93.1 | Very high | 87.9 | Confident | 48 Ų | 48 | 72.7 Ų | 72.7 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 143.7 | 174.2 | -65.7 | -171.4 | 12.5 | 0 | 0 | 111 | P985 G1058 I1060 E1129 | P985-Q1131 HydrophobicContact CB-CG 4.24Å; G1058-Q1131 VanDerWaalsContact N-OE1 3.1Å; G1058-Q1131 VanDerWaalsContact O-CB 3.24Å; G1058-Q1131 WeakPolarHBondContact O-CB 3.28Å; G1058-Q1131 VanDerWaalsContact O-CG 3.3Å; G1058-Q1131 WeakPolarHBondContact O-CG 3.46Å; I1060-Q1131 HydrophobicContact CG1-CG 4.19Å; E1129-Q1131 HydrophobicContact CG-CG 4.37Å; E1129-Q1131 PolarHBondContact OE1-NE2 3.08Å |
| 1132 | L | 91.4 | Very high | 87.5 | Confident | 10 Ų | 10 | 76.4 Ų | 76.4 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 106.8 | 174.6 | -59.9 | 171.4 | 0 | 0 | 0 | 110 | Y1023 L1026 W1053 G1058 V1059 | Y1023-L1132 HydrophobicContact CD1-CD1 4.31Å; Y1023-L1132 HydrophobicContact CE1-CD1 3.78Å; L1026-L1132 HydrophobicContact CD1-CB 4.32Å; L1026-L1132 HydrophobicContact CD1-CD1 3.58Å; W1053-L1132 PolarHBondContact NE1-O 3.08Å; G1058-L1132 CarbonylContact C-O 3.59Å; G1058-L1132 WeakPolarHBondContact CA-O 3.31Å; V1059-L1132 PolarHBondContact N-O 3.25Å; V1059-L1132 WeakPolarHBondContact O-CB 3.47Å; V1059-L1132 PolarHBondContact O-N 3.38Å |
| 1133 | R | 90.9 | Very high | 87.1 | Confident | 130 Ų | 130 | 75.7 Ų | 75.7 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | trans | -92.4 | 163.2 | 178.1 | -56.8 | 175.1 | 173.2 | -164.6 | -4.7 | 110.3 | A1135 D1136 I1137 | R1133-A1135 PolarHBondContact O-N 2.64Å; R1133-A1135 VanDerWaalsContact O-N 3.1Å; R1133-D1136 WeakPolarHBondContact CA-OD2 3.5Å; R1133-D1136 WeakPolarHBondContact CB-OD2 3.23Å; R1133-D1136 WeakPolarHBondContact CG-OD2 3.46Å; R1133-D1136 PolarHBondContact N-OD2 3.35Å; R1133-D1136 PolarHBondContact O-N 3.07Å; R1133-I1137 WeakPolarHBondContact O-CD1 3.49Å; R1133-I1137 WeakPolarHBondContact O-CG1 3.37Å | ||
| 1134 | P | 87.9 | Confident | 86.6 | Confident | 26 Ų | 26 | 78.1 Ų | 78.1 | 17% | 0.169 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -50.6 | -34.8 | 175 | -30.4 | 36.9 | 0 | 0 | 0 | 114.6 | L1030 Y1033 W1053 | L1030-P1134 HydrophobicContact CD1-CB 3.78Å; Y1033-P1134 HydrophobicContact CD1-CB 3.8Å; Y1033-P1134 HydrophobicContact CD1-CG 3.81Å; Y1033-P1134 HydrophobicContact CD2-CG 4.4Å; Y1033-P1134 HydrophobicContact CE1-CB 3.75Å; Y1033-P1134 HydrophobicContact CE1-CG 3.66Å; Y1033-P1134 HydrophobicContact CE2-CG 4.27Å; Y1033-P1134 HydrophobicContact CG-CG 4.19Å; W1053-P1134 HydrophobicContact CB-CG 4.28Å; W1053-P1134 HydrophobicContact CD2-CG 3.65Å; W1053-P1134 HydrophobicContact CE3-CG 3.74Å; W1053-P1134 HydrophobicContact CG-CG 3.92Å; W1053-P1134 HydrophobicContact CZ3-CG 4.2Å |
| 1135 | A | 85.1 | Confident | 86 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 74% | 0.744 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -77.6 | -21 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1133 I1137 | R1133-A1135 PolarHBondContact O-N 2.64Å; R1133-A1135 VanDerWaalsContact O-N 3.1Å; A1135-I1137 VanDerWaalsContact C-N 3.27Å |
| 1136 | D | 85.8 | Confident | 85.5 | Confident | 89 Ų | 89 | 85.5 Ų | 85.5 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -79.5 | -15.7 | 177 | -56.1 | -50.4 | 0 | 0 | 0 | 111.8 | R1133 R1138 | R1133-D1136 WeakPolarHBondContact CA-OD2 3.5Å; R1133-D1136 WeakPolarHBondContact CB-OD2 3.23Å; R1133-D1136 WeakPolarHBondContact CG-OD2 3.46Å; R1133-D1136 PolarHBondContact N-OD2 3.35Å; R1133-D1136 PolarHBondContact O-N 3.07Å; D1136-R1138 PolarHBondContact O-N 2.83Å |
| 1137 | I | 83.9 | Confident | 84.9 | Confident | 11 Ų | 11 | 87 Ų | 87 | 6% | 0.056 | 42% | 0.416 | C | S | . | . | trans | -95.1 | 83.3 | -174.3 | -59.9 | 159.1 | 0 | 0 | 0 | 108.3 | L1026 Y1027 L1030 W1053 R1133 A1135 | L1026-I1137 HydrophobicContact CB-CD1 3.91Å; Y1027-I1137 HydrophobicContact CD1-CG2 3.47Å; Y1027-I1137 VanDerWaalsContact CD1-CG2 3.47Å; Y1027-I1137 HydrophobicContact CE1-CG2 3.34Å; L1030-I1137 HydrophobicContact CD2-CB 4.3Å; L1030-I1137 HydrophobicContact CD2-CG2 3.92Å; W1053-I1137 HydrophobicContact CH2-CD1 3.78Å; W1053-I1137 HydrophobicContact CZ2-CD1 3.41Å; W1053-I1137 VanDerWaalsContact CZ2-CD1 3.41Å; R1133-I1137 WeakPolarHBondContact O-CD1 3.49Å; R1133-I1137 WeakPolarHBondContact O-CG1 3.37Å; A1135-I1137 VanDerWaalsContact C-N 3.27Å | ||
| 1138 | R | 66.3 | Low | 84.3 | Confident | 219 Ų | 219 | 85.9 Ų | 85.9 | 83% | 0.826 | 41% | 0.412 | S | S | * | . | trans | -74.7 | 138.3 | 165.7 | -61 | -174.5 | -179.5 | -165 | -2 | 108.9 | D1136 | D1136-R1138 PolarHBondContact O-N 2.83Š| ||
| 1139 | Q | 54.6 | Low | 83.8 | Confident | 170 Ų | 170 | 91.3 Ų | 91.3 | 79% | 0.794 | 42% | 0.424 | S | S | * | . | trans | -80.4 | 0 | 174.8 | -73.2 | 169.7 | -56.3 | 0 | 0 | 110.3 | Y1027 | Y1027-Q1139 HydrophobicContact CD1-CG 4.39Å; Y1027-Q1139 HydrophobicContact CE1-CG 4.48Å |
Retrieved 1,139 of 1,139 residues in 138.9 ms
(Link to these results)