| 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 | 38.7 | Very low | 67.3 | Low | 187 Ų | 187 | 90.9 Ų | 90.9 | 92% | 0.921 | 54% | 0.541 | S | S | * | . | 0 | 121.3 | 0 | -71.9 | -174.8 | -157.1 | 0 | 0 | 105.6 | S3 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.76Å | |||
| 2 | D | 42.4 | Very low | 69.3 | Low | 178 Ų | 178 | 87.3 Ų | 87.3 | 95% | 0.952 | 52% | 0.524 | S | S | * | . | trans | -69.8 | 91.3 | 178 | -62.1 | -38.7 | 0 | 0 | 0 | 108.6 | ||||
| 3 | S | 50.1 | Low | 71.1 | Confident | 41 Ų | 41 | 80.6 Ų | 80.6 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | trans | -71.9 | 133.9 | 171.7 | 58.1 | 0 | 0 | 0 | 0 | 108.3 | M1 F5 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.76Å; S3-F5 PolarHBondContact O-N 3.15Å | ||
| 4 | S | 58.5 | Low | 72.5 | Confident | 119 Ų | 119 | 80 Ų | 80 | 83% | 0.832 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -63.4 | -1.4 | 172.1 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 5 | F | 62.5 | Low | 73.8 | Confident | 50 Ų | 50 | 83.4 Ų | 83.4 | 22% | 0.219 | 48% | 0.483 | C | S | . | . | trans | -82.5 | 138.2 | -177.7 | -72.7 | -87.3 | 0 | 0 | 0 | 111.9 | S3 E9 I10 Y44 V48 | S3-F5 PolarHBondContact O-N 3.15Å; F5-E9 WeakPolarHBondContact CA-OE2 3.41Å; F5-E9 HydrophobicContact CB-CB 4.33Å; F5-E9 HydrophobicContact CD1-CB 3.89Å; F5-E9 HydrophobicContact CD1-CG 4.38Å; F5-E9 WeakPolarHBondContact CD1-OE2 3.36Å; F5-I10 HydrophobicContact CB-CG1 4.2Å; F5-Y44 HydrophobicContact CD1-CD1 4.39Å; F5-Y44 HydrophobicContact CE1-CD1 4.07Å; F5-Y44 WeakPolarHBondContact CE2-O 3.33Å; F5-Y44 WeakPolarHBondContact CZ-O 3.5Å; F5-V48 HydrophobicContact CD2-CG2 3.8Å; F5-V48 HydrophobicContact CE2-CG2 3.75Å | ||
| 6 | G | 72.7 | Confident | 75.1 | Confident | 34 Ų | 34 | 81.4 Ų | 81.4 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | trans | -69.9 | 160.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S8 E9 I10 | G6-S8 PolarHBondContact O-N 3.04Å; G6-S8 VanDerWaalsContact O-N 3.15Å; G6-E9 PolarHBondContact N-OE2 3.15Å; G6-E9 PolarHBondContact O-N 3.25Å; G6-E9 VanDerWaalsContact O-N 3.11Å; G6-I10 PolarHBondContact O-N 3.11Å | ||
| 7 | S | 75.3 | Confident | 76.2 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57 | -30.4 | 177.4 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | T11 | S7-T11 PolarHBondContact O-N 3.06Å; S7-T11 VanDerWaalsContact O-N 3.15Å; S7-T11 PolarHBondContact O-OG1 2.77Å |
| 8 | S | 82.2 | Confident | 77 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 61% | 0.608 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.3 | -43.8 | 175.9 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | G6 T11 S12 | G6-S8 PolarHBondContact O-N 3.04Å; G6-S8 VanDerWaalsContact O-N 3.15Å; S8-T11 PolarHBondContact O-N 3.3Å; S8-S12 PolarHBondContact O-N 2.99Å |
| 9 | E | 84.4 | Confident | 77.8 | Confident | 87 Ų | 87 | 78.3 Ų | 78.3 | 41% | 0.407 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.8 | -39.6 | -179.2 | -66.3 | 173.6 | 137.4 | 0 | 0 | 111.4 | F5 G6 T11 S12 L13 Y44 | F5-E9 WeakPolarHBondContact CA-OE2 3.41Å; F5-E9 HydrophobicContact CB-CB 4.33Å; F5-E9 HydrophobicContact CD1-CB 3.89Å; F5-E9 HydrophobicContact CD1-CG 4.38Å; F5-E9 WeakPolarHBondContact CD1-OE2 3.36Å; G6-E9 PolarHBondContact N-OE2 3.15Å; G6-E9 PolarHBondContact O-N 3.25Å; G6-E9 VanDerWaalsContact O-N 3.11Å; E9-T11 VanDerWaalsContact C-N 3.31Å; E9-T11 PolarHBondContact O-N 2.98Å; E9-S12 PolarHBondContact O-N 3.05Å; E9-L13 PolarHBondContact O-N 3.4Å; E9-Y44 HydrophobicContact CB-CE1 4.48Å |
| 10 | I | 86.4 | Confident | 78.5 | Confident | 38 Ų | 38 | 74.9 Ų | 74.9 | 20% | 0.195 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 174.1 | -63.4 | 174.6 | 0 | 0 | 0 | 110.6 | F5 G6 L13 Q14 | F5-I10 HydrophobicContact CB-CG1 4.2Å; G6-I10 PolarHBondContact O-N 3.11Å; I10-L13 PolarHBondContact O-N 3.22Å; I10-Q14 HydrophobicContact CG2-CG 4.5Å; I10-Q14 WeakPolarHBondContact O-CG 3.17Å; I10-Q14 PolarHBondContact O-N 3.37Å |
| 11 | T | 87.7 | Confident | 79 | Confident | 78 Ų | 78 | 72 Ų | 72 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | S7 S8 E9 Q14 Q15 | S7-T11 PolarHBondContact O-N 3.06Å; S7-T11 VanDerWaalsContact O-N 3.15Å; S7-T11 PolarHBondContact O-OG1 2.77Å; S8-T11 PolarHBondContact O-N 3.3Å; E9-T11 VanDerWaalsContact C-N 3.31Å; E9-T11 PolarHBondContact O-N 2.98Å; T11-Q14 PolarHBondContact O-N 3.46Å; T11-Q15 PolarHBondContact O-N 3.46Å |
| 12 | S | 90.7 | Very high | 81.4 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 174.8 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | S8 E9 Q14 Q15 E16 Y44 | S8-S12 PolarHBondContact O-N 2.99Å; E9-S12 PolarHBondContact O-N 3.05Å; S12-Q14 PolarHBondContact O-N 2.93Å; S12-Q15 PolarHBondContact O-N 2.73Å; S12-E16 WeakPolarHBondContact O-CG 3.48Å; S12-E16 PolarHBondContact O-N 2.63Å; S12-Y44 PolarHBondContact OG-OH 3.21Å |
| 13 | L | 92.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 175.7 | 169.3 | 61.7 | 0 | 0 | 0 | 111.8 | E9 I10 Q15 E16 L17 I40 Y44 V48 V49 E52 | E9-L13 PolarHBondContact O-N 3.4Å; I10-L13 PolarHBondContact O-N 3.22Å; L13-Q15 VanDerWaalsContact C-N 3.3Å; L13-Q15 PolarHBondContact O-N 2.95Å; L13-E16 PolarHBondContact O-N 3.47Å; L13-L17 HydrophobicContact CD1-CD1 4Å; L13-L17 HydrophobicContact CD1-CG 4Å; L13-L17 HydrophobicContact CG-CD1 4.24Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 2.88Å; L13-I40 HydrophobicContact CD1-CG2 3.32Å; L13-Y44 HydrophobicContact CB-CD1 4.22Å; L13-Y44 HydrophobicContact CB-CD2 4.35Å; L13-Y44 HydrophobicContact CB-CE1 4.07Å; L13-Y44 HydrophobicContact CB-CE2 4.18Å; L13-Y44 HydrophobicContact CB-CG 4.35Å; L13-Y44 HydrophobicContact CD1-CD2 3.79Å; L13-Y44 HydrophobicContact CD1-CE2 4.09Å; L13-Y44 HydrophobicContact CD1-CG 4.21Å; L13-Y44 HydrophobicContact CD2-CG 4.41Å; L13-V48 HydrophobicContact CD2-CB 4.49Å; L13-V48 HydrophobicContact CD2-CG1 3.72Å; L13-V49 HydrophobicContact CD1-CG2 3.98Å; L13-V49 HydrophobicContact CD2-CG2 4.4Å; L13-E52 HydrophobicContact CD2-CB 4.26Å; L13-E52 HydrophobicContact CD2-CG 3.75Å; L13-E52 HydrophobicContact CG-CB 4.5Å; L13-E52 HydrophobicContact CG-CG 4.27Å |
| 14 | Q | 91.4 | Very high | 85.5 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 177.1 | -74.4 | 173.4 | -10.3 | 0 | 0 | 111.7 | I10 T11 S12 L17 L18 E52 | I10-Q14 HydrophobicContact CG2-CG 4.5Å; I10-Q14 WeakPolarHBondContact O-CG 3.17Å; I10-Q14 PolarHBondContact O-N 3.37Å; T11-Q14 PolarHBondContact O-N 3.46Å; S12-Q14 PolarHBondContact O-N 2.93Å; Q14-L17 PolarHBondContact O-N 3.34Å; Q14-L18 VanDerWaalsContact O-CB 3.29Å; Q14-L18 WeakPolarHBondContact O-CB 3.24Å; Q14-L18 VanDerWaalsContact O-CG 3.24Å; Q14-L18 WeakPolarHBondContact O-CG 3.29Å; Q14-L18 PolarHBondContact O-N 2.95Å; Q14-E52 HydrophobicContact CG-CG 4.34Å; Q14-E52 WeakPolarHBondContact CG-OE2 3.42Å; Q14-E52 PolarHBondContact NE2-OE2 3.28Å |
| 15 | Q | 92.4 | Very high | 86.8 | Confident | 131 Ų | 131 | 55 Ų | 55 | 61% | 0.612 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.9 | -40.5 | 177.3 | -170.6 | 174 | 3.5 | 0 | 0 | 112.2 | T11 S12 L13 L18 T19 | T11-Q15 PolarHBondContact O-N 3.46Å; S12-Q15 PolarHBondContact O-N 2.73Å; L13-Q15 VanDerWaalsContact C-N 3.3Å; L13-Q15 PolarHBondContact O-N 2.95Å; Q15-L18 PolarHBondContact O-N 2.82Å; Q15-T19 WeakPolarHBondContact O-CB 3.41Å; Q15-T19 PolarHBondContact O-N 2.95Å; Q15-T19 PolarHBondContact O-OG1 3.45Å |
| 16 | E | 94.3 | Very high | 87.7 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 174.5 | -71 | 179.2 | -138.3 | 0 | 0 | 110.8 | S12 L13 T19 L20 I40 K43 Y44 | S12-E16 WeakPolarHBondContact O-CG 3.48Å; S12-E16 PolarHBondContact O-N 2.63Å; L13-E16 PolarHBondContact O-N 3.47Å; E16-T19 WeakPolarHBondContact O-CB 3.42Å; E16-T19 PolarHBondContact O-N 3.2Å; E16-L20 PolarHBondContact O-N 3.21Å; E16-I40 HydrophobicContact CB-CD1 3.89Å; E16-I40 WeakPolarHBondContact OE2-CG1 3.24Å; E16-K43 IonicContact OE1-NZ 2.82Å; E16-K43 PolarHBondContact OE1-NZ 2.98Å; E16-K43 IonicContact OE2-NZ 3.99Å; E16-Y44 PolarHBondContact OE1-OH 3.43Å |
| 17 | L | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.3 | -69.9 | 177.5 | 0 | 0 | 0 | 112.9 | L13 Q14 T19 L20 F21 F37 I40 V49 E52 L56 | L13-L17 HydrophobicContact CD1-CD1 4Å; L13-L17 HydrophobicContact CD1-CG 4Å; L13-L17 HydrophobicContact CG-CD1 4.24Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 2.88Å; Q14-L17 PolarHBondContact O-N 3.34Å; L17-T19 VanDerWaalsContact C-N 3.26Å; L17-T19 PolarHBondContact O-N 2.66Å; L17-L20 PolarHBondContact O-N 3.14Å; L17-F21 WeakPolarHBondContact O-CD2 3.14Å; L17-F21 PolarHBondContact O-N 3.18Å; L17-F37 HydrophobicContact CD2-CD2 4.01Å; L17-F37 HydrophobicContact CD2-CE2 3.86Å; L17-I40 HydrophobicContact CD2-CD1 4.41Å; L17-V49 HydrophobicContact CD2-CG1 4.26Å; L17-E52 HydrophobicContact CD1-CB 3.69Å; L17-L56 HydrophobicContact CB-CD1 3.63Å; L17-L56 HydrophobicContact CD1-CD1 4.36Å |
| 18 | L | 91.7 | Very high | 88.5 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 53% | 0.529 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | 174.5 | -79.8 | 168 | 0 | 0 | 0 | 111.7 | Q14 Q15 G22 L56 | Q14-L18 VanDerWaalsContact O-CB 3.29Å; Q14-L18 WeakPolarHBondContact O-CB 3.24Å; Q14-L18 VanDerWaalsContact O-CG 3.24Å; Q14-L18 WeakPolarHBondContact O-CG 3.29Å; Q14-L18 PolarHBondContact O-N 2.95Å; Q15-L18 PolarHBondContact O-N 2.82Å; L18-G22 PolarHBondContact O-N 3.36Å; L18-L56 HydrophobicContact CD2-CD2 3.7Å; L18-L56 HydrophobicContact CG-CD2 4.23Å |
| 19 | T | 92.5 | Very high | 88.8 | Confident | 85 Ų | 85 | 65.7 Ų | 65.7 | 52% | 0.521 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 175.6 | -57 | 0 | 0 | 0 | 0 | 110.4 | Q15 E16 L17 F21 G22 I23 | Q15-T19 WeakPolarHBondContact O-CB 3.41Å; Q15-T19 PolarHBondContact O-N 2.95Å; Q15-T19 PolarHBondContact O-OG1 3.45Å; E16-T19 WeakPolarHBondContact O-CB 3.42Å; E16-T19 PolarHBondContact O-N 3.2Å; L17-T19 VanDerWaalsContact C-N 3.26Å; L17-T19 PolarHBondContact O-N 2.66Å; T19-F21 PolarHBondContact O-N 3.21Å; T19-G22 WeakPolarHBondContact O-CA 3.46Å; T19-G22 PolarHBondContact O-N 3.49Å; T19-G22 VanDerWaalsContact O-N 3.14Å; T19-I23 WeakPolarHBondContact O-CG1 3.19Å; T19-I23 PolarHBondContact O-N 3.28Å; T19-I23 VanDerWaalsContact O-N 3.1Å |
| 20 | L | 90.7 | Very high | 89 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.9 | -69.4 | -174.8 | 0 | 0 | 0 | 112.4 | E16 L17 G22 I23 Y32 V33 E36 F37 I40 | E16-L20 PolarHBondContact O-N 3.21Å; L17-L20 PolarHBondContact O-N 3.14Å; L20-G22 VanDerWaalsContact C-N 3.27Å; L20-G22 PolarHBondContact O-N 2.93Å; L20-I23 HydrophobicContact CD2-CD1 4.4Å; L20-I23 WeakPolarHBondContact O-CB 3.45Å; L20-I23 PolarHBondContact O-N 3.38Å; L20-Y32 HydrophobicContact CD2-CE1 4.48Å; L20-V33 HydrophobicContact CB-CG1 4.29Å; L20-V33 HydrophobicContact CD1-CG1 4.45Å; L20-E36 HydrophobicContact CD1-CB 4.14Å; L20-E36 HydrophobicContact CD2-CB 3.62Å; L20-E36 HydrophobicContact CD2-CG 4.18Å; L20-F37 HydrophobicContact CD1-CB 4.44Å; L20-I40 HydrophobicContact CD1-CD1 3.43Å; L20-I40 VanDerWaalsContact CD1-CD1 3.43Å; L20-I40 HydrophobicContact CG-CD1 4.26Å |
| 21 | F | 89.5 | Confident | 89.1 | Confident | 13 Ų | 13 | 66 Ų | 66 | 6% | 0.057 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.9 | -31.3 | 177.1 | -82.4 | -138.2 | 0 | 0 | 0 | 111.6 | L17 T19 I23 L24 K25 F53 L56 L60 I73 I77 | L17-F21 WeakPolarHBondContact O-CD2 3.14Å; L17-F21 PolarHBondContact O-N 3.18Å; T19-F21 PolarHBondContact O-N 3.21Å; F21-I23 VanDerWaalsContact C-N 3.31Å; F21-I23 PolarHBondContact O-N 3.42Å; F21-L24 PolarHBondContact O-N 3.11Å; F21-K25 PolarHBondContact O-N 3.14Å; F21-F53 AromaticContact CE2-CD2 3.79Å; F21-F53 HydrophobicContact CE2-CD2 3.79Å; F21-F53 AromaticContact CE2-CE2 3.67Å; F21-F53 HydrophobicContact CE2-CE2 3.67Å; F21-F53 AromaticContact CZ-CD2 3.57Å; F21-F53 HydrophobicContact CZ-CD2 3.57Å; F21-F53 AromaticContact CZ-CE2 3.37Å; F21-F53 HydrophobicContact CZ-CE2 3.37Å; F21-F53 HydrophobicContact CZ-CG 4.47Å; F21-F53 HydrophobicContact CZ-CZ 4.13Å; F21-L56 HydrophobicContact CD1-CB 4.3Å; F21-L56 HydrophobicContact CD1-CD1 4.37Å; F21-L56 HydrophobicContact CE1-CB 3.83Å; F21-L56 HydrophobicContact CE1-CD1 4.32Å; F21-L56 HydrophobicContact CG-CD1 4.49Å; F21-L56 HydrophobicContact CZ-CB 4.34Å; F21-L56 HydrophobicContact CZ-CD1 4.41Å; F21-L60 HydrophobicContact CD1-CD1 3.85Å; F21-L60 HydrophobicContact CE1-CD1 3.63Å; F21-I73 HydrophobicContact CD1-CG2 3.84Å; F21-I73 HydrophobicContact CE1-CG2 4.25Å; F21-I73 HydrophobicContact CG-CG2 4.37Å; F21-I77 HydrophobicContact CE1-CD1 3.72Å; F21-I77 HydrophobicContact CE2-CD1 4.16Å; F21-I77 HydrophobicContact CZ-CD1 3.49Å; F21-I77 VanDerWaalsContact CZ-CD1 3.49Å |
| 22 | G | 89.6 | Confident | 89.3 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | L18 T19 L20 L24 K25 | L18-G22 PolarHBondContact O-N 3.36Å; T19-G22 WeakPolarHBondContact O-CA 3.46Å; T19-G22 PolarHBondContact O-N 3.49Å; T19-G22 VanDerWaalsContact O-N 3.14Å; L20-G22 VanDerWaalsContact C-N 3.27Å; L20-G22 PolarHBondContact O-N 2.93Å; G22-L24 VanDerWaalsContact C-N 3.26Å; G22-L24 PolarHBondContact O-N 2.88Å; G22-K25 WeakPolarHBondContact O-CB 3.44Å; G22-K25 WeakPolarHBondContact O-CG 3.43Å; G22-K25 PolarHBondContact O-N 2.82Å |
| 23 | I | 89 | Confident | 89.3 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 176.1 | -64.2 | 168.4 | 0 | 0 | 0 | 111 | T19 L20 F21 K25 H27 R29 Y32 | T19-I23 WeakPolarHBondContact O-CG1 3.19Å; T19-I23 PolarHBondContact O-N 3.28Å; T19-I23 VanDerWaalsContact O-N 3.1Å; L20-I23 HydrophobicContact CD2-CD1 4.4Å; L20-I23 WeakPolarHBondContact O-CB 3.45Å; L20-I23 PolarHBondContact O-N 3.38Å; F21-I23 VanDerWaalsContact C-N 3.31Å; F21-I23 PolarHBondContact O-N 3.42Å; I23-K25 VanDerWaalsContact C-N 3.27Å; I23-K25 PolarHBondContact O-N 3.42Å; I23-H27 PolarHBondContact O-N 3.27Å; I23-R29 HydrophobicContact CG2-CB 3.93Å; I23-R29 HydrophobicContact CG2-CG 4.14Å; I23-Y32 HydrophobicContact CD1-CD1 4.21Å; I23-Y32 HydrophobicContact CD1-CE1 3.64Å |
| 24 | L | 89.1 | Confident | 89.2 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -8.8 | -176.7 | -60.2 | 172.2 | 0 | 0 | 0 | 114.3 | F21 G22 I26 V33 I73 L76 I80 | F21-L24 PolarHBondContact O-N 3.11Å; G22-L24 VanDerWaalsContact C-N 3.26Å; G22-L24 PolarHBondContact O-N 2.88Å; L24-I26 PolarHBondContact O-N 2.93Å; L24-V33 HydrophobicContact CD1-CG1 4.32Å; L24-V33 HydrophobicContact CD2-CB 4.46Å; L24-V33 HydrophobicContact CD2-CG2 3.83Å; L24-V33 HydrophobicContact CG-CG2 4.1Å; L24-I73 HydrophobicContact CB-CG1 4.04Å; L24-I73 HydrophobicContact CD1-CG2 4.44Å; L24-L76 HydrophobicContact CB-CD1 4.27Å; L24-L76 HydrophobicContact CD2-CD1 3.86Å; L24-I80 HydrophobicContact CD1-CD1 3.31Å; L24-I80 HydrophobicContact CD2-CD1 4.27Å; L24-I80 HydrophobicContact CG-CD1 4.41Å |
| 25 | K | 86.4 | Confident | 89.2 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -37.8 | 178.1 | -69.8 | -180 | 177.8 | 179 | 0 | 112.1 | F21 G22 I23 E69 N72 I73 | F21-K25 PolarHBondContact O-N 3.14Å; G22-K25 WeakPolarHBondContact O-CB 3.44Å; G22-K25 WeakPolarHBondContact O-CG 3.43Å; G22-K25 PolarHBondContact O-N 2.82Å; I23-K25 VanDerWaalsContact C-N 3.27Å; I23-K25 PolarHBondContact O-N 3.42Å; K25-E69 HydrophobicContact CB-CB 4.34Å; K25-E69 HydrophobicContact CB-CG 4.49Å; K25-E69 HydrophobicContact CD-CB 4.48Å; K25-E69 HydrophobicContact CG-CB 4.17Å; K25-N72 PolarHBondContact O-ND2 3.28Å; K25-I73 HydrophobicContact CG-CD1 3.8Å; K25-I73 HydrophobicContact CG-CG1 4.31Å |
| 26 | I | 80.4 | Confident | 89.3 | Confident | 138 Ų | 138 | 61 Ų | 61 | 71% | 0.708 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | -34.1 | -172.3 | -53.3 | 174.6 | 0 | 0 | 0 | 111.5 | L24 | L24-I26 PolarHBondContact O-N 2.93Š|
| 27 | H | 80.9 | Confident | 89.1 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | trans | -111.4 | 135.3 | -171.9 | -56.7 | -68.2 | 0 | 0 | 0 | 112.7 | I23 R29 | I23-H27 PolarHBondContact O-N 3.27Å; H27-R29 HydrophobicContact CB-CG 3.97Å; H27-R29 PolarHBondContact O-N 2.99Å | ||
| 28 | N | 84.2 | Confident | 89 | Confident | 123 Ų | 123 | 59.8 Ų | 59.8 | 66% | 0.658 | 31% | 0.312 | S | S | * | . | trans | -78.2 | 86 | 166.6 | -173.4 | -1.9 | 0 | 0 | 0 | 109.8 | V30 | N28-V30 VanDerWaalsContact OD1-CG2 3.25Å; N28-V30 WeakPolarHBondContact OD1-CG2 3.43Å | ||
| 29 | R | 88.3 | Confident | 89 | Confident | 135 Ų | 135 | 60.3 Ų | 60.3 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | trans | -113.3 | 41.5 | 176.3 | -68.1 | -165.6 | 179.3 | -172.2 | 0.2 | 112.3 | I23 H27 C31 Y32 V33 | I23-R29 HydrophobicContact CG2-CB 3.93Å; I23-R29 HydrophobicContact CG2-CG 4.14Å; H27-R29 HydrophobicContact CB-CG 3.97Å; H27-R29 PolarHBondContact O-N 2.99Å; R29-C31 PolarHBondContact O-N 3.47Å; R29-Y32 PolarHBondContact O-N 3.1Å; R29-V33 WeakPolarHBondContact O-CG2 3.27Å; R29-V33 PolarHBondContact O-N 3.41Å | ||
| 30 | V | 88.1 | Confident | 88.9 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -52.4 | -48.8 | -175.2 | 170.2 | 0 | 0 | 0 | 0 | 112.3 | N28 Y32 V33 V34 L76 I80 | N28-V30 VanDerWaalsContact OD1-CG2 3.25Å; N28-V30 WeakPolarHBondContact OD1-CG2 3.43Å; V30-Y32 PolarHBondContact O-N 3.22Å; V30-V33 PolarHBondContact O-N 2.96Å; V30-V34 HydrophobicContact CG1-CG2 4.16Å; V30-V34 WeakPolarHBondContact O-CG2 3.5Å; V30-V34 PolarHBondContact O-N 3.48Å; V30-L76 HydrophobicContact CG2-CB 4.19Å; V30-L76 HydrophobicContact CG2-CD2 3.96Å; V30-I80 HydrophobicContact CG1-CG1 4.19Å; V30-I80 HydrophobicContact CG2-CG1 4.45Å |
| 31 | C | 88.4 | Confident | 88.8 | Confident | 111 Ų | 111 | 56.9 Ų | 56.9 | 75% | 0.75 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | -178.1 | -56 | 0 | 0 | 0 | 0 | 113.3 | R29 V34 S35 | R29-C31 PolarHBondContact O-N 3.47Å; C31-V34 PolarHBondContact O-N 3.09Å; C31-S35 PolarHBondContact O-N 2.91Å |
| 32 | Y | 92.2 | Very high | 88.7 | Confident | 109 Ų | 109 | 62.1 Ų | 62.1 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 175.3 | 172.3 | -98.4 | 0 | 0 | 0 | 110.6 | L20 I23 R29 V30 V34 S35 E36 | L20-Y32 HydrophobicContact CD2-CE1 4.48Å; I23-Y32 HydrophobicContact CD1-CD1 4.21Å; I23-Y32 HydrophobicContact CD1-CE1 3.64Å; R29-Y32 PolarHBondContact O-N 3.1Å; V30-Y32 PolarHBondContact O-N 3.22Å; Y32-V34 VanDerWaalsContact C-N 3.33Å; Y32-V34 PolarHBondContact O-N 2.67Å; Y32-S35 PolarHBondContact O-N 3.2Å; Y32-E36 HydrophobicContact CD1-CG 4.32Å; Y32-E36 HydrophobicContact CD2-CG 4.26Å; Y32-E36 HydrophobicContact CE1-CG 3.8Å; Y32-E36 HydrophobicContact CE2-CG 3.74Å; Y32-E36 VanDerWaalsContact CZ-CG 3.49Å; Y32-E36 WeakPolarHBondContact O-CG 3.43Å; Y32-E36 PolarHBondContact O-N 3.14Å |
| 33 | V | 90.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | L20 L24 R29 V30 F37 I80 | L20-V33 HydrophobicContact CB-CG1 4.29Å; L20-V33 HydrophobicContact CD1-CG1 4.45Å; L24-V33 HydrophobicContact CD1-CG1 4.32Å; L24-V33 HydrophobicContact CD2-CB 4.46Å; L24-V33 HydrophobicContact CD2-CG2 3.83Å; L24-V33 HydrophobicContact CG-CG2 4.1Å; R29-V33 WeakPolarHBondContact O-CG2 3.27Å; R29-V33 PolarHBondContact O-N 3.41Å; V30-V33 PolarHBondContact O-N 2.96Å; V33-F37 WeakPolarHBondContact O-CB 3.31Å; V33-F37 PolarHBondContact O-N 3Å; V33-I80 HydrophobicContact CB-CD1 4.41Å; V33-I80 HydrophobicContact CG1-CD1 3.73Å; V33-I80 HydrophobicContact CG1-CG1 4.15Å; V33-I80 HydrophobicContact CG1-CG2 4.35Å |
| 34 | V | 91.2 | Very high | 88.7 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | V30 C31 Y32 E36 F37 L38 I80 A84 | V30-V34 HydrophobicContact CG1-CG2 4.16Å; V30-V34 WeakPolarHBondContact O-CG2 3.5Å; V30-V34 PolarHBondContact O-N 3.48Å; C31-V34 PolarHBondContact O-N 3.09Å; Y32-V34 VanDerWaalsContact C-N 3.33Å; Y32-V34 PolarHBondContact O-N 2.67Å; V34-E36 PolarHBondContact O-N 3.08Å; V34-F37 PolarHBondContact O-N 3.37Å; V34-L38 HydrophobicContact CG1-CD1 3.91Å; V34-L38 HydrophobicContact CG1-CG 4.44Å; V34-L38 VanDerWaalsContact O-CG 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.4Å; V34-L38 PolarHBondContact O-N 3.17Å; V34-I80 HydrophobicContact CG2-CB 4.33Å; V34-I80 HydrophobicContact CG2-CG1 4.42Å; V34-I80 HydrophobicContact CG2-CG2 4.2Å; V34-A84 HydrophobicContact CG1-CB 4.44Å |
| 35 | S | 91.9 | Very high | 88.5 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 178 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | C31 Y32 L38 K39 | C31-S35 PolarHBondContact O-N 2.91Å; Y32-S35 PolarHBondContact O-N 3.2Å; S35-L38 PolarHBondContact O-N 3.07Å; S35-K39 WeakPolarHBondContact O-CG 3.44Å; S35-K39 PolarHBondContact O-N 3.44Å; S35-K39 VanDerWaalsContact O-N 3.14Å |
| 36 | E | 93.3 | Very high | 88.3 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 177 | -65.6 | -53 | 127.3 | 0 | 0 | 111.7 | L20 Y32 V34 L38 K39 I40 | L20-E36 HydrophobicContact CD1-CB 4.14Å; L20-E36 HydrophobicContact CD2-CB 3.62Å; L20-E36 HydrophobicContact CD2-CG 4.18Å; Y32-E36 HydrophobicContact CD1-CG 4.32Å; Y32-E36 HydrophobicContact CD2-CG 4.26Å; Y32-E36 HydrophobicContact CE1-CG 3.8Å; Y32-E36 HydrophobicContact CE2-CG 3.74Å; Y32-E36 VanDerWaalsContact CZ-CG 3.49Å; Y32-E36 WeakPolarHBondContact O-CG 3.43Å; Y32-E36 PolarHBondContact O-N 3.14Å; V34-E36 PolarHBondContact O-N 3.08Å; E36-L38 VanDerWaalsContact C-N 3.35Å; E36-L38 PolarHBondContact O-N 3.29Å; E36-K39 WeakPolarHBondContact O-CB 3.42Å; E36-K39 PolarHBondContact O-N 2.84Å; E36-K39 VanDerWaalsContact O-N 3.15Å; E36-K39 IonicContact OE1-NZ 3.86Å; E36-K39 PolarHBondContact OE1-NZ 3.44Å; E36-K39 IonicContact OE2-NZ 2.89Å; E36-I40 VanDerWaalsContact O-CG1 3.27Å; E36-I40 WeakPolarHBondContact O-CG1 3.38Å; E36-I40 PolarHBondContact O-N 3.41Å |
| 37 | F | 91.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.6 | -171.7 | -98 | 0 | 0 | 0 | 111.9 | L17 L20 V33 V34 K39 I40 Q41 V49 F53 A84 F97 | L17-F37 HydrophobicContact CD2-CD2 4.01Å; L17-F37 HydrophobicContact CD2-CE2 3.86Å; L20-F37 HydrophobicContact CD1-CB 4.44Å; V33-F37 WeakPolarHBondContact O-CB 3.31Å; V33-F37 PolarHBondContact O-N 3Å; V34-F37 PolarHBondContact O-N 3.37Å; F37-K39 VanDerWaalsContact C-N 3.35Å; F37-K39 PolarHBondContact O-N 3.34Å; F37-I40 WeakPolarHBondContact O-CB 3.16Å; F37-I40 PolarHBondContact O-N 3.3Å; F37-Q41 HydrophobicContact CD1-CG 4.13Å; F37-Q41 HydrophobicContact CE1-CG 3.81Å; F37-Q41 HydrophobicContact CZ-CG 4.29Å; F37-Q41 WeakPolarHBondContact O-CG 3.23Å; F37-Q41 PolarHBondContact O-N 3.47Å; F37-V49 HydrophobicContact CD2-CG1 4.36Å; F37-V49 HydrophobicContact CE1-CG1 4.48Å; F37-V49 HydrophobicContact CE2-CG1 3.54Å; F37-V49 HydrophobicContact CZ-CG1 3.59Å; F37-F53 AromaticContact CE2-CD2 3.83Å; F37-F53 HydrophobicContact CE2-CD2 3.83Å; F37-F53 HydrophobicContact CE2-CE2 4.39Å; F37-F53 HydrophobicContact CZ-CD2 4.23Å; F37-A84 HydrophobicContact CD1-CB 4.28Å; F37-F97 HydrophobicContact CD1-CE1 4.41Å; F37-F97 AromaticContact CE1-CD1 3.96Å; F37-F97 HydrophobicContact CE1-CD1 3.96Å; F37-F97 HydrophobicContact CE1-CD2 4.09Å; F37-F97 AromaticContact CE1-CE1 3.53Å; F37-F97 HydrophobicContact CE1-CE1 3.53Å; F37-F97 AromaticContact CE1-CE2 3.74Å; F37-F97 HydrophobicContact CE1-CE2 3.74Å; F37-F97 HydrophobicContact CE1-CG 4.24Å; F37-F97 AromaticContact CE1-CZ 3.46Å; F37-F97 HydrophobicContact CE1-CZ 3.46Å; F37-F97 VanDerWaalsContact CE1-CZ 3.46Å; F37-F97 HydrophobicContact CE2-CE2 4.48Å; F37-F97 HydrophobicContact CE2-CZ 4.19Å; F37-F97 HydrophobicContact CZ-CD2 4.07Å; F37-F97 AromaticContact CZ-CE1 3.83Å; F37-F97 HydrophobicContact CZ-CE1 3.83Å; F37-F97 AromaticContact CZ-CE2 3.35Å; F37-F97 HydrophobicContact CZ-CE2 3.35Å; F37-F97 AromaticContact CZ-CZ 3.22Å; F37-F97 HydrophobicContact CZ-CZ 3.22Å |
| 38 | L | 89.7 | Confident | 88.7 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 174.6 | -68.9 | 164.2 | 0 | 0 | 0 | 111.9 | V34 S35 E36 Q41 K42 A84 A87 E88 | V34-L38 HydrophobicContact CG1-CD1 3.91Å; V34-L38 HydrophobicContact CG1-CG 4.44Å; V34-L38 VanDerWaalsContact O-CG 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.4Å; V34-L38 PolarHBondContact O-N 3.17Å; S35-L38 PolarHBondContact O-N 3.07Å; E36-L38 VanDerWaalsContact C-N 3.35Å; E36-L38 PolarHBondContact O-N 3.29Å; L38-Q41 PolarHBondContact O-N 3.17Å; L38-K42 WeakPolarHBondContact O-CG 3.41Å; L38-K42 PolarHBondContact O-N 2.99Å; L38-A84 HydrophobicContact CD2-CB 4.36Å; L38-A87 HydrophobicContact CD1-CB 3.57Å; L38-A87 HydrophobicContact CD2-CB 4.39Å; L38-E88 HydrophobicContact CD2-CG 3.9Å |
| 39 | K | 91.7 | Very high | 89 | Confident | 113 Ų | 113 | 50.6 Ų | 50.6 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 173.1 | -68 | 172.5 | -170.3 | 170.9 | 0 | 111.5 | S35 E36 F37 K42 K43 | S35-K39 WeakPolarHBondContact O-CG 3.44Å; S35-K39 PolarHBondContact O-N 3.44Å; S35-K39 VanDerWaalsContact O-N 3.14Å; E36-K39 WeakPolarHBondContact O-CB 3.42Å; E36-K39 PolarHBondContact O-N 2.84Å; E36-K39 VanDerWaalsContact O-N 3.15Å; E36-K39 IonicContact OE1-NZ 3.86Å; E36-K39 PolarHBondContact OE1-NZ 3.44Å; E36-K39 IonicContact OE2-NZ 2.89Å; F37-K39 VanDerWaalsContact C-N 3.35Å; F37-K39 PolarHBondContact O-N 3.34Å; K39-K42 PolarHBondContact O-N 2.87Å; K39-K43 WeakPolarHBondContact O-CB 3.46Å; K39-K43 PolarHBondContact O-N 3.27Å |
| 40 | I | 91.1 | Very high | 88.9 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 175.9 | -64.8 | 174.1 | 0 | 0 | 0 | 110.3 | L13 E16 L17 L20 E36 F37 K42 K43 Y44 V49 | L13-I40 HydrophobicContact CD1-CG2 3.32Å; E16-I40 HydrophobicContact CB-CD1 3.89Å; E16-I40 WeakPolarHBondContact OE2-CG1 3.24Å; L17-I40 HydrophobicContact CD2-CD1 4.41Å; L20-I40 HydrophobicContact CD1-CD1 3.43Å; L20-I40 VanDerWaalsContact CD1-CD1 3.43Å; L20-I40 HydrophobicContact CG-CD1 4.26Å; E36-I40 VanDerWaalsContact O-CG1 3.27Å; E36-I40 WeakPolarHBondContact O-CG1 3.38Å; E36-I40 PolarHBondContact O-N 3.41Å; F37-I40 WeakPolarHBondContact O-CB 3.16Å; F37-I40 PolarHBondContact O-N 3.3Å; I40-K42 PolarHBondContact O-N 3.49Å; I40-K43 PolarHBondContact O-N 3.24Å; I40-Y44 HydrophobicContact CG2-CD2 3.77Å; I40-Y44 HydrophobicContact CG2-CE2 4.17Å; I40-Y44 WeakPolarHBondContact O-CD2 3.24Å; I40-Y44 PolarHBondContact O-N 2.86Å; I40-V49 HydrophobicContact CG2-CG1 4.11Å; I40-V49 HydrophobicContact CG2-CG2 3.83Å |
| 41 | Q | 88.4 | Confident | 89 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 174.7 | -74.2 | 178.6 | -58.8 | 0 | 0 | 112.5 | F37 L38 K43 G45 V49 E88 | F37-Q41 HydrophobicContact CD1-CG 4.13Å; F37-Q41 HydrophobicContact CE1-CG 3.81Å; F37-Q41 HydrophobicContact CZ-CG 4.29Å; F37-Q41 WeakPolarHBondContact O-CG 3.23Å; F37-Q41 PolarHBondContact O-N 3.47Å; L38-Q41 PolarHBondContact O-N 3.17Å; Q41-K43 VanDerWaalsContact C-N 3.32Å; Q41-G45 CarbonylContact O-C 3.59Å; Q41-G45 WeakPolarHBondContact O-CA 3.38Å; Q41-G45 PolarHBondContact O-N 3.45Å; Q41-V49 HydrophobicContact CG-CB 4.13Å; Q41-V49 HydrophobicContact CG-CG1 4Å; Q41-V49 HydrophobicContact CG-CG2 4.32Å; Q41-E88 PolarHBondContact NE2-OE1 3.36Å; Q41-E88 PolarHBondContact OE1-OE1 3.2Å |
| 42 | K | 87 | Confident | 89.1 | Confident | 124 Ų | 124 | 40.5 Ų | 40.5 | 54% | 0.539 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.9 | -35.4 | 174.8 | -73.2 | 175.7 | -178.2 | 179.5 | 0 | 111.9 | L38 K39 I40 E91 | L38-K42 WeakPolarHBondContact O-CG 3.41Å; L38-K42 PolarHBondContact O-N 2.99Å; K39-K42 PolarHBondContact O-N 2.87Å; I40-K42 PolarHBondContact O-N 3.49Å; K42-E91 WeakPolarHBondContact CE-OE2 3.05Å; K42-E91 IonicContact NZ-OE1 3.76Å; K42-E91 PolarHBondContact NZ-OE1 2.71Å; K42-E91 IonicContact NZ-OE2 3.9Å; K42-E91 PolarHBondContact NZ-OE2 3.29Å |
| 43 | K | 89.8 | Confident | 89.1 | Confident | 128 Ų | 128 | 35.4 Ų | 35.4 | 56% | 0.557 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -75.1 | -46.9 | -179.3 | -178.8 | 178.2 | 169.8 | -169.5 | 0 | 113.8 | E16 K39 I40 Q41 | E16-K43 IonicContact OE1-NZ 2.82Å; E16-K43 PolarHBondContact OE1-NZ 2.98Å; E16-K43 IonicContact OE2-NZ 3.99Å; K39-K43 WeakPolarHBondContact O-CB 3.46Å; K39-K43 PolarHBondContact O-N 3.27Å; I40-K43 PolarHBondContact O-N 3.24Å; Q41-K43 VanDerWaalsContact C-N 3.32Å |
| 44 | Y | 88.2 | Confident | 89.2 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -107.2 | -8.3 | -172.5 | -62.3 | -83.8 | 0 | 0 | 0 | 114.1 | F5 E9 S12 L13 E16 I40 | F5-Y44 HydrophobicContact CD1-CD1 4.39Å; F5-Y44 HydrophobicContact CE1-CD1 4.07Å; F5-Y44 WeakPolarHBondContact CE2-O 3.33Å; F5-Y44 WeakPolarHBondContact CZ-O 3.5Å; E9-Y44 HydrophobicContact CB-CE1 4.48Å; S12-Y44 PolarHBondContact OG-OH 3.21Å; L13-Y44 HydrophobicContact CB-CD1 4.22Å; L13-Y44 HydrophobicContact CB-CD2 4.35Å; L13-Y44 HydrophobicContact CB-CE1 4.07Å; L13-Y44 HydrophobicContact CB-CE2 4.18Å; L13-Y44 HydrophobicContact CB-CG 4.35Å; L13-Y44 HydrophobicContact CD1-CD2 3.79Å; L13-Y44 HydrophobicContact CD1-CE2 4.09Å; L13-Y44 HydrophobicContact CD1-CG 4.21Å; L13-Y44 HydrophobicContact CD2-CG 4.41Å; E16-Y44 PolarHBondContact OE1-OH 3.43Å; I40-Y44 HydrophobicContact CG2-CD2 3.77Å; I40-Y44 HydrophobicContact CG2-CE2 4.17Å; I40-Y44 WeakPolarHBondContact O-CD2 3.24Å; I40-Y44 PolarHBondContact O-N 2.86Å |
| 45 | G | 84.8 | Confident | 89.3 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 27% | 0.268 | 22% | 0.221 | S | C | . | . | trans | 83.9 | 131.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q41 H47 V48 V49 | Q41-G45 CarbonylContact O-C 3.59Å; Q41-G45 WeakPolarHBondContact O-CA 3.38Å; Q41-G45 PolarHBondContact O-N 3.45Å; G45-H47 VanDerWaalsContact C-N 3.25Å; G45-H47 PolarHBondContact O-N 2.8Å; G45-H47 VanDerWaalsContact O-N 3.09Å; G45-V48 PolarHBondContact O-N 3.23Å; G45-V48 VanDerWaalsContact O-N 3.12Å; G45-V49 PolarHBondContact O-N 2.98Å | ||
| 46 | G | 82.2 | Confident | 89.3 | Confident | 27 Ų | 27 | 42 Ų | 42 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.9 | -31.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y50 | G46-Y50 WeakPolarHBondContact O-CB 3.38Å; G46-Y50 PolarHBondContact O-N 3.25Å |
| 47 | H | 83.2 | Confident | 89.3 | Confident | 87 Ų | 87 | 40 Ų | 40 | 40% | 0.403 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.6 | -38.8 | 179 | 75.9 | -79.2 | 0 | 0 | 0 | 113.2 | G45 A51 | G45-H47 VanDerWaalsContact C-N 3.25Å; G45-H47 PolarHBondContact O-N 2.8Å; G45-H47 VanDerWaalsContact O-N 3.09Å; H47-A51 PolarHBondContact O-N 3.22Å |
| 48 | V | 87 | Confident | 89.4 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.6 | -46.4 | 177.9 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | F5 L13 G45 Y50 A51 E52 | F5-V48 HydrophobicContact CD2-CG2 3.8Å; F5-V48 HydrophobicContact CE2-CG2 3.75Å; L13-V48 HydrophobicContact CD2-CB 4.49Å; L13-V48 HydrophobicContact CD2-CG1 3.72Å; G45-V48 PolarHBondContact O-N 3.23Å; G45-V48 VanDerWaalsContact O-N 3.12Å; V48-Y50 VanDerWaalsContact C-N 3.3Å; V48-Y50 PolarHBondContact O-N 2.88Å; V48-A51 PolarHBondContact O-N 3.23Å; V48-A51 VanDerWaalsContact O-N 3.11Å; V48-E52 PolarHBondContact O-N 3.49Å; V48-E52 VanDerWaalsContact O-N 3.14Å |
| 49 | V | 89.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 178.8 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | L13 L17 F37 I40 Q41 G45 E52 F53 | L13-V49 HydrophobicContact CD1-CG2 3.98Å; L13-V49 HydrophobicContact CD2-CG2 4.4Å; L17-V49 HydrophobicContact CD2-CG1 4.26Å; F37-V49 HydrophobicContact CD2-CG1 4.36Å; F37-V49 HydrophobicContact CE1-CG1 4.48Å; F37-V49 HydrophobicContact CE2-CG1 3.54Å; F37-V49 HydrophobicContact CZ-CG1 3.59Å; I40-V49 HydrophobicContact CG2-CG1 4.11Å; I40-V49 HydrophobicContact CG2-CG2 3.83Å; Q41-V49 HydrophobicContact CG-CB 4.13Å; Q41-V49 HydrophobicContact CG-CG1 4Å; Q41-V49 HydrophobicContact CG-CG2 4.32Å; G45-V49 PolarHBondContact O-N 2.98Å; V49-E52 PolarHBondContact O-N 3.25Å; V49-F53 VanDerWaalsContact O-CB 3.24Å; V49-F53 WeakPolarHBondContact O-CB 3.26Å; V49-F53 PolarHBondContact O-N 3.04Å |
| 50 | Y | 87.5 | Confident | 89.7 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 175.9 | 178.8 | -88.6 | 0 | 0 | 0 | 112.3 | G46 V48 E52 F53 E54 F97 R100 F101 F104 | G46-Y50 WeakPolarHBondContact O-CB 3.38Å; G46-Y50 PolarHBondContact O-N 3.25Å; V48-Y50 VanDerWaalsContact C-N 3.3Å; V48-Y50 PolarHBondContact O-N 2.88Å; Y50-E52 VanDerWaalsContact C-N 3.3Å; Y50-E52 PolarHBondContact O-N 3.36Å; Y50-F53 WeakPolarHBondContact O-CB 3.38Å; Y50-F53 PolarHBondContact O-N 3.44Å; Y50-E54 HydrophobicContact CE1-CB 4.16Å; Y50-E54 HydrophobicContact CE1-CG 4.45Å; Y50-E54 WeakPolarHBondContact CE1-OE2 3.44Å; Y50-E54 WeakPolarHBondContact O-CB 3.15Å; Y50-E54 PolarHBondContact O-N 3.35Å; Y50-F97 AromaticContact CD2-CD2 3.49Å; Y50-F97 HydrophobicContact CD2-CD2 3.49Å; Y50-F97 VanDerWaalsContact CD2-CD2 3.49Å; Y50-F97 AromaticContact CD2-CE2 3.5Å; Y50-F97 HydrophobicContact CD2-CE2 3.5Å; Y50-F97 VanDerWaalsContact CD2-CE2 3.5Å; Y50-F97 HydrophobicContact CE2-CD2 4.41Å; Y50-F97 HydrophobicContact CE2-CE2 4.31Å; Y50-F97 HydrophobicContact CG-CD2 4.28Å; Y50-F97 HydrophobicContact CG-CE2 4.36Å; Y50-R100 HydrophobicContact CD1-CB 4.08Å; Y50-R100 HydrophobicContact CD2-CB 3.86Å; Y50-R100 HydrophobicContact CE1-CB 3.67Å; Y50-R100 HydrophobicContact CE1-CG 4.46Å; Y50-R100 HydrophobicContact CE2-CB 3.49Å; Y50-R100 VanDerWaalsContact CE2-CB 3.49Å; Y50-R100 HydrophobicContact CG-CB 4.16Å; Y50-R100 VanDerWaalsContact CZ-CB 3.41Å; Y50-R100 PolarHBondContact OH-O 3.12Å; Y50-F101 HydrophobicContact CE2-CB 4.32Å; Y50-F101 PolarHBondContact OH-N 3.09Å; Y50-F104 WeakPolarHBondContact OH-CB 3.42Å |
| 51 | A | 88.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 29% | 0.289 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.2 | -39.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H47 V48 K55 | H47-A51 PolarHBondContact O-N 3.22Å; V48-A51 PolarHBondContact O-N 3.23Å; V48-A51 VanDerWaalsContact O-N 3.11Å; A51-K55 WeakPolarHBondContact O-CG 3.42Å; A51-K55 PolarHBondContact O-N 3.46Å |
| 52 | E | 91.8 | Very high | 90.1 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.6 | -37.4 | 174.5 | -62.9 | -50.3 | 126.8 | 0 | 0 | 112.5 | L13 Q14 L17 V48 V49 Y50 E54 K55 L56 | L13-E52 HydrophobicContact CD2-CB 4.26Å; L13-E52 HydrophobicContact CD2-CG 3.75Å; L13-E52 HydrophobicContact CG-CB 4.5Å; L13-E52 HydrophobicContact CG-CG 4.27Å; Q14-E52 HydrophobicContact CG-CG 4.34Å; Q14-E52 WeakPolarHBondContact CG-OE2 3.42Å; Q14-E52 PolarHBondContact NE2-OE2 3.28Å; L17-E52 HydrophobicContact CD1-CB 3.69Å; V48-E52 PolarHBondContact O-N 3.49Å; V48-E52 VanDerWaalsContact O-N 3.14Å; V49-E52 PolarHBondContact O-N 3.25Å; Y50-E52 VanDerWaalsContact C-N 3.3Å; Y50-E52 PolarHBondContact O-N 3.36Å; E52-E54 VanDerWaalsContact C-N 3.32Å; E52-E54 PolarHBondContact O-N 3.48Å; E52-K55 VanDerWaalsContact CD-NZ 3.33Å; E52-K55 PolarHBondContact O-N 3Å; E52-K55 IonicContact OE1-NZ 2.66Å; E52-K55 PolarHBondContact OE1-NZ 3.23Å; E52-K55 WeakPolarHBondContact OE2-CD 3.06Å; E52-K55 IonicContact OE2-NZ 3.2Å; E52-K55 PolarHBondContact OE2-NZ 2.92Å; E52-L56 PolarHBondContact O-N 3.33Å |
| 53 | F | 92.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 173 | 179.9 | -85.4 | 0 | 0 | 0 | 112 | F21 F37 V49 Y50 K55 L56 L57 I77 V81 F97 F101 | F21-F53 AromaticContact CE2-CD2 3.79Å; F21-F53 HydrophobicContact CE2-CD2 3.79Å; F21-F53 AromaticContact CE2-CE2 3.67Å; F21-F53 HydrophobicContact CE2-CE2 3.67Å; F21-F53 AromaticContact CZ-CD2 3.57Å; F21-F53 HydrophobicContact CZ-CD2 3.57Å; F21-F53 AromaticContact CZ-CE2 3.37Å; F21-F53 HydrophobicContact CZ-CE2 3.37Å; F21-F53 HydrophobicContact CZ-CG 4.47Å; F21-F53 HydrophobicContact CZ-CZ 4.13Å; F37-F53 AromaticContact CE2-CD2 3.83Å; F37-F53 HydrophobicContact CE2-CD2 3.83Å; F37-F53 HydrophobicContact CE2-CE2 4.39Å; F37-F53 HydrophobicContact CZ-CD2 4.23Å; V49-F53 VanDerWaalsContact O-CB 3.24Å; V49-F53 WeakPolarHBondContact O-CB 3.26Å; V49-F53 PolarHBondContact O-N 3.04Å; Y50-F53 WeakPolarHBondContact O-CB 3.38Å; Y50-F53 PolarHBondContact O-N 3.44Å; F53-K55 VanDerWaalsContact C-N 3.33Å; F53-K55 PolarHBondContact O-N 3.26Å; F53-L56 PolarHBondContact O-N 2.92Å; F53-L57 HydrophobicContact CE1-CD2 4.25Å; F53-L57 WeakPolarHBondContact O-CB 3.43Å; F53-L57 PolarHBondContact O-N 3.43Å; F53-I77 HydrophobicContact CE1-CG2 4.48Å; F53-I77 HydrophobicContact CE2-CD1 4.08Å; F53-I77 HydrophobicContact CZ-CD1 3.89Å; F53-I77 HydrophobicContact CZ-CG2 3.96Å; F53-V81 HydrophobicContact CE1-CG2 4.38Å; F53-V81 HydrophobicContact CZ-CG2 4.07Å; F53-F97 HydrophobicContact CD1-CE2 4.11Å; F53-F97 AromaticContact CD1-CZ 3.97Å; F53-F97 HydrophobicContact CD1-CZ 3.97Å; F53-F97 HydrophobicContact CD2-CZ 4.09Å; F53-F97 HydrophobicContact CE1-CE2 4.44Å; F53-F97 AromaticContact CE1-CZ 3.9Å; F53-F97 HydrophobicContact CE1-CZ 3.9Å; F53-F97 AromaticContact CE2-CZ 3.99Å; F53-F97 HydrophobicContact CE2-CZ 3.99Å; F53-F97 HydrophobicContact CG-CE2 4.18Å; F53-F97 HydrophobicContact CG-CZ 4.06Å; F53-F97 AromaticContact CZ-CZ 3.9Å; F53-F97 HydrophobicContact CZ-CZ 3.9Å; F53-F101 HydrophobicContact CE1-CD2 4.43Å |
| 54 | E | 92.5 | Very high | 90.3 | Very high | 70 Ų | 70 | 46.7 Ų | 46.7 | 33% | 0.327 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.6 | -41.9 | 177.3 | -170 | -174.2 | 140.5 | 0 | 0 | 111.3 | Y50 E52 L56 L57 Y58 F104 | Y50-E54 HydrophobicContact CE1-CB 4.16Å; Y50-E54 HydrophobicContact CE1-CG 4.45Å; Y50-E54 WeakPolarHBondContact CE1-OE2 3.44Å; Y50-E54 WeakPolarHBondContact O-CB 3.15Å; Y50-E54 PolarHBondContact O-N 3.35Å; E52-E54 VanDerWaalsContact C-N 3.32Å; E52-E54 PolarHBondContact O-N 3.48Å; E54-L56 PolarHBondContact O-N 3.29Å; E54-L57 PolarHBondContact O-N 3.19Å; E54-Y58 WeakPolarHBondContact O-CB 3.38Å; E54-Y58 PolarHBondContact O-N 3.43Å; E54-F104 VanDerWaalsContact CD-CD2 3.44Å; E54-F104 HydrophobicContact CG-CB 4.46Å; E54-F104 HydrophobicContact CG-CD1 4.45Å; E54-F104 HydrophobicContact CG-CD2 3.33Å; E54-F104 HydrophobicContact CG-CE2 3.5Å; E54-F104 VanDerWaalsContact CG-CE2 3.5Å; E54-F104 HydrophobicContact CG-CG 3.84Å; E54-F104 HydrophobicContact CG-CZ 4.15Å; E54-F104 VanDerWaalsContact OE1-CD2 3.24Å; E54-F104 WeakPolarHBondContact OE1-CD2 3.41Å |
| 55 | K | 92.3 | Very high | 90 | Very high | 109 Ų | 109 | 52 Ų | 52 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 175.7 | -65.8 | 171.2 | -172.2 | 170.5 | 0 | 111.9 | A51 E52 F53 Y58 C59 | A51-K55 WeakPolarHBondContact O-CG 3.42Å; A51-K55 PolarHBondContact O-N 3.46Å; E52-K55 VanDerWaalsContact CD-NZ 3.33Å; E52-K55 PolarHBondContact O-N 3Å; E52-K55 IonicContact OE1-NZ 2.66Å; E52-K55 PolarHBondContact OE1-NZ 3.23Å; E52-K55 WeakPolarHBondContact OE2-CD 3.06Å; E52-K55 IonicContact OE2-NZ 3.2Å; E52-K55 PolarHBondContact OE2-NZ 2.92Å; F53-K55 VanDerWaalsContact C-N 3.33Å; F53-K55 PolarHBondContact O-N 3.26Å; K55-Y58 PolarHBondContact O-N 3.48Å; K55-C59 PolarHBondContact O-N 3.29Å; K55-C59 PolarHBondContact O-SG 3.38Å |
| 56 | L | 92.2 | Very high | 89.9 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 175.9 | -68.1 | 176.4 | 0 | 0 | 0 | 111.4 | L17 L18 F21 E52 F53 E54 Y58 C59 L60 | L17-L56 HydrophobicContact CB-CD1 3.63Å; L17-L56 HydrophobicContact CD1-CD1 4.36Å; L18-L56 HydrophobicContact CD2-CD2 3.7Å; L18-L56 HydrophobicContact CG-CD2 4.23Å; F21-L56 HydrophobicContact CD1-CB 4.3Å; F21-L56 HydrophobicContact CD1-CD1 4.37Å; F21-L56 HydrophobicContact CE1-CB 3.83Å; F21-L56 HydrophobicContact CE1-CD1 4.32Å; F21-L56 HydrophobicContact CG-CD1 4.49Å; F21-L56 HydrophobicContact CZ-CB 4.34Å; F21-L56 HydrophobicContact CZ-CD1 4.41Å; E52-L56 PolarHBondContact O-N 3.33Å; F53-L56 PolarHBondContact O-N 2.92Å; E54-L56 PolarHBondContact O-N 3.29Å; L56-Y58 VanDerWaalsContact C-N 3.31Å; L56-Y58 PolarHBondContact O-N 2.87Å; L56-C59 WeakPolarHBondContact O-CB 3.43Å; L56-C59 PolarHBondContact O-N 2.94Å; L56-L60 WeakPolarHBondContact O-CG 3.48Å; L56-L60 PolarHBondContact O-N 3.25Å |
| 57 | L | 94.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 176.4 | -174.7 | 58 | 0 | 0 | 0 | 111.2 | F53 E54 C59 L60 L61 L74 I77 F101 F104 L123 | F53-L57 HydrophobicContact CE1-CD2 4.25Å; F53-L57 WeakPolarHBondContact O-CB 3.43Å; F53-L57 PolarHBondContact O-N 3.43Å; E54-L57 PolarHBondContact O-N 3.19Å; L57-C59 PolarHBondContact O-N 3.38Å; L57-L60 PolarHBondContact O-N 3.15Å; L57-L61 HydrophobicContact CD1-CG 4.49Å; L57-L61 HydrophobicContact CG-CD1 4.34Å; L57-L61 HydrophobicContact CG-CG 4.49Å; L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 VanDerWaalsContact O-CG 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 3.49Å; L57-L74 HydrophobicContact CD1-CD2 3.96Å; L57-I77 HydrophobicContact CD1-CG1 4.4Å; L57-I77 HydrophobicContact CD1-CG2 4.2Å; L57-F101 HydrophobicContact CD2-CD2 3.95Å; L57-F101 HydrophobicContact CD2-CE2 3.83Å; L57-F104 HydrophobicContact CB-CE1 4.31Å; L57-F104 HydrophobicContact CD2-CD1 3.69Å; L57-F104 HydrophobicContact CD2-CE1 3.58Å; L57-F104 HydrophobicContact CG-CD1 4.41Å; L57-F104 HydrophobicContact CG-CE1 3.78Å; L57-L123 HydrophobicContact CD1-CD1 3.98Å |
| 58 | Y | 93.2 | Very high | 90.5 | Very high | 115 Ų | 115 | 57.2 Ų | 57.2 | 45% | 0.451 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 173.8 | -173 | -105.4 | 0 | 0 | 0 | 112 | E54 K55 L56 L60 L61 M62 F104 | E54-Y58 WeakPolarHBondContact O-CB 3.38Å; E54-Y58 PolarHBondContact O-N 3.43Å; K55-Y58 PolarHBondContact O-N 3.48Å; L56-Y58 VanDerWaalsContact C-N 3.31Å; L56-Y58 PolarHBondContact O-N 2.87Å; Y58-L60 VanDerWaalsContact C-N 3.35Å; Y58-L60 PolarHBondContact O-N 3.29Å; Y58-L61 PolarHBondContact O-N 2.78Å; Y58-M62 HydrophobicContact CD1-CE 3.36Å; Y58-M62 HydrophobicContact CD1-SD 4.03Å; Y58-M62 HydrophobicContact CE1-CE 3.1Å; Y58-M62 HydrophobicContact CE1-CG 4.25Å; Y58-M62 HydrophobicContact CE1-SD 3.31Å; Y58-M62 WeakPolarHBondContact CE1-SD 3.23Å; Y58-M62 HydrophobicContact CE2-SD 4.32Å; Y58-M62 HydrophobicContact CG-CE 4.37Å; Y58-M62 WeakPolarHBondContact O-CG 3.36Å; Y58-M62 PolarHBondContact O-N 2.7Å; Y58-F104 HydrophobicContact CD2-CZ 4.26Å |
| 59 | C | 92.6 | Very high | 90.6 | Very high | 78 Ų | 78 | 61.1 Ų | 61.1 | 53% | 0.527 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 175.2 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | K55 L56 L57 M62 A63 | K55-C59 PolarHBondContact O-N 3.29Å; K55-C59 PolarHBondContact O-SG 3.38Å; L56-C59 WeakPolarHBondContact O-CB 3.43Å; L56-C59 PolarHBondContact O-N 2.94Å; L57-C59 PolarHBondContact O-N 3.38Å; C59-M62 PolarHBondContact O-N 3.42Å; C59-A63 PolarHBondContact O-N 3.3Å; C59-A63 VanDerWaalsContact O-N 3.08Å |
| 60 | L | 94.3 | Very high | 90.6 | Very high | 21 Ų | 21 | 61.4 Ų | 61.4 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.5 | -68.8 | 171.5 | 0 | 0 | 0 | 112.1 | F21 L56 L57 Y58 M62 A63 A70 I73 L74 R119 | F21-L60 HydrophobicContact CD1-CD1 3.85Å; F21-L60 HydrophobicContact CE1-CD1 3.63Å; L56-L60 WeakPolarHBondContact O-CG 3.48Å; L56-L60 PolarHBondContact O-N 3.25Å; L57-L60 PolarHBondContact O-N 3.15Å; Y58-L60 VanDerWaalsContact C-N 3.35Å; Y58-L60 PolarHBondContact O-N 3.29Å; L60-M62 VanDerWaalsContact C-N 3.26Å; L60-M62 PolarHBondContact O-N 2.95Å; L60-A63 VanDerWaalsContact O-CB 3.23Å; L60-A63 WeakPolarHBondContact O-CB 3.31Å; L60-A63 PolarHBondContact O-N 2.77Å; L60-A63 VanDerWaalsContact O-N 3.14Å; L60-A70 HydrophobicContact CD2-CB 4.03Å; L60-I73 HydrophobicContact CD1-CB 4.22Å; L60-I73 HydrophobicContact CD1-CG2 3.51Å; L60-I73 HydrophobicContact CD2-CB 4.21Å; L60-I73 HydrophobicContact CD2-CD1 3.96Å; L60-I73 HydrophobicContact CD2-CG2 4.3Å; L60-L74 HydrophobicContact CB-CD1 4.46Å; L60-L74 HydrophobicContact CB-CD2 3.85Å; L60-L74 HydrophobicContact CB-CG 4.02Å; L60-R119 PolarHBondContact O-NH1 3.14Å |
| 61 | L | 95.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -34.1 | 176.9 | -72.6 | 177.7 | 0 | 0 | 0 | 111.9 | L57 Y58 L74 F104 T108 I116 R119 L123 | L57-L61 HydrophobicContact CD1-CG 4.49Å; L57-L61 HydrophobicContact CG-CD1 4.34Å; L57-L61 HydrophobicContact CG-CG 4.49Å; L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 VanDerWaalsContact O-CG 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 3.49Å; Y58-L61 PolarHBondContact O-N 2.78Å; L61-L74 HydrophobicContact CD2-CD2 4.04Å; L61-F104 HydrophobicContact CD1-CE1 3.68Å; L61-F104 HydrophobicContact CD1-CZ 4.06Å; L61-T108 HydrophobicContact CD1-CG2 3.86Å; L61-I116 HydrophobicContact CB-CG2 4.45Å; L61-R119 HydrophobicContact CD2-CB 3.58Å; L61-R119 PolarHBondContact O-NH1 2.94Å; L61-L123 HydrophobicContact CD2-CD1 3.97Å |
| 62 | M | 92.5 | Very high | 90.8 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -84.2 | -6.4 | 175.7 | -67.9 | -164.7 | -57.4 | 0 | 0 | 114.9 | Y58 C59 L60 I116 | Y58-M62 HydrophobicContact CD1-CE 3.36Å; Y58-M62 HydrophobicContact CD1-SD 4.03Å; Y58-M62 HydrophobicContact CE1-CE 3.1Å; Y58-M62 HydrophobicContact CE1-CG 4.25Å; Y58-M62 HydrophobicContact CE1-SD 3.31Å; Y58-M62 WeakPolarHBondContact CE1-SD 3.23Å; Y58-M62 HydrophobicContact CE2-SD 4.32Å; Y58-M62 HydrophobicContact CG-CE 4.37Å; Y58-M62 WeakPolarHBondContact O-CG 3.36Å; Y58-M62 PolarHBondContact O-N 2.7Å; C59-M62 PolarHBondContact O-N 3.42Å; L60-M62 VanDerWaalsContact C-N 3.26Å; L60-M62 PolarHBondContact O-N 2.95Å; M62-I116 HydrophobicContact CG-CD1 4.43Å |
| 63 | A | 92.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -56.9 | 152.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | C59 L60 A70 R119 | C59-A63 PolarHBondContact O-N 3.3Å; C59-A63 VanDerWaalsContact O-N 3.08Å; L60-A63 VanDerWaalsContact O-CB 3.23Å; L60-A63 WeakPolarHBondContact O-CB 3.31Å; L60-A63 PolarHBondContact O-N 2.77Å; L60-A63 VanDerWaalsContact O-N 3.14Å; A63-A70 HydrophobicContact CB-CB 3.53Å; A63-R119 VanDerWaalsContact O-CZ 3.32Å; A63-R119 PolarHBondContact O-NH1 3.24Å; A63-R119 PolarHBondContact O-NH2 2.77Å; A63-R119 VanDerWaalsContact O-NH2 3.09Å |
| 64 | R | 88.4 | Confident | 91 | Very high | 220 Ų | 220 | 65.4 Ų | 65.4 | 83% | 0.83 | 32% | 0.32 | S | S | * | . | trans | -61.2 | 154 | 178.8 | -62.5 | -179.4 | -173.9 | 167 | 1.8 | 111 | N66 C67 R119 | R64-N66 PolarHBondContact O-N 2.73Å; R64-N66 VanDerWaalsContact O-N 3.17Å; R64-C67 PolarHBondContact O-N 3.45Å; R64-R119 PolarHBondContact O-NH2 2.79Å | ||
| 65 | K | 82.6 | Confident | 91 | Very high | 123 Ų | 123 | 66.9 Ų | 66.9 | 54% | 0.535 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -38.9 | -175.8 | -173.4 | 177.7 | 174.7 | -177.1 | 0 | 113 | Q71 L115 | K65-Q71 PolarHBondContact O-NE2 2.81Å; K65-L115 HydrophobicContact CB-CD2 3.98Å; K65-L115 HydrophobicContact CG-CD1 4.39Å |
| 66 | N | 82.8 | Confident | 91.1 | Very high | 141 Ų | 141 | 62.9 Ų | 62.9 | 75% | 0.754 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 45.6 | -174.2 | -59.5 | -14.7 | 0 | 0 | 0 | 112.3 | R64 P68 | R64-N66 PolarHBondContact O-N 2.73Å; R64-N66 VanDerWaalsContact O-N 3.17Å; N66-P68 WeakPolarHBondContact O-CD 3.31Å |
| 67 | C | 90.5 | Very high | 91.2 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | trans | -106.9 | 95.9 | 171.2 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | R64 E69 A70 Q71 | R64-C67 PolarHBondContact O-N 3.45Å; C67-E69 PolarHBondContact O-N 3.05Å; C67-E69 PolarHBondContact SG-OE2 3.21Å; C67-A70 HydrophobicContact CB-CB 4.01Å; C67-A70 PolarHBondContact O-N 2.94Å; C67-A70 VanDerWaalsContact SG-CB 3.56Å; C67-A70 PolarHBondContact SG-N 3.05Å; C67-Q71 WeakPolarHBondContact O-CG 3.19Å; C67-Q71 PolarHBondContact O-N 3.32Å | ||
| 68 | P | 87.4 | Confident | 91.2 | Very high | 73 Ų | 73 | 61.3 Ų | 61.3 | 47% | 0.474 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.7 | -36.7 | -178.5 | -24.7 | 34.9 | 0 | 0 | 0 | 112.7 | N66 Q71 N72 | N66-P68 WeakPolarHBondContact O-CD 3.31Å; P68-Q71 PolarHBondContact O-N 3.44Å; P68-N72 WeakPolarHBondContact O-CB 3.35Å; P68-N72 VanDerWaalsContact O-CG 3.23Å; P68-N72 PolarHBondContact O-N 3.05Å |
| 69 | E | 89.5 | Confident | 91.2 | Very high | 91 Ų | 91 | 56.6 Ų | 56.6 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 179 | -55.6 | 80.8 | 179.8 | 0 | 0 | 110.6 | K25 C67 Q71 N72 I73 | K25-E69 HydrophobicContact CB-CB 4.34Å; K25-E69 HydrophobicContact CB-CG 4.49Å; K25-E69 HydrophobicContact CD-CB 4.48Å; K25-E69 HydrophobicContact CG-CB 4.17Å; C67-E69 PolarHBondContact O-N 3.05Å; C67-E69 PolarHBondContact SG-OE2 3.21Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.03Å; E69-N72 PolarHBondContact O-N 3.25Å; E69-I73 VanDerWaalsContact O-CG1 3.26Å; E69-I73 WeakPolarHBondContact O-CG1 3.29Å; E69-I73 PolarHBondContact O-N 2.92Å |
| 70 | A | 89.6 | Confident | 91.2 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L60 A63 C67 L74 | L60-A70 HydrophobicContact CD2-CB 4.03Å; A63-A70 HydrophobicContact CB-CB 3.53Å; C67-A70 HydrophobicContact CB-CB 4.01Å; C67-A70 PolarHBondContact O-N 2.94Å; C67-A70 VanDerWaalsContact SG-CB 3.56Å; C67-A70 PolarHBondContact SG-N 3.05Å; A70-L74 VanDerWaalsContact O-CB 3.3Å; A70-L74 WeakPolarHBondContact O-CB 3.47Å; A70-L74 VanDerWaalsContact O-CG 3.23Å; A70-L74 WeakPolarHBondContact O-CG 3.3Å; A70-L74 PolarHBondContact O-N 2.93Å |
| 71 | Q | 89.6 | Confident | 91.2 | Very high | 72 Ų | 72 | 51.9 Ų | 51.9 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 176 | -69.8 | -178.2 | 6.6 | 0 | 0 | 112.2 | K65 C67 P68 E69 K75 | K65-Q71 PolarHBondContact O-NE2 2.81Å; C67-Q71 WeakPolarHBondContact O-CG 3.19Å; C67-Q71 PolarHBondContact O-N 3.32Å; P68-Q71 PolarHBondContact O-N 3.44Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.03Å; Q71-K75 VanDerWaalsContact O-CG 3.25Å; Q71-K75 WeakPolarHBondContact O-CG 3.19Å; Q71-K75 PolarHBondContact O-N 3.34Å |
| 72 | N | 90.5 | Very high | 91 | Very high | 61 Ų | 61 | 51.9 Ų | 51.9 | 33% | 0.326 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 177 | -74.8 | -12.2 | 0 | 0 | 0 | 110.9 | K25 P68 E69 K75 L76 | K25-N72 PolarHBondContact O-ND2 3.28Å; P68-N72 WeakPolarHBondContact O-CB 3.35Å; P68-N72 VanDerWaalsContact O-CG 3.23Å; P68-N72 PolarHBondContact O-N 3.05Å; E69-N72 PolarHBondContact O-N 3.25Å; N72-K75 PolarHBondContact O-N 2.8Å; N72-L76 WeakPolarHBondContact O-CG 3.23Å; N72-L76 PolarHBondContact O-N 3.31Å |
| 73 | I | 93.3 | Very high | 91 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -51.1 | 176.7 | -60.9 | 163.5 | 0 | 0 | 0 | 109.9 | F21 L24 K25 L60 E69 K75 L76 I77 | F21-I73 HydrophobicContact CD1-CG2 3.84Å; F21-I73 HydrophobicContact CE1-CG2 4.25Å; F21-I73 HydrophobicContact CG-CG2 4.37Å; L24-I73 HydrophobicContact CB-CG1 4.04Å; L24-I73 HydrophobicContact CD1-CG2 4.44Å; K25-I73 HydrophobicContact CG-CD1 3.8Å; K25-I73 HydrophobicContact CG-CG1 4.31Å; L60-I73 HydrophobicContact CD1-CB 4.22Å; L60-I73 HydrophobicContact CD1-CG2 3.51Å; L60-I73 HydrophobicContact CD2-CB 4.21Å; L60-I73 HydrophobicContact CD2-CD1 3.96Å; L60-I73 HydrophobicContact CD2-CG2 4.3Å; E69-I73 VanDerWaalsContact O-CG1 3.26Å; E69-I73 WeakPolarHBondContact O-CG1 3.29Å; E69-I73 PolarHBondContact O-N 2.92Å; I73-K75 VanDerWaalsContact C-N 3.25Å; I73-K75 PolarHBondContact O-N 3.22Å; I73-L76 PolarHBondContact O-N 2.94Å; I73-I77 HydrophobicContact CG2-CD1 4.05Å; I73-I77 HydrophobicContact CG2-CG1 4.13Å; I73-I77 WeakPolarHBondContact O-CG1 3.42Å; I73-I77 PolarHBondContact O-N 3.43Å |
| 74 | L | 94.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56 | -37.5 | -179.2 | -78.7 | 169.4 | 0 | 0 | 0 | 113 | L57 L60 L61 A70 L76 P78 R119 L123 | L57-L74 HydrophobicContact CD1-CD2 3.96Å; L60-L74 HydrophobicContact CB-CD1 4.46Å; L60-L74 HydrophobicContact CB-CD2 3.85Å; L60-L74 HydrophobicContact CB-CG 4.02Å; L61-L74 HydrophobicContact CD2-CD2 4.04Å; A70-L74 VanDerWaalsContact O-CB 3.3Å; A70-L74 WeakPolarHBondContact O-CB 3.47Å; A70-L74 VanDerWaalsContact O-CG 3.23Å; A70-L74 WeakPolarHBondContact O-CG 3.3Å; A70-L74 PolarHBondContact O-N 2.93Å; L74-L76 VanDerWaalsContact C-N 3.25Å; L74-L76 PolarHBondContact O-N 3.46Å; L74-P78 WeakPolarHBondContact O-CD 3.25Å; L74-R119 HydrophobicContact CD1-CB 4.43Å; L74-R119 HydrophobicContact CD1-CG 4.04Å; L74-L123 HydrophobicContact CD2-CD1 4.21Å; L74-L123 HydrophobicContact CD2-CD2 4.23Å; L74-L123 WeakPolarHBondContact O-CD2 3.5Å |
| 75 | K | 92.1 | Very high | 91 | Very high | 100 Ų | 100 | 37.2 Ų | 37.2 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.7 | -29.7 | 176.7 | -75 | 169.6 | -176.6 | 177.7 | 0 | 113 | Q71 N72 I73 | Q71-K75 VanDerWaalsContact O-CG 3.25Å; Q71-K75 WeakPolarHBondContact O-CG 3.19Å; Q71-K75 PolarHBondContact O-N 3.34Å; N72-K75 PolarHBondContact O-N 2.8Å; I73-K75 VanDerWaalsContact C-N 3.25Å; I73-K75 PolarHBondContact O-N 3.22Å |
| 76 | L | 94.7 | Very high | 91.3 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -95.9 | -18.4 | -175.3 | -60.8 | 175.5 | 0 | 0 | 0 | 113.5 | L24 V30 N72 I73 L74 S79 I80 | L24-L76 HydrophobicContact CB-CD1 4.27Å; L24-L76 HydrophobicContact CD2-CD1 3.86Å; V30-L76 HydrophobicContact CG2-CB 4.19Å; V30-L76 HydrophobicContact CG2-CD2 3.96Å; N72-L76 WeakPolarHBondContact O-CG 3.23Å; N72-L76 PolarHBondContact O-N 3.31Å; I73-L76 PolarHBondContact O-N 2.94Å; L74-L76 VanDerWaalsContact C-N 3.25Å; L74-L76 PolarHBondContact O-N 3.46Å; L76-S79 PolarHBondContact O-N 2.76Å; L76-I80 PolarHBondContact O-N 3.18Å |
| 77 | I | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -52.6 | -47.2 | 178.6 | -72.6 | -59.2 | 0 | 0 | 0 | 112.7 | F21 F53 L57 I73 S79 I80 V81 F101 L123 | F21-I77 HydrophobicContact CE1-CD1 3.72Å; F21-I77 HydrophobicContact CE2-CD1 4.16Å; F21-I77 HydrophobicContact CZ-CD1 3.49Å; F21-I77 VanDerWaalsContact CZ-CD1 3.49Å; F53-I77 HydrophobicContact CE1-CG2 4.48Å; F53-I77 HydrophobicContact CE2-CD1 4.08Å; F53-I77 HydrophobicContact CZ-CD1 3.89Å; F53-I77 HydrophobicContact CZ-CG2 3.96Å; L57-I77 HydrophobicContact CD1-CG1 4.4Å; L57-I77 HydrophobicContact CD1-CG2 4.2Å; I73-I77 HydrophobicContact CG2-CD1 4.05Å; I73-I77 HydrophobicContact CG2-CG1 4.13Å; I73-I77 WeakPolarHBondContact O-CG1 3.42Å; I73-I77 PolarHBondContact O-N 3.43Å; I77-S79 PolarHBondContact O-N 3.22Å; I77-I80 WeakPolarHBondContact O-CB 3.43Å; I77-I80 PolarHBondContact O-N 3.04Å; I77-I80 VanDerWaalsContact O-N 3.15Å; I77-V81 HydrophobicContact CG2-CG2 4.2Å; I77-V81 WeakPolarHBondContact O-CG2 3.39Å; I77-V81 PolarHBondContact O-N 3.39Å; I77-F101 HydrophobicContact CG2-CE2 3.58Å; I77-F101 HydrophobicContact CG2-CZ 4.06Å; I77-L123 HydrophobicContact CB-CD2 4.01Å; I77-L123 HydrophobicContact CG2-CD2 4.06Å |
| 78 | P | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | -179.6 | -28 | 40.1 | 0 | 0 | 0 | 112.8 | L74 I80 V81 I82 F101 L123 T126 A127 | L74-P78 WeakPolarHBondContact O-CD 3.25Å; P78-I80 VanDerWaalsContact C-N 3.25Å; P78-I80 PolarHBondContact O-N 3.18Å; P78-V81 PolarHBondContact O-N 3.41Å; P78-V81 VanDerWaalsContact O-N 3.16Å; P78-I82 WeakPolarHBondContact O-CB 3.44Å; P78-I82 VanDerWaalsContact O-CG1 3.31Å; P78-I82 WeakPolarHBondContact O-CG1 3.27Å; P78-I82 PolarHBondContact O-N 3.27Å; P78-F101 HydrophobicContact CG-CZ 4.5Å; P78-L123 HydrophobicContact CG-CB 4.27Å; P78-L123 HydrophobicContact CG-CD2 3.62Å; P78-L123 WeakPolarHBondContact CG-O 3.28Å; P78-T126 HydrophobicContact CB-CG2 3.84Å; P78-T126 HydrophobicContact CG-CG2 4.02Å; P78-A127 HydrophobicContact CB-CB 3.99Å |
| 79 | S | 93.2 | Very high | 91.4 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -33.1 | 177.7 | -39.3 | 0 | 0 | 0 | 0 | 111.9 | L76 I77 G83 E130 | L76-S79 PolarHBondContact O-N 2.76Å; I77-S79 PolarHBondContact O-N 3.22Å; S79-G83 WeakPolarHBondContact O-CA 3.21Å; S79-G83 PolarHBondContact O-N 2.76Å; S79-E130 VanDerWaalsContact OG-CD 3.3Å; S79-E130 PolarHBondContact OG-OE1 2.74Å |
| 80 | I | 92.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.2 | -46.4 | 173.8 | -65.1 | 161.3 | 0 | 0 | 0 | 111 | L24 V30 V33 V34 L76 I77 P78 A84 | L24-I80 HydrophobicContact CD1-CD1 3.31Å; L24-I80 HydrophobicContact CD2-CD1 4.27Å; L24-I80 HydrophobicContact CG-CD1 4.41Å; V30-I80 HydrophobicContact CG1-CG1 4.19Å; V30-I80 HydrophobicContact CG2-CG1 4.45Å; V33-I80 HydrophobicContact CB-CD1 4.41Å; V33-I80 HydrophobicContact CG1-CD1 3.73Å; V33-I80 HydrophobicContact CG1-CG1 4.15Å; V33-I80 HydrophobicContact CG1-CG2 4.35Å; V34-I80 HydrophobicContact CG2-CB 4.33Å; V34-I80 HydrophobicContact CG2-CG1 4.42Å; V34-I80 HydrophobicContact CG2-CG2 4.2Å; L76-I80 PolarHBondContact O-N 3.18Å; I77-I80 WeakPolarHBondContact O-CB 3.43Å; I77-I80 PolarHBondContact O-N 3.04Å; I77-I80 VanDerWaalsContact O-N 3.15Å; P78-I80 VanDerWaalsContact C-N 3.25Å; P78-I80 PolarHBondContact O-N 3.18Å; I80-A84 VanDerWaalsContact O-CB 3.26Å; I80-A84 WeakPolarHBondContact O-CB 3.36Å; I80-A84 PolarHBondContact O-N 2.88Å |
| 81 | V | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -47.9 | -179.1 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | F53 I77 P78 H85 F97 C98 F101 | F53-V81 HydrophobicContact CE1-CG2 4.38Å; F53-V81 HydrophobicContact CZ-CG2 4.07Å; I77-V81 HydrophobicContact CG2-CG2 4.2Å; I77-V81 WeakPolarHBondContact O-CG2 3.39Å; I77-V81 PolarHBondContact O-N 3.39Å; P78-V81 PolarHBondContact O-N 3.41Å; P78-V81 VanDerWaalsContact O-N 3.16Å; V81-H85 WeakPolarHBondContact O-CB 3.42Å; V81-H85 PolarHBondContact O-N 3.45Å; V81-F97 HydrophobicContact CB-CD1 4.39Å; V81-F97 HydrophobicContact CB-CE1 4.02Å; V81-F97 HydrophobicContact CG1-CD1 4.02Å; V81-F97 HydrophobicContact CG1-CE1 4.08Å; V81-F97 HydrophobicContact CG2-CD1 4.39Å; V81-F97 HydrophobicContact CG2-CE1 3.62Å; V81-F97 HydrophobicContact CG2-CZ 4.1Å; V81-C98 HydrophobicContact CG1-CB 4.35Å; V81-F101 HydrophobicContact CB-CD1 4.34Å; V81-F101 HydrophobicContact CB-CG 4.35Å; V81-F101 HydrophobicContact CG1-CB 3.8Å; V81-F101 HydrophobicContact CG1-CD1 3.75Å; V81-F101 HydrophobicContact CG1-CD2 4.47Å; V81-F101 HydrophobicContact CG1-CE1 4.37Å; V81-F101 HydrophobicContact CG1-CG 3.78Å; V81-F101 HydrophobicContact CG2-CB 4.38Å; V81-F101 HydrophobicContact CG2-CD1 4.3Å; V81-F101 HydrophobicContact CG2-CD2 3.75Å; V81-F101 HydrophobicContact CG2-CE1 4.47Å; V81-F101 HydrophobicContact CG2-CE2 3.94Å; V81-F101 HydrophobicContact CG2-CG 3.91Å; V81-F101 HydrophobicContact CG2-CZ 4.27Å |
| 82 | I | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.2 | -38.2 | -179.7 | -58 | -50.5 | 0 | 0 | 0 | 110.9 | P78 H85 K86 F102 A127 E130 M131 L134 I136 | P78-I82 WeakPolarHBondContact O-CB 3.44Å; P78-I82 VanDerWaalsContact O-CG1 3.31Å; P78-I82 WeakPolarHBondContact O-CG1 3.27Å; P78-I82 PolarHBondContact O-N 3.27Å; I82-H85 WeakPolarHBondContact O-CB 3.27Å; I82-H85 PolarHBondContact O-N 3.38Å; I82-K86 PolarHBondContact O-N 3.09Å; I82-F102 HydrophobicContact CD1-CE2 4.41Å; I82-A127 HydrophobicContact CD1-CB 4.39Å; I82-A127 HydrophobicContact CG1-CB 4.34Å; I82-E130 HydrophobicContact CB-CB 4.06Å; I82-E130 HydrophobicContact CG1-CB 4.1Å; I82-E130 HydrophobicContact CG2-CB 4.07Å; I82-M131 HydrophobicContact CD1-CG 3.65Å; I82-M131 HydrophobicContact CD1-SD 4.03Å; I82-M131 HydrophobicContact CG1-CG 4.04Å; I82-M131 HydrophobicContact CG2-CG 4.01Å; I82-L134 HydrophobicContact CG2-CD1 3.78Å; I82-I136 HydrophobicContact CG2-CD1 3.4Å |
| 83 | G | 91.1 | Very high | 89.7 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 21% | 0.206 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S79 K86 A87 | S79-G83 WeakPolarHBondContact O-CA 3.21Å; S79-G83 PolarHBondContact O-N 2.76Å; G83-K86 PolarHBondContact O-N 3.22Å; G83-A87 PolarHBondContact O-N 3.38Å; G83-A87 VanDerWaalsContact O-N 3.08Å |
| 84 | A | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V34 F37 L38 I80 K86 A87 E88 F97 | V34-A84 HydrophobicContact CG1-CB 4.44Å; F37-A84 HydrophobicContact CD1-CB 4.28Å; L38-A84 HydrophobicContact CD2-CB 4.36Å; I80-A84 VanDerWaalsContact O-CB 3.26Å; I80-A84 WeakPolarHBondContact O-CB 3.36Å; I80-A84 PolarHBondContact O-N 2.88Å; A84-K86 PolarHBondContact O-N 2.89Å; A84-A87 PolarHBondContact O-N 2.68Å; A84-E88 WeakPolarHBondContact O-CB 3.26Å; A84-E88 WeakPolarHBondContact O-CG 3.15Å; A84-E88 PolarHBondContact O-N 2.71Å; A84-F97 HydrophobicContact CB-CD1 4.22Å |
| 85 | H | 90.2 | Very high | 87.4 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.8 | -47.2 | 175.9 | -177.8 | 63 | 0 | 0 | 0 | 112.1 | V81 I82 A87 E88 M89 S95 C98 | V81-H85 WeakPolarHBondContact O-CB 3.42Å; V81-H85 PolarHBondContact O-N 3.45Å; I82-H85 WeakPolarHBondContact O-CB 3.27Å; I82-H85 PolarHBondContact O-N 3.38Å; H85-A87 PolarHBondContact O-N 3.16Å; H85-E88 PolarHBondContact O-N 2.73Å; H85-M89 PolarHBondContact NE2-SD 3.25Å; H85-M89 VanDerWaalsContact NE2-SD 3.43Å; H85-M89 WeakPolarHBondContact O-CG 3.16Å; H85-M89 PolarHBondContact O-N 3.37Å; H85-S95 WeakPolarHBondContact ND1-CB 3.33Å; H85-S95 PolarHBondContact ND1-OG 2.86Å; H85-C98 HydrophobicContact CB-CB 3.86Å; H85-C98 WeakPolarHBondContact ND1-CB 3.46Å |
| 86 | K | 89.3 | Confident | 86.8 | Confident | 88 Ų | 88 | 45 Ų | 45 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.9 | -175.8 | 164.8 | -177.3 | 160.3 | 0 | 112.3 | I82 G83 A84 M89 A90 L134 I136 | I82-K86 PolarHBondContact O-N 3.09Å; G83-K86 PolarHBondContact O-N 3.22Å; A84-K86 PolarHBondContact O-N 2.89Å; K86-M89 PolarHBondContact O-N 3.46Å; K86-A90 WeakPolarHBondContact O-CB 3.21Å; K86-A90 PolarHBondContact O-N 2.71Å; K86-L134 HydrophobicContact CD-CB 3.99Å; K86-L134 HydrophobicContact CD-CD1 4.14Å; K86-L134 HydrophobicContact CD-CD2 3.94Å; K86-L134 HydrophobicContact CD-CG 4.25Å; K86-L134 PolarHBondContact NZ-O 3.28Å; K86-I136 HydrophobicContact CB-CD1 4.3Å |
| 87 | A | 89.3 | Confident | 86.3 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 22% | 0.223 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L38 G83 A84 H85 A90 E91 | L38-A87 HydrophobicContact CD1-CB 3.57Å; L38-A87 HydrophobicContact CD2-CB 4.39Å; G83-A87 PolarHBondContact O-N 3.38Å; G83-A87 VanDerWaalsContact O-N 3.08Å; A84-A87 PolarHBondContact O-N 2.68Å; H85-A87 PolarHBondContact O-N 3.16Å; A87-A90 PolarHBondContact O-N 3.31Å; A87-E91 PolarHBondContact O-N 3.48Å |
| 88 | E | 87.7 | Confident | 86 | Confident | 16 Ų | 16 | 43.9 Ų | 43.9 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 174.7 | -72.2 | 171.7 | 156.2 | 0 | 0 | 111.1 | L38 Q41 A84 H85 A90 E91 M92 M93 S95 | L38-E88 HydrophobicContact CD2-CG 3.9Å; Q41-E88 PolarHBondContact NE2-OE1 3.36Å; Q41-E88 PolarHBondContact OE1-OE1 3.2Å; A84-E88 WeakPolarHBondContact O-CB 3.26Å; A84-E88 WeakPolarHBondContact O-CG 3.15Å; A84-E88 PolarHBondContact O-N 2.71Å; H85-E88 PolarHBondContact O-N 2.73Å; E88-A90 VanDerWaalsContact C-N 3.35Å; E88-A90 PolarHBondContact O-N 3.2Å; E88-E91 CarbonylContact O-C 3.57Å; E88-E91 PolarHBondContact O-N 2.92Å; E88-M92 PolarHBondContact O-N 2.98Å; E88-M93 HydrophobicContact CB-CB 4.16Å; E88-M93 WeakPolarHBondContact O-CB 3.45Å; E88-M93 PolarHBondContact O-N 3.25Å; E88-S95 WeakPolarHBondContact OE2-CA 3.45Å; E88-S95 WeakPolarHBondContact OE2-CB 3.35Å; E88-S95 PolarHBondContact OE2-OG 3.39Å |
| 89 | M | 85 | Confident | 85.7 | Confident | 87 Ų | 87 | 46 Ų | 46 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 175.5 | -70.8 | -172.6 | 82.2 | 0 | 0 | 112.4 | H85 K86 E91 M92 | H85-M89 PolarHBondContact NE2-SD 3.25Å; H85-M89 VanDerWaalsContact NE2-SD 3.43Å; H85-M89 WeakPolarHBondContact O-CG 3.16Å; H85-M89 PolarHBondContact O-N 3.37Å; K86-M89 PolarHBondContact O-N 3.46Å; M89-E91 VanDerWaalsContact C-N 3.32Å; M89-E91 PolarHBondContact O-N 3.49Å; M89-M92 PolarHBondContact O-N 3.47Å; M89-M92 VanDerWaalsContact O-N 3.11Å |
| 90 | A | 87 | Confident | 85.5 | Confident | 83 Ų | 83 | 48.2 Ų | 48.2 | 69% | 0.686 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.1 | -33.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K86 A87 E88 M92 | K86-A90 WeakPolarHBondContact O-CB 3.21Å; K86-A90 PolarHBondContact O-N 2.71Å; A87-A90 PolarHBondContact O-N 3.31Å; E88-A90 VanDerWaalsContact C-N 3.35Å; E88-A90 PolarHBondContact O-N 3.2Å; A90-M92 PolarHBondContact O-N 3.22Å |
| 91 | E | 84.9 | Confident | 85.5 | Confident | 101 Ų | 101 | 48.2 Ų | 48.2 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 5.1 | 173.9 | -67.3 | -172.3 | 178.8 | 0 | 0 | 113.1 | K42 A87 E88 M89 M93 | K42-E91 WeakPolarHBondContact CE-OE2 3.05Å; K42-E91 IonicContact NZ-OE1 3.76Å; K42-E91 PolarHBondContact NZ-OE1 2.71Å; K42-E91 IonicContact NZ-OE2 3.9Å; K42-E91 PolarHBondContact NZ-OE2 3.29Å; A87-E91 PolarHBondContact O-N 3.48Å; E88-E91 CarbonylContact O-C 3.57Å; E88-E91 PolarHBondContact O-N 2.92Å; M89-E91 VanDerWaalsContact C-N 3.32Å; M89-E91 PolarHBondContact O-N 3.49Å; E91-M93 HydrophobicContact CB-CG 3.71Å; E91-M93 PolarHBondContact O-N 2.81Å; E91-M93 VanDerWaalsContact O-N 3.15Å |
| 92 | M | 79.2 | Confident | 85.5 | Confident | 180 Ų | 180 | 48.2 Ų | 48.2 | 89% | 0.887 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 27.8 | -172.8 | -59.1 | -176.7 | 172.1 | 0 | 0 | 113.4 | E88 M89 A90 | E88-M92 PolarHBondContact O-N 2.98Å; M89-M92 PolarHBondContact O-N 3.47Å; M89-M92 VanDerWaalsContact O-N 3.11Å; A90-M92 PolarHBondContact O-N 3.22Å |
| 93 | M | 72.3 | Confident | 85.4 | Confident | 89 Ų | 89 | 51.2 Ų | 51.2 | 44% | 0.438 | 29% | 0.288 | S | S | . | . | trans | -81.6 | 145.9 | 178.5 | -69.4 | -79.6 | -75.7 | 0 | 0 | 110.1 | E88 E91 S95 | E88-M93 HydrophobicContact CB-CB 4.16Å; E88-M93 WeakPolarHBondContact O-CB 3.45Å; E88-M93 PolarHBondContact O-N 3.25Å; E91-M93 HydrophobicContact CB-CG 3.71Å; E91-M93 PolarHBondContact O-N 2.81Å; E91-M93 VanDerWaalsContact O-N 3.15Å; M93-S95 PolarHBondContact O-N 3.47Å | ||
| 94 | P | 68.3 | Low | 85.6 | Confident | 119 Ų | 119 | 51 Ų | 51 | 77% | 0.773 | 28% | 0.281 | S | S | * | . | trans | -61.5 | 104.1 | 171.5 | -19.7 | 30.8 | 0 | 0 | 0 | 110.8 | S96 | P94-S96 PolarHBondContact O-N 3.37Š| ||
| 95 | S | 72.3 | Confident | 85.8 | Confident | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | trans | -90.1 | 93.6 | 177.8 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | H85 E88 M93 | H85-S95 WeakPolarHBondContact ND1-CB 3.33Å; H85-S95 PolarHBondContact ND1-OG 2.86Å; E88-S95 WeakPolarHBondContact OE2-CA 3.45Å; E88-S95 WeakPolarHBondContact OE2-CB 3.35Å; E88-S95 PolarHBondContact OE2-OG 3.39Å; M93-S95 PolarHBondContact O-N 3.47Å | ||
| 96 | S | 78 | Confident | 86.1 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 42% | 0.42 | 28% | 0.284 | S | S | . | . | trans | -95.2 | -10 | 170.2 | 63.7 | 0 | 0 | 0 | 0 | 113 | P94 C98 R100 | P94-S96 PolarHBondContact O-N 3.37Å; S96-C98 PolarHBondContact O-N 3.34Å; S96-R100 WeakPolarHBondContact O-CB 3.46Å; S96-R100 WeakPolarHBondContact O-CG 3.41Å; S96-R100 PolarHBondContact O-N 3.33Å | ||
| 97 | F | 84.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -46.9 | -172.4 | -171.9 | -118.6 | 0 | 0 | 0 | 112.2 | F37 Y50 F53 V81 A84 F101 | F37-F97 HydrophobicContact CD1-CE1 4.41Å; F37-F97 AromaticContact CE1-CD1 3.96Å; F37-F97 HydrophobicContact CE1-CD1 3.96Å; F37-F97 HydrophobicContact CE1-CD2 4.09Å; F37-F97 AromaticContact CE1-CE1 3.53Å; F37-F97 HydrophobicContact CE1-CE1 3.53Å; F37-F97 AromaticContact CE1-CE2 3.74Å; F37-F97 HydrophobicContact CE1-CE2 3.74Å; F37-F97 HydrophobicContact CE1-CG 4.24Å; F37-F97 AromaticContact CE1-CZ 3.46Å; F37-F97 HydrophobicContact CE1-CZ 3.46Å; F37-F97 VanDerWaalsContact CE1-CZ 3.46Å; F37-F97 HydrophobicContact CE2-CE2 4.48Å; F37-F97 HydrophobicContact CE2-CZ 4.19Å; F37-F97 HydrophobicContact CZ-CD2 4.07Å; F37-F97 AromaticContact CZ-CE1 3.83Å; F37-F97 HydrophobicContact CZ-CE1 3.83Å; F37-F97 AromaticContact CZ-CE2 3.35Å; F37-F97 HydrophobicContact CZ-CE2 3.35Å; F37-F97 AromaticContact CZ-CZ 3.22Å; F37-F97 HydrophobicContact CZ-CZ 3.22Å; Y50-F97 AromaticContact CD2-CD2 3.49Å; Y50-F97 HydrophobicContact CD2-CD2 3.49Å; Y50-F97 VanDerWaalsContact CD2-CD2 3.49Å; Y50-F97 AromaticContact CD2-CE2 3.5Å; Y50-F97 HydrophobicContact CD2-CE2 3.5Å; Y50-F97 VanDerWaalsContact CD2-CE2 3.5Å; Y50-F97 HydrophobicContact CE2-CD2 4.41Å; Y50-F97 HydrophobicContact CE2-CE2 4.31Å; Y50-F97 HydrophobicContact CG-CD2 4.28Å; Y50-F97 HydrophobicContact CG-CE2 4.36Å; F53-F97 HydrophobicContact CD1-CE2 4.11Å; F53-F97 AromaticContact CD1-CZ 3.97Å; F53-F97 HydrophobicContact CD1-CZ 3.97Å; F53-F97 HydrophobicContact CD2-CZ 4.09Å; F53-F97 HydrophobicContact CE1-CE2 4.44Å; F53-F97 AromaticContact CE1-CZ 3.9Å; F53-F97 HydrophobicContact CE1-CZ 3.9Å; F53-F97 AromaticContact CE2-CZ 3.99Å; F53-F97 HydrophobicContact CE2-CZ 3.99Å; F53-F97 HydrophobicContact CG-CE2 4.18Å; F53-F97 HydrophobicContact CG-CZ 4.06Å; F53-F97 AromaticContact CZ-CZ 3.9Å; F53-F97 HydrophobicContact CZ-CZ 3.9Å; V81-F97 HydrophobicContact CB-CD1 4.39Å; V81-F97 HydrophobicContact CB-CE1 4.02Å; V81-F97 HydrophobicContact CG1-CD1 4.02Å; V81-F97 HydrophobicContact CG1-CE1 4.08Å; V81-F97 HydrophobicContact CG2-CD1 4.39Å; V81-F97 HydrophobicContact CG2-CE1 3.62Å; V81-F97 HydrophobicContact CG2-CZ 4.1Å; A84-F97 HydrophobicContact CB-CD1 4.22Å; F97-F101 WeakPolarHBondContact O-CB 3.32Å; F97-F101 PolarHBondContact O-N 2.78Å |
| 98 | C | 89.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -51.4 | 178.7 | -168.4 | 0 | 0 | 0 | 0 | 112.5 | V81 H85 S96 R100 F101 F102 L141 | V81-C98 HydrophobicContact CG1-CB 4.35Å; H85-C98 HydrophobicContact CB-CB 3.86Å; H85-C98 WeakPolarHBondContact ND1-CB 3.46Å; S96-C98 PolarHBondContact O-N 3.34Å; C98-R100 VanDerWaalsContact C-N 3.31Å; C98-R100 PolarHBondContact O-N 2.89Å; C98-F101 WeakPolarHBondContact O-CB 3.48Å; C98-F101 PolarHBondContact O-N 3.18Å; C98-F101 VanDerWaalsContact O-N 3.17Å; C98-F102 WeakPolarHBondContact O-CD2 3.48Å; C98-F102 PolarHBondContact O-N 3.04Å; C98-L141 HydrophobicContact CB-CD2 4.07Å |
| 99 | S | 87.5 | Confident | 86.9 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 30% | 0.301 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 179.3 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | F102 E103 | S99-F102 PolarHBondContact O-N 2.98Å; S99-E103 WeakPolarHBondContact O-CB 3.38Å; S99-E103 PolarHBondContact O-N 3.43Å |
| 100 | R | 89.1 | Confident | 87.1 | Confident | 63 Ų | 63 | 51.3 Ų | 51.3 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 175.5 | -69.5 | 179.4 | 71.2 | 132.1 | 2.3 | 111.4 | Y50 S96 C98 F102 E103 F104 | Y50-R100 HydrophobicContact CD1-CB 4.08Å; Y50-R100 HydrophobicContact CD2-CB 3.86Å; Y50-R100 HydrophobicContact CE1-CB 3.67Å; Y50-R100 HydrophobicContact CE1-CG 4.46Å; Y50-R100 HydrophobicContact CE2-CB 3.49Å; Y50-R100 VanDerWaalsContact CE2-CB 3.49Å; Y50-R100 HydrophobicContact CG-CB 4.16Å; Y50-R100 VanDerWaalsContact CZ-CB 3.41Å; Y50-R100 PolarHBondContact OH-O 3.12Å; S96-R100 WeakPolarHBondContact O-CB 3.46Å; S96-R100 WeakPolarHBondContact O-CG 3.41Å; S96-R100 PolarHBondContact O-N 3.33Å; C98-R100 VanDerWaalsContact C-N 3.31Å; C98-R100 PolarHBondContact O-N 2.89Å; R100-F102 VanDerWaalsContact C-N 3.34Å; R100-F102 PolarHBondContact O-N 2.95Å; R100-E103 WeakPolarHBondContact O-CB 3.42Å; R100-E103 PolarHBondContact O-N 3.41Å; R100-E103 VanDerWaalsContact O-N 3.13Å; R100-F104 PolarHBondContact O-N 3.46Å |
| 101 | F | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.9 | -48.8 | 175.3 | 168.7 | -103 | 0 | 0 | 0 | 112.2 | Y50 F53 L57 I77 P78 V81 F97 C98 F104 I105 L123 A127 | Y50-F101 HydrophobicContact CE2-CB 4.32Å; Y50-F101 PolarHBondContact OH-N 3.09Å; F53-F101 HydrophobicContact CE1-CD2 4.43Å; L57-F101 HydrophobicContact CD2-CD2 3.95Å; L57-F101 HydrophobicContact CD2-CE2 3.83Å; I77-F101 HydrophobicContact CG2-CE2 3.58Å; I77-F101 HydrophobicContact CG2-CZ 4.06Å; P78-F101 HydrophobicContact CG-CZ 4.5Å; V81-F101 HydrophobicContact CB-CD1 4.34Å; V81-F101 HydrophobicContact CB-CG 4.35Å; V81-F101 HydrophobicContact CG1-CB 3.8Å; V81-F101 HydrophobicContact CG1-CD1 3.75Å; V81-F101 HydrophobicContact CG1-CD2 4.47Å; V81-F101 HydrophobicContact CG1-CE1 4.37Å; V81-F101 HydrophobicContact CG1-CG 3.78Å; V81-F101 HydrophobicContact CG2-CB 4.38Å; V81-F101 HydrophobicContact CG2-CD1 4.3Å; V81-F101 HydrophobicContact CG2-CD2 3.75Å; V81-F101 HydrophobicContact CG2-CE1 4.47Å; V81-F101 HydrophobicContact CG2-CE2 3.94Å; V81-F101 HydrophobicContact CG2-CG 3.91Å; V81-F101 HydrophobicContact CG2-CZ 4.27Å; F97-F101 WeakPolarHBondContact O-CB 3.32Å; F97-F101 PolarHBondContact O-N 2.78Å; C98-F101 WeakPolarHBondContact O-CB 3.48Å; C98-F101 PolarHBondContact O-N 3.18Å; C98-F101 VanDerWaalsContact O-N 3.17Å; F101-F104 PolarHBondContact O-N 2.92Å; F101-I105 HydrophobicContact CD1-CD1 3.89Å; F101-I105 HydrophobicContact CD2-CD1 3.93Å; F101-I105 HydrophobicContact CE1-CD1 3.38Å; F101-I105 HydrophobicContact CE2-CD1 3.43Å; F101-I105 VanDerWaalsContact CE2-CD1 3.43Å; F101-I105 HydrophobicContact CE2-CG1 4.34Å; F101-I105 HydrophobicContact CG-CD1 4.17Å; F101-I105 HydrophobicContact CZ-CD1 3.16Å; F101-I105 HydrophobicContact CZ-CG1 4.45Å; F101-I105 WeakPolarHBondContact O-CG1 3.44Å; F101-I105 PolarHBondContact O-N 3.03Å; F101-L123 HydrophobicContact CZ-CB 4.18Å; F101-A127 HydrophobicContact CE1-CB 4.36Å |
| 102 | F | 93.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.9 | -79.1 | -71.8 | 0 | 0 | 0 | 112.9 | I82 C98 S99 R100 F104 I105 F106 I124 A127 M131 L141 F145 | I82-F102 HydrophobicContact CD1-CE2 4.41Å; C98-F102 WeakPolarHBondContact O-CD2 3.48Å; C98-F102 PolarHBondContact O-N 3.04Å; S99-F102 PolarHBondContact O-N 2.98Å; R100-F102 VanDerWaalsContact C-N 3.34Å; R100-F102 PolarHBondContact O-N 2.95Å; F102-F104 VanDerWaalsContact C-N 3.34Å; F102-F104 PolarHBondContact O-N 3.26Å; F102-I105 PolarHBondContact O-N 3.17Å; F102-F106 HydrophobicContact CB-CZ 4.48Å; F102-F106 HydrophobicContact CD1-CE1 4.29Å; F102-F106 HydrophobicContact CD1-CZ 4.42Å; F102-F106 WeakPolarHBondContact O-CB 3.32Å; F102-F106 VanDerWaalsContact O-CG 3.24Å; F102-F106 WeakPolarHBondContact O-CG 3.13Å; F102-F106 PolarHBondContact O-N 2.94Å; F102-I124 HydrophobicContact CE1-CG1 4.44Å; F102-A127 HydrophobicContact CE1-CB 4.09Å; F102-A127 HydrophobicContact CZ-CB 3.66Å; F102-M131 HydrophobicContact CE2-SD 4.15Å; F102-M131 HydrophobicContact CZ-SD 4.03Å; F102-L141 HydrophobicContact CD2-CD1 3.89Å; F102-L141 HydrophobicContact CE2-CD1 3.66Å; F102-F145 HydrophobicContact CB-CE2 3.65Å; F102-F145 HydrophobicContact CB-CZ 4.37Å; F102-F145 AromaticContact CD1-CE2 3.94Å; F102-F145 HydrophobicContact CD1-CE2 3.94Å; F102-F145 AromaticContact CD1-CZ 3.8Å; F102-F145 HydrophobicContact CD1-CZ 3.8Å; F102-F145 AromaticContact CD2-CE2 3.73Å; F102-F145 HydrophobicContact CD2-CE2 3.73Å; F102-F145 AromaticContact CD2-CZ 3.83Å; F102-F145 HydrophobicContact CD2-CZ 3.83Å; F102-F145 AromaticContact CE1-CZ 3.93Å; F102-F145 HydrophobicContact CE1-CZ 3.93Å; F102-F145 HydrophobicContact CE2-CE2 4.32Å; F102-F145 AromaticContact CE2-CZ 3.96Å; F102-F145 HydrophobicContact CE2-CZ 3.96Å; F102-F145 AromaticContact CG-CE2 3.51Å; F102-F145 HydrophobicContact CG-CE2 3.51Å; F102-F145 AromaticContact CG-CZ 3.75Å; F102-F145 HydrophobicContact CG-CZ 3.75Å; F102-F145 HydrophobicContact CZ-CZ 4Å |
| 103 | E | 91.4 | Very high | 88.7 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 29% | 0.29 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 176.3 | -173.7 | 61.6 | -155.6 | 0 | 0 | 112 | S99 R100 F106 K107 R148 | S99-E103 WeakPolarHBondContact O-CB 3.38Å; S99-E103 PolarHBondContact O-N 3.43Å; R100-E103 WeakPolarHBondContact O-CB 3.42Å; R100-E103 PolarHBondContact O-N 3.41Å; R100-E103 VanDerWaalsContact O-N 3.13Å; E103-F106 PolarHBondContact O-N 2.94Å; E103-K107 WeakPolarHBondContact O-CG 3.39Å; E103-K107 PolarHBondContact O-N 3.36Å; E103-K107 WeakPolarHBondContact OE1-CE 3.38Å; E103-K107 IonicContact OE1-NZ 2.7Å; E103-K107 PolarHBondContact OE1-NZ 3.33Å; E103-R148 VanDerWaalsContact CD-NH2 3.34Å; E103-R148 IonicContact OE1-NH2 3.75Å; E103-R148 PolarHBondContact OE1-NH2 3.13Å; E103-R148 IonicContact OE2-CZ 3.88Å; E103-R148 IonicContact OE2-NH1 2.95Å; E103-R148 PolarHBondContact OE2-NH1 2.96Å; E103-R148 IonicContact OE2-NH2 3.29Å; E103-R148 PolarHBondContact OE2-NH2 3.39Å |
| 104 | F | 94.4 | Very high | 89.8 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.4 | 170.4 | -100.2 | 0 | 0 | 0 | 111.7 | Y50 E54 L57 Y58 L61 R100 F101 F102 K107 T108 | Y50-F104 WeakPolarHBondContact OH-CB 3.42Å; E54-F104 VanDerWaalsContact CD-CD2 3.44Å; E54-F104 HydrophobicContact CG-CB 4.46Å; E54-F104 HydrophobicContact CG-CD1 4.45Å; E54-F104 HydrophobicContact CG-CD2 3.33Å; E54-F104 HydrophobicContact CG-CE2 3.5Å; E54-F104 VanDerWaalsContact CG-CE2 3.5Å; E54-F104 HydrophobicContact CG-CG 3.84Å; E54-F104 HydrophobicContact CG-CZ 4.15Å; E54-F104 VanDerWaalsContact OE1-CD2 3.24Å; E54-F104 WeakPolarHBondContact OE1-CD2 3.41Å; L57-F104 HydrophobicContact CB-CE1 4.31Å; L57-F104 HydrophobicContact CD2-CD1 3.69Å; L57-F104 HydrophobicContact CD2-CE1 3.58Å; L57-F104 HydrophobicContact CG-CD1 4.41Å; L57-F104 HydrophobicContact CG-CE1 3.78Å; Y58-F104 HydrophobicContact CD2-CZ 4.26Å; L61-F104 HydrophobicContact CD1-CE1 3.68Å; L61-F104 HydrophobicContact CD1-CZ 4.06Å; R100-F104 PolarHBondContact O-N 3.46Å; F101-F104 PolarHBondContact O-N 2.92Å; F102-F104 VanDerWaalsContact C-N 3.34Å; F102-F104 PolarHBondContact O-N 3.26Å; F104-K107 PolarHBondContact O-N 2.97Å; F104-T108 VanDerWaalsContact O-CB 3.31Å; F104-T108 WeakPolarHBondContact O-CB 3.35Å; F104-T108 PolarHBondContact O-N 3.36Å; F104-T108 PolarHBondContact O-OG1 3.15Å |
| 105 | I | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.9 | -40.8 | 179.5 | -65.5 | 171.4 | 0 | 0 | 0 | 111.4 | F101 F102 K107 T108 A109 C120 L123 I124 | F101-I105 HydrophobicContact CD1-CD1 3.89Å; F101-I105 HydrophobicContact CD2-CD1 3.93Å; F101-I105 HydrophobicContact CE1-CD1 3.38Å; F101-I105 HydrophobicContact CE2-CD1 3.43Å; F101-I105 VanDerWaalsContact CE2-CD1 3.43Å; F101-I105 HydrophobicContact CE2-CG1 4.34Å; F101-I105 HydrophobicContact CG-CD1 4.17Å; F101-I105 HydrophobicContact CZ-CD1 3.16Å; F101-I105 HydrophobicContact CZ-CG1 4.45Å; F101-I105 WeakPolarHBondContact O-CG1 3.44Å; F101-I105 PolarHBondContact O-N 3.03Å; F102-I105 PolarHBondContact O-N 3.17Å; I105-K107 VanDerWaalsContact C-N 3.29Å; I105-K107 PolarHBondContact O-N 3.47Å; I105-T108 PolarHBondContact O-N 3.37Å; I105-A109 WeakPolarHBondContact O-CB 3.36Å; I105-A109 PolarHBondContact O-N 2.98Å; I105-C120 HydrophobicContact CG2-CB 3.72Å; I105-L123 HydrophobicContact CD1-CB 3.72Å; I105-L123 HydrophobicContact CD1-CD1 3.95Å; I105-L123 HydrophobicContact CD1-CG 4.48Å; I105-L123 HydrophobicContact CG1-CD1 4.38Å; I105-I124 HydrophobicContact CG2-CD1 3.62Å; I105-I124 HydrophobicContact CG2-CG1 3.75Å |
| 106 | F | 95 | Very high | 92.2 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 9% | 0.088 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 178.2 | -72.2 | -11.2 | 0 | 0 | 0 | 111.7 | F102 E103 I124 F145 R148 L149 L152 | F102-F106 HydrophobicContact CB-CZ 4.48Å; F102-F106 HydrophobicContact CD1-CE1 4.29Å; F102-F106 HydrophobicContact CD1-CZ 4.42Å; F102-F106 WeakPolarHBondContact O-CB 3.32Å; F102-F106 VanDerWaalsContact O-CG 3.24Å; F102-F106 WeakPolarHBondContact O-CG 3.13Å; F102-F106 PolarHBondContact O-N 2.94Å; E103-F106 PolarHBondContact O-N 2.94Å; F106-I124 HydrophobicContact CD1-CD1 4.29Å; F106-I124 HydrophobicContact CE1-CD1 4.22Å; F106-F145 HydrophobicContact CE2-CD2 4.15Å; F106-F145 AromaticContact CE2-CE2 3.99Å; F106-F145 HydrophobicContact CE2-CE2 3.99Å; F106-F145 HydrophobicContact CZ-CD2 4.3Å; F106-F145 AromaticContact CZ-CE2 3.79Å; F106-F145 HydrophobicContact CZ-CE2 3.79Å; F106-F145 HydrophobicContact CZ-CZ 4.14Å; F106-R148 HydrophobicContact CD2-CB 4.31Å; F106-R148 HydrophobicContact CE2-CB 3.92Å; F106-L149 HydrophobicContact CE1-CB 4.47Å; F106-L149 HydrophobicContact CE1-CD1 4.07Å; F106-L149 HydrophobicContact CZ-CB 3.99Å; F106-L149 HydrophobicContact CZ-CD1 4.33Å; F106-L152 HydrophobicContact CD1-CD2 3.46Å; F106-L152 VanDerWaalsContact CD1-CD2 3.46Å; F106-L152 HydrophobicContact CE1-CD2 3.9Å; F106-L152 HydrophobicContact CG-CD2 4.39Å |
| 107 | K | 92.9 | Very high | 93.1 | Very high | 136 Ų | 136 | 44.6 Ų | 44.6 | 59% | 0.591 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66.3 | -47.7 | 173.4 | -69.9 | 173.6 | -177.6 | 163.3 | 0 | 111.7 | E103 F104 I105 A109 A110 | E103-K107 WeakPolarHBondContact O-CG 3.39Å; E103-K107 PolarHBondContact O-N 3.36Å; E103-K107 WeakPolarHBondContact OE1-CE 3.38Å; E103-K107 IonicContact OE1-NZ 2.7Å; E103-K107 PolarHBondContact OE1-NZ 3.33Å; F104-K107 PolarHBondContact O-N 2.97Å; I105-K107 VanDerWaalsContact C-N 3.29Å; I105-K107 PolarHBondContact O-N 3.47Å; K107-A109 PolarHBondContact O-N 2.86Å; K107-A110 PolarHBondContact O-N 3.31Å |
| 108 | T | 95.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 9% | 0.092 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.3 | -28.8 | -174.1 | -52.6 | 0 | 0 | 0 | 0 | 112.7 | L61 F104 I105 A110 V111 I116 | L61-T108 HydrophobicContact CD1-CG2 3.86Å; F104-T108 VanDerWaalsContact O-CB 3.31Å; F104-T108 WeakPolarHBondContact O-CB 3.35Å; F104-T108 PolarHBondContact O-N 3.36Å; F104-T108 PolarHBondContact O-OG1 3.15Å; I105-T108 PolarHBondContact O-N 3.37Å; T108-A110 PolarHBondContact O-N 3.41Å; T108-A110 VanDerWaalsContact O-N 3.16Å; T108-V111 VanDerWaalsContact O-CG1 3.31Å; T108-V111 WeakPolarHBondContact O-CG1 3.31Å; T108-V111 VanDerWaalsContact O-CG2 3.23Å; T108-V111 WeakPolarHBondContact O-CG2 3.47Å; T108-V111 PolarHBondContact O-N 2.96Å; T108-I116 HydrophobicContact CG2-CG2 3.75Å |
| 109 | A | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | I105 K107 V111 R117 C120 L152 R156 | I105-A109 WeakPolarHBondContact O-CB 3.36Å; I105-A109 PolarHBondContact O-N 2.98Å; K107-A109 PolarHBondContact O-N 2.86Å; A109-V111 VanDerWaalsContact C-N 3.31Å; A109-V111 PolarHBondContact O-N 2.49Å; A109-R117 VanDerWaalsContact O-CD 3.27Å; A109-R117 WeakPolarHBondContact O-CD 3.26Å; A109-R117 WeakPolarHBondContact O-CG 3.43Å; A109-C120 HydrophobicContact CB-CB 3.86Å; A109-L152 HydrophobicContact CB-CD1 3.92Å; A109-L152 HydrophobicContact CB-CD2 4.11Å; A109-R156 PolarHBondContact O-NH1 3.16Å |
| 110 | A | 90.7 | Very high | 94.5 | Very high | 63 Ų | 63 | 46 Ų | 46 | 52% | 0.521 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -1.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | K107 T108 | K107-A110 PolarHBondContact O-N 3.31Å; T108-A110 PolarHBondContact O-N 3.41Å; T108-A110 VanDerWaalsContact O-N 3.16Å |
| 111 | V | 94.2 | Very high | 94.9 | Very high | 53 Ų | 53 | 43 Ų | 43 | 32% | 0.321 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -71 | 160.7 | -177.2 | -59 | 0 | 0 | 0 | 0 | 113.5 | T108 A109 N113 I116 R117 | T108-V111 VanDerWaalsContact O-CG1 3.31Å; T108-V111 WeakPolarHBondContact O-CG1 3.31Å; T108-V111 VanDerWaalsContact O-CG2 3.23Å; T108-V111 WeakPolarHBondContact O-CG2 3.47Å; T108-V111 PolarHBondContact O-N 2.96Å; A109-V111 VanDerWaalsContact C-N 3.31Å; A109-V111 PolarHBondContact O-N 2.49Å; V111-N113 PolarHBondContact O-N 2.93Å; V111-I116 HydrophobicContact CG2-CB 3.74Å; V111-I116 HydrophobicContact CG2-CD1 4.34Å; V111-I116 HydrophobicContact CG2-CG2 3.61Å; V111-R117 HydrophobicContact CG2-CG 4.38Å; V111-R117 WeakPolarHBondContact O-CD 3.37Å; V111-R117 VanDerWaalsContact O-CG 3.26Å; V111-R117 WeakPolarHBondContact O-CG 3.49Å; V111-R117 PolarHBondContact O-NH1 3.34Å |
| 112 | R | 93.9 | Very high | 95.1 | Very high | 243 Ų | 243 | 44.6 Ų | 44.6 | 92% | 0.917 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -69.4 | -26 | -178.6 | -65.8 | -176.2 | -179.7 | 180 | 0.3 | 114.5 | S114 R117 | R112-S114 PolarHBondContact O-N 2.73Å; R112-R117 PolarHBondContact O-NH1 3.42Å |
| 113 | N | 95.4 | Very high | 95.3 | Very high | 84 Ų | 84 | 44.6 Ų | 44.6 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | trans | -76.5 | 117.4 | -176.9 | -175.1 | -45.7 | 0 | 0 | 0 | 111.6 | V111 L115 I116 R117 | V111-N113 PolarHBondContact O-N 2.93Å; N113-L115 VanDerWaalsContact C-N 3.35Å; N113-L115 PolarHBondContact O-N 2.88Å; N113-L115 WeakPolarHBondContact OD1-CB 3.38Å; N113-L115 PolarHBondContact OD1-N 3.18Å; N113-I116 HydrophobicContact CB-CB 4.25Å; N113-I116 HydrophobicContact CB-CD1 3.86Å; N113-I116 HydrophobicContact CB-CG1 3.96Å; N113-I116 PolarHBondContact O-N 2.71Å; N113-I116 PolarHBondContact OD1-N 2.9Å; N113-R117 WeakPolarHBondContact O-CG 3.49Å; N113-R117 PolarHBondContact O-N 3.25Å; N113-R117 VanDerWaalsContact O-N 3.09Å | ||
| 114 | S | 95.8 | Very high | 95.6 | Very high | 38 Ų | 38 | 41.6 Ų | 41.6 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.9 | -32.1 | -175.5 | 70.8 | 0 | 0 | 0 | 0 | 114 | R112 R117 Y118 D161 | R112-S114 PolarHBondContact O-N 2.73Å; S114-R117 PolarHBondContact O-N 3.23Å; S114-Y118 WeakPolarHBondContact O-CB 3.32Å; S114-Y118 PolarHBondContact O-N 2.9Å; S114-D161 WeakPolarHBondContact CB-OD2 3.44Å; S114-D161 PolarHBondContact OG-OD2 3Å |
| 115 | L | 94.5 | Very high | 95.7 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 23% | 0.225 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 176.1 | 178.5 | 63.1 | 0 | 0 | 0 | 111.3 | K65 N113 Y118 R119 | K65-L115 HydrophobicContact CB-CD2 3.98Å; K65-L115 HydrophobicContact CG-CD1 4.39Å; N113-L115 VanDerWaalsContact C-N 3.35Å; N113-L115 PolarHBondContact O-N 2.88Å; N113-L115 WeakPolarHBondContact OD1-CB 3.38Å; N113-L115 PolarHBondContact OD1-N 3.18Å; L115-Y118 PolarHBondContact O-N 3.42Å; L115-R119 HydrophobicContact CD1-CG 4.49Å; L115-R119 WeakPolarHBondContact O-CG 3.48Å; L115-R119 PolarHBondContact O-N 3.15Å |
| 116 | I | 96.2 | Very high | 95.7 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 12% | 0.118 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -47 | 176.2 | -59.6 | 179.7 | 0 | 0 | 0 | 109.5 | L61 M62 T108 V111 N113 Y118 R119 C120 | L61-I116 HydrophobicContact CB-CG2 4.45Å; M62-I116 HydrophobicContact CG-CD1 4.43Å; T108-I116 HydrophobicContact CG2-CG2 3.75Å; V111-I116 HydrophobicContact CG2-CB 3.74Å; V111-I116 HydrophobicContact CG2-CD1 4.34Å; V111-I116 HydrophobicContact CG2-CG2 3.61Å; N113-I116 HydrophobicContact CB-CB 4.25Å; N113-I116 HydrophobicContact CB-CD1 3.86Å; N113-I116 HydrophobicContact CB-CG1 3.96Å; N113-I116 PolarHBondContact O-N 2.71Å; N113-I116 PolarHBondContact OD1-N 2.9Å; I116-Y118 VanDerWaalsContact C-N 3.34Å; I116-Y118 PolarHBondContact O-N 3.32Å; I116-R119 PolarHBondContact O-N 2.85Å; I116-C120 WeakPolarHBondContact O-CB 3.25Å; I116-C120 PolarHBondContact O-N 3.47Å; I116-C120 PolarHBondContact O-SG 3.13Å; I116-C120 VanDerWaalsContact O-SG 3.37Å |
| 117 | R | 97.1 | Very high | 95.7 | Very high | 32 Ų | 32 | 41.8 Ų | 41.8 | 12% | 0.121 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.7 | -48.2 | 175.5 | -62.4 | -156.3 | -67.4 | -84.3 | -1.9 | 111.9 | A109 V111 R112 N113 S114 R119 C120 L121 D159 V164 | A109-R117 VanDerWaalsContact O-CD 3.27Å; A109-R117 WeakPolarHBondContact O-CD 3.26Å; A109-R117 WeakPolarHBondContact O-CG 3.43Å; V111-R117 HydrophobicContact CG2-CG 4.38Å; V111-R117 WeakPolarHBondContact O-CD 3.37Å; V111-R117 VanDerWaalsContact O-CG 3.26Å; V111-R117 WeakPolarHBondContact O-CG 3.49Å; V111-R117 PolarHBondContact O-NH1 3.34Å; R112-R117 PolarHBondContact O-NH1 3.42Å; N113-R117 WeakPolarHBondContact O-CG 3.49Å; N113-R117 PolarHBondContact O-N 3.25Å; N113-R117 VanDerWaalsContact O-N 3.09Å; S114-R117 PolarHBondContact O-N 3.23Å; R117-R119 PolarHBondContact O-N 3.19Å; R117-C120 WeakPolarHBondContact O-CB 3.47Å; R117-C120 PolarHBondContact O-N 3.26Å; R117-L121 WeakPolarHBondContact O-CB 3.15Å; R117-L121 WeakPolarHBondContact O-CD1 3.39Å; R117-L121 WeakPolarHBondContact O-CG 3.38Å; R117-L121 PolarHBondContact O-N 3.08Å; R117-D159 IonicContact CZ-OD1 3.18Å; R117-D159 IonicContact CZ-OD2 3.24Å; R117-D159 VanDerWaalsContact CZ-OD2 3.32Å; R117-D159 IonicContact NE-OD1 3.22Å; R117-D159 IonicContact NE-OD2 3.77Å; R117-D159 PolarHBondContact NE-OD2 3.46Å; R117-D159 IonicContact NH2-OD1 3.32Å; R117-D159 PolarHBondContact NH2-OD1 2.86Å; R117-D159 IonicContact NH2-OD2 2.76Å; R117-D159 PolarHBondContact NH2-OD2 3.45Å; R117-V164 HydrophobicContact CB-CG2 4.2Å |
| 118 | Y | 96.3 | Very high | 95.8 | Very high | 71 Ų | 71 | 35.6 Ų | 35.6 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 177.3 | 169.7 | -100.3 | 0 | 0 | 0 | 112 | S114 L115 I116 L121 Q122 K163 I167 | S114-Y118 WeakPolarHBondContact O-CB 3.32Å; S114-Y118 PolarHBondContact O-N 2.9Å; L115-Y118 PolarHBondContact O-N 3.42Å; I116-Y118 VanDerWaalsContact C-N 3.34Å; I116-Y118 PolarHBondContact O-N 3.32Å; Y118-L121 PolarHBondContact O-N 3.27Å; Y118-Q122 WeakPolarHBondContact O-CB 3.32Å; Y118-Q122 PolarHBondContact O-N 3.02Å; Y118-K163 HydrophobicContact CD2-CB 3.92Å; Y118-K163 WeakPolarHBondContact CD2-O 3.14Å; Y118-K163 HydrophobicContact CE2-CB 4.2Å; Y118-I167 HydrophobicContact CD2-CB 4.38Å; Y118-I167 HydrophobicContact CD2-CG2 3.87Å; Y118-I167 HydrophobicContact CE2-CB 4.18Å; Y118-I167 HydrophobicContact CE2-CG2 4.18Å |
| 119 | R | 97 | Very high | 95.8 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 178.4 | -73.5 | 172.2 | 170.6 | 166.7 | -1.1 | 112.4 | L60 L61 A63 R64 L74 L115 I116 R117 L121 Q122 L123 | L60-R119 PolarHBondContact O-NH1 3.14Å; L61-R119 HydrophobicContact CD2-CB 3.58Å; L61-R119 PolarHBondContact O-NH1 2.94Å; A63-R119 VanDerWaalsContact O-CZ 3.32Å; A63-R119 PolarHBondContact O-NH1 3.24Å; A63-R119 PolarHBondContact O-NH2 2.77Å; A63-R119 VanDerWaalsContact O-NH2 3.09Å; R64-R119 PolarHBondContact O-NH2 2.79Å; L74-R119 HydrophobicContact CD1-CB 4.43Å; L74-R119 HydrophobicContact CD1-CG 4.04Å; L115-R119 HydrophobicContact CD1-CG 4.49Å; L115-R119 WeakPolarHBondContact O-CG 3.48Å; L115-R119 PolarHBondContact O-N 3.15Å; I116-R119 PolarHBondContact O-N 2.85Å; R117-R119 PolarHBondContact O-N 3.19Å; R119-L121 VanDerWaalsContact C-N 3.3Å; R119-L121 PolarHBondContact O-N 2.96Å; R119-Q122 WeakPolarHBondContact O-CB 3.46Å; R119-Q122 PolarHBondContact O-N 3.11Å; R119-L123 VanDerWaalsContact O-CG 3.32Å; R119-L123 WeakPolarHBondContact O-CG 3.47Å; R119-L123 PolarHBondContact O-N 3.19Å |
| 120 | C | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 172.8 | -75.2 | 0 | 0 | 0 | 0 | 111.9 | I105 A109 I116 R117 L123 I124 | I105-C120 HydrophobicContact CG2-CB 3.72Å; A109-C120 HydrophobicContact CB-CB 3.86Å; I116-C120 WeakPolarHBondContact O-CB 3.25Å; I116-C120 PolarHBondContact O-N 3.47Å; I116-C120 PolarHBondContact O-SG 3.13Å; I116-C120 VanDerWaalsContact O-SG 3.37Å; R117-C120 WeakPolarHBondContact O-CB 3.47Å; R117-C120 PolarHBondContact O-N 3.26Å; C120-L123 WeakPolarHBondContact O-CB 3.32Å; C120-L123 PolarHBondContact O-N 3.45Å; C120-I124 PolarHBondContact O-N 3.14Å |
| 121 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.5 | -29.1 | 178.9 | -69.2 | 160.4 | 0 | 0 | 0 | 112.7 | R117 Y118 R119 I124 S125 L153 R156 V164 I167 V168 | R117-L121 WeakPolarHBondContact O-CB 3.15Å; R117-L121 WeakPolarHBondContact O-CD1 3.39Å; R117-L121 WeakPolarHBondContact O-CG 3.38Å; R117-L121 PolarHBondContact O-N 3.08Å; Y118-L121 PolarHBondContact O-N 3.27Å; R119-L121 VanDerWaalsContact C-N 3.3Å; R119-L121 PolarHBondContact O-N 2.96Å; L121-I124 HydrophobicContact CD2-CD1 4.25Å; L121-I124 PolarHBondContact O-N 2.97Å; L121-S125 VanDerWaalsContact O-CB 3.26Å; L121-S125 WeakPolarHBondContact O-CB 3.47Å; L121-S125 PolarHBondContact O-N 2.92Å; L121-L153 HydrophobicContact CD2-CD2 3.71Å; L121-R156 HydrophobicContact CD1-CB 3.98Å; L121-R156 HydrophobicContact CD1-CG 4.07Å; L121-R156 HydrophobicContact CD2-CB 4.47Å; L121-R156 HydrophobicContact CD2-CG 4.48Å; L121-V164 HydrophobicContact CD1-CG1 3.49Å; L121-V164 VanDerWaalsContact CD1-CG1 3.49Å; L121-I167 HydrophobicContact CB-CG1 4.47Å; L121-I167 HydrophobicContact CB-CG2 3.69Å; L121-I167 HydrophobicContact CD1-CG2 4.46Å; L121-V168 HydrophobicContact CD1-CG2 3.75Å; L121-V168 HydrophobicContact CD2-CG2 4.09Å; L121-V168 HydrophobicContact CG-CG2 4.44Å |
| 122 | Q | 96.4 | Very high | 95.6 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 15% | 0.15 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 168.1 | -176.1 | -179.2 | 25.2 | 0 | 0 | 110.7 | Y118 R119 S125 T126 | Y118-Q122 WeakPolarHBondContact O-CB 3.32Å; Y118-Q122 PolarHBondContact O-N 3.02Å; R119-Q122 WeakPolarHBondContact O-CB 3.46Å; R119-Q122 PolarHBondContact O-N 3.11Å; Q122-S125 PolarHBondContact O-N 3.49Å; Q122-T126 PolarHBondContact O-N 3.21Å; Q122-T126 PolarHBondContact O-OG1 3.42Å |
| 123 | L | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 175.4 | -68.5 | 171.9 | 0 | 0 | 0 | 111.6 | L57 L61 L74 I77 P78 F101 I105 R119 C120 A127 | L57-L123 HydrophobicContact CD1-CD1 3.98Å; L61-L123 HydrophobicContact CD2-CD1 3.97Å; L74-L123 HydrophobicContact CD2-CD1 4.21Å; L74-L123 HydrophobicContact CD2-CD2 4.23Å; L74-L123 WeakPolarHBondContact O-CD2 3.5Å; I77-L123 HydrophobicContact CB-CD2 4.01Å; I77-L123 HydrophobicContact CG2-CD2 4.06Å; P78-L123 HydrophobicContact CG-CB 4.27Å; P78-L123 HydrophobicContact CG-CD2 3.62Å; P78-L123 WeakPolarHBondContact CG-O 3.28Å; F101-L123 HydrophobicContact CZ-CB 4.18Å; I105-L123 HydrophobicContact CD1-CB 3.72Å; I105-L123 HydrophobicContact CD1-CD1 3.95Å; I105-L123 HydrophobicContact CD1-CG 4.48Å; I105-L123 HydrophobicContact CG1-CD1 4.38Å; R119-L123 VanDerWaalsContact O-CG 3.32Å; R119-L123 WeakPolarHBondContact O-CG 3.47Å; R119-L123 PolarHBondContact O-N 3.19Å; C120-L123 WeakPolarHBondContact O-CB 3.32Å; C120-L123 PolarHBondContact O-N 3.45Å; L123-A127 VanDerWaalsContact O-CB 3.23Å; L123-A127 WeakPolarHBondContact O-CB 3.27Å; L123-A127 PolarHBondContact O-N 2.92Å |
| 124 | I | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.7 | -50.6 | 174.8 | -73.2 | 163.2 | 0 | 0 | 0 | 110.6 | F102 I105 F106 C120 L121 T126 A127 L128 L149 L152 | F102-I124 HydrophobicContact CE1-CG1 4.44Å; I105-I124 HydrophobicContact CG2-CD1 3.62Å; I105-I124 HydrophobicContact CG2-CG1 3.75Å; F106-I124 HydrophobicContact CD1-CD1 4.29Å; F106-I124 HydrophobicContact CE1-CD1 4.22Å; C120-I124 PolarHBondContact O-N 3.14Å; L121-I124 HydrophobicContact CD2-CD1 4.25Å; L121-I124 PolarHBondContact O-N 2.97Å; I124-T126 PolarHBondContact O-N 3.33Å; I124-A127 PolarHBondContact O-N 2.84Å; I124-L128 HydrophobicContact CG2-CD1 3.89Å; I124-L128 HydrophobicContact CG2-CG 4.27Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.39Å; I124-L128 PolarHBondContact O-N 3.49Å; I124-L149 HydrophobicContact CG2-CD1 3.65Å; I124-L152 HydrophobicContact CD1-CD2 3.58Å |
| 125 | S | 96.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.4 | -53.2 | -177.8 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | L121 Q122 A127 L128 H129 R174 | L121-S125 VanDerWaalsContact O-CB 3.26Å; L121-S125 WeakPolarHBondContact O-CB 3.47Å; L121-S125 PolarHBondContact O-N 2.92Å; Q122-S125 PolarHBondContact O-N 3.49Å; S125-A127 VanDerWaalsContact C-N 3.34Å; S125-A127 PolarHBondContact O-N 3.4Å; S125-L128 PolarHBondContact O-N 2.9Å; S125-H129 PolarHBondContact O-N 3.26Å; S125-R174 VanDerWaalsContact C-NH1 3.32Å; S125-R174 PolarHBondContact O-NH1 3.24Å; S125-R174 PolarHBondContact OG-NH1 2.91Å |
| 126 | T | 96 | Very high | 94.6 | Very high | 34 Ų | 34 | 33.6 Ų | 33.6 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | P78 Q122 I124 L128 H129 E130 | P78-T126 HydrophobicContact CB-CG2 3.84Å; P78-T126 HydrophobicContact CG-CG2 4.02Å; Q122-T126 PolarHBondContact O-N 3.21Å; Q122-T126 PolarHBondContact O-OG1 3.42Å; I124-T126 PolarHBondContact O-N 3.33Å; T126-L128 PolarHBondContact O-N 3.19Å; T126-H129 VanDerWaalsContact O-CB 3.22Å; T126-H129 WeakPolarHBondContact O-CB 3.24Å; T126-H129 PolarHBondContact O-N 3.46Å; T126-H129 VanDerWaalsContact O-N 3.08Å; T126-E130 HydrophobicContact CG2-CG 4.37Å; T126-E130 WeakPolarHBondContact O-CG 3.41Å; T126-E130 PolarHBondContact O-N 2.87Å |
| 127 | A | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P78 I82 F101 F102 L123 I124 S125 H129 E130 M131 | P78-A127 HydrophobicContact CB-CB 3.99Å; I82-A127 HydrophobicContact CD1-CB 4.39Å; I82-A127 HydrophobicContact CG1-CB 4.34Å; F101-A127 HydrophobicContact CE1-CB 4.36Å; F102-A127 HydrophobicContact CE1-CB 4.09Å; F102-A127 HydrophobicContact CZ-CB 3.66Å; L123-A127 VanDerWaalsContact O-CB 3.23Å; L123-A127 WeakPolarHBondContact O-CB 3.27Å; L123-A127 PolarHBondContact O-N 2.92Å; I124-A127 PolarHBondContact O-N 2.84Å; S125-A127 VanDerWaalsContact C-N 3.34Å; S125-A127 PolarHBondContact O-N 3.4Å; A127-H129 PolarHBondContact O-N 3.08Å; A127-E130 PolarHBondContact O-N 3.42Å; A127-M131 WeakPolarHBondContact O-CB 3.41Å; A127-M131 WeakPolarHBondContact O-CG 3.48Å; A127-M131 PolarHBondContact O-N 3Å |
| 128 | L | 94.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -31.5 | 175.9 | -65.5 | 174.5 | 0 | 0 | 0 | 112.3 | I124 S125 T126 A132 L138 L149 R174 I175 | I124-L128 HydrophobicContact CG2-CD1 3.89Å; I124-L128 HydrophobicContact CG2-CG 4.27Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.39Å; I124-L128 PolarHBondContact O-N 3.49Å; S125-L128 PolarHBondContact O-N 2.9Å; T126-L128 PolarHBondContact O-N 3.19Å; L128-A132 PolarHBondContact O-N 3.32Å; L128-L138 HydrophobicContact CD2-CD2 3.51Å; L128-L149 HydrophobicContact CD1-CD2 4.11Å; L128-L149 HydrophobicContact CD2-CD2 3.79Å; L128-R174 HydrophobicContact CB-CB 4.39Å; L128-I175 HydrophobicContact CD1-CG2 4.32Å |
| 129 | H | 93.6 | Very high | 91.9 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 32% | 0.324 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.1 | -54.9 | 173 | -172.4 | 29.9 | 0 | 0 | 0 | 111.3 | S125 T126 A127 M131 A132 E133 R174 | S125-H129 PolarHBondContact O-N 3.26Å; T126-H129 VanDerWaalsContact O-CB 3.22Å; T126-H129 WeakPolarHBondContact O-CB 3.24Å; T126-H129 PolarHBondContact O-N 3.46Å; T126-H129 VanDerWaalsContact O-N 3.08Å; A127-H129 PolarHBondContact O-N 3.08Å; H129-M131 PolarHBondContact O-N 2.98Å; H129-A132 WeakPolarHBondContact O-CB 3.23Å; H129-A132 PolarHBondContact O-N 3.18Å; H129-A132 VanDerWaalsContact O-N 3.08Å; H129-E133 IonicContact CE1-OE1 3.02Å; H129-E133 PolarHBondContact CE1-OE1 2.94Å; H129-E133 IonicContact ND1-OE1 3.67Å; H129-E133 WeakPolarHBondContact O-CG 3.38Å; H129-E133 PolarHBondContact O-N 3.43Å; H129-R174 VanDerWaalsContact CB-NH2 3.29Å |
| 130 | E | 94 | Very high | 90.8 | Very high | 47 Ų | 47 | 43.1 Ų | 43.1 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -37.9 | -177.9 | -62.8 | -69.2 | 171.5 | 0 | 0 | 110.9 | S79 I82 T126 A127 E133 L134 | S79-E130 VanDerWaalsContact OG-CD 3.3Å; S79-E130 PolarHBondContact OG-OE1 2.74Å; I82-E130 HydrophobicContact CB-CB 4.06Å; I82-E130 HydrophobicContact CG1-CB 4.1Å; I82-E130 HydrophobicContact CG2-CB 4.07Å; T126-E130 HydrophobicContact CG2-CG 4.37Å; T126-E130 WeakPolarHBondContact O-CG 3.41Å; T126-E130 PolarHBondContact O-N 2.87Å; A127-E130 PolarHBondContact O-N 3.42Å; E130-E133 PolarHBondContact O-N 3Å; E130-L134 VanDerWaalsContact O-CB 3.23Å; E130-L134 WeakPolarHBondContact O-CB 3.26Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.31Å; E130-L134 PolarHBondContact O-N 2.82Å |
| 131 | M | 92.7 | Very high | 90 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 174.7 | -71.8 | 177.7 | 74.7 | 0 | 0 | 112.1 | I82 F102 A127 H129 L134 S135 I136 L138 L141 | I82-M131 HydrophobicContact CD1-CG 3.65Å; I82-M131 HydrophobicContact CD1-SD 4.03Å; I82-M131 HydrophobicContact CG1-CG 4.04Å; I82-M131 HydrophobicContact CG2-CG 4.01Å; F102-M131 HydrophobicContact CE2-SD 4.15Å; F102-M131 HydrophobicContact CZ-SD 4.03Å; A127-M131 WeakPolarHBondContact O-CB 3.41Å; A127-M131 WeakPolarHBondContact O-CG 3.48Å; A127-M131 PolarHBondContact O-N 3Å; H129-M131 PolarHBondContact O-N 2.98Å; M131-L134 PolarHBondContact O-N 2.7Å; M131-S135 PolarHBondContact O-N 3.48Å; M131-S135 VanDerWaalsContact O-N 3.08Å; M131-I136 HydrophobicContact CB-CB 4.24Å; M131-I136 HydrophobicContact CE-CB 4.35Å; M131-I136 HydrophobicContact CE-CG2 3.76Å; M131-I136 HydrophobicContact CG-CB 4.37Å; M131-I136 PolarHBondContact O-N 3.5Å; M131-L138 HydrophobicContact CE-CD2 3.62Å; M131-L138 HydrophobicContact CE-CG 4.4Å; M131-L138 HydrophobicContact SD-CD2 4.02Å; M131-L141 HydrophobicContact CE-CD1 3.58Å; M131-L141 HydrophobicContact CE-CG 4.29Å; M131-L141 HydrophobicContact SD-CD1 4.15Å |
| 132 | A | 90.8 | Very high | 89.1 | Confident | 67 Ų | 67 | 45.4 Ų | 45.4 | 55% | 0.554 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66 | -45.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L128 H129 L134 S135 | L128-A132 PolarHBondContact O-N 3.32Å; H129-A132 WeakPolarHBondContact O-CB 3.23Å; H129-A132 PolarHBondContact O-N 3.18Å; H129-A132 VanDerWaalsContact O-N 3.08Å; A132-L134 PolarHBondContact O-N 3.13Å; A132-S135 PolarHBondContact O-N 2.83Å |
| 133 | E | 91.7 | Very high | 88.1 | Confident | 130 Ų | 130 | 51.9 Ų | 51.9 | 61% | 0.607 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.7 | -33.1 | 177.1 | -67.2 | -59 | 133.5 | 0 | 0 | 112.4 | H129 E130 | H129-E133 IonicContact CE1-OE1 3.02Å; H129-E133 PolarHBondContact CE1-OE1 2.94Å; H129-E133 IonicContact ND1-OE1 3.67Å; H129-E133 WeakPolarHBondContact O-CG 3.38Å; H129-E133 PolarHBondContact O-N 3.43Å; E130-E133 PolarHBondContact O-N 3Å |
| 134 | L | 90.3 | Very high | 87.6 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 5.2 | -178.3 | -66.5 | 174.2 | 0 | 0 | 0 | 114.1 | I82 K86 E130 M131 A132 I136 | I82-L134 HydrophobicContact CG2-CD1 3.78Å; K86-L134 HydrophobicContact CD-CB 3.99Å; K86-L134 HydrophobicContact CD-CD1 4.14Å; K86-L134 HydrophobicContact CD-CD2 3.94Å; K86-L134 HydrophobicContact CD-CG 4.25Å; K86-L134 PolarHBondContact NZ-O 3.28Å; E130-L134 VanDerWaalsContact O-CB 3.23Å; E130-L134 WeakPolarHBondContact O-CB 3.26Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.31Å; E130-L134 PolarHBondContact O-N 2.82Å; M131-L134 PolarHBondContact O-N 2.7Å; A132-L134 PolarHBondContact O-N 3.13Å; L134-I136 VanDerWaalsContact C-N 3.34Å; L134-I136 HydrophobicContact CB-CD1 3.92Å; L134-I136 HydrophobicContact CB-CG1 4.15Å; L134-I136 HydrophobicContact CD1-CD1 4.44Å; L134-I136 PolarHBondContact O-N 3.19Å |
| 135 | S | 88 | Confident | 87.2 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 76% | 0.762 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 40.5 | -178.3 | -52.2 | 0 | 0 | 0 | 0 | 114 | M131 A132 | M131-S135 PolarHBondContact O-N 3.48Å; M131-S135 VanDerWaalsContact O-N 3.08Å; A132-S135 PolarHBondContact O-N 2.83Å |
| 136 | I | 87 | Confident | 87 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 9% | 0.092 | 34% | 0.344 | C | S | . | . | trans | -93.5 | 114.4 | 177.7 | -60.1 | 164.7 | 0 | 0 | 0 | 109 | I82 K86 M131 L134 | I82-I136 HydrophobicContact CG2-CD1 3.4Å; K86-I136 HydrophobicContact CB-CD1 4.3Å; M131-I136 HydrophobicContact CB-CB 4.24Å; M131-I136 HydrophobicContact CE-CB 4.35Å; M131-I136 HydrophobicContact CE-CG2 3.76Å; M131-I136 HydrophobicContact CG-CB 4.37Å; M131-I136 PolarHBondContact O-N 3.5Å; L134-I136 VanDerWaalsContact C-N 3.34Å; L134-I136 HydrophobicContact CB-CD1 3.92Å; L134-I136 HydrophobicContact CB-CG1 4.15Å; L134-I136 HydrophobicContact CD1-CD1 4.44Å; L134-I136 PolarHBondContact O-N 3.19Å | ||
| 137 | E | 83 | Confident | 86.7 | Confident | 140 Ų | 140 | 62.5 Ų | 62.5 | 65% | 0.654 | 36% | 0.357 | S | S | * | . | trans | -70 | 133.5 | 178 | -64.5 | -178.4 | -172.7 | 0 | 0 | 112 | G139 N140 | E137-G139 PolarHBondContact O-N 3.37Å; E137-N140 WeakPolarHBondContact O-CB 3.23Å; E137-N140 PolarHBondContact O-N 2.99Å | ||
| 138 | L | 78.7 | Confident | 86.6 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -62.1 | -27.8 | -179.6 | -66.7 | 164.9 | 0 | 0 | 0 | 112.9 | L128 M131 N140 L141 F145 F146 I175 | L128-L138 HydrophobicContact CD2-CD2 3.51Å; M131-L138 HydrophobicContact CE-CD2 3.62Å; M131-L138 HydrophobicContact CE-CG 4.4Å; M131-L138 HydrophobicContact SD-CD2 4.02Å; L138-N140 PolarHBondContact O-N 2.99Å; L138-L141 PolarHBondContact O-N 3.45Å; L138-F145 HydrophobicContact CB-CD1 4.49Å; L138-F145 HydrophobicContact CD2-CD1 4.5Å; L138-F145 HydrophobicContact CD2-CE1 3.83Å; L138-F146 HydrophobicContact CD1-CD2 4.15Å; L138-F146 HydrophobicContact CD1-CE2 4.4Å; L138-I175 HydrophobicContact CD1-CG2 4.33Å |
| 139 | G | 72 | Confident | 86.6 | Confident | 57 Ų | 57 | 66.2 Ų | 66.2 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -62.2 | -24.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E137 L141 G142 | E137-G139 PolarHBondContact O-N 3.37Å; G139-L141 PolarHBondContact O-N 2.88Å; G139-G142 PolarHBondContact O-N 2.93Å |
| 140 | N | 74.3 | Confident | 86.7 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -71.1 | -9.8 | 179.9 | -66.5 | -19.8 | 0 | 0 | 0 | 113.4 | E137 L138 | E137-N140 WeakPolarHBondContact O-CB 3.23Å; E137-N140 PolarHBondContact O-N 2.99Å; L138-N140 PolarHBondContact O-N 2.99Å |
| 141 | L | 80.7 | Confident | 86.9 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -91.7 | 1.4 | -178.9 | -62.5 | -179.6 | 0 | 0 | 0 | 114.1 | C98 F102 M131 L138 G139 F145 | C98-L141 HydrophobicContact CB-CD2 4.07Å; F102-L141 HydrophobicContact CD2-CD1 3.89Å; F102-L141 HydrophobicContact CE2-CD1 3.66Å; M131-L141 HydrophobicContact CE-CD1 3.58Å; M131-L141 HydrophobicContact CE-CG 4.29Å; M131-L141 HydrophobicContact SD-CD1 4.15Å; L138-L141 PolarHBondContact O-N 3.45Å; G139-L141 PolarHBondContact O-N 2.88Å; L141-F145 HydrophobicContact CB-CB 4.11Å; L141-F145 HydrophobicContact CB-CD1 4.05Å; L141-F145 HydrophobicContact CB-CD2 3.72Å; L141-F145 HydrophobicContact CB-CE1 4.45Å; L141-F145 HydrophobicContact CB-CE2 4.14Å; L141-F145 HydrophobicContact CB-CG 3.67Å; L141-F145 HydrophobicContact CB-CZ 4.49Å; L141-F145 HydrophobicContact CD1-CD1 4.15Å; L141-F145 HydrophobicContact CD1-CD2 4.21Å; L141-F145 HydrophobicContact CD1-CE1 3.73Å; L141-F145 HydrophobicContact CD1-CE2 3.78Å; L141-F145 HydrophobicContact CD1-CG 4.39Å; L141-F145 HydrophobicContact CD1-CZ 3.52Å |
| 142 | G | 78.4 | Confident | 87.1 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | trans | 122 | 155.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G139 D144 F145 | G139-G142 PolarHBondContact O-N 2.93Å; G142-D144 VanDerWaalsContact C-N 3.26Å; G142-D144 PolarHBondContact O-N 3.23Å; G142-D144 VanDerWaalsContact O-N 3.09Å; G142-F145 VanDerWaalsContact O-CB 3.3Å; G142-F145 WeakPolarHBondContact O-CB 3.43Å; G142-F145 PolarHBondContact O-N 3.31Å | ||
| 143 | N | 76.6 | Confident | 87.4 | Confident | 168 Ų | 168 | 66.3 Ų | 66.3 | 90% | 0.898 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.9 | -167.9 | -64.1 | -5.4 | 0 | 0 | 0 | 114.7 | ||
| 144 | D | 86.6 | Confident | 87.8 | Confident | 102 Ų | 102 | 62.3 Ų | 62.3 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 9.1 | -176.5 | -56.2 | -15.7 | 0 | 0 | 0 | 113 | G142 F146 D147 R148 | G142-D144 VanDerWaalsContact C-N 3.26Å; G142-D144 PolarHBondContact O-N 3.23Å; G142-D144 VanDerWaalsContact O-N 3.09Å; D144-F146 PolarHBondContact O-N 3.22Å; D144-D147 PolarHBondContact O-N 2.98Å; D144-R148 HydrophobicContact CB-CG 4.5Å; D144-R148 WeakPolarHBondContact O-CB 3.22Å; D144-R148 VanDerWaalsContact O-CG 3.24Å; D144-R148 WeakPolarHBondContact O-CG 3.33Å; D144-R148 PolarHBondContact O-N 3.24Å |
| 145 | F | 90.2 | Very high | 88.1 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.3 | -49.6 | -172.4 | 178.1 | -93.5 | 0 | 0 | 0 | 111.8 | F102 F106 L138 L141 G142 D147 R148 L149 | F102-F145 HydrophobicContact CB-CE2 3.65Å; F102-F145 HydrophobicContact CB-CZ 4.37Å; F102-F145 AromaticContact CD1-CE2 3.94Å; F102-F145 HydrophobicContact CD1-CE2 3.94Å; F102-F145 AromaticContact CD1-CZ 3.8Å; F102-F145 HydrophobicContact CD1-CZ 3.8Å; F102-F145 AromaticContact CD2-CE2 3.73Å; F102-F145 HydrophobicContact CD2-CE2 3.73Å; F102-F145 AromaticContact CD2-CZ 3.83Å; F102-F145 HydrophobicContact CD2-CZ 3.83Å; F102-F145 AromaticContact CE1-CZ 3.93Å; F102-F145 HydrophobicContact CE1-CZ 3.93Å; F102-F145 HydrophobicContact CE2-CE2 4.32Å; F102-F145 AromaticContact CE2-CZ 3.96Å; F102-F145 HydrophobicContact CE2-CZ 3.96Å; F102-F145 AromaticContact CG-CE2 3.51Å; F102-F145 HydrophobicContact CG-CE2 3.51Å; F102-F145 AromaticContact CG-CZ 3.75Å; F102-F145 HydrophobicContact CG-CZ 3.75Å; F102-F145 HydrophobicContact CZ-CZ 4Å; F106-F145 HydrophobicContact CE2-CD2 4.15Å; F106-F145 AromaticContact CE2-CE2 3.99Å; F106-F145 HydrophobicContact CE2-CE2 3.99Å; F106-F145 HydrophobicContact CZ-CD2 4.3Å; F106-F145 AromaticContact CZ-CE2 3.79Å; F106-F145 HydrophobicContact CZ-CE2 3.79Å; F106-F145 HydrophobicContact CZ-CZ 4.14Å; L138-F145 HydrophobicContact CB-CD1 4.49Å; L138-F145 HydrophobicContact CD2-CD1 4.5Å; L138-F145 HydrophobicContact CD2-CE1 3.83Å; L141-F145 HydrophobicContact CB-CB 4.11Å; L141-F145 HydrophobicContact CB-CD1 4.05Å; L141-F145 HydrophobicContact CB-CD2 3.72Å; L141-F145 HydrophobicContact CB-CE1 4.45Å; L141-F145 HydrophobicContact CB-CE2 4.14Å; L141-F145 HydrophobicContact CB-CG 3.67Å; L141-F145 HydrophobicContact CB-CZ 4.49Å; L141-F145 HydrophobicContact CD1-CD1 4.15Å; L141-F145 HydrophobicContact CD1-CD2 4.21Å; L141-F145 HydrophobicContact CD1-CE1 3.73Å; L141-F145 HydrophobicContact CD1-CE2 3.78Å; L141-F145 HydrophobicContact CD1-CG 4.39Å; L141-F145 HydrophobicContact CD1-CZ 3.52Å; G142-F145 VanDerWaalsContact O-CB 3.3Å; G142-F145 WeakPolarHBondContact O-CB 3.43Å; G142-F145 PolarHBondContact O-N 3.31Å; F145-D147 PolarHBondContact O-N 2.81Å; F145-R148 PolarHBondContact O-N 2.93Å; F145-L149 HydrophobicContact CE1-CD2 4.13Å; F145-L149 WeakPolarHBondContact O-CB 3.21Å; F145-L149 PolarHBondContact O-N 3.3Å |
| 146 | F | 90.4 | Very high | 88.6 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 26% | 0.263 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.5 | -46.4 | -179.7 | -174.4 | -97.8 | 0 | 0 | 0 | 111.3 | L138 D144 R148 L149 T150 I175 | L138-F146 HydrophobicContact CD1-CD2 4.15Å; L138-F146 HydrophobicContact CD1-CE2 4.4Å; D144-F146 PolarHBondContact O-N 3.22Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 3.36Å; F146-L149 PolarHBondContact O-N 3.01Å; F146-T150 WeakPolarHBondContact O-CB 3.33Å; F146-T150 PolarHBondContact O-N 3.42Å; F146-T150 PolarHBondContact O-OG1 2.99Å; F146-I175 HydrophobicContact CE2-CB 3.95Å; F146-I175 HydrophobicContact CE2-CG2 4.24Å; F146-I175 HydrophobicContact CZ-CB 4.36Å |
| 147 | D | 91.6 | Very high | 89.1 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 179.1 | -71.2 | -15.3 | 0 | 0 | 0 | 113.1 | D144 F145 R151 | D144-D147 PolarHBondContact O-N 2.98Å; F145-D147 PolarHBondContact O-N 2.81Å; D147-R151 WeakPolarHBondContact O-CB 3.28Å; D147-R151 VanDerWaalsContact O-CG 3.27Å; D147-R151 WeakPolarHBondContact O-CG 3.46Å; D147-R151 PolarHBondContact O-N 3.48Å; D147-R151 PolarHBondContact O-NE 3.47Å |
| 148 | R | 93.4 | Very high | 89.8 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 32% | 0.321 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.9 | -43.1 | 175.9 | -71.2 | 176.4 | 67.7 | -161.8 | 2.1 | 111.4 | E103 F106 D144 F145 F146 L152 | E103-R148 VanDerWaalsContact CD-NH2 3.34Å; E103-R148 IonicContact OE1-NH2 3.75Å; E103-R148 PolarHBondContact OE1-NH2 3.13Å; E103-R148 IonicContact OE2-CZ 3.88Å; E103-R148 IonicContact OE2-NH1 2.95Å; E103-R148 PolarHBondContact OE2-NH1 2.96Å; E103-R148 IonicContact OE2-NH2 3.29Å; E103-R148 PolarHBondContact OE2-NH2 3.39Å; F106-R148 HydrophobicContact CD2-CB 4.31Å; F106-R148 HydrophobicContact CE2-CB 3.92Å; D144-R148 HydrophobicContact CB-CG 4.5Å; D144-R148 WeakPolarHBondContact O-CB 3.22Å; D144-R148 VanDerWaalsContact O-CG 3.24Å; D144-R148 WeakPolarHBondContact O-CG 3.33Å; D144-R148 PolarHBondContact O-N 3.24Å; F145-R148 PolarHBondContact O-N 2.93Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 3.36Å; R148-L152 WeakPolarHBondContact O-CB 3.32Å; R148-L152 PolarHBondContact O-N 3.09Å |
| 149 | L | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -50 | 175 | 176.5 | 62.1 | 0 | 0 | 0 | 110.7 | F106 I124 L128 F145 F146 L152 L153 I175 | F106-L149 HydrophobicContact CE1-CB 4.47Å; F106-L149 HydrophobicContact CE1-CD1 4.07Å; F106-L149 HydrophobicContact CZ-CB 3.99Å; F106-L149 HydrophobicContact CZ-CD1 4.33Å; I124-L149 HydrophobicContact CG2-CD1 3.65Å; L128-L149 HydrophobicContact CD1-CD2 4.11Å; L128-L149 HydrophobicContact CD2-CD2 3.79Å; F145-L149 HydrophobicContact CE1-CD2 4.13Å; F145-L149 WeakPolarHBondContact O-CB 3.21Å; F145-L149 PolarHBondContact O-N 3.3Å; F146-L149 PolarHBondContact O-N 3.01Å; L149-L152 WeakPolarHBondContact O-CB 3.27Å; L149-L152 PolarHBondContact O-N 2.87Å; L149-L153 HydrophobicContact CD1-CD1 3.94Å; L149-L153 HydrophobicContact CD1-CG 4.07Å; L149-L153 HydrophobicContact CG-CD1 4.1Å; L149-L153 WeakPolarHBondContact O-CG 3.46Å; L149-L153 PolarHBondContact O-N 2.97Å; L149-I175 HydrophobicContact CD2-CG2 3.94Å |
| 150 | T | 95.7 | Very high | 92 | Very high | 11 Ų | 11 | 70.8 Ų | 70.8 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.3 | -51 | 178.6 | -64.2 | 0 | 0 | 0 | 0 | 110.6 | F146 L152 L153 L154 I175 P184 | F146-T150 WeakPolarHBondContact O-CB 3.33Å; F146-T150 PolarHBondContact O-N 3.42Å; F146-T150 PolarHBondContact O-OG1 2.99Å; T150-L152 VanDerWaalsContact C-N 3.32Å; T150-L152 PolarHBondContact O-N 3.37Å; T150-L153 PolarHBondContact O-N 3.38Å; T150-L154 HydrophobicContact CG2-CD1 3.72Å; T150-L154 HydrophobicContact CG2-CG 4.16Å; T150-L154 WeakPolarHBondContact O-CB 3.22Å; T150-L154 WeakPolarHBondContact O-CG 3.47Å; T150-L154 PolarHBondContact O-N 3.27Å; T150-I175 WeakPolarHBondContact OG1-CD1 3.36Å; T150-P184 HydrophobicContact CG2-CG 4.03Å |
| 151 | R | 96.4 | Very high | 93.1 | Very high | 158 Ų | 158 | 68.5 Ų | 68.5 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.4 | -42.3 | 176.3 | -77.9 | -177.9 | -72.9 | -179.5 | -7.3 | 113 | D147 F155 | D147-R151 WeakPolarHBondContact O-CB 3.28Å; D147-R151 VanDerWaalsContact O-CG 3.27Å; D147-R151 WeakPolarHBondContact O-CG 3.46Å; D147-R151 PolarHBondContact O-N 3.48Å; D147-R151 PolarHBondContact O-NE 3.47Å; R151-F155 WeakPolarHBondContact O-CB 3.39Å; R151-F155 PolarHBondContact O-N 3.49Å |
| 152 | L | 97.5 | Very high | 93.9 | Very high | 19 Ų | 19 | 75 Ų | 75 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 177.4 | 173.8 | 63.5 | 0 | 0 | 0 | 111.6 | F106 A109 I124 R148 L149 T150 F155 R156 | F106-L152 HydrophobicContact CD1-CD2 3.46Å; F106-L152 VanDerWaalsContact CD1-CD2 3.46Å; F106-L152 HydrophobicContact CE1-CD2 3.9Å; F106-L152 HydrophobicContact CG-CD2 4.39Å; A109-L152 HydrophobicContact CB-CD1 3.92Å; A109-L152 HydrophobicContact CB-CD2 4.11Å; I124-L152 HydrophobicContact CD1-CD2 3.58Å; R148-L152 WeakPolarHBondContact O-CB 3.32Å; R148-L152 PolarHBondContact O-N 3.09Å; L149-L152 WeakPolarHBondContact O-CB 3.27Å; L149-L152 PolarHBondContact O-N 2.87Å; T150-L152 VanDerWaalsContact C-N 3.32Å; T150-L152 PolarHBondContact O-N 3.37Å; L152-F155 PolarHBondContact O-N 3.36Å; L152-R156 HydrophobicContact CD1-CG 4.05Å; L152-R156 WeakPolarHBondContact O-CB 3.42Å; L152-R156 VanDerWaalsContact O-CG 3.27Å; L152-R156 WeakPolarHBondContact O-CG 3.44Å; L152-R156 PolarHBondContact O-N 3.13Å |
| 153 | L | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.4 | -41.8 | -178.7 | -66.5 | -179.6 | 0 | 0 | 0 | 111.6 | L121 L149 T150 F155 R156 S157 V168 A171 L172 I175 | L121-L153 HydrophobicContact CD2-CD2 3.71Å; L149-L153 HydrophobicContact CD1-CD1 3.94Å; L149-L153 HydrophobicContact CD1-CG 4.07Å; L149-L153 HydrophobicContact CG-CD1 4.1Å; L149-L153 WeakPolarHBondContact O-CG 3.46Å; L149-L153 PolarHBondContact O-N 2.97Å; T150-L153 PolarHBondContact O-N 3.38Å; L153-F155 VanDerWaalsContact C-N 3.34Å; L153-F155 PolarHBondContact O-N 3.41Å; L153-R156 CarbonylContact O-C 3.59Å; L153-R156 PolarHBondContact O-N 3.33Å; L153-S157 PolarHBondContact O-N 3Å; L153-V168 HydrophobicContact CB-CG1 4.45Å; L153-V168 VanDerWaalsContact O-CG1 3.28Å; L153-V168 WeakPolarHBondContact O-CG1 3.34Å; L153-A171 HydrophobicContact CD1-CB 3.88Å; L153-A171 HydrophobicContact CD2-CB 3.71Å; L153-A171 HydrophobicContact CG-CB 4.47Å; L153-L172 HydrophobicContact CB-CD2 3.6Å; L153-L172 HydrophobicContact CB-CG 4.13Å; L153-L172 HydrophobicContact CD1-CD2 4.25Å; L153-I175 HydrophobicContact CD1-CD1 3.78Å; L153-I175 HydrophobicContact CD1-CG1 4.23Å |
| 154 | L | 98.5 | Very high | 95.9 | Very high | 47 Ų | 47 | 69.5 Ų | 69.5 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 175.3 | -66.9 | 176.2 | 0 | 0 | 0 | 112.6 | T150 R156 S157 L172 P184 A188 | T150-L154 HydrophobicContact CG2-CD1 3.72Å; T150-L154 HydrophobicContact CG2-CG 4.16Å; T150-L154 WeakPolarHBondContact O-CB 3.22Å; T150-L154 WeakPolarHBondContact O-CG 3.47Å; T150-L154 PolarHBondContact O-N 3.27Å; L154-R156 VanDerWaalsContact C-N 3.34Å; L154-S157 PolarHBondContact O-OG 3.03Å; L154-L172 HydrophobicContact CD2-CD2 4.31Å; L154-P184 HydrophobicContact CD1-CB 3.92Å; L154-P184 HydrophobicContact CD2-CB 4.4Å; L154-P184 WeakPolarHBondContact CD2-O 3.18Å; L154-A188 HydrophobicContact CD2-CB 3.53Å |
| 155 | F | 97.6 | Very high | 96.4 | Very high | 138 Ų | 138 | 66.9 Ų | 66.9 | 61% | 0.605 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.5 | -37.7 | 175.4 | -175.3 | -89.2 | 0 | 0 | 0 | 111.2 | R151 L152 L153 K158 | R151-F155 WeakPolarHBondContact O-CB 3.39Å; R151-F155 PolarHBondContact O-N 3.49Å; L152-F155 PolarHBondContact O-N 3.36Å; L153-F155 VanDerWaalsContact C-N 3.34Å; L153-F155 PolarHBondContact O-N 3.41Å; F155-K158 PolarHBondContact O-N 2.81Å |
| 156 | R | 97.8 | Very high | 96.8 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -82.5 | -13.7 | -178.8 | -65 | -70.2 | 132.9 | 63.6 | 7.6 | 113.8 | A109 L121 L152 L153 L154 K158 D159 V164 V168 | A109-R156 PolarHBondContact O-NH1 3.16Å; L121-R156 HydrophobicContact CD1-CB 3.98Å; L121-R156 HydrophobicContact CD1-CG 4.07Å; L121-R156 HydrophobicContact CD2-CB 4.47Å; L121-R156 HydrophobicContact CD2-CG 4.48Å; L152-R156 HydrophobicContact CD1-CG 4.05Å; L152-R156 WeakPolarHBondContact O-CB 3.42Å; L152-R156 VanDerWaalsContact O-CG 3.27Å; L152-R156 WeakPolarHBondContact O-CG 3.44Å; L152-R156 PolarHBondContact O-N 3.13Å; L153-R156 CarbonylContact O-C 3.59Å; L153-R156 PolarHBondContact O-N 3.33Å; L154-R156 VanDerWaalsContact C-N 3.34Å; R156-K158 PolarHBondContact O-N 3.03Å; R156-D159 VanDerWaalsContact O-CB 3.28Å; R156-D159 WeakPolarHBondContact O-CB 3.28Å; R156-D159 PolarHBondContact O-N 3.42Å; R156-D159 VanDerWaalsContact O-N 3.13Å; R156-V164 HydrophobicContact CB-CG1 4.28Å; R156-V168 HydrophobicContact CB-CG2 3.61Å |
| 157 | S | 98 | Very high | 97.2 | Very high | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.7 | 170.6 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | L153 L154 R165 | L153-S157 PolarHBondContact O-N 3Å; L154-S157 PolarHBondContact O-OG 3.03Å; S157-R165 WeakPolarHBondContact O-CD 3.3Å; S157-R165 WeakPolarHBondContact O-CG 3.42Å |
| 158 | K | 97.6 | Very high | 97.5 | Very high | 172 Ų | 172 | 60.6 Ų | 60.6 | 75% | 0.748 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 17.1 | 175.8 | -54.7 | 179.2 | -174.7 | -179.9 | 0 | 113.3 | F155 R156 | F155-K158 PolarHBondContact O-N 2.81Å; R156-K158 PolarHBondContact O-N 3.03Å |
| 159 | D | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | trans | -64.8 | 152.1 | -179.5 | -155.4 | -68.1 | 0 | 0 | 0 | 111.9 | R117 R156 D161 V164 R165 | R117-D159 IonicContact CZ-OD1 3.18Å; R117-D159 IonicContact CZ-OD2 3.24Å; R117-D159 VanDerWaalsContact CZ-OD2 3.32Å; R117-D159 IonicContact NE-OD1 3.22Å; R117-D159 IonicContact NE-OD2 3.77Å; R117-D159 PolarHBondContact NE-OD2 3.46Å; R117-D159 IonicContact NH2-OD1 3.32Å; R117-D159 PolarHBondContact NH2-OD1 2.86Å; R117-D159 IonicContact NH2-OD2 2.76Å; R117-D159 PolarHBondContact NH2-OD2 3.45Å; R156-D159 VanDerWaalsContact O-CB 3.28Å; R156-D159 WeakPolarHBondContact O-CB 3.28Å; R156-D159 PolarHBondContact O-N 3.42Å; R156-D159 VanDerWaalsContact O-N 3.13Å; D159-D161 VanDerWaalsContact C-N 3.33Å; D159-D161 PolarHBondContact OD1-N 2.82Å; D159-V164 HydrophobicContact CB-CB 3.85Å; D159-V164 HydrophobicContact CB-CG1 3.45Å; D159-V164 VanDerWaalsContact CB-CG1 3.45Å; D159-V164 WeakPolarHBondContact OD2-CG1 3.42Å; D159-R165 HydrophobicContact CB-CG 4.22Å; D159-R165 WeakPolarHBondContact O-CD 3.48Å; D159-R165 WeakPolarHBondContact O-CG 3.39Å | ||
| 160 | R | 97.3 | Very high | 97.9 | Very high | 242 Ų | 242 | 58.5 Ų | 58.5 | 91% | 0.913 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -73.3 | -28.5 | 176.6 | -64.9 | -175.9 | 179.1 | 177.7 | -1.3 | 112 | ||
| 161 | D | 97.9 | Very high | 98 | Very high | 44 Ų | 44 | 58 Ų | 58 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -86.1 | 116.3 | 179.5 | -167.6 | -32.3 | 0 | 0 | 0 | 110.6 | S114 D159 K163 V164 R165 | S114-D161 WeakPolarHBondContact CB-OD2 3.44Å; S114-D161 PolarHBondContact OG-OD2 3Å; D159-D161 VanDerWaalsContact C-N 3.33Å; D159-D161 PolarHBondContact OD1-N 2.82Å; D161-K163 PolarHBondContact O-N 2.87Å; D161-K163 VanDerWaalsContact O-N 3.14Å; D161-K163 WeakPolarHBondContact OD1-CB 3.27Å; D161-K163 PolarHBondContact OD1-N 3.25Å; D161-V164 HydrophobicContact CB-CB 4.28Å; D161-V164 HydrophobicContact CB-CG2 3.96Å; D161-V164 WeakPolarHBondContact O-CA 3.45Å; D161-V164 WeakPolarHBondContact O-CB 3.24Å; D161-V164 PolarHBondContact O-N 3.06Å; D161-R165 PolarHBondContact O-N 3.32Å; D161-R165 VanDerWaalsContact O-N 3.13Å |
| 162 | R | 98.5 | Very high | 98.1 | Very high | 152 Ų | 152 | 50.5 Ų | 50.5 | 57% | 0.574 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -55 | -31.2 | 178 | 64.8 | -179.1 | -178.7 | -99.6 | 5.9 | 113.7 | V164 R165 S166 C198 V201 | R162-V164 VanDerWaalsContact C-N 3.31Å; R162-V164 PolarHBondContact O-N 3.22Å; R162-R165 PolarHBondContact O-N 3.23Å; R162-S166 VanDerWaalsContact O-CB 3.27Å; R162-S166 WeakPolarHBondContact O-CB 3.23Å; R162-S166 PolarHBondContact O-N 3.24Å; R162-C198 HydrophobicContact CB-CB 4.17Å; R162-V201 HydrophobicContact CB-CG2 4.47Å; R162-V201 WeakPolarHBondContact O-CG2 3.45Å |
| 163 | K | 97.3 | Very high | 98 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.2 | -35.3 | 177.3 | -64.8 | -169.2 | 175.5 | -152.9 | 0 | 111.6 | Y118 D161 I167 | Y118-K163 HydrophobicContact CD2-CB 3.92Å; Y118-K163 WeakPolarHBondContact CD2-O 3.14Å; Y118-K163 HydrophobicContact CE2-CB 4.2Å; D161-K163 PolarHBondContact O-N 2.87Å; D161-K163 VanDerWaalsContact O-N 3.14Å; D161-K163 WeakPolarHBondContact OD1-CB 3.27Å; D161-K163 PolarHBondContact OD1-N 3.25Å; K163-I167 WeakPolarHBondContact O-CG2 3.42Å; K163-I167 PolarHBondContact O-N 3.18Å |
| 164 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -48.7 | 174 | 173.5 | 0 | 0 | 0 | 0 | 109.7 | R117 L121 R156 D159 D161 R162 S166 I167 V168 | R117-V164 HydrophobicContact CB-CG2 4.2Å; L121-V164 HydrophobicContact CD1-CG1 3.49Å; L121-V164 VanDerWaalsContact CD1-CG1 3.49Å; R156-V164 HydrophobicContact CB-CG1 4.28Å; D159-V164 HydrophobicContact CB-CB 3.85Å; D159-V164 HydrophobicContact CB-CG1 3.45Å; D159-V164 VanDerWaalsContact CB-CG1 3.45Å; D159-V164 WeakPolarHBondContact OD2-CG1 3.42Å; D161-V164 HydrophobicContact CB-CB 4.28Å; D161-V164 HydrophobicContact CB-CG2 3.96Å; D161-V164 WeakPolarHBondContact O-CA 3.45Å; D161-V164 WeakPolarHBondContact O-CB 3.24Å; D161-V164 PolarHBondContact O-N 3.06Å; R162-V164 VanDerWaalsContact C-N 3.31Å; R162-V164 PolarHBondContact O-N 3.22Å; V164-S166 VanDerWaalsContact C-N 3.3Å; V164-S166 PolarHBondContact O-N 3.08Å; V164-I167 VanDerWaalsContact O-CG2 3.23Å; V164-I167 WeakPolarHBondContact O-CG2 3.31Å; V164-I167 PolarHBondContact O-N 2.66Å; V164-V168 HydrophobicContact CG1-CG2 4.32Å; V164-V168 WeakPolarHBondContact O-CB 3.46Å; V164-V168 WeakPolarHBondContact O-CG2 3.34Å; V164-V168 PolarHBondContact O-N 3.39Å |
| 165 | R | 98.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 18% | 0.177 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -40 | 176.4 | -59.8 | -162.9 | -58.3 | -144.5 | 8.4 | 112.7 | S157 D159 D161 R162 V168 A169 D196 V201 | S157-R165 WeakPolarHBondContact O-CD 3.3Å; S157-R165 WeakPolarHBondContact O-CG 3.42Å; D159-R165 HydrophobicContact CB-CG 4.22Å; D159-R165 WeakPolarHBondContact O-CD 3.48Å; D159-R165 WeakPolarHBondContact O-CG 3.39Å; D161-R165 PolarHBondContact O-N 3.32Å; D161-R165 VanDerWaalsContact O-N 3.13Å; R162-R165 PolarHBondContact O-N 3.23Å; R165-V168 PolarHBondContact O-N 2.98Å; R165-A169 PolarHBondContact O-N 2.85Å; R165-D196 WeakPolarHBondContact CD-OD2 3.47Å; R165-D196 IonicContact CZ-OD1 2.71Å; R165-D196 IonicContact CZ-OD2 2.89Å; R165-D196 IonicContact NE-OD1 3.29Å; R165-D196 IonicContact NE-OD2 2.71Å; R165-D196 PolarHBondContact NE-OD2 3.05Å; R165-D196 IonicContact NH1-OD2 2.71Å; R165-D196 IonicContact NH2-OD1 3.16Å; R165-D196 PolarHBondContact NH2-OD1 3.19Å; R165-D196 IonicContact NH2-OD2 3.82Å; R165-D196 PolarHBondContact NH2-OD2 3.25Å; R165-V201 HydrophobicContact CB-CG1 4.07Å; R165-V201 HydrophobicContact CB-CG2 4.06Å |
| 166 | S | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.4 | -50.8 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | R162 V164 V168 A169 E200 N204 | R162-S166 VanDerWaalsContact O-CB 3.27Å; R162-S166 WeakPolarHBondContact O-CB 3.23Å; R162-S166 PolarHBondContact O-N 3.24Å; V164-S166 VanDerWaalsContact C-N 3.3Å; V164-S166 PolarHBondContact O-N 3.08Å; S166-V168 VanDerWaalsContact C-N 3.34Å; S166-V168 PolarHBondContact O-N 3.43Å; S166-A169 WeakPolarHBondContact O-CB 3.3Å; S166-A169 PolarHBondContact O-N 3.08Å; S166-E200 PolarHBondContact OG-OE1 3.2Å; S166-N204 PolarHBondContact OG-ND2 3.14Å |
| 167 | I | 98.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.2 | -30.3 | 178.4 | -169.8 | 59.7 | 0 | 0 | 0 | 112.5 | Y118 L121 K163 V164 V170 A171 | Y118-I167 HydrophobicContact CD2-CB 4.38Å; Y118-I167 HydrophobicContact CD2-CG2 3.87Å; Y118-I167 HydrophobicContact CE2-CB 4.18Å; Y118-I167 HydrophobicContact CE2-CG2 4.18Å; L121-I167 HydrophobicContact CB-CG1 4.47Å; L121-I167 HydrophobicContact CB-CG2 3.69Å; L121-I167 HydrophobicContact CD1-CG2 4.46Å; K163-I167 WeakPolarHBondContact O-CG2 3.42Å; K163-I167 PolarHBondContact O-N 3.18Å; V164-I167 VanDerWaalsContact O-CG2 3.23Å; V164-I167 WeakPolarHBondContact O-CG2 3.31Å; V164-I167 PolarHBondContact O-N 2.66Å; I167-V170 HydrophobicContact CD1-CB 4.47Å; I167-V170 PolarHBondContact O-N 3.34Å; I167-A171 PolarHBondContact O-N 3.47Å |
| 168 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 174.7 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | L121 L153 R156 V164 R165 S166 V170 A171 L172 | L121-V168 HydrophobicContact CD1-CG2 3.75Å; L121-V168 HydrophobicContact CD2-CG2 4.09Å; L121-V168 HydrophobicContact CG-CG2 4.44Å; L153-V168 HydrophobicContact CB-CG1 4.45Å; L153-V168 VanDerWaalsContact O-CG1 3.28Å; L153-V168 WeakPolarHBondContact O-CG1 3.34Å; R156-V168 HydrophobicContact CB-CG2 3.61Å; V164-V168 HydrophobicContact CG1-CG2 4.32Å; V164-V168 WeakPolarHBondContact O-CB 3.46Å; V164-V168 WeakPolarHBondContact O-CG2 3.34Å; V164-V168 PolarHBondContact O-N 3.39Å; R165-V168 PolarHBondContact O-N 2.98Å; S166-V168 VanDerWaalsContact C-N 3.34Å; S166-V168 PolarHBondContact O-N 3.43Å; V168-V170 VanDerWaalsContact C-N 3.26Å; V168-V170 PolarHBondContact O-N 2.95Å; V168-A171 PolarHBondContact O-N 3.32Å; V168-A171 VanDerWaalsContact O-N 3.13Å; V168-L172 HydrophobicContact CG1-CD1 3.66Å; V168-L172 HydrophobicContact CG1-CG 3.92Å; V168-L172 WeakPolarHBondContact O-CB 3.37Å; V168-L172 WeakPolarHBondContact O-CG 3.32Å; V168-L172 PolarHBondContact O-N 3.45Å |
| 169 | A | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.3 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R165 S166 G173 L192 N204 A205 A208 | R165-A169 PolarHBondContact O-N 2.85Å; S166-A169 WeakPolarHBondContact O-CB 3.3Å; S166-A169 PolarHBondContact O-N 3.08Å; A169-G173 PolarHBondContact O-N 3Å; A169-G173 VanDerWaalsContact O-N 3.07Å; A169-L192 HydrophobicContact CB-CD1 3.85Å; A169-N204 HydrophobicContact CB-CB 4.13Å; A169-A205 HydrophobicContact CB-CB 4.2Å; A169-A208 WeakPolarHBondContact O-CB 3.46Å |
| 170 | V | 98.2 | Very high | 96.1 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | I167 V168 G173 N204 | I167-V170 HydrophobicContact CD1-CB 4.47Å; I167-V170 PolarHBondContact O-N 3.34Å; V168-V170 VanDerWaalsContact C-N 3.26Å; V168-V170 PolarHBondContact O-N 2.95Å; V170-G173 PolarHBondContact O-N 2.86Å; V170-N204 HydrophobicContact CG2-CB 3.91Å |
| 171 | A | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -42.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L153 I167 V168 G173 R174 | L153-A171 HydrophobicContact CD1-CB 3.88Å; L153-A171 HydrophobicContact CD2-CB 3.71Å; L153-A171 HydrophobicContact CG-CB 4.47Å; I167-A171 PolarHBondContact O-N 3.47Å; V168-A171 PolarHBondContact O-N 3.32Å; V168-A171 VanDerWaalsContact O-N 3.13Å; A171-G173 PolarHBondContact O-N 2.78Å; A171-R174 PolarHBondContact O-N 3.29Å; A171-R174 VanDerWaalsContact O-N 3.15Å |
| 172 | L | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -37.1 | 173.5 | -73.4 | 171 | 0 | 0 | 0 | 111.3 | L153 L154 V168 R174 I175 Q176 A185 A188 V189 L192 | L153-L172 HydrophobicContact CB-CD2 3.6Å; L153-L172 HydrophobicContact CB-CG 4.13Å; L153-L172 HydrophobicContact CD1-CD2 4.25Å; L154-L172 HydrophobicContact CD2-CD2 4.31Å; V168-L172 HydrophobicContact CG1-CD1 3.66Å; V168-L172 HydrophobicContact CG1-CG 3.92Å; V168-L172 WeakPolarHBondContact O-CB 3.37Å; V168-L172 WeakPolarHBondContact O-CG 3.32Å; V168-L172 PolarHBondContact O-N 3.45Å; L172-R174 PolarHBondContact O-N 2.83Å; L172-R174 VanDerWaalsContact O-N 3.13Å; L172-I175 HydrophobicContact CD2-CD1 4.24Å; L172-I175 WeakPolarHBondContact O-CG1 3.08Å; L172-I175 PolarHBondContact O-N 3.08Å; L172-I175 VanDerWaalsContact O-N 3.07Å; L172-Q176 PolarHBondContact O-N 3.23Å; L172-A185 HydrophobicContact CD2-CB 4.14Å; L172-A188 HydrophobicContact CD1-CB 3.72Å; L172-V189 HydrophobicContact CB-CG2 3.6Å; L172-V189 HydrophobicContact CD1-CG2 4.27Å; L172-L192 HydrophobicContact CD1-CD1 4.36Å |
| 173 | G | 95.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -48.7 | -35.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A169 V170 A171 | A169-G173 PolarHBondContact O-N 3Å; A169-G173 VanDerWaalsContact O-N 3.07Å; V170-G173 PolarHBondContact O-N 2.86Å; A171-G173 PolarHBondContact O-N 2.78Å |
| 174 | R | 93.3 | Very high | 95.1 | Very high | 90 Ų | 90 | 42.8 Ų | 42.8 | 34% | 0.34 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -84.7 | -16.4 | -177.1 | -65 | -169.8 | 173.6 | 105.3 | 7 | 114.1 | S125 L128 H129 A171 L172 | S125-R174 VanDerWaalsContact C-NH1 3.32Å; S125-R174 PolarHBondContact O-NH1 3.24Å; S125-R174 PolarHBondContact OG-NH1 2.91Å; L128-R174 HydrophobicContact CB-CB 4.39Å; H129-R174 VanDerWaalsContact CB-NH2 3.29Å; A171-R174 PolarHBondContact O-N 3.29Å; A171-R174 VanDerWaalsContact O-N 3.15Å; L172-R174 PolarHBondContact O-N 2.83Å; L172-R174 VanDerWaalsContact O-N 3.13Å |
| 175 | I | 93.5 | Very high | 95 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -113 | 11 | -177.7 | 64.9 | 153.9 | 0 | 0 | 0 | 113 | L128 L138 F146 L149 T150 L153 L172 A185 | L128-I175 HydrophobicContact CD1-CG2 4.32Å; L138-I175 HydrophobicContact CD1-CG2 4.33Å; F146-I175 HydrophobicContact CE2-CB 3.95Å; F146-I175 HydrophobicContact CE2-CG2 4.24Å; F146-I175 HydrophobicContact CZ-CB 4.36Å; L149-I175 HydrophobicContact CD2-CG2 3.94Å; T150-I175 WeakPolarHBondContact OG1-CD1 3.36Å; L153-I175 HydrophobicContact CD1-CD1 3.78Å; L153-I175 HydrophobicContact CD1-CG1 4.23Å; L172-I175 HydrophobicContact CD2-CD1 4.24Å; L172-I175 WeakPolarHBondContact O-CG1 3.08Å; L172-I175 PolarHBondContact O-N 3.08Å; L172-I175 VanDerWaalsContact O-N 3.07Å; I175-A185 HydrophobicContact CD1-CB 4.08Å; I175-A185 HydrophobicContact CG1-CB 3.89Å |
| 176 | Q | 94.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | trans | -64 | 140.9 | 170.2 | -73.1 | 178 | 49.4 | 0 | 0 | 110.4 | L172 P178 A185 M186 A208 K210 | L172-Q176 PolarHBondContact O-N 3.23Å; Q176-P178 WeakPolarHBondContact O-CD 3.44Å; Q176-A185 HydrophobicContact CG-CB 4.21Å; Q176-M186 HydrophobicContact CB-CG 3.69Å; Q176-M186 HydrophobicContact CG-CB 4.41Å; Q176-M186 HydrophobicContact CG-CG 3.53Å; Q176-A208 PolarHBondContact NE2-O 2.97Å; Q176-K210 HydrophobicContact CB-CG 3.99Å; Q176-K210 VanDerWaalsContact OE1-N 3.1Å | ||
| 177 | Q | 92.2 | Very high | 94.7 | Very high | 90 Ų | 90 | 43.9 Ų | 43.9 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | trans | -118 | 88.9 | 175.1 | -64.8 | 175.1 | -77.2 | 0 | 0 | 107.9 | D179 D180 C183 | Q177-D179 PolarHBondContact O-N 3.03Å; Q177-D179 VanDerWaalsContact O-N 3.15Å; Q177-D180 HydrophobicContact CB-CB 4.05Å; Q177-D180 PolarHBondContact O-N 3.45Å; Q177-C183 HydrophobicContact CB-CB 4.45Å; Q177-C183 PolarHBondContact N-SG 3.03Å | ||
| 178 | P | 90 | Very high | 94.7 | Very high | 57 Ų | 57 | 43.3 Ų | 43.3 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.6 | -172.8 | -27.1 | 37 | 0 | 0 | 0 | 115.3 | Q176 D180 K210 | Q176-P178 WeakPolarHBondContact O-CD 3.44Å; P178-D180 VanDerWaalsContact C-N 3.32Å; P178-K210 HydrophobicContact CG-CB 3.84Å; P178-K210 HydrophobicContact CG-CG 3.94Å |
| 179 | D | 90.1 | Very high | 94.7 | Very high | 164 Ų | 164 | 43.3 Ų | 43.3 | 88% | 0.877 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14 | 179 | -54 | -43.9 | 0 | 0 | 0 | 112.6 | Q177 P181 | Q177-D179 PolarHBondContact O-N 3.03Å; Q177-D179 VanDerWaalsContact O-N 3.15Å; D179-P181 WeakPolarHBondContact O-CD 3.19Å |
| 180 | D | 91.8 | Very high | 94.5 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | trans | -91.2 | 110.7 | 174.8 | 174.9 | 13.3 | 0 | 0 | 0 | 110.2 | Q177 P178 E182 C183 | Q177-D180 HydrophobicContact CB-CB 4.05Å; Q177-D180 PolarHBondContact O-N 3.45Å; P178-D180 VanDerWaalsContact C-N 3.32Å; D180-E182 PolarHBondContact O-N 3.25Å; D180-E182 PolarHBondContact OD1-N 3.43Å; D180-C183 HydrophobicContact CB-CB 4.06Å; D180-C183 WeakPolarHBondContact O-CB 3.34Å; D180-C183 PolarHBondContact O-N 2.86Å; D180-C183 WeakPolarHBondContact OD2-CA 3.4Å; D180-C183 PolarHBondContact OD2-N 3.48Å | ||
| 181 | P | 87.3 | Confident | 94.5 | Very high | 85 Ų | 85 | 48.3 Ų | 48.3 | 55% | 0.552 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.8 | -179.5 | 26.5 | -34.3 | 0 | 0 | 0 | 113.7 | D179 K214 | D179-P181 WeakPolarHBondContact O-CD 3.19Å; P181-K214 PolarHBondContact O-NZ 3.4Å |
| 182 | E | 91.8 | Very high | 94.5 | Very high | 154 Ų | 154 | 48.4 Ų | 48.4 | 72% | 0.72 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 18.8 | -178.8 | -62.6 | -56 | 125.9 | 0 | 0 | 112.2 | D180 P184 | D180-E182 PolarHBondContact O-N 3.25Å; D180-E182 PolarHBondContact OD1-N 3.43Å; E182-P184 VanDerWaalsContact O-CD 3.28Å; E182-P184 WeakPolarHBondContact O-CD 3.47Å |
| 183 | C | 95.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | trans | -56.1 | 114.3 | -176.6 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | Q177 D180 A185 M186 A187 | Q177-C183 HydrophobicContact CB-CB 4.45Å; Q177-C183 PolarHBondContact N-SG 3.03Å; D180-C183 HydrophobicContact CB-CB 4.06Å; D180-C183 WeakPolarHBondContact O-CB 3.34Å; D180-C183 PolarHBondContact O-N 2.86Å; D180-C183 WeakPolarHBondContact OD2-CA 3.4Å; D180-C183 PolarHBondContact OD2-N 3.48Å; C183-A185 VanDerWaalsContact C-N 3.29Å; C183-A185 PolarHBondContact O-N 3.47Å; C183-M186 HydrophobicContact CB-CB 4.03Å; C183-M186 HydrophobicContact CB-CG 3.91Å; C183-M186 HydrophobicContact CB-SD 3.76Å; C183-M186 PolarHBondContact O-N 2.83Å; C183-A187 PolarHBondContact O-N 3.37Å; C183-A187 VanDerWaalsContact O-N 3.08Å | ||
| 184 | P | 96 | Very high | 94.5 | Very high | 54 Ų | 54 | 52.8 Ų | 52.8 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.9 | -28.6 | -174.1 | 27.6 | -35.8 | 0 | 0 | 0 | 112.4 | T150 L154 E182 A188 | T150-P184 HydrophobicContact CG2-CG 4.03Å; L154-P184 HydrophobicContact CD1-CB 3.92Å; L154-P184 HydrophobicContact CD2-CB 4.4Å; L154-P184 WeakPolarHBondContact CD2-O 3.18Å; E182-P184 VanDerWaalsContact O-CD 3.28Å; E182-P184 WeakPolarHBondContact O-CD 3.47Å; P184-A188 WeakPolarHBondContact O-CB 3.45Å; P184-A188 PolarHBondContact O-N 2.97Å |
| 185 | A | 96.2 | Very high | 94.7 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L172 I175 Q176 C183 A188 V189 | L172-A185 HydrophobicContact CD2-CB 4.14Å; I175-A185 HydrophobicContact CD1-CB 4.08Å; I175-A185 HydrophobicContact CG1-CB 3.89Å; Q176-A185 HydrophobicContact CG-CB 4.21Å; C183-A185 VanDerWaalsContact C-N 3.29Å; C183-A185 PolarHBondContact O-N 3.47Å; A185-A188 PolarHBondContact O-N 3.3Å; A185-V189 WeakPolarHBondContact O-CG2 3.49Å; A185-V189 PolarHBondContact O-N 3.46Å |
| 186 | M | 95.5 | Very high | 94.9 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 174.7 | -70.9 | 176.5 | 64.2 | 0 | 0 | 111.1 | Q176 C183 A188 V189 L190 N212 T215 | Q176-M186 HydrophobicContact CB-CG 3.69Å; Q176-M186 HydrophobicContact CG-CB 4.41Å; Q176-M186 HydrophobicContact CG-CG 3.53Å; C183-M186 HydrophobicContact CB-CB 4.03Å; C183-M186 HydrophobicContact CB-CG 3.91Å; C183-M186 HydrophobicContact CB-SD 3.76Å; C183-M186 PolarHBondContact O-N 2.83Å; M186-A188 VanDerWaalsContact C-N 3.27Å; M186-A188 PolarHBondContact O-N 3.03Å; M186-V189 PolarHBondContact O-N 3.28Å; M186-L190 WeakPolarHBondContact O-CB 3.41Å; M186-L190 WeakPolarHBondContact O-CG 3.47Å; M186-L190 PolarHBondContact O-N 3.07Å; M186-N212 WeakPolarHBondContact CE-ND2 3.47Å; M186-T215 HydrophobicContact CE-CG2 4.12Å |
| 187 | A | 95.9 | Very high | 95 | Very high | 57 Ų | 57 | 59.8 Ų | 59.8 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.5 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C183 F191 | C183-A187 PolarHBondContact O-N 3.37Å; C183-A187 VanDerWaalsContact O-N 3.08Å; A187-F191 WeakPolarHBondContact O-CB 3.37Å; A187-F191 PolarHBondContact O-N 3.13Å |
| 188 | A | 97.7 | Very high | 95.3 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L154 L172 P184 A185 M186 F191 L192 | L154-A188 HydrophobicContact CD2-CB 3.53Å; L172-A188 HydrophobicContact CD1-CB 3.72Å; P184-A188 WeakPolarHBondContact O-CB 3.45Å; P184-A188 PolarHBondContact O-N 2.97Å; A185-A188 PolarHBondContact O-N 3.3Å; M186-A188 VanDerWaalsContact C-N 3.27Å; M186-A188 PolarHBondContact O-N 3.03Å; A188-F191 PolarHBondContact O-N 3.15Å; A188-L192 WeakPolarHBondContact O-CG 3.17Å; A188-L192 PolarHBondContact O-N 3.17Å |
| 189 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 174.7 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | L172 A185 M186 F191 L192 L193 A205 A208 I209 | L172-V189 HydrophobicContact CB-CG2 3.6Å; L172-V189 HydrophobicContact CD1-CG2 4.27Å; A185-V189 WeakPolarHBondContact O-CG2 3.49Å; A185-V189 PolarHBondContact O-N 3.46Å; M186-V189 PolarHBondContact O-N 3.28Å; V189-F191 VanDerWaalsContact C-N 3.35Å; V189-F191 PolarHBondContact O-N 3.28Å; V189-L192 PolarHBondContact O-N 2.99Å; V189-L193 WeakPolarHBondContact O-CB 3.48Å; V189-L193 PolarHBondContact O-N 3.48Å; V189-A205 HydrophobicContact CG1-CB 4.19Å; V189-A205 WeakPolarHBondContact CG1-O 3.21Å; V189-A208 HydrophobicContact CG1-CB 4.49Å; V189-I209 HydrophobicContact CG1-CB 4.21Å; V189-I209 HydrophobicContact CG1-CG1 4.42Å |
| 190 | L | 96 | Very high | 96.1 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 173.7 | -77.4 | 176.7 | 0 | 0 | 0 | 112.2 | M186 L192 L193 R194 I209 T215 E218 | M186-L190 WeakPolarHBondContact O-CB 3.41Å; M186-L190 WeakPolarHBondContact O-CG 3.47Å; M186-L190 PolarHBondContact O-N 3.07Å; L190-L192 PolarHBondContact O-N 3.48Å; L190-L193 PolarHBondContact O-N 3.35Å; L190-R194 WeakPolarHBondContact O-CB 3.36Å; L190-R194 WeakPolarHBondContact O-CG 3.17Å; L190-R194 PolarHBondContact O-N 3.07Å; L190-I209 HydrophobicContact CD2-CD1 3.66Å; L190-T215 HydrophobicContact CD1-CG2 4.39Å; L190-T215 HydrophobicContact CD2-CG2 4.23Å; L190-E218 HydrophobicContact CD2-CB 4.07Å; L190-E218 HydrophobicContact CD2-CG 3.76Å |
| 191 | F | 97.2 | Very high | 96.5 | Very high | 116 Ų | 116 | 50.3 Ų | 50.3 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 177 | -174.7 | -86.5 | 0 | 0 | 0 | 112 | A187 A188 V189 L193 R194 Y195 | A187-F191 WeakPolarHBondContact O-CB 3.37Å; A187-F191 PolarHBondContact O-N 3.13Å; A188-F191 PolarHBondContact O-N 3.15Å; V189-F191 VanDerWaalsContact C-N 3.35Å; V189-F191 PolarHBondContact O-N 3.28Å; F191-L193 VanDerWaalsContact C-N 3.31Å; F191-L193 PolarHBondContact O-N 2.79Å; F191-R194 PolarHBondContact O-N 2.87Å; F191-Y195 AromaticContact CD2-CD2 3.63Å; F191-Y195 HydrophobicContact CD2-CD2 3.63Å; F191-Y195 HydrophobicContact CD2-CE2 4.07Å; F191-Y195 AromaticContact CE2-CD2 3.69Å; F191-Y195 HydrophobicContact CE2-CD2 3.69Å; F191-Y195 HydrophobicContact CE2-CE2 4.25Å; F191-Y195 HydrophobicContact CG-CD2 4.13Å; F191-Y195 HydrophobicContact CZ-CD2 4.24Å; F191-Y195 PolarHBondContact O-N 3.48Å |
| 192 | L | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.1 | -69.1 | 177 | 0 | 0 | 0 | 111.6 | A169 L172 A188 V189 L190 D196 V201 A205 | A169-L192 HydrophobicContact CB-CD1 3.85Å; L172-L192 HydrophobicContact CD1-CD1 4.36Å; A188-L192 WeakPolarHBondContact O-CG 3.17Å; A188-L192 PolarHBondContact O-N 3.17Å; V189-L192 PolarHBondContact O-N 2.99Å; L190-L192 PolarHBondContact O-N 3.48Å; L192-D196 WeakPolarHBondContact O-CB 3.41Å; L192-D196 PolarHBondContact O-N 2.93Å; L192-V201 HydrophobicContact CB-CG1 4.26Å; L192-V201 HydrophobicContact CD1-CG1 4.4Å; L192-V201 HydrophobicContact CD2-CG1 4.04Å; L192-V201 HydrophobicContact CG-CG1 4.47Å; L192-A205 HydrophobicContact CB-CB 4.01Å |
| 193 | L | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -42.4 | 179.8 | -173.3 | 59.1 | 0 | 0 | 0 | 112.5 | V189 L190 F191 R202 A205 L206 I209 E218 R222 | V189-L193 WeakPolarHBondContact O-CB 3.48Å; V189-L193 PolarHBondContact O-N 3.48Å; L190-L193 PolarHBondContact O-N 3.35Å; F191-L193 VanDerWaalsContact C-N 3.31Å; F191-L193 PolarHBondContact O-N 2.79Å; L193-R202 WeakPolarHBondContact CD1-O 3.35Å; L193-R202 VanDerWaalsContact O-CD 3.3Å; L193-R202 WeakPolarHBondContact O-CD 3.38Å; L193-A205 HydrophobicContact CB-CB 4.03Å; L193-A205 HydrophobicContact CD1-CB 4.27Å; L193-L206 HydrophobicContact CD1-CB 3.7Å; L193-L206 HydrophobicContact CD1-CD1 4.28Å; L193-L206 HydrophobicContact CD2-CD1 4.3Å; L193-I209 HydrophobicContact CD2-CD1 3.81Å; L193-E218 HydrophobicContact CD2-CB 4.36Å; L193-R222 HydrophobicContact CD1-CG 3.69Å; L193-R222 HydrophobicContact CD2-CG 4.04Å; L193-R222 HydrophobicContact CG-CG 3.82Å; L193-R222 PolarHBondContact O-NH1 3.49Å |
| 194 | R | 96.1 | Very high | 97.5 | Very high | 98 Ų | 98 | 42.9 Ų | 42.9 | 37% | 0.37 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -75.7 | -45.9 | -178.2 | -73.7 | 178.7 | 178.6 | 168.4 | 3.5 | 113 | L190 F191 E218 | L190-R194 WeakPolarHBondContact O-CB 3.36Å; L190-R194 WeakPolarHBondContact O-CG 3.17Å; L190-R194 PolarHBondContact O-N 3.07Å; F191-R194 PolarHBondContact O-N 2.87Å; R194-E218 WeakPolarHBondContact CG-OE2 3.42Å; R194-E218 IonicContact CZ-OE1 3.87Å; R194-E218 IonicContact CZ-OE2 3.41Å; R194-E218 IonicContact NE-OE1 3.33Å; R194-E218 PolarHBondContact NE-OE1 3.01Å; R194-E218 IonicContact NE-OE2 2.77Å; R194-E218 PolarHBondContact NE-OE2 3.31Å; R194-E218 IonicContact NH2-OE1 3.64Å; R194-E218 PolarHBondContact NH2-OE1 3.35Å; R194-E218 IonicContact NH2-OE2 2.8Å |
| 195 | Y | 96.9 | Very high | 97.6 | Very high | 147 Ų | 147 | 40.3 Ų | 40.3 | 58% | 0.576 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -119.3 | -7.3 | -160.1 | -53.7 | -59.5 | 0 | 0 | 0 | 114.6 | F191 P197 | F191-Y195 AromaticContact CD2-CD2 3.63Å; F191-Y195 HydrophobicContact CD2-CD2 3.63Å; F191-Y195 HydrophobicContact CD2-CE2 4.07Å; F191-Y195 AromaticContact CE2-CD2 3.69Å; F191-Y195 HydrophobicContact CE2-CD2 3.69Å; F191-Y195 HydrophobicContact CE2-CE2 4.25Å; F191-Y195 HydrophobicContact CG-CD2 4.13Å; F191-Y195 HydrophobicContact CZ-CD2 4.24Å; F191-Y195 PolarHBondContact O-N 3.48Å; Y195-P197 WeakPolarHBondContact O-CD 3.32Å |
| 196 | D | 98.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | trans | -69.6 | 127.2 | -179.9 | -159.8 | -65.4 | 0 | 0 | 0 | 110.6 | R165 L192 C198 V201 R202 | R165-D196 WeakPolarHBondContact CD-OD2 3.47Å; R165-D196 IonicContact CZ-OD1 2.71Å; R165-D196 IonicContact CZ-OD2 2.89Å; R165-D196 IonicContact NE-OD1 3.29Å; R165-D196 IonicContact NE-OD2 2.71Å; R165-D196 PolarHBondContact NE-OD2 3.05Å; R165-D196 IonicContact NH1-OD2 2.71Å; R165-D196 IonicContact NH2-OD1 3.16Å; R165-D196 PolarHBondContact NH2-OD1 3.19Å; R165-D196 IonicContact NH2-OD2 3.82Å; R165-D196 PolarHBondContact NH2-OD2 3.25Å; L192-D196 WeakPolarHBondContact O-CB 3.41Å; L192-D196 PolarHBondContact O-N 2.93Å; D196-C198 PolarHBondContact O-N 3.24Å; D196-C198 VanDerWaalsContact OD1-CB 3.3Å; D196-C198 WeakPolarHBondContact OD1-CB 3.28Å; D196-C198 PolarHBondContact OD1-N 3.32Å; D196-V201 HydrophobicContact CB-CB 4.09Å; D196-V201 HydrophobicContact CB-CG1 3.94Å; D196-V201 WeakPolarHBondContact OD2-CG1 3.3Å; D196-R202 HydrophobicContact CB-CG 4.15Å; D196-R202 VanDerWaalsContact O-CD 3.31Å; D196-R202 WeakPolarHBondContact O-CD 3.39Å; D196-R202 WeakPolarHBondContact O-CG 3.47Å; D196-R202 PolarHBondContact O-NH1 2.93Å | ||
| 197 | P | 97.8 | Very high | 97.8 | Very high | 106 Ų | 106 | 44.5 Ų | 44.5 | 69% | 0.688 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -68.6 | -19.8 | 179.1 | 27.1 | -36.6 | 0 | 0 | 0 | 113.3 | Y195 | Y195-P197 WeakPolarHBondContact O-CD 3.32Š|
| 198 | C | 98.4 | Very high | 97.8 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 14% | 0.142 | 21% | 0.209 | C | C | . | . | trans | -91.5 | 119.7 | -177.6 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | R162 D196 E200 V201 R202 | R162-C198 HydrophobicContact CB-CB 4.17Å; D196-C198 PolarHBondContact O-N 3.24Å; D196-C198 VanDerWaalsContact OD1-CB 3.3Å; D196-C198 WeakPolarHBondContact OD1-CB 3.28Å; D196-C198 PolarHBondContact OD1-N 3.32Å; C198-E200 VanDerWaalsContact C-N 3.26Å; C198-E200 PolarHBondContact O-N 3.4Å; C198-V201 HydrophobicContact CB-CB 4.3Å; C198-V201 HydrophobicContact CB-CG2 3.77Å; C198-V201 WeakPolarHBondContact O-CB 3.36Å; C198-V201 PolarHBondContact O-N 2.99Å; C198-R202 PolarHBondContact O-N 3.08Å; C198-R202 VanDerWaalsContact O-N 3.08Å | ||
| 199 | S | 98.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.9 | -32.6 | 178.8 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | V201 R202 L203 | S199-V201 VanDerWaalsContact C-N 3.34Å; S199-R202 PolarHBondContact O-N 3.43Å; S199-L203 WeakPolarHBondContact O-CB 3.41Å; S199-L203 PolarHBondContact O-N 3.3Å |
| 200 | E | 98.5 | Very high | 97.5 | Very high | 94 Ų | 94 | 47.2 Ų | 47.2 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.7 | -39 | 175.3 | -166.1 | -164.2 | 138.4 | 0 | 0 | 111.7 | S166 C198 N204 | S166-E200 PolarHBondContact OG-OE1 3.2Å; C198-E200 VanDerWaalsContact C-N 3.26Å; C198-E200 PolarHBondContact O-N 3.4Å; E200-N204 PolarHBondContact O-N 3.25Å |
| 201 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.3 | -47.1 | 176.9 | -176.4 | 0 | 0 | 0 | 0 | 110 | R162 R165 L192 D196 C198 S199 L203 N204 A205 | R162-V201 HydrophobicContact CB-CG2 4.47Å; R162-V201 WeakPolarHBondContact O-CG2 3.45Å; R165-V201 HydrophobicContact CB-CG1 4.07Å; R165-V201 HydrophobicContact CB-CG2 4.06Å; L192-V201 HydrophobicContact CB-CG1 4.26Å; L192-V201 HydrophobicContact CD1-CG1 4.4Å; L192-V201 HydrophobicContact CD2-CG1 4.04Å; L192-V201 HydrophobicContact CG-CG1 4.47Å; D196-V201 HydrophobicContact CB-CB 4.09Å; D196-V201 HydrophobicContact CB-CG1 3.94Å; D196-V201 WeakPolarHBondContact OD2-CG1 3.3Å; C198-V201 HydrophobicContact CB-CB 4.3Å; C198-V201 HydrophobicContact CB-CG2 3.77Å; C198-V201 WeakPolarHBondContact O-CB 3.36Å; C198-V201 PolarHBondContact O-N 2.99Å; S199-V201 VanDerWaalsContact C-N 3.34Å; V201-L203 VanDerWaalsContact C-N 3.32Å; V201-L203 PolarHBondContact O-N 3.33Å; V201-N204 PolarHBondContact O-N 2.77Å; V201-A205 WeakPolarHBondContact O-CB 3.41Å; V201-A205 PolarHBondContact O-N 2.8Å |
| 202 | R | 98.6 | Very high | 96.8 | Very high | 30 Ų | 30 | 44.6 Ų | 44.6 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 175.5 | -64 | -159.1 | -60.6 | -103.1 | 7.1 | 111.9 | L193 D196 C198 S199 N204 A205 L206 D225 V230 | L193-R202 WeakPolarHBondContact CD1-O 3.35Å; L193-R202 VanDerWaalsContact O-CD 3.3Å; L193-R202 WeakPolarHBondContact O-CD 3.38Å; D196-R202 HydrophobicContact CB-CG 4.15Å; D196-R202 VanDerWaalsContact O-CD 3.31Å; D196-R202 WeakPolarHBondContact O-CD 3.39Å; D196-R202 WeakPolarHBondContact O-CG 3.47Å; D196-R202 PolarHBondContact O-NH1 2.93Å; C198-R202 PolarHBondContact O-N 3.08Å; C198-R202 VanDerWaalsContact O-N 3.08Å; S199-R202 PolarHBondContact O-N 3.43Å; R202-N204 PolarHBondContact O-N 3.16Å; R202-A205 PolarHBondContact O-N 2.82Å; R202-L206 VanDerWaalsContact O-CB 3.3Å; R202-L206 WeakPolarHBondContact O-CB 3.37Å; R202-L206 PolarHBondContact O-N 2.87Å; R202-D225 IonicContact CZ-OD1 3Å; R202-D225 IonicContact CZ-OD2 2.62Å; R202-D225 IonicContact NE-OD1 3.99Å; R202-D225 IonicContact NE-OD2 2.61Å; R202-D225 PolarHBondContact NE-OD2 3.32Å; R202-D225 IonicContact NH2-OD1 2.82Å; R202-D225 PolarHBondContact NH2-OD1 2.88Å; R202-D225 IonicContact NH2-OD2 3.86Å; R202-D225 PolarHBondContact NH2-OD2 3.43Å; R202-V230 HydrophobicContact CB-CG2 4.39Å |
| 203 | L | 98.8 | Very high | 96.1 | Very high | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 176.6 | -179.1 | 63.7 | 0 | 0 | 0 | 111.8 | S199 V201 L206 K207 V230 E233 | S199-L203 WeakPolarHBondContact O-CB 3.41Å; S199-L203 PolarHBondContact O-N 3.3Å; V201-L203 VanDerWaalsContact C-N 3.32Å; V201-L203 PolarHBondContact O-N 3.33Å; L203-L206 WeakPolarHBondContact O-CB 3.3Å; L203-L206 PolarHBondContact O-N 3.17Å; L203-K207 WeakPolarHBondContact O-CG 3.35Å; L203-K207 PolarHBondContact O-N 3.01Å; L203-V230 HydrophobicContact CB-CG2 4.04Å; L203-E233 HydrophobicContact CD1-CB 3.53Å; L203-E233 HydrophobicContact CD1-CG 3.84Å |
| 204 | N | 98.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 17% | 0.166 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.2 | -34.8 | 178.4 | -77.2 | -23 | 0 | 0 | 0 | 112.4 | S166 A169 V170 E200 V201 R202 L206 K207 A208 | S166-N204 PolarHBondContact OG-ND2 3.14Å; A169-N204 HydrophobicContact CB-CB 4.13Å; V170-N204 HydrophobicContact CG2-CB 3.91Å; E200-N204 PolarHBondContact O-N 3.25Å; V201-N204 PolarHBondContact O-N 2.77Å; R202-N204 PolarHBondContact O-N 3.16Å; N204-L206 VanDerWaalsContact C-N 3.34Å; N204-K207 PolarHBondContact O-N 3.02Å; N204-A208 WeakPolarHBondContact O-CB 3.49Å; N204-A208 PolarHBondContact O-N 2.99Å |
| 205 | A | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A169 V189 L192 L193 V201 R202 A208 I209 | A169-A205 HydrophobicContact CB-CB 4.2Å; V189-A205 HydrophobicContact CG1-CB 4.19Å; V189-A205 WeakPolarHBondContact CG1-O 3.21Å; L192-A205 HydrophobicContact CB-CB 4.01Å; L193-A205 HydrophobicContact CB-CB 4.03Å; L193-A205 HydrophobicContact CD1-CB 4.27Å; V201-A205 WeakPolarHBondContact O-CB 3.41Å; V201-A205 PolarHBondContact O-N 2.8Å; R202-A205 PolarHBondContact O-N 2.82Å; A205-A208 PolarHBondContact O-N 3.16Å; A205-A208 VanDerWaalsContact O-N 3.16Å; A205-I209 PolarHBondContact O-N 2.82Å |
| 206 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 177 | -175.6 | 57.2 | 0 | 0 | 0 | 112.5 | L193 R202 L203 N204 A208 I209 L219 R222 V230 E233 A234 | L193-L206 HydrophobicContact CD1-CB 3.7Å; L193-L206 HydrophobicContact CD1-CD1 4.28Å; L193-L206 HydrophobicContact CD2-CD1 4.3Å; R202-L206 VanDerWaalsContact O-CB 3.3Å; R202-L206 WeakPolarHBondContact O-CB 3.37Å; R202-L206 PolarHBondContact O-N 2.87Å; L203-L206 WeakPolarHBondContact O-CB 3.3Å; L203-L206 PolarHBondContact O-N 3.17Å; N204-L206 VanDerWaalsContact C-N 3.34Å; L206-A208 PolarHBondContact O-N 3.43Å; L206-I209 VanDerWaalsContact O-CG2 3.26Å; L206-I209 WeakPolarHBondContact O-CG2 2.81Å; L206-L219 HydrophobicContact CD1-CD1 3.7Å; L206-R222 HydrophobicContact CD1-CB 4.24Å; L206-R222 HydrophobicContact CD1-CG 4.35Å; L206-R222 HydrophobicContact CD2-CB 4.22Å; L206-V230 HydrophobicContact CD2-CG1 3.82Å; L206-V230 WeakPolarHBondContact CD2-O 3.37Å; L206-E233 HydrophobicContact CD2-CB 3.99Å; L206-E233 HydrophobicContact CD2-CG 4.02Å; L206-E233 HydrophobicContact CG-CG 4.21Å; L206-A234 HydrophobicContact CD2-CB 3.87Å |
| 207 | K | 97.6 | Very high | 94.9 | Very high | 106 Ų | 106 | 51.5 Ų | 51.5 | 46% | 0.461 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.4 | -29.5 | 173.6 | -72.5 | 174.7 | 179.2 | -179.4 | 0 | 112.8 | L203 N204 E233 | L203-K207 WeakPolarHBondContact O-CG 3.35Å; L203-K207 PolarHBondContact O-N 3.01Å; N204-K207 PolarHBondContact O-N 3.02Å; K207-E233 WeakPolarHBondContact CE-OE2 3.48Å; K207-E233 HydrophobicContact CG-CG 3.81Å |
| 208 | A | 96.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 12% | 0.116 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -85.7 | -22.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A169 Q176 V189 N204 A205 L206 K210 | A169-A208 WeakPolarHBondContact O-CB 3.46Å; Q176-A208 PolarHBondContact NE2-O 2.97Å; V189-A208 HydrophobicContact CG1-CB 4.49Å; N204-A208 WeakPolarHBondContact O-CB 3.49Å; N204-A208 PolarHBondContact O-N 2.99Å; A205-A208 PolarHBondContact O-N 3.16Å; A205-A208 VanDerWaalsContact O-N 3.16Å; L206-A208 PolarHBondContact O-N 3.43Å; A208-K210 PolarHBondContact O-N 2.81Å |
| 209 | I | 94.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 134.1 | -173.3 | -158.8 | 169.3 | 0 | 0 | 0 | 111.6 | V189 L190 L193 A205 L206 V211 T215 | V189-I209 HydrophobicContact CG1-CB 4.21Å; V189-I209 HydrophobicContact CG1-CG1 4.42Å; L190-I209 HydrophobicContact CD2-CD1 3.66Å; L193-I209 HydrophobicContact CD2-CD1 3.81Å; A205-I209 PolarHBondContact O-N 2.82Å; L206-I209 VanDerWaalsContact O-CG2 3.26Å; L206-I209 WeakPolarHBondContact O-CG2 2.81Å; I209-V211 HydrophobicContact CG2-CG2 4.48Å; I209-T215 HydrophobicContact CD1-CG2 3.99Å; I209-T215 HydrophobicContact CG1-CG2 4.08Å |
| 210 | K | 93.5 | Very high | 94.6 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -87.9 | 118.9 | 169.2 | -60.8 | -64.1 | -176.8 | 178.2 | 0 | 108.5 | Q176 P178 A208 N212 T215 | Q176-K210 HydrophobicContact CB-CG 3.99Å; Q176-K210 VanDerWaalsContact OE1-N 3.1Å; P178-K210 HydrophobicContact CG-CB 3.84Å; P178-K210 HydrophobicContact CG-CG 3.94Å; A208-K210 PolarHBondContact O-N 2.81Å; K210-N212 PolarHBondContact O-N 3.47Å; K210-T215 PolarHBondContact O-OG1 2.98Å; K210-T215 VanDerWaalsContact O-OG1 3.05Å |
| 211 | V | 90.7 | Very high | 94.5 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 26% | 0.255 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -79.4 | 121.4 | -174.1 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | I209 T215 L216 L219 I241 V242 | I209-V211 HydrophobicContact CG2-CG2 4.48Å; V211-T215 VanDerWaalsContact CA-OG1 3.3Å; V211-T215 WeakPolarHBondContact CA-OG1 3.35Å; V211-L216 HydrophobicContact CG1-CD1 4.44Å; V211-L219 HydrophobicContact CG1-CD2 4.39Å; V211-L219 HydrophobicContact CG2-CD2 4.08Å; V211-I241 HydrophobicContact CB-CG2 3.93Å; V211-I241 HydrophobicContact CG1-CG2 4.23Å; V211-I241 HydrophobicContact CG2-CD1 3.79Å; V211-I241 HydrophobicContact CG2-CG2 4.21Å; V211-V242 HydrophobicContact CG1-CG2 4.36Å |
| 212 | N | 88.3 | Confident | 94.4 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -143.2 | -174.7 | 168.9 | 66.1 | 26.9 | 0 | 0 | 0 | 110.1 | M186 K210 K214 T215 L216 | M186-N212 WeakPolarHBondContact CE-ND2 3.47Å; K210-N212 PolarHBondContact O-N 3.47Å; N212-K214 PolarHBondContact O-N 3.24Å; N212-K214 WeakPolarHBondContact OD1-CA 3.24Å; N212-K214 WeakPolarHBondContact OD1-CB 3.13Å; N212-K214 PolarHBondContact OD1-N 3.18Å; N212-T215 PolarHBondContact N-OG1 3.35Å; N212-T215 PolarHBondContact O-N 3.42Å; N212-T215 VanDerWaalsContact O-N 3.13Å; N212-T215 PolarHBondContact O-OG1 2.79Å; N212-T215 PolarHBondContact OD1-N 2.92Å; N212-T215 VanDerWaalsContact OD1-N 3.08Å; N212-T215 PolarHBondContact OD1-OG1 2.89Å; N212-L216 WeakPolarHBondContact O-CB 3.36Å; N212-L216 PolarHBondContact O-N 2.91Å |
| 213 | H | 84.3 | Confident | 94.4 | Very high | 179 Ų | 179 | 44.9 Ų | 44.9 | 83% | 0.829 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31 | -179.2 | -165.5 | -58 | 0 | 0 | 0 | 113.4 | ||
| 214 | K | 86.3 | Confident | 94.3 | Very high | 119 Ų | 119 | 52 Ų | 52 | 52% | 0.517 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -34 | 177.8 | -67.1 | -173.3 | 176.4 | -172.2 | 0 | 112.4 | P181 N212 | P181-K214 PolarHBondContact O-NZ 3.4Å; N212-K214 PolarHBondContact O-N 3.24Å; N212-K214 WeakPolarHBondContact OD1-CA 3.24Å; N212-K214 WeakPolarHBondContact OD1-CB 3.13Å; N212-K214 PolarHBondContact OD1-N 3.18Å |
| 215 | T | 91.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -15.6 | -174.1 | 64.1 | 0 | 0 | 0 | 0 | 114 | M186 L190 I209 K210 V211 N212 E218 L219 | M186-T215 HydrophobicContact CE-CG2 4.12Å; L190-T215 HydrophobicContact CD1-CG2 4.39Å; L190-T215 HydrophobicContact CD2-CG2 4.23Å; I209-T215 HydrophobicContact CD1-CG2 3.99Å; I209-T215 HydrophobicContact CG1-CG2 4.08Å; K210-T215 PolarHBondContact O-OG1 2.98Å; K210-T215 VanDerWaalsContact O-OG1 3.05Å; V211-T215 VanDerWaalsContact CA-OG1 3.3Å; V211-T215 WeakPolarHBondContact CA-OG1 3.35Å; N212-T215 PolarHBondContact N-OG1 3.35Å; N212-T215 PolarHBondContact O-N 3.42Å; N212-T215 VanDerWaalsContact O-N 3.13Å; N212-T215 PolarHBondContact O-OG1 2.79Å; N212-T215 PolarHBondContact OD1-N 2.92Å; N212-T215 VanDerWaalsContact OD1-N 3.08Å; N212-T215 PolarHBondContact OD1-OG1 2.89Å; T215-E218 WeakPolarHBondContact O-CB 3.34Å; T215-E218 PolarHBondContact O-N 2.8Å; T215-E218 VanDerWaalsContact O-N 3.14Å; T215-L219 PolarHBondContact O-N 3.18Å; T215-L219 VanDerWaalsContact O-N 3.12Å |
| 216 | L | 92.6 | Very high | 94.2 | Very high | 31 Ų | 31 | 61.7 Ų | 61.7 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 179.1 | 176.8 | 62.3 | 0 | 0 | 0 | 113 | V211 N212 E218 L219 L220 V242 | V211-L216 HydrophobicContact CG1-CD1 4.44Å; N212-L216 WeakPolarHBondContact O-CB 3.36Å; N212-L216 PolarHBondContact O-N 2.91Å; L216-E218 PolarHBondContact O-N 3.18Å; L216-L219 HydrophobicContact CD1-CD2 4.28Å; L216-L219 WeakPolarHBondContact O-CB 3.01Å; L216-L219 PolarHBondContact O-N 2.93Å; L216-L219 VanDerWaalsContact O-N 3.13Å; L216-L220 HydrophobicContact CD1-CG 4.28Å; L216-L220 HydrophobicContact CG-CD1 4.35Å; L216-L220 WeakPolarHBondContact O-CG 3.47Å; L216-L220 PolarHBondContact O-N 2.99Å; L216-V242 HydrophobicContact CD1-CG1 4.16Å; L216-V242 HydrophobicContact CD1-CG2 3.72Å |
| 217 | P | 93.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 62.8 Ų | 62.8 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.6 | -35.8 | 175.7 | -26.9 | 36.3 | 0 | 0 | 0 | 112.9 | L220 E221 | P217-L220 PolarHBondContact O-N 2.67Å; P217-E221 WeakPolarHBondContact O-CB 3.07Å; P217-E221 PolarHBondContact O-N 2.98Å |
| 218 | E | 94.1 | Very high | 94.3 | Very high | 19 Ų | 19 | 59.3 Ų | 59.3 | 9% | 0.089 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73 | -37.7 | 179.9 | -58.3 | -60.4 | 146 | 0 | 0 | 112.6 | L190 L193 R194 T215 L216 L220 E221 R222 | L190-E218 HydrophobicContact CD2-CB 4.07Å; L190-E218 HydrophobicContact CD2-CG 3.76Å; L193-E218 HydrophobicContact CD2-CB 4.36Å; R194-E218 WeakPolarHBondContact CG-OE2 3.42Å; R194-E218 IonicContact CZ-OE1 3.87Å; R194-E218 IonicContact CZ-OE2 3.41Å; R194-E218 IonicContact NE-OE1 3.33Å; R194-E218 PolarHBondContact NE-OE1 3.01Å; R194-E218 IonicContact NE-OE2 2.77Å; R194-E218 PolarHBondContact NE-OE2 3.31Å; R194-E218 IonicContact NH2-OE1 3.64Å; R194-E218 PolarHBondContact NH2-OE1 3.35Å; R194-E218 IonicContact NH2-OE2 2.8Å; T215-E218 WeakPolarHBondContact O-CB 3.34Å; T215-E218 PolarHBondContact O-N 2.8Å; T215-E218 VanDerWaalsContact O-N 3.14Å; L216-E218 PolarHBondContact O-N 3.18Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-E221 PolarHBondContact O-N 3.34Å; E218-R222 VanDerWaalsContact O-CG 3.27Å; E218-R222 WeakPolarHBondContact O-CG 3.11Å; E218-R222 PolarHBondContact O-N 3.09Å; E218-R222 VanDerWaalsContact O-N 3.11Å; E218-R222 IonicContact OE2-NH1 3.82Å |
| 219 | L | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 171.2 | 173 | 61.7 | 0 | 0 | 0 | 110.6 | L206 V211 T215 L216 E221 R222 C223 A234 R237 V242 | L206-L219 HydrophobicContact CD1-CD1 3.7Å; V211-L219 HydrophobicContact CG1-CD2 4.39Å; V211-L219 HydrophobicContact CG2-CD2 4.08Å; T215-L219 PolarHBondContact O-N 3.18Å; T215-L219 VanDerWaalsContact O-N 3.12Å; L216-L219 HydrophobicContact CD1-CD2 4.28Å; L216-L219 WeakPolarHBondContact O-CB 3.01Å; L216-L219 PolarHBondContact O-N 2.93Å; L216-L219 VanDerWaalsContact O-N 3.13Å; L219-E221 PolarHBondContact O-N 3.15Å; L219-R222 PolarHBondContact O-N 3.18Å; L219-C223 PolarHBondContact O-N 3.03Å; L219-A234 HydrophobicContact CD1-CB 4.23Å; L219-R237 HydrophobicContact CD1-CB 3.83Å; L219-V242 HydrophobicContact CD2-CG2 4.06Å |
| 220 | L | 96.8 | Very high | 94.6 | Very high | 25 Ų | 25 | 63.8 Ų | 63.8 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 178.4 | -65.6 | 175.8 | 0 | 0 | 0 | 111.7 | L216 P217 E218 R222 C223 L238 L247 Q251 L255 | L216-L220 HydrophobicContact CD1-CG 4.28Å; L216-L220 HydrophobicContact CG-CD1 4.35Å; L216-L220 WeakPolarHBondContact O-CG 3.47Å; L216-L220 PolarHBondContact O-N 2.99Å; P217-L220 PolarHBondContact O-N 2.67Å; E218-L220 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 3.2Å; L220-C223 VanDerWaalsContact O-CB 3.24Å; L220-C223 WeakPolarHBondContact O-CB 3.12Å; L220-C223 PolarHBondContact O-N 2.69Å; L220-C223 VanDerWaalsContact O-N 3.08Å; L220-L238 HydrophobicContact CD2-CD1 3.46Å; L220-L238 VanDerWaalsContact CD2-CD1 3.46Å; L220-L247 HydrophobicContact CD1-CD2 4.27Å; L220-L247 HydrophobicContact CD2-CD2 4.09Å; L220-Q251 HydrophobicContact CD1-CG 4.31Å; L220-L255 HydrophobicContact CD2-CD1 3.94Å; L220-L255 HydrophobicContact CD2-CD2 4.24Å; L220-L255 HydrophobicContact CD2-CG 4.49Å |
| 221 | E | 96.9 | Very high | 94.8 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -32.5 | 178.1 | -157.7 | -171.6 | -152.8 | 0 | 0 | 111.9 | P217 E218 L219 C223 R224 | P217-E221 WeakPolarHBondContact O-CB 3.07Å; P217-E221 PolarHBondContact O-N 2.98Å; E218-E221 PolarHBondContact O-N 3.34Å; L219-E221 PolarHBondContact O-N 3.15Å; E221-C223 VanDerWaalsContact C-N 3.26Å; E221-C223 PolarHBondContact O-N 3.36Å; E221-R224 WeakPolarHBondContact O-CB 3.43Å; E221-R224 PolarHBondContact O-N 3.46Å |
| 222 | R | 97.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.8 | -13.4 | 176 | -66.2 | -65.2 | 93.6 | 70.6 | 1.9 | 114.1 | L193 L206 E218 L219 L220 R224 D225 V230 A234 | L193-R222 HydrophobicContact CD1-CG 3.69Å; L193-R222 HydrophobicContact CD2-CG 4.04Å; L193-R222 HydrophobicContact CG-CG 3.82Å; L193-R222 PolarHBondContact O-NH1 3.49Å; L206-R222 HydrophobicContact CD1-CB 4.24Å; L206-R222 HydrophobicContact CD1-CG 4.35Å; L206-R222 HydrophobicContact CD2-CB 4.22Å; E218-R222 VanDerWaalsContact O-CG 3.27Å; E218-R222 WeakPolarHBondContact O-CG 3.11Å; E218-R222 PolarHBondContact O-N 3.09Å; E218-R222 VanDerWaalsContact O-N 3.11Å; E218-R222 IonicContact OE2-NH1 3.82Å; L219-R222 PolarHBondContact O-N 3.18Å; L220-R222 PolarHBondContact O-N 3.2Å; R222-R224 PolarHBondContact O-N 3.11Å; R222-D225 IonicContact NE-OD2 3.49Å; R222-D225 WeakPolarHBondContact O-CB 3.27Å; R222-D225 PolarHBondContact O-N 3.22Å; R222-V230 HydrophobicContact CB-CG1 4.4Å; R222-A234 HydrophobicContact CB-CB 3.99Å |
| 223 | C | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.2 | 165.1 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | L219 L220 E221 R231 Y235 L255 Q258 | L219-C223 PolarHBondContact O-N 3.03Å; L220-C223 VanDerWaalsContact O-CB 3.24Å; L220-C223 WeakPolarHBondContact O-CB 3.12Å; L220-C223 PolarHBondContact O-N 2.69Å; L220-C223 VanDerWaalsContact O-N 3.08Å; E221-C223 VanDerWaalsContact C-N 3.26Å; E221-C223 PolarHBondContact O-N 3.36Å; C223-R231 WeakPolarHBondContact O-CD 3.35Å; C223-R231 WeakPolarHBondContact O-CG 3.11Å; C223-Y235 HydrophobicContact CB-CD2 4.19Å; C223-Y235 HydrophobicContact CB-CE2 3.7Å; C223-L255 HydrophobicContact CB-CD2 4.09Å; C223-Q258 PolarHBondContact O-NE2 3.08Å |
| 224 | R | 97.1 | Very high | 96.3 | Very high | 175 Ų | 175 | 54.3 Ų | 54.3 | 66% | 0.66 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 16.1 | 178.1 | -65.3 | 173.3 | -178.8 | -176.9 | 1 | 114.4 | E221 R222 Q258 | E221-R224 WeakPolarHBondContact O-CB 3.43Å; E221-R224 PolarHBondContact O-N 3.46Å; R222-R224 PolarHBondContact O-N 3.11Å; R224-Q258 VanDerWaalsContact CG-CD 3.47Å |
| 225 | D | 98.5 | Very high | 96.9 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | trans | -62 | 145 | 178.9 | -164.6 | -78.5 | 0 | 0 | 0 | 112.4 | R202 R222 S227 V230 R231 | R202-D225 IonicContact CZ-OD1 3Å; R202-D225 IonicContact CZ-OD2 2.62Å; R202-D225 IonicContact NE-OD1 3.99Å; R202-D225 IonicContact NE-OD2 2.61Å; R202-D225 PolarHBondContact NE-OD2 3.32Å; R202-D225 IonicContact NH2-OD1 2.82Å; R202-D225 PolarHBondContact NH2-OD1 2.88Å; R202-D225 IonicContact NH2-OD2 3.86Å; R202-D225 PolarHBondContact NH2-OD2 3.43Å; R222-D225 IonicContact NE-OD2 3.49Å; R222-D225 WeakPolarHBondContact O-CB 3.27Å; R222-D225 PolarHBondContact O-N 3.22Å; D225-S227 PolarHBondContact O-N 3.05Å; D225-S227 VanDerWaalsContact O-N 3.14Å; D225-S227 WeakPolarHBondContact OD1-CB 3.26Å; D225-S227 PolarHBondContact OD1-N 3.5Å; D225-V230 HydrophobicContact CB-CB 3.8Å; D225-V230 HydrophobicContact CB-CG1 3.61Å; D225-R231 HydrophobicContact CB-CG 4Å; D225-R231 WeakPolarHBondContact O-CD 3.4Å; D225-R231 WeakPolarHBondContact O-CG 3.42Å; D225-R231 PolarHBondContact O-NE 2.72Å; D225-R231 VanDerWaalsContact O-NE 3.09Å | ||
| 226 | Y | 96.8 | Very high | 97.2 | Very high | 226 Ų | 226 | 52.5 Ų | 52.5 | 89% | 0.886 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -55.5 | -31.3 | 174.4 | -65.1 | -76.3 | 0 | 0 | 0 | 113.4 | ||
| 227 | S | 98.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -86.7 | 119.8 | 179.2 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | D225 L229 V230 R231 | D225-S227 PolarHBondContact O-N 3.05Å; D225-S227 VanDerWaalsContact O-N 3.14Å; D225-S227 WeakPolarHBondContact OD1-CB 3.26Å; D225-S227 PolarHBondContact OD1-N 3.5Å; S227-L229 PolarHBondContact O-N 3.2Å; S227-L229 VanDerWaalsContact O-N 3.16Å; S227-L229 PolarHBondContact OG-N 3Å; S227-V230 PolarHBondContact O-N 2.86Å; S227-R231 PolarHBondContact O-N 3.23Å |
| 228 | A | 98.4 | Very high | 97.5 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 28% | 0.281 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.9 | -33.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R232 | A228-R232 WeakPolarHBondContact O-CB 2.98Å; A228-R232 PolarHBondContact O-N 3.46Å |
| 229 | L | 98.3 | Very high | 97.6 | Very high | 117 Ų | 117 | 50.3 Ų | 50.3 | 61% | 0.613 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -67.7 | -36.9 | 176.8 | -64.7 | 178.8 | 0 | 0 | 0 | 112.4 | S227 E233 | S227-L229 PolarHBondContact O-N 3.2Å; S227-L229 VanDerWaalsContact O-N 3.16Å; S227-L229 PolarHBondContact OG-N 3Å; L229-E233 PolarHBondContact O-N 2.86Å |
| 230 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.2 | -44.8 | 177.7 | 179 | 0 | 0 | 0 | 0 | 109.7 | R202 L203 L206 R222 D225 S227 R232 E233 A234 | R202-V230 HydrophobicContact CB-CG2 4.39Å; L203-V230 HydrophobicContact CB-CG2 4.04Å; L206-V230 HydrophobicContact CD2-CG1 3.82Å; L206-V230 WeakPolarHBondContact CD2-O 3.37Å; R222-V230 HydrophobicContact CB-CG1 4.4Å; D225-V230 HydrophobicContact CB-CB 3.8Å; D225-V230 HydrophobicContact CB-CG1 3.61Å; S227-V230 PolarHBondContact O-N 2.86Å; V230-R232 PolarHBondContact O-N 2.99Å; V230-E233 PolarHBondContact O-N 3.26Å; V230-A234 PolarHBondContact O-N 2.65Å |
| 231 | R | 98.7 | Very high | 97.4 | Very high | 30 Ų | 30 | 58 Ų | 58 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.1 | -48.5 | 175 | -65.1 | -169.5 | -82.4 | 148.2 | 4.6 | 111.9 | C223 D225 S227 E233 A234 Y235 D262 S263 L267 | C223-R231 WeakPolarHBondContact O-CD 3.35Å; C223-R231 WeakPolarHBondContact O-CG 3.11Å; D225-R231 HydrophobicContact CB-CG 4Å; D225-R231 WeakPolarHBondContact O-CD 3.4Å; D225-R231 WeakPolarHBondContact O-CG 3.42Å; D225-R231 PolarHBondContact O-NE 2.72Å; D225-R231 VanDerWaalsContact O-NE 3.09Å; S227-R231 PolarHBondContact O-N 3.23Å; R231-E233 VanDerWaalsContact C-N 3.34Å; R231-E233 PolarHBondContact O-N 3.44Å; R231-A234 WeakPolarHBondContact O-CB 2.98Å; R231-A234 PolarHBondContact O-N 2.59Å; R231-A234 VanDerWaalsContact O-N 3.08Å; R231-Y235 WeakPolarHBondContact O-CD2 3.45Å; R231-Y235 PolarHBondContact O-N 3.44Å; R231-D262 IonicContact CZ-OD1 3.73Å; R231-D262 IonicContact CZ-OD2 2.68Å; R231-D262 IonicContact NH1-OD1 2.85Å; R231-D262 PolarHBondContact NH1-OD1 3.12Å; R231-D262 IonicContact NH1-OD2 3.74Å; R231-D262 PolarHBondContact NH1-OD2 3.46Å; R231-D262 IonicContact NH2-OD1 3.87Å; R231-D262 PolarHBondContact NH2-OD1 2.89Å; R231-S263 PolarHBondContact NH2-OG 3.43Å; R231-L267 HydrophobicContact CB-CD2 3.58Å |
| 232 | R | 98.5 | Very high | 97.2 | Very high | 117 Ų | 117 | 53.8 Ų | 53.8 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 179 | -177.6 | 178.4 | 172.9 | -174.1 | 0.3 | 112.6 | A228 V230 A234 K236 L267 | A228-R232 WeakPolarHBondContact O-CB 2.98Å; A228-R232 PolarHBondContact O-N 3.46Å; V230-R232 PolarHBondContact O-N 2.99Å; R232-A234 VanDerWaalsContact C-N 3.32Å; R232-K236 WeakPolarHBondContact O-CB 3.37Å; R232-K236 PolarHBondContact O-N 3.08Å; R232-L267 HydrophobicContact CB-CD1 4.16Å; R232-L267 HydrophobicContact CB-CD2 4.49Å; R232-L267 HydrophobicContact CG-CD1 4.34Å |
| 233 | E | 98.1 | Very high | 97 | Very high | 24 Ų | 24 | 56.2 Ų | 56.2 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.6 | -36.3 | 174.6 | -176.3 | 66.2 | -143.3 | 0 | 0 | 111.6 | L203 L206 K207 L229 V230 R231 K236 R237 | L203-E233 HydrophobicContact CD1-CB 3.53Å; L203-E233 HydrophobicContact CD1-CG 3.84Å; L206-E233 HydrophobicContact CD2-CB 3.99Å; L206-E233 HydrophobicContact CD2-CG 4.02Å; L206-E233 HydrophobicContact CG-CG 4.21Å; K207-E233 WeakPolarHBondContact CE-OE2 3.48Å; K207-E233 HydrophobicContact CG-CG 3.81Å; L229-E233 PolarHBondContact O-N 2.86Å; V230-E233 PolarHBondContact O-N 3.26Å; R231-E233 VanDerWaalsContact C-N 3.34Å; R231-E233 PolarHBondContact O-N 3.44Å; E233-K236 PolarHBondContact O-N 2.88Å; E233-R237 HydrophobicContact CG-CG 4.25Å; E233-R237 WeakPolarHBondContact O-CB 3.34Å; E233-R237 WeakPolarHBondContact O-CG 3.16Å; E233-R237 PolarHBondContact O-N 3.34Å; E233-R237 WeakPolarHBondContact OE1-CG 3.4Å; E233-R237 IonicContact OE1-NH1 2.58Å |
| 234 | A | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L206 L219 R222 V230 R231 R232 K236 R237 L238 | L206-A234 HydrophobicContact CD2-CB 3.87Å; L219-A234 HydrophobicContact CD1-CB 4.23Å; R222-A234 HydrophobicContact CB-CB 3.99Å; V230-A234 PolarHBondContact O-N 2.65Å; R231-A234 WeakPolarHBondContact O-CB 2.98Å; R231-A234 PolarHBondContact O-N 2.59Å; R231-A234 VanDerWaalsContact O-N 3.08Å; R232-A234 VanDerWaalsContact C-N 3.32Å; A234-K236 VanDerWaalsContact C-N 3.34Å; A234-K236 PolarHBondContact O-N 2.96Å; A234-R237 PolarHBondContact O-N 2.89Å; A234-L238 WeakPolarHBondContact O-CB 3.32Å; A234-L238 PolarHBondContact O-N 3.25Å |
| 235 | Y | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.2 | -87.3 | -86.7 | 0 | 0 | 0 | 112.3 | C223 R231 R237 L238 V239 L255 G259 L267 L275 | C223-Y235 HydrophobicContact CB-CD2 4.19Å; C223-Y235 HydrophobicContact CB-CE2 3.7Å; R231-Y235 WeakPolarHBondContact O-CD2 3.45Å; R231-Y235 PolarHBondContact O-N 3.44Å; Y235-R237 PolarHBondContact O-N 3.17Å; Y235-L238 WeakPolarHBondContact O-CB 3.36Å; Y235-L238 PolarHBondContact O-N 3.48Å; Y235-V239 WeakPolarHBondContact O-CG2 3.45Å; Y235-V239 PolarHBondContact O-N 3.49Å; Y235-L255 HydrophobicContact CE1-CB 4.41Å; Y235-L255 HydrophobicContact CE1-CD2 4.18Å; Y235-L255 PolarHBondContact OH-O 2.89Å; Y235-G259 WeakPolarHBondContact OH-CA 3.48Å; Y235-G259 PolarHBondContact OH-N 3.14Å; Y235-G259 VanDerWaalsContact OH-N 3.09Å; Y235-L267 HydrophobicContact CD2-CD1 3.84Å; Y235-L267 HydrophobicContact CD2-CD2 4.25Å; Y235-L267 HydrophobicContact CE2-CD2 4.48Å; Y235-L267 HydrophobicContact CG-CD1 4.05Å; Y235-L275 HydrophobicContact CD1-CD2 4.01Å; Y235-L275 HydrophobicContact CE1-CD2 3.92Å |
| 236 | K | 97.9 | Very high | 96.4 | Very high | 82 Ų | 82 | 64.7 Ų | 64.7 | 36% | 0.357 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 175.4 | -179.3 | -176.4 | 174.7 | -176.4 | 0 | 111.6 | R232 E233 A234 L238 V239 E240 F270 | R232-K236 WeakPolarHBondContact O-CB 3.37Å; R232-K236 PolarHBondContact O-N 3.08Å; E233-K236 PolarHBondContact O-N 2.88Å; A234-K236 VanDerWaalsContact C-N 3.34Å; A234-K236 PolarHBondContact O-N 2.96Å; K236-L238 VanDerWaalsContact C-N 3.3Å; K236-L238 PolarHBondContact O-N 3.33Å; K236-V239 PolarHBondContact O-N 3.05Å; K236-E240 WeakPolarHBondContact CE-OE1 3.36Å; K236-E240 IonicContact NZ-OE1 2.7Å; K236-E240 WeakPolarHBondContact O-CB 3.36Å; K236-E240 WeakPolarHBondContact O-CG 3.4Å; K236-E240 PolarHBondContact O-N 3.37Å; K236-F270 HydrophobicContact CB-CZ 4.16Å |
| 237 | R | 95.4 | Very high | 96.3 | Very high | 46 Ų | 46 | 54.2 Ų | 54.2 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | 179.1 | -68.6 | -97.3 | 55.9 | 80.8 | -0.7 | 111.5 | L219 E233 A234 Y235 E240 I241 | L219-R237 HydrophobicContact CD1-CB 3.83Å; E233-R237 HydrophobicContact CG-CG 4.25Å; E233-R237 WeakPolarHBondContact O-CB 3.34Å; E233-R237 WeakPolarHBondContact O-CG 3.16Å; E233-R237 PolarHBondContact O-N 3.34Å; E233-R237 WeakPolarHBondContact OE1-CG 3.4Å; E233-R237 IonicContact OE1-NH1 2.58Å; A234-R237 PolarHBondContact O-N 2.89Å; Y235-R237 PolarHBondContact O-N 3.17Å; R237-E240 IonicContact CZ-OE2 3.85Å; R237-E240 IonicContact NH1-OE2 3.39Å; R237-E240 PolarHBondContact NH1-OE2 3.29Å; R237-E240 IonicContact NH2-OE2 3.82Å; R237-E240 PolarHBondContact NH2-OE2 2.95Å; R237-E240 PolarHBondContact O-N 2.96Å; R237-I241 VanDerWaalsContact NE-CD1 3.31Å; R237-I241 WeakPolarHBondContact O-CB 3.45Å; R237-I241 WeakPolarHBondContact O-CG1 3.41Å; R237-I241 PolarHBondContact O-N 3.45Å; R237-I241 VanDerWaalsContact O-N 3.08Å |
| 238 | L | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 175 | -173.1 | 141.2 | 0 | 0 | 0 | 111.2 | L220 A234 Y235 K236 E240 I241 V242 L255 L275 W279 | L220-L238 HydrophobicContact CD2-CD1 3.46Å; L220-L238 VanDerWaalsContact CD2-CD1 3.46Å; A234-L238 WeakPolarHBondContact O-CB 3.32Å; A234-L238 PolarHBondContact O-N 3.25Å; Y235-L238 WeakPolarHBondContact O-CB 3.36Å; Y235-L238 PolarHBondContact O-N 3.48Å; K236-L238 VanDerWaalsContact C-N 3.3Å; K236-L238 PolarHBondContact O-N 3.33Å; L238-E240 VanDerWaalsContact C-N 3.35Å; L238-E240 PolarHBondContact O-N 2.98Å; L238-I241 PolarHBondContact O-N 2.62Å; L238-V242 HydrophobicContact CG-CB 4.33Å; L238-V242 WeakPolarHBondContact O-CA 3.33Å; L238-V242 WeakPolarHBondContact O-CB 3.44Å; L238-V242 PolarHBondContact O-N 3.08Å; L238-L255 HydrophobicContact CD1-CD1 3.49Å; L238-L255 VanDerWaalsContact CD1-CD1 3.49Å; L238-L255 HydrophobicContact CD1-CD2 3.9Å; L238-L255 HydrophobicContact CD1-CG 4.36Å; L238-L255 HydrophobicContact CD2-CD1 4.26Å; L238-L275 HydrophobicContact CD2-CD1 4.2Å; L238-W279 HydrophobicContact CD2-CZ2 4.01Å |
| 239 | V | 96.5 | Very high | 96 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | Y235 K236 F270 V274 L275 K278 | Y235-V239 WeakPolarHBondContact O-CG2 3.45Å; Y235-V239 PolarHBondContact O-N 3.49Å; K236-V239 PolarHBondContact O-N 3.05Å; V239-F270 HydrophobicContact CG2-CE1 4.19Å; V239-F270 HydrophobicContact CG2-CZ 4.36Å; V239-V274 HydrophobicContact CG1-CG1 4.43Å; V239-L275 HydrophobicContact CG2-CB 4.24Å; V239-L275 HydrophobicContact CG2-CD1 3.44Å; V239-L275 VanDerWaalsContact CG2-CD1 3.44Å; V239-L275 HydrophobicContact CG2-CG 4.46Å; V239-K278 HydrophobicContact CG1-CB 3.86Å; V239-K278 HydrophobicContact CG1-CD 4.32Å; V239-K278 HydrophobicContact CG1-CG 3.63Å |
| 240 | E | 94.9 | Very high | 95.8 | Very high | 105 Ų | 105 | 55.9 Ų | 55.9 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -76.2 | -23.4 | -175.3 | -73.9 | 175.9 | 179 | 0 | 0 | 113.9 | K236 R237 L238 | K236-E240 WeakPolarHBondContact CE-OE1 3.36Å; K236-E240 IonicContact NZ-OE1 2.7Å; K236-E240 WeakPolarHBondContact O-CB 3.36Å; K236-E240 WeakPolarHBondContact O-CG 3.4Å; K236-E240 PolarHBondContact O-N 3.37Å; R237-E240 IonicContact CZ-OE2 3.85Å; R237-E240 IonicContact NH1-OE2 3.39Å; R237-E240 PolarHBondContact NH1-OE2 3.29Å; R237-E240 IonicContact NH2-OE2 3.82Å; R237-E240 PolarHBondContact NH2-OE2 2.95Å; R237-E240 PolarHBondContact O-N 2.96Å; L238-E240 VanDerWaalsContact C-N 3.35Å; L238-E240 PolarHBondContact O-N 2.98Å |
| 241 | I | 92.8 | Very high | 95.8 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 42% | 0.415 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -123 | -35.1 | -168.6 | -56.1 | 172.9 | 0 | 0 | 0 | 112.9 | V211 R237 L238 | V211-I241 HydrophobicContact CB-CG2 3.93Å; V211-I241 HydrophobicContact CG1-CG2 4.23Å; V211-I241 HydrophobicContact CG2-CD1 3.79Å; V211-I241 HydrophobicContact CG2-CG2 4.21Å; R237-I241 VanDerWaalsContact NE-CD1 3.31Å; R237-I241 WeakPolarHBondContact O-CB 3.45Å; R237-I241 WeakPolarHBondContact O-CG1 3.41Å; R237-I241 PolarHBondContact O-N 3.45Å; R237-I241 VanDerWaalsContact O-N 3.08Å; L238-I241 PolarHBondContact O-N 2.62Å |
| 242 | V | 93.6 | Very high | 95.7 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | trans | -105.8 | 108.1 | -167.2 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | V211 L216 L219 L238 L247 | V211-V242 HydrophobicContact CG1-CG2 4.36Å; L216-V242 HydrophobicContact CD1-CG1 4.16Å; L216-V242 HydrophobicContact CD1-CG2 3.72Å; L219-V242 HydrophobicContact CD2-CG2 4.06Å; L238-V242 HydrophobicContact CG-CB 4.33Å; L238-V242 WeakPolarHBondContact O-CA 3.33Å; L238-V242 WeakPolarHBondContact O-CB 3.44Å; L238-V242 PolarHBondContact O-N 3.08Å; V242-L247 HydrophobicContact CG1-CD2 3.98Å; V242-L247 HydrophobicContact CG1-CG 4.13Å | ||
| 243 | H | 94.1 | Very high | 95.6 | Very high | 73 Ų | 73 | 53.2 Ų | 53.2 | 34% | 0.338 | 25% | 0.251 | S | S | . | . | trans | -62.5 | 131.6 | 170.9 | -166.4 | -77.3 | 0 | 0 | 0 | 109.9 | R245 Y246 | H243-R245 WeakPolarHBondContact CE1-CD 3.5Å; H243-R245 VanDerWaalsContact CE1-CG 3.46Å; H243-R245 WeakPolarHBondContact CE1-CG 3.45Å; H243-R245 WeakPolarHBondContact ND1-CB 3.28Å; H243-R245 WeakPolarHBondContact ND1-CG 3.37Å; H243-R245 PolarHBondContact ND1-N 2.93Å; H243-R245 PolarHBondContact O-N 3.47Å; H243-Y246 HydrophobicContact CB-CD2 3.67Å; H243-Y246 HydrophobicContact CB-CE2 3.84Å; H243-Y246 PolarHBondContact O-N 3.08Å | ||
| 244 | P | 94.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -63.5 | -14.1 | -174 | 23.5 | -34.3 | 0 | 0 | 0 | 114.6 | Y246 L247 R252 W279 A282 F283 | P244-Y246 VanDerWaalsContact C-N 3.3Å; P244-L247 PolarHBondContact O-N 2.99Å; P244-R252 PolarHBondContact O-NH1 3.1Å; P244-W279 HydrophobicContact CB-CD2 3.84Å; P244-W279 HydrophobicContact CB-CE3 4.24Å; P244-W279 HydrophobicContact CB-CG 4.24Å; P244-W279 HydrophobicContact CB-CZ2 4.13Å; P244-W279 HydrophobicContact CG-CD2 4.32Å; P244-W279 HydrophobicContact CG-CG 4.19Å; P244-A282 HydrophobicContact CG-CB 3.56Å; P244-F283 HydrophobicContact CB-CE2 3.8Å; P244-F283 HydrophobicContact CB-CZ 3.82Å; P244-F283 HydrophobicContact CG-CD2 4.48Å; P244-F283 HydrophobicContact CG-CE2 3.66Å; P244-F283 HydrophobicContact CG-CZ 3.8Å |
| 245 | R | 92.8 | Very high | 95.6 | Very high | 172 Ų | 172 | 53.3 Ų | 53.3 | 65% | 0.649 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -69.6 | -21.8 | 170.8 | -69.7 | 174.5 | 67.9 | 165.7 | 1.5 | 114.2 | H243 F283 | H243-R245 WeakPolarHBondContact CE1-CD 3.5Å; H243-R245 VanDerWaalsContact CE1-CG 3.46Å; H243-R245 WeakPolarHBondContact CE1-CG 3.45Å; H243-R245 WeakPolarHBondContact ND1-CB 3.28Å; H243-R245 WeakPolarHBondContact ND1-CG 3.37Å; H243-R245 PolarHBondContact ND1-N 2.93Å; H243-R245 PolarHBondContact O-N 3.47Å; R245-F283 HydrophobicContact CG-CE1 3.71Å; R245-F283 HydrophobicContact CG-CZ 4.32Å |
| 246 | Y | 91.8 | Very high | 95.5 | Very high | 186 Ų | 186 | 53.3 Ų | 53.3 | 73% | 0.729 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -82.2 | -5.2 | 174 | -65.3 | -61.8 | 0 | 0 | 0 | 112.9 | H243 P244 | H243-Y246 HydrophobicContact CB-CD2 3.67Å; H243-Y246 HydrophobicContact CB-CE2 3.84Å; H243-Y246 PolarHBondContact O-N 3.08Å; P244-Y246 VanDerWaalsContact C-N 3.3Å |
| 247 | L | 95.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -96.7 | 139.6 | 176.1 | -58.1 | 175.1 | 0 | 0 | 0 | 109.5 | L220 V242 P244 Q251 R252 L255 W279 | L220-L247 HydrophobicContact CD1-CD2 4.27Å; L220-L247 HydrophobicContact CD2-CD2 4.09Å; V242-L247 HydrophobicContact CG1-CD2 3.98Å; V242-L247 HydrophobicContact CG1-CG 4.13Å; P244-L247 PolarHBondContact O-N 2.99Å; L247-Q251 HydrophobicContact CB-CB 4.1Å; L247-R252 HydrophobicContact CB-CG 3.85Å; L247-R252 HydrophobicContact CD1-CG 4.48Å; L247-R252 PolarHBondContact O-NH1 3.3Å; L247-R252 VanDerWaalsContact O-NH1 3.15Å; L247-L255 HydrophobicContact CD1-CD1 3.63Å; L247-W279 HydrophobicContact CD1-CH2 4.16Å; L247-W279 HydrophobicContact CD1-CZ2 3.93Å |
| 248 | T | 95.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 53.1 Ų | 53.1 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | trans | -65.5 | 161.8 | 170.2 | 71 | 0 | 0 | 0 | 0 | 110.3 | S250 Q251 R252 | T248-S250 VanDerWaalsContact C-N 3.3Å; T248-S250 PolarHBondContact O-N 2.98Å; T248-Q251 WeakPolarHBondContact O-CB 3.25Å; T248-Q251 PolarHBondContact O-N 2.65Å; T248-Q251 VanDerWaalsContact O-N 3.11Å; T248-Q251 VanDerWaalsContact OG1-CG 3.31Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.45Å; T248-Q251 PolarHBondContact OG1-N 3.08Å; T248-R252 PolarHBondContact O-N 3.24Å | ||
| 249 | I | 95.2 | Very high | 95.8 | Very high | 51 Ų | 51 | 53.1 Ų | 53.1 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 178.6 | -63.2 | 166.1 | 0 | 0 | 0 | 110.3 | Q251 R252 C253 E295 | I249-Q251 VanDerWaalsContact C-N 3.33Å; I249-Q251 PolarHBondContact O-N 2.85Å; I249-R252 PolarHBondContact O-N 3.01Å; I249-R252 VanDerWaalsContact O-N 3.14Å; I249-C253 PolarHBondContact O-N 3.1Å; I249-C253 PolarHBondContact O-SG 3.47Å; I249-E295 HydrophobicContact CD1-CG 4.01Å; I249-E295 WeakPolarHBondContact CD1-OE1 3.39Å; I249-E295 HydrophobicContact CG2-CB 4.38Å; I249-E295 HydrophobicContact CG2-CG 4.03Å |
| 250 | S | 95.7 | Very high | 95.8 | Very high | 78 Ų | 78 | 52.5 Ų | 52.5 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 174.7 | -177.9 | 0 | 0 | 0 | 0 | 113 | T248 G254 | T248-S250 VanDerWaalsContact C-N 3.3Å; T248-S250 PolarHBondContact O-N 2.98Å; S250-G254 PolarHBondContact O-N 3.47Å |
| 251 | Q | 96.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.5 | -73.6 | 170.2 | -22.3 | 0 | 0 | 111.9 | L220 L247 T248 I249 G254 L255 | L220-Q251 HydrophobicContact CD1-CG 4.31Å; L247-Q251 HydrophobicContact CB-CB 4.1Å; T248-Q251 WeakPolarHBondContact O-CB 3.25Å; T248-Q251 PolarHBondContact O-N 2.65Å; T248-Q251 VanDerWaalsContact O-N 3.11Å; T248-Q251 VanDerWaalsContact OG1-CG 3.31Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.45Å; T248-Q251 PolarHBondContact OG1-N 3.08Å; I249-Q251 VanDerWaalsContact C-N 3.33Å; I249-Q251 PolarHBondContact O-N 2.85Å; Q251-G254 PolarHBondContact O-N 3.23Å; Q251-L255 WeakPolarHBondContact O-CB 3.43Å; Q251-L255 WeakPolarHBondContact O-CD1 3.21Å; Q251-L255 VanDerWaalsContact O-CG 3.25Å; Q251-L255 WeakPolarHBondContact O-CG 3.47Å; Q251-L255 PolarHBondContact O-N 3.32Å |
| 252 | R | 97.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -53.5 | 176.4 | -74.6 | -161.8 | -69.8 | -101.4 | 2.4 | 111.4 | P244 L247 T248 I249 G254 L255 L256 W279 R293 L294 | P244-R252 PolarHBondContact O-NH1 3.1Å; L247-R252 HydrophobicContact CB-CG 3.85Å; L247-R252 HydrophobicContact CD1-CG 4.48Å; L247-R252 PolarHBondContact O-NH1 3.3Å; L247-R252 VanDerWaalsContact O-NH1 3.15Å; T248-R252 PolarHBondContact O-N 3.24Å; I249-R252 PolarHBondContact O-N 3.01Å; I249-R252 VanDerWaalsContact O-N 3.14Å; R252-G254 VanDerWaalsContact C-N 3.34Å; R252-G254 PolarHBondContact O-N 3.37Å; R252-L255 PolarHBondContact O-N 3.04Å; R252-L256 WeakPolarHBondContact O-CG 3.37Å; R252-L256 PolarHBondContact O-N 2.82Å; R252-W279 HydrophobicContact CB-CH2 3.98Å; R252-W279 HydrophobicContact CB-CZ3 3.74Å; R252-W279 HydrophobicContact CG-CH2 3.85Å; R252-W279 HydrophobicContact CG-CZ3 3.77Å; R252-R293 PolarHBondContact NE-O 3.35Å; R252-R293 VanDerWaalsContact NE-O 3.11Å; R252-R293 PolarHBondContact NH2-O 3.48Å; R252-L294 HydrophobicContact CB-CD2 3.99Å |
| 253 | C | 97.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | -179.5 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | I249 L255 L256 Q257 L294 R299 I302 | I249-C253 PolarHBondContact O-N 3.1Å; I249-C253 PolarHBondContact O-SG 3.47Å; C253-L255 PolarHBondContact O-N 3.21Å; C253-L256 PolarHBondContact O-N 2.62Å; C253-Q257 VanDerWaalsContact O-CB 3.29Å; C253-Q257 WeakPolarHBondContact O-CB 3.38Å; C253-Q257 PolarHBondContact O-N 3.05Å; C253-L294 PolarHBondContact SG-O 3.47Å; C253-R299 HydrophobicContact CB-CG 4.48Å; C253-I302 HydrophobicContact CB-CD1 3.82Å; C253-I302 HydrophobicContact CB-CG2 4.44Å |
| 254 | G | 96.8 | Very high | 96.6 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S250 Q251 R252 Q258 | S250-G254 PolarHBondContact O-N 3.47Å; Q251-G254 PolarHBondContact O-N 3.23Å; R252-G254 VanDerWaalsContact C-N 3.34Å; R252-G254 PolarHBondContact O-N 3.37Å; G254-Q258 WeakPolarHBondContact O-CB 3.44Å; G254-Q258 PolarHBondContact O-N 3.38Å |
| 255 | L | 98.5 | Very high | 96.7 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 176.7 | -73.8 | 165.1 | 0 | 0 | 0 | 112.4 | L220 C223 Y235 L238 L247 Q251 R252 C253 G259 W279 | L220-L255 HydrophobicContact CD2-CD1 3.94Å; L220-L255 HydrophobicContact CD2-CD2 4.24Å; L220-L255 HydrophobicContact CD2-CG 4.49Å; C223-L255 HydrophobicContact CB-CD2 4.09Å; Y235-L255 HydrophobicContact CE1-CB 4.41Å; Y235-L255 HydrophobicContact CE1-CD2 4.18Å; Y235-L255 PolarHBondContact OH-O 2.89Å; L238-L255 HydrophobicContact CD1-CD1 3.49Å; L238-L255 VanDerWaalsContact CD1-CD1 3.49Å; L238-L255 HydrophobicContact CD1-CD2 3.9Å; L238-L255 HydrophobicContact CD1-CG 4.36Å; L238-L255 HydrophobicContact CD2-CD1 4.26Å; L247-L255 HydrophobicContact CD1-CD1 3.63Å; Q251-L255 WeakPolarHBondContact O-CB 3.43Å; Q251-L255 WeakPolarHBondContact O-CD1 3.21Å; Q251-L255 VanDerWaalsContact O-CG 3.25Å; Q251-L255 WeakPolarHBondContact O-CG 3.47Å; Q251-L255 PolarHBondContact O-N 3.32Å; R252-L255 PolarHBondContact O-N 3.04Å; C253-L255 PolarHBondContact O-N 3.21Å; L255-G259 PolarHBondContact O-N 3.08Å; L255-W279 HydrophobicContact CB-CH2 4.35Å; L255-W279 HydrophobicContact CD1-CH2 4.2Å; L255-W279 HydrophobicContact CD1-CZ2 4.28Å |
| 256 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.4 | -53.4 | 178.3 | -72 | 167.1 | 0 | 0 | 0 | 110.8 | R252 C253 Q258 G259 L260 L275 L276 W279 L294 I302 V306 | R252-L256 WeakPolarHBondContact O-CG 3.37Å; R252-L256 PolarHBondContact O-N 2.82Å; C253-L256 PolarHBondContact O-N 2.62Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 3.18Å; L256-G259 PolarHBondContact O-N 3.13Å; L256-L260 VanDerWaalsContact O-CB 3.31Å; L256-L260 WeakPolarHBondContact O-CB 3.39Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.46Å; L256-L260 PolarHBondContact O-N 2.89Å; L256-L275 HydrophobicContact CD2-CD2 4.21Å; L256-L276 HydrophobicContact CD2-CD2 3.63Å; L256-W279 HydrophobicContact CD1-CE3 4.13Å; L256-W279 HydrophobicContact CD1-CZ3 3.72Å; L256-W279 HydrophobicContact CD2-CE3 4.16Å; L256-W279 HydrophobicContact CD2-CZ3 4.12Å; L256-W279 HydrophobicContact CG-CE3 4.27Å; L256-W279 HydrophobicContact CG-CH2 4.4Å; L256-W279 HydrophobicContact CG-CZ3 3.76Å; L256-L294 HydrophobicContact CD1-CD1 3.75Å; L256-L294 HydrophobicContact CD1-CD2 3.67Å; L256-L294 HydrophobicContact CD1-CG 4.39Å; L256-I302 HydrophobicContact CB-CG2 4.26Å; L256-V306 HydrophobicContact CB-CG2 4.19Å; L256-V306 HydrophobicContact CD1-CG2 3.89Å; L256-V306 HydrophobicContact CD2-CG2 4.22Å; L256-V306 HydrophobicContact CG-CG2 4.33Å |
| 257 | Q | 97.5 | Very high | 97.3 | Very high | 88 Ų | 88 | 37.5 Ų | 37.5 | 41% | 0.411 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.1 | -50.1 | 178.3 | -174.7 | -178.4 | 36 | 0 | 0 | 110.8 | C253 S261 I302 | C253-Q257 VanDerWaalsContact O-CB 3.29Å; C253-Q257 WeakPolarHBondContact O-CB 3.38Å; C253-Q257 PolarHBondContact O-N 3.05Å; Q257-S261 WeakPolarHBondContact O-CB 3.24Å; Q257-S261 PolarHBondContact O-N 2.93Å; Q257-S261 VanDerWaalsContact O-N 3.16Å; Q257-S261 PolarHBondContact O-OG 3.2Å; Q257-I302 HydrophobicContact CB-CD1 4.01Å; Q257-I302 HydrophobicContact CB-CG1 4.09Å; Q257-I302 HydrophobicContact CB-CG2 4.31Å; Q257-I302 HydrophobicContact CG-CD1 4.39Å; Q257-I302 HydrophobicContact CG-CG1 4.24Å |
| 258 | Q | 97.7 | Very high | 97.4 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | -178.4 | -177 | -177.8 | -25.9 | 0 | 0 | 112.9 | C223 R224 G254 L256 D262 | C223-Q258 PolarHBondContact O-NE2 3.08Å; R224-Q258 VanDerWaalsContact CG-CD 3.47Å; G254-Q258 WeakPolarHBondContact O-CB 3.44Å; G254-Q258 PolarHBondContact O-N 3.38Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 3.18Å; Q258-D262 WeakPolarHBondContact O-CA 3.46Å; Q258-D262 WeakPolarHBondContact O-CB 3.43Å; Q258-D262 PolarHBondContact O-N 3.5Å |
| 259 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.9 | -42.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y235 L255 L256 S261 D262 C271 | Y235-G259 WeakPolarHBondContact OH-CA 3.48Å; Y235-G259 PolarHBondContact OH-N 3.14Å; Y235-G259 VanDerWaalsContact OH-N 3.09Å; L255-G259 PolarHBondContact O-N 3.08Å; L256-G259 PolarHBondContact O-N 3.13Å; G259-S261 VanDerWaalsContact C-N 3.34Å; G259-D262 WeakPolarHBondContact O-CB 3.4Å; G259-D262 PolarHBondContact O-N 3.03Å; G259-C271 VanDerWaalsContact CA-SG 3.52Å |
| 260 | L | 98 | Very high | 97.7 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.7 | -27.6 | 179.4 | -63.2 | 174.9 | 0 | 0 | 0 | 112.3 | L256 R268 C271 E272 L276 Q305 V306 A309 | L256-L260 VanDerWaalsContact O-CB 3.31Å; L256-L260 WeakPolarHBondContact O-CB 3.39Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.46Å; L256-L260 PolarHBondContact O-N 2.89Å; L260-R268 VanDerWaalsContact O-CD 3.32Å; L260-R268 WeakPolarHBondContact O-CD 3.36Å; L260-C271 HydrophobicContact CD2-CB 4.02Å; L260-E272 HydrophobicContact CD2-CG 3.77Å; L260-L276 HydrophobicContact CD2-CD1 4.11Å; L260-L276 HydrophobicContact CD2-CG 4.47Å; L260-Q305 HydrophobicContact CD1-CB 4.39Å; L260-V306 HydrophobicContact CD1-CG2 3.95Å; L260-A309 HydrophobicContact CD1-CB 4.22Å; L260-A309 HydrophobicContact CD2-CB 3.78Å |
| 261 | S | 97 | Very high | 97.9 | Very high | 74 Ų | 74 | 36 Ų | 36 | 52% | 0.517 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 9.2 | 175.4 | 69.2 | 0 | 0 | 0 | 0 | 114.4 | Q257 G259 | Q257-S261 WeakPolarHBondContact O-CB 3.24Å; Q257-S261 PolarHBondContact O-N 2.93Å; Q257-S261 VanDerWaalsContact O-N 3.16Å; Q257-S261 PolarHBondContact O-OG 3.2Å; G259-S261 VanDerWaalsContact C-N 3.34Å |
| 262 | D | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | trans | -57.3 | 141.2 | -173.6 | -163.5 | -72 | 0 | 0 | 0 | 112.4 | R231 Q258 G259 S264 L267 R268 | R231-D262 IonicContact CZ-OD1 3.73Å; R231-D262 IonicContact CZ-OD2 2.68Å; R231-D262 IonicContact NH1-OD1 2.85Å; R231-D262 PolarHBondContact NH1-OD1 3.12Å; R231-D262 IonicContact NH1-OD2 3.74Å; R231-D262 PolarHBondContact NH1-OD2 3.46Å; R231-D262 IonicContact NH2-OD1 3.87Å; R231-D262 PolarHBondContact NH2-OD1 2.89Å; Q258-D262 WeakPolarHBondContact O-CA 3.46Å; Q258-D262 WeakPolarHBondContact O-CB 3.43Å; Q258-D262 PolarHBondContact O-N 3.5Å; G259-D262 WeakPolarHBondContact O-CB 3.4Å; G259-D262 PolarHBondContact O-N 3.03Å; D262-S264 PolarHBondContact O-N 3.03Å; D262-S264 WeakPolarHBondContact OD1-CB 3.33Å; D262-S264 PolarHBondContact OD1-N 2.58Å; D262-L267 HydrophobicContact CB-CB 4.48Å; D262-L267 HydrophobicContact CB-CD2 4.37Å; D262-L267 HydrophobicContact CB-CG 4.17Å; D262-L267 VanDerWaalsContact CG-CD2 3.46Å; D262-L267 WeakPolarHBondContact OD2-CD2 3.46Å; D262-R268 HydrophobicContact CB-CG 3.77Å; D262-R268 WeakPolarHBondContact O-CD 3.34Å; D262-R268 WeakPolarHBondContact O-CG 3.3Å; D262-R268 PolarHBondContact O-NH1 3.13Å | ||
| 263 | S | 97.5 | Very high | 97.8 | Very high | 96 Ų | 96 | 36.2 Ų | 36.2 | 67% | 0.671 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -62.1 | -27.6 | 177.8 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | R231 A265 R268 | R231-S263 PolarHBondContact NH2-OG 3.43Å; S263-A265 PolarHBondContact O-N 3.3Å; S263-R268 VanDerWaalsContact C-NH1 3.3Å; S263-R268 PolarHBondContact O-NH1 2.89Å |
| 264 | S | 98.3 | Very high | 97.9 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 16% | 0.161 | 23% | 0.231 | C | C | . | . | trans | -84.6 | 110.3 | -178.6 | 168 | 0 | 0 | 0 | 0 | 111.2 | D262 L267 R268 | D262-S264 PolarHBondContact O-N 3.03Å; D262-S264 WeakPolarHBondContact OD1-CB 3.33Å; D262-S264 PolarHBondContact OD1-N 2.58Å; S264-L267 WeakPolarHBondContact O-CA 3.12Å; S264-L267 WeakPolarHBondContact O-CB 3.35Å; S264-L267 PolarHBondContact O-N 2.93Å; S264-R268 PolarHBondContact O-N 3.26Å | ||
| 265 | A | 97.8 | Very high | 97.9 | Very high | 47 Ų | 47 | 37.9 Ų | 37.9 | 39% | 0.388 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -52.8 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | S263 L267 R268 T269 | S263-A265 PolarHBondContact O-N 3.3Å; A265-L267 PolarHBondContact O-N 2.92Å; A265-L267 VanDerWaalsContact O-N 3.17Å; A265-R268 PolarHBondContact O-N 3.42Å; A265-T269 PolarHBondContact O-N 3.09Å; A265-T269 PolarHBondContact O-OG1 2.85Å; A265-T269 VanDerWaalsContact O-OG1 3.08Å |
| 266 | P | 98.1 | Very high | 97.8 | Very high | 73 Ų | 73 | 37.6 Ų | 37.6 | 47% | 0.474 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.9 | -23.6 | 175.2 | -25.2 | 34.9 | 0 | 0 | 0 | 115.2 | F270 | P266-F270 WeakPolarHBondContact O-CB 3.46Å; P266-F270 PolarHBondContact O-N 2.72Å |
| 267 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -84 | -44.5 | 175.9 | 178.4 | 47.8 | 0 | 0 | 0 | 110.3 | R231 R232 Y235 D262 S264 A265 T269 F270 C271 | R231-L267 HydrophobicContact CB-CD2 3.58Å; R232-L267 HydrophobicContact CB-CD1 4.16Å; R232-L267 HydrophobicContact CB-CD2 4.49Å; R232-L267 HydrophobicContact CG-CD1 4.34Å; Y235-L267 HydrophobicContact CD2-CD1 3.84Å; Y235-L267 HydrophobicContact CD2-CD2 4.25Å; Y235-L267 HydrophobicContact CE2-CD2 4.48Å; Y235-L267 HydrophobicContact CG-CD1 4.05Å; D262-L267 HydrophobicContact CB-CB 4.48Å; D262-L267 HydrophobicContact CB-CD2 4.37Å; D262-L267 HydrophobicContact CB-CG 4.17Å; D262-L267 VanDerWaalsContact CG-CD2 3.46Å; D262-L267 WeakPolarHBondContact OD2-CD2 3.46Å; S264-L267 WeakPolarHBondContact O-CA 3.12Å; S264-L267 WeakPolarHBondContact O-CB 3.35Å; S264-L267 PolarHBondContact O-N 2.93Å; A265-L267 PolarHBondContact O-N 2.92Å; A265-L267 VanDerWaalsContact O-N 3.17Å; L267-T269 VanDerWaalsContact C-N 3.32Å; L267-T269 PolarHBondContact O-N 2.86Å; L267-F270 HydrophobicContact CD1-CD1 4.4Å; L267-F270 WeakPolarHBondContact O-CA 3.4Å; L267-F270 WeakPolarHBondContact O-CB 3.43Å; L267-F270 PolarHBondContact O-N 3.47Å; L267-C271 PolarHBondContact O-N 3.45Å; L267-C271 PolarHBondContact O-SG 2.86Å |
| 268 | R | 98.2 | Very high | 97.6 | Very high | 80 Ų | 80 | 41.5 Ų | 41.5 | 30% | 0.302 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -53.5 | -50.1 | 171.8 | -67.2 | -164.1 | -59 | -87.3 | 4.2 | 111.7 | L260 D262 S263 S264 A265 F270 C271 E272 | L260-R268 VanDerWaalsContact O-CD 3.32Å; L260-R268 WeakPolarHBondContact O-CD 3.36Å; D262-R268 HydrophobicContact CB-CG 3.77Å; D262-R268 WeakPolarHBondContact O-CD 3.34Å; D262-R268 WeakPolarHBondContact O-CG 3.3Å; D262-R268 PolarHBondContact O-NH1 3.13Å; S263-R268 VanDerWaalsContact C-NH1 3.3Å; S263-R268 PolarHBondContact O-NH1 2.89Å; S264-R268 PolarHBondContact O-N 3.26Å; A265-R268 PolarHBondContact O-N 3.42Å; R268-F270 VanDerWaalsContact C-N 3.27Å; R268-F270 PolarHBondContact O-N 3.47Å; R268-C271 CarbonylContact O-C 3.46Å; R268-C271 WeakPolarHBondContact O-CA 3.45Å; R268-C271 WeakPolarHBondContact O-CB 3.27Å; R268-C271 PolarHBondContact O-N 3.36Å; R268-E272 WeakPolarHBondContact O-CG 3.29Å; R268-E272 PolarHBondContact O-N 3.1Å |
| 269 | T | 97.9 | Very high | 97.6 | Very high | 73 Ų | 73 | 40 Ų | 40 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.8 | -36.7 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | A265 L267 C271 E272 T273 | A265-T269 PolarHBondContact O-N 3.09Å; A265-T269 PolarHBondContact O-OG1 2.85Å; A265-T269 VanDerWaalsContact O-OG1 3.08Å; L267-T269 VanDerWaalsContact C-N 3.32Å; L267-T269 PolarHBondContact O-N 2.86Å; T269-C271 VanDerWaalsContact C-N 3.34Å; T269-E272 PolarHBondContact O-N 2.81Å; T269-T273 HydrophobicContact CG2-CG2 4.37Å; T269-T273 WeakPolarHBondContact O-CB 3.41Å; T269-T273 PolarHBondContact O-N 3.1Å; T269-T273 PolarHBondContact O-OG1 3.14Å |
| 270 | F | 98.4 | Very high | 97.4 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 13% | 0.127 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 173.4 | 177.5 | -87.3 | 0 | 0 | 0 | 111.4 | K236 V239 P266 L267 R268 V274 L275 | K236-F270 HydrophobicContact CB-CZ 4.16Å; V239-F270 HydrophobicContact CG2-CE1 4.19Å; V239-F270 HydrophobicContact CG2-CZ 4.36Å; P266-F270 WeakPolarHBondContact O-CB 3.46Å; P266-F270 PolarHBondContact O-N 2.72Å; L267-F270 HydrophobicContact CD1-CD1 4.4Å; L267-F270 WeakPolarHBondContact O-CA 3.4Å; L267-F270 WeakPolarHBondContact O-CB 3.43Å; L267-F270 PolarHBondContact O-N 3.47Å; R268-F270 VanDerWaalsContact C-N 3.27Å; R268-F270 PolarHBondContact O-N 3.47Å; F270-V274 HydrophobicContact CD2-CB 3.93Å; F270-V274 HydrophobicContact CD2-CG1 4.35Å; F270-V274 HydrophobicContact CD2-CG2 3.87Å; F270-V274 HydrophobicContact CE1-CB 4.41Å; F270-V274 HydrophobicContact CE2-CB 3.77Å; F270-V274 HydrophobicContact CE2-CG1 3.68Å; F270-V274 HydrophobicContact CE2-CG2 3.99Å; F270-V274 HydrophobicContact CG-CB 4.34Å; F270-V274 HydrophobicContact CZ-CB 4.01Å; F270-V274 HydrophobicContact CZ-CG1 3.76Å; F270-V274 WeakPolarHBondContact O-CA 3.42Å; F270-V274 VanDerWaalsContact O-CB 3.28Å; F270-V274 WeakPolarHBondContact O-CB 3.33Å; F270-V274 PolarHBondContact O-N 2.83Å; F270-L275 PolarHBondContact O-N 3Å; F270-L275 VanDerWaalsContact O-N 3.08Å |
| 271 | C | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -67 | -45.1 | 176.3 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | G259 L260 L267 R268 T269 T273 L275 L276 | G259-C271 VanDerWaalsContact CA-SG 3.52Å; L260-C271 HydrophobicContact CD2-CB 4.02Å; L267-C271 PolarHBondContact O-N 3.45Å; L267-C271 PolarHBondContact O-SG 2.86Å; R268-C271 CarbonylContact O-C 3.46Å; R268-C271 WeakPolarHBondContact O-CA 3.45Å; R268-C271 WeakPolarHBondContact O-CB 3.27Å; R268-C271 PolarHBondContact O-N 3.36Å; T269-C271 VanDerWaalsContact C-N 3.34Å; C271-T273 VanDerWaalsContact C-N 3.35Å; C271-T273 PolarHBondContact O-N 2.86Å; C271-L275 HydrophobicContact CB-CB 4.38Å; C271-L275 HydrophobicContact CB-CD2 4.19Å; C271-L275 WeakPolarHBondContact O-CB 3.36Å; C271-L276 WeakPolarHBondContact O-CG 3.34Å; C271-L276 PolarHBondContact O-N 2.84Å; C271-L276 VanDerWaalsContact O-N 3.1Å |
| 272 | E | 97.7 | Very high | 97.1 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -63.4 | -35.5 | 179.5 | -69.6 | 173.1 | 145.6 | 0 | 0 | 112.7 | L260 R268 T269 A309 K312 N313 | L260-E272 HydrophobicContact CD2-CG 3.77Å; R268-E272 WeakPolarHBondContact O-CG 3.29Å; R268-E272 PolarHBondContact O-N 3.1Å; T269-E272 PolarHBondContact O-N 2.81Å; E272-A309 HydrophobicContact CG-CB 4.02Å; E272-K312 IonicContact OE1-NZ 3.62Å; E272-K312 PolarHBondContact OE1-NZ 2.88Å; E272-N313 PolarHBondContact O-ND2 2.88Å |
| 273 | T | 96.2 | Very high | 96.8 | Very high | 64 Ų | 64 | 42.7 Ų | 42.7 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -110.4 | -24.4 | -171.7 | 61.4 | 0 | 0 | 0 | 0 | 115.3 | T269 C271 D277 | T269-T273 HydrophobicContact CG2-CG2 4.37Å; T269-T273 WeakPolarHBondContact O-CB 3.41Å; T269-T273 PolarHBondContact O-N 3.1Å; T269-T273 PolarHBondContact O-OG1 3.14Å; C271-T273 VanDerWaalsContact C-N 3.35Å; C271-T273 PolarHBondContact O-N 2.86Å; T273-D277 WeakPolarHBondContact O-CB 3.4Å |
| 274 | V | 97.8 | Very high | 96.4 | Very high | 52 Ų | 52 | 41.3 Ų | 41.3 | 32% | 0.315 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -114.5 | -47.5 | -175.8 | -174.5 | 0 | 0 | 0 | 0 | 112 | V239 F270 K278 | V239-V274 HydrophobicContact CG1-CG1 4.43Å; F270-V274 HydrophobicContact CD2-CB 3.93Å; F270-V274 HydrophobicContact CD2-CG1 4.35Å; F270-V274 HydrophobicContact CD2-CG2 3.87Å; F270-V274 HydrophobicContact CE1-CB 4.41Å; F270-V274 HydrophobicContact CE2-CB 3.77Å; F270-V274 HydrophobicContact CE2-CG1 3.68Å; F270-V274 HydrophobicContact CE2-CG2 3.99Å; F270-V274 HydrophobicContact CG-CB 4.34Å; F270-V274 HydrophobicContact CZ-CB 4.01Å; F270-V274 HydrophobicContact CZ-CG1 3.76Å; F270-V274 WeakPolarHBondContact O-CA 3.42Å; F270-V274 VanDerWaalsContact O-CB 3.28Å; F270-V274 WeakPolarHBondContact O-CB 3.33Å; F270-V274 PolarHBondContact O-N 2.83Å; V274-K278 WeakPolarHBondContact O-CB 3.43Å; V274-K278 VanDerWaalsContact O-CG 3.27Å; V274-K278 WeakPolarHBondContact O-CG 3.25Å; V274-K278 PolarHBondContact O-N 3.22Å; V274-K278 VanDerWaalsContact O-N 3.14Å |
| 275 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -64.1 | -50.7 | 178.6 | 177.5 | 70.2 | 0 | 0 | 0 | 110.5 | Y235 L238 V239 L256 F270 C271 K278 W279 | Y235-L275 HydrophobicContact CD1-CD2 4.01Å; Y235-L275 HydrophobicContact CE1-CD2 3.92Å; L238-L275 HydrophobicContact CD2-CD1 4.2Å; V239-L275 HydrophobicContact CG2-CB 4.24Å; V239-L275 HydrophobicContact CG2-CD1 3.44Å; V239-L275 VanDerWaalsContact CG2-CD1 3.44Å; V239-L275 HydrophobicContact CG2-CG 4.46Å; L256-L275 HydrophobicContact CD2-CD2 4.21Å; F270-L275 PolarHBondContact O-N 3Å; F270-L275 VanDerWaalsContact O-N 3.08Å; C271-L275 HydrophobicContact CB-CB 4.38Å; C271-L275 HydrophobicContact CB-CD2 4.19Å; C271-L275 WeakPolarHBondContact O-CB 3.36Å; L275-K278 PolarHBondContact O-N 3.34Å; L275-W279 HydrophobicContact CD1-CD2 4.35Å; L275-W279 HydrophobicContact CD1-CG 4.44Å; L275-W279 HydrophobicContact CD1-CZ2 4.02Å; L275-W279 VanDerWaalsContact CD1-NE1 3.32Å; L275-W279 WeakPolarHBondContact O-CB 3.42Å; L275-W279 VanDerWaalsContact O-CD1 3.25Å; L275-W279 PolarHBondContact O-N 2.85Å |
| 276 | L | 96.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -48.7 | -178.9 | -73.6 | -176.3 | 0 | 0 | 0 | 111.9 | L256 L260 C271 K278 W279 L280 V306 A309 | L256-L276 HydrophobicContact CD2-CD2 3.63Å; L260-L276 HydrophobicContact CD2-CD1 4.11Å; L260-L276 HydrophobicContact CD2-CG 4.47Å; C271-L276 WeakPolarHBondContact O-CG 3.34Å; C271-L276 PolarHBondContact O-N 2.84Å; C271-L276 VanDerWaalsContact O-N 3.1Å; L276-K278 VanDerWaalsContact C-N 3.34Å; L276-K278 PolarHBondContact O-N 2.99Å; L276-W279 PolarHBondContact O-N 3.4Å; L276-W279 VanDerWaalsContact O-N 3.07Å; L276-L280 WeakPolarHBondContact O-CG 3.41Å; L276-L280 PolarHBondContact O-N 3.27Å; L276-V306 HydrophobicContact CD2-CG1 4.03Å; L276-A309 HydrophobicContact CD1-CB 3.5Å; L276-A309 VanDerWaalsContact CD1-CB 3.5Å |
| 277 | D | 95.5 | Very high | 95.3 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 43% | 0.428 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -52.5 | -50.9 | 176.2 | 179.1 | 71 | 0 | 0 | 0 | 111.8 | T273 W279 L280 D281 | T273-D277 WeakPolarHBondContact O-CB 3.4Å; D277-W279 VanDerWaalsContact C-N 3.27Å; D277-W279 PolarHBondContact O-N 3.46Å; D277-L280 PolarHBondContact O-N 3.43Å; D277-D281 PolarHBondContact O-N 3.18Å |
| 278 | K | 96.1 | Very high | 95.1 | Very high | 90 Ų | 90 | 41.3 Ų | 41.3 | 39% | 0.391 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.3 | -29.9 | 179.1 | -72.3 | -79.5 | 150.1 | -104.7 | 0 | 113.5 | V239 V274 L275 L276 D281 A282 | V239-K278 HydrophobicContact CG1-CB 3.86Å; V239-K278 HydrophobicContact CG1-CD 4.32Å; V239-K278 HydrophobicContact CG1-CG 3.63Å; V274-K278 WeakPolarHBondContact O-CB 3.43Å; V274-K278 VanDerWaalsContact O-CG 3.27Å; V274-K278 WeakPolarHBondContact O-CG 3.25Å; V274-K278 PolarHBondContact O-N 3.22Å; V274-K278 VanDerWaalsContact O-N 3.14Å; L275-K278 PolarHBondContact O-N 3.34Å; L276-K278 VanDerWaalsContact C-N 3.34Å; L276-K278 PolarHBondContact O-N 2.99Å; K278-D281 IonicContact NZ-OD2 3.55Å; K278-D281 PolarHBondContact NZ-OD2 2.89Å; K278-A282 WeakPolarHBondContact O-CB 3.36Å; K278-A282 PolarHBondContact O-N 3.14Å |
| 279 | W | 96.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -80.4 | -36.5 | 177.7 | -79.3 | 33.1 | 0 | 0 | 0 | 111.7 | L238 P244 L247 R252 L255 L256 L275 L276 D277 A282 F283 L290 | L238-W279 HydrophobicContact CD2-CZ2 4.01Å; P244-W279 HydrophobicContact CB-CD2 3.84Å; P244-W279 HydrophobicContact CB-CE3 4.24Å; P244-W279 HydrophobicContact CB-CG 4.24Å; P244-W279 HydrophobicContact CB-CZ2 4.13Å; P244-W279 HydrophobicContact CG-CD2 4.32Å; P244-W279 HydrophobicContact CG-CG 4.19Å; L247-W279 HydrophobicContact CD1-CH2 4.16Å; L247-W279 HydrophobicContact CD1-CZ2 3.93Å; R252-W279 HydrophobicContact CB-CH2 3.98Å; R252-W279 HydrophobicContact CB-CZ3 3.74Å; R252-W279 HydrophobicContact CG-CH2 3.85Å; R252-W279 HydrophobicContact CG-CZ3 3.77Å; L255-W279 HydrophobicContact CB-CH2 4.35Å; L255-W279 HydrophobicContact CD1-CH2 4.2Å; L255-W279 HydrophobicContact CD1-CZ2 4.28Å; L256-W279 HydrophobicContact CD1-CE3 4.13Å; L256-W279 HydrophobicContact CD1-CZ3 3.72Å; L256-W279 HydrophobicContact CD2-CE3 4.16Å; L256-W279 HydrophobicContact CD2-CZ3 4.12Å; L256-W279 HydrophobicContact CG-CE3 4.27Å; L256-W279 HydrophobicContact CG-CH2 4.4Å; L256-W279 HydrophobicContact CG-CZ3 3.76Å; L275-W279 HydrophobicContact CD1-CD2 4.35Å; L275-W279 HydrophobicContact CD1-CG 4.44Å; L275-W279 HydrophobicContact CD1-CZ2 4.02Å; L275-W279 VanDerWaalsContact CD1-NE1 3.32Å; L275-W279 WeakPolarHBondContact O-CB 3.42Å; L275-W279 VanDerWaalsContact O-CD1 3.25Å; L275-W279 PolarHBondContact O-N 2.85Å; L276-W279 PolarHBondContact O-N 3.4Å; L276-W279 VanDerWaalsContact O-N 3.07Å; D277-W279 VanDerWaalsContact C-N 3.27Å; D277-W279 PolarHBondContact O-N 3.46Å; W279-A282 PolarHBondContact O-N 3.06Å; W279-F283 WeakPolarHBondContact O-CD2 3.36Å; W279-F283 PolarHBondContact O-N 3.36Å; W279-L290 HydrophobicContact CE3-CD1 4.4Å |
| 280 | L | 94.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -50.5 | 170.4 | -71.6 | 168.2 | 0 | 0 | 0 | 110.2 | L276 D277 A282 F283 G284 G285 I287 L290 Y310 | L276-L280 WeakPolarHBondContact O-CG 3.41Å; L276-L280 PolarHBondContact O-N 3.27Å; D277-L280 PolarHBondContact O-N 3.43Å; L280-A282 VanDerWaalsContact C-N 3.26Å; L280-A282 PolarHBondContact O-N 2.97Å; L280-F283 CarbonylContact O-C 3.59Å; L280-F283 PolarHBondContact O-N 3.27Å; L280-G284 PolarHBondContact O-N 2.96Å; L280-G285 WeakPolarHBondContact O-CA 3.47Å; L280-G285 PolarHBondContact O-N 2.95Å; L280-I287 HydrophobicContact CD2-CB 4.03Å; L280-I287 HydrophobicContact CD2-CD1 3.84Å; L280-L290 HydrophobicContact CD2-CB 4.09Å; L280-L290 HydrophobicContact CD2-CD2 3.83Å; L280-L290 HydrophobicContact CG-CD2 4.25Å; L280-Y310 HydrophobicContact CD1-CD2 3.67Å; L280-Y310 HydrophobicContact CD1-CE2 3.83Å |
| 281 | D | 95 | Very high | 94.7 | Very high | 91 Ų | 91 | 36 Ų | 36 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -50.7 | -46.7 | 173.3 | -76.7 | -18.8 | 0 | 0 | 0 | 111.8 | D277 K278 F283 G284 | D277-D281 PolarHBondContact O-N 3.18Å; K278-D281 IonicContact NZ-OD2 3.55Å; K278-D281 PolarHBondContact NZ-OD2 2.89Å; D281-F283 PolarHBondContact O-N 2.93Å; D281-G284 PolarHBondContact O-N 3.31Å |
| 282 | A | 94.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.8 | -17 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P244 K278 W279 L280 | P244-A282 HydrophobicContact CG-CB 3.56Å; K278-A282 WeakPolarHBondContact O-CB 3.36Å; K278-A282 PolarHBondContact O-N 3.14Å; W279-A282 PolarHBondContact O-N 3.06Å; L280-A282 VanDerWaalsContact C-N 3.26Å; L280-A282 PolarHBondContact O-N 2.97Å |
| 283 | F | 92.5 | Very high | 94.3 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 8% | 0.075 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 22.2 | 179.3 | -63.3 | -62.5 | 0 | 0 | 0 | 113.4 | P244 R245 W279 L280 D281 D289 L290 R293 | P244-F283 HydrophobicContact CB-CE2 3.8Å; P244-F283 HydrophobicContact CB-CZ 3.82Å; P244-F283 HydrophobicContact CG-CD2 4.48Å; P244-F283 HydrophobicContact CG-CE2 3.66Å; P244-F283 HydrophobicContact CG-CZ 3.8Å; R245-F283 HydrophobicContact CG-CE1 3.71Å; R245-F283 HydrophobicContact CG-CZ 4.32Å; W279-F283 WeakPolarHBondContact O-CD2 3.36Å; W279-F283 PolarHBondContact O-N 3.36Å; L280-F283 CarbonylContact O-C 3.59Å; L280-F283 PolarHBondContact O-N 3.27Å; D281-F283 PolarHBondContact O-N 2.93Å; F283-D289 VanDerWaalsContact O-CB 3.28Å; F283-D289 WeakPolarHBondContact O-CB 3.44Å; F283-L290 HydrophobicContact CD2-CD1 3.57Å; F283-L290 HydrophobicContact CE2-CD1 3.81Å; F283-R293 HydrophobicContact CD1-CG 3.76Å; F283-R293 HydrophobicContact CE1-CB 4.36Å; F283-R293 HydrophobicContact CE1-CG 3.75Å; F283-R293 HydrophobicContact CG-CG 4.17Å; F283-R293 HydrophobicContact CZ-CB 4.29Å; F283-R293 HydrophobicContact CZ-CG 4.16Å |
| 284 | G | 87.9 | Confident | 94.3 | Very high | 67 Ų | 67 | 40.9 Ų | 40.9 | 69% | 0.691 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 99 | 3.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L280 D281 N286 | L280-G284 PolarHBondContact O-N 2.96Å; D281-G284 PolarHBondContact O-N 3.31Å; G284-N286 VanDerWaalsContact C-N 3.29Å; G284-N286 PolarHBondContact O-N 3.19Å |
| 285 | G | 88.7 | Confident | 94.1 | Very high | 48 Ų | 48 | 43 Ų | 43 | 50% | 0.495 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 84.2 | -6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L280 | L280-G285 WeakPolarHBondContact O-CA 3.47Å; L280-G285 PolarHBondContact O-N 2.95Å |
| 286 | N | 89.5 | Confident | 94.1 | Very high | 75 Ų | 75 | 43.1 Ų | 43.1 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | trans | -98.7 | 130.7 | 176.7 | -171.4 | -37.1 | 0 | 0 | 0 | 110.9 | G284 V288 D289 L290 | G284-N286 VanDerWaalsContact C-N 3.29Å; G284-N286 PolarHBondContact O-N 3.19Å; N286-V288 VanDerWaalsContact C-N 3.33Å; N286-V288 PolarHBondContact O-N 3.29Å; N286-V288 WeakPolarHBondContact OD1-CB 3.39Å; N286-V288 PolarHBondContact OD1-N 3.31Å; N286-D289 HydrophobicContact CB-CB 4.23Å; N286-D289 WeakPolarHBondContact CB-OD2 3.39Å; N286-D289 WeakPolarHBondContact O-CB 3.42Å; N286-D289 PolarHBondContact O-N 2.83Å; N286-L290 PolarHBondContact O-N 3.28Å | ||
| 287 | I | 94.2 | Very high | 94.1 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 178.1 | -177.5 | 60.9 | 0 | 0 | 0 | 113.2 | L280 D289 L290 L291 V306 L307 Y310 Y342 | L280-I287 HydrophobicContact CD2-CB 4.03Å; L280-I287 HydrophobicContact CD2-CD1 3.84Å; I287-D289 VanDerWaalsContact C-N 3.32Å; I287-D289 PolarHBondContact O-N 3.13Å; I287-L290 HydrophobicContact CD1-CD2 4.15Å; I287-L290 WeakPolarHBondContact O-CB 3.06Å; I287-L290 PolarHBondContact O-N 3.1Å; I287-L291 WeakPolarHBondContact O-CG 3.31Å; I287-L291 PolarHBondContact O-N 2.89Å; I287-V306 HydrophobicContact CD1-CG1 4.05Å; I287-L307 HydrophobicContact CD1-CD2 4.37Å; I287-L307 HydrophobicContact CG1-CD2 3.71Å; I287-Y310 HydrophobicContact CB-CD1 4.33Å; I287-Y310 HydrophobicContact CB-CE1 4.21Å; I287-Y310 HydrophobicContact CD1-CG 4.24Å; I287-Y310 HydrophobicContact CG1-CD1 4.07Å; I287-Y310 HydrophobicContact CG1-CE1 4.44Å; I287-Y310 HydrophobicContact CG1-CG 4.29Å; I287-Y310 HydrophobicContact CG2-CD1 4.45Å; I287-Y310 HydrophobicContact CG2-CE1 4.02Å; I287-Y342 HydrophobicContact CG2-CD2 3.79Å; I287-Y342 HydrophobicContact CG2-CE2 3.48Å; I287-Y342 VanDerWaalsContact CG2-CE2 3.48Å |
| 288 | V | 93.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 174.7 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | N286 L290 L291 N292 I325 E338 N339 | N286-V288 VanDerWaalsContact C-N 3.33Å; N286-V288 PolarHBondContact O-N 3.29Å; N286-V288 WeakPolarHBondContact OD1-CB 3.39Å; N286-V288 PolarHBondContact OD1-N 3.31Å; V288-L290 VanDerWaalsContact C-N 3.28Å; V288-L290 PolarHBondContact O-N 3.42Å; V288-L291 WeakPolarHBondContact O-CB 3.2Å; V288-L291 PolarHBondContact O-N 2.72Å; V288-L291 VanDerWaalsContact O-N 3.14Å; V288-N292 PolarHBondContact O-N 3.02Å; V288-N292 PolarHBondContact O-ND2 3.39Å; V288-I325 HydrophobicContact CG2-CG2 4.28Å; V288-E338 HydrophobicContact CG1-CB 3.77Å; V288-N339 WeakPolarHBondContact CG1-OD1 3.38Å |
| 289 | D | 92.7 | Very high | 94.1 | Very high | 71 Ų | 71 | 45.9 Ų | 45.9 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.8 | -31.4 | 175.3 | -73.3 | -35.4 | 0 | 0 | 0 | 112.5 | F283 N286 I287 R293 | F283-D289 VanDerWaalsContact O-CB 3.28Å; F283-D289 WeakPolarHBondContact O-CB 3.44Å; N286-D289 HydrophobicContact CB-CB 4.23Å; N286-D289 WeakPolarHBondContact CB-OD2 3.39Å; N286-D289 WeakPolarHBondContact O-CB 3.42Å; N286-D289 PolarHBondContact O-N 2.83Å; I287-D289 VanDerWaalsContact C-N 3.32Å; I287-D289 PolarHBondContact O-N 3.13Å; D289-R293 WeakPolarHBondContact O-CG 3.29Å |
| 290 | L | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69 | -44.3 | 169.7 | 172.2 | 61.2 | 0 | 0 | 0 | 111.3 | W279 L280 F283 N286 I287 V288 N292 R293 L294 V306 | W279-L290 HydrophobicContact CE3-CD1 4.4Å; L280-L290 HydrophobicContact CD2-CB 4.09Å; L280-L290 HydrophobicContact CD2-CD2 3.83Å; L280-L290 HydrophobicContact CG-CD2 4.25Å; F283-L290 HydrophobicContact CD2-CD1 3.57Å; F283-L290 HydrophobicContact CE2-CD1 3.81Å; N286-L290 PolarHBondContact O-N 3.28Å; I287-L290 HydrophobicContact CD1-CD2 4.15Å; I287-L290 WeakPolarHBondContact O-CB 3.06Å; I287-L290 PolarHBondContact O-N 3.1Å; V288-L290 VanDerWaalsContact C-N 3.28Å; V288-L290 PolarHBondContact O-N 3.42Å; L290-N292 VanDerWaalsContact C-N 3.3Å; L290-N292 PolarHBondContact O-N 3.33Å; L290-R293 WeakPolarHBondContact O-CA 3.3Å; L290-R293 WeakPolarHBondContact O-CB 3.28Å; L290-R293 PolarHBondContact O-N 3.31Å; L290-L294 HydrophobicContact CD1-CD1 4.47Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; L290-V306 HydrophobicContact CD2-CG1 4.15Å |
| 291 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 177.5 | -68.4 | -176.1 | 0 | 0 | 0 | 112.5 | I287 V288 R293 L294 V296 C303 L307 E338 | I287-L291 WeakPolarHBondContact O-CG 3.31Å; I287-L291 PolarHBondContact O-N 2.89Å; V288-L291 WeakPolarHBondContact O-CB 3.2Å; V288-L291 PolarHBondContact O-N 2.72Å; V288-L291 VanDerWaalsContact O-N 3.14Å; L291-R293 PolarHBondContact O-N 2.99Å; L291-L294 PolarHBondContact O-N 3.42Å; L291-V296 HydrophobicContact CB-CG2 3.94Å; L291-C303 HydrophobicContact CD2-CB 3.81Å; L291-L307 HydrophobicContact CD1-CD1 4.16Å; L291-L307 HydrophobicContact CD1-CD2 4.14Å; L291-L307 HydrophobicContact CD1-CG 4.38Å; L291-L307 HydrophobicContact CD2-CG 4.37Å; L291-E338 HydrophobicContact CB-CB 4.15Å; L291-E338 HydrophobicContact CB-CG 3.88Å; L291-E338 HydrophobicContact CD1-CB 4.36Å |
| 292 | N | 93.7 | Very high | 94.4 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -17 | 172.3 | -82.3 | -49.3 | 0 | 0 | 0 | 113.4 | V288 L290 E338 | V288-N292 PolarHBondContact O-N 3.02Å; V288-N292 PolarHBondContact O-ND2 3.39Å; L290-N292 VanDerWaalsContact C-N 3.3Å; L290-N292 PolarHBondContact O-N 3.33Å; N292-E338 HydrophobicContact CB-CG 4.5Å; N292-E338 VanDerWaalsContact OD1-CG 3.31Å; N292-E338 WeakPolarHBondContact OD1-CG 3.34Å; N292-E338 PolarHBondContact OD1-OE1 3.41Å |
| 293 | R | 95.2 | Very high | 94.6 | Very high | 116 Ų | 116 | 44.5 Ų | 44.5 | 44% | 0.438 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 2.1 | 178.5 | -52.5 | -59.8 | -177.2 | 153 | -1.4 | 113.6 | R252 F283 D289 L290 L291 | R252-R293 PolarHBondContact NE-O 3.35Å; R252-R293 VanDerWaalsContact NE-O 3.11Å; R252-R293 PolarHBondContact NH2-O 3.48Å; F283-R293 HydrophobicContact CD1-CG 3.76Å; F283-R293 HydrophobicContact CE1-CB 4.36Å; F283-R293 HydrophobicContact CE1-CG 3.75Å; F283-R293 HydrophobicContact CG-CG 4.17Å; F283-R293 HydrophobicContact CZ-CB 4.29Å; F283-R293 HydrophobicContact CZ-CG 4.16Å; D289-R293 WeakPolarHBondContact O-CG 3.29Å; L290-R293 WeakPolarHBondContact O-CA 3.3Å; L290-R293 WeakPolarHBondContact O-CB 3.28Å; L290-R293 PolarHBondContact O-N 3.31Å; L291-R293 PolarHBondContact O-N 2.99Å |
| 294 | L | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -4.3 | -174.6 | -60.1 | -179.1 | 0 | 0 | 0 | 114.5 | R252 C253 L256 L290 L291 V306 | R252-L294 HydrophobicContact CB-CD2 3.99Å; C253-L294 PolarHBondContact SG-O 3.47Å; L256-L294 HydrophobicContact CD1-CD1 3.75Å; L256-L294 HydrophobicContact CD1-CD2 3.67Å; L256-L294 HydrophobicContact CD1-CG 4.39Å; L290-L294 HydrophobicContact CD1-CD1 4.47Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; L291-L294 PolarHBondContact O-N 3.42Å; L294-V306 HydrophobicContact CD1-CG2 4.27Å |
| 295 | E | 92 | Very high | 95.4 | Very high | 98 Ų | 98 | 46.3 Ų | 46.3 | 46% | 0.458 | 25% | 0.247 | S | C | . | . | trans | 57.2 | 77.5 | -175.9 | -67.1 | 176 | -175.9 | 0 | 0 | 112.6 | I249 I297 S298 R299 | I249-E295 HydrophobicContact CD1-CG 4.01Å; I249-E295 WeakPolarHBondContact CD1-OE1 3.39Å; I249-E295 HydrophobicContact CG2-CB 4.38Å; I249-E295 HydrophobicContact CG2-CG 4.03Å; E295-I297 VanDerWaalsContact C-N 3.27Å; E295-I297 PolarHBondContact O-N 3.16Å; E295-I297 VanDerWaalsContact O-N 3.17Å; E295-S298 PolarHBondContact O-N 3.36Å; E295-S298 PolarHBondContact O-OG 2.89Å; E295-S298 PolarHBondContact OE2-OG 3.02Å; E295-R299 WeakPolarHBondContact O-CB 3.25Å; E295-R299 PolarHBondContact O-N 3.36Å; E295-R299 VanDerWaalsContact O-N 3.1Å | ||
| 296 | V | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -36.8 | -169.5 | -175.8 | 0 | 0 | 0 | 0 | 114.1 | L291 T300 E338 L341 F403 | L291-V296 HydrophobicContact CB-CG2 3.94Å; V296-T300 VanDerWaalsContact O-CA 3.24Å; V296-T300 WeakPolarHBondContact O-CA 3.45Å; V296-T300 PolarHBondContact O-N 3.26Å; V296-T300 PolarHBondContact O-OG1 3.46Å; V296-E338 HydrophobicContact CG2-CB 4.48Å; V296-E338 HydrophobicContact CG2-CG 3.76Å; V296-L341 HydrophobicContact CG1-CB 3.96Å; V296-L341 HydrophobicContact CG1-CD2 3.21Å; V296-L341 HydrophobicContact CG1-CG 4.16Å; V296-F403 HydrophobicContact CG1-CE1 4.07Å; V296-F403 HydrophobicContact CG1-CZ 3.84Å |
| 297 | I | 97.2 | Very high | 96.3 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 33% | 0.333 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -45.4 | -177.5 | -55.3 | 178.9 | 0 | 0 | 0 | 111.2 | E295 T300 C337 I399 F403 | E295-I297 VanDerWaalsContact C-N 3.27Å; E295-I297 PolarHBondContact O-N 3.16Å; E295-I297 VanDerWaalsContact O-N 3.17Å; I297-T300 PolarHBondContact O-OG1 3.07Å; I297-C337 HydrophobicContact CG1-CB 4.35Å; I297-I399 HydrophobicContact CD1-CG2 4.1Å; I297-I399 HydrophobicContact CG2-CG2 3.92Å; I297-F403 HydrophobicContact CB-CD2 4.37Å; I297-F403 HydrophobicContact CD1-CB 4.4Å; I297-F403 HydrophobicContact CG1-CB 4.2Å; I297-F403 HydrophobicContact CG1-CD1 4.29Å; I297-F403 HydrophobicContact CG1-CD2 4.24Å; I297-F403 HydrophobicContact CG1-CG 3.97Å; I297-F403 HydrophobicContact CG2-CB 4.47Å; I297-F403 HydrophobicContact CG2-CD2 4.17Å; I297-F403 HydrophobicContact CG2-CG 4.49Å |
| 298 | S | 94.8 | Very high | 96.4 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 47% | 0.469 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -14 | -176.3 | 70.4 | 0 | 0 | 0 | 0 | 113.5 | E295 | E295-S298 PolarHBondContact O-N 3.36Å; E295-S298 PolarHBondContact O-OG 2.89Å; E295-S298 PolarHBondContact OE2-OG 3.02Å |
| 299 | R | 96.3 | Very high | 96.6 | Very high | 99 Ų | 99 | 41.9 Ų | 41.9 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -130.8 | 29.7 | -173.5 | -59.3 | -66.6 | -175.6 | -133.2 | 0.8 | 113.3 | C253 E295 S301 I302 C303 | C253-R299 HydrophobicContact CB-CG 4.48Å; E295-R299 WeakPolarHBondContact O-CB 3.25Å; E295-R299 PolarHBondContact O-N 3.36Å; E295-R299 VanDerWaalsContact O-N 3.1Å; R299-S301 VanDerWaalsContact C-N 3.33Å; R299-S301 PolarHBondContact O-N 3.44Å; R299-I302 WeakPolarHBondContact O-CB 3.34Å; R299-I302 PolarHBondContact O-N 2.92Å; R299-C303 PolarHBondContact O-N 2.88Å; R299-C303 VanDerWaalsContact O-N 3.09Å |
| 300 | T | 98 | Very high | 96.8 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -49.5 | -49.6 | -173.5 | -45.2 | 0 | 0 | 0 | 0 | 112.9 | V296 I297 I302 C303 E304 L341 F403 | V296-T300 VanDerWaalsContact O-CA 3.24Å; V296-T300 WeakPolarHBondContact O-CA 3.45Å; V296-T300 PolarHBondContact O-N 3.26Å; V296-T300 PolarHBondContact O-OG1 3.46Å; I297-T300 PolarHBondContact O-OG1 3.07Å; T300-I302 PolarHBondContact O-N 2.98Å; T300-C303 WeakPolarHBondContact O-CA 3.27Å; T300-C303 WeakPolarHBondContact O-CB 3.39Å; T300-C303 PolarHBondContact O-N 2.82Å; T300-E304 HydrophobicContact CG2-CG 4.46Å; T300-E304 WeakPolarHBondContact O-CG 3.46Å; T300-E304 PolarHBondContact O-N 2.99Å; T300-L341 HydrophobicContact CG2-CD1 3.85Å; T300-L341 HydrophobicContact CG2-CD2 4.18Å; T300-F403 HydrophobicContact CG2-CE2 4.1Å; T300-F403 HydrophobicContact CG2-CZ 4.13Å; T300-F403 WeakPolarHBondContact OG1-CE2 3.45Å |
| 301 | S | 97.4 | Very high | 96.9 | Very high | 69 Ų | 69 | 40.3 Ų | 40.3 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.5 | -25.6 | -179 | 63.1 | 0 | 0 | 0 | 0 | 114.6 | R299 Q305 | R299-S301 VanDerWaalsContact C-N 3.33Å; R299-S301 PolarHBondContact O-N 3.44Å; S301-Q305 WeakPolarHBondContact O-CG 3.26Å; S301-Q305 PolarHBondContact O-N 3.49Å; S301-Q305 PolarHBondContact O-NE2 3.07Å |
| 302 | I | 97.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.046 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -79.6 | -41.9 | 174.3 | -58.6 | 177.2 | 0 | 0 | 0 | 109.3 | C253 L256 Q257 R299 T300 E304 Q305 V306 | C253-I302 HydrophobicContact CB-CD1 3.82Å; C253-I302 HydrophobicContact CB-CG2 4.44Å; L256-I302 HydrophobicContact CB-CG2 4.26Å; Q257-I302 HydrophobicContact CB-CD1 4.01Å; Q257-I302 HydrophobicContact CB-CG1 4.09Å; Q257-I302 HydrophobicContact CB-CG2 4.31Å; Q257-I302 HydrophobicContact CG-CD1 4.39Å; Q257-I302 HydrophobicContact CG-CG1 4.24Å; R299-I302 WeakPolarHBondContact O-CB 3.34Å; R299-I302 PolarHBondContact O-N 2.92Å; T300-I302 PolarHBondContact O-N 2.98Å; I302-E304 VanDerWaalsContact C-N 3.32Å; I302-E304 PolarHBondContact O-N 2.95Å; I302-Q305 WeakPolarHBondContact O-CB 3.31Å; I302-Q305 PolarHBondContact O-N 3.3Å; I302-V306 WeakPolarHBondContact O-CG2 3.43Å; I302-V306 PolarHBondContact O-N 3.3Å |
| 303 | C | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 175 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | L291 R299 T300 Q305 V306 L307 L341 | L291-C303 HydrophobicContact CD2-CB 3.81Å; R299-C303 PolarHBondContact O-N 2.88Å; R299-C303 VanDerWaalsContact O-N 3.09Å; T300-C303 WeakPolarHBondContact O-CA 3.27Å; T300-C303 WeakPolarHBondContact O-CB 3.39Å; T300-C303 PolarHBondContact O-N 2.82Å; C303-Q305 VanDerWaalsContact C-N 3.34Å; C303-Q305 PolarHBondContact O-N 3.37Å; C303-V306 PolarHBondContact O-N 3.42Å; C303-L307 WeakPolarHBondContact O-CB 3.42Å; C303-L307 VanDerWaalsContact O-CG 3.32Å; C303-L307 WeakPolarHBondContact O-CG 3.32Å; C303-L307 PolarHBondContact O-N 3.28Å; C303-L341 HydrophobicContact CB-CD2 3.58Å |
| 304 | E | 98.5 | Very high | 96.7 | Very high | 55 Ų | 55 | 43 Ų | 43 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -40.1 | 173.7 | -69.7 | 176.9 | 165.4 | 0 | 0 | 112.2 | T300 I302 L307 T308 L341 K344 V345 | T300-E304 HydrophobicContact CG2-CG 4.46Å; T300-E304 WeakPolarHBondContact O-CG 3.46Å; T300-E304 PolarHBondContact O-N 2.99Å; I302-E304 VanDerWaalsContact C-N 3.32Å; I302-E304 PolarHBondContact O-N 2.95Å; E304-L307 PolarHBondContact O-N 3.21Å; E304-T308 VanDerWaalsContact O-CB 3.31Å; E304-T308 WeakPolarHBondContact O-CB 3.44Å; E304-T308 PolarHBondContact O-N 3.06Å; E304-T308 PolarHBondContact O-OG1 3.46Å; E304-L341 HydrophobicContact CG-CD1 4.08Å; E304-K344 IonicContact OE1-NZ 3.7Å; E304-K344 PolarHBondContact OE1-NZ 3.11Å; E304-V345 HydrophobicContact CB-CG2 4.43Å; E304-V345 HydrophobicContact CG-CG2 3.73Å |
| 305 | Q | 98 | Very high | 96.6 | Very high | 67 Ų | 67 | 46 Ų | 46 | 31% | 0.313 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 174.2 | -74.6 | 169.8 | 56.8 | 0 | 0 | 112.3 | L260 S301 I302 C303 A309 | L260-Q305 HydrophobicContact CD1-CB 4.39Å; S301-Q305 WeakPolarHBondContact O-CG 3.26Å; S301-Q305 PolarHBondContact O-N 3.49Å; S301-Q305 PolarHBondContact O-NE2 3.07Å; I302-Q305 WeakPolarHBondContact O-CB 3.31Å; I302-Q305 PolarHBondContact O-N 3.3Å; C303-Q305 VanDerWaalsContact C-N 3.34Å; C303-Q305 PolarHBondContact O-N 3.37Å; Q305-A309 VanDerWaalsContact O-CB 3.26Å; Q305-A309 WeakPolarHBondContact O-CB 3.39Å; Q305-A309 PolarHBondContact O-N 3.39Å |
| 306 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -47.4 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | L256 L260 L276 I287 L290 L294 I302 C303 A309 Y310 | L256-V306 HydrophobicContact CB-CG2 4.19Å; L256-V306 HydrophobicContact CD1-CG2 3.89Å; L256-V306 HydrophobicContact CD2-CG2 4.22Å; L256-V306 HydrophobicContact CG-CG2 4.33Å; L260-V306 HydrophobicContact CD1-CG2 3.95Å; L276-V306 HydrophobicContact CD2-CG1 4.03Å; I287-V306 HydrophobicContact CD1-CG1 4.05Å; L290-V306 HydrophobicContact CD2-CG1 4.15Å; L294-V306 HydrophobicContact CD1-CG2 4.27Å; I302-V306 WeakPolarHBondContact O-CG2 3.43Å; I302-V306 PolarHBondContact O-N 3.3Å; C303-V306 PolarHBondContact O-N 3.42Å; V306-A309 PolarHBondContact O-N 3.48Å; V306-Y310 WeakPolarHBondContact O-CB 3.31Å; V306-Y310 PolarHBondContact O-N 3Å |
| 307 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -49.8 | 177.3 | -74.5 | 168.2 | 0 | 0 | 0 | 111.3 | I287 L291 C303 E304 A309 Y310 F311 L341 Y342 V345 | I287-L307 HydrophobicContact CD1-CD2 4.37Å; I287-L307 HydrophobicContact CG1-CD2 3.71Å; L291-L307 HydrophobicContact CD1-CD1 4.16Å; L291-L307 HydrophobicContact CD1-CD2 4.14Å; L291-L307 HydrophobicContact CD1-CG 4.38Å; L291-L307 HydrophobicContact CD2-CG 4.37Å; C303-L307 WeakPolarHBondContact O-CB 3.42Å; C303-L307 VanDerWaalsContact O-CG 3.32Å; C303-L307 WeakPolarHBondContact O-CG 3.32Å; C303-L307 PolarHBondContact O-N 3.28Å; E304-L307 PolarHBondContact O-N 3.21Å; L307-A309 VanDerWaalsContact C-N 3.28Å; L307-A309 PolarHBondContact O-N 2.83Å; L307-Y310 WeakPolarHBondContact O-CB 3.47Å; L307-Y310 PolarHBondContact O-N 2.91Å; L307-Y310 VanDerWaalsContact O-N 3.11Å; L307-F311 HydrophobicContact CB-CD2 4.4Å; L307-F311 HydrophobicContact CB-CE2 3.84Å; L307-F311 HydrophobicContact CB-CZ 4.13Å; L307-F311 HydrophobicContact CD2-CE1 4.39Å; L307-F311 HydrophobicContact CD2-CE2 4.42Å; L307-F311 HydrophobicContact CD2-CZ 3.86Å; L307-F311 WeakPolarHBondContact O-CB 3.45Å; L307-F311 WeakPolarHBondContact O-CD2 3.41Å; L307-F311 WeakPolarHBondContact O-CG 3.25Å; L307-F311 PolarHBondContact O-N 3.25Å; L307-L341 HydrophobicContact CD1-CD2 4.3Å; L307-L341 HydrophobicContact CD1-CG 4.16Å; L307-Y342 HydrophobicContact CD2-CD2 3.5Å; L307-Y342 VanDerWaalsContact CD2-CD2 3.5Å; L307-Y342 HydrophobicContact CD2-CE2 4.17Å; L307-Y342 HydrophobicContact CD2-CG 4.37Å; L307-V345 HydrophobicContact CB-CB 4.39Å; L307-V345 HydrophobicContact CB-CG1 3.85Å; L307-V345 HydrophobicContact CD1-CB 3.94Å; L307-V345 HydrophobicContact CD1-CG1 4.25Å; L307-V345 HydrophobicContact CD1-CG2 3.92Å |
| 308 | T | 98 | Very high | 96.6 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | E304 F311 K312 Y349 | E304-T308 VanDerWaalsContact O-CB 3.31Å; E304-T308 WeakPolarHBondContact O-CB 3.44Å; E304-T308 PolarHBondContact O-N 3.06Å; E304-T308 PolarHBondContact O-OG1 3.46Å; T308-F311 PolarHBondContact O-N 2.96Å; T308-K312 VanDerWaalsContact O-CG 3.29Å; T308-K312 WeakPolarHBondContact O-CG 3.3Å; T308-K312 PolarHBondContact O-N 3.28Å; T308-Y349 HydrophobicContact CG2-CD2 4.35Å |
| 309 | A | 97.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -37.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L260 E272 L276 Q305 V306 L307 N313 | L260-A309 HydrophobicContact CD1-CB 4.22Å; L260-A309 HydrophobicContact CD2-CB 3.78Å; E272-A309 HydrophobicContact CG-CB 4.02Å; L276-A309 HydrophobicContact CD1-CB 3.5Å; L276-A309 VanDerWaalsContact CD1-CB 3.5Å; Q305-A309 VanDerWaalsContact O-CB 3.26Å; Q305-A309 WeakPolarHBondContact O-CB 3.39Å; Q305-A309 PolarHBondContact O-N 3.39Å; V306-A309 PolarHBondContact O-N 3.48Å; L307-A309 VanDerWaalsContact C-N 3.28Å; L307-A309 PolarHBondContact O-N 2.83Å; A309-N313 PolarHBondContact O-ND2 3.32Å |
| 310 | Y | 96.6 | Very high | 96.6 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 15% | 0.153 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -46.4 | 173.7 | 171.4 | -106.1 | 0 | 0 | 0 | 111.6 | L280 I287 V306 L307 K312 N313 H314 L319 | L280-Y310 HydrophobicContact CD1-CD2 3.67Å; L280-Y310 HydrophobicContact CD1-CE2 3.83Å; I287-Y310 HydrophobicContact CB-CD1 4.33Å; I287-Y310 HydrophobicContact CB-CE1 4.21Å; I287-Y310 HydrophobicContact CD1-CG 4.24Å; I287-Y310 HydrophobicContact CG1-CD1 4.07Å; I287-Y310 HydrophobicContact CG1-CE1 4.44Å; I287-Y310 HydrophobicContact CG1-CG 4.29Å; I287-Y310 HydrophobicContact CG2-CD1 4.45Å; I287-Y310 HydrophobicContact CG2-CE1 4.02Å; V306-Y310 WeakPolarHBondContact O-CB 3.31Å; V306-Y310 PolarHBondContact O-N 3Å; L307-Y310 WeakPolarHBondContact O-CB 3.47Å; L307-Y310 PolarHBondContact O-N 2.91Å; L307-Y310 VanDerWaalsContact O-N 3.11Å; Y310-K312 VanDerWaalsContact C-N 3.33Å; Y310-K312 PolarHBondContact O-N 3.1Å; Y310-N313 PolarHBondContact O-N 3.15Å; Y310-N313 VanDerWaalsContact O-N 3.15Å; Y310-H314 AromaticContact CD2-CE1 3.83Å; Y310-H314 AromaticContact CE2-CE1 3.35Å; Y310-H314 WeakPolarHBondContact CE2-CE1 3.35Å; Y310-H314 AromaticContact CZ-CE1 3.68Å; Y310-H314 PolarHBondContact O-ND1 3.11Å; Y310-L319 HydrophobicContact CE1-CD2 4.18Å |
| 311 | F | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -34.6 | 179.6 | -60.1 | -29.3 | 0 | 0 | 0 | 113.1 | L307 T308 N313 H314 L319 Y342 V345 L346 Y349 | L307-F311 HydrophobicContact CB-CD2 4.4Å; L307-F311 HydrophobicContact CB-CE2 3.84Å; L307-F311 HydrophobicContact CB-CZ 4.13Å; L307-F311 HydrophobicContact CD2-CE1 4.39Å; L307-F311 HydrophobicContact CD2-CE2 4.42Å; L307-F311 HydrophobicContact CD2-CZ 3.86Å; L307-F311 WeakPolarHBondContact O-CB 3.45Å; L307-F311 WeakPolarHBondContact O-CD2 3.41Å; L307-F311 WeakPolarHBondContact O-CG 3.25Å; L307-F311 PolarHBondContact O-N 3.25Å; T308-F311 PolarHBondContact O-N 2.96Å; F311-N313 PolarHBondContact O-N 3.26Å; F311-N313 VanDerWaalsContact O-N 3.1Å; F311-H314 PolarHBondContact O-N 2.92Å; F311-L319 HydrophobicContact CB-CD1 3.69Å; F311-L319 HydrophobicContact CD1-CD1 3.83Å; F311-L319 HydrophobicContact CD1-CD2 3.55Å; F311-L319 HydrophobicContact CD1-CG 4.32Å; F311-L319 HydrophobicContact CE1-CD2 4.13Å; F311-L319 HydrophobicContact CG-CD1 3.97Å; F311-L319 HydrophobicContact CG-CD2 4.47Å; F311-Y342 HydrophobicContact CE1-CD2 4.3Å; F311-Y342 AromaticContact CE1-CE2 3.55Å; F311-Y342 HydrophobicContact CE1-CE2 3.55Å; F311-Y342 AromaticContact CE1-CZ 3.93Å; F311-Y342 HydrophobicContact CZ-CD2 4.06Å; F311-Y342 AromaticContact CZ-CE2 3.73Å; F311-Y342 HydrophobicContact CZ-CE2 3.73Å; F311-V345 HydrophobicContact CE2-CB 4.29Å; F311-V345 HydrophobicContact CE2-CG1 3.93Å; F311-L346 HydrophobicContact CD1-CD1 4.38Å; F311-L346 HydrophobicContact CE1-CD1 4.1Å; F311-L346 HydrophobicContact CE2-CB 4.05Å; F311-L346 HydrophobicContact CE2-CD1 4.37Å; F311-L346 HydrophobicContact CZ-CB 3.8Å; F311-L346 HydrophobicContact CZ-CD1 4.11Å; F311-L346 HydrophobicContact CZ-CG 4.49Å; F311-Y349 HydrophobicContact CB-CD1 3.65Å; F311-Y349 HydrophobicContact CB-CD2 4.07Å; F311-Y349 HydrophobicContact CB-CE1 3.56Å; F311-Y349 HydrophobicContact CB-CE2 3.99Å; F311-Y349 HydrophobicContact CB-CG 3.91Å; F311-Y349 HydrophobicContact CD2-CD1 4.16Å; F311-Y349 HydrophobicContact CD2-CD2 4.37Å; F311-Y349 AromaticContact CD2-CG 3.88Å; F311-Y349 HydrophobicContact CD2-CG 3.88Å; F311-Y349 HydrophobicContact CG-CD1 4.19Å; F311-Y349 HydrophobicContact CG-CG 4.3Å; F311-Y349 PolarHBondContact O-OH 3.19Å |
| 312 | K | 95.4 | Very high | 96.1 | Very high | 111 Ų | 111 | 47 Ų | 47 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.3 | 174.2 | -79.1 | 176.4 | -168.2 | 176 | 0 | 114.4 | E272 T308 Y310 H314 Y349 | E272-K312 IonicContact OE1-NZ 3.62Å; E272-K312 PolarHBondContact OE1-NZ 2.88Å; T308-K312 VanDerWaalsContact O-CG 3.29Å; T308-K312 WeakPolarHBondContact O-CG 3.3Å; T308-K312 PolarHBondContact O-N 3.28Å; Y310-K312 VanDerWaalsContact C-N 3.33Å; Y310-K312 PolarHBondContact O-N 3.1Å; K312-H314 VanDerWaalsContact C-N 3.33Å; K312-Y349 WeakPolarHBondContact CA-OH 3.46Å; K312-Y349 HydrophobicContact CG-CE2 4.3Å; K312-Y349 PolarHBondContact N-OH 3.43Å |
| 313 | N | 92.6 | Very high | 95.9 | Very high | 77 Ų | 77 | 47.3 Ų | 47.3 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 0.3 | -179.1 | -64.2 | -33.2 | 0 | 0 | 0 | 113.3 | E272 A309 Y310 F311 | E272-N313 PolarHBondContact O-ND2 2.88Å; A309-N313 PolarHBondContact O-ND2 3.32Å; Y310-N313 PolarHBondContact O-N 3.15Å; Y310-N313 VanDerWaalsContact O-N 3.15Å; F311-N313 PolarHBondContact O-N 3.26Å; F311-N313 VanDerWaalsContact O-N 3.1Å |
| 314 | H | 93.9 | Very high | 95.6 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 29% | 0.292 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -128.8 | 156.4 | -177.6 | -58.8 | 81.9 | 0 | 0 | 0 | 109.7 | Y310 F311 K312 L319 | Y310-H314 AromaticContact CD2-CE1 3.83Å; Y310-H314 AromaticContact CE2-CE1 3.35Å; Y310-H314 WeakPolarHBondContact CE2-CE1 3.35Å; Y310-H314 AromaticContact CZ-CE1 3.68Å; Y310-H314 PolarHBondContact O-ND1 3.11Å; F311-H314 PolarHBondContact O-N 2.92Å; K312-H314 VanDerWaalsContact C-N 3.33Å; H314-L319 HydrophobicContact CB-CD1 4.25Å; H314-L319 HydrophobicContact CB-CD2 3.69Å; H314-L319 HydrophobicContact CB-CG 3.69Å |
| 315 | T | 95 | Very high | 95.4 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | trans | -76.7 | 159.3 | 169.1 | 70.7 | 0 | 0 | 0 | 0 | 109.6 | E317 D318 L319 | T315-E317 VanDerWaalsContact CB-OE2 3.3Å; T315-E317 WeakPolarHBondContact CB-OE2 3.46Å; T315-E317 PolarHBondContact O-N 2.76Å; T315-E317 PolarHBondContact OG1-OE2 3.38Å; T315-D318 PolarHBondContact O-N 3.07Å; T315-D318 WeakPolarHBondContact OG1-CB 3.3Å; T315-D318 PolarHBondContact OG1-N 3.34Å; T315-D318 VanDerWaalsContact OG1-N 3.07Å; T315-D318 PolarHBondContact OG1-OD1 3.05Å; T315-D318 PolarHBondContact OG1-OD2 3.24Å; T315-L319 VanDerWaalsContact O-CG 3.28Å; T315-L319 WeakPolarHBondContact O-CG 3.24Å; T315-L319 PolarHBondContact O-N 3.33Å | ||
| 316 | V | 95.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 177.2 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | L319 I320 Y349 A350 I353 I366 | V316-L319 PolarHBondContact O-N 3.5Å; V316-I320 HydrophobicContact CG1-CD1 3.81Å; V316-I320 HydrophobicContact CG1-CG1 4.41Å; V316-I320 VanDerWaalsContact O-CG1 3.23Å; V316-I320 WeakPolarHBondContact O-CG1 3.41Å; V316-I320 PolarHBondContact O-N 3.03Å; V316-Y349 HydrophobicContact CG2-CE1 4.42Å; V316-A350 HydrophobicContact CG1-CB 3.88Å; V316-I353 HydrophobicContact CG2-CB 4.15Å; V316-I353 HydrophobicContact CG2-CG2 3.8Å; V316-I366 HydrophobicContact CG1-CG2 3.73Å |
| 317 | E | 94.1 | Very high | 95.2 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 51% | 0.514 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.4 | -60 | 80.6 | -177.2 | 0 | 0 | 112.2 | T315 I320 T321 | T315-E317 VanDerWaalsContact CB-OE2 3.3Å; T315-E317 WeakPolarHBondContact CB-OE2 3.46Å; T315-E317 PolarHBondContact O-N 2.76Å; T315-E317 PolarHBondContact OG1-OE2 3.38Å; E317-I320 PolarHBondContact O-N 3.06Å; E317-T321 WeakPolarHBondContact O-CB 3.34Å; E317-T321 PolarHBondContact O-N 3.42Å; E317-T321 PolarHBondContact O-OG1 3.15Å |
| 318 | D | 96.1 | Very high | 94.9 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 43% | 0.428 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 176.8 | -67.7 | -15.8 | 0 | 0 | 0 | 110.1 | T315 I320 T321 D322 | T315-D318 PolarHBondContact O-N 3.07Å; T315-D318 WeakPolarHBondContact OG1-CB 3.3Å; T315-D318 PolarHBondContact OG1-N 3.34Å; T315-D318 VanDerWaalsContact OG1-N 3.07Å; T315-D318 PolarHBondContact OG1-OD1 3.05Å; T315-D318 PolarHBondContact OG1-OD2 3.24Å; D318-I320 VanDerWaalsContact C-N 3.31Å; D318-I320 PolarHBondContact O-N 3.05Å; D318-T321 PolarHBondContact O-N 3.4Å; D318-D322 VanDerWaalsContact O-CB 3.32Å; D318-D322 WeakPolarHBondContact O-CB 3.32Å; D318-D322 PolarHBondContact O-N 3.33Å |
| 319 | L | 96.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -37 | 177.8 | -69.8 | 170.9 | 0 | 0 | 0 | 113.2 | Y310 F311 H314 T315 V316 C323 L346 Y349 | Y310-L319 HydrophobicContact CE1-CD2 4.18Å; F311-L319 HydrophobicContact CB-CD1 3.69Å; F311-L319 HydrophobicContact CD1-CD1 3.83Å; F311-L319 HydrophobicContact CD1-CD2 3.55Å; F311-L319 HydrophobicContact CD1-CG 4.32Å; F311-L319 HydrophobicContact CE1-CD2 4.13Å; F311-L319 HydrophobicContact CG-CD1 3.97Å; F311-L319 HydrophobicContact CG-CD2 4.47Å; H314-L319 HydrophobicContact CB-CD1 4.25Å; H314-L319 HydrophobicContact CB-CD2 3.69Å; H314-L319 HydrophobicContact CB-CG 3.69Å; T315-L319 VanDerWaalsContact O-CG 3.28Å; T315-L319 WeakPolarHBondContact O-CG 3.24Å; T315-L319 PolarHBondContact O-N 3.33Å; V316-L319 PolarHBondContact O-N 3.5Å; L319-C323 WeakPolarHBondContact O-CB 3.39Å; L319-C323 PolarHBondContact O-N 3.18Å; L319-L346 HydrophobicContact CB-CD1 3.84Å; L319-L346 HydrophobicContact CD1-CD1 4.06Å; L319-L346 HydrophobicContact CG-CD1 4.43Å; L319-Y349 HydrophobicContact CD1-CD1 4.21Å; L319-Y349 HydrophobicContact CD1-CE1 3.98Å |
| 320 | I | 95.5 | Very high | 94.6 | Very high | 23 Ų | 23 | 63.2 Ų | 63.2 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.6 | -46.7 | 175.2 | -68.6 | 167 | 0 | 0 | 0 | 110 | V316 E317 D318 D322 C323 I366 Q369 L370 | V316-I320 HydrophobicContact CG1-CD1 3.81Å; V316-I320 HydrophobicContact CG1-CG1 4.41Å; V316-I320 VanDerWaalsContact O-CG1 3.23Å; V316-I320 WeakPolarHBondContact O-CG1 3.41Å; V316-I320 PolarHBondContact O-N 3.03Å; E317-I320 PolarHBondContact O-N 3.06Å; D318-I320 VanDerWaalsContact C-N 3.31Å; D318-I320 PolarHBondContact O-N 3.05Å; I320-D322 VanDerWaalsContact C-N 3.32Å; I320-D322 PolarHBondContact O-N 3.22Å; I320-C323 VanDerWaalsContact O-CB 3.3Å; I320-C323 WeakPolarHBondContact O-CB 3.32Å; I320-C323 PolarHBondContact O-N 2.85Å; I320-I366 HydrophobicContact CD1-CG2 3.6Å; I320-Q369 HydrophobicContact CG2-CB 3.96Å; I320-L370 HydrophobicContact CB-CD2 4.47Å; I320-L370 HydrophobicContact CD1-CD1 4.35Å; I320-L370 HydrophobicContact CD1-CG 4.42Å; I320-L370 HydrophobicContact CG1-CD1 3.9Å; I320-L370 HydrophobicContact CG1-CD2 3.9Å; I320-L370 HydrophobicContact CG1-CG 3.87Å; I320-L370 HydrophobicContact CG2-CD2 4.45Å |
| 321 | T | 93.3 | Very high | 94.6 | Very high | 111 Ų | 111 | 62.4 Ų | 62.4 | 68% | 0.681 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.7 | -39.2 | -177.7 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | E317 D318 C323 | E317-T321 WeakPolarHBondContact O-CB 3.34Å; E317-T321 PolarHBondContact O-N 3.42Å; E317-T321 PolarHBondContact O-OG1 3.15Å; D318-T321 PolarHBondContact O-N 3.4Å; T321-C323 VanDerWaalsContact C-N 3.31Å |
| 322 | D | 91.3 | Very high | 94.5 | Very high | 110 Ų | 110 | 63.2 Ų | 63.2 | 59% | 0.588 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 1.8 | -178.3 | -66.2 | -18.7 | 0 | 0 | 0 | 112.9 | D318 I320 D324 | D318-D322 VanDerWaalsContact O-CB 3.32Å; D318-D322 WeakPolarHBondContact O-CB 3.32Å; D318-D322 PolarHBondContact O-N 3.33Å; I320-D322 VanDerWaalsContact C-N 3.32Å; I320-D322 PolarHBondContact O-N 3.22Å; D322-D324 PolarHBondContact O-N 3.44Å |
| 323 | C | 93.5 | Very high | 94.5 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 11% | 0.108 | 33% | 0.326 | C | S | . | . | trans | -72.5 | 83.2 | 179.7 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | L319 I320 T321 I325 L346 | L319-C323 WeakPolarHBondContact O-CB 3.39Å; L319-C323 PolarHBondContact O-N 3.18Å; I320-C323 VanDerWaalsContact O-CB 3.3Å; I320-C323 WeakPolarHBondContact O-CB 3.32Å; I320-C323 PolarHBondContact O-N 2.85Å; T321-C323 VanDerWaalsContact C-N 3.31Å; C323-I325 VanDerWaalsContact C-N 3.3Å; C323-I325 PolarHBondContact O-N 3.05Å; C323-L346 HydrophobicContact CB-CD2 4.35Å | ||
| 324 | D | 91.7 | Very high | 94.6 | Very high | 122 Ų | 122 | 64 Ų | 64 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.9 | -177.7 | -168 | 41.2 | 0 | 0 | 0 | 114.4 | D322 L326 K333 | D322-D324 PolarHBondContact O-N 3.44Å; D324-L326 VanDerWaalsContact C-N 3.35Å; D324-K333 WeakPolarHBondContact O-CD 3.49Å; D324-K333 WeakPolarHBondContact O-CE 3.35Å; D324-K333 PolarHBondContact O-NZ 2.9Å; D324-K333 IonicContact OD1-NZ 3.44Å; D324-K333 PolarHBondContact OD1-NZ 2.99Å; D324-K333 IonicContact OD2-NZ 3.35Å |
| 325 | I | 95 | Very high | 94.7 | Very high | 21 Ų | 21 | 63.3 Ų | 63.3 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -20.8 | 178.9 | 63 | 154.8 | 0 | 0 | 0 | 112.9 | V288 C323 P332 K333 N339 Y342 W343 | V288-I325 HydrophobicContact CG2-CG2 4.28Å; C323-I325 VanDerWaalsContact C-N 3.3Å; C323-I325 PolarHBondContact O-N 3.05Å; I325-P332 CarbonylContact O-C 3.54Å; I325-P332 WeakPolarHBondContact O-CA 3.47Å; I325-K333 PolarHBondContact O-N 3.39Å; I325-N339 WeakPolarHBondContact CD1-O 3.45Å; I325-Y342 HydrophobicContact CD1-CD1 3.47Å; I325-Y342 VanDerWaalsContact CD1-CD1 3.47Å; I325-Y342 HydrophobicContact CD1-CE1 4.1Å; I325-Y342 HydrophobicContact CD1-CG 4.43Å; I325-Y342 HydrophobicContact CG1-CD1 4.07Å; I325-Y342 HydrophobicContact CG1-CE1 4.23Å; I325-W343 HydrophobicContact CD1-CB 3.8Å; I325-W343 HydrophobicContact CD1-CG 4.47Å |
| 326 | L | 96.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -98.4 | 148.6 | -176.8 | -56.3 | -176.9 | 0 | 0 | 0 | 111.5 | D324 N330 L331 P332 K333 W343 L370 | D324-L326 VanDerWaalsContact C-N 3.35Å; L326-N330 HydrophobicContact CD1-CB 4.43Å; L326-L331 CarbonylContact C-O 3.5Å; L326-L331 WeakPolarHBondContact CA-O 3.42Å; L326-P332 HydrophobicContact CD2-CG 4.16Å; L326-K333 VanDerWaalsContact O-CE 3.23Å; L326-K333 WeakPolarHBondContact O-CE 3.28Å; L326-W343 HydrophobicContact CD2-CD2 4.02Å; L326-W343 HydrophobicContact CD2-CG 4.12Å; L326-L370 HydrophobicContact CD1-CD2 4.31Å |
| 327 | D | 95.3 | Very high | 94.9 | Very high | 52 Ų | 52 | 62.2 Ų | 62.2 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | trans | -92.8 | -175.1 | 173.2 | 80 | -5.5 | 0 | 0 | 0 | 112.3 | K329 N330 L331 K333 | D327-K329 PolarHBondContact O-N 2.91Å; D327-K329 WeakPolarHBondContact OD1-CA 3.42Å; D327-K329 WeakPolarHBondContact OD1-CB 3.32Å; D327-K329 PolarHBondContact OD1-N 3.37Å; D327-N330 PolarHBondContact O-N 3.48Å; D327-N330 PolarHBondContact OD1-N 2.75Å; D327-L331 PolarHBondContact N-O 2.89Å; D327-L331 PolarHBondContact OD1-N 3.09Å; D327-K333 HydrophobicContact CB-CG 4.27Å | ||
| 328 | H | 92.1 | Very high | 95 | Very high | 161 Ų | 161 | 58.4 Ų | 58.4 | 75% | 0.745 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -11.7 | 178.5 | 69.8 | -64.1 | 0 | 0 | 0 | 115.8 | ||
| 329 | K | 94.5 | Very high | 95.1 | Very high | 92 Ų | 92 | 55.5 Ų | 55.5 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 9.8 | 174.2 | -63.3 | -173.9 | 174.6 | -169.9 | 0 | 112.2 | D327 L331 P372 D376 | D327-K329 PolarHBondContact O-N 2.91Å; D327-K329 WeakPolarHBondContact OD1-CA 3.42Å; D327-K329 WeakPolarHBondContact OD1-CB 3.32Å; D327-K329 PolarHBondContact OD1-N 3.37Å; K329-L331 HydrophobicContact CB-CD1 4.41Å; K329-L331 HydrophobicContact CB-CG 4.41Å; K329-L331 PolarHBondContact O-N 3.25Å; K329-P372 WeakPolarHBondContact O-CA 3.25Å; K329-P372 WeakPolarHBondContact O-CB 3.16Å; K329-D376 IonicContact NZ-OD1 3.61Å |
| 330 | N | 96.1 | Very high | 95.2 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 59.2 | 29.4 | -172 | -52.1 | -26.1 | 0 | 0 | 0 | 112.7 | L326 D327 S368 Q369 L371 | L326-N330 HydrophobicContact CD1-CB 4.43Å; D327-N330 PolarHBondContact O-N 3.48Å; D327-N330 PolarHBondContact OD1-N 2.75Å; N330-S368 PolarHBondContact ND2-O 3.14Å; N330-Q369 PolarHBondContact ND2-O 2.99Å; N330-Q369 PolarHBondContact OD1-O 3.46Å; N330-L371 WeakPolarHBondContact CB-O 3.29Å; N330-L371 PolarHBondContact ND2-O 3.34Å |
| 331 | L | 96 | Very high | 95.4 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | trans | -101.3 | 146.3 | 173.7 | -74.3 | 174.2 | 0 | 0 | 0 | 110.9 | L326 D327 K329 K333 P372 D376 M380 | L326-L331 CarbonylContact C-O 3.5Å; L326-L331 WeakPolarHBondContact CA-O 3.42Å; D327-L331 PolarHBondContact N-O 2.89Å; D327-L331 PolarHBondContact OD1-N 3.09Å; K329-L331 HydrophobicContact CB-CD1 4.41Å; K329-L331 HydrophobicContact CB-CG 4.41Å; K329-L331 PolarHBondContact O-N 3.25Å; L331-K333 PolarHBondContact O-N 2.78Å; L331-P372 HydrophobicContact CD2-CB 3.8Å; L331-P372 HydrophobicContact CD2-CG 3.85Å; L331-P372 HydrophobicContact CG-CB 4.04Å; L331-D376 HydrophobicContact CD1-CB 4.19Å; L331-M380 HydrophobicContact CD1-CB 4.47Å; L331-M380 HydrophobicContact CD2-CB 4.06Å; L331-M380 HydrophobicContact CD2-CE 3.93Å; L331-M380 HydrophobicContact CD2-CG 4.2Å | ||
| 332 | P | 95.1 | Very high | 95.6 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -59.5 | 130.5 | 175.7 | -24.7 | 34.8 | 0 | 0 | 0 | 112.2 | I325 L326 V334 L335 W343 | I325-P332 CarbonylContact O-C 3.54Å; I325-P332 WeakPolarHBondContact O-CA 3.47Å; L326-P332 HydrophobicContact CD2-CG 4.16Å; P332-V334 VanDerWaalsContact C-N 3.25Å; P332-V334 PolarHBondContact O-N 3.32Å; P332-L335 HydrophobicContact CB-CD2 4.01Å; P332-L335 HydrophobicContact CG-CD2 3.94Å; P332-W343 VanDerWaalsContact CD-CZ3 3.41Å; P332-W343 HydrophobicContact CG-CD2 4.14Å; P332-W343 HydrophobicContact CG-CE3 3.31Å; P332-W343 HydrophobicContact CG-CH2 4.17Å; P332-W343 HydrophobicContact CG-CZ3 3.33Å |
| 333 | K | 95.5 | Very high | 95.9 | Very high | 113 Ų | 113 | 44.3 Ų | 44.3 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -62.3 | -35.2 | 174.1 | -63.7 | 172.7 | -174.5 | 169.6 | 0 | 112 | D324 I325 L326 D327 L331 | D324-K333 WeakPolarHBondContact O-CD 3.49Å; D324-K333 WeakPolarHBondContact O-CE 3.35Å; D324-K333 PolarHBondContact O-NZ 2.9Å; D324-K333 IonicContact OD1-NZ 3.44Å; D324-K333 PolarHBondContact OD1-NZ 2.99Å; D324-K333 IonicContact OD2-NZ 3.35Å; I325-K333 PolarHBondContact O-N 3.39Å; L326-K333 VanDerWaalsContact O-CE 3.23Å; L326-K333 WeakPolarHBondContact O-CE 3.28Å; D327-K333 HydrophobicContact CB-CG 4.27Å; L331-K333 PolarHBondContact O-N 2.78Å |
| 334 | V | 94.8 | Very high | 96.2 | Very high | 90 Ų | 90 | 44 Ų | 44 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -141.9 | 128 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | P332 T336 N339 | P332-V334 VanDerWaalsContact C-N 3.25Å; P332-V334 PolarHBondContact O-N 3.32Å; V334-T336 HydrophobicContact CG1-CG2 3.87Å; V334-T336 PolarHBondContact O-N 3.49Å; V334-N339 PolarHBondContact O-ND2 3.01Å |
| 335 | L | 95.6 | Very high | 96.5 | Very high | 49 Ų | 49 | 38.4 Ų | 38.4 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | trans | -83.5 | 105.1 | 174.5 | -72.8 | 167.3 | 0 | 0 | 0 | 110.1 | P332 M380 F384 I404 L408 | P332-L335 HydrophobicContact CB-CD2 4.01Å; P332-L335 HydrophobicContact CG-CD2 3.94Å; L335-M380 HydrophobicContact CD1-SD 3.77Å; L335-M380 HydrophobicContact CD2-SD 4.3Å; L335-F384 HydrophobicContact CB-CD2 4.42Å; L335-F384 HydrophobicContact CB-CE2 4.22Å; L335-F384 HydrophobicContact CD1-CB 4.19Å; L335-F384 HydrophobicContact CD1-CD2 3.43Å; L335-F384 VanDerWaalsContact CD1-CD2 3.43Å; L335-F384 HydrophobicContact CD1-CE2 4.05Å; L335-F384 HydrophobicContact CD1-CG 3.97Å; L335-I404 HydrophobicContact CD2-CG2 4.48Å; L335-L408 HydrophobicContact CD2-CD2 4.39Å | ||
| 336 | T | 96.5 | Very high | 96.7 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 27% | 0.27 | 19% | 0.188 | S | C | . | . | trans | -126.6 | 162.8 | 168.3 | 74.4 | 0 | 0 | 0 | 0 | 109.4 | V334 E338 N339 V340 | V334-T336 HydrophobicContact CG1-CG2 3.87Å; V334-T336 PolarHBondContact O-N 3.49Å; T336-E338 VanDerWaalsContact C-N 3.26Å; T336-E338 PolarHBondContact O-N 3.4Å; T336-E338 PolarHBondContact OG1-OE2 3.02Å; T336-N339 PolarHBondContact O-N 2.89Å; T336-N339 WeakPolarHBondContact OG1-CB 3.42Å; T336-N339 PolarHBondContact OG1-N 3.16Å; T336-N339 VanDerWaalsContact OG1-N 3.17Å; T336-V340 WeakPolarHBondContact O-CG1 3.47Å; T336-V340 PolarHBondContact O-N 3.03Å | ||
| 337 | C | 98.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.5 | -40.1 | 178.1 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | I297 V340 L341 F403 | I297-C337 HydrophobicContact CG1-CB 4.35Å; C337-V340 WeakPolarHBondContact O-CG1 3.12Å; C337-L341 WeakPolarHBondContact O-CB 3.49Å; C337-L341 PolarHBondContact O-N 3.13Å; C337-L341 VanDerWaalsContact O-N 3.09Å; C337-F403 HydrophobicContact CB-CD1 3.69Å; C337-F403 HydrophobicContact CB-CE1 3.89Å |
| 338 | E | 97.4 | Very high | 96.9 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.3 | -46.2 | 178.9 | -60.8 | 65.3 | -148.1 | 0 | 0 | 111.4 | V288 L291 N292 V296 T336 Y342 | V288-E338 HydrophobicContact CG1-CB 3.77Å; L291-E338 HydrophobicContact CB-CB 4.15Å; L291-E338 HydrophobicContact CB-CG 3.88Å; L291-E338 HydrophobicContact CD1-CB 4.36Å; N292-E338 HydrophobicContact CB-CG 4.5Å; N292-E338 VanDerWaalsContact OD1-CG 3.31Å; N292-E338 WeakPolarHBondContact OD1-CG 3.34Å; N292-E338 PolarHBondContact OD1-OE1 3.41Å; V296-E338 HydrophobicContact CG2-CB 4.48Å; V296-E338 HydrophobicContact CG2-CG 3.76Å; T336-E338 VanDerWaalsContact C-N 3.26Å; T336-E338 PolarHBondContact O-N 3.4Å; T336-E338 PolarHBondContact OG1-OE2 3.02Å; E338-Y342 VanDerWaalsContact O-CB 3.28Å; E338-Y342 WeakPolarHBondContact O-CB 3.34Å; E338-Y342 PolarHBondContact O-N 2.82Å |
| 339 | N | 97.7 | Very high | 97.2 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.6 | -45.2 | -178.3 | -75.3 | -8.5 | 0 | 0 | 0 | 111.3 | V288 I325 V334 T336 Y342 W343 | V288-N339 WeakPolarHBondContact CG1-OD1 3.38Å; I325-N339 WeakPolarHBondContact CD1-O 3.45Å; V334-N339 PolarHBondContact O-ND2 3.01Å; T336-N339 PolarHBondContact O-N 2.89Å; T336-N339 WeakPolarHBondContact OG1-CB 3.42Å; T336-N339 PolarHBondContact OG1-N 3.16Å; T336-N339 VanDerWaalsContact OG1-N 3.17Å; N339-Y342 PolarHBondContact O-N 2.91Å; N339-W343 VanDerWaalsContact O-CB 3.26Å; N339-W343 WeakPolarHBondContact O-CB 3.27Å; N339-W343 PolarHBondContact O-N 3.48Å |
| 340 | V | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.7 | -35.7 | -178.8 | 75.4 | 0 | 0 | 0 | 0 | 111.6 | T336 C337 W343 K344 F403 I404 Q407 L408 L411 | T336-V340 WeakPolarHBondContact O-CG1 3.47Å; T336-V340 PolarHBondContact O-N 3.03Å; C337-V340 WeakPolarHBondContact O-CG1 3.12Å; V340-W343 HydrophobicContact CG2-CE3 4.44Å; V340-W343 PolarHBondContact O-N 2.79Å; V340-K344 WeakPolarHBondContact O-CB 3.08Å; V340-K344 PolarHBondContact O-N 2.98Å; V340-F403 HydrophobicContact CG1-CE1 4.45Å; V340-I404 HydrophobicContact CG1-CB 4.47Å; V340-I404 HydrophobicContact CG1-CG1 4.07Å; V340-I404 HydrophobicContact CG1-CG2 4.47Å; V340-Q407 HydrophobicContact CB-CB 4.26Å; V340-Q407 HydrophobicContact CG1-CB 3.66Å; V340-Q407 HydrophobicContact CG1-CG 3.81Å; V340-Q407 HydrophobicContact CG2-CB 3.65Å; V340-L408 HydrophobicContact CG2-CD2 3.58Å; V340-L408 HydrophobicContact CG2-CG 4.01Å; V340-L411 HydrophobicContact CG2-CD1 3.9Å |
| 341 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.6 | -47.8 | 172.9 | -177.2 | 68.3 | 0 | 0 | 0 | 110.9 | V296 T300 C303 E304 L307 C337 W343 K344 V345 F403 | V296-L341 HydrophobicContact CG1-CB 3.96Å; V296-L341 HydrophobicContact CG1-CD2 3.21Å; V296-L341 HydrophobicContact CG1-CG 4.16Å; T300-L341 HydrophobicContact CG2-CD1 3.85Å; T300-L341 HydrophobicContact CG2-CD2 4.18Å; C303-L341 HydrophobicContact CB-CD2 3.58Å; E304-L341 HydrophobicContact CG-CD1 4.08Å; L307-L341 HydrophobicContact CD1-CD2 4.3Å; L307-L341 HydrophobicContact CD1-CG 4.16Å; C337-L341 WeakPolarHBondContact O-CB 3.49Å; C337-L341 PolarHBondContact O-N 3.13Å; C337-L341 VanDerWaalsContact O-N 3.09Å; L341-W343 PolarHBondContact O-N 3.06Å; L341-K344 PolarHBondContact O-N 2.89Å; L341-V345 HydrophobicContact CD1-CG2 3.8Å; L341-V345 HydrophobicContact CG-CG2 4.08Å; L341-V345 WeakPolarHBondContact O-CG2 3.49Å; L341-V345 PolarHBondContact O-N 3.22Å; L341-F403 HydrophobicContact CB-CE1 4.46Å; L341-F403 HydrophobicContact CB-CZ 4.48Å |
| 342 | Y | 98.2 | Very high | 97.3 | Very high | 12 Ų | 12 | 30 Ų | 30 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -52.8 | -47.6 | 175.4 | 174 | -83.6 | 0 | 0 | 0 | 110.5 | I287 L307 F311 I325 E338 N339 L346 | I287-Y342 HydrophobicContact CG2-CD2 3.79Å; I287-Y342 HydrophobicContact CG2-CE2 3.48Å; I287-Y342 VanDerWaalsContact CG2-CE2 3.48Å; L307-Y342 HydrophobicContact CD2-CD2 3.5Å; L307-Y342 VanDerWaalsContact CD2-CD2 3.5Å; L307-Y342 HydrophobicContact CD2-CE2 4.17Å; L307-Y342 HydrophobicContact CD2-CG 4.37Å; F311-Y342 HydrophobicContact CE1-CD2 4.3Å; F311-Y342 AromaticContact CE1-CE2 3.55Å; F311-Y342 HydrophobicContact CE1-CE2 3.55Å; F311-Y342 AromaticContact CE1-CZ 3.93Å; F311-Y342 HydrophobicContact CZ-CD2 4.06Å; F311-Y342 AromaticContact CZ-CE2 3.73Å; F311-Y342 HydrophobicContact CZ-CE2 3.73Å; I325-Y342 HydrophobicContact CD1-CD1 3.47Å; I325-Y342 VanDerWaalsContact CD1-CD1 3.47Å; I325-Y342 HydrophobicContact CD1-CE1 4.1Å; I325-Y342 HydrophobicContact CD1-CG 4.43Å; I325-Y342 HydrophobicContact CG1-CD1 4.07Å; I325-Y342 HydrophobicContact CG1-CE1 4.23Å; E338-Y342 VanDerWaalsContact O-CB 3.28Å; E338-Y342 WeakPolarHBondContact O-CB 3.34Å; E338-Y342 PolarHBondContact O-N 2.82Å; N339-Y342 PolarHBondContact O-N 2.91Å; Y342-L346 HydrophobicContact CE1-CB 4.38Å; Y342-L346 HydrophobicContact CE1-CD2 3.68Å; Y342-L346 WeakPolarHBondContact O-CB 3.41Å; Y342-L346 PolarHBondContact O-N 3.31Å |
| 343 | W | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -52.8 | -179.5 | -176.1 | 22.1 | 0 | 0 | 0 | 112.1 | I325 L326 P332 N339 V340 L341 V345 L346 V347 L370 L371 P372 M377 M380 L408 L411 | I325-W343 HydrophobicContact CD1-CB 3.8Å; I325-W343 HydrophobicContact CD1-CG 4.47Å; L326-W343 HydrophobicContact CD2-CD2 4.02Å; L326-W343 HydrophobicContact CD2-CG 4.12Å; P332-W343 VanDerWaalsContact CD-CZ3 3.41Å; P332-W343 HydrophobicContact CG-CD2 4.14Å; P332-W343 HydrophobicContact CG-CE3 3.31Å; P332-W343 HydrophobicContact CG-CH2 4.17Å; P332-W343 HydrophobicContact CG-CZ3 3.33Å; N339-W343 VanDerWaalsContact O-CB 3.26Å; N339-W343 WeakPolarHBondContact O-CB 3.27Å; N339-W343 PolarHBondContact O-N 3.48Å; V340-W343 HydrophobicContact CG2-CE3 4.44Å; V340-W343 PolarHBondContact O-N 2.79Å; L341-W343 PolarHBondContact O-N 3.06Å; W343-V345 PolarHBondContact O-N 2.88Å; W343-L346 PolarHBondContact O-N 3.46Å; W343-V347 WeakPolarHBondContact O-CG2 3.25Å; W343-V347 PolarHBondContact O-N 3.03Å; W343-L370 PolarHBondContact NE1-O 3.4Å; W343-L371 HydrophobicContact CZ2-CD2 4.27Å; W343-P372 HydrophobicContact CH2-CG 4.35Å; W343-P372 HydrophobicContact CZ2-CG 4.39Å; W343-M377 HydrophobicContact CH2-SD 4.11Å; W343-M380 HydrophobicContact CH2-CE 4.41Å; W343-M380 HydrophobicContact CZ3-CE 4.2Å; W343-L408 HydrophobicContact CZ3-CD2 3.94Å; W343-L411 HydrophobicContact CD2-CD1 3.64Å; W343-L411 HydrophobicContact CD2-CD2 3.99Å; W343-L411 HydrophobicContact CD2-CG 4.49Å; W343-L411 HydrophobicContact CE3-CD1 3.31Å; W343-L411 HydrophobicContact CE3-CD2 4.46Å; W343-L411 HydrophobicContact CG-CD1 4.2Å; W343-L411 HydrophobicContact CG-CD2 4.21Å; W343-L411 HydrophobicContact CH2-CD1 4.29Å; W343-L411 HydrophobicContact CZ2-CD2 4.34Å; W343-L411 HydrophobicContact CZ3-CD1 3.68Å |
| 344 | K | 98.5 | Very high | 97.4 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 4% | 0.039 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54 | -53.8 | 177.6 | -172.5 | -162.6 | 76.8 | 179.5 | 0 | 111.3 | E304 V340 L341 L346 V347 E348 D410 L411 L414 | E304-K344 IonicContact OE1-NZ 3.7Å; E304-K344 PolarHBondContact OE1-NZ 3.11Å; V340-K344 WeakPolarHBondContact O-CB 3.08Å; V340-K344 PolarHBondContact O-N 2.98Å; L341-K344 PolarHBondContact O-N 2.89Å; K344-L346 VanDerWaalsContact C-N 3.3Å; K344-L346 PolarHBondContact O-N 2.9Å; K344-V347 PolarHBondContact O-N 3.35Å; K344-E348 WeakPolarHBondContact O-CG 3.14Å; K344-E348 PolarHBondContact O-N 3.14Å; K344-D410 HydrophobicContact CD-CB 3.64Å; K344-D410 HydrophobicContact CG-CB 4.24Å; K344-D410 IonicContact NZ-OD2 3.52Å; K344-L411 HydrophobicContact CB-CD1 4.25Å; K344-L411 HydrophobicContact CB-CD2 4.35Å; K344-L411 HydrophobicContact CB-CG 3.99Å; K344-L411 HydrophobicContact CG-CG 4.2Å; K344-L414 HydrophobicContact CG-CD1 4.38Å |
| 345 | V | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.024 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.8 | -33 | -175.2 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | E304 L307 F311 L341 W343 Y349 | E304-V345 HydrophobicContact CB-CG2 4.43Å; E304-V345 HydrophobicContact CG-CG2 3.73Å; L307-V345 HydrophobicContact CB-CB 4.39Å; L307-V345 HydrophobicContact CB-CG1 3.85Å; L307-V345 HydrophobicContact CD1-CB 3.94Å; L307-V345 HydrophobicContact CD1-CG1 4.25Å; L307-V345 HydrophobicContact CD1-CG2 3.92Å; F311-V345 HydrophobicContact CE2-CB 4.29Å; F311-V345 HydrophobicContact CE2-CG1 3.93Å; L341-V345 HydrophobicContact CD1-CG2 3.8Å; L341-V345 HydrophobicContact CG-CG2 4.08Å; L341-V345 WeakPolarHBondContact O-CG2 3.49Å; L341-V345 PolarHBondContact O-N 3.22Å; W343-V345 PolarHBondContact O-N 2.88Å; V345-Y349 WeakPolarHBondContact O-CB 3.5Å; V345-Y349 PolarHBondContact O-N 3.15Å |
| 346 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 174.1 | 176.8 | 58.9 | 0 | 0 | 0 | 111.2 | F311 L319 C323 Y342 W343 K344 Y349 A350 L370 | F311-L346 HydrophobicContact CD1-CD1 4.38Å; F311-L346 HydrophobicContact CE1-CD1 4.1Å; F311-L346 HydrophobicContact CE2-CB 4.05Å; F311-L346 HydrophobicContact CE2-CD1 4.37Å; F311-L346 HydrophobicContact CZ-CB 3.8Å; F311-L346 HydrophobicContact CZ-CD1 4.11Å; F311-L346 HydrophobicContact CZ-CG 4.49Å; L319-L346 HydrophobicContact CB-CD1 3.84Å; L319-L346 HydrophobicContact CD1-CD1 4.06Å; L319-L346 HydrophobicContact CG-CD1 4.43Å; C323-L346 HydrophobicContact CB-CD2 4.35Å; Y342-L346 HydrophobicContact CE1-CB 4.38Å; Y342-L346 HydrophobicContact CE1-CD2 3.68Å; Y342-L346 WeakPolarHBondContact O-CB 3.41Å; Y342-L346 PolarHBondContact O-N 3.31Å; W343-L346 PolarHBondContact O-N 3.46Å; K344-L346 VanDerWaalsContact C-N 3.3Å; K344-L346 PolarHBondContact O-N 2.9Å; L346-Y349 PolarHBondContact O-N 3.3Å; L346-A350 VanDerWaalsContact O-CB 3.23Å; L346-A350 WeakPolarHBondContact O-CB 3.42Å; L346-A350 PolarHBondContact O-N 2.95Å; L346-L370 HydrophobicContact CD2-CD1 4.39Å; L346-L370 HydrophobicContact CD2-CD2 3.84Å; L346-L370 HydrophobicContact CG-CD1 4.02Å; L346-L370 HydrophobicContact CG-CD2 4.37Å |
| 347 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -47.3 | 176.7 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | W343 K344 Y349 A350 K351 I367 L370 L371 L411 L414 | W343-V347 WeakPolarHBondContact O-CG2 3.25Å; W343-V347 PolarHBondContact O-N 3.03Å; K344-V347 PolarHBondContact O-N 3.35Å; V347-Y349 PolarHBondContact O-N 3.03Å; V347-A350 PolarHBondContact O-N 3.39Å; V347-K351 VanDerWaalsContact O-CB 3.25Å; V347-K351 WeakPolarHBondContact O-CB 3.47Å; V347-K351 PolarHBondContact O-N 3.09Å; V347-I367 HydrophobicContact CG1-CG2 4.36Å; V347-L370 HydrophobicContact CG2-CB 3.88Å; V347-L370 HydrophobicContact CG2-CD1 4.46Å; V347-L371 HydrophobicContact CG1-CD1 4.04Å; V347-L371 HydrophobicContact CG1-CD2 4.12Å; V347-L371 HydrophobicContact CG1-CG 4.13Å; V347-L371 HydrophobicContact CG2-CD2 3.91Å; V347-L371 HydrophobicContact CG2-CG 4.26Å; V347-L411 HydrophobicContact CB-CD2 4.41Å; V347-L411 HydrophobicContact CG2-CD2 4.07Å; V347-L414 HydrophobicContact CB-CD1 4.08Å; V347-L414 HydrophobicContact CG1-CB 3.95Å; V347-L414 HydrophobicContact CG1-CD1 3.76Å; V347-L414 HydrophobicContact CG1-CG 4.41Å |
| 348 | E | 97.9 | Very high | 96.9 | Very high | 66 Ų | 66 | 38.2 Ų | 38.2 | 31% | 0.308 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 176.6 | -70.8 | 172 | 165.4 | 0 | 0 | 111.6 | K344 K351 V352 L414 | K344-E348 WeakPolarHBondContact O-CG 3.14Å; K344-E348 PolarHBondContact O-N 3.14Å; E348-K351 PolarHBondContact O-N 2.89Å; E348-V352 WeakPolarHBondContact O-CB 3.5Å; E348-V352 VanDerWaalsContact O-CG2 3.29Å; E348-V352 WeakPolarHBondContact O-CG2 3.34Å; E348-V352 PolarHBondContact O-N 3.38Å; E348-L414 HydrophobicContact CG-CD1 3.64Å; E348-L414 HydrophobicContact CG-CD2 4.18Å |
| 349 | Y | 98.2 | Very high | 96.8 | Very high | 33 Ų | 33 | 40.9 Ų | 40.9 | 13% | 0.129 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -50.9 | 178.6 | 178.4 | -93.9 | 0 | 0 | 0 | 111.5 | T308 F311 K312 V316 L319 V345 L346 V347 K351 V352 I353 | T308-Y349 HydrophobicContact CG2-CD2 4.35Å; F311-Y349 HydrophobicContact CB-CD1 3.65Å; F311-Y349 HydrophobicContact CB-CD2 4.07Å; F311-Y349 HydrophobicContact CB-CE1 3.56Å; F311-Y349 HydrophobicContact CB-CE2 3.99Å; F311-Y349 HydrophobicContact CB-CG 3.91Å; F311-Y349 HydrophobicContact CD2-CD1 4.16Å; F311-Y349 HydrophobicContact CD2-CD2 4.37Å; F311-Y349 AromaticContact CD2-CG 3.88Å; F311-Y349 HydrophobicContact CD2-CG 3.88Å; F311-Y349 HydrophobicContact CG-CD1 4.19Å; F311-Y349 HydrophobicContact CG-CG 4.3Å; F311-Y349 PolarHBondContact O-OH 3.19Å; K312-Y349 WeakPolarHBondContact CA-OH 3.46Å; K312-Y349 HydrophobicContact CG-CE2 4.3Å; K312-Y349 PolarHBondContact N-OH 3.43Å; V316-Y349 HydrophobicContact CG2-CE1 4.42Å; L319-Y349 HydrophobicContact CD1-CD1 4.21Å; L319-Y349 HydrophobicContact CD1-CE1 3.98Å; V345-Y349 WeakPolarHBondContact O-CB 3.5Å; V345-Y349 PolarHBondContact O-N 3.15Å; L346-Y349 PolarHBondContact O-N 3.3Å; V347-Y349 PolarHBondContact O-N 3.03Å; Y349-K351 VanDerWaalsContact C-N 3.25Å; Y349-K351 PolarHBondContact O-N 2.96Å; Y349-V352 PolarHBondContact O-N 3.19Å; Y349-I353 HydrophobicContact CD1-CG1 4.17Å; Y349-I353 HydrophobicContact CD2-CG1 4.21Å; Y349-I353 HydrophobicContact CE1-CG1 3.78Å; Y349-I353 HydrophobicContact CE2-CD1 4.13Å; Y349-I353 HydrophobicContact CE2-CG1 3.82Å; Y349-I353 HydrophobicContact CG-CG1 4.37Å; Y349-I353 WeakPolarHBondContact O-CB 3.49Å; Y349-I353 VanDerWaalsContact O-CG1 3.3Å; Y349-I353 WeakPolarHBondContact O-CG1 3.48Å; Y349-I353 PolarHBondContact O-N 3.46Å |
| 350 | A | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.1 | -40.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V316 L346 V347 S354 I367 L370 | V316-A350 HydrophobicContact CG1-CB 3.88Å; L346-A350 VanDerWaalsContact O-CB 3.23Å; L346-A350 WeakPolarHBondContact O-CB 3.42Å; L346-A350 PolarHBondContact O-N 2.95Å; V347-A350 PolarHBondContact O-N 3.39Å; A350-S354 WeakPolarHBondContact O-CB 3.31Å; A350-S354 PolarHBondContact O-N 3.11Å; A350-S354 PolarHBondContact O-OG 3.05Å; A350-I367 HydrophobicContact CB-CD1 3.8Å; A350-L370 HydrophobicContact CB-CD1 3.87Å |
| 351 | K | 96.1 | Very high | 96.1 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.1 | -52.9 | 177.8 | -176.2 | 173.1 | -178.9 | 173.3 | 0 | 110.9 | V347 E348 Y349 I353 S354 E355 I367 L414 | V347-K351 VanDerWaalsContact O-CB 3.25Å; V347-K351 WeakPolarHBondContact O-CB 3.47Å; V347-K351 PolarHBondContact O-N 3.09Å; E348-K351 PolarHBondContact O-N 2.89Å; Y349-K351 VanDerWaalsContact C-N 3.25Å; Y349-K351 PolarHBondContact O-N 2.96Å; K351-I353 VanDerWaalsContact C-N 3.31Å; K351-I353 PolarHBondContact O-N 3.03Å; K351-S354 PolarHBondContact O-N 3.22Å; K351-E355 WeakPolarHBondContact CE-OE1 3.44Å; K351-E355 HydrophobicContact CG-CG 4.32Å; K351-E355 WeakPolarHBondContact CG-OE1 3.32Å; K351-E355 WeakPolarHBondContact O-CB 3.46Å; K351-E355 VanDerWaalsContact O-CG 3.29Å; K351-E355 WeakPolarHBondContact O-CG 3.36Å; K351-E355 PolarHBondContact O-N 2.78Å; K351-I367 HydrophobicContact CB-CD1 3.81Å; K351-I367 HydrophobicContact CB-CG1 4.3Å; K351-L414 HydrophobicContact CD-CD2 4.5Å |
| 352 | V | 96.2 | Very high | 95.9 | Very high | 67 Ų | 67 | 51 Ų | 51 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -38.4 | -179.7 | 168.9 | 0 | 0 | 0 | 0 | 112.4 | E348 Y349 K356 | E348-V352 WeakPolarHBondContact O-CB 3.5Å; E348-V352 VanDerWaalsContact O-CG2 3.29Å; E348-V352 WeakPolarHBondContact O-CG2 3.34Å; E348-V352 PolarHBondContact O-N 3.38Å; Y349-V352 PolarHBondContact O-N 3.19Å; V352-K356 HydrophobicContact CG1-CD 4.42Å; V352-K356 WeakPolarHBondContact O-CD 3.11Å; V352-K356 VanDerWaalsContact O-CG 3.25Å; V352-K356 WeakPolarHBondContact O-CG 3.43Å |
| 353 | I | 96.5 | Very high | 95.6 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.5 | -40.5 | 178.4 | -64.7 | -59 | 0 | 0 | 0 | 111.4 | V316 Y349 K351 K356 N357 | V316-I353 HydrophobicContact CG2-CB 4.15Å; V316-I353 HydrophobicContact CG2-CG2 3.8Å; Y349-I353 HydrophobicContact CD1-CG1 4.17Å; Y349-I353 HydrophobicContact CD2-CG1 4.21Å; Y349-I353 HydrophobicContact CE1-CG1 3.78Å; Y349-I353 HydrophobicContact CE2-CD1 4.13Å; Y349-I353 HydrophobicContact CE2-CG1 3.82Å; Y349-I353 HydrophobicContact CG-CG1 4.37Å; Y349-I353 WeakPolarHBondContact O-CB 3.49Å; Y349-I353 VanDerWaalsContact O-CG1 3.3Å; Y349-I353 WeakPolarHBondContact O-CG1 3.48Å; Y349-I353 PolarHBondContact O-N 3.46Å; K351-I353 VanDerWaalsContact C-N 3.31Å; K351-I353 PolarHBondContact O-N 3.03Å; I353-K356 PolarHBondContact O-N 2.88Å; I353-N357 PolarHBondContact O-N 2.87Å; I353-N357 PolarHBondContact O-ND2 3.45Å |
| 354 | S | 94.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.9 | -46.3 | 179.4 | -60 | 0 | 0 | 0 | 0 | 111.4 | A350 K351 K356 N357 L358 | A350-S354 WeakPolarHBondContact O-CB 3.31Å; A350-S354 PolarHBondContact O-N 3.11Å; A350-S354 PolarHBondContact O-OG 3.05Å; K351-S354 PolarHBondContact O-N 3.22Å; S354-K356 PolarHBondContact O-N 3.49Å; S354-K356 VanDerWaalsContact O-N 3.1Å; S354-N357 PolarHBondContact O-N 3.21Å; S354-L358 WeakPolarHBondContact O-CA 3.39Å; S354-L358 WeakPolarHBondContact O-CB 3.29Å; S354-L358 PolarHBondContact O-N 3.2Å |
| 355 | E | 94.6 | Very high | 95 | Very high | 111 Ų | 111 | 60 Ų | 60 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.3 | -26.9 | 177.7 | -72.2 | 175.3 | 171.7 | 0 | 0 | 113.3 | K351 T363 | K351-E355 WeakPolarHBondContact CE-OE1 3.44Å; K351-E355 HydrophobicContact CG-CG 4.32Å; K351-E355 WeakPolarHBondContact CG-OE1 3.32Å; K351-E355 WeakPolarHBondContact O-CB 3.46Å; K351-E355 VanDerWaalsContact O-CG 3.29Å; K351-E355 WeakPolarHBondContact O-CG 3.36Å; K351-E355 PolarHBondContact O-N 2.78Å; E355-T363 HydrophobicContact CG-CG2 3.86Å |
| 356 | K | 94.5 | Very high | 94.7 | Very high | 152 Ų | 152 | 60.8 Ų | 60.8 | 66% | 0.661 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -79.3 | -28.2 | 176.8 | -75.8 | 173.2 | -175.3 | 169.3 | 0 | 113.6 | V352 I353 S354 | V352-K356 HydrophobicContact CG1-CD 4.42Å; V352-K356 WeakPolarHBondContact O-CD 3.11Å; V352-K356 VanDerWaalsContact O-CG 3.25Å; V352-K356 WeakPolarHBondContact O-CG 3.43Å; I353-K356 PolarHBondContact O-N 2.88Å; S354-K356 PolarHBondContact O-N 3.49Å; S354-K356 VanDerWaalsContact O-N 3.1Å |
| 357 | N | 92.9 | Very high | 94.5 | Very high | 122 Ų | 122 | 61.5 Ų | 61.5 | 65% | 0.652 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -115.9 | -21.5 | -167.7 | -65.6 | -52.5 | 0 | 0 | 0 | 113.7 | I353 S354 | I353-N357 PolarHBondContact O-N 2.87Å; I353-N357 PolarHBondContact O-ND2 3.45Å; S354-N357 PolarHBondContact O-N 3.21Å |
| 358 | L | 94 | Very high | 94.2 | Very high | 62 Ų | 62 | 64.8 Ų | 64.8 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -126.3 | 165.5 | -170.4 | -56.7 | 176 | 0 | 0 | 0 | 110.5 | S354 E362 I366 | S354-L358 WeakPolarHBondContact O-CA 3.39Å; S354-L358 WeakPolarHBondContact O-CB 3.29Å; S354-L358 PolarHBondContact O-N 3.2Å; L358-E362 HydrophobicContact CB-CB 3.95Å; L358-E362 HydrophobicContact CD1-CB 4.33Å; L358-I366 HydrophobicContact CD1-CD1 3.26Å |
| 359 | N | 93.8 | Very high | 94.1 | Very high | 86 Ų | 86 | 66.2 Ų | 66.2 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | trans | -79 | 171.2 | 172.1 | 70 | 62.5 | 0 | 0 | 0 | 111.5 | A361 E362 T363 | N359-A361 PolarHBondContact O-N 2.95Å; N359-A361 PolarHBondContact OD1-N 2.87Å; N359-E362 PolarHBondContact N-OE2 3.24Å; N359-E362 PolarHBondContact ND2-OE2 2.82Å; N359-E362 PolarHBondContact O-N 3.4Å; N359-E362 PolarHBondContact OD1-N 3.43Å; N359-T363 WeakPolarHBondContact O-CB 3.17Å; N359-T363 PolarHBondContact O-N 3.2Å; N359-T363 PolarHBondContact O-OG1 2.9Å | ||
| 360 | A | 90.6 | Very high | 94.1 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 69% | 0.686 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.7 | -40.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T363 E364 | A360-T363 WeakPolarHBondContact O-CB 3.21Å; A360-T363 PolarHBondContact O-N 3.34Å; A360-E364 WeakPolarHBondContact O-CB 3.45Å; A360-E364 PolarHBondContact O-N 3.32Å |
| 361 | A | 91.8 | Very high | 94.1 | Very high | 60 Ų | 60 | 65.3 Ų | 65.3 | 50% | 0.496 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.2 | -39 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N359 T365 | N359-A361 PolarHBondContact O-N 2.95Å; N359-A361 PolarHBondContact OD1-N 2.87Å; A361-T365 PolarHBondContact O-N 3.45Å; A361-T365 VanDerWaalsContact O-N 3.08Å; A361-T365 PolarHBondContact O-OG1 3.2Å |
| 362 | E | 93.3 | Very high | 94.1 | Very high | 91 Ų | 91 | 62.8 Ų | 62.8 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 173.3 | -71.9 | 172.6 | 154.9 | 0 | 0 | 111.2 | L358 N359 E364 T365 I366 | L358-E362 HydrophobicContact CB-CB 3.95Å; L358-E362 HydrophobicContact CD1-CB 4.33Å; N359-E362 PolarHBondContact N-OE2 3.24Å; N359-E362 PolarHBondContact ND2-OE2 2.82Å; N359-E362 PolarHBondContact O-N 3.4Å; N359-E362 PolarHBondContact OD1-N 3.43Å; E362-E364 PolarHBondContact O-N 2.72Å; E362-T365 WeakPolarHBondContact O-CB 3.42Å; E362-T365 PolarHBondContact O-N 3.44Å; E362-I366 WeakPolarHBondContact O-CG1 3.38Å; E362-I366 PolarHBondContact O-N 2.93Å |
| 363 | T | 92.7 | Very high | 94 | Very high | 10 Ų | 10 | 62.2 Ų | 62.2 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.6 | -50.2 | 175.2 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | E355 N359 A360 T365 I366 I367 | E355-T363 HydrophobicContact CG-CG2 3.86Å; N359-T363 WeakPolarHBondContact O-CB 3.17Å; N359-T363 PolarHBondContact O-N 3.2Å; N359-T363 PolarHBondContact O-OG1 2.9Å; A360-T363 WeakPolarHBondContact O-CB 3.21Å; A360-T363 PolarHBondContact O-N 3.34Å; T363-T365 VanDerWaalsContact C-N 3.29Å; T363-T365 PolarHBondContact O-N 3.02Å; T363-I366 PolarHBondContact O-N 3.22Å; T363-I366 VanDerWaalsContact O-N 3.14Å; T363-I367 HydrophobicContact CG2-CG1 4.26Å; T363-I367 VanDerWaalsContact O-CG1 3.3Å; T363-I367 WeakPolarHBondContact O-CG1 3.1Å; T363-I367 PolarHBondContact O-N 3.3Å |
| 364 | E | 90.9 | Very high | 94 | Very high | 115 Ų | 115 | 60.8 Ų | 60.8 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.7 | -40.8 | 178.7 | -169 | -178.3 | 164.9 | 0 | 0 | 112.1 | A360 E362 I366 I367 S368 | A360-E364 WeakPolarHBondContact O-CB 3.45Å; A360-E364 PolarHBondContact O-N 3.32Å; E362-E364 PolarHBondContact O-N 2.72Å; E364-I366 PolarHBondContact O-N 2.84Å; E364-I367 PolarHBondContact O-N 2.89Å; E364-S368 WeakPolarHBondContact O-CB 3.47Å; E364-S368 PolarHBondContact O-N 3.38Å; E364-S368 PolarHBondContact O-OG 3.42Å |
| 365 | T | 93.1 | Very high | 94.1 | Very high | 84 Ų | 84 | 64.4 Ų | 64.4 | 52% | 0.515 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.8 | -56 | 0 | 0 | 0 | 0 | 112 | A361 E362 T363 S368 Q369 | A361-T365 PolarHBondContact O-N 3.45Å; A361-T365 VanDerWaalsContact O-N 3.08Å; A361-T365 PolarHBondContact O-OG1 3.2Å; E362-T365 WeakPolarHBondContact O-CB 3.42Å; E362-T365 PolarHBondContact O-N 3.44Å; T363-T365 VanDerWaalsContact C-N 3.29Å; T363-T365 PolarHBondContact O-N 3.02Å; T365-S368 PolarHBondContact O-OG 3.34Å; T365-Q369 PolarHBondContact O-NE2 3.44Å |
| 366 | I | 93.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.2 | -47.2 | 176.2 | -69.7 | -180 | 0 | 0 | 0 | 110.5 | V316 I320 L358 E362 T363 E364 S368 Q369 | V316-I366 HydrophobicContact CG1-CG2 3.73Å; I320-I366 HydrophobicContact CD1-CG2 3.6Å; L358-I366 HydrophobicContact CD1-CD1 3.26Å; E362-I366 WeakPolarHBondContact O-CG1 3.38Å; E362-I366 PolarHBondContact O-N 2.93Å; T363-I366 PolarHBondContact O-N 3.22Å; T363-I366 VanDerWaalsContact O-N 3.14Å; E364-I366 PolarHBondContact O-N 2.84Å; I366-S368 VanDerWaalsContact C-N 3.31Å; I366-S368 PolarHBondContact O-N 2.94Å; I366-Q369 WeakPolarHBondContact O-CB 3.06Å; I366-Q369 PolarHBondContact O-N 3.5Å; I366-Q369 VanDerWaalsContact O-N 3.13Å |
| 367 | I | 93.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -34 | -177.7 | -61.2 | -52.8 | 0 | 0 | 0 | 112.3 | V347 A350 K351 T363 E364 Q369 L370 L371 | V347-I367 HydrophobicContact CG1-CG2 4.36Å; A350-I367 HydrophobicContact CB-CD1 3.8Å; K351-I367 HydrophobicContact CB-CD1 3.81Å; K351-I367 HydrophobicContact CB-CG1 4.3Å; T363-I367 HydrophobicContact CG2-CG1 4.26Å; T363-I367 VanDerWaalsContact O-CG1 3.3Å; T363-I367 WeakPolarHBondContact O-CG1 3.1Å; T363-I367 PolarHBondContact O-N 3.3Å; E364-I367 PolarHBondContact O-N 2.89Å; I367-Q369 PolarHBondContact O-N 3.42Å; I367-Q369 VanDerWaalsContact O-N 3.1Å; I367-L370 PolarHBondContact O-N 2.93Å; I367-L371 HydrophobicContact CG2-CD1 3.59Å; I367-L371 HydrophobicContact CG2-CG 4.28Å; I367-L371 PolarHBondContact O-N 3.4Å |
| 368 | S | 92.5 | Very high | 94.6 | Very high | 69 Ų | 69 | 47.8 Ų | 47.8 | 48% | 0.483 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.3 | 174.9 | 74.1 | 0 | 0 | 0 | 0 | 114.4 | N330 E364 T365 I366 L370 | N330-S368 PolarHBondContact ND2-O 3.14Å; E364-S368 WeakPolarHBondContact O-CB 3.47Å; E364-S368 PolarHBondContact O-N 3.38Å; E364-S368 PolarHBondContact O-OG 3.42Å; T365-S368 PolarHBondContact O-OG 3.34Å; I366-S368 VanDerWaalsContact C-N 3.31Å; I366-S368 PolarHBondContact O-N 2.94Å; S368-L370 VanDerWaalsContact C-N 3.32Å |
| 369 | Q | 95.3 | Very high | 94.8 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -13.4 | 175.4 | -65.7 | 172.5 | 61.9 | 0 | 0 | 112.8 | I320 N330 T365 I366 I367 | I320-Q369 HydrophobicContact CG2-CB 3.96Å; N330-Q369 PolarHBondContact ND2-O 2.99Å; N330-Q369 PolarHBondContact OD1-O 3.46Å; T365-Q369 PolarHBondContact O-NE2 3.44Å; I366-Q369 WeakPolarHBondContact O-CB 3.06Å; I366-Q369 PolarHBondContact O-N 3.5Å; I366-Q369 VanDerWaalsContact O-N 3.13Å; I367-Q369 PolarHBondContact O-N 3.42Å; I367-Q369 VanDerWaalsContact O-N 3.1Å |
| 370 | L | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -13 | -179 | -68.3 | 173.1 | 0 | 0 | 0 | 113.2 | I320 L326 W343 L346 V347 A350 I367 S368 | I320-L370 HydrophobicContact CB-CD2 4.47Å; I320-L370 HydrophobicContact CD1-CD1 4.35Å; I320-L370 HydrophobicContact CD1-CG 4.42Å; I320-L370 HydrophobicContact CG1-CD1 3.9Å; I320-L370 HydrophobicContact CG1-CD2 3.9Å; I320-L370 HydrophobicContact CG1-CG 3.87Å; I320-L370 HydrophobicContact CG2-CD2 4.45Å; L326-L370 HydrophobicContact CD1-CD2 4.31Å; W343-L370 PolarHBondContact NE1-O 3.4Å; L346-L370 HydrophobicContact CD2-CD1 4.39Å; L346-L370 HydrophobicContact CD2-CD2 3.84Å; L346-L370 HydrophobicContact CG-CD1 4.02Å; L346-L370 HydrophobicContact CG-CD2 4.37Å; V347-L370 HydrophobicContact CG2-CB 3.88Å; V347-L370 HydrophobicContact CG2-CD1 4.46Å; A350-L370 HydrophobicContact CB-CD1 3.87Å; I367-L370 PolarHBondContact O-N 2.93Å; S368-L370 VanDerWaalsContact C-N 3.32Å |
| 371 | L | 97.3 | Very high | 95.3 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -114.4 | 143 | -179.1 | -68.5 | 174.7 | 0 | 0 | 0 | 111 | N330 W343 V347 I367 L411 L414 M415 | N330-L371 WeakPolarHBondContact CB-O 3.29Å; N330-L371 PolarHBondContact ND2-O 3.34Å; W343-L371 HydrophobicContact CZ2-CD2 4.27Å; V347-L371 HydrophobicContact CG1-CD1 4.04Å; V347-L371 HydrophobicContact CG1-CD2 4.12Å; V347-L371 HydrophobicContact CG1-CG 4.13Å; V347-L371 HydrophobicContact CG2-CD2 3.91Å; V347-L371 HydrophobicContact CG2-CG 4.26Å; I367-L371 HydrophobicContact CG2-CD1 3.59Å; I367-L371 HydrophobicContact CG2-CG 4.28Å; I367-L371 PolarHBondContact O-N 3.4Å; L371-L411 HydrophobicContact CD2-CD2 3.95Å; L371-L414 HydrophobicContact CD1-CB 4.47Å; L371-M415 HydrophobicContact CD1-CG 4.17Å; L371-M415 HydrophobicContact CD2-CG 4.42Å |
| 372 | P | 96.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.071 | 23% | 0.23 | C | C | . | . | trans | -73.7 | 176.5 | 173.7 | 34.4 | -41.1 | 0 | 0 | 0 | 111 | K329 L331 W343 D376 M377 M415 | K329-P372 WeakPolarHBondContact O-CA 3.25Å; K329-P372 WeakPolarHBondContact O-CB 3.16Å; L331-P372 HydrophobicContact CD2-CB 3.8Å; L331-P372 HydrophobicContact CD2-CG 3.85Å; L331-P372 HydrophobicContact CG-CB 4.04Å; W343-P372 HydrophobicContact CH2-CG 4.35Å; W343-P372 HydrophobicContact CZ2-CG 4.39Å; P372-D376 HydrophobicContact CB-CB 4.25Å; P372-M377 HydrophobicContact CG-CB 3.9Å; P372-M377 HydrophobicContact CG-SD 4.12Å; P372-M415 HydrophobicContact CG-CE 4.31Å; P372-M415 WeakPolarHBondContact O-CE 3.35Å | ||
| 373 | S | 95 | Very high | 95.9 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 38% | 0.378 | 23% | 0.229 | S | C | . | . | trans | -65.4 | 152.4 | 164.5 | 79.4 | 0 | 0 | 0 | 0 | 110.7 | I375 D376 M377 | S373-I375 PolarHBondContact O-N 3.28Å; S373-D376 PolarHBondContact O-N 3.37Å; S373-D376 VanDerWaalsContact O-N 3.11Å; S373-D376 WeakPolarHBondContact OG-CB 3.23Å; S373-D376 VanDerWaalsContact OG-CG 3.25Å; S373-D376 PolarHBondContact OG-N 3.2Å; S373-D376 PolarHBondContact OG-OD2 3.44Å; S373-M377 PolarHBondContact O-N 2.84Å | ||
| 374 | V | 96.2 | Very high | 96.1 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -36.3 | 176 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | S378 M415 L417 S422 L426 | V374-S378 WeakPolarHBondContact O-CB 3.5Å; V374-S378 PolarHBondContact O-N 3.08Å; V374-S378 PolarHBondContact O-OG 3.26Å; V374-M415 HydrophobicContact CB-CE 4.29Å; V374-M415 HydrophobicContact CG2-CE 3.74Å; V374-L417 HydrophobicContact CG2-CD2 4.21Å; V374-S422 WeakPolarHBondContact CG1-O 3.43Å; V374-L426 HydrophobicContact CG1-CD1 3.56Å; V374-L426 HydrophobicContact CG1-CD2 4.4Å; V374-L426 HydrophobicContact CG1-CG 3.57Å |
| 375 | I | 95.9 | Very high | 96.5 | Very high | 79 Ų | 79 | 38.1 Ų | 38.1 | 41% | 0.405 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.9 | -46 | 177.8 | -59.3 | 174.3 | 0 | 0 | 0 | 111 | S373 S378 R379 T425 | S373-I375 PolarHBondContact O-N 3.28Å; I375-S378 PolarHBondContact O-N 3.05Å; I375-R379 VanDerWaalsContact CG2-NH2 3.27Å; I375-R379 WeakPolarHBondContact O-CG 3.28Å; I375-R379 PolarHBondContact O-N 2.75Å; I375-R379 VanDerWaalsContact O-N 3.12Å; I375-T425 HydrophobicContact CG1-CG2 4.36Å |
| 376 | D | 97.3 | Very high | 96.6 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 17% | 0.171 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.3 | -38 | 179.6 | -68.8 | -51.6 | 0 | 0 | 0 | 111.5 | K329 L331 P372 S373 R379 M380 | K329-D376 IonicContact NZ-OD1 3.61Å; L331-D376 HydrophobicContact CD1-CB 4.19Å; P372-D376 HydrophobicContact CB-CB 4.25Å; S373-D376 PolarHBondContact O-N 3.37Å; S373-D376 VanDerWaalsContact O-N 3.11Å; S373-D376 WeakPolarHBondContact OG-CB 3.23Å; S373-D376 VanDerWaalsContact OG-CG 3.25Å; S373-D376 PolarHBondContact OG-N 3.2Å; S373-D376 PolarHBondContact OG-OD2 3.44Å; D376-R379 IonicContact OD1-NH1 3.25Å; D376-M380 WeakPolarHBondContact O-CB 3.3Å; D376-M380 PolarHBondContact O-N 2.98Å |
| 377 | M | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 172.5 | -171.8 | 63.1 | 174.9 | 0 | 0 | 111.5 | W343 P372 S373 R379 M380 F381 L408 L411 I412 M415 | W343-M377 HydrophobicContact CH2-SD 4.11Å; P372-M377 HydrophobicContact CG-CB 3.9Å; P372-M377 HydrophobicContact CG-SD 4.12Å; S373-M377 PolarHBondContact O-N 2.84Å; M377-R379 PolarHBondContact O-N 2.83Å; M377-M380 HydrophobicContact CE-CE 4.26Å; M377-M380 PolarHBondContact O-N 3.37Å; M377-M380 HydrophobicContact SD-CE 3.6Å; M377-F381 VanDerWaalsContact O-CB 3.29Å; M377-F381 WeakPolarHBondContact O-CB 3.23Å; M377-F381 PolarHBondContact O-N 3.19Å; M377-L408 HydrophobicContact CE-CB 4.16Å; M377-L408 HydrophobicContact CE-CD2 3.99Å; M377-L408 WeakPolarHBondContact CE-O 3.39Å; M377-L411 HydrophobicContact CE-CB 4.06Å; M377-I412 HydrophobicContact CE-CD1 4.3Å; M377-I412 HydrophobicContact CE-CG1 3.57Å; M377-I412 HydrophobicContact CG-CG1 3.87Å; M377-M415 HydrophobicContact CB-CE 3.91Å; M377-M415 HydrophobicContact CB-SD 3.78Å; M377-M415 HydrophobicContact CG-CE 4.43Å; M377-M415 HydrophobicContact CG-SD 3.66Å |
| 378 | S | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.3 | -48.1 | -179.5 | -57.2 | 0 | 0 | 0 | 0 | 111 | V374 I375 M380 F381 E382 L426 | V374-S378 WeakPolarHBondContact O-CB 3.5Å; V374-S378 PolarHBondContact O-N 3.08Å; V374-S378 PolarHBondContact O-OG 3.26Å; I375-S378 PolarHBondContact O-N 3.05Å; S378-M380 PolarHBondContact O-N 3.44Å; S378-F381 PolarHBondContact O-N 2.93Å; S378-E382 VanDerWaalsContact O-CB 3.28Å; S378-E382 WeakPolarHBondContact O-CB 3.38Å; S378-E382 PolarHBondContact O-N 3.36Å; S378-L426 WeakPolarHBondContact OG-CD2 3.21Å |
| 379 | R | 97.8 | Very high | 97 | Very high | 154 Ų | 154 | 37.9 Ų | 37.9 | 58% | 0.581 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.1 | -41.6 | 178.3 | -70.1 | 178.7 | -169.1 | 137.9 | -0.1 | 113 | I375 D376 M377 S383 | I375-R379 VanDerWaalsContact CG2-NH2 3.27Å; I375-R379 WeakPolarHBondContact O-CG 3.28Å; I375-R379 PolarHBondContact O-N 2.75Å; I375-R379 VanDerWaalsContact O-N 3.12Å; D376-R379 IonicContact OD1-NH1 3.25Å; M377-R379 PolarHBondContact O-N 2.83Å; R379-S383 WeakPolarHBondContact O-CB 3.41Å; R379-S383 PolarHBondContact O-N 3.49Å |
| 380 | M | 98.1 | Very high | 97 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 14% | 0.143 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.6 | -44.4 | 179.5 | 179.7 | -83 | -72.1 | 0 | 0 | 110.9 | L331 L335 W343 D376 M377 S378 S383 F384 L408 | L331-M380 HydrophobicContact CD1-CB 4.47Å; L331-M380 HydrophobicContact CD2-CB 4.06Å; L331-M380 HydrophobicContact CD2-CE 3.93Å; L331-M380 HydrophobicContact CD2-CG 4.2Å; L335-M380 HydrophobicContact CD1-SD 3.77Å; L335-M380 HydrophobicContact CD2-SD 4.3Å; W343-M380 HydrophobicContact CH2-CE 4.41Å; W343-M380 HydrophobicContact CZ3-CE 4.2Å; D376-M380 WeakPolarHBondContact O-CB 3.3Å; D376-M380 PolarHBondContact O-N 2.98Å; M377-M380 HydrophobicContact CE-CE 4.26Å; M377-M380 PolarHBondContact O-N 3.37Å; M377-M380 HydrophobicContact SD-CE 3.6Å; S378-M380 PolarHBondContact O-N 3.44Å; M380-S383 PolarHBondContact O-N 2.94Å; M380-F384 WeakPolarHBondContact O-CB 3.37Å; M380-F384 PolarHBondContact O-N 3.3Å; M380-L408 HydrophobicContact CE-CD1 4.32Å; M380-L408 HydrophobicContact CE-CD2 3.81Å; M380-L408 HydrophobicContact SD-CD1 4.03Å |
| 381 | F | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 176.7 | -176.3 | -106.1 | 0 | 0 | 0 | 111.3 | M377 S378 F384 V385 V405 L408 I409 I412 I430 L433 L447 | M377-F381 VanDerWaalsContact O-CB 3.29Å; M377-F381 WeakPolarHBondContact O-CB 3.23Å; M377-F381 PolarHBondContact O-N 3.19Å; S378-F381 PolarHBondContact O-N 2.93Å; F381-F384 PolarHBondContact O-N 3.39Å; F381-V385 HydrophobicContact CD1-CG2 4.46Å; F381-V385 HydrophobicContact CE1-CG2 4.16Å; F381-V385 HydrophobicContact CE2-CG2 4.26Å; F381-V385 HydrophobicContact CZ-CG2 4.05Å; F381-V385 VanDerWaalsContact O-CG2 3.31Å; F381-V385 WeakPolarHBondContact O-CG2 3.42Å; F381-V385 PolarHBondContact O-N 3.38Å; F381-V405 HydrophobicContact CE2-CG1 4.16Å; F381-V405 HydrophobicContact CZ-CG1 4.2Å; F381-L408 HydrophobicContact CD2-CB 3.84Å; F381-L408 HydrophobicContact CD2-CD1 3.97Å; F381-L408 HydrophobicContact CE2-CB 4.04Å; F381-I409 HydrophobicContact CE2-CG1 4Å; F381-I409 HydrophobicContact CZ-CD1 4.25Å; F381-I409 HydrophobicContact CZ-CG1 3.89Å; F381-I412 HydrophobicContact CD1-CD1 4.45Å; F381-I412 HydrophobicContact CD2-CD1 4.35Å; F381-I412 HydrophobicContact CG-CD1 4.25Å; F381-I430 HydrophobicContact CE1-CD1 3.97Å; F381-L433 HydrophobicContact CD1-CD1 3.79Å; F381-L433 HydrophobicContact CE1-CD1 3.64Å; F381-L447 HydrophobicContact CE1-CD2 3.96Å; F381-L447 HydrophobicContact CZ-CD2 4.24Å |
| 382 | E | 98.4 | Very high | 96.6 | Very high | 49 Ų | 49 | 43.1 Ų | 43.1 | 23% | 0.229 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -49.8 | 177.4 | -168.9 | -179.2 | 157.3 | 0 | 0 | 112.2 | S378 F384 V385 L386 T429 H432 L433 | S378-E382 VanDerWaalsContact O-CB 3.28Å; S378-E382 WeakPolarHBondContact O-CB 3.38Å; S378-E382 PolarHBondContact O-N 3.36Å; E382-F384 PolarHBondContact O-N 3.41Å; E382-V385 PolarHBondContact O-N 3.09Å; E382-L386 HydrophobicContact CG-CD1 3.94Å; E382-L386 HydrophobicContact CG-CG 4.46Å; E382-L386 WeakPolarHBondContact O-CB 3.35Å; E382-L386 WeakPolarHBondContact O-CG 3.32Å; E382-L386 PolarHBondContact O-N 3.34Å; E382-T429 HydrophobicContact CB-CG2 3.84Å; E382-T429 HydrophobicContact CG-CG2 4.25Å; E382-H432 IonicContact OE1-CD2 3.33Å; E382-H432 PolarHBondContact OE1-CD2 2.87Å; E382-H432 IonicContact OE1-NE2 3.02Å; E382-L433 HydrophobicContact CG-CD2 3.88Å; E382-L433 HydrophobicContact CG-CG 4.3Å |
| 383 | S | 97.6 | Very high | 96.1 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | R379 M380 V385 D387 | R379-S383 WeakPolarHBondContact O-CB 3.41Å; R379-S383 PolarHBondContact O-N 3.49Å; M380-S383 PolarHBondContact O-N 2.94Å; S383-V385 VanDerWaalsContact C-N 3.35Å; S383-V385 PolarHBondContact O-N 2.91Å; S383-D387 WeakPolarHBondContact O-CA 3.47Å; S383-D387 WeakPolarHBondContact O-CB 3.49Å; S383-D387 PolarHBondContact O-N 3.3Å; S383-D387 PolarHBondContact OG-OD2 3.14Å |
| 384 | F | 98.2 | Very high | 96 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 176.8 | -178 | -99.7 | 0 | 0 | 0 | 111.9 | L335 M380 F381 E382 T388 H389 I404 V405 L408 | L335-F384 HydrophobicContact CB-CD2 4.42Å; L335-F384 HydrophobicContact CB-CE2 4.22Å; L335-F384 HydrophobicContact CD1-CB 4.19Å; L335-F384 HydrophobicContact CD1-CD2 3.43Å; L335-F384 VanDerWaalsContact CD1-CD2 3.43Å; L335-F384 HydrophobicContact CD1-CE2 4.05Å; L335-F384 HydrophobicContact CD1-CG 3.97Å; M380-F384 WeakPolarHBondContact O-CB 3.37Å; M380-F384 PolarHBondContact O-N 3.3Å; F381-F384 PolarHBondContact O-N 3.39Å; E382-F384 PolarHBondContact O-N 3.41Å; F384-T388 HydrophobicContact CD2-CG2 4.39Å; F384-T388 HydrophobicContact CE2-CG2 3.88Å; F384-T388 HydrophobicContact CZ-CG2 4.32Å; F384-T388 WeakPolarHBondContact O-CA 3.49Å; F384-T388 WeakPolarHBondContact O-CB 3.4Å; F384-T388 PolarHBondContact O-N 2.96Å; F384-H389 PolarHBondContact O-N 3.31Å; F384-I404 HydrophobicContact CD1-CG2 4.17Å; F384-I404 HydrophobicContact CE1-CB 3.84Å; F384-I404 HydrophobicContact CE1-CG2 3.51Å; F384-I404 HydrophobicContact CE2-CD1 4.28Å; F384-I404 HydrophobicContact CE2-CG2 4.12Å; F384-I404 HydrophobicContact CZ-CB 3.72Å; F384-I404 HydrophobicContact CZ-CD1 3.79Å; F384-I404 HydrophobicContact CZ-CG1 4.36Å; F384-I404 HydrophobicContact CZ-CG2 3.48Å; F384-I404 VanDerWaalsContact CZ-CG2 3.48Å; F384-V405 HydrophobicContact CD1-CG2 4.22Å; F384-V405 HydrophobicContact CE1-CG2 4.01Å; F384-L408 HydrophobicContact CD1-CD1 4.29Å |
| 385 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -53.5 | 178.8 | 171 | 0 | 0 | 0 | 0 | 111 | F381 E382 S383 H389 M390 V405 L433 L443 | F381-V385 HydrophobicContact CD1-CG2 4.46Å; F381-V385 HydrophobicContact CE1-CG2 4.16Å; F381-V385 HydrophobicContact CE2-CG2 4.26Å; F381-V385 HydrophobicContact CZ-CG2 4.05Å; F381-V385 VanDerWaalsContact O-CG2 3.31Å; F381-V385 WeakPolarHBondContact O-CG2 3.42Å; F381-V385 PolarHBondContact O-N 3.38Å; E382-V385 PolarHBondContact O-N 3.09Å; S383-V385 VanDerWaalsContact C-N 3.35Å; S383-V385 PolarHBondContact O-N 2.91Å; V385-H389 PolarHBondContact O-N 3.33Å; V385-M390 HydrophobicContact CG1-CG 4.34Å; V385-M390 HydrophobicContact CG1-SD 4.17Å; V385-M390 WeakPolarHBondContact O-CG 3.48Å; V385-M390 PolarHBondContact O-N 3.45Å; V385-V405 HydrophobicContact CG2-CG2 4.16Å; V385-L433 HydrophobicContact CB-CD1 4.3Å; V385-L433 HydrophobicContact CB-CD2 4.01Å; V385-L433 HydrophobicContact CG1-CD1 4.36Å; V385-L433 HydrophobicContact CG1-CD2 3.75Å; V385-L433 HydrophobicContact CG2-CD1 4.29Å; V385-L443 HydrophobicContact CG1-CD1 4.07Å; V385-L443 HydrophobicContact CG1-CD2 3.42Å; V385-L443 VanDerWaalsContact CG1-CD2 3.42Å; V385-L443 HydrophobicContact CG1-CG 4.41Å; V385-L443 HydrophobicContact CG2-CD1 4.35Å |
| 386 | L | 96.9 | Very high | 95.5 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 23% | 0.225 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.2 | -40.5 | -175.9 | -64.7 | 179.3 | 0 | 0 | 0 | 112.8 | E382 M390 K391 L433 | E382-L386 HydrophobicContact CG-CD1 3.94Å; E382-L386 HydrophobicContact CG-CG 4.46Å; E382-L386 WeakPolarHBondContact O-CB 3.35Å; E382-L386 WeakPolarHBondContact O-CG 3.32Å; E382-L386 PolarHBondContact O-N 3.34Å; L386-M390 HydrophobicContact CD2-CE 4.4Å; L386-M390 HydrophobicContact CD2-SD 3.64Å; L386-K391 VanDerWaalsContact O-CE 3.3Å; L386-K391 WeakPolarHBondContact O-CE 3.29Å; L386-L433 HydrophobicContact CD1-CD2 4.36Å; L386-L433 HydrophobicContact CD2-CD2 3.78Å; L386-L433 HydrophobicContact CG-CD2 3.77Å |
| 387 | D | 95.5 | Very high | 95.4 | Very high | 87 Ų | 87 | 63.5 Ų | 63.5 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -93.2 | -19.3 | -171.6 | -64.2 | -50 | 0 | 0 | 0 | 114.6 | S383 K391 | S383-D387 WeakPolarHBondContact O-CA 3.47Å; S383-D387 WeakPolarHBondContact O-CB 3.49Å; S383-D387 PolarHBondContact O-N 3.3Å; S383-D387 PolarHBondContact OG-OD2 3.14Å; D387-K391 WeakPolarHBondContact O-CD 3.48Å; D387-K391 IonicContact OD1-NZ 3.9Å; D387-K391 PolarHBondContact OD1-NZ 3.38Å |
| 388 | T | 95.5 | Very high | 95.3 | Very high | 53 Ų | 53 | 67.4 Ų | 67.4 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -64.8 | -177.9 | -48.3 | 0 | 0 | 0 | 0 | 111.5 | F384 M390 K391 N392 | F384-T388 HydrophobicContact CD2-CG2 4.39Å; F384-T388 HydrophobicContact CE2-CG2 3.88Å; F384-T388 HydrophobicContact CZ-CG2 4.32Å; F384-T388 WeakPolarHBondContact O-CA 3.49Å; F384-T388 WeakPolarHBondContact O-CB 3.4Å; F384-T388 PolarHBondContact O-N 2.96Å; T388-M390 PolarHBondContact O-N 3.22Å; T388-K391 PolarHBondContact O-N 3.22Å; T388-K391 VanDerWaalsContact O-N 3.16Å; T388-N392 PolarHBondContact O-N 3.26Å; T388-N392 PolarHBondContact O-OD1 3.29Å |
| 389 | H | 96.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.009 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -59.2 | -51.9 | -172.3 | 175.4 | 55.2 | 0 | 0 | 0 | 112.5 | F384 V385 K391 N392 S401 V405 D440 | F384-H389 PolarHBondContact O-N 3.31Å; V385-H389 PolarHBondContact O-N 3.33Å; H389-K391 PolarHBondContact O-N 3.16Å; H389-N392 PolarHBondContact O-N 3.4Å; H389-S401 PolarHBondContact ND1-OG 3.27Å; H389-V405 HydrophobicContact CB-CG2 4.48Å; H389-D440 IonicContact CE1-OD2 3.6Å; H389-D440 IonicContact NE2-OD2 3.97Å; H389-D440 PolarHBondContact NE2-OD2 2.73Å |
| 390 | M | 94.3 | Very high | 95.2 | Very high | 63 Ų | 63 | 65 Ų | 65 | 31% | 0.31 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -69.7 | -12.2 | -179 | -70.4 | 175.1 | 58.2 | 0 | 0 | 114.6 | V385 L386 T388 S436 L443 | V385-M390 HydrophobicContact CG1-CG 4.34Å; V385-M390 HydrophobicContact CG1-SD 4.17Å; V385-M390 WeakPolarHBondContact O-CG 3.48Å; V385-M390 PolarHBondContact O-N 3.45Å; L386-M390 HydrophobicContact CD2-CE 4.4Å; L386-M390 HydrophobicContact CD2-SD 3.64Å; T388-M390 PolarHBondContact O-N 3.22Å; M390-S436 VanDerWaalsContact CE-O 3.23Å; M390-S436 WeakPolarHBondContact CE-O 3.3Å; M390-L443 HydrophobicContact CG-CD2 4.39Å; M390-L443 HydrophobicContact SD-CD2 4.47Å |
| 391 | K | 93.7 | Very high | 95.2 | Very high | 124 Ų | 124 | 63.7 Ų | 63.7 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -102.4 | -3.5 | 178.2 | -60.6 | -175.4 | -165.8 | 155 | 0 | 112.6 | L386 D387 T388 H389 D393 | L386-K391 VanDerWaalsContact O-CE 3.3Å; L386-K391 WeakPolarHBondContact O-CE 3.29Å; D387-K391 WeakPolarHBondContact O-CD 3.48Å; D387-K391 IonicContact OD1-NZ 3.9Å; D387-K391 PolarHBondContact OD1-NZ 3.38Å; T388-K391 PolarHBondContact O-N 3.22Å; T388-K391 VanDerWaalsContact O-N 3.16Å; H389-K391 PolarHBondContact O-N 3.16Å; K391-D393 PolarHBondContact O-N 3.13Å |
| 392 | N | 92.1 | Very high | 95.1 | Very high | 35 Ų | 35 | 65.4 Ų | 65.4 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | trans | -85.8 | 99.1 | -179.1 | -78 | -11.6 | 0 | 0 | 0 | 110.8 | T388 H389 E397 | T388-N392 PolarHBondContact O-N 3.26Å; T388-N392 PolarHBondContact O-OD1 3.29Å; H389-N392 PolarHBondContact O-N 3.4Å; N392-E397 HydrophobicContact CB-CB 4.07Å; N392-E397 PolarHBondContact ND2-O 3.06Å | ||
| 393 | D | 86.6 | Confident | 95.1 | Very high | 159 Ų | 159 | 64 Ų | 64 | 85% | 0.85 | 32% | 0.322 | S | S | * | . | trans | -83.8 | -19.1 | 178.8 | -62.1 | -38.3 | 0 | 0 | 0 | 113.5 | K391 | K391-D393 PolarHBondContact O-N 3.13Š| ||
| 394 | K | 93.1 | Very high | 95.2 | Very high | 130 Ų | 130 | 61.7 Ų | 61.7 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -85 | 134.1 | -179.2 | -57.6 | -169.4 | -156.3 | 126.3 | 0 | 110.7 | D396 E397 R398 | K394-D396 VanDerWaalsContact C-N 3.35Å; K394-D396 PolarHBondContact O-N 3.32Å; K394-E397 HydrophobicContact CB-CB 4.28Å; K394-E397 HydrophobicContact CB-CG 4.23Å; K394-E397 IonicContact NZ-OE1 2.9Å; K394-E397 PolarHBondContact NZ-OE1 3.45Å; K394-E397 IonicContact NZ-OE2 3.07Å; K394-E397 PolarHBondContact O-N 3.44Å; K394-R398 PolarHBondContact O-N 3.16Å |
| 395 | E | 91.2 | Very high | 95.2 | Very high | 126 Ų | 126 | 61 Ų | 61 | 59% | 0.589 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -50.1 | -49.3 | -179 | -171.1 | 62.1 | -163.4 | 0 | 0 | 113.4 | E397 R398 I399 | E395-E397 VanDerWaalsContact C-N 3.33Å; E395-E397 PolarHBondContact O-N 2.89Å; E395-R398 WeakPolarHBondContact O-CB 3.31Å; E395-R398 PolarHBondContact O-N 3.45Å; E395-I399 HydrophobicContact CG-CD1 3.97Å; E395-I399 WeakPolarHBondContact O-CG1 3.48Å; E395-I399 PolarHBondContact O-N 3.46Å |
| 396 | D | 91.8 | Very high | 95.2 | Very high | 129 Ų | 129 | 62 Ų | 62 | 69% | 0.69 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.9 | -37.2 | -179.1 | -63 | -31.7 | 0 | 0 | 0 | 112.9 | K394 S400 | K394-D396 VanDerWaalsContact C-N 3.35Å; K394-D396 PolarHBondContact O-N 3.32Å; D396-S400 WeakPolarHBondContact O-CB 3.16Å; D396-S400 PolarHBondContact O-N 2.66Å; D396-S400 PolarHBondContact O-OG 2.86Å |
| 397 | E | 95.1 | Very high | 95.3 | Very high | 76 Ų | 76 | 60.5 Ų | 60.5 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.7 | -37.8 | 177.8 | -67.6 | 169 | -176.1 | 0 | 0 | 110.3 | N392 K394 E395 S400 S401 | N392-E397 HydrophobicContact CB-CB 4.07Å; N392-E397 PolarHBondContact ND2-O 3.06Å; K394-E397 HydrophobicContact CB-CB 4.28Å; K394-E397 HydrophobicContact CB-CG 4.23Å; K394-E397 IonicContact NZ-OE1 2.9Å; K394-E397 PolarHBondContact NZ-OE1 3.45Å; K394-E397 IonicContact NZ-OE2 3.07Å; K394-E397 PolarHBondContact O-N 3.44Å; E395-E397 VanDerWaalsContact C-N 3.33Å; E395-E397 PolarHBondContact O-N 2.89Å; E397-S400 PolarHBondContact O-N 3.35Å; E397-S401 WeakPolarHBondContact O-CB 2.99Å; E397-S401 PolarHBondContact O-N 3.41Å; E397-S401 PolarHBondContact O-OG 3.28Å |
| 398 | R | 94.8 | Very high | 95.5 | Very high | 83 Ų | 83 | 56.4 Ų | 56.4 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -54.8 | 174.8 | -173.1 | -178.5 | 175.9 | 159.5 | 14.6 | 110.8 | K394 E395 S400 S401 E402 D440 | K394-R398 PolarHBondContact O-N 3.16Å; E395-R398 WeakPolarHBondContact O-CB 3.31Å; E395-R398 PolarHBondContact O-N 3.45Å; R398-S400 PolarHBondContact O-N 2.89Å; R398-S401 WeakPolarHBondContact CA-OG 3.46Å; R398-S401 CarbonylContact O-C 3.58Å; R398-S401 PolarHBondContact O-N 3.05Å; R398-S401 PolarHBondContact O-OG 3.08Å; R398-E402 HydrophobicContact CG-CG 4.23Å; R398-E402 WeakPolarHBondContact CG-OE1 3.32Å; R398-E402 IonicContact CZ-OE1 2.63Å; R398-E402 IonicContact NE-OE1 3.78Å; R398-E402 PolarHBondContact NE-OE1 2.87Å; R398-E402 IonicContact NH2-OE1 2.91Å; R398-E402 WeakPolarHBondContact O-CG 3.32Å; R398-E402 PolarHBondContact O-N 2.94Å; R398-D440 IonicContact NH2-OD1 3.86Å; R398-D440 IonicContact NH2-OD2 2.62Å |
| 399 | I | 96.3 | Very high | 95.6 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 32% | 0.323 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.4 | -43.1 | 177.4 | -68.7 | 167.6 | 0 | 0 | 0 | 111.2 | I297 E395 E402 F403 | I297-I399 HydrophobicContact CD1-CG2 4.1Å; I297-I399 HydrophobicContact CG2-CG2 3.92Å; E395-I399 HydrophobicContact CG-CD1 3.97Å; E395-I399 WeakPolarHBondContact O-CG1 3.48Å; E395-I399 PolarHBondContact O-N 3.46Å; I399-E402 PolarHBondContact O-N 2.99Å; I399-F403 WeakPolarHBondContact O-CB 3.4Å; I399-F403 PolarHBondContact O-N 3.01Å |
| 400 | S | 96.9 | Very high | 95.7 | Very high | 42 Ų | 42 | 57.7 Ų | 57.7 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 112 | D396 E397 R398 F403 I404 | D396-S400 WeakPolarHBondContact O-CB 3.16Å; D396-S400 PolarHBondContact O-N 2.66Å; D396-S400 PolarHBondContact O-OG 2.86Å; E397-S400 PolarHBondContact O-N 3.35Å; R398-S400 PolarHBondContact O-N 2.89Å; S400-F403 PolarHBondContact O-N 2.9Å; S400-I404 WeakPolarHBondContact O-CG1 3.29Å; S400-I404 PolarHBondContact O-N 2.95Å |
| 401 | S | 97.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68 | -37.4 | 177.2 | 66 | 0 | 0 | 0 | 0 | 113 | H389 E397 R398 F403 I404 V405 | H389-S401 PolarHBondContact ND1-OG 3.27Å; E397-S401 WeakPolarHBondContact O-CB 2.99Å; E397-S401 PolarHBondContact O-N 3.41Å; E397-S401 PolarHBondContact O-OG 3.28Å; R398-S401 WeakPolarHBondContact CA-OG 3.46Å; R398-S401 CarbonylContact O-C 3.58Å; R398-S401 PolarHBondContact O-N 3.05Å; R398-S401 PolarHBondContact O-OG 3.08Å; S401-F403 VanDerWaalsContact C-N 3.34Å; S401-F403 PolarHBondContact O-N 2.75Å; S401-I404 PolarHBondContact O-N 2.95Å; S401-V405 WeakPolarHBondContact O-CG2 3.41Å; S401-V405 PolarHBondContact O-N 2.91Å |
| 402 | E | 97.7 | Very high | 96 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.9 | -73.1 | 179.9 | 177.1 | 0 | 0 | 111.2 | R398 I399 V405 A406 Y442 | R398-E402 HydrophobicContact CG-CG 4.23Å; R398-E402 WeakPolarHBondContact CG-OE1 3.32Å; R398-E402 IonicContact CZ-OE1 2.63Å; R398-E402 IonicContact NE-OE1 3.78Å; R398-E402 PolarHBondContact NE-OE1 2.87Å; R398-E402 IonicContact NH2-OE1 2.91Å; R398-E402 WeakPolarHBondContact O-CG 3.32Å; R398-E402 PolarHBondContact O-N 2.94Å; I399-E402 PolarHBondContact O-N 2.99Å; E402-V405 PolarHBondContact O-N 3.1Å; E402-A406 PolarHBondContact O-N 3.2Å; E402-Y442 HydrophobicContact CB-CD1 4Å; E402-Y442 HydrophobicContact CB-CE1 3.58Å; E402-Y442 HydrophobicContact CB-CE2 4.28Å; E402-Y442 HydrophobicContact CB-CG 4.48Å; E402-Y442 HydrophobicContact CG-CD1 3.56Å; E402-Y442 HydrophobicContact CG-CD2 4.41Å; E402-Y442 HydrophobicContact CG-CE1 3.71Å; E402-Y442 HydrophobicContact CG-CG 3.92Å; E402-Y442 PolarHBondContact O-OH 3.05Å |
| 403 | F | 98.5 | Very high | 96.1 | Very high | 19 Ų | 19 | 50.4 Ų | 50.4 | 8% | 0.083 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 173.3 | -178 | -94 | 0 | 0 | 0 | 111.1 | V296 I297 T300 C337 V340 L341 I399 S400 S401 A406 Q407 | V296-F403 HydrophobicContact CG1-CE1 4.07Å; V296-F403 HydrophobicContact CG1-CZ 3.84Å; I297-F403 HydrophobicContact CB-CD2 4.37Å; I297-F403 HydrophobicContact CD1-CB 4.4Å; I297-F403 HydrophobicContact CG1-CB 4.2Å; I297-F403 HydrophobicContact CG1-CD1 4.29Å; I297-F403 HydrophobicContact CG1-CD2 4.24Å; I297-F403 HydrophobicContact CG1-CG 3.97Å; I297-F403 HydrophobicContact CG2-CB 4.47Å; I297-F403 HydrophobicContact CG2-CD2 4.17Å; I297-F403 HydrophobicContact CG2-CG 4.49Å; T300-F403 HydrophobicContact CG2-CE2 4.1Å; T300-F403 HydrophobicContact CG2-CZ 4.13Å; T300-F403 WeakPolarHBondContact OG1-CE2 3.45Å; C337-F403 HydrophobicContact CB-CD1 3.69Å; C337-F403 HydrophobicContact CB-CE1 3.89Å; V340-F403 HydrophobicContact CG1-CE1 4.45Å; L341-F403 HydrophobicContact CB-CE1 4.46Å; L341-F403 HydrophobicContact CB-CZ 4.48Å; I399-F403 WeakPolarHBondContact O-CB 3.4Å; I399-F403 PolarHBondContact O-N 3.01Å; S400-F403 PolarHBondContact O-N 2.9Å; S401-F403 VanDerWaalsContact C-N 3.34Å; S401-F403 PolarHBondContact O-N 2.75Å; F403-A406 PolarHBondContact O-N 3.37Å; F403-Q407 HydrophobicContact CD1-CG 4Å; F403-Q407 HydrophobicContact CE1-CG 3.54Å; F403-Q407 HydrophobicContact CE2-CG 4.36Å; F403-Q407 HydrophobicContact CZ-CG 3.75Å; F403-Q407 WeakPolarHBondContact O-CG 3.23Å; F403-Q407 PolarHBondContact O-N 3.14Å |
| 404 | I | 98.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 177.5 | -66.8 | 165 | 0 | 0 | 0 | 110.9 | L335 V340 F384 S400 S401 A406 Q407 L408 | L335-I404 HydrophobicContact CD2-CG2 4.48Å; V340-I404 HydrophobicContact CG1-CB 4.47Å; V340-I404 HydrophobicContact CG1-CG1 4.07Å; V340-I404 HydrophobicContact CG1-CG2 4.47Å; F384-I404 HydrophobicContact CD1-CG2 4.17Å; F384-I404 HydrophobicContact CE1-CB 3.84Å; F384-I404 HydrophobicContact CE1-CG2 3.51Å; F384-I404 HydrophobicContact CE2-CD1 4.28Å; F384-I404 HydrophobicContact CE2-CG2 4.12Å; F384-I404 HydrophobicContact CZ-CB 3.72Å; F384-I404 HydrophobicContact CZ-CD1 3.79Å; F384-I404 HydrophobicContact CZ-CG1 4.36Å; F384-I404 HydrophobicContact CZ-CG2 3.48Å; F384-I404 VanDerWaalsContact CZ-CG2 3.48Å; S400-I404 WeakPolarHBondContact O-CG1 3.29Å; S400-I404 PolarHBondContact O-N 2.95Å; S401-I404 PolarHBondContact O-N 2.95Å; I404-A406 VanDerWaalsContact C-N 3.31Å; I404-A406 PolarHBondContact O-N 2.96Å; I404-Q407 PolarHBondContact O-N 2.95Å; I404-L408 HydrophobicContact CG2-CD1 3.83Å; I404-L408 HydrophobicContact CG2-CG 4.06Å; I404-L408 WeakPolarHBondContact O-CB 3.25Å; I404-L408 VanDerWaalsContact O-CG 3.28Å; I404-L408 WeakPolarHBondContact O-CG 3.22Å; I404-L408 PolarHBondContact O-N 3.39Å |
| 405 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.1 | -46.8 | 175.8 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | F381 F384 V385 H389 S401 E402 L408 I409 Y442 L443 | F381-V405 HydrophobicContact CE2-CG1 4.16Å; F381-V405 HydrophobicContact CZ-CG1 4.2Å; F384-V405 HydrophobicContact CD1-CG2 4.22Å; F384-V405 HydrophobicContact CE1-CG2 4.01Å; V385-V405 HydrophobicContact CG2-CG2 4.16Å; H389-V405 HydrophobicContact CB-CG2 4.48Å; S401-V405 WeakPolarHBondContact O-CG2 3.41Å; S401-V405 PolarHBondContact O-N 2.91Å; E402-V405 PolarHBondContact O-N 3.1Å; V405-L408 PolarHBondContact O-N 3.19Å; V405-I409 HydrophobicContact CG1-CD1 3.83Å; V405-I409 VanDerWaalsContact O-CG1 3.3Å; V405-I409 WeakPolarHBondContact O-CG1 3.33Å; V405-I409 PolarHBondContact O-N 2.94Å; V405-Y442 HydrophobicContact CB-CE1 4.38Å; V405-Y442 HydrophobicContact CG1-CE1 4.26Å; V405-L443 HydrophobicContact CG1-CD1 4.35Å |
| 406 | A | 98.5 | Very high | 96.5 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E402 F403 I404 L408 I409 D410 Y442 | E402-A406 PolarHBondContact O-N 3.2Å; F403-A406 PolarHBondContact O-N 3.37Å; I404-A406 VanDerWaalsContact C-N 3.31Å; I404-A406 PolarHBondContact O-N 2.96Å; A406-L408 VanDerWaalsContact C-N 3.31Å; A406-L408 PolarHBondContact O-N 3.22Å; A406-I409 PolarHBondContact O-N 3.37Å; A406-D410 PolarHBondContact O-N 3.29Å; A406-Y442 WeakPolarHBondContact CB-OH 3.38Å |
| 407 | Q | 98.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | 179.5 | -59.2 | -42.1 | -74.5 | 0 | 0 | 112.1 | V340 F403 I404 D410 L411 | V340-Q407 HydrophobicContact CB-CB 4.26Å; V340-Q407 HydrophobicContact CG1-CB 3.66Å; V340-Q407 HydrophobicContact CG1-CG 3.81Å; V340-Q407 HydrophobicContact CG2-CB 3.65Å; F403-Q407 HydrophobicContact CD1-CG 4Å; F403-Q407 HydrophobicContact CE1-CG 3.54Å; F403-Q407 HydrophobicContact CE2-CG 4.36Å; F403-Q407 HydrophobicContact CZ-CG 3.75Å; F403-Q407 WeakPolarHBondContact O-CG 3.23Å; F403-Q407 PolarHBondContact O-N 3.14Å; I404-Q407 PolarHBondContact O-N 2.95Å; Q407-D410 PolarHBondContact O-N 2.89Å; Q407-L411 PolarHBondContact O-N 2.98Å |
| 408 | L | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.8 | -38.3 | 175.3 | -69.9 | -178.8 | 0 | 0 | 0 | 112 | L335 V340 W343 M377 M380 F381 F384 I404 V405 A406 L411 I412 | L335-L408 HydrophobicContact CD2-CD2 4.39Å; V340-L408 HydrophobicContact CG2-CD2 3.58Å; V340-L408 HydrophobicContact CG2-CG 4.01Å; W343-L408 HydrophobicContact CZ3-CD2 3.94Å; M377-L408 HydrophobicContact CE-CB 4.16Å; M377-L408 HydrophobicContact CE-CD2 3.99Å; M377-L408 WeakPolarHBondContact CE-O 3.39Å; M380-L408 HydrophobicContact CE-CD1 4.32Å; M380-L408 HydrophobicContact CE-CD2 3.81Å; M380-L408 HydrophobicContact SD-CD1 4.03Å; F381-L408 HydrophobicContact CD2-CB 3.84Å; F381-L408 HydrophobicContact CD2-CD1 3.97Å; F381-L408 HydrophobicContact CE2-CB 4.04Å; F384-L408 HydrophobicContact CD1-CD1 4.29Å; I404-L408 HydrophobicContact CG2-CD1 3.83Å; I404-L408 HydrophobicContact CG2-CG 4.06Å; I404-L408 WeakPolarHBondContact O-CB 3.25Å; I404-L408 VanDerWaalsContact O-CG 3.28Å; I404-L408 WeakPolarHBondContact O-CG 3.22Å; I404-L408 PolarHBondContact O-N 3.39Å; V405-L408 PolarHBondContact O-N 3.19Å; A406-L408 VanDerWaalsContact C-N 3.31Å; A406-L408 PolarHBondContact O-N 3.22Å; L408-L411 HydrophobicContact CD2-CD1 4.18Å; L408-L411 WeakPolarHBondContact O-CB 3.3Å; L408-L411 PolarHBondContact O-N 3.19Å; L408-I412 WeakPolarHBondContact O-CG1 3.39Å; L408-I412 PolarHBondContact O-N 3.45Å |
| 409 | I | 98.6 | Very high | 96 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 173.7 | -73 | 168.6 | 0 | 0 | 0 | 110.5 | F381 V405 A406 L411 I412 F413 K446 V450 | F381-I409 HydrophobicContact CE2-CG1 4Å; F381-I409 HydrophobicContact CZ-CD1 4.25Å; F381-I409 HydrophobicContact CZ-CG1 3.89Å; V405-I409 HydrophobicContact CG1-CD1 3.83Å; V405-I409 VanDerWaalsContact O-CG1 3.3Å; V405-I409 WeakPolarHBondContact O-CG1 3.33Å; V405-I409 PolarHBondContact O-N 2.94Å; A406-I409 PolarHBondContact O-N 3.37Å; I409-L411 VanDerWaalsContact C-N 3.28Å; I409-L411 PolarHBondContact O-N 3.02Å; I409-I412 WeakPolarHBondContact O-CB 3.33Å; I409-I412 PolarHBondContact O-N 2.89Å; I409-I412 VanDerWaalsContact O-N 3.14Å; I409-F413 HydrophobicContact CG2-CD2 4.09Å; I409-F413 HydrophobicContact CG2-CE2 3.87Å; I409-F413 VanDerWaalsContact O-CD2 3.26Å; I409-F413 WeakPolarHBondContact O-CD2 3.41Å; I409-F413 PolarHBondContact O-N 2.88Å; I409-K446 HydrophobicContact CD1-CB 3.73Å; I409-K446 HydrophobicContact CD1-CG 4.32Å; I409-V450 HydrophobicContact CB-CG2 4.41Å; I409-V450 HydrophobicContact CD1-CG2 3.9Å; I409-V450 HydrophobicContact CG1-CG2 3.99Å; I409-V450 HydrophobicContact CG2-CG2 3.53Å |
| 410 | D | 97.9 | Very high | 95.7 | Very high | 70 Ų | 70 | 35.2 Ų | 35.2 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 176 | -67.9 | -17.9 | 0 | 0 | 0 | 111 | K344 A406 Q407 I412 F413 L414 | K344-D410 HydrophobicContact CD-CB 3.64Å; K344-D410 HydrophobicContact CG-CB 4.24Å; K344-D410 IonicContact NZ-OD2 3.52Å; A406-D410 PolarHBondContact O-N 3.29Å; Q407-D410 PolarHBondContact O-N 2.89Å; D410-I412 PolarHBondContact O-N 3.44Å; D410-F413 PolarHBondContact O-N 3.33Å; D410-L414 PolarHBondContact O-N 2.81Å |
| 411 | L | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 174.7 | -85.2 | 159.1 | 0 | 0 | 0 | 113.2 | V340 W343 K344 V347 L371 M377 Q407 L408 I409 F413 L414 M415 | V340-L411 HydrophobicContact CG2-CD1 3.9Å; W343-L411 HydrophobicContact CD2-CD1 3.64Å; W343-L411 HydrophobicContact CD2-CD2 3.99Å; W343-L411 HydrophobicContact CD2-CG 4.49Å; W343-L411 HydrophobicContact CE3-CD1 3.31Å; W343-L411 HydrophobicContact CE3-CD2 4.46Å; W343-L411 HydrophobicContact CG-CD1 4.2Å; W343-L411 HydrophobicContact CG-CD2 4.21Å; W343-L411 HydrophobicContact CH2-CD1 4.29Å; W343-L411 HydrophobicContact CZ2-CD2 4.34Å; W343-L411 HydrophobicContact CZ3-CD1 3.68Å; K344-L411 HydrophobicContact CB-CD1 4.25Å; K344-L411 HydrophobicContact CB-CD2 4.35Å; K344-L411 HydrophobicContact CB-CG 3.99Å; K344-L411 HydrophobicContact CG-CG 4.2Å; V347-L411 HydrophobicContact CB-CD2 4.41Å; V347-L411 HydrophobicContact CG2-CD2 4.07Å; L371-L411 HydrophobicContact CD2-CD2 3.95Å; M377-L411 HydrophobicContact CE-CB 4.06Å; Q407-L411 PolarHBondContact O-N 2.98Å; L408-L411 HydrophobicContact CD2-CD1 4.18Å; L408-L411 WeakPolarHBondContact O-CB 3.3Å; L408-L411 PolarHBondContact O-N 3.19Å; I409-L411 VanDerWaalsContact C-N 3.28Å; I409-L411 PolarHBondContact O-N 3.02Å; L411-F413 PolarHBondContact O-N 3.49Å; L411-L414 HydrophobicContact CD2-CD1 4.4Å; L411-L414 WeakPolarHBondContact O-CB 3.24Å; L411-L414 PolarHBondContact O-N 2.87Å; L411-M415 WeakPolarHBondContact O-CG 3.43Å; L411-M415 PolarHBondContact O-N 3.32Å |
| 412 | I | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -42 | 176 | -71.9 | 167.9 | 0 | 0 | 0 | 110.2 | M377 F381 L408 I409 D410 L414 M415 L417 L426 | M377-I412 HydrophobicContact CE-CD1 4.3Å; M377-I412 HydrophobicContact CE-CG1 3.57Å; M377-I412 HydrophobicContact CG-CG1 3.87Å; F381-I412 HydrophobicContact CD1-CD1 4.45Å; F381-I412 HydrophobicContact CD2-CD1 4.35Å; F381-I412 HydrophobicContact CG-CD1 4.25Å; L408-I412 WeakPolarHBondContact O-CG1 3.39Å; L408-I412 PolarHBondContact O-N 3.45Å; I409-I412 WeakPolarHBondContact O-CB 3.33Å; I409-I412 PolarHBondContact O-N 2.89Å; I409-I412 VanDerWaalsContact O-N 3.14Å; D410-I412 PolarHBondContact O-N 3.44Å; I412-L414 PolarHBondContact O-N 3.39Å; I412-M415 VanDerWaalsContact O-CB 3.3Å; I412-M415 WeakPolarHBondContact O-CB 3.49Å; I412-M415 WeakPolarHBondContact O-CG 3.04Å; I412-M415 PolarHBondContact O-N 3.44Å; I412-M415 VanDerWaalsContact O-N 3.16Å; I412-L417 HydrophobicContact CG2-CD1 4.43Å; I412-L426 HydrophobicContact CD1-CD2 4.35Å; I412-L426 HydrophobicContact CG2-CD1 3.88Å; I412-L426 HydrophobicContact CG2-CD2 4.19Å |
| 413 | F | 95.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 39 Ų | 39 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -3.7 | 179.1 | -69.4 | -67.8 | 0 | 0 | 0 | 114.5 | I409 D410 L411 L417 V450 Q453 L454 | I409-F413 HydrophobicContact CG2-CD2 4.09Å; I409-F413 HydrophobicContact CG2-CE2 3.87Å; I409-F413 VanDerWaalsContact O-CD2 3.26Å; I409-F413 WeakPolarHBondContact O-CD2 3.41Å; I409-F413 PolarHBondContact O-N 2.88Å; D410-F413 PolarHBondContact O-N 3.33Å; L411-F413 PolarHBondContact O-N 3.49Å; F413-L417 HydrophobicContact CD1-CD1 4.23Å; F413-V450 HydrophobicContact CE2-CG1 4.29Å; F413-V450 HydrophobicContact CE2-CG2 4.11Å; F413-V450 HydrophobicContact CZ-CB 4.46Å; F413-V450 HydrophobicContact CZ-CG1 4.02Å; F413-V450 HydrophobicContact CZ-CG2 4.49Å; F413-Q453 HydrophobicContact CE1-CB 3.73Å; F413-Q453 HydrophobicContact CE2-CB 4.47Å; F413-Q453 HydrophobicContact CZ-CB 3.52Å; F413-Q453 HydrophobicContact CZ-CG 4.43Å; F413-L454 HydrophobicContact CE1-CD2 4.04Å; F413-L454 HydrophobicContact CE1-CG 4.38Å; F413-L454 HydrophobicContact CZ-CD2 4.47Å; F413-L454 HydrophobicContact CZ-CG 4.43Å |
| 414 | L | 94.8 | Very high | 94.9 | Very high | 28 Ų | 28 | 43 Ų | 43 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -14.6 | 166.8 | -63.3 | 172.7 | 0 | 0 | 0 | 112.8 | K344 V347 E348 K351 L371 D410 L411 I412 | K344-L414 HydrophobicContact CG-CD1 4.38Å; V347-L414 HydrophobicContact CB-CD1 4.08Å; V347-L414 HydrophobicContact CG1-CB 3.95Å; V347-L414 HydrophobicContact CG1-CD1 3.76Å; V347-L414 HydrophobicContact CG1-CG 4.41Å; E348-L414 HydrophobicContact CG-CD1 3.64Å; E348-L414 HydrophobicContact CG-CD2 4.18Å; K351-L414 HydrophobicContact CD-CD2 4.5Å; L371-L414 HydrophobicContact CD1-CB 4.47Å; D410-L414 PolarHBondContact O-N 2.81Å; L411-L414 HydrophobicContact CD2-CD1 4.4Å; L411-L414 WeakPolarHBondContact O-CB 3.24Å; L411-L414 PolarHBondContact O-N 2.87Å; I412-L414 PolarHBondContact O-N 3.39Å |
| 415 | M | 94.5 | Very high | 94.8 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 9% | 0.089 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -74 | 161 | 177.8 | -53.2 | -178.4 | 73.4 | 0 | 0 | 112.5 | L371 P372 V374 M377 L411 I412 L417 | L371-M415 HydrophobicContact CD1-CG 4.17Å; L371-M415 HydrophobicContact CD2-CG 4.42Å; P372-M415 HydrophobicContact CG-CE 4.31Å; P372-M415 WeakPolarHBondContact O-CE 3.35Å; V374-M415 HydrophobicContact CB-CE 4.29Å; V374-M415 HydrophobicContact CG2-CE 3.74Å; M377-M415 HydrophobicContact CB-CE 3.91Å; M377-M415 HydrophobicContact CB-SD 3.78Å; M377-M415 HydrophobicContact CG-CE 4.43Å; M377-M415 HydrophobicContact CG-SD 3.66Å; L411-M415 WeakPolarHBondContact O-CG 3.43Å; L411-M415 PolarHBondContact O-N 3.32Å; I412-M415 VanDerWaalsContact O-CB 3.3Å; I412-M415 WeakPolarHBondContact O-CB 3.49Å; I412-M415 WeakPolarHBondContact O-CG 3.04Å; I412-M415 PolarHBondContact O-N 3.44Å; I412-M415 VanDerWaalsContact O-N 3.16Å; M415-L417 HydrophobicContact CB-CD2 4.37Å; M415-L417 PolarHBondContact O-N 3.24Å |
| 416 | D | 89.1 | Confident | 94.7 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | trans | -75.9 | 105.4 | 170 | -175.3 | 17.9 | 0 | 0 | 0 | 111.2 | S418 | D416-S418 VanDerWaalsContact CG-OG 3.25Å; D416-S418 WeakPolarHBondContact OD1-CB 3.46Å; D416-S418 PolarHBondContact OD1-N 3.1Å; D416-S418 PolarHBondContact OD1-OG 2.98Å; D416-S418 PolarHBondContact OD2-OG 3.34Å | ||
| 417 | L | 91.3 | Very high | 94.6 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | trans | -105.1 | 21.8 | 175.9 | -55.3 | -177.5 | 0 | 0 | 0 | 111.8 | V374 I412 F413 M415 E419 R423 L426 L454 | V374-L417 HydrophobicContact CG2-CD2 4.21Å; I412-L417 HydrophobicContact CG2-CD1 4.43Å; F413-L417 HydrophobicContact CD1-CD1 4.23Å; M415-L417 HydrophobicContact CB-CD2 4.37Å; M415-L417 PolarHBondContact O-N 3.24Å; L417-E419 VanDerWaalsContact C-N 3.34Å; L417-R423 HydrophobicContact CB-CG 4.17Å; L417-R423 WeakPolarHBondContact O-CD 3.37Å; L417-R423 VanDerWaalsContact O-CG 3.28Å; L417-R423 WeakPolarHBondContact O-CG 3.47Å; L417-R423 PolarHBondContact O-NH1 3.3Å; L417-L426 HydrophobicContact CD1-CD1 4.39Å; L417-L426 HydrophobicContact CD2-CD1 3.36Å; L417-L454 HydrophobicContact CD1-CD2 3.65Å | ||
| 418 | S | 88.9 | Confident | 94.6 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | trans | -68.5 | -32.6 | 178.4 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | D416 R423 | D416-S418 VanDerWaalsContact CG-OG 3.25Å; D416-S418 WeakPolarHBondContact OD1-CB 3.46Å; D416-S418 PolarHBondContact OD1-N 3.1Å; D416-S418 PolarHBondContact OD1-OG 2.98Å; D416-S418 PolarHBondContact OD2-OG 3.34Å; S418-R423 PolarHBondContact O-NH1 3.38Å | ||
| 419 | E | 90.4 | Very high | 94.6 | Very high | 121 Ų | 121 | 47.5 Ų | 47.5 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -76 | 136.3 | 177.7 | -63 | -164.1 | 164.5 | 0 | 0 | 112.6 | L417 A421 S422 R423 | L417-E419 VanDerWaalsContact C-N 3.34Å; E419-A421 PolarHBondContact O-N 3.47Å; E419-S422 PolarHBondContact O-N 3.44Å; E419-R423 PolarHBondContact O-N 3.25Å |
| 420 | V | 90.7 | Very high | 94.6 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 56% | 0.558 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.4 | -45.1 | 176.6 | 179 | 0 | 0 | 0 | 0 | 110.7 | S422 R423 E424 | V420-S422 VanDerWaalsContact C-N 3.29Å; V420-S422 PolarHBondContact O-N 3.49Å; V420-R423 PolarHBondContact O-N 2.88Å; V420-R423 VanDerWaalsContact O-N 3.15Å; V420-E424 HydrophobicContact CG1-CG 4.07Å; V420-E424 WeakPolarHBondContact O-CG 3.38Å; V420-E424 PolarHBondContact O-N 3.22Å |
| 421 | A | 92.9 | Very high | 94.6 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E419 T425 | E419-A421 PolarHBondContact O-N 3.47Å; A421-T425 WeakPolarHBondContact O-CB 3.22Å; A421-T425 PolarHBondContact O-N 3.39Å; A421-T425 PolarHBondContact O-OG1 3.24Å |
| 422 | S | 92.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 50 Ų | 50 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -47.4 | 174.2 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | V374 E419 V420 T425 L426 | V374-S422 WeakPolarHBondContact CG1-O 3.43Å; E419-S422 PolarHBondContact O-N 3.44Å; V420-S422 VanDerWaalsContact C-N 3.29Å; V420-S422 PolarHBondContact O-N 3.49Å; S422-T425 PolarHBondContact O-N 3.13Å; S422-L426 PolarHBondContact O-N 3.19Å; S422-L426 VanDerWaalsContact O-N 3.12Å |
| 423 | R | 93.5 | Very high | 94.7 | Very high | 75 Ų | 75 | 50 Ų | 50 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.1 | -68.1 | -167.4 | -60.4 | -85.2 | 0.3 | 112.4 | L417 S418 E419 V420 T425 L426 K427 | L417-R423 HydrophobicContact CB-CG 4.17Å; L417-R423 WeakPolarHBondContact O-CD 3.37Å; L417-R423 VanDerWaalsContact O-CG 3.28Å; L417-R423 WeakPolarHBondContact O-CG 3.47Å; L417-R423 PolarHBondContact O-NH1 3.3Å; S418-R423 PolarHBondContact O-NH1 3.38Å; E419-R423 PolarHBondContact O-N 3.25Å; V420-R423 PolarHBondContact O-N 2.88Å; V420-R423 VanDerWaalsContact O-N 3.15Å; R423-T425 VanDerWaalsContact C-N 3.33Å; R423-T425 PolarHBondContact O-N 3.38Å; R423-L426 PolarHBondContact O-N 2.78Å; R423-K427 WeakPolarHBondContact O-CB 3.28Å; R423-K427 PolarHBondContact O-N 3.06Å |
| 424 | E | 95.1 | Very high | 94.8 | Very high | 103 Ų | 103 | 46.9 Ų | 46.9 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 178.1 | -68.9 | -55 | 134.7 | 0 | 0 | 112.3 | V420 G428 | V420-E424 HydrophobicContact CG1-CG 4.07Å; V420-E424 WeakPolarHBondContact O-CG 3.38Å; V420-E424 PolarHBondContact O-N 3.22Å; E424-G428 PolarHBondContact O-N 3.02Å |
| 425 | T | 96.2 | Very high | 94.8 | Very high | 55 Ų | 55 | 48 Ų | 48 | 34% | 0.337 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 175.6 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | I375 A421 S422 R423 G428 T429 | I375-T425 HydrophobicContact CG1-CG2 4.36Å; A421-T425 WeakPolarHBondContact O-CB 3.22Å; A421-T425 PolarHBondContact O-N 3.39Å; A421-T425 PolarHBondContact O-OG1 3.24Å; S422-T425 PolarHBondContact O-N 3.13Å; R423-T425 VanDerWaalsContact C-N 3.33Å; R423-T425 PolarHBondContact O-N 3.38Å; T425-G428 PolarHBondContact O-N 2.96Å; T425-T429 PolarHBondContact O-N 3.18Å; T425-T429 VanDerWaalsContact O-N 3.14Å |
| 426 | L | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 177.9 | -81.4 | 164 | 0 | 0 | 0 | 111.5 | V374 S378 I412 L417 S422 R423 G428 T429 I430 L454 | V374-L426 HydrophobicContact CG1-CD1 3.56Å; V374-L426 HydrophobicContact CG1-CD2 4.4Å; V374-L426 HydrophobicContact CG1-CG 3.57Å; S378-L426 WeakPolarHBondContact OG-CD2 3.21Å; I412-L426 HydrophobicContact CD1-CD2 4.35Å; I412-L426 HydrophobicContact CG2-CD1 3.88Å; I412-L426 HydrophobicContact CG2-CD2 4.19Å; L417-L426 HydrophobicContact CD1-CD1 4.39Å; L417-L426 HydrophobicContact CD2-CD1 3.36Å; S422-L426 PolarHBondContact O-N 3.19Å; S422-L426 VanDerWaalsContact O-N 3.12Å; R423-L426 PolarHBondContact O-N 2.78Å; L426-G428 VanDerWaalsContact C-N 3.32Å; L426-G428 PolarHBondContact O-N 3.21Å; L426-T429 WeakPolarHBondContact O-CB 3.37Å; L426-T429 PolarHBondContact O-N 2.92Å; L426-T429 VanDerWaalsContact O-N 3.1Å; L426-I430 VanDerWaalsContact O-CG1 3.29Å; L426-I430 WeakPolarHBondContact O-CG1 3.34Å; L426-I430 PolarHBondContact O-N 2.72Å; L426-L454 HydrophobicContact CB-CD1 3.96Å; L426-L454 HydrophobicContact CD1-CD2 4.41Å |
| 427 | K | 96.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 45.8 Ų | 45.8 | 14% | 0.135 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.3 | -50.6 | 176.3 | -179.8 | -179.2 | 172.8 | -178.4 | 0 | 110.7 | R423 T429 I430 E431 T455 E460 | R423-K427 WeakPolarHBondContact O-CB 3.28Å; R423-K427 PolarHBondContact O-N 3.06Å; K427-T429 VanDerWaalsContact C-N 3.31Å; K427-T429 PolarHBondContact O-N 2.87Å; K427-I430 PolarHBondContact O-N 3.35Å; K427-I430 VanDerWaalsContact O-N 3.09Å; K427-E431 WeakPolarHBondContact CE-OE1 3.34Å; K427-E431 HydrophobicContact CG-CG 4.31Å; K427-E431 WeakPolarHBondContact O-CB 3.33Å; K427-E431 WeakPolarHBondContact O-CG 3.3Å; K427-E431 PolarHBondContact O-N 2.88Å; K427-T455 HydrophobicContact CD-CG2 4.01Å; K427-E460 IonicContact NZ-OE2 3.85Å; K427-E460 PolarHBondContact NZ-OE2 3.32Å |
| 428 | G | 97.8 | Very high | 95.1 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E424 T425 L426 H432 | E424-G428 PolarHBondContact O-N 3.02Å; T425-G428 PolarHBondContact O-N 2.96Å; L426-G428 VanDerWaalsContact C-N 3.32Å; L426-G428 PolarHBondContact O-N 3.21Å; G428-H432 WeakPolarHBondContact O-CB 3.47Å; G428-H432 PolarHBondContact O-N 3.2Å |
| 429 | T | 98.5 | Very high | 95.3 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 172.9 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | E382 T425 L426 K427 H432 L433 | E382-T429 HydrophobicContact CB-CG2 3.84Å; E382-T429 HydrophobicContact CG-CG2 4.25Å; T425-T429 PolarHBondContact O-N 3.18Å; T425-T429 VanDerWaalsContact O-N 3.14Å; L426-T429 WeakPolarHBondContact O-CB 3.37Å; L426-T429 PolarHBondContact O-N 2.92Å; L426-T429 VanDerWaalsContact O-N 3.1Å; K427-T429 VanDerWaalsContact C-N 3.31Å; K427-T429 PolarHBondContact O-N 2.87Å; T429-H432 PolarHBondContact O-N 3.37Å; T429-L433 HydrophobicContact CG2-CD1 4.15Å; T429-L433 HydrophobicContact CG2-CG 4.49Å; T429-L433 VanDerWaalsContact O-CG 3.32Å; T429-L433 WeakPolarHBondContact O-CG 3.37Å; T429-L433 PolarHBondContact O-N 3.22Å |
| 430 | I | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 178.9 | -62.1 | -61.6 | 0 | 0 | 0 | 111.1 | F381 L426 K427 L433 L434 L447 V450 H451 L454 | F381-I430 HydrophobicContact CE1-CD1 3.97Å; L426-I430 VanDerWaalsContact O-CG1 3.29Å; L426-I430 WeakPolarHBondContact O-CG1 3.34Å; L426-I430 PolarHBondContact O-N 2.72Å; K427-I430 PolarHBondContact O-N 3.35Å; K427-I430 VanDerWaalsContact O-N 3.09Å; I430-L433 PolarHBondContact O-N 2.93Å; I430-L434 HydrophobicContact CG2-CD1 4.06Å; I430-L434 WeakPolarHBondContact O-CB 3.28Å; I430-L434 WeakPolarHBondContact O-CG 2.92Å; I430-L434 PolarHBondContact O-N 3.46Å; I430-L447 HydrophobicContact CD1-CD2 3.62Å; I430-L447 HydrophobicContact CG2-CB 4.14Å; I430-L447 HydrophobicContact CG2-CD2 4.27Å; I430-L447 WeakPolarHBondContact CG2-O 3.3Å; I430-V450 HydrophobicContact CD1-CB 4.43Å; I430-V450 HydrophobicContact CD1-CG1 3.75Å; I430-V450 HydrophobicContact CG1-CG1 3.9Å; I430-H451 HydrophobicContact CG2-CB 4.02Å; I430-L454 HydrophobicContact CG1-CD1 4.03Å |
| 431 | E | 98.3 | Very high | 95.6 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.4 | -71.4 | -178.8 | 170 | 0 | 0 | 111.7 | K427 L434 T435 H451 F464 | K427-E431 WeakPolarHBondContact CE-OE1 3.34Å; K427-E431 HydrophobicContact CG-CG 4.31Å; K427-E431 WeakPolarHBondContact O-CB 3.33Å; K427-E431 WeakPolarHBondContact O-CG 3.3Å; K427-E431 PolarHBondContact O-N 2.88Å; E431-L434 PolarHBondContact O-N 3.25Å; E431-T435 WeakPolarHBondContact O-CB 3.4Å; E431-T435 PolarHBondContact O-N 3.08Å; E431-T435 PolarHBondContact O-OG1 3.3Å; E431-H451 IonicContact OE1-NE2 2.86Å; E431-H451 PolarHBondContact OE1-NE2 3.25Å; E431-F464 HydrophobicContact CB-CD2 4.19Å; E431-F464 HydrophobicContact CB-CE2 3.48Å; E431-F464 VanDerWaalsContact CB-CE2 3.48Å; E431-F464 HydrophobicContact CB-CZ 3.7Å; E431-F464 HydrophobicContact CG-CD2 3.6Å; E431-F464 HydrophobicContact CG-CE1 4.37Å; E431-F464 HydrophobicContact CG-CE2 3.43Å; E431-F464 VanDerWaalsContact CG-CE2 3.43Å; E431-F464 HydrophobicContact CG-CG 4.16Å; E431-F464 HydrophobicContact CG-CZ 3.85Å |
| 432 | H | 98.1 | Very high | 95.7 | Very high | 84 Ų | 84 | 36 Ų | 36 | 39% | 0.389 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.2 | -43 | 175.1 | -178.8 | 60.7 | 0 | 0 | 0 | 112.1 | E382 G428 T429 T435 S436 | E382-H432 IonicContact OE1-CD2 3.33Å; E382-H432 PolarHBondContact OE1-CD2 2.87Å; E382-H432 IonicContact OE1-NE2 3.02Å; G428-H432 WeakPolarHBondContact O-CB 3.47Å; G428-H432 PolarHBondContact O-N 3.2Å; T429-H432 PolarHBondContact O-N 3.37Å; H432-T435 WeakPolarHBondContact O-CB 3.47Å; H432-T435 PolarHBondContact O-N 3.45Å; H432-S436 PolarHBondContact CE1-OG 3.37Å; H432-S436 WeakPolarHBondContact O-CB 3.05Å; H432-S436 PolarHBondContact O-N 3.39Å; H432-S436 PolarHBondContact O-OG 3.49Å |
| 433 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.6 | -43.1 | 176.7 | -70.7 | 177.2 | 0 | 0 | 0 | 111.8 | F381 E382 V385 L386 T429 I430 T435 S436 C437 L447 | F381-L433 HydrophobicContact CD1-CD1 3.79Å; F381-L433 HydrophobicContact CE1-CD1 3.64Å; E382-L433 HydrophobicContact CG-CD2 3.88Å; E382-L433 HydrophobicContact CG-CG 4.3Å; V385-L433 HydrophobicContact CB-CD1 4.3Å; V385-L433 HydrophobicContact CB-CD2 4.01Å; V385-L433 HydrophobicContact CG1-CD1 4.36Å; V385-L433 HydrophobicContact CG1-CD2 3.75Å; V385-L433 HydrophobicContact CG2-CD1 4.29Å; L386-L433 HydrophobicContact CD1-CD2 4.36Å; L386-L433 HydrophobicContact CD2-CD2 3.78Å; L386-L433 HydrophobicContact CG-CD2 3.77Å; T429-L433 HydrophobicContact CG2-CD1 4.15Å; T429-L433 HydrophobicContact CG2-CG 4.49Å; T429-L433 VanDerWaalsContact O-CG 3.32Å; T429-L433 WeakPolarHBondContact O-CG 3.37Å; T429-L433 PolarHBondContact O-N 3.22Å; I430-L433 PolarHBondContact O-N 2.93Å; L433-T435 PolarHBondContact O-N 3.23Å; L433-S436 PolarHBondContact O-N 2.87Å; L433-C437 WeakPolarHBondContact O-CB 3.35Å; L433-C437 PolarHBondContact O-N 3.05Å; L433-C437 PolarHBondContact O-SG 2.88Å; L433-L447 HydrophobicContact CB-CD1 3.56Å; L433-L447 HydrophobicContact CD1-CD2 4.28Å |
| 434 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -36.4 | 174.3 | -79 | 169 | 0 | 0 | 0 | 112.1 | I430 E431 C437 L447 V448 F464 K503 M507 | I430-L434 HydrophobicContact CG2-CD1 4.06Å; I430-L434 WeakPolarHBondContact O-CB 3.28Å; I430-L434 WeakPolarHBondContact O-CG 2.92Å; I430-L434 PolarHBondContact O-N 3.46Å; E431-L434 PolarHBondContact O-N 3.25Å; L434-C437 PolarHBondContact O-SG 3.31Å; L434-L447 HydrophobicContact CD1-CB 4.24Å; L434-L447 HydrophobicContact CD2-CB 3.5Å; L434-L447 HydrophobicContact CD2-CD1 4.11Å; L434-L447 HydrophobicContact CD2-CG 4.48Å; L434-L447 HydrophobicContact CG-CB 3.7Å; L434-L447 HydrophobicContact CG-CD1 4.05Å; L434-V448 HydrophobicContact CD1-CG2 4.45Å; L434-V448 HydrophobicContact CD2-CG2 3.9Å; L434-F464 HydrophobicContact CB-CE1 3.8Å; L434-F464 HydrophobicContact CB-CZ 4.11Å; L434-F464 HydrophobicContact CD1-CD1 4.18Å; L434-F464 HydrophobicContact CD1-CE1 3.6Å; L434-F464 HydrophobicContact CD1-CZ 4.48Å; L434-F464 HydrophobicContact CG-CE1 4.34Å; L434-K503 VanDerWaalsContact O-CE 3.25Å; L434-K503 WeakPolarHBondContact O-CE 3.37Å; L434-K503 PolarHBondContact O-NZ 3.36Å; L434-M507 HydrophobicContact CB-CE 4.36Å; L434-M507 HydrophobicContact CD2-CE 4.33Å |
| 435 | T | 96.1 | Very high | 96.1 | Very high | 53 Ų | 53 | 28.9 Ų | 28.9 | 33% | 0.325 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67 | -39.4 | 174.6 | -53 | 0 | 0 | 0 | 0 | 111.1 | E431 H432 L433 K503 | E431-T435 WeakPolarHBondContact O-CB 3.4Å; E431-T435 PolarHBondContact O-N 3.08Å; E431-T435 PolarHBondContact O-OG1 3.3Å; H432-T435 WeakPolarHBondContact O-CB 3.47Å; H432-T435 PolarHBondContact O-N 3.45Å; L433-T435 PolarHBondContact O-N 3.23Å; T435-K503 PolarHBondContact O-NZ 3.26Å |
| 436 | S | 94.9 | Very high | 96.2 | Very high | 46 Ų | 46 | 29.6 Ų | 29.6 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -95.1 | -19.1 | -168.5 | -52.4 | 0 | 0 | 0 | 0 | 115.1 | M390 H432 L433 G438 | M390-S436 VanDerWaalsContact CE-O 3.23Å; M390-S436 WeakPolarHBondContact CE-O 3.3Å; H432-S436 PolarHBondContact CE1-OG 3.37Å; H432-S436 WeakPolarHBondContact O-CB 3.05Å; H432-S436 PolarHBondContact O-N 3.39Å; H432-S436 PolarHBondContact O-OG 3.49Å; L433-S436 PolarHBondContact O-N 2.87Å; S436-G438 PolarHBondContact O-N 3.41Å |
| 437 | C | 94.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | trans | -63.4 | -10.2 | -168.5 | 59.2 | 0 | 0 | 0 | 0 | 116.9 | L433 L434 L443 | L433-C437 WeakPolarHBondContact O-CB 3.35Å; L433-C437 PolarHBondContact O-N 3.05Å; L433-C437 PolarHBondContact O-SG 2.88Å; L434-C437 PolarHBondContact O-SG 3.31Å; C437-L443 HydrophobicContact CB-CD2 3.5Å; C437-L443 HydrophobicContact CB-CG 4.24Å | ||
| 438 | G | 91.1 | Very high | 96.3 | Very high | 35 Ų | 35 | 28 Ų | 28 | 36% | 0.361 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | -145.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112 | S436 D440 K503 | S436-G438 PolarHBondContact O-N 3.41Å; G438-D440 VanDerWaalsContact C-N 3.25Å; G438-D440 PolarHBondContact O-N 2.88Å; G438-K503 WeakPolarHBondContact O-CB 3.43Å; G438-K503 VanDerWaalsContact O-CG 3.27Å; G438-K503 WeakPolarHBondContact O-CG 3.47Å |
| 439 | A | 92.4 | Very high | 96.3 | Very high | 31 Ų | 31 | 28.3 Ų | 28.3 | 26% | 0.256 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 39.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N441 A499 E502 | A439-N441 PolarHBondContact O-N 3.28Å; A439-A499 HydrophobicContact CB-CB 4.08Å; A439-A499 WeakPolarHBondContact CB-O 3.38Å; A439-E502 HydrophobicContact CB-CB 4.14Å; A439-E502 HydrophobicContact CB-CG 4.06Å |
| 440 | D | 94.6 | Very high | 96.2 | Very high | 19 Ų | 19 | 27.7 Ų | 27.7 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | trans | -85.9 | 95.5 | 175.9 | -164.8 | -45.1 | 0 | 0 | 0 | 111.2 | H389 R398 G438 Y442 L443 I444 | H389-D440 IonicContact CE1-OD2 3.6Å; H389-D440 IonicContact NE2-OD2 3.97Å; H389-D440 PolarHBondContact NE2-OD2 2.73Å; R398-D440 IonicContact NH2-OD1 3.86Å; R398-D440 IonicContact NH2-OD2 2.62Å; G438-D440 VanDerWaalsContact C-N 3.25Å; G438-D440 PolarHBondContact O-N 2.88Å; D440-Y442 VanDerWaalsContact C-N 3.3Å; D440-Y442 PolarHBondContact O-N 3.3Å; D440-Y442 PolarHBondContact OD1-N 3.2Å; D440-L443 HydrophobicContact CB-CB 3.89Å; D440-L443 PolarHBondContact O-N 3.48Å; D440-L443 PolarHBondContact OD1-N 3.24Å; D440-I444 WeakPolarHBondContact O-CD1 3.38Å; D440-I444 WeakPolarHBondContact O-CG1 3.34Å; D440-I444 PolarHBondContact O-N 3.41Å | ||
| 441 | N | 92.7 | Very high | 96.1 | Very high | 42 Ų | 42 | 27.7 Ų | 27.7 | 23% | 0.225 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.3 | -39 | -178 | -62.3 | -25.2 | 0 | 0 | 0 | 113.6 | A439 N445 E502 C506 H546 | A439-N441 PolarHBondContact O-N 3.28Å; N441-N445 WeakPolarHBondContact O-CB 3.24Å; N441-N445 PolarHBondContact O-N 2.74Å; N441-N445 VanDerWaalsContact O-N 3.13Å; N441-E502 PolarHBondContact ND2-OE1 2.97Å; N441-E502 PolarHBondContact OD1-OE1 2.87Å; N441-C506 PolarHBondContact OD1-SG 2.75Å; N441-H546 PolarHBondContact ND2-CE1 3.1Å; N441-H546 VanDerWaalsContact ND2-CE1 3.27Å |
| 442 | Y | 95.3 | Very high | 96 | Very high | 53 Ų | 53 | 28.2 Ų | 28.2 | 21% | 0.208 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.6 | -47.2 | 179.9 | 175 | -94.9 | 0 | 0 | 0 | 110 | E402 V405 A406 D440 N445 K446 | E402-Y442 HydrophobicContact CB-CD1 4Å; E402-Y442 HydrophobicContact CB-CE1 3.58Å; E402-Y442 HydrophobicContact CB-CE2 4.28Å; E402-Y442 HydrophobicContact CB-CG 4.48Å; E402-Y442 HydrophobicContact CG-CD1 3.56Å; E402-Y442 HydrophobicContact CG-CD2 4.41Å; E402-Y442 HydrophobicContact CG-CE1 3.71Å; E402-Y442 HydrophobicContact CG-CG 3.92Å; E402-Y442 PolarHBondContact O-OH 3.05Å; V405-Y442 HydrophobicContact CB-CE1 4.38Å; V405-Y442 HydrophobicContact CG1-CE1 4.26Å; A406-Y442 WeakPolarHBondContact CB-OH 3.38Å; D440-Y442 VanDerWaalsContact C-N 3.3Å; D440-Y442 PolarHBondContact O-N 3.3Å; D440-Y442 PolarHBondContact OD1-N 3.2Å; Y442-N445 PolarHBondContact O-N 2.93Å; Y442-K446 HydrophobicContact CD1-CG 4.37Å; Y442-K446 HydrophobicContact CE1-CG 3.98Å; Y442-K446 HydrophobicContact CE2-CG 4.29Å; Y442-K446 WeakPolarHBondContact O-CG 3.37Å; Y442-K446 PolarHBondContact O-N 3.04Å |
| 443 | L | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | -179.1 | -172.6 | 61.7 | 0 | 0 | 0 | 111.6 | V385 M390 V405 C437 D440 N445 K446 L447 | V385-L443 HydrophobicContact CG1-CD1 4.07Å; V385-L443 HydrophobicContact CG1-CD2 3.42Å; V385-L443 VanDerWaalsContact CG1-CD2 3.42Å; V385-L443 HydrophobicContact CG1-CG 4.41Å; V385-L443 HydrophobicContact CG2-CD1 4.35Å; M390-L443 HydrophobicContact CG-CD2 4.39Å; M390-L443 HydrophobicContact SD-CD2 4.47Å; V405-L443 HydrophobicContact CG1-CD1 4.35Å; C437-L443 HydrophobicContact CB-CD2 3.5Å; C437-L443 HydrophobicContact CB-CG 4.24Å; D440-L443 HydrophobicContact CB-CB 3.89Å; D440-L443 PolarHBondContact O-N 3.48Å; D440-L443 PolarHBondContact OD1-N 3.24Å; L443-N445 PolarHBondContact O-N 3.44Å; L443-K446 PolarHBondContact O-N 3.24Å; L443-L447 HydrophobicContact CD1-CD1 3.75Å; L443-L447 HydrophobicContact CD1-CD2 4.14Å; L443-L447 HydrophobicContact CD1-CG 3.72Å; L443-L447 HydrophobicContact CD2-CD1 4.14Å; L443-L447 HydrophobicContact CG-CD1 3.56Å; L443-L447 HydrophobicContact CG-CG 3.94Å; L443-L447 WeakPolarHBondContact O-CB 3.37Å; L443-L447 VanDerWaalsContact O-CG 3.23Å; L443-L447 WeakPolarHBondContact O-CG 3.4Å; L443-L447 PolarHBondContact O-N 2.87Å |
| 444 | I | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.4 | -48.3 | 176.4 | -66.5 | 163.2 | 0 | 0 | 0 | 110.6 | D440 K446 L447 V448 K503 C506 M507 E510 | D440-I444 WeakPolarHBondContact O-CD1 3.38Å; D440-I444 WeakPolarHBondContact O-CG1 3.34Å; D440-I444 PolarHBondContact O-N 3.41Å; I444-K446 VanDerWaalsContact C-N 3.35Å; I444-K446 PolarHBondContact O-N 2.83Å; I444-L447 PolarHBondContact O-N 2.86Å; I444-V448 HydrophobicContact CG2-CG2 4.19Å; I444-V448 WeakPolarHBondContact O-CB 3.32Å; I444-V448 VanDerWaalsContact O-CG2 3.32Å; I444-V448 WeakPolarHBondContact O-CG2 3.46Å; I444-V448 PolarHBondContact O-N 3.3Å; I444-K503 HydrophobicContact CD1-CB 4.35Å; I444-K503 HydrophobicContact CD1-CG 4.03Å; I444-C506 HydrophobicContact CD1-CB 3.95Å; I444-C506 HydrophobicContact CG2-CB 4.16Å; I444-M507 HydrophobicContact CG2-CB 4.15Å; I444-E510 HydrophobicContact CG2-CG 4.37Å |
| 445 | N | 95.6 | Very high | 95.2 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -53.3 | -51 | 175.4 | 170.5 | -92.9 | 0 | 0 | 0 | 111.8 | N441 Y442 L443 C449 E510 | N441-N445 WeakPolarHBondContact O-CB 3.24Å; N441-N445 PolarHBondContact O-N 2.74Å; N441-N445 VanDerWaalsContact O-N 3.13Å; Y442-N445 PolarHBondContact O-N 2.93Å; L443-N445 PolarHBondContact O-N 3.44Å; N445-C449 PolarHBondContact O-N 3.48Å; N445-C449 PolarHBondContact O-SG 3.12Å; N445-E510 HydrophobicContact CB-CG 4.24Å; N445-E510 PolarHBondContact ND2-OE1 2.92Å; N445-E510 PolarHBondContact ND2-OE2 2.84Å |
| 446 | K | 97.5 | Very high | 94.9 | Very high | 70 Ų | 70 | 36.8 Ų | 36.8 | 30% | 0.304 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.9 | -47.8 | -179.1 | -66 | -55.6 | 179.3 | -167.1 | 0 | 112.4 | I409 Y442 L443 I444 C449 V450 | I409-K446 HydrophobicContact CD1-CB 3.73Å; I409-K446 HydrophobicContact CD1-CG 4.32Å; Y442-K446 HydrophobicContact CD1-CG 4.37Å; Y442-K446 HydrophobicContact CE1-CG 3.98Å; Y442-K446 HydrophobicContact CE2-CG 4.29Å; Y442-K446 WeakPolarHBondContact O-CG 3.37Å; Y442-K446 PolarHBondContact O-N 3.04Å; L443-K446 PolarHBondContact O-N 3.24Å; I444-K446 VanDerWaalsContact C-N 3.35Å; I444-K446 PolarHBondContact O-N 2.83Å; K446-C449 WeakPolarHBondContact O-CB 3.46Å; K446-C449 PolarHBondContact O-N 3.25Å; K446-V450 VanDerWaalsContact O-CG2 3.24Å; K446-V450 WeakPolarHBondContact O-CG2 3.27Å; K446-V450 PolarHBondContact O-N 3.11Å |
| 447 | L | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.8 | -37.4 | -173.9 | -67.8 | -179.2 | 0 | 0 | 0 | 112.9 | F381 I430 L433 L434 L443 I444 C449 V450 H451 | F381-L447 HydrophobicContact CE1-CD2 3.96Å; F381-L447 HydrophobicContact CZ-CD2 4.24Å; I430-L447 HydrophobicContact CD1-CD2 3.62Å; I430-L447 HydrophobicContact CG2-CB 4.14Å; I430-L447 HydrophobicContact CG2-CD2 4.27Å; I430-L447 WeakPolarHBondContact CG2-O 3.3Å; L433-L447 HydrophobicContact CB-CD1 3.56Å; L433-L447 HydrophobicContact CD1-CD2 4.28Å; L434-L447 HydrophobicContact CD1-CB 4.24Å; L434-L447 HydrophobicContact CD2-CB 3.5Å; L434-L447 HydrophobicContact CD2-CD1 4.11Å; L434-L447 HydrophobicContact CD2-CG 4.48Å; L434-L447 HydrophobicContact CG-CB 3.7Å; L434-L447 HydrophobicContact CG-CD1 4.05Å; L443-L447 HydrophobicContact CD1-CD1 3.75Å; L443-L447 HydrophobicContact CD1-CD2 4.14Å; L443-L447 HydrophobicContact CD1-CG 3.72Å; L443-L447 HydrophobicContact CD2-CD1 4.14Å; L443-L447 HydrophobicContact CG-CD1 3.56Å; L443-L447 HydrophobicContact CG-CG 3.94Å; L443-L447 WeakPolarHBondContact O-CB 3.37Å; L443-L447 VanDerWaalsContact O-CG 3.23Å; L443-L447 WeakPolarHBondContact O-CG 3.4Å; L443-L447 PolarHBondContact O-N 2.87Å; I444-L447 PolarHBondContact O-N 2.86Å; L447-C449 VanDerWaalsContact C-N 3.33Å; L447-V450 PolarHBondContact O-N 3.36Å; L447-H451 WeakPolarHBondContact O-CB 3.26Å; L447-H451 PolarHBondContact O-N 3.37Å |
| 448 | V | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.8 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | L434 I444 V450 H451 F452 T461 M507 E510 L514 | L434-V448 HydrophobicContact CD1-CG2 4.45Å; L434-V448 HydrophobicContact CD2-CG2 3.9Å; I444-V448 HydrophobicContact CG2-CG2 4.19Å; I444-V448 WeakPolarHBondContact O-CB 3.32Å; I444-V448 VanDerWaalsContact O-CG2 3.32Å; I444-V448 WeakPolarHBondContact O-CG2 3.46Å; I444-V448 PolarHBondContact O-N 3.3Å; V448-V450 PolarHBondContact O-N 3.45Å; V448-H451 PolarHBondContact O-N 2.88Å; V448-F452 PolarHBondContact O-N 3.03Å; V448-T461 HydrophobicContact CG1-CG2 4.31Å; V448-M507 HydrophobicContact CG2-CG 4.39Å; V448-E510 HydrophobicContact CB-CB 4.11Å; V448-E510 HydrophobicContact CG1-CB 4Å; V448-E510 HydrophobicContact CG2-CB 4.31Å; V448-L514 HydrophobicContact CG1-CD1 3.83Å |
| 449 | C | 96 | Very high | 94.6 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 26% | 0.264 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 174.9 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | N445 K446 L447 F452 Q453 | N445-C449 PolarHBondContact O-N 3.48Å; N445-C449 PolarHBondContact O-SG 3.12Å; K446-C449 WeakPolarHBondContact O-CB 3.46Å; K446-C449 PolarHBondContact O-N 3.25Å; L447-C449 VanDerWaalsContact C-N 3.33Å; C449-F452 PolarHBondContact O-N 2.96Å; C449-Q453 WeakPolarHBondContact O-CB 3.46Å; C449-Q453 WeakPolarHBondContact O-CG 3.26Å; C449-Q453 PolarHBondContact O-N 2.93Å |
| 450 | V | 96.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | I409 F413 I430 K446 L447 V448 F452 Q453 L454 | I409-V450 HydrophobicContact CB-CG2 4.41Å; I409-V450 HydrophobicContact CD1-CG2 3.9Å; I409-V450 HydrophobicContact CG1-CG2 3.99Å; I409-V450 HydrophobicContact CG2-CG2 3.53Å; F413-V450 HydrophobicContact CE2-CG1 4.29Å; F413-V450 HydrophobicContact CE2-CG2 4.11Å; F413-V450 HydrophobicContact CZ-CB 4.46Å; F413-V450 HydrophobicContact CZ-CG1 4.02Å; F413-V450 HydrophobicContact CZ-CG2 4.49Å; I430-V450 HydrophobicContact CD1-CB 4.43Å; I430-V450 HydrophobicContact CD1-CG1 3.75Å; I430-V450 HydrophobicContact CG1-CG1 3.9Å; K446-V450 VanDerWaalsContact O-CG2 3.24Å; K446-V450 WeakPolarHBondContact O-CG2 3.27Å; K446-V450 PolarHBondContact O-N 3.11Å; L447-V450 PolarHBondContact O-N 3.36Å; V448-V450 PolarHBondContact O-N 3.45Å; V450-F452 VanDerWaalsContact C-N 3.31Å; V450-F452 PolarHBondContact O-N 3.36Å; V450-Q453 PolarHBondContact O-N 3.42Å; V450-L454 HydrophobicContact CG1-CD1 3.79Å; V450-L454 HydrophobicContact CG1-CG 4.1Å; V450-L454 WeakPolarHBondContact O-CB 3.35Å; V450-L454 VanDerWaalsContact O-CG 3.28Å; V450-L454 WeakPolarHBondContact O-CG 3.3Å; V450-L454 PolarHBondContact O-N 2.85Å |
| 451 | H | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.8 | -46.2 | 177.3 | -175.3 | -79.2 | 0 | 0 | 0 | 111.4 | I430 E431 L447 V448 L454 T455 T461 | I430-H451 HydrophobicContact CG2-CB 4.02Å; E431-H451 IonicContact OE1-NE2 2.86Å; E431-H451 PolarHBondContact OE1-NE2 3.25Å; L447-H451 WeakPolarHBondContact O-CB 3.26Å; L447-H451 PolarHBondContact O-N 3.37Å; V448-H451 PolarHBondContact O-N 2.88Å; H451-L454 PolarHBondContact O-N 2.62Å; H451-T455 WeakPolarHBondContact O-CG2 3.09Å; H451-T455 PolarHBondContact O-N 3Å; H451-T455 PolarHBondContact O-OG1 3.39Å; H451-T461 WeakPolarHBondContact ND1-CA 3.33Å; H451-T461 WeakPolarHBondContact ND1-CB 3.26Å; H451-T461 PolarHBondContact ND1-OG1 3.36Å |
| 452 | F | 95 | Very high | 94.9 | Very high | 64 Ų | 64 | 39.2 Ų | 39.2 | 28% | 0.281 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 176 | 178.9 | -115 | 0 | 0 | 0 | 112.8 | V448 C449 V450 L454 T455 K456 F458 T461 L514 | V448-F452 PolarHBondContact O-N 3.03Å; C449-F452 PolarHBondContact O-N 2.96Å; V450-F452 VanDerWaalsContact C-N 3.31Å; V450-F452 PolarHBondContact O-N 3.36Å; F452-L454 PolarHBondContact O-N 3.29Å; F452-T455 PolarHBondContact O-OG1 3.38Å; F452-K456 VanDerWaalsContact O-CA 3.29Å; F452-K456 WeakPolarHBondContact O-CA 3.2Å; F452-K456 PolarHBondContact O-N 2.82Å; F452-F458 HydrophobicContact CE2-CB 3.96Å; F452-T461 VanDerWaalsContact CA-OG1 3.29Å; F452-T461 WeakPolarHBondContact CA-OG1 3.36Å; F452-T461 HydrophobicContact CB-CG2 4.21Å; F452-L514 HydrophobicContact CB-CD1 3.69Å; F452-L514 HydrophobicContact CD1-CD1 4.3Å; F452-L514 HydrophobicContact CD1-CD2 3.91Å; F452-L514 HydrophobicContact CD2-CD1 4.35Å; F452-L514 HydrophobicContact CE1-CD2 4.39Å; F452-L514 HydrophobicContact CG-CD1 3.87Å; F452-L514 HydrophobicContact CG-CD2 4.33Å |
| 453 | Q | 92.7 | Very high | 94.9 | Very high | 103 Ų | 103 | 41.1 Ų | 41.1 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.1 | -33.6 | 178.7 | -73.5 | 176.4 | -11.2 | 0 | 0 | 113.1 | F413 C449 V450 K456 | F413-Q453 HydrophobicContact CE1-CB 3.73Å; F413-Q453 HydrophobicContact CE2-CB 4.47Å; F413-Q453 HydrophobicContact CZ-CB 3.52Å; F413-Q453 HydrophobicContact CZ-CG 4.43Å; C449-Q453 WeakPolarHBondContact O-CB 3.46Å; C449-Q453 WeakPolarHBondContact O-CG 3.26Å; C449-Q453 PolarHBondContact O-N 2.93Å; V450-Q453 PolarHBondContact O-N 3.42Å; Q453-K456 WeakPolarHBondContact O-CG 3.48Å |
| 454 | L | 93.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.4 | -47.1 | 176.8 | -72.7 | 175.9 | 0 | 0 | 0 | 112.1 | F413 L417 L426 I430 V450 H451 F452 | F413-L454 HydrophobicContact CE1-CD2 4.04Å; F413-L454 HydrophobicContact CE1-CG 4.38Å; F413-L454 HydrophobicContact CZ-CD2 4.47Å; F413-L454 HydrophobicContact CZ-CG 4.43Å; L417-L454 HydrophobicContact CD1-CD2 3.65Å; L426-L454 HydrophobicContact CB-CD1 3.96Å; L426-L454 HydrophobicContact CD1-CD2 4.41Å; I430-L454 HydrophobicContact CG1-CD1 4.03Å; V450-L454 HydrophobicContact CG1-CD1 3.79Å; V450-L454 HydrophobicContact CG1-CG 4.1Å; V450-L454 WeakPolarHBondContact O-CB 3.35Å; V450-L454 VanDerWaalsContact O-CG 3.28Å; V450-L454 WeakPolarHBondContact O-CG 3.3Å; V450-L454 PolarHBondContact O-N 2.85Å; H451-L454 PolarHBondContact O-N 2.62Å; F452-L454 PolarHBondContact O-N 3.29Å |
| 455 | T | 92.3 | Very high | 94.9 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 16% | 0.16 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -75.4 | -30.5 | -179.8 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | K427 H451 F452 S457 E460 T461 | K427-T455 HydrophobicContact CD-CG2 4.01Å; H451-T455 WeakPolarHBondContact O-CG2 3.09Å; H451-T455 PolarHBondContact O-N 3Å; H451-T455 PolarHBondContact O-OG1 3.39Å; F452-T455 PolarHBondContact O-OG1 3.38Å; T455-S457 PolarHBondContact O-N 3.17Å; T455-S457 VanDerWaalsContact O-N 3.15Å; T455-S457 PolarHBondContact OG1-N 3.35Å; T455-S457 PolarHBondContact OG1-O 3.09Å; T455-E460 HydrophobicContact CG2-CB 4.18Å; T455-T461 PolarHBondContact OG1-OG1 3.24Å |
| 456 | K | 88.9 | Confident | 94.9 | Very high | 180 Ų | 180 | 40.7 Ų | 40.7 | 78% | 0.783 | 20% | 0.201 | S | C | * | . | trans | 53 | 25.7 | -169.3 | -55 | -178.2 | -179.6 | 179 | 0 | 112.4 | F452 Q453 | F452-K456 VanDerWaalsContact O-CA 3.29Å; F452-K456 WeakPolarHBondContact O-CA 3.2Å; F452-K456 PolarHBondContact O-N 2.82Å; Q453-K456 WeakPolarHBondContact O-CG 3.48Å | ||
| 457 | S | 91.2 | Very high | 94.9 | Very high | 31 Ų | 31 | 42.3 Ų | 42.3 | 22% | 0.217 | 21% | 0.213 | C | C | . | . | trans | -134.3 | 116.4 | -175.2 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | T455 D459 E460 T461 | T455-S457 PolarHBondContact O-N 3.17Å; T455-S457 VanDerWaalsContact O-N 3.15Å; T455-S457 PolarHBondContact OG1-N 3.35Å; T455-S457 PolarHBondContact OG1-O 3.09Å; S457-D459 VanDerWaalsContact C-N 3.29Å; S457-E460 PolarHBondContact OG-N 3.19Å; S457-T461 PolarHBondContact O-N 3.32Å; S457-T461 PolarHBondContact O-OG1 3.42Å; S457-T461 VanDerWaalsContact O-OG1 3.12Å | ||
| 458 | F | 91.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -43 | 173.3 | 177.5 | -92.4 | 0 | 0 | 0 | 109.8 | F452 E460 T461 S462 L511 L514 T515 V518 M524 | F452-F458 HydrophobicContact CE2-CB 3.96Å; F458-E460 PolarHBondContact O-N 2.99Å; F458-T461 PolarHBondContact O-N 3.33Å; F458-T461 VanDerWaalsContact O-N 3.16Å; F458-S462 VanDerWaalsContact O-CB 3.3Å; F458-S462 WeakPolarHBondContact O-CB 3.42Å; F458-S462 PolarHBondContact O-N 3.28Å; F458-S462 PolarHBondContact O-OG 2.89Å; F458-L511 HydrophobicContact CE2-CD1 3.81Å; F458-L511 HydrophobicContact CZ-CD1 3.96Å; F458-L511 HydrophobicContact CZ-CG 4.45Å; F458-L514 HydrophobicContact CD2-CB 4.17Å; F458-L514 HydrophobicContact CE2-CB 4.11Å; F458-T515 HydrophobicContact CE2-CG2 3.7Å; F458-T515 HydrophobicContact CZ-CG2 3.58Å; F458-V518 HydrophobicContact CB-CG2 4.41Å; F458-V518 HydrophobicContact CD1-CB 4.44Å; F458-V518 HydrophobicContact CD1-CG1 3.64Å; F458-V518 HydrophobicContact CE1-CG1 3.88Å; F458-V518 HydrophobicContact CG-CG1 4.17Å; F458-V518 HydrophobicContact CG-CG2 4.28Å; F458-M524 HydrophobicContact CE1-SD 4.27Å; F458-M524 HydrophobicContact CZ-CE 3.89Å; F458-M524 HydrophobicContact CZ-SD 4.05Å |
| 459 | D | 92.6 | Very high | 94.7 | Very high | 100 Ų | 100 | 42.8 Ų | 42.8 | 54% | 0.535 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.6 | -49.8 | -178.5 | -63.8 | -21.4 | 0 | 0 | 0 | 111.2 | S457 T461 S462 D463 | S457-D459 VanDerWaalsContact C-N 3.29Å; D459-T461 VanDerWaalsContact C-N 3.34Å; D459-T461 PolarHBondContact O-N 3.25Å; D459-S462 WeakPolarHBondContact CA-OG 3.45Å; D459-S462 PolarHBondContact O-N 3.04Å; D459-S462 PolarHBondContact O-OG 3.17Å; D459-D463 WeakPolarHBondContact O-CB 3.49Å; D459-D463 VanDerWaalsContact O-CG 3.26Å; D459-D463 PolarHBondContact O-N 3.3Å |
| 460 | E | 94.3 | Very high | 94.6 | Very high | 81 Ų | 81 | 43 Ų | 43 | 38% | 0.379 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.8 | -39.3 | 178.8 | -72.2 | -172 | -138.1 | 0 | 0 | 113 | K427 T455 S457 F458 F464 | K427-E460 IonicContact NZ-OE2 3.85Å; K427-E460 PolarHBondContact NZ-OE2 3.32Å; T455-E460 HydrophobicContact CG2-CB 4.18Å; S457-E460 PolarHBondContact OG-N 3.19Å; F458-E460 PolarHBondContact O-N 2.99Å; E460-F464 PolarHBondContact O-N 3.34Å |
| 461 | T | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.1 | -42.1 | 177.9 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | V448 H451 F452 T455 S457 F458 D459 F464 C465 L514 | V448-T461 HydrophobicContact CG1-CG2 4.31Å; H451-T461 WeakPolarHBondContact ND1-CA 3.33Å; H451-T461 WeakPolarHBondContact ND1-CB 3.26Å; H451-T461 PolarHBondContact ND1-OG1 3.36Å; F452-T461 VanDerWaalsContact CA-OG1 3.29Å; F452-T461 WeakPolarHBondContact CA-OG1 3.36Å; F452-T461 HydrophobicContact CB-CG2 4.21Å; T455-T461 PolarHBondContact OG1-OG1 3.24Å; S457-T461 PolarHBondContact O-N 3.32Å; S457-T461 PolarHBondContact O-OG1 3.42Å; S457-T461 VanDerWaalsContact O-OG1 3.12Å; F458-T461 PolarHBondContact O-N 3.33Å; F458-T461 VanDerWaalsContact O-N 3.16Å; D459-T461 VanDerWaalsContact C-N 3.34Å; D459-T461 PolarHBondContact O-N 3.25Å; T461-F464 PolarHBondContact O-N 3.29Å; T461-C465 WeakPolarHBondContact O-CB 3.37Å; T461-C465 PolarHBondContact O-N 3.44Å; T461-C465 PolarHBondContact O-SG 2.87Å; T461-L514 HydrophobicContact CG2-CD1 4.23Å |
| 462 | S | 95 | Very high | 94.3 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 176 | 78.9 | 0 | 0 | 0 | 0 | 110.9 | F458 D459 F464 C465 L466 | F458-S462 VanDerWaalsContact O-CB 3.3Å; F458-S462 WeakPolarHBondContact O-CB 3.42Å; F458-S462 PolarHBondContact O-N 3.28Å; F458-S462 PolarHBondContact O-OG 2.89Å; D459-S462 WeakPolarHBondContact CA-OG 3.45Å; D459-S462 PolarHBondContact O-N 3.04Å; D459-S462 PolarHBondContact O-OG 3.17Å; S462-F464 VanDerWaalsContact C-N 3.34Å; S462-F464 PolarHBondContact O-N 3.5Å; S462-C465 PolarHBondContact O-N 2.93Å; S462-L466 WeakPolarHBondContact O-CB 3.48Å; S462-L466 WeakPolarHBondContact O-CD1 3.34Å; S462-L466 WeakPolarHBondContact O-CG 3.36Å; S462-L466 PolarHBondContact O-N 3.01Å |
| 463 | D | 95.8 | Very high | 94.2 | Very high | 93 Ų | 93 | 52.3 Ų | 52.3 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 178.7 | -77.3 | -17.3 | 0 | 0 | 0 | 110.6 | D459 N467 | D459-D463 WeakPolarHBondContact O-CB 3.49Å; D459-D463 VanDerWaalsContact O-CG 3.26Å; D459-D463 PolarHBondContact O-N 3.3Å; D463-N467 WeakPolarHBondContact O-CB 3.29Å; D463-N467 PolarHBondContact O-N 2.72Å; D463-N467 PolarHBondContact O-ND2 2.85Å |
| 464 | F | 97.3 | Very high | 93.9 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -55.8 | 176.4 | 176.4 | -95.8 | 0 | 0 | 0 | 111.8 | E431 L434 E460 T461 S462 L466 N467 E468 | E431-F464 HydrophobicContact CB-CD2 4.19Å; E431-F464 HydrophobicContact CB-CE2 3.48Å; E431-F464 VanDerWaalsContact CB-CE2 3.48Å; E431-F464 HydrophobicContact CB-CZ 3.7Å; E431-F464 HydrophobicContact CG-CD2 3.6Å; E431-F464 HydrophobicContact CG-CE1 4.37Å; E431-F464 HydrophobicContact CG-CE2 3.43Å; E431-F464 VanDerWaalsContact CG-CE2 3.43Å; E431-F464 HydrophobicContact CG-CG 4.16Å; E431-F464 HydrophobicContact CG-CZ 3.85Å; L434-F464 HydrophobicContact CB-CE1 3.8Å; L434-F464 HydrophobicContact CB-CZ 4.11Å; L434-F464 HydrophobicContact CD1-CD1 4.18Å; L434-F464 HydrophobicContact CD1-CE1 3.6Å; L434-F464 HydrophobicContact CD1-CZ 4.48Å; L434-F464 HydrophobicContact CG-CE1 4.34Å; E460-F464 PolarHBondContact O-N 3.34Å; T461-F464 PolarHBondContact O-N 3.29Å; S462-F464 VanDerWaalsContact C-N 3.34Å; S462-F464 PolarHBondContact O-N 3.5Å; F464-L466 PolarHBondContact O-N 2.9Å; F464-N467 PolarHBondContact O-N 2.61Å; F464-E468 WeakPolarHBondContact O-CB 3.31Å; F464-E468 PolarHBondContact O-N 3.05Å |
| 465 | C | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | -176.3 | -72.9 | 0 | 0 | 0 | 0 | 112.1 | T461 S462 E468 I469 M507 L511 | T461-C465 WeakPolarHBondContact O-CB 3.37Å; T461-C465 PolarHBondContact O-N 3.44Å; T461-C465 PolarHBondContact O-SG 2.87Å; S462-C465 PolarHBondContact O-N 2.93Å; C465-E468 PolarHBondContact O-N 3.19Å; C465-I469 WeakPolarHBondContact O-CD1 3.41Å; C465-I469 VanDerWaalsContact O-CG1 3.24Å; C465-I469 WeakPolarHBondContact O-CG1 3.47Å; C465-I469 PolarHBondContact O-N 2.77Å; C465-M507 HydrophobicContact CB-CG 3.85Å; C465-M507 HydrophobicContact CB-SD 3.91Å; C465-L511 HydrophobicContact CB-CD2 4.13Å |
| 466 | L | 97 | Very high | 92.6 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 179.5 | -63.8 | 172.6 | 0 | 0 | 0 | 111.3 | S462 F464 I469 M470 L508 L511 L523 M524 L527 | S462-L466 WeakPolarHBondContact O-CB 3.48Å; S462-L466 WeakPolarHBondContact O-CD1 3.34Å; S462-L466 WeakPolarHBondContact O-CG 3.36Å; S462-L466 PolarHBondContact O-N 3.01Å; F464-L466 PolarHBondContact O-N 2.9Å; L466-I469 PolarHBondContact O-N 2.84Å; L466-M470 WeakPolarHBondContact O-CB 3.42Å; L466-M470 VanDerWaalsContact O-CG 3.29Å; L466-M470 WeakPolarHBondContact O-CG 3.26Å; L466-M470 PolarHBondContact O-N 2.96Å; L466-L508 HydrophobicContact CD2-CD1 4.39Å; L466-L511 HydrophobicContact CD2-CD2 3.91Å; L466-L511 HydrophobicContact CG-CD2 3.94Å; L466-L523 HydrophobicContact CB-CD2 3.83Å; L466-L523 HydrophobicContact CD1-CB 4.44Å; L466-L523 HydrophobicContact CD1-CD2 4.14Å; L466-L523 HydrophobicContact CD1-CG 4.38Å; L466-L523 HydrophobicContact CD2-CG 4.44Å; L466-L523 HydrophobicContact CG-CD2 4.41Å; L466-M524 HydrophobicContact CD1-CG 3.84Å; L466-M524 HydrophobicContact CD2-CG 3.9Å; L466-M524 HydrophobicContact CG-CG 4.44Å; L466-L527 HydrophobicContact CD2-CD1 3.32Å |
| 467 | N | 95.9 | Very high | 91.8 | Very high | 104 Ų | 104 | 54.1 Ų | 54.1 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.9 | -41.3 | 175.1 | -76 | -38.1 | 0 | 0 | 0 | 111.8 | D463 F464 I469 M470 R471 | D463-N467 WeakPolarHBondContact O-CB 3.29Å; D463-N467 PolarHBondContact O-N 2.72Å; D463-N467 PolarHBondContact O-ND2 2.85Å; F464-N467 PolarHBondContact O-N 2.61Å; N467-I469 VanDerWaalsContact C-N 3.33Å; N467-I469 PolarHBondContact O-N 3.3Å; N467-M470 PolarHBondContact O-N 2.9Å; N467-R471 WeakPolarHBondContact O-CB 3.5Å; N467-R471 PolarHBondContact O-N 2.98Å |
| 468 | E | 95.7 | Very high | 91 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.2 | -37 | 177.1 | 177.9 | 58.7 | -169.9 | 0 | 0 | 112 | F464 C465 K503 M507 | F464-E468 WeakPolarHBondContact O-CB 3.31Å; F464-E468 PolarHBondContact O-N 3.05Å; C465-E468 PolarHBondContact O-N 3.19Å; E468-K503 IonicContact OE1-NZ 3.03Å; E468-K503 PolarHBondContact OE1-NZ 3.06Å; E468-M507 HydrophobicContact CB-SD 4.17Å; E468-M507 HydrophobicContact CG-CE 4.01Å; E468-M507 HydrophobicContact CG-SD 4.12Å |
| 469 | I | 96.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -54.7 | 172.2 | -68.6 | 163.3 | 0 | 0 | 0 | 110.5 | C465 L466 N467 R471 Q472 F473 L504 M507 L508 L527 L531 | C465-I469 WeakPolarHBondContact O-CD1 3.41Å; C465-I469 VanDerWaalsContact O-CG1 3.24Å; C465-I469 WeakPolarHBondContact O-CG1 3.47Å; C465-I469 PolarHBondContact O-N 2.77Å; L466-I469 PolarHBondContact O-N 2.84Å; N467-I469 VanDerWaalsContact C-N 3.33Å; N467-I469 PolarHBondContact O-N 3.3Å; I469-R471 PolarHBondContact O-N 3.49Å; I469-Q472 WeakPolarHBondContact O-CB 3.42Å; I469-Q472 PolarHBondContact O-N 2.58Å; I469-Q472 VanDerWaalsContact O-N 3.09Å; I469-F473 HydrophobicContact CG2-CE2 4.16Å; I469-F473 WeakPolarHBondContact O-CD2 3.39Å; I469-L504 HydrophobicContact CG1-CB 4.38Å; I469-L504 HydrophobicContact CG1-CD2 4.09Å; I469-L504 HydrophobicContact CG2-CD1 4.45Å; I469-M507 HydrophobicContact CG1-SD 4.36Å; I469-L508 HydrophobicContact CD1-CB 3.96Å; I469-L508 HydrophobicContact CD1-CD1 4.29Å; I469-L527 HydrophobicContact CD1-CD1 4.26Å; I469-L527 HydrophobicContact CG2-CD1 4.29Å; I469-L527 HydrophobicContact CG2-CD2 3.8Å; I469-L531 HydrophobicContact CG2-CD2 4.06Å |
| 470 | M | 95.1 | Very high | 89.6 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 21% | 0.212 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.5 | -25.2 | -175.2 | -69.6 | -52.9 | -59.1 | 0 | 0 | 112.9 | L466 N467 Q472 F473 Y489 L523 L527 I530 | L466-M470 WeakPolarHBondContact O-CB 3.42Å; L466-M470 VanDerWaalsContact O-CG 3.29Å; L466-M470 WeakPolarHBondContact O-CG 3.26Å; L466-M470 PolarHBondContact O-N 2.96Å; N467-M470 PolarHBondContact O-N 2.9Å; M470-Q472 PolarHBondContact O-N 2.68Å; M470-F473 HydrophobicContact CE-CB 4.41Å; M470-F473 HydrophobicContact CE-CD2 4.5Å; M470-F473 HydrophobicContact CE-CG 4.45Å; M470-F473 PolarHBondContact O-N 3.47Å; M470-F473 HydrophobicContact SD-CD2 4.27Å; M470-Y489 HydrophobicContact CE-CE2 4.07Å; M470-L523 HydrophobicContact CG-CD1 4.18Å; M470-L523 HydrophobicContact CG-CD2 4.13Å; M470-L523 HydrophobicContact SD-CD1 4.05Å; M470-L527 HydrophobicContact SD-CD2 3.91Å; M470-I530 HydrophobicContact CE-CD1 4.12Å; M470-I530 HydrophobicContact SD-CD1 4.02Å |
| 471 | R | 93.3 | Very high | 89.2 | Confident | 185 Ų | 185 | 65.3 Ų | 65.3 | 70% | 0.698 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.6 | 173.9 | -174.6 | 176.4 | -173.9 | -175.7 | 3.1 | 113.4 | N467 I469 F473 | N467-R471 WeakPolarHBondContact O-CB 3.5Å; N467-R471 PolarHBondContact O-N 2.98Å; I469-R471 PolarHBondContact O-N 3.49Å; R471-F473 VanDerWaalsContact C-N 3.35Å |
| 472 | Q | 93.6 | Very high | 88.7 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 29% | 0.285 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -16.9 | 177 | -52 | -54.6 | -35.3 | 0 | 0 | 112.8 | I469 M470 F492 L500 L504 | I469-Q472 WeakPolarHBondContact O-CB 3.42Å; I469-Q472 PolarHBondContact O-N 2.58Å; I469-Q472 VanDerWaalsContact O-N 3.09Å; M470-Q472 PolarHBondContact O-N 2.68Å; Q472-F492 VanDerWaalsContact O-CE1 3.28Å; Q472-F492 WeakPolarHBondContact O-CE1 3.42Å; Q472-F492 WeakPolarHBondContact O-CZ 3.08Å; Q472-L500 HydrophobicContact CB-CD2 4.5Å; Q472-L500 HydrophobicContact CG-CD1 4.19Å; Q472-L504 HydrophobicContact CB-CD1 4.04Å; Q472-L504 HydrophobicContact CG-CD1 3.9Å; Q472-L504 HydrophobicContact CG-CD2 4.03Å; Q472-L504 HydrophobicContact CG-CG 4.5Å |
| 473 | F | 92.3 | Very high | 88.3 | Confident | 17 Ų | 17 | 77.1 Ų | 77.1 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -83.2 | 152.5 | -178.6 | -76.7 | -99 | 0 | 0 | 0 | 111.9 | I469 M470 R471 Y489 F492 A493 L531 | I469-F473 HydrophobicContact CG2-CE2 4.16Å; I469-F473 WeakPolarHBondContact O-CD2 3.39Å; M470-F473 HydrophobicContact CE-CB 4.41Å; M470-F473 HydrophobicContact CE-CD2 4.5Å; M470-F473 HydrophobicContact CE-CG 4.45Å; M470-F473 PolarHBondContact O-N 3.47Å; M470-F473 HydrophobicContact SD-CD2 4.27Å; R471-F473 VanDerWaalsContact C-N 3.35Å; F473-Y489 HydrophobicContact CB-CD1 4.41Å; F473-Y489 HydrophobicContact CB-CE1 4.18Å; F473-Y489 AromaticContact CD1-CD1 3.88Å; F473-Y489 HydrophobicContact CD1-CD1 3.88Å; F473-Y489 HydrophobicContact CD1-CD2 4.19Å; F473-Y489 HydrophobicContact CD1-CE1 4.47Å; F473-Y489 AromaticContact CD1-CG 3.7Å; F473-Y489 HydrophobicContact CD1-CG 3.7Å; F473-Y489 HydrophobicContact CE1-CG 4.29Å; F473-F492 AromaticContact CD1-CD1 3.76Å; F473-F492 HydrophobicContact CD1-CD1 3.76Å; F473-F492 HydrophobicContact CD1-CE1 4.25Å; F473-F492 HydrophobicContact CE1-CD1 4Å; F473-F492 HydrophobicContact CG-CD1 4.33Å; F473-F492 HydrophobicContact CG-CE1 4.38Å; F473-A493 HydrophobicContact CE1-CB 4.25Å; F473-A493 HydrophobicContact CZ-CB 4.36Å; F473-L531 HydrophobicContact CE2-CD1 4.16Å; F473-L531 HydrophobicContact CZ-CB 4.32Å; F473-L531 HydrophobicContact CZ-CD1 3.83Å |
| 474 | P | 87.8 | Confident | 87.8 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 29% | 0.292 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 156.1 | 173 | -23.9 | 33.5 | 0 | 0 | 0 | 113.1 | S476 Y489 F492 | P474-S476 PolarHBondContact O-N 3.23Å; P474-Y489 HydrophobicContact CB-CE1 4.3Å; P474-Y489 VanDerWaalsContact O-CE1 3.23Å; P474-Y489 WeakPolarHBondContact O-CE1 3.23Å; P474-Y489 PolarHBondContact O-OH 2.91Å; P474-F492 HydrophobicContact CG-CB 4.45Å; P474-F492 HydrophobicContact CG-CD2 4.03Å; P474-F492 HydrophobicContact CG-CE2 4.44Å; P474-F492 HydrophobicContact CG-CG 4.08Å |
| 475 | S | 83.3 | Confident | 87.4 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 134.6 | -176.8 | 83.8 | 0 | 0 | 0 | 0 | 111.9 | E477 E478 | S475-E477 PolarHBondContact O-N 3.27Å; S475-E478 PolarHBondContact OG-OE1 3.21Å |
| 476 | S | 75.2 | Confident | 87 | Confident | 70 Ų | 70 | 77 Ų | 77 | 49% | 0.49 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -65.6 | -19.7 | -178.2 | 63.6 | 0 | 0 | 0 | 0 | 114.3 | P474 E478 M485 | P474-S476 PolarHBondContact O-N 3.23Å; S476-E478 PolarHBondContact O-N 3.33Å; S476-M485 VanDerWaalsContact CB-SD 3.54Å |
| 477 | E | 72.7 | Confident | 86.7 | Confident | 183 Ų | 183 | 79.2 Ų | 79.2 | 86% | 0.855 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -72.1 | -10.8 | -174.2 | -62.7 | -174.7 | 172.7 | 0 | 0 | 113.5 | S475 H479 | S475-E477 PolarHBondContact O-N 3.27Å; E477-H479 VanDerWaalsContact C-N 3.35Å; E477-H479 PolarHBondContact O-N 3.35Å |
| 478 | E | 72.8 | Confident | 86.4 | Confident | 140 Ų | 140 | 75.6 Ų | 75.6 | 65% | 0.654 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -84 | -4.1 | -175.2 | -70 | 172.3 | -144.7 | 0 | 0 | 114.1 | S475 S476 | S475-E478 PolarHBondContact OG-OE1 3.21Å; S476-E478 PolarHBondContact O-N 3.33Å |
| 479 | H | 76.1 | Confident | 86.3 | Confident | 58 Ų | 58 | 75.7 Ų | 75.7 | 27% | 0.269 | 40% | 0.396 | S | S | . | . | trans | -120 | 134.5 | -168.9 | -59.2 | -64.2 | 0 | 0 | 0 | 114.2 | E477 S481 M485 A488 | E477-H479 VanDerWaalsContact C-N 3.35Å; E477-H479 PolarHBondContact O-N 3.35Å; H479-S481 VanDerWaalsContact C-N 3.31Å; H479-S481 PolarHBondContact O-N 2.95Å; H479-M485 HydrophobicContact CB-CB 3.8Å; H479-A488 WeakPolarHBondContact CE1-CB 3.47Å | ||
| 480 | E | 79 | Confident | 86.2 | Confident | 204 Ų | 204 | 78.6 Ų | 78.6 | 95% | 0.953 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -71.5 | -19.4 | -175.7 | -61.1 | -177.3 | 168.9 | 0 | 0 | 114.3 | ||
| 481 | S | 87.1 | Confident | 86.1 | Confident | 62 Ų | 62 | 81.5 Ų | 81.5 | 43% | 0.434 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -152 | 158.1 | 179.9 | 69.5 | 0 | 0 | 0 | 0 | 112 | H479 N483 A484 M485 | H479-S481 VanDerWaalsContact C-N 3.31Å; H479-S481 PolarHBondContact O-N 2.95Å; S481-N483 VanDerWaalsContact C-N 3.31Å; S481-N483 PolarHBondContact O-N 2.89Å; S481-A484 PolarHBondContact O-N 3.19Å; S481-A484 VanDerWaalsContact O-N 3.16Å; S481-A484 WeakPolarHBondContact OG-CB 3.35Å; S481-A484 PolarHBondContact OG-N 3.18Å; S481-M485 PolarHBondContact O-N 2.64Å |
| 482 | Q | 83.2 | Confident | 86.2 | Confident | 123 Ų | 123 | 75.7 Ų | 75.7 | 58% | 0.575 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.1 | -41.1 | 177 | -176.4 | 175.2 | -12.4 | 0 | 0 | 112.4 | A484 M485 E486 | Q482-A484 VanDerWaalsContact C-N 3.34Å; Q482-A484 PolarHBondContact O-N 3.38Å; Q482-M485 HydrophobicContact CG-CE 4.29Å; Q482-M485 WeakPolarHBondContact O-CB 3.36Å; Q482-M485 PolarHBondContact O-N 2.97Å; Q482-E486 HydrophobicContact CG-CG 4.47Å; Q482-E486 PolarHBondContact NE2-OE1 3.45Å; Q482-E486 WeakPolarHBondContact O-CG 3.01Å; Q482-E486 PolarHBondContact O-N 2.88Å |
| 483 | N | 86.5 | Confident | 86.3 | Confident | 126 Ų | 126 | 72.8 Ų | 72.8 | 67% | 0.674 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.4 | -37.1 | 178.1 | -66.8 | -3.5 | 0 | 0 | 0 | 112.2 | S481 A487 | S481-N483 VanDerWaalsContact C-N 3.31Å; S481-N483 PolarHBondContact O-N 2.89Å; N483-A487 WeakPolarHBondContact O-CB 3.49Å; N483-A487 PolarHBondContact O-N 3.4Å |
| 484 | A | 87.2 | Confident | 86.4 | Confident | 41 Ų | 41 | 75.6 Ų | 75.6 | 34% | 0.339 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S481 Q482 A488 | S481-A484 PolarHBondContact O-N 3.19Å; S481-A484 VanDerWaalsContact O-N 3.16Å; S481-A484 WeakPolarHBondContact OG-CB 3.35Å; S481-A484 PolarHBondContact OG-N 3.18Å; Q482-A484 VanDerWaalsContact C-N 3.34Å; Q482-A484 PolarHBondContact O-N 3.38Å; A484-A488 WeakPolarHBondContact O-CB 3.33Å; A484-A488 PolarHBondContact O-N 3Å |
| 485 | M | 87.8 | Confident | 86.7 | Confident | 32 Ų | 32 | 79 Ų | 79 | 16% | 0.158 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 173.9 | -178.6 | -177.9 | 70.1 | 0 | 0 | 111.7 | S476 H479 S481 Q482 A487 A488 Y489 | S476-M485 VanDerWaalsContact CB-SD 3.54Å; H479-M485 HydrophobicContact CB-CB 3.8Å; S481-M485 PolarHBondContact O-N 2.64Å; Q482-M485 HydrophobicContact CG-CE 4.29Å; Q482-M485 WeakPolarHBondContact O-CB 3.36Å; Q482-M485 PolarHBondContact O-N 2.97Å; M485-A487 VanDerWaalsContact C-N 3.32Å; M485-A487 PolarHBondContact O-N 3.37Å; M485-A488 PolarHBondContact O-N 2.9Å; M485-Y489 HydrophobicContact CE-CE2 4.47Å; M485-Y489 HydrophobicContact CG-CD2 4.16Å; M485-Y489 HydrophobicContact CG-CE1 4.14Å; M485-Y489 HydrophobicContact CG-CE2 3.7Å; M485-Y489 PolarHBondContact O-N 3.37Å; M485-Y489 HydrophobicContact SD-CE2 4.04Å |
| 486 | E | 89 | Confident | 87.3 | Confident | 51 Ų | 51 | 76.7 Ų | 76.7 | 24% | 0.238 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 179.3 | -73.4 | -179.2 | -174.9 | 0 | 0 | 112 | Q482 Y489 Y490 Q526 I530 | Q482-E486 HydrophobicContact CG-CG 4.47Å; Q482-E486 PolarHBondContact NE2-OE1 3.45Å; Q482-E486 WeakPolarHBondContact O-CG 3.01Å; Q482-E486 PolarHBondContact O-N 2.88Å; E486-Y489 PolarHBondContact O-N 2.95Å; E486-Y490 WeakPolarHBondContact O-CB 3.18Å; E486-Y490 PolarHBondContact O-N 3.2Å; E486-Q526 PolarHBondContact OE1-NE2 3.34Å; E486-I530 HydrophobicContact CB-CG2 4.29Å; E486-I530 HydrophobicContact CG-CG2 4.11Å |
| 487 | A | 89.7 | Confident | 88.3 | Confident | 51 Ų | 51 | 78.5 Ų | 78.5 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N483 M485 Y489 Y490 D491 | N483-A487 WeakPolarHBondContact O-CB 3.49Å; N483-A487 PolarHBondContact O-N 3.4Å; M485-A487 VanDerWaalsContact C-N 3.32Å; M485-A487 PolarHBondContact O-N 3.37Å; A487-Y489 VanDerWaalsContact C-N 3.34Å; A487-Y489 PolarHBondContact O-N 3.44Å; A487-Y490 WeakPolarHBondContact O-CB 3.44Å; A487-Y490 PolarHBondContact O-N 2.9Å; A487-D491 PolarHBondContact O-N 2.87Å |
| 488 | A | 90.6 | Very high | 89.4 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 24% | 0.24 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H479 A484 M485 F492 | H479-A488 WeakPolarHBondContact CE1-CB 3.47Å; A484-A488 WeakPolarHBondContact O-CB 3.33Å; A484-A488 PolarHBondContact O-N 3Å; M485-A488 PolarHBondContact O-N 2.9Å; A488-F492 VanDerWaalsContact O-CB 3.28Å; A488-F492 WeakPolarHBondContact O-CB 3.43Å; A488-F492 PolarHBondContact O-N 2.91Å |
| 489 | Y | 94.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 66.1 Ų | 66.1 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 174.6 | -70.5 | -5.5 | 0 | 0 | 0 | 112.2 | M470 F473 P474 M485 E486 A487 F492 A493 I530 | M470-Y489 HydrophobicContact CE-CE2 4.07Å; F473-Y489 HydrophobicContact CB-CD1 4.41Å; F473-Y489 HydrophobicContact CB-CE1 4.18Å; F473-Y489 AromaticContact CD1-CD1 3.88Å; F473-Y489 HydrophobicContact CD1-CD1 3.88Å; F473-Y489 HydrophobicContact CD1-CD2 4.19Å; F473-Y489 HydrophobicContact CD1-CE1 4.47Å; F473-Y489 AromaticContact CD1-CG 3.7Å; F473-Y489 HydrophobicContact CD1-CG 3.7Å; F473-Y489 HydrophobicContact CE1-CG 4.29Å; P474-Y489 HydrophobicContact CB-CE1 4.3Å; P474-Y489 VanDerWaalsContact O-CE1 3.23Å; P474-Y489 WeakPolarHBondContact O-CE1 3.23Å; P474-Y489 PolarHBondContact O-OH 2.91Å; M485-Y489 HydrophobicContact CE-CE2 4.47Å; M485-Y489 HydrophobicContact CG-CD2 4.16Å; M485-Y489 HydrophobicContact CG-CE1 4.14Å; M485-Y489 HydrophobicContact CG-CE2 3.7Å; M485-Y489 PolarHBondContact O-N 3.37Å; M485-Y489 HydrophobicContact SD-CE2 4.04Å; E486-Y489 PolarHBondContact O-N 2.95Å; A487-Y489 VanDerWaalsContact C-N 3.34Å; A487-Y489 PolarHBondContact O-N 3.44Å; Y489-F492 PolarHBondContact O-N 2.91Å; Y489-A493 WeakPolarHBondContact O-CB 3.44Å; Y489-A493 PolarHBondContact O-N 3.38Å; Y489-I530 HydrophobicContact CD2-CD1 4.05Å |
| 490 | Y | 94.2 | Very high | 91.4 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.5 | -50.5 | 174.4 | -165.2 | -81.7 | 0 | 0 | 0 | 111.6 | E486 A487 F492 A493 K494 S529 P534 E537 | E486-Y490 WeakPolarHBondContact O-CB 3.18Å; E486-Y490 PolarHBondContact O-N 3.2Å; A487-Y490 WeakPolarHBondContact O-CB 3.44Å; A487-Y490 PolarHBondContact O-N 2.9Å; Y490-F492 VanDerWaalsContact C-N 3.35Å; Y490-F492 PolarHBondContact O-N 3.34Å; Y490-A493 PolarHBondContact O-N 2.63Å; Y490-K494 WeakPolarHBondContact O-CB 3.45Å; Y490-K494 PolarHBondContact O-N 2.75Å; Y490-S529 VanDerWaalsContact CD2-O 3.24Å; Y490-S529 WeakPolarHBondContact CD2-O 3.3Å; Y490-P534 HydrophobicContact CD1-CB 3.79Å; Y490-P534 HydrophobicContact CD1-CG 4.48Å; Y490-P534 HydrophobicContact CD2-CB 3.79Å; Y490-P534 HydrophobicContact CD2-CG 3.62Å; Y490-P534 HydrophobicContact CE1-CB 3.78Å; Y490-P534 HydrophobicContact CE2-CB 3.78Å; Y490-P534 VanDerWaalsContact CE2-CD 3.43Å; Y490-P534 HydrophobicContact CE2-CG 3.81Å; Y490-P534 HydrophobicContact CG-CB 3.78Å; Y490-P534 HydrophobicContact CG-CG 3.98Å; Y490-P534 WeakPolarHBondContact O-CB 3.44Å; Y490-E537 PolarHBondContact OH-OE1 2.99Å |
| 491 | D | 93.1 | Very high | 92.3 | Very high | 104 Ų | 104 | 55.8 Ų | 55.8 | 56% | 0.556 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.6 | -37.5 | 179.4 | -74.4 | -24.1 | 0 | 0 | 0 | 112.1 | A487 T495 | A487-D491 PolarHBondContact O-N 2.87Å; D491-T495 PolarHBondContact O-N 3.38Å; D491-T495 PolarHBondContact O-OG1 3.5Å |
| 492 | F | 94.7 | Very high | 92.8 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 28% | 0.276 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -51.1 | 173.5 | 173.8 | -100.7 | 0 | 0 | 0 | 111.5 | Q472 F473 P474 A488 Y489 Y490 K494 T495 M496 | Q472-F492 VanDerWaalsContact O-CE1 3.28Å; Q472-F492 WeakPolarHBondContact O-CE1 3.42Å; Q472-F492 WeakPolarHBondContact O-CZ 3.08Å; F473-F492 AromaticContact CD1-CD1 3.76Å; F473-F492 HydrophobicContact CD1-CD1 3.76Å; F473-F492 HydrophobicContact CD1-CE1 4.25Å; F473-F492 HydrophobicContact CE1-CD1 4Å; F473-F492 HydrophobicContact CG-CD1 4.33Å; F473-F492 HydrophobicContact CG-CE1 4.38Å; P474-F492 HydrophobicContact CG-CB 4.45Å; P474-F492 HydrophobicContact CG-CD2 4.03Å; P474-F492 HydrophobicContact CG-CE2 4.44Å; P474-F492 HydrophobicContact CG-CG 4.08Å; A488-F492 VanDerWaalsContact O-CB 3.28Å; A488-F492 WeakPolarHBondContact O-CB 3.43Å; A488-F492 PolarHBondContact O-N 2.91Å; Y489-F492 PolarHBondContact O-N 2.91Å; Y490-F492 VanDerWaalsContact C-N 3.35Å; Y490-F492 PolarHBondContact O-N 3.34Å; F492-K494 VanDerWaalsContact C-N 3.28Å; F492-K494 PolarHBondContact O-N 3Å; F492-T495 CarbonylContact O-C 3.52Å; F492-T495 PolarHBondContact O-N 3.02Å; F492-T495 PolarHBondContact O-OG1 3.46Å; F492-M496 PolarHBondContact O-N 3.49Å; F492-M496 VanDerWaalsContact O-N 3.09Å |
| 493 | A | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -40.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F473 Y489 Y490 T495 M496 I530 P534 L535 | F473-A493 HydrophobicContact CE1-CB 4.25Å; F473-A493 HydrophobicContact CZ-CB 4.36Å; Y489-A493 WeakPolarHBondContact O-CB 3.44Å; Y489-A493 PolarHBondContact O-N 3.38Å; Y490-A493 PolarHBondContact O-N 2.63Å; A493-T495 PolarHBondContact O-N 3.06Å; A493-M496 HydrophobicContact CB-CE 4.39Å; A493-M496 VanDerWaalsContact O-CB 3.27Å; A493-M496 WeakPolarHBondContact O-CB 3.5Å; A493-M496 PolarHBondContact O-N 3.15Å; A493-I530 VanDerWaalsContact CB-O 3.3Å; A493-I530 WeakPolarHBondContact CB-O 3.44Å; A493-P534 HydrophobicContact CB-CB 4.02Å; A493-P534 HydrophobicContact CB-CG 3.83Å; A493-L535 WeakPolarHBondContact O-CD2 3.41Å |
| 494 | K | 94.6 | Very high | 94 | Very high | 76 Ų | 76 | 43.1 Ų | 43.1 | 33% | 0.33 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -24 | 177.2 | -174.9 | 170.3 | -179.3 | 167.1 | 0 | 114 | Y490 F492 P534 E537 H538 | Y490-K494 WeakPolarHBondContact O-CB 3.45Å; Y490-K494 PolarHBondContact O-N 2.75Å; F492-K494 VanDerWaalsContact C-N 3.28Å; F492-K494 PolarHBondContact O-N 3Å; K494-P534 HydrophobicContact CB-CB 4.3Å; K494-E537 HydrophobicContact CD-CB 4.39Å; K494-E537 IonicContact NZ-OE2 2.71Å; K494-E537 PolarHBondContact NZ-OE2 3.12Å; K494-H538 PolarHBondContact O-CD2 3.38Å; K494-H538 VanDerWaalsContact O-CD2 3.29Å |
| 495 | T | 94.2 | Very high | 94.5 | Very high | 116 Ų | 116 | 41.1 Ų | 41.1 | 71% | 0.712 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 9.5 | -178.5 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | D491 F492 A493 | D491-T495 PolarHBondContact O-N 3.38Å; D491-T495 PolarHBondContact O-OG1 3.5Å; F492-T495 CarbonylContact O-C 3.52Å; F492-T495 PolarHBondContact O-N 3.02Å; F492-T495 PolarHBondContact O-OG1 3.46Å; A493-T495 PolarHBondContact O-N 3.06Å |
| 496 | M | 95 | Very high | 94.9 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -66 | 148.4 | 179.3 | 179.5 | 163.9 | 39.3 | 0 | 0 | 112 | F492 A493 A498 L500 A501 L504 L531 L535 H538 | F492-M496 PolarHBondContact O-N 3.49Å; F492-M496 VanDerWaalsContact O-N 3.09Å; A493-M496 HydrophobicContact CB-CE 4.39Å; A493-M496 VanDerWaalsContact O-CB 3.27Å; A493-M496 WeakPolarHBondContact O-CB 3.5Å; A493-M496 PolarHBondContact O-N 3.15Å; M496-A498 PolarHBondContact O-N 3.39Å; M496-L500 HydrophobicContact CG-CB 4.13Å; M496-L500 HydrophobicContact CG-CD2 4Å; M496-L500 HydrophobicContact CG-CG 4.1Å; M496-L500 HydrophobicContact SD-CB 4.37Å; M496-L500 HydrophobicContact SD-CD2 3.93Å; M496-L500 HydrophobicContact SD-CG 3.8Å; M496-A501 HydrophobicContact CE-CB 3.79Å; M496-A501 HydrophobicContact CG-CB 4.19Å; M496-A501 HydrophobicContact SD-CB 4.36Å; M496-L504 HydrophobicContact CE-CD1 4.41Å; M496-L504 HydrophobicContact SD-CD1 3.83Å; M496-L531 HydrophobicContact CE-CD1 3.71Å; M496-L535 HydrophobicContact CE-CD1 3.69Å; M496-L535 HydrophobicContact CE-CD2 3.93Å; M496-L535 HydrophobicContact CE-CG 4.25Å; M496-H538 PolarHBondContact O-NE2 3.23Å |
| 497 | D | 96 | Very high | 95.3 | Very high | 107 Ų | 107 | 37.2 Ų | 37.2 | 57% | 0.572 | 21% | 0.21 | S | C | * | . | trans | -54.4 | 135.9 | 171.7 | 176.4 | 91.6 | 0 | 0 | 0 | 111.3 | A499 L500 A501 | D497-A499 VanDerWaalsContact C-N 3.34Å; D497-A499 PolarHBondContact O-N 2.8Å; D497-A499 WeakPolarHBondContact OD2-CB 3.21Å; D497-A499 PolarHBondContact OD2-N 3.18Å; D497-L500 HydrophobicContact CB-CB 4.14Å; D497-L500 PolarHBondContact O-N 2.81Å; D497-L500 PolarHBondContact OD2-N 2.97Å; D497-L500 VanDerWaalsContact OD2-N 3.13Å; D497-A501 WeakPolarHBondContact O-CB 3.2Å; D497-A501 PolarHBondContact O-N 3.49Å | ||
| 498 | A | 96.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62 | -38 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M496 A501 E502 E540 P543 | M496-A498 PolarHBondContact O-N 3.39Å; A498-A501 PolarHBondContact O-N 2.87Å; A498-E502 WeakPolarHBondContact O-CB 3.47Å; A498-E502 PolarHBondContact O-N 3.25Å; A498-E540 VanDerWaalsContact CB-OE2 3.32Å; A498-E540 WeakPolarHBondContact CB-OE2 3.41Å; A498-P543 HydrophobicContact CB-CG 3.82Å |
| 499 | A | 95.1 | Very high | 95.8 | Very high | 48 Ų | 48 | 33.6 Ų | 33.6 | 40% | 0.397 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -72.9 | -37.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A439 D497 E502 K503 | A439-A499 HydrophobicContact CB-CB 4.08Å; A439-A499 WeakPolarHBondContact CB-O 3.38Å; D497-A499 VanDerWaalsContact C-N 3.34Å; D497-A499 PolarHBondContact O-N 2.8Å; D497-A499 WeakPolarHBondContact OD2-CB 3.21Å; D497-A499 PolarHBondContact OD2-N 3.18Å; A499-E502 PolarHBondContact O-N 2.95Å; A499-K503 PolarHBondContact O-N 3.2Å |
| 500 | L | 96.6 | Very high | 95.8 | Very high | 44 Ų | 44 | 34.1 Ų | 34.1 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | 172.1 | -177.6 | 58.9 | 0 | 0 | 0 | 111 | Q472 M496 D497 E502 K503 L504 | Q472-L500 HydrophobicContact CB-CD2 4.5Å; Q472-L500 HydrophobicContact CG-CD1 4.19Å; M496-L500 HydrophobicContact CG-CB 4.13Å; M496-L500 HydrophobicContact CG-CD2 4Å; M496-L500 HydrophobicContact CG-CG 4.1Å; M496-L500 HydrophobicContact SD-CB 4.37Å; M496-L500 HydrophobicContact SD-CD2 3.93Å; M496-L500 HydrophobicContact SD-CG 3.8Å; D497-L500 HydrophobicContact CB-CB 4.14Å; D497-L500 PolarHBondContact O-N 2.81Å; D497-L500 PolarHBondContact OD2-N 2.97Å; D497-L500 VanDerWaalsContact OD2-N 3.13Å; L500-E502 VanDerWaalsContact C-N 3.32Å; L500-E502 PolarHBondContact O-N 3.42Å; L500-K503 WeakPolarHBondContact O-CB 3.23Å; L500-K503 PolarHBondContact O-N 3Å; L500-L504 HydrophobicContact CD1-CD1 4.47Å; L500-L504 HydrophobicContact CD1-CD2 4.32Å; L500-L504 HydrophobicContact CD1-CG 4.18Å; L500-L504 HydrophobicContact CG-CD1 4.4Å; L500-L504 HydrophobicContact CG-CG 4.43Å; L500-L504 WeakPolarHBondContact O-CG 3.38Å; L500-L504 PolarHBondContact O-N 3.21Å |
| 501 | A | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M496 D497 A498 L504 L505 L535 P543 | M496-A501 HydrophobicContact CE-CB 3.79Å; M496-A501 HydrophobicContact CG-CB 4.19Å; M496-A501 HydrophobicContact SD-CB 4.36Å; D497-A501 WeakPolarHBondContact O-CB 3.2Å; D497-A501 PolarHBondContact O-N 3.49Å; A498-A501 PolarHBondContact O-N 2.87Å; A501-L504 PolarHBondContact O-N 3.45Å; A501-L505 VanDerWaalsContact O-CB 3.3Å; A501-L505 WeakPolarHBondContact O-CB 3.45Å; A501-L505 WeakPolarHBondContact O-CD1 3.35Å; A501-L505 VanDerWaalsContact O-CG 3.26Å; A501-L505 WeakPolarHBondContact O-CG 3.5Å; A501-L505 PolarHBondContact O-N 3.05Å; A501-L535 HydrophobicContact CB-CD1 4.02Å; A501-L535 HydrophobicContact CB-CD2 3.76Å; A501-P543 HydrophobicContact CB-CB 3.87Å; A501-P543 HydrophobicContact CB-CG 3.9Å |
| 502 | E | 96.6 | Very high | 95.7 | Very high | 32 Ų | 32 | 26.3 Ų | 26.3 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.7 | -50.6 | 174.1 | 179.8 | 173.9 | -168.1 | 0 | 0 | 111.9 | A439 N441 A498 A499 L500 L504 L505 C506 V542 H546 | A439-E502 HydrophobicContact CB-CB 4.14Å; A439-E502 HydrophobicContact CB-CG 4.06Å; N441-E502 PolarHBondContact ND2-OE1 2.97Å; N441-E502 PolarHBondContact OD1-OE1 2.87Å; A498-E502 WeakPolarHBondContact O-CB 3.47Å; A498-E502 PolarHBondContact O-N 3.25Å; A499-E502 PolarHBondContact O-N 2.95Å; L500-E502 VanDerWaalsContact C-N 3.32Å; L500-E502 PolarHBondContact O-N 3.42Å; E502-L504 PolarHBondContact O-N 3.34Å; E502-L505 PolarHBondContact O-N 3.16Å; E502-C506 VanDerWaalsContact O-CB 3.31Å; E502-C506 WeakPolarHBondContact O-CB 3.42Å; E502-C506 PolarHBondContact O-N 2.92Å; E502-C506 PolarHBondContact O-SG 3.39Å; E502-V542 HydrophobicContact CB-CG1 4.28Å; E502-V542 HydrophobicContact CG-CG1 4.26Å; E502-V542 WeakPolarHBondContact OE2-CG1 3.46Å; E502-H546 IonicContact OE1-CD2 2.72Å; E502-H546 IonicContact OE1-CE1 3.28Å; E502-H546 IonicContact OE1-NE2 2.83Å; E502-H546 PolarHBondContact OE1-NE2 3.35Å |
| 503 | K | 97.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 6% | 0.057 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -52.8 | -52.4 | 176.7 | 175.5 | -174.5 | 169.2 | -165.1 | 0 | 111.4 | L434 T435 G438 I444 E468 A499 L500 C506 M507 | L434-K503 VanDerWaalsContact O-CE 3.25Å; L434-K503 WeakPolarHBondContact O-CE 3.37Å; L434-K503 PolarHBondContact O-NZ 3.36Å; T435-K503 PolarHBondContact O-NZ 3.26Å; G438-K503 WeakPolarHBondContact O-CB 3.43Å; G438-K503 VanDerWaalsContact O-CG 3.27Å; G438-K503 WeakPolarHBondContact O-CG 3.47Å; I444-K503 HydrophobicContact CD1-CB 4.35Å; I444-K503 HydrophobicContact CD1-CG 4.03Å; E468-K503 IonicContact OE1-NZ 3.03Å; E468-K503 PolarHBondContact OE1-NZ 3.06Å; A499-K503 PolarHBondContact O-N 3.2Å; L500-K503 WeakPolarHBondContact O-CB 3.23Å; L500-K503 PolarHBondContact O-N 3Å; K503-C506 PolarHBondContact O-N 3.38Å; K503-M507 WeakPolarHBondContact O-CB 3.06Å; K503-M507 PolarHBondContact O-N 3.36Å |
| 504 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | -175.6 | -61.4 | -170.4 | 0 | 0 | 0 | 111.9 | I469 Q472 M496 L500 A501 E502 M507 L508 L531 | I469-L504 HydrophobicContact CG1-CB 4.38Å; I469-L504 HydrophobicContact CG1-CD2 4.09Å; I469-L504 HydrophobicContact CG2-CD1 4.45Å; Q472-L504 HydrophobicContact CB-CD1 4.04Å; Q472-L504 HydrophobicContact CG-CD1 3.9Å; Q472-L504 HydrophobicContact CG-CD2 4.03Å; Q472-L504 HydrophobicContact CG-CG 4.5Å; M496-L504 HydrophobicContact CE-CD1 4.41Å; M496-L504 HydrophobicContact SD-CD1 3.83Å; L500-L504 HydrophobicContact CD1-CD1 4.47Å; L500-L504 HydrophobicContact CD1-CD2 4.32Å; L500-L504 HydrophobicContact CD1-CG 4.18Å; L500-L504 HydrophobicContact CG-CD1 4.4Å; L500-L504 HydrophobicContact CG-CG 4.43Å; L500-L504 WeakPolarHBondContact O-CG 3.38Å; L500-L504 PolarHBondContact O-N 3.21Å; A501-L504 PolarHBondContact O-N 3.45Å; E502-L504 PolarHBondContact O-N 3.34Å; L504-M507 PolarHBondContact O-N 3.36Å; L504-L508 WeakPolarHBondContact O-CB 3.21Å; L504-L508 PolarHBondContact O-N 3.11Å; L504-L531 HydrophobicContact CB-CD2 4.37Å; L504-L531 HydrophobicContact CD1-CD1 4.48Å |
| 505 | L | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.9 | -39.2 | 177.4 | -76 | 169 | 0 | 0 | 0 | 112 | A501 E502 L508 C509 L531 V532 L535 P543 H546 A547 T550 | A501-L505 VanDerWaalsContact O-CB 3.3Å; A501-L505 WeakPolarHBondContact O-CB 3.45Å; A501-L505 WeakPolarHBondContact O-CD1 3.35Å; A501-L505 VanDerWaalsContact O-CG 3.26Å; A501-L505 WeakPolarHBondContact O-CG 3.5Å; A501-L505 PolarHBondContact O-N 3.05Å; E502-L505 PolarHBondContact O-N 3.16Å; L505-L508 PolarHBondContact O-N 3.14Å; L505-C509 WeakPolarHBondContact O-CB 3.29Å; L505-C509 PolarHBondContact O-N 2.88Å; L505-L531 HydrophobicContact CD2-CD2 4.36Å; L505-L531 HydrophobicContact CD2-CG 4.31Å; L505-V532 HydrophobicContact CD2-CG2 4.22Å; L505-L535 HydrophobicContact CD1-CB 4.1Å; L505-L535 HydrophobicContact CD1-CD1 3.51Å; L505-L535 HydrophobicContact CD1-CG 4.4Å; L505-L535 HydrophobicContact CD2-CD1 3.96Å; L505-L535 HydrophobicContact CG-CD1 3.65Å; L505-P543 VanDerWaalsContact CD1-O 3.3Å; L505-P543 WeakPolarHBondContact CD1-O 3.43Å; L505-H546 HydrophobicContact CB-CB 3.84Å; L505-H546 HydrophobicContact CD1-CB 3.78Å; L505-H546 HydrophobicContact CG-CB 4.48Å; L505-A547 HydrophobicContact CD1-CB 3.93Å; L505-A547 HydrophobicContact CD2-CB 4.23Å; L505-T550 PolarHBondContact O-OG1 2.9Å; L505-T550 VanDerWaalsContact O-OG1 3.09Å |
| 506 | C | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -49.4 | 173.9 | -75.2 | 0 | 0 | 0 | 0 | 111.1 | N441 I444 E502 K503 L508 C509 E510 H546 R549 | N441-C506 PolarHBondContact OD1-SG 2.75Å; I444-C506 HydrophobicContact CD1-CB 3.95Å; I444-C506 HydrophobicContact CG2-CB 4.16Å; E502-C506 VanDerWaalsContact O-CB 3.31Å; E502-C506 WeakPolarHBondContact O-CB 3.42Å; E502-C506 PolarHBondContact O-N 2.92Å; E502-C506 PolarHBondContact O-SG 3.39Å; K503-C506 PolarHBondContact O-N 3.38Å; C506-L508 VanDerWaalsContact C-N 3.28Å; C506-L508 PolarHBondContact O-N 2.74Å; C506-C509 WeakPolarHBondContact O-CB 3.24Å; C506-C509 PolarHBondContact O-N 3.34Å; C506-C509 VanDerWaalsContact O-N 3.12Å; C506-E510 VanDerWaalsContact O-CG 3.26Å; C506-E510 WeakPolarHBondContact O-CG 3.47Å; C506-E510 PolarHBondContact O-N 3Å; C506-H546 PolarHBondContact SG-CE1 3.38Å; C506-H546 PolarHBondContact SG-ND1 3.04Å; C506-R549 PolarHBondContact SG-NH2 2.75Å |
| 507 | M | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.9 | -43.8 | 177.2 | -173.6 | 177.7 | -67.1 | 0 | 0 | 111.9 | L434 I444 V448 C465 E468 I469 K503 L504 E510 L511 | L434-M507 HydrophobicContact CB-CE 4.36Å; L434-M507 HydrophobicContact CD2-CE 4.33Å; I444-M507 HydrophobicContact CG2-CB 4.15Å; V448-M507 HydrophobicContact CG2-CG 4.39Å; C465-M507 HydrophobicContact CB-CG 3.85Å; C465-M507 HydrophobicContact CB-SD 3.91Å; E468-M507 HydrophobicContact CB-SD 4.17Å; E468-M507 HydrophobicContact CG-CE 4.01Å; E468-M507 HydrophobicContact CG-SD 4.12Å; I469-M507 HydrophobicContact CG1-SD 4.36Å; K503-M507 WeakPolarHBondContact O-CB 3.06Å; K503-M507 PolarHBondContact O-N 3.36Å; L504-M507 PolarHBondContact O-N 3.36Å; M507-E510 PolarHBondContact O-N 3.47Å; M507-L511 WeakPolarHBondContact O-CB 3.15Å; M507-L511 PolarHBondContact O-N 3.45Å |
| 508 | L | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.4 | -174.6 | 60.1 | 0 | 0 | 0 | 112.6 | L466 I469 L504 L505 C506 E510 L511 F512 L527 L531 V532 T550 | L466-L508 HydrophobicContact CD2-CD1 4.39Å; I469-L508 HydrophobicContact CD1-CB 3.96Å; I469-L508 HydrophobicContact CD1-CD1 4.29Å; L504-L508 WeakPolarHBondContact O-CB 3.21Å; L504-L508 PolarHBondContact O-N 3.11Å; L505-L508 PolarHBondContact O-N 3.14Å; C506-L508 VanDerWaalsContact C-N 3.28Å; C506-L508 PolarHBondContact O-N 2.74Å; L508-E510 VanDerWaalsContact C-N 3.35Å; L508-E510 PolarHBondContact O-N 3.22Å; L508-L511 PolarHBondContact O-N 2.85Å; L508-F512 HydrophobicContact CD1-CD1 4.26Å; L508-F512 HydrophobicContact CD1-CE1 3.56Å; L508-F512 HydrophobicContact CD1-CE2 4.04Å; L508-F512 HydrophobicContact CD1-CZ 3.44Å; L508-F512 VanDerWaalsContact CD1-CZ 3.44Å; L508-F512 HydrophobicContact CD2-CE2 3.96Å; L508-F512 HydrophobicContact CD2-CZ 3.84Å; L508-F512 HydrophobicContact CG-CD2 4.24Å; L508-F512 HydrophobicContact CG-CE1 4.1Å; L508-F512 HydrophobicContact CG-CE2 3.62Å; L508-F512 HydrophobicContact CG-CZ 3.54Å; L508-F512 WeakPolarHBondContact O-CG 3.46Å; L508-F512 PolarHBondContact O-N 3.35Å; L508-L527 HydrophobicContact CD1-CD1 3.72Å; L508-L527 HydrophobicContact CD2-CB 3.95Å; L508-L527 HydrophobicContact CD2-CD1 4.18Å; L508-L531 HydrophobicContact CD2-CD2 3.92Å; L508-V532 HydrophobicContact CD2-CG2 3.9Å; L508-T550 HydrophobicContact CB-CG2 4.4Å; L508-T550 HydrophobicContact CD2-CG2 4.08Å; L508-T550 HydrophobicContact CG-CG2 4.08Å |
| 509 | C | 94.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 177.3 | -171 | 0 | 0 | 0 | 0 | 111.7 | L505 C506 F512 S513 T550 | L505-C509 WeakPolarHBondContact O-CB 3.29Å; L505-C509 PolarHBondContact O-N 2.88Å; C506-C509 WeakPolarHBondContact O-CB 3.24Å; C506-C509 PolarHBondContact O-N 3.34Å; C506-C509 VanDerWaalsContact O-N 3.12Å; C509-F512 PolarHBondContact O-N 2.8Å; C509-S513 PolarHBondContact O-N 3.34Å; C509-S513 VanDerWaalsContact O-N 3.08Å; C509-S513 PolarHBondContact O-OG 3.14Å; C509-T550 HydrophobicContact CB-CG2 4.35Å; C509-T550 WeakPolarHBondContact CB-OG1 3.36Å |
| 510 | E | 94.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.5 | -39.4 | 178.1 | -61.5 | -57.7 | 157.1 | 0 | 0 | 110.9 | I444 N445 V448 C506 M507 L508 F512 S513 L514 | I444-E510 HydrophobicContact CG2-CG 4.37Å; N445-E510 HydrophobicContact CB-CG 4.24Å; N445-E510 PolarHBondContact ND2-OE1 2.92Å; N445-E510 PolarHBondContact ND2-OE2 2.84Å; V448-E510 HydrophobicContact CB-CB 4.11Å; V448-E510 HydrophobicContact CG1-CB 4Å; V448-E510 HydrophobicContact CG2-CB 4.31Å; C506-E510 VanDerWaalsContact O-CG 3.26Å; C506-E510 WeakPolarHBondContact O-CG 3.47Å; C506-E510 PolarHBondContact O-N 3Å; M507-E510 PolarHBondContact O-N 3.47Å; L508-E510 VanDerWaalsContact C-N 3.35Å; L508-E510 PolarHBondContact O-N 3.22Å; E510-F512 PolarHBondContact O-N 3.36Å; E510-S513 WeakPolarHBondContact O-CB 3.29Å; E510-S513 PolarHBondContact O-N 3.21Å; E510-S513 VanDerWaalsContact O-N 3.16Å; E510-L514 PolarHBondContact O-N 3.38Å |
| 511 | L | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 173 | -179.6 | 64.3 | 0 | 0 | 0 | 111.9 | F458 C465 L466 M507 L508 S513 L514 M524 | F458-L511 HydrophobicContact CE2-CD1 3.81Å; F458-L511 HydrophobicContact CZ-CD1 3.96Å; F458-L511 HydrophobicContact CZ-CG 4.45Å; C465-L511 HydrophobicContact CB-CD2 4.13Å; L466-L511 HydrophobicContact CD2-CD2 3.91Å; L466-L511 HydrophobicContact CG-CD2 3.94Å; M507-L511 WeakPolarHBondContact O-CB 3.15Å; M507-L511 PolarHBondContact O-N 3.45Å; L508-L511 PolarHBondContact O-N 2.85Å; L511-S513 VanDerWaalsContact C-N 3.27Å; L511-S513 PolarHBondContact O-N 3.18Å; L511-L514 PolarHBondContact O-N 3.08Å; L511-L514 VanDerWaalsContact O-N 3.13Å; L511-M524 HydrophobicContact CD2-CE 4.21Å; L511-M524 HydrophobicContact CD2-CG 4.45Å; L511-M524 HydrophobicContact CG-CE 4.16Å |
| 512 | F | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -37.9 | 175.1 | -67.4 | -23.2 | 0 | 0 | 0 | 112.1 | L508 C509 E510 L514 T515 L520 M524 T550 I553 Y554 | L508-F512 HydrophobicContact CD1-CD1 4.26Å; L508-F512 HydrophobicContact CD1-CE1 3.56Å; L508-F512 HydrophobicContact CD1-CE2 4.04Å; L508-F512 HydrophobicContact CD1-CZ 3.44Å; L508-F512 VanDerWaalsContact CD1-CZ 3.44Å; L508-F512 HydrophobicContact CD2-CE2 3.96Å; L508-F512 HydrophobicContact CD2-CZ 3.84Å; L508-F512 HydrophobicContact CG-CD2 4.24Å; L508-F512 HydrophobicContact CG-CE1 4.1Å; L508-F512 HydrophobicContact CG-CE2 3.62Å; L508-F512 HydrophobicContact CG-CZ 3.54Å; L508-F512 WeakPolarHBondContact O-CG 3.46Å; L508-F512 PolarHBondContact O-N 3.35Å; C509-F512 PolarHBondContact O-N 2.8Å; E510-F512 PolarHBondContact O-N 3.36Å; F512-L514 PolarHBondContact O-N 2.79Å; F512-L514 VanDerWaalsContact O-N 3.12Å; F512-T515 WeakPolarHBondContact O-CB 3.26Å; F512-T515 WeakPolarHBondContact O-CG2 3.44Å; F512-T515 PolarHBondContact O-N 2.89Å; F512-T515 PolarHBondContact O-OG1 2.94Å; F512-L520 HydrophobicContact CD1-CD2 4.33Å; F512-M524 HydrophobicContact CD1-CE 3.51Å; F512-M524 HydrophobicContact CE1-CB 4.02Å; F512-M524 HydrophobicContact CE1-CE 3.65Å; F512-M524 HydrophobicContact CE1-CG 4.3Å; F512-T550 HydrophobicContact CD2-CG2 3.78Å; F512-T550 HydrophobicContact CE2-CG2 3.59Å; F512-I553 HydrophobicContact CB-CG2 4.02Å; F512-Y554 HydrophobicContact CD1-CD2 4.27Å; F512-Y554 HydrophobicContact CD2-CD2 4.03Å; F512-Y554 HydrophobicContact CD2-CG 4.43Å; F512-Y554 AromaticContact CE1-CD2 3.91Å; F512-Y554 HydrophobicContact CE1-CD2 3.91Å; F512-Y554 HydrophobicContact CE1-CE2 4.41Å; F512-Y554 AromaticContact CE2-CD2 3.62Å; F512-Y554 HydrophobicContact CE2-CD2 3.62Å; F512-Y554 HydrophobicContact CE2-CG 4.21Å; F512-Y554 HydrophobicContact CG-CD2 4.34Å; F512-Y554 AromaticContact CZ-CD2 3.56Å; F512-Y554 HydrophobicContact CZ-CD2 3.56Å; F512-Y554 HydrophobicContact CZ-CE2 4.23Å |
| 513 | S | 88.6 | Confident | 88.9 | Confident | 50 Ų | 50 | 37.2 Ų | 37.2 | 35% | 0.35 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.6 | -16.4 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 113.5 | C509 E510 L511 | C509-S513 PolarHBondContact O-N 3.34Å; C509-S513 VanDerWaalsContact O-N 3.08Å; C509-S513 PolarHBondContact O-OG 3.14Å; E510-S513 WeakPolarHBondContact O-CB 3.29Å; E510-S513 PolarHBondContact O-N 3.21Å; E510-S513 VanDerWaalsContact O-N 3.16Å; L511-S513 VanDerWaalsContact C-N 3.27Å; L511-S513 PolarHBondContact O-N 3.18Å |
| 514 | L | 89 | Confident | 88.6 | Confident | 30 Ų | 30 | 36.6 Ų | 36.6 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2.5 | 175.5 | -61.8 | 178.1 | 0 | 0 | 0 | 114 | V448 F452 F458 T461 E510 L511 F512 V516 | V448-L514 HydrophobicContact CG1-CD1 3.83Å; F452-L514 HydrophobicContact CB-CD1 3.69Å; F452-L514 HydrophobicContact CD1-CD1 4.3Å; F452-L514 HydrophobicContact CD1-CD2 3.91Å; F452-L514 HydrophobicContact CD2-CD1 4.35Å; F452-L514 HydrophobicContact CE1-CD2 4.39Å; F452-L514 HydrophobicContact CG-CD1 3.87Å; F452-L514 HydrophobicContact CG-CD2 4.33Å; F458-L514 HydrophobicContact CD2-CB 4.17Å; F458-L514 HydrophobicContact CE2-CB 4.11Å; T461-L514 HydrophobicContact CG2-CD1 4.23Å; E510-L514 PolarHBondContact O-N 3.38Å; L511-L514 PolarHBondContact O-N 3.08Å; L511-L514 VanDerWaalsContact O-N 3.13Å; F512-L514 PolarHBondContact O-N 2.79Å; F512-L514 VanDerWaalsContact O-N 3.12Å; L514-V516 PolarHBondContact O-N 3.12Å; L514-V516 VanDerWaalsContact O-N 3.15Å |
| 515 | T | 84.5 | Confident | 88.2 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | trans | -79.8 | 12.2 | -172.9 | 60 | 0 | 0 | 0 | 0 | 115 | F458 F512 D517 V518 L520 M524 E557 | F458-T515 HydrophobicContact CE2-CG2 3.7Å; F458-T515 HydrophobicContact CZ-CG2 3.58Å; F512-T515 WeakPolarHBondContact O-CB 3.26Å; F512-T515 WeakPolarHBondContact O-CG2 3.44Å; F512-T515 PolarHBondContact O-N 2.89Å; F512-T515 PolarHBondContact O-OG1 2.94Å; T515-D517 PolarHBondContact O-N 3.15Å; T515-V518 PolarHBondContact O-N 2.91Å; T515-L520 HydrophobicContact CG2-CD2 3.81Å; T515-M524 HydrophobicContact CG2-CE 3.58Å; T515-E557 WeakPolarHBondContact OG1-CB 3.39Å | ||
| 516 | V | 75.3 | Confident | 87.8 | Confident | 90 Ų | 90 | 41.5 Ų | 41.5 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 117.7 | 177.4 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | L514 V518 | L514-V516 PolarHBondContact O-N 3.12Å; L514-V516 VanDerWaalsContact O-N 3.15Å; V516-V518 VanDerWaalsContact C-N 3.3Å; V516-V518 PolarHBondContact O-N 2.98Å |
| 517 | D | 69.4 | Low | 87.7 | Confident | 169 Ų | 169 | 41.5 Ų | 41.5 | 90% | 0.904 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 15.3 | -176.5 | -53.4 | -47.4 | 0 | 0 | 0 | 116.6 | T515 | T515-D517 PolarHBondContact O-N 3.15Š|
| 518 | V | 76.6 | Confident | 87.4 | Confident | 54 Ų | 54 | 41.7 Ų | 41.7 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | trans | -116.3 | 137.9 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | F458 T515 V516 | F458-V518 HydrophobicContact CB-CG2 4.41Å; F458-V518 HydrophobicContact CD1-CB 4.44Å; F458-V518 HydrophobicContact CD1-CG1 3.64Å; F458-V518 HydrophobicContact CE1-CG1 3.88Å; F458-V518 HydrophobicContact CG-CG1 4.17Å; F458-V518 HydrophobicContact CG-CG2 4.28Å; T515-V518 PolarHBondContact O-N 2.91Å; V516-V518 VanDerWaalsContact C-N 3.3Å; V516-V518 PolarHBondContact O-N 2.98Å | ||
| 519 | T | 77.7 | Confident | 87.1 | Confident | 126 Ų | 126 | 44.3 Ų | 44.3 | 77% | 0.773 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 130.3 | 174.5 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | T521 | T519-T521 PolarHBondContact O-N 3.48Š|
| 520 | L | 82.6 | Confident | 87.1 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 130.2 | 175.8 | -64.4 | 170 | 0 | 0 | 0 | 112.1 | F512 T515 M524 K525 Y554 S558 | F512-L520 HydrophobicContact CD1-CD2 4.33Å; T515-L520 HydrophobicContact CG2-CD2 3.81Å; L520-M524 HydrophobicContact CD2-CE 3.47Å; L520-M524 VanDerWaalsContact CD2-CE 3.47Å; L520-M524 HydrophobicContact CD2-SD 4.34Å; L520-K525 HydrophobicContact CB-CG 4.22Å; L520-Y554 HydrophobicContact CD1-CD2 4.15Å; L520-Y554 HydrophobicContact CD1-CE1 4.19Å; L520-Y554 HydrophobicContact CD1-CE2 3.3Å; L520-Y554 VanDerWaalsContact CD1-OH 3.26Å; L520-Y554 WeakPolarHBondContact CD1-OH 3.42Å; L520-Y554 HydrophobicContact CD2-CE2 4.32Å; L520-Y554 HydrophobicContact CG-CE2 4.4Å; L520-S558 VanDerWaalsContact CD1-CB 3.46Å |
| 521 | T | 86.2 | Confident | 87.3 | Confident | 36 Ų | 36 | 43.1 Ų | 43.1 | 22% | 0.221 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 155.6 | 177.1 | 71.9 | 0 | 0 | 0 | 0 | 111.1 | T519 L523 M524 K525 | T519-T521 PolarHBondContact O-N 3.48Å; T521-L523 PolarHBondContact O-N 3.36Å; T521-M524 HydrophobicContact CG2-SD 4.02Å; T521-M524 WeakPolarHBondContact O-CB 3.32Å; T521-M524 PolarHBondContact O-N 3.47Å; T521-M524 VanDerWaalsContact O-N 3.14Å; T521-M524 VanDerWaalsContact OG1-CG 3.22Å; T521-M524 WeakPolarHBondContact OG1-CG 3.35Å; T521-M524 PolarHBondContact OG1-N 2.85Å; T521-M524 PolarHBondContact OG1-SD 3.15Å; T521-K525 PolarHBondContact O-N 2.85Å; T521-K525 VanDerWaalsContact O-N 3.16Å |
| 522 | P | 88.8 | Confident | 87.3 | Confident | 111 Ų | 111 | 43.1 Ų | 43.1 | 72% | 0.721 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -55.1 | -37.6 | 177.1 | -27.6 | 35.8 | 0 | 0 | 0 | 113.6 | K525 Q526 | P522-K525 PolarHBondContact O-N 3.47Å; P522-Q526 WeakPolarHBondContact O-CB 3.49Å; P522-Q526 PolarHBondContact O-N 2.94Å |
| 523 | L | 91.5 | Very high | 87.4 | Confident | 48 Ų | 48 | 45.4 Ų | 45.4 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 178.6 | -178.2 | 56.9 | 0 | 0 | 0 | 111.9 | L466 M470 T521 K525 Q526 L527 | L466-L523 HydrophobicContact CB-CD2 3.83Å; L466-L523 HydrophobicContact CD1-CB 4.44Å; L466-L523 HydrophobicContact CD1-CD2 4.14Å; L466-L523 HydrophobicContact CD1-CG 4.38Å; L466-L523 HydrophobicContact CD2-CG 4.44Å; L466-L523 HydrophobicContact CG-CD2 4.41Å; M470-L523 HydrophobicContact CG-CD1 4.18Å; M470-L523 HydrophobicContact CG-CD2 4.13Å; M470-L523 HydrophobicContact SD-CD1 4.05Å; T521-L523 PolarHBondContact O-N 3.36Å; L523-K525 VanDerWaalsContact C-N 3.29Å; L523-K525 PolarHBondContact O-N 2.84Å; L523-Q526 WeakPolarHBondContact O-CB 3.26Å; L523-Q526 PolarHBondContact O-N 3.22Å; L523-L527 WeakPolarHBondContact O-CG 3.45Å; L523-L527 PolarHBondContact O-N 3.14Å |
| 524 | M | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 173.6 | -72.6 | 168.7 | 80.1 | 0 | 0 | 112.1 | F458 L466 L511 F512 T515 L520 T521 | F458-M524 HydrophobicContact CE1-SD 4.27Å; F458-M524 HydrophobicContact CZ-CE 3.89Å; F458-M524 HydrophobicContact CZ-SD 4.05Å; L466-M524 HydrophobicContact CD1-CG 3.84Å; L466-M524 HydrophobicContact CD2-CG 3.9Å; L466-M524 HydrophobicContact CG-CG 4.44Å; L511-M524 HydrophobicContact CD2-CE 4.21Å; L511-M524 HydrophobicContact CD2-CG 4.45Å; L511-M524 HydrophobicContact CG-CE 4.16Å; F512-M524 HydrophobicContact CD1-CE 3.51Å; F512-M524 HydrophobicContact CE1-CB 4.02Å; F512-M524 HydrophobicContact CE1-CE 3.65Å; F512-M524 HydrophobicContact CE1-CG 4.3Å; T515-M524 HydrophobicContact CG2-CE 3.58Å; L520-M524 HydrophobicContact CD2-CE 3.47Å; L520-M524 VanDerWaalsContact CD2-CE 3.47Å; L520-M524 HydrophobicContact CD2-SD 4.34Å; T521-M524 HydrophobicContact CG2-SD 4.02Å; T521-M524 WeakPolarHBondContact O-CB 3.32Å; T521-M524 PolarHBondContact O-N 3.47Å; T521-M524 VanDerWaalsContact O-N 3.14Å; T521-M524 VanDerWaalsContact OG1-CG 3.22Å; T521-M524 WeakPolarHBondContact OG1-CG 3.35Å; T521-M524 PolarHBondContact OG1-N 2.85Å; T521-M524 PolarHBondContact OG1-SD 3.15Å |
| 525 | K | 88.5 | Confident | 88.1 | Confident | 53 Ų | 53 | 41.6 Ų | 41.6 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -42 | 174.4 | -59.2 | -178.9 | -174.3 | -172.1 | 0 | 111.2 | L520 T521 P522 L523 L527 L528 E560 Y561 | L520-K525 HydrophobicContact CB-CG 4.22Å; T521-K525 PolarHBondContact O-N 2.85Å; T521-K525 VanDerWaalsContact O-N 3.16Å; P522-K525 PolarHBondContact O-N 3.47Å; L523-K525 VanDerWaalsContact C-N 3.29Å; L523-K525 PolarHBondContact O-N 2.84Å; K525-L527 VanDerWaalsContact C-N 3.3Å; K525-L527 PolarHBondContact O-N 3.29Å; K525-L528 VanDerWaalsContact O-CB 3.31Å; K525-L528 WeakPolarHBondContact O-CB 3.34Å; K525-L528 PolarHBondContact O-N 3.31Å; K525-L528 VanDerWaalsContact O-N 3.15Å; K525-E560 WeakPolarHBondContact CE-OE2 3.41Å; K525-E560 IonicContact NZ-OE1 3.79Å; K525-E560 PolarHBondContact NZ-OE1 3.01Å; K525-E560 IonicContact NZ-OE2 3.24Å; K525-E560 PolarHBondContact NZ-OE2 3.21Å; K525-Y561 HydrophobicContact CD-CE2 4.32Å; K525-Y561 HydrophobicContact CG-CE2 4.47Å |
| 526 | Q | 91.1 | Very high | 88.5 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 23% | 0.234 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -39.1 | 178 | -169.2 | 180 | 32.6 | 0 | 0 | 111.8 | E486 P522 L523 L528 S529 I530 | E486-Q526 PolarHBondContact OE1-NE2 3.34Å; P522-Q526 WeakPolarHBondContact O-CB 3.49Å; P522-Q526 PolarHBondContact O-N 2.94Å; L523-Q526 WeakPolarHBondContact O-CB 3.26Å; L523-Q526 PolarHBondContact O-N 3.22Å; Q526-L528 PolarHBondContact O-N 3.22Å; Q526-L528 VanDerWaalsContact O-N 3.15Å; Q526-S529 WeakPolarHBondContact O-CA 3.41Å; Q526-S529 WeakPolarHBondContact O-CB 3.43Å; Q526-S529 PolarHBondContact O-N 3.17Å; Q526-I530 HydrophobicContact CG-CD1 4.3Å; Q526-I530 HydrophobicContact CG-CG1 4.5Å; Q526-I530 HydrophobicContact CG-CG2 4.25Å; Q526-I530 PolarHBondContact O-N 3.23Å |
| 527 | L | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.3 | -23.6 | 176.7 | -76.2 | 175.7 | 0 | 0 | 0 | 113.6 | L466 I469 M470 L508 L523 K525 S529 I530 L531 V532 | L466-L527 HydrophobicContact CD2-CD1 3.32Å; I469-L527 HydrophobicContact CD1-CD1 4.26Å; I469-L527 HydrophobicContact CG2-CD1 4.29Å; I469-L527 HydrophobicContact CG2-CD2 3.8Å; M470-L527 HydrophobicContact SD-CD2 3.91Å; L508-L527 HydrophobicContact CD1-CD1 3.72Å; L508-L527 HydrophobicContact CD2-CB 3.95Å; L508-L527 HydrophobicContact CD2-CD1 4.18Å; L523-L527 WeakPolarHBondContact O-CG 3.45Å; L523-L527 PolarHBondContact O-N 3.14Å; K525-L527 VanDerWaalsContact C-N 3.3Å; K525-L527 PolarHBondContact O-N 3.29Å; L527-S529 VanDerWaalsContact C-N 3.28Å; L527-S529 PolarHBondContact O-N 3.31Å; L527-I530 HydrophobicContact CD2-CD1 4.01Å; L527-I530 HydrophobicContact CD2-CG1 4.01Å; L527-L531 HydrophobicContact CD2-CB 4.06Å; L527-L531 HydrophobicContact CD2-CD2 4.32Å; L527-L531 WeakPolarHBondContact O-CA 3.3Å; L527-L531 VanDerWaalsContact O-CB 3.28Å; L527-L531 WeakPolarHBondContact O-CB 3.28Å; L527-L531 PolarHBondContact O-N 3.22Å; L527-V532 PolarHBondContact O-N 3.16Å |
| 528 | L | 90.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -59 | -45.4 | 168.6 | -67.7 | 177.3 | 0 | 0 | 0 | 111.2 | K525 Q526 V532 Y533 L551 Y554 Y561 | K525-L528 VanDerWaalsContact O-CB 3.31Å; K525-L528 WeakPolarHBondContact O-CB 3.34Å; K525-L528 PolarHBondContact O-N 3.31Å; K525-L528 VanDerWaalsContact O-N 3.15Å; Q526-L528 PolarHBondContact O-N 3.22Å; Q526-L528 VanDerWaalsContact O-N 3.15Å; L528-V532 HydrophobicContact CD2-CB 4.3Å; L528-V532 HydrophobicContact CD2-CG2 4.1Å; L528-V532 PolarHBondContact O-N 3.09Å; L528-Y533 HydrophobicContact CB-CE2 4.26Å; L528-Y533 VanDerWaalsContact O-CD2 3.22Å; L528-Y533 WeakPolarHBondContact O-CD2 3.38Å; L528-Y533 VanDerWaalsContact O-CG 3.3Å; L528-Y533 PolarHBondContact O-N 3.38Å; L528-L551 HydrophobicContact CD2-CD1 4.39Å; L528-Y554 HydrophobicContact CD1-CD1 4.02Å; L528-Y554 HydrophobicContact CD1-CD2 4.11Å; L528-Y554 HydrophobicContact CD1-CE1 3.68Å; L528-Y554 HydrophobicContact CD1-CE2 3.66Å; L528-Y554 HydrophobicContact CD1-CG 4.24Å; L528-Y554 VanDerWaalsContact CD1-CZ 3.44Å; L528-Y554 HydrophobicContact CD2-CD1 4.36Å; L528-Y554 HydrophobicContact CD2-CD2 3.91Å; L528-Y554 HydrophobicContact CD2-CE2 4.26Å; L528-Y554 HydrophobicContact CD2-CG 3.93Å; L528-Y554 HydrophobicContact CG-CD2 4.2Å; L528-Y554 HydrophobicContact CG-CE2 4.04Å; L528-Y561 HydrophobicContact CD1-CD2 4.33Å |
| 529 | S | 90.7 | Very high | 91.3 | Very high | 56 Ų | 56 | 38 Ų | 38 | 39% | 0.392 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -77.7 | -39.2 | -175.4 | -56.5 | 0 | 0 | 0 | 0 | 112.6 | Y490 Q526 L527 P534 | Y490-S529 VanDerWaalsContact CD2-O 3.24Å; Y490-S529 WeakPolarHBondContact CD2-O 3.3Å; Q526-S529 WeakPolarHBondContact O-CA 3.41Å; Q526-S529 WeakPolarHBondContact O-CB 3.43Å; Q526-S529 PolarHBondContact O-N 3.17Å; L527-S529 VanDerWaalsContact C-N 3.28Å; L527-S529 PolarHBondContact O-N 3.31Å; S529-P534 VanDerWaalsContact O-CD 3.29Å; S529-P534 WeakPolarHBondContact O-CD 3.36Å |
| 530 | I | 94.5 | Very high | 92 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -96.5 | -15.9 | -173.7 | 67.4 | 170.8 | 0 | 0 | 0 | 114.5 | M470 E486 Y489 A493 Q526 L527 P534 | M470-I530 HydrophobicContact CE-CD1 4.12Å; M470-I530 HydrophobicContact SD-CD1 4.02Å; E486-I530 HydrophobicContact CB-CG2 4.29Å; E486-I530 HydrophobicContact CG-CG2 4.11Å; Y489-I530 HydrophobicContact CD2-CD1 4.05Å; A493-I530 VanDerWaalsContact CB-O 3.3Å; A493-I530 WeakPolarHBondContact CB-O 3.44Å; Q526-I530 HydrophobicContact CG-CD1 4.3Å; Q526-I530 HydrophobicContact CG-CG1 4.5Å; Q526-I530 HydrophobicContact CG-CG2 4.25Å; Q526-I530 PolarHBondContact O-N 3.23Å; L527-I530 HydrophobicContact CD2-CD1 4.01Å; L527-I530 HydrophobicContact CD2-CG1 4.01Å; I530-P534 VanDerWaalsContact C-CG 3.45Å; I530-P534 VanDerWaalsContact O-CG 3.27Å; I530-P534 WeakPolarHBondContact O-CG 3.4Å |
| 531 | L | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -124.4 | -56.3 | -178.4 | -176.1 | 74.2 | 0 | 0 | 0 | 112.1 | I469 F473 M496 L504 L505 L508 L527 L535 | I469-L531 HydrophobicContact CG2-CD2 4.06Å; F473-L531 HydrophobicContact CE2-CD1 4.16Å; F473-L531 HydrophobicContact CZ-CB 4.32Å; F473-L531 HydrophobicContact CZ-CD1 3.83Å; M496-L531 HydrophobicContact CE-CD1 3.71Å; L504-L531 HydrophobicContact CB-CD2 4.37Å; L504-L531 HydrophobicContact CD1-CD1 4.48Å; L505-L531 HydrophobicContact CD2-CD2 4.36Å; L505-L531 HydrophobicContact CD2-CG 4.31Å; L508-L531 HydrophobicContact CD2-CD2 3.92Å; L527-L531 HydrophobicContact CD2-CB 4.06Å; L527-L531 HydrophobicContact CD2-CD2 4.32Å; L527-L531 WeakPolarHBondContact O-CA 3.3Å; L527-L531 VanDerWaalsContact O-CB 3.28Å; L527-L531 WeakPolarHBondContact O-CB 3.28Å; L527-L531 PolarHBondContact O-N 3.22Å; L531-L535 HydrophobicContact CD1-CD1 3.62Å; L531-L535 HydrophobicContact CG-CD1 3.96Å; L531-L535 VanDerWaalsContact O-CB 3.31Å; L531-L535 WeakPolarHBondContact O-CB 3.37Å; L531-L535 WeakPolarHBondContact O-CD1 3.28Å; L531-L535 WeakPolarHBondContact O-CG 3.38Å; L531-L535 PolarHBondContact O-N 3.47Å |
| 532 | V | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -68.8 | -55.4 | -171.1 | -177.5 | 0 | 0 | 0 | 0 | 112 | L505 L508 L527 L528 L535 L536 A547 T550 L551 | L505-V532 HydrophobicContact CD2-CG2 4.22Å; L508-V532 HydrophobicContact CD2-CG2 3.9Å; L527-V532 PolarHBondContact O-N 3.16Å; L528-V532 HydrophobicContact CD2-CB 4.3Å; L528-V532 HydrophobicContact CD2-CG2 4.1Å; L528-V532 PolarHBondContact O-N 3.09Å; V532-L535 PolarHBondContact O-N 3.38Å; V532-L536 PolarHBondContact O-N 3.31Å; V532-L536 VanDerWaalsContact O-N 3.13Å; V532-A547 HydrophobicContact CG1-CB 4.35Å; V532-A547 WeakPolarHBondContact CG1-O 3.11Å; V532-T550 HydrophobicContact CG2-CG2 3.97Å; V532-L551 HydrophobicContact CG1-CB 4.08Å; V532-L551 HydrophobicContact CG1-CD1 4.4Å |
| 533 | Y | 93.3 | Very high | 92.9 | Very high | 49 Ų | 49 | 38 Ų | 38 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 178.3 | -63.5 | -36.9 | 0 | 0 | 0 | 114.3 | L528 L535 L536 L551 H565 | L528-Y533 HydrophobicContact CB-CE2 4.26Å; L528-Y533 VanDerWaalsContact O-CD2 3.22Å; L528-Y533 WeakPolarHBondContact O-CD2 3.38Å; L528-Y533 VanDerWaalsContact O-CG 3.3Å; L528-Y533 PolarHBondContact O-N 3.38Å; Y533-L535 PolarHBondContact O-N 3.42Å; Y533-L536 HydrophobicContact CD1-CD1 4.02Å; Y533-L536 WeakPolarHBondContact O-CB 3.34Å; Y533-L536 PolarHBondContact O-N 3.25Å; Y533-L536 VanDerWaalsContact O-N 3.1Å; Y533-L551 HydrophobicContact CE1-CD1 3.76Å; Y533-H565 PolarHBondContact OH-CD2 3.15Å; Y533-H565 VanDerWaalsContact OH-CD2 3.23Å; Y533-H565 PolarHBondContact OH-NE2 3.29Å |
| 534 | P | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -32.5 | 177.5 | 12.7 | -20.8 | 0 | 0 | 0 | 112.8 | Y490 A493 K494 S529 I530 E537 H538 | Y490-P534 HydrophobicContact CD1-CB 3.79Å; Y490-P534 HydrophobicContact CD1-CG 4.48Å; Y490-P534 HydrophobicContact CD2-CB 3.79Å; Y490-P534 HydrophobicContact CD2-CG 3.62Å; Y490-P534 HydrophobicContact CE1-CB 3.78Å; Y490-P534 HydrophobicContact CE2-CB 3.78Å; Y490-P534 VanDerWaalsContact CE2-CD 3.43Å; Y490-P534 HydrophobicContact CE2-CG 3.81Å; Y490-P534 HydrophobicContact CG-CB 3.78Å; Y490-P534 HydrophobicContact CG-CG 3.98Å; Y490-P534 WeakPolarHBondContact O-CB 3.44Å; A493-P534 HydrophobicContact CB-CB 4.02Å; A493-P534 HydrophobicContact CB-CG 3.83Å; K494-P534 HydrophobicContact CB-CB 4.3Å; S529-P534 VanDerWaalsContact O-CD 3.29Å; S529-P534 WeakPolarHBondContact O-CD 3.36Å; I530-P534 VanDerWaalsContact C-CG 3.45Å; I530-P534 VanDerWaalsContact O-CG 3.27Å; I530-P534 WeakPolarHBondContact O-CG 3.4Å; P534-E537 PolarHBondContact O-N 3Å; P534-H538 PolarHBondContact O-N 3.45Å |
| 535 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77.2 | -16.5 | 177.2 | -70.5 | 173.4 | 0 | 0 | 0 | 114.2 | A493 M496 A501 L505 L531 V532 Y533 E537 H538 P543 R544 A547 | A493-L535 WeakPolarHBondContact O-CD2 3.41Å; M496-L535 HydrophobicContact CE-CD1 3.69Å; M496-L535 HydrophobicContact CE-CD2 3.93Å; M496-L535 HydrophobicContact CE-CG 4.25Å; A501-L535 HydrophobicContact CB-CD1 4.02Å; A501-L535 HydrophobicContact CB-CD2 3.76Å; L505-L535 HydrophobicContact CD1-CB 4.1Å; L505-L535 HydrophobicContact CD1-CD1 3.51Å; L505-L535 HydrophobicContact CD1-CG 4.4Å; L505-L535 HydrophobicContact CD2-CD1 3.96Å; L505-L535 HydrophobicContact CG-CD1 3.65Å; L531-L535 HydrophobicContact CD1-CD1 3.62Å; L531-L535 HydrophobicContact CG-CD1 3.96Å; L531-L535 VanDerWaalsContact O-CB 3.31Å; L531-L535 WeakPolarHBondContact O-CB 3.37Å; L531-L535 WeakPolarHBondContact O-CD1 3.28Å; L531-L535 WeakPolarHBondContact O-CG 3.38Å; L531-L535 PolarHBondContact O-N 3.47Å; V532-L535 PolarHBondContact O-N 3.38Å; Y533-L535 PolarHBondContact O-N 3.42Å; L535-E537 PolarHBondContact O-N 2.87Å; L535-H538 HydrophobicContact CD2-CB 4.31Å; L535-H538 WeakPolarHBondContact O-CB 3.38Å; L535-H538 PolarHBondContact O-N 3.28Å; L535-P543 HydrophobicContact CD2-CB 4.17Å; L535-R544 WeakPolarHBondContact O-CA 3.41Å; L535-R544 WeakPolarHBondContact O-CG 3.43Å; L535-A547 HydrophobicContact CB-CB 3.93Å |
| 536 | L | 92.5 | Very high | 93.4 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.4 | -28.6 | 165.9 | -67.1 | 172 | 0 | 0 | 0 | 111.8 | V532 Y533 R544 A547 M548 L551 V568 | V532-L536 PolarHBondContact O-N 3.31Å; V532-L536 VanDerWaalsContact O-N 3.13Å; Y533-L536 HydrophobicContact CD1-CD1 4.02Å; Y533-L536 WeakPolarHBondContact O-CB 3.34Å; Y533-L536 PolarHBondContact O-N 3.25Å; Y533-L536 VanDerWaalsContact O-N 3.1Å; L536-R544 PolarHBondContact O-NE 3.48Å; L536-A547 HydrophobicContact CD2-CB 3.69Å; L536-A547 HydrophobicContact CG-CB 3.93Å; L536-M548 HydrophobicContact CD2-CB 4.03Å; L536-M548 HydrophobicContact CD2-CE 3.91Å; L536-L551 HydrophobicContact CD1-CD2 4.34Å; L536-V568 HydrophobicContact CD1-CG1 4.06Å |
| 537 | E | 92.4 | Very high | 93.6 | Very high | 99 Ų | 99 | 37.3 Ų | 37.3 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 7.3 | 175.5 | -61.3 | -176.6 | -151.6 | 0 | 0 | 113.8 | Y490 K494 P534 L535 | Y490-E537 PolarHBondContact OH-OE1 2.99Å; K494-E537 HydrophobicContact CD-CB 4.39Å; K494-E537 IonicContact NZ-OE2 2.71Å; K494-E537 PolarHBondContact NZ-OE2 3.12Å; P534-E537 PolarHBondContact O-N 3Å; L535-E537 PolarHBondContact O-N 2.87Å |
| 538 | H | 95 | Very high | 93.6 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.046 | 19% | 0.193 | C | C | . | . | trans | -60.7 | 151 | -179.8 | -168.7 | -92.1 | 0 | 0 | 0 | 111.4 | K494 M496 P534 L535 E540 P543 R544 | K494-H538 PolarHBondContact O-CD2 3.38Å; K494-H538 VanDerWaalsContact O-CD2 3.29Å; M496-H538 PolarHBondContact O-NE2 3.23Å; P534-H538 PolarHBondContact O-N 3.45Å; L535-H538 HydrophobicContact CD2-CB 4.31Å; L535-H538 WeakPolarHBondContact O-CB 3.38Å; L535-H538 PolarHBondContact O-N 3.28Å; H538-E540 PolarHBondContact ND1-N 3.09Å; H538-E540 PolarHBondContact O-N 2.87Å; H538-P543 HydrophobicContact CB-CB 4.03Å; H538-R544 HydrophobicContact CB-CG 4.04Å; H538-R544 VanDerWaalsContact O-CD 3.23Å; H538-R544 WeakPolarHBondContact O-CD 3.43Å | ||
| 539 | S | 91.6 | Very high | 93.7 | Very high | 107 Ų | 107 | 40 Ų | 40 | 75% | 0.748 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -68.5 | -34.3 | -177.7 | 56.1 | 0 | 0 | 0 | 0 | 113 | ||
| 540 | E | 92.7 | Very high | 93.8 | Very high | 106 Ų | 106 | 37.3 Ų | 37.3 | 50% | 0.495 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -95.3 | 153.9 | -179.3 | -60 | -169.4 | -163.8 | 0 | 0 | 113.8 | A498 H538 R544 | A498-E540 VanDerWaalsContact CB-OE2 3.32Å; A498-E540 WeakPolarHBondContact CB-OE2 3.41Å; H538-E540 PolarHBondContact ND1-N 3.09Å; H538-E540 PolarHBondContact O-N 2.87Å; E540-R544 WeakPolarHBondContact O-CD 3.31Å; E540-R544 VanDerWaalsContact O-CG 3.23Å; E540-R544 WeakPolarHBondContact O-CG 3.32Å |
| 541 | Q | 90.5 | Very high | 93.7 | Very high | 125 Ų | 125 | 37.2 Ų | 37.2 | 58% | 0.584 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -71.6 | -35.5 | -173.7 | -63.1 | -175.4 | -18 | 0 | 0 | 114.1 | R544 F545 Y579 | Q541-R544 PolarHBondContact O-N 3Å; Q541-F545 WeakPolarHBondContact O-CB 3.33Å; Q541-F545 PolarHBondContact O-N 2.78Å; Q541-Y579 WeakPolarHBondContact CA-OH 3.45Å; Q541-Y579 HydrophobicContact CB-CE1 4.45Å; Q541-Y579 HydrophobicContact CB-CE2 3.89Å; Q541-Y579 WeakPolarHBondContact CB-OH 3.39Å; Q541-Y579 HydrophobicContact CG-CE1 4.06Å; Q541-Y579 HydrophobicContact CG-CE2 4.39Å; Q541-Y579 WeakPolarHBondContact CG-OH 3.36Å |
| 542 | V | 91.9 | Very high | 93.4 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 38% | 0.382 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.5 | -52.4 | -173.3 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | E502 R544 F545 H546 | E502-V542 HydrophobicContact CB-CG1 4.28Å; E502-V542 HydrophobicContact CG-CG1 4.26Å; E502-V542 WeakPolarHBondContact OE2-CG1 3.46Å; V542-R544 VanDerWaalsContact C-N 3.27Å; V542-R544 PolarHBondContact O-N 3.48Å; V542-F545 WeakPolarHBondContact O-CB 2.98Å; V542-F545 PolarHBondContact O-N 3Å; V542-F545 VanDerWaalsContact O-N 3.1Å; V542-H546 PolarHBondContact O-CD2 3.34Å; V542-H546 VanDerWaalsContact O-CD2 3.29Å; V542-H546 PolarHBondContact O-N 3.2Å; V542-H546 VanDerWaalsContact O-N 3.07Å |
| 543 | P | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -37.5 | 177 | -27.8 | 38.8 | 0 | 0 | 0 | 113.2 | A498 A501 L505 L535 H538 F545 H546 A547 | A498-P543 HydrophobicContact CB-CG 3.82Å; A501-P543 HydrophobicContact CB-CB 3.87Å; A501-P543 HydrophobicContact CB-CG 3.9Å; L505-P543 VanDerWaalsContact CD1-O 3.3Å; L505-P543 WeakPolarHBondContact CD1-O 3.43Å; L535-P543 HydrophobicContact CD2-CB 4.17Å; H538-P543 HydrophobicContact CB-CB 4.03Å; P543-F545 VanDerWaalsContact C-N 3.33Å; P543-F545 PolarHBondContact O-N 2.99Å; P543-H546 PolarHBondContact O-N 3.32Å; P543-A547 VanDerWaalsContact O-CB 3.27Å; P543-A547 WeakPolarHBondContact O-CB 3.4Å; P543-A547 PolarHBondContact O-N 2.65Å |
| 544 | R | 93.9 | Very high | 92.9 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.6 | -57.5 | 173.1 | 76 | -160.4 | -11.2 | 111.7 | L535 L536 H538 E540 Q541 V542 A547 M548 D576 L580 | L535-R544 WeakPolarHBondContact O-CA 3.41Å; L535-R544 WeakPolarHBondContact O-CG 3.43Å; L536-R544 PolarHBondContact O-NE 3.48Å; H538-R544 HydrophobicContact CB-CG 4.04Å; H538-R544 VanDerWaalsContact O-CD 3.23Å; H538-R544 WeakPolarHBondContact O-CD 3.43Å; E540-R544 WeakPolarHBondContact O-CD 3.31Å; E540-R544 VanDerWaalsContact O-CG 3.23Å; E540-R544 WeakPolarHBondContact O-CG 3.32Å; Q541-R544 PolarHBondContact O-N 3Å; V542-R544 VanDerWaalsContact C-N 3.27Å; V542-R544 PolarHBondContact O-N 3.48Å; R544-A547 PolarHBondContact O-N 2.92Å; R544-M548 WeakPolarHBondContact O-CB 3.09Å; R544-M548 PolarHBondContact O-N 3.4Å; R544-D576 IonicContact CZ-OD1 2.98Å; R544-D576 IonicContact NH2-OD1 3.73Å; R544-D576 PolarHBondContact NH2-OD1 3.28Å; R544-D576 IonicContact NH2-OD2 2.63Å; R544-L580 HydrophobicContact CB-CD1 4.07Å; R544-L580 HydrophobicContact CB-CD2 4.34Å |
| 545 | F | 92.1 | Very high | 92.5 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 33% | 0.325 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.6 | -49.9 | 176.1 | 178.1 | -89.3 | 0 | 0 | 0 | 111 | Q541 V542 P543 A547 M548 R549 Y579 L580 L583 | Q541-F545 WeakPolarHBondContact O-CB 3.33Å; Q541-F545 PolarHBondContact O-N 2.78Å; V542-F545 WeakPolarHBondContact O-CB 2.98Å; V542-F545 PolarHBondContact O-N 3Å; V542-F545 VanDerWaalsContact O-N 3.1Å; P543-F545 VanDerWaalsContact C-N 3.33Å; P543-F545 PolarHBondContact O-N 2.99Å; F545-A547 PolarHBondContact O-N 3.08Å; F545-M548 PolarHBondContact O-N 3.16Å; F545-R549 PolarHBondContact O-N 3.12Å; F545-Y579 HydrophobicContact CB-CE2 4.4Å; F545-Y579 HydrophobicContact CD2-CD2 4.36Å; F545-L580 HydrophobicContact CB-CD2 4.43Å; F545-L583 HydrophobicContact CD1-CD2 4.44Å; F545-L583 HydrophobicContact CD2-CD2 3.73Å; F545-L583 HydrophobicContact CE1-CD2 4.42Å; F545-L583 HydrophobicContact CE2-CB 4.34Å; F545-L583 HydrophobicContact CE2-CD2 3.73Å; F545-L583 HydrophobicContact CE2-CG 4.47Å; F545-L583 HydrophobicContact CG-CD2 4.1Å; F545-L583 HydrophobicContact CZ-CD2 4.09Å; F545-L583 WeakPolarHBondContact O-CD2 3.29Å |
| 546 | H | 93.9 | Very high | 92 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.3 | -36 | 179 | -74.9 | -83.3 | 0 | 0 | 0 | 112.4 | N441 E502 L505 C506 V542 P543 R549 T550 | N441-H546 PolarHBondContact ND2-CE1 3.1Å; N441-H546 VanDerWaalsContact ND2-CE1 3.27Å; E502-H546 IonicContact OE1-CD2 2.72Å; E502-H546 IonicContact OE1-CE1 3.28Å; E502-H546 IonicContact OE1-NE2 2.83Å; E502-H546 PolarHBondContact OE1-NE2 3.35Å; L505-H546 HydrophobicContact CB-CB 3.84Å; L505-H546 HydrophobicContact CD1-CB 3.78Å; L505-H546 HydrophobicContact CG-CB 4.48Å; C506-H546 PolarHBondContact SG-CE1 3.38Å; C506-H546 PolarHBondContact SG-ND1 3.04Å; V542-H546 PolarHBondContact O-CD2 3.34Å; V542-H546 VanDerWaalsContact O-CD2 3.29Å; V542-H546 PolarHBondContact O-N 3.2Å; V542-H546 VanDerWaalsContact O-N 3.07Å; P543-H546 PolarHBondContact O-N 3.32Å; H546-R549 PolarHBondContact CE1-NH1 3.46Å; H546-R549 PolarHBondContact ND1-NH1 3.36Å; H546-R549 PolarHBondContact ND1-NH2 3.21Å; H546-R549 PolarHBondContact O-N 3.03Å; H546-T550 WeakPolarHBondContact O-CB 3.5Å; H546-T550 PolarHBondContact O-N 2.85Å; H546-T550 PolarHBondContact O-OG1 3.14Å |
| 547 | A | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | L505 V532 L535 L536 P543 R544 F545 R549 T550 L551 | L505-A547 HydrophobicContact CD1-CB 3.93Å; L505-A547 HydrophobicContact CD2-CB 4.23Å; V532-A547 HydrophobicContact CG1-CB 4.35Å; V532-A547 WeakPolarHBondContact CG1-O 3.11Å; L535-A547 HydrophobicContact CB-CB 3.93Å; L536-A547 HydrophobicContact CD2-CB 3.69Å; L536-A547 HydrophobicContact CG-CB 3.93Å; P543-A547 VanDerWaalsContact O-CB 3.27Å; P543-A547 WeakPolarHBondContact O-CB 3.4Å; P543-A547 PolarHBondContact O-N 2.65Å; R544-A547 PolarHBondContact O-N 2.92Å; F545-A547 PolarHBondContact O-N 3.08Å; A547-R549 VanDerWaalsContact C-N 3.33Å; A547-R549 PolarHBondContact O-N 3.13Å; A547-T550 PolarHBondContact O-N 3.25Å; A547-L551 WeakPolarHBondContact O-CB 3.47Å; A547-L551 PolarHBondContact O-N 3.23Å |
| 548 | M | 93.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 175.4 | -174.6 | 61.2 | 71.1 | 0 | 0 | 111.6 | L536 R544 F545 L551 A552 L569 A572 L580 L583 A584 | L536-M548 HydrophobicContact CD2-CB 4.03Å; L536-M548 HydrophobicContact CD2-CE 3.91Å; R544-M548 WeakPolarHBondContact O-CB 3.09Å; R544-M548 PolarHBondContact O-N 3.4Å; F545-M548 PolarHBondContact O-N 3.16Å; M548-L551 PolarHBondContact O-N 3.37Å; M548-L551 HydrophobicContact SD-CD2 4.49Å; M548-A552 WeakPolarHBondContact O-CB 3.45Å; M548-A552 PolarHBondContact O-N 3.35Å; M548-L569 HydrophobicContact SD-CD2 3.52Å; M548-L569 VanDerWaalsContact SD-CD2 3.52Å; M548-A572 HydrophobicContact CE-CB 3.3Å; M548-A572 HydrophobicContact SD-CB 4.42Å; M548-L580 HydrophobicContact CB-CD2 4.05Å; M548-L580 HydrophobicContact CG-CD2 4.49Å; M548-L583 HydrophobicContact CB-CD2 3.82Å; M548-L583 HydrophobicContact CB-CG 4.47Å; M548-L583 HydrophobicContact CG-CB 4.42Å; M548-L583 HydrophobicContact CG-CD2 3.92Å; M548-L583 HydrophobicContact CG-CG 4.02Å; M548-A584 HydrophobicContact CE-CB 4.42Å; M548-A584 HydrophobicContact CG-CB 4.39Å; M548-A584 HydrophobicContact SD-CB 4.04Å |
| 549 | R | 92.7 | Very high | 90.1 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -50 | 176.3 | -168.4 | 179 | 73.1 | -166.9 | 4.5 | 110.8 | C506 F545 H546 A547 L551 A552 I553 L583 | C506-R549 PolarHBondContact SG-NH2 2.75Å; F545-R549 PolarHBondContact O-N 3.12Å; H546-R549 PolarHBondContact CE1-NH1 3.46Å; H546-R549 PolarHBondContact ND1-NH1 3.36Å; H546-R549 PolarHBondContact ND1-NH2 3.21Å; H546-R549 PolarHBondContact O-N 3.03Å; A547-R549 VanDerWaalsContact C-N 3.33Å; A547-R549 PolarHBondContact O-N 3.13Å; R549-L551 VanDerWaalsContact C-N 3.3Å; R549-L551 PolarHBondContact O-N 3.02Å; R549-A552 PolarHBondContact O-N 3.48Å; R549-A552 VanDerWaalsContact O-N 3.16Å; R549-I553 WeakPolarHBondContact O-CG1 3.39Å; R549-I553 PolarHBondContact O-N 3.32Å; R549-L583 HydrophobicContact CB-CD2 3.97Å |
| 550 | T | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | L505 L508 C509 F512 V532 H546 A547 Y554 | L505-T550 PolarHBondContact O-OG1 2.9Å; L505-T550 VanDerWaalsContact O-OG1 3.09Å; L508-T550 HydrophobicContact CB-CG2 4.4Å; L508-T550 HydrophobicContact CD2-CG2 4.08Å; L508-T550 HydrophobicContact CG-CG2 4.08Å; C509-T550 HydrophobicContact CB-CG2 4.35Å; C509-T550 WeakPolarHBondContact CB-OG1 3.36Å; F512-T550 HydrophobicContact CD2-CG2 3.78Å; F512-T550 HydrophobicContact CE2-CG2 3.59Å; V532-T550 HydrophobicContact CG2-CG2 3.97Å; H546-T550 WeakPolarHBondContact O-CB 3.5Å; H546-T550 PolarHBondContact O-N 2.85Å; H546-T550 PolarHBondContact O-OG1 3.14Å; A547-T550 PolarHBondContact O-N 3.25Å; T550-Y554 WeakPolarHBondContact O-CB 3.21Å; T550-Y554 PolarHBondContact O-N 2.93Å |
| 551 | L | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 173.9 | -174 | 73.8 | 0 | 0 | 0 | 111.9 | L528 V532 Y533 L536 A547 M548 R549 Y554 A555 H565 V568 | L528-L551 HydrophobicContact CD2-CD1 4.39Å; V532-L551 HydrophobicContact CG1-CB 4.08Å; V532-L551 HydrophobicContact CG1-CD1 4.4Å; Y533-L551 HydrophobicContact CE1-CD1 3.76Å; L536-L551 HydrophobicContact CD1-CD2 4.34Å; A547-L551 WeakPolarHBondContact O-CB 3.47Å; A547-L551 PolarHBondContact O-N 3.23Å; M548-L551 PolarHBondContact O-N 3.37Å; M548-L551 HydrophobicContact SD-CD2 4.49Å; R549-L551 VanDerWaalsContact C-N 3.3Å; R549-L551 PolarHBondContact O-N 3.02Å; L551-Y554 PolarHBondContact O-N 2.81Å; L551-A555 WeakPolarHBondContact O-CB 3.33Å; L551-A555 PolarHBondContact O-N 3.4Å; L551-H565 HydrophobicContact CD1-CB 4.47Å; L551-H565 VanDerWaalsContact CD1-CD2 3.47Å; L551-H565 WeakPolarHBondContact CD1-CD2 3.43Å; L551-H565 HydrophobicContact CG-CB 4.48Å; L551-V568 HydrophobicContact CD2-CB 3.99Å; L551-V568 HydrophobicContact CD2-CG1 3.52Å |
| 552 | A | 89.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M548 R549 A555 L556 L569 | M548-A552 WeakPolarHBondContact O-CB 3.45Å; M548-A552 PolarHBondContact O-N 3.35Å; R549-A552 PolarHBondContact O-N 3.48Å; R549-A552 VanDerWaalsContact O-N 3.16Å; A552-A555 PolarHBondContact O-N 3.18Å; A552-L556 WeakPolarHBondContact O-CG 3.45Å; A552-L556 PolarHBondContact O-N 3.24Å; A552-L569 HydrophobicContact CB-CD2 4.38Å |
| 553 | I | 89.8 | Confident | 87.2 | Confident | 44 Ų | 44 | 35.9 Ų | 35.9 | 23% | 0.226 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 175.5 | -63.4 | -58.8 | 0 | 0 | 0 | 111.2 | F512 R549 A555 L556 E557 | F512-I553 HydrophobicContact CB-CG2 4.02Å; R549-I553 WeakPolarHBondContact O-CG1 3.39Å; R549-I553 PolarHBondContact O-N 3.32Å; I553-A555 VanDerWaalsContact C-N 3.31Å; I553-A555 PolarHBondContact O-N 3.33Å; I553-L556 HydrophobicContact CD1-CD1 4.27Å; I553-L556 WeakPolarHBondContact O-CB 3.49Å; I553-L556 PolarHBondContact O-N 3.4Å; I553-L556 VanDerWaalsContact O-N 3.14Å; I553-E557 PolarHBondContact O-N 2.8Å |
| 554 | Y | 89.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.7 | -47.3 | 174.9 | 179.1 | -76.1 | 0 | 0 | 0 | 111.6 | F512 L520 L528 T550 L551 L556 E557 S558 Y561 H565 | F512-Y554 HydrophobicContact CD1-CD2 4.27Å; F512-Y554 HydrophobicContact CD2-CD2 4.03Å; F512-Y554 HydrophobicContact CD2-CG 4.43Å; F512-Y554 AromaticContact CE1-CD2 3.91Å; F512-Y554 HydrophobicContact CE1-CD2 3.91Å; F512-Y554 HydrophobicContact CE1-CE2 4.41Å; F512-Y554 AromaticContact CE2-CD2 3.62Å; F512-Y554 HydrophobicContact CE2-CD2 3.62Å; F512-Y554 HydrophobicContact CE2-CG 4.21Å; F512-Y554 HydrophobicContact CG-CD2 4.34Å; F512-Y554 AromaticContact CZ-CD2 3.56Å; F512-Y554 HydrophobicContact CZ-CD2 3.56Å; F512-Y554 HydrophobicContact CZ-CE2 4.23Å; L520-Y554 HydrophobicContact CD1-CD2 4.15Å; L520-Y554 HydrophobicContact CD1-CE1 4.19Å; L520-Y554 HydrophobicContact CD1-CE2 3.3Å; L520-Y554 VanDerWaalsContact CD1-OH 3.26Å; L520-Y554 WeakPolarHBondContact CD1-OH 3.42Å; L520-Y554 HydrophobicContact CD2-CE2 4.32Å; L520-Y554 HydrophobicContact CG-CE2 4.4Å; L528-Y554 HydrophobicContact CD1-CD1 4.02Å; L528-Y554 HydrophobicContact CD1-CD2 4.11Å; L528-Y554 HydrophobicContact CD1-CE1 3.68Å; L528-Y554 HydrophobicContact CD1-CE2 3.66Å; L528-Y554 HydrophobicContact CD1-CG 4.24Å; L528-Y554 VanDerWaalsContact CD1-CZ 3.44Å; L528-Y554 HydrophobicContact CD2-CD1 4.36Å; L528-Y554 HydrophobicContact CD2-CD2 3.91Å; L528-Y554 HydrophobicContact CD2-CE2 4.26Å; L528-Y554 HydrophobicContact CD2-CG 3.93Å; L528-Y554 HydrophobicContact CG-CD2 4.2Å; L528-Y554 HydrophobicContact CG-CE2 4.04Å; T550-Y554 WeakPolarHBondContact O-CB 3.21Å; T550-Y554 PolarHBondContact O-N 2.93Å; L551-Y554 PolarHBondContact O-N 2.81Å; Y554-L556 PolarHBondContact O-N 3.41Å; Y554-E557 PolarHBondContact O-N 2.75Å; Y554-S558 PolarHBondContact O-N 2.91Å; Y554-Y561 HydrophobicContact CE1-CD2 4.04Å; Y554-Y561 VanDerWaalsContact OH-CD2 3.28Å; Y554-Y561 WeakPolarHBondContact OH-CD2 3.33Å; Y554-Y561 WeakPolarHBondContact OH-CE2 3.2Å; Y554-H565 AromaticContact CD1-CE1 3.21Å; Y554-H565 WeakPolarHBondContact CD1-CE1 3.32Å; Y554-H565 AromaticContact CD1-ND1 3.6Å; Y554-H565 AromaticContact CE1-CE1 3.35Å; Y554-H565 WeakPolarHBondContact CE1-CE1 3.49Å; Y554-H565 AromaticContact CE1-ND1 3.99Å |
| 555 | A | 87.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.4 | -29.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L551 A552 I553 E557 H565 L591 Y595 | L551-A555 WeakPolarHBondContact O-CB 3.33Å; L551-A555 PolarHBondContact O-N 3.4Å; A552-A555 PolarHBondContact O-N 3.18Å; I553-A555 VanDerWaalsContact C-N 3.31Å; I553-A555 PolarHBondContact O-N 3.33Å; A555-E557 VanDerWaalsContact C-N 3.33Å; A555-H565 HydrophobicContact CB-CB 3.73Å; A555-L591 HydrophobicContact CB-CD1 3.95Å; A555-L591 HydrophobicContact CB-CD2 3.73Å; A555-L591 HydrophobicContact CB-CG 4.42Å; A555-L591 WeakPolarHBondContact O-CD2 3.19Å; A555-Y595 WeakPolarHBondContact O-CE2 3.29Å; A555-Y595 PolarHBondContact O-OH 3.06Å |
| 556 | L | 85.8 | Confident | 85.6 | Confident | 24 Ų | 24 | 34.2 Ų | 34.2 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 171.2 | -75.4 | 165.9 | 0 | 0 | 0 | 110.8 | A552 I553 Y554 D590 L591 K594 Y595 | A552-L556 WeakPolarHBondContact O-CG 3.45Å; A552-L556 PolarHBondContact O-N 3.24Å; I553-L556 HydrophobicContact CD1-CD1 4.27Å; I553-L556 WeakPolarHBondContact O-CB 3.49Å; I553-L556 PolarHBondContact O-N 3.4Å; I553-L556 VanDerWaalsContact O-N 3.14Å; Y554-L556 PolarHBondContact O-N 3.41Å; L556-D590 HydrophobicContact CD1-CB 4Å; L556-D590 HydrophobicContact CD2-CB 3.82Å; L556-D590 HydrophobicContact CG-CB 4.41Å; L556-L591 HydrophobicContact CD2-CD2 3.82Å; L556-L591 HydrophobicContact CD2-CG 4.41Å; L556-L591 HydrophobicContact CG-CD2 3.95Å; L556-K594 HydrophobicContact CD2-CB 4.29Å; L556-K594 HydrophobicContact CD2-CD 4.23Å; L556-K594 VanDerWaalsContact O-CD 3.26Å; L556-K594 WeakPolarHBondContact O-CD 3.34Å; L556-K594 WeakPolarHBondContact O-CE 3.48Å; L556-K594 PolarHBondContact O-NZ 3.28Å; L556-Y595 PolarHBondContact O-OH 3.17Å |
| 557 | E | 81.3 | Confident | 85.1 | Confident | 66 Ų | 66 | 39 Ų | 39 | 31% | 0.308 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -86.4 | -20.8 | -175.1 | -59.7 | -48.6 | 134.1 | 0 | 0 | 115.2 | T515 I553 Y554 A555 K594 | T515-E557 WeakPolarHBondContact OG1-CB 3.39Å; I553-E557 PolarHBondContact O-N 2.8Å; Y554-E557 PolarHBondContact O-N 2.75Å; A555-E557 VanDerWaalsContact C-N 3.33Å; E557-K594 IonicContact OE2-NZ 2.62Å |
| 558 | S | 80.3 | Confident | 84.6 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | trans | -133.3 | 129.2 | -177.3 | 179.6 | 0 | 0 | 0 | 0 | 114.5 | L520 Y554 E560 | L520-S558 VanDerWaalsContact CD1-CB 3.46Å; Y554-S558 PolarHBondContact O-N 2.91Å; S558-E560 PolarHBondContact OG-N 3.24Å | ||
| 559 | E | 78.1 | Confident | 84.3 | Confident | 137 Ų | 137 | 40.8 Ų | 40.8 | 64% | 0.64 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -76.4 | -19.3 | 174.9 | -69.5 | -176.2 | -172.3 | 0 | 0 | 113.6 | Y561 L562 Y595 | E559-Y561 VanDerWaalsContact C-N 3.27Å; E559-Y561 PolarHBondContact O-N 2.94Å; E559-Y561 VanDerWaalsContact O-N 3.15Å; E559-L562 WeakPolarHBondContact O-CB 3.41Å; E559-L562 PolarHBondContact O-N 3.19Å; E559-L562 VanDerWaalsContact O-N 3.1Å; E559-Y595 HydrophobicContact CG-CD1 4.09Å; E559-Y595 HydrophobicContact CG-CE1 3.35Å; E559-Y595 WeakPolarHBondContact OE1-CE1 3.15Å |
| 560 | E | 74.3 | Confident | 83.8 | Confident | 106 Ų | 106 | 38.1 Ų | 38.1 | 50% | 0.495 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -34.6 | -167.3 | -172.6 | 176.4 | -171.7 | 0 | 0 | 113.8 | K525 S558 | K525-E560 WeakPolarHBondContact CE-OE2 3.41Å; K525-E560 IonicContact NZ-OE1 3.79Å; K525-E560 PolarHBondContact NZ-OE1 3.01Å; K525-E560 IonicContact NZ-OE2 3.24Å; K525-E560 PolarHBondContact NZ-OE2 3.21Å; S558-E560 PolarHBondContact OG-N 3.24Å |
| 561 | Y | 74.8 | Confident | 83.2 | Confident | 76 Ų | 76 | 40.4 Ų | 40.4 | 30% | 0.298 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 17.3 | 179.5 | -59.7 | -76.6 | 0 | 0 | 0 | 112.4 | K525 L528 Y554 E559 Q563 I564 H565 | K525-Y561 HydrophobicContact CD-CE2 4.32Å; K525-Y561 HydrophobicContact CG-CE2 4.47Å; L528-Y561 HydrophobicContact CD1-CD2 4.33Å; Y554-Y561 HydrophobicContact CE1-CD2 4.04Å; Y554-Y561 VanDerWaalsContact OH-CD2 3.28Å; Y554-Y561 WeakPolarHBondContact OH-CD2 3.33Å; Y554-Y561 WeakPolarHBondContact OH-CE2 3.2Å; E559-Y561 VanDerWaalsContact C-N 3.27Å; E559-Y561 PolarHBondContact O-N 2.94Å; E559-Y561 VanDerWaalsContact O-N 3.15Å; Y561-Q563 VanDerWaalsContact C-N 3.29Å; Y561-Q563 PolarHBondContact O-N 3.3Å; Y561-I564 HydrophobicContact CD1-CD1 4.1Å; Y561-I564 PolarHBondContact O-N 3.3Å; Y561-H565 WeakPolarHBondContact CB-CE1 3.41Å; Y561-H565 WeakPolarHBondContact CB-NE2 3.49Å; Y561-H565 PolarHBondContact O-N 3.46Å |
| 562 | L | 78.2 | Confident | 82.9 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.1 | -42.8 | -171.2 | -173.8 | 63.4 | 0 | 0 | 0 | 112.7 | E559 H565 W566 L591 Y595 F600 | E559-L562 WeakPolarHBondContact O-CB 3.41Å; E559-L562 PolarHBondContact O-N 3.19Å; E559-L562 VanDerWaalsContact O-N 3.1Å; L562-H565 PolarHBondContact O-N 3.26Å; L562-W566 WeakPolarHBondContact O-CB 3.47Å; L562-W566 PolarHBondContact O-N 3.31Å; L562-L591 HydrophobicContact CD1-CD1 4.41Å; L562-L591 HydrophobicContact CD1-CD2 3.87Å; L562-Y595 HydrophobicContact CD1-CD2 3.82Å; L562-Y595 HydrophobicContact CD1-CE2 3.65Å; L562-Y595 HydrophobicContact CD2-CD1 4.17Å; L562-Y595 HydrophobicContact CD2-CD2 3.86Å; L562-Y595 HydrophobicContact CD2-CE1 4.47Å; L562-Y595 HydrophobicContact CD2-CE2 4.14Å; L562-Y595 HydrophobicContact CD2-CG 3.84Å; L562-F600 HydrophobicContact CD1-CE1 3.45Å; L562-F600 VanDerWaalsContact CD1-CE1 3.45Å; L562-F600 HydrophobicContact CD1-CZ 3.92Å; L562-F600 HydrophobicContact CD2-CD1 4.44Å; L562-F600 HydrophobicContact CD2-CE1 3.71Å; L562-F600 HydrophobicContact CD2-CZ 3.97Å; L562-F600 HydrophobicContact CG-CD1 4.12Å; L562-F600 HydrophobicContact CG-CE1 3.38Å; L562-F600 HydrophobicContact CG-CZ 4.07Å |
| 563 | Q | 79.1 | Confident | 82.5 | Confident | 69 Ų | 69 | 40.6 Ų | 40.6 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.9 | -38.5 | 178.8 | -62.7 | -58 | -26.9 | 0 | 0 | 112.8 | Y561 R567 S599 | Y561-Q563 VanDerWaalsContact C-N 3.29Å; Y561-Q563 PolarHBondContact O-N 3.3Å; Q563-R567 VanDerWaalsContact O-CG 3.25Å; Q563-R567 WeakPolarHBondContact O-CG 3.24Å; Q563-R567 PolarHBondContact O-N 3.39Å; Q563-R567 VanDerWaalsContact O-N 3.12Å; Q563-S599 PolarHBondContact NE2-O 2.87Å |
| 564 | I | 81.1 | Confident | 81.8 | Confident | 87 Ų | 87 | 40.9 Ų | 40.9 | 45% | 0.446 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.1 | -48.5 | 177.9 | -68 | 164.6 | 0 | 0 | 0 | 109 | Y561 W566 R567 V568 | Y561-I564 HydrophobicContact CD1-CD1 4.1Å; Y561-I564 PolarHBondContact O-N 3.3Å; I564-W566 PolarHBondContact O-N 2.87Å; I564-R567 PolarHBondContact O-N 3Å; I564-V568 WeakPolarHBondContact O-CG2 3.43Å; I564-V568 PolarHBondContact O-N 3.31Å |
| 565 | H | 84.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -40.4 | -178.9 | -60.3 | 165.1 | 0 | 0 | 0 | 112.1 | Y533 L551 Y554 A555 Y561 L562 R567 V568 L569 | Y533-H565 PolarHBondContact OH-CD2 3.15Å; Y533-H565 VanDerWaalsContact OH-CD2 3.23Å; Y533-H565 PolarHBondContact OH-NE2 3.29Å; L551-H565 HydrophobicContact CD1-CB 4.47Å; L551-H565 VanDerWaalsContact CD1-CD2 3.47Å; L551-H565 WeakPolarHBondContact CD1-CD2 3.43Å; L551-H565 HydrophobicContact CG-CB 4.48Å; Y554-H565 AromaticContact CD1-CE1 3.21Å; Y554-H565 WeakPolarHBondContact CD1-CE1 3.32Å; Y554-H565 AromaticContact CD1-ND1 3.6Å; Y554-H565 AromaticContact CE1-CE1 3.35Å; Y554-H565 WeakPolarHBondContact CE1-CE1 3.49Å; Y554-H565 AromaticContact CE1-ND1 3.99Å; A555-H565 HydrophobicContact CB-CB 3.73Å; Y561-H565 WeakPolarHBondContact CB-CE1 3.41Å; Y561-H565 WeakPolarHBondContact CB-NE2 3.49Å; Y561-H565 PolarHBondContact O-N 3.46Å; L562-H565 PolarHBondContact O-N 3.26Å; H565-R567 VanDerWaalsContact C-N 3.33Å; H565-R567 PolarHBondContact O-N 2.84Å; H565-V568 PolarHBondContact O-N 3.12Å; H565-L569 VanDerWaalsContact O-CG 3.29Å; H565-L569 WeakPolarHBondContact O-CG 3.39Å; H565-L569 PolarHBondContact O-N 3.4Å |
| 566 | W | 82.7 | Confident | 80.5 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.8 | -46.9 | 172.2 | 177.4 | -103.4 | 0 | 0 | 0 | 112.2 | L562 I564 V568 L569 Q570 I588 L591 F597 F600 L636 | L562-W566 WeakPolarHBondContact O-CB 3.47Å; L562-W566 PolarHBondContact O-N 3.31Å; I564-W566 PolarHBondContact O-N 2.87Å; W566-V568 PolarHBondContact O-N 2.92Å; W566-L569 PolarHBondContact O-N 3.39Å; W566-Q570 HydrophobicContact CD2-CG 4.48Å; W566-Q570 WeakPolarHBondContact O-CB 3.38Å; W566-Q570 WeakPolarHBondContact O-CG 3.35Å; W566-Q570 PolarHBondContact O-N 2.89Å; W566-I588 HydrophobicContact CE3-CG1 4.23Å; W566-I588 HydrophobicContact CH2-CB 4.42Å; W566-I588 HydrophobicContact CH2-CG1 4.49Å; W566-I588 HydrophobicContact CH2-CG2 3.56Å; W566-I588 HydrophobicContact CZ3-CB 4.01Å; W566-I588 HydrophobicContact CZ3-CG1 4.01Å; W566-I588 HydrophobicContact CZ3-CG2 3.62Å; W566-L591 HydrophobicContact CE3-CB 4.43Å; W566-L591 HydrophobicContact CE3-CD1 4.25Å; W566-L591 HydrophobicContact CZ3-CB 4.36Å; W566-F597 HydrophobicContact CH2-CE2 4.43Å; W566-F600 HydrophobicContact CB-CD1 3.63Å; W566-F600 HydrophobicContact CB-CE1 4.12Å; W566-F600 HydrophobicContact CD2-CB 3.67Å; W566-F600 AromaticContact CD2-CD1 3.34Å; W566-F600 HydrophobicContact CD2-CD1 3.34Å; W566-F600 HydrophobicContact CD2-CD2 4.39Å; W566-F600 HydrophobicContact CD2-CE1 4.01Å; W566-F600 AromaticContact CD2-CG 3.55Å; W566-F600 HydrophobicContact CD2-CG 3.55Å; W566-F600 AromaticContact CE2-CG 3.75Å; W566-F600 HydrophobicContact CE3-CB 4.27Å; W566-F600 AromaticContact CE3-CD1 3.43Å; W566-F600 HydrophobicContact CE3-CD1 3.43Å; W566-F600 VanDerWaalsContact CE3-CD1 3.43Å; W566-F600 HydrophobicContact CE3-CD2 4.14Å; W566-F600 AromaticContact CE3-CE1 3.62Å; W566-F600 HydrophobicContact CE3-CE1 3.62Å; W566-F600 HydrophobicContact CE3-CE2 4.37Å; W566-F600 AromaticContact CE3-CG 3.69Å; W566-F600 HydrophobicContact CE3-CG 3.69Å; W566-F600 HydrophobicContact CE3-CZ 4.14Å; W566-F600 HydrophobicContact CG-CB 3.92Å; W566-F600 AromaticContact CG-CD1 3.44Å; W566-F600 HydrophobicContact CG-CD1 3.44Å; W566-F600 VanDerWaalsContact CG-CD1 3.44Å; W566-F600 HydrophobicContact CG-CE1 4.24Å; W566-F600 AromaticContact CG-CG 3.97Å; W566-F600 HydrophobicContact CG-CG 3.97Å; W566-F600 HydrophobicContact CH2-CB 4.32Å; W566-F600 HydrophobicContact CH2-CD2 4.11Å; W566-F600 HydrophobicContact CH2-CG 4.13Å; W566-F600 HydrophobicContact CZ2-CB 3.75Å; W566-F600 HydrophobicContact CZ2-CD2 4.39Å; W566-F600 HydrophobicContact CZ2-CG 4.04Å; W566-F600 HydrophobicContact CZ3-CD1 4.13Å; W566-F600 AromaticContact CZ3-CD2 3.99Å; W566-F600 HydrophobicContact CZ3-CD2 3.99Å; W566-F600 HydrophobicContact CZ3-CE1 4.25Å; W566-F600 HydrophobicContact CZ3-CE2 4.2Å; W566-F600 AromaticContact CZ3-CG 3.97Å; W566-F600 HydrophobicContact CZ3-CG 3.97Å; W566-F600 HydrophobicContact CZ3-CZ 4.33Å; W566-L636 HydrophobicContact CH2-CD2 3.53Å; W566-L636 HydrophobicContact CZ2-CD2 3.36Å |
| 567 | R | 82.6 | Confident | 79.8 | Confident | 107 Ų | 107 | 51.7 Ų | 51.7 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 177.5 | -71.6 | 171.9 | -179.5 | 179 | 0.5 | 112.5 | Q563 I564 H565 S571 D602 L631 | Q563-R567 VanDerWaalsContact O-CG 3.25Å; Q563-R567 WeakPolarHBondContact O-CG 3.24Å; Q563-R567 PolarHBondContact O-N 3.39Å; Q563-R567 VanDerWaalsContact O-N 3.12Å; I564-R567 PolarHBondContact O-N 3Å; H565-R567 VanDerWaalsContact C-N 3.33Å; H565-R567 PolarHBondContact O-N 2.84Å; R567-S571 WeakPolarHBondContact O-CB 3.48Å; R567-S571 PolarHBondContact O-N 3.39Å; R567-S571 PolarHBondContact O-OG 3.12Å; R567-D602 IonicContact CZ-OD1 3.74Å; R567-D602 IonicContact NH2-OD1 2.72Å; R567-D602 PolarHBondContact NH2-OD1 3.39Å; R567-D602 IonicContact NH2-OD2 3.69Å; R567-L631 HydrophobicContact CB-CD1 4.19Å; R567-L631 HydrophobicContact CG-CD1 3.93Å |
| 568 | V | 85.7 | Confident | 79.4 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 174.9 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | L536 L551 I564 H565 W566 Q570 S571 A572 | L536-V568 HydrophobicContact CD1-CG1 4.06Å; L551-V568 HydrophobicContact CD2-CB 3.99Å; L551-V568 HydrophobicContact CD2-CG1 3.52Å; I564-V568 WeakPolarHBondContact O-CG2 3.43Å; I564-V568 PolarHBondContact O-N 3.31Å; H565-V568 PolarHBondContact O-N 3.12Å; W566-V568 PolarHBondContact O-N 2.92Å; V568-Q570 PolarHBondContact O-N 3.46Å; V568-S571 PolarHBondContact O-N 3.15Å; V568-A572 PolarHBondContact O-N 3.3Å |
| 569 | L | 87.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 177.1 | -68.7 | 164.4 | 0 | 0 | 0 | 111.5 | M548 A552 H565 W566 S571 A572 V573 A584 I588 L591 | M548-L569 HydrophobicContact SD-CD2 3.52Å; M548-L569 VanDerWaalsContact SD-CD2 3.52Å; A552-L569 HydrophobicContact CB-CD2 4.38Å; H565-L569 VanDerWaalsContact O-CG 3.29Å; H565-L569 WeakPolarHBondContact O-CG 3.39Å; H565-L569 PolarHBondContact O-N 3.4Å; W566-L569 PolarHBondContact O-N 3.39Å; L569-S571 VanDerWaalsContact C-N 3.31Å; L569-S571 PolarHBondContact O-N 3.21Å; L569-A572 PolarHBondContact O-N 2.84Å; L569-V573 WeakPolarHBondContact O-CG2 3.28Å; L569-V573 PolarHBondContact O-N 3.38Å; L569-A584 HydrophobicContact CB-CB 4.45Å; L569-A584 HydrophobicContact CD2-CB 3.96Å; L569-I588 HydrophobicContact CB-CD1 4.13Å; L569-I588 HydrophobicContact CB-CG1 3.8Å; L569-I588 HydrophobicContact CD1-CG1 4.49Å; L569-L591 HydrophobicContact CD1-CD1 3.42Å; L569-L591 VanDerWaalsContact CD1-CD1 3.42Å |
| 570 | Q | 81 | Confident | 79.7 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 176.6 | -75.7 | -177.4 | -35.3 | 0 | 0 | 112.5 | W566 V568 V573 Q574 I588 | W566-Q570 HydrophobicContact CD2-CG 4.48Å; W566-Q570 WeakPolarHBondContact O-CB 3.38Å; W566-Q570 WeakPolarHBondContact O-CG 3.35Å; W566-Q570 PolarHBondContact O-N 2.89Å; V568-Q570 PolarHBondContact O-N 3.46Å; Q570-V573 PolarHBondContact O-N 2.66Å; Q570-Q574 WeakPolarHBondContact O-CG 3.44Å; Q570-Q574 PolarHBondContact O-N 3.46Å; Q570-Q574 VanDerWaalsContact O-N 3.13Å; Q570-I588 HydrophobicContact CG-CD1 4Å |
| 571 | S | 82.7 | Confident | 80.2 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 33% | 0.329 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | R567 V568 L569 Q574 F575 | R567-S571 WeakPolarHBondContact O-CB 3.48Å; R567-S571 PolarHBondContact O-N 3.39Å; R567-S571 PolarHBondContact O-OG 3.12Å; V568-S571 PolarHBondContact O-N 3.15Å; L569-S571 VanDerWaalsContact C-N 3.31Å; L569-S571 PolarHBondContact O-N 3.21Å; S571-Q574 PolarHBondContact O-N 2.9Å; S571-Q574 VanDerWaalsContact O-N 3.15Å; S571-F575 WeakPolarHBondContact O-CB 3.45Å; S571-F575 VanDerWaalsContact O-CD2 3.29Å; S571-F575 WeakPolarHBondContact O-CD2 3.47Å; S571-F575 PolarHBondContact O-N 3.46Å |
| 572 | A | 85 | Confident | 80.7 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M548 V568 L569 Q574 D576 A584 | M548-A572 HydrophobicContact CE-CB 3.3Å; M548-A572 HydrophobicContact SD-CB 4.42Å; V568-A572 PolarHBondContact O-N 3.3Å; L569-A572 PolarHBondContact O-N 2.84Å; A572-Q574 PolarHBondContact O-N 2.85Å; A572-D576 VanDerWaalsContact O-CB 3.28Å; A572-D576 WeakPolarHBondContact O-CB 3.29Å; A572-D576 PolarHBondContact O-N 3.46Å; A572-A584 HydrophobicContact CB-CB 3.76Å |
| 573 | V | 82.5 | Confident | 81.1 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -34.6 | 173.6 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | L569 Q570 A584 L585 I588 V639 M643 | L569-V573 WeakPolarHBondContact O-CG2 3.28Å; L569-V573 PolarHBondContact O-N 3.38Å; Q570-V573 PolarHBondContact O-N 2.66Å; V573-A584 HydrophobicContact CG2-CB 3.7Å; V573-L585 HydrophobicContact CG2-CB 4.04Å; V573-I588 HydrophobicContact CG2-CD1 3.75Å; V573-V639 HydrophobicContact CG1-CG1 3.76Å; V573-M643 HydrophobicContact CG1-CE 4.04Å; V573-M643 HydrophobicContact CG1-SD 3.38Å; V573-M643 WeakPolarHBondContact CG1-SD 3.38Å |
| 574 | Q | 75 | Confident | 81.6 | Confident | 49 Ų | 49 | 37.1 Ų | 37.1 | 23% | 0.229 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -83.8 | -40.9 | -176.7 | -73.4 | 175.2 | 38.2 | 0 | 0 | 113.9 | Q570 S571 A572 V639 | Q570-Q574 WeakPolarHBondContact O-CG 3.44Å; Q570-Q574 PolarHBondContact O-N 3.46Å; Q570-Q574 VanDerWaalsContact O-N 3.13Å; S571-Q574 PolarHBondContact O-N 2.9Å; S571-Q574 VanDerWaalsContact O-N 3.15Å; A572-Q574 PolarHBondContact O-N 2.85Å; Q574-V639 HydrophobicContact CG-CG1 4.28Å; Q574-V639 HydrophobicContact CG-CG2 3.81Å |
| 575 | F | 75.9 | Confident | 82 | Confident | 157 Ų | 157 | 33 Ų | 33 | 69% | 0.689 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -116.9 | -17 | -164.1 | -58.7 | -65.3 | 0 | 0 | 0 | 114.1 | S571 | S571-F575 WeakPolarHBondContact O-CB 3.45Å; S571-F575 VanDerWaalsContact O-CD2 3.29Å; S571-F575 WeakPolarHBondContact O-CD2 3.47Å; S571-F575 PolarHBondContact O-N 3.46Å |
| 576 | D | 73.1 | Confident | 82.3 | Confident | 54 Ų | 54 | 38.3 Ų | 38.3 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -86.2 | 161 | 177 | -83.1 | -56.9 | 0 | 0 | 0 | 113.1 | R544 A572 L580 | R544-D576 IonicContact CZ-OD1 2.98Å; R544-D576 IonicContact NH2-OD1 3.73Å; R544-D576 PolarHBondContact NH2-OD1 3.28Å; R544-D576 IonicContact NH2-OD2 2.63Å; A572-D576 VanDerWaalsContact O-CB 3.28Å; A572-D576 WeakPolarHBondContact O-CB 3.29Å; A572-D576 PolarHBondContact O-N 3.46Å; D576-L580 HydrophobicContact CB-CB 3.82Å; D576-L580 HydrophobicContact CB-CD1 4.16Å |
| 577 | G | 71.6 | Confident | 82.6 | Confident | 41 Ų | 41 | 38 Ų | 38 | 42% | 0.423 | 20% | 0.198 | S | C | . | . | trans | -58.5 | 156.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y579 L580 A581 | G577-Y579 PolarHBondContact O-N 3.01Å; G577-L580 PolarHBondContact O-N 3.32Å; G577-L580 VanDerWaalsContact O-N 3.08Å; G577-A581 PolarHBondContact O-N 2.71Å | ||
| 578 | S | 72 | Confident | 83 | Confident | 65 Ų | 65 | 33 Ų | 33 | 46% | 0.455 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -42.1 | -46.5 | -174.5 | 151.8 | 0 | 0 | 0 | 0 | 113.4 | L580 A581 H582 D648 | S578-L580 PolarHBondContact O-N 3.5Å; S578-A581 PolarHBondContact O-N 3.43Å; S578-H582 PolarHBondContact O-CD2 2.69Å; S578-H582 PolarHBondContact O-N 3.2Å; S578-H582 PolarHBondContact O-NE2 3.28Å; S578-H582 PolarHBondContact OG-CE1 3.03Å; S578-H582 PolarHBondContact OG-NE2 2.91Å; S578-D648 PolarHBondContact OG-OD2 3.45Å |
| 579 | Y | 80.1 | Confident | 83.2 | Confident | 60 Ų | 60 | 31.7 Ų | 31.7 | 24% | 0.235 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | -177.5 | 82.2 | -78.5 | 0 | 0 | 0 | 115.5 | Q541 F545 G577 L583 | Q541-Y579 WeakPolarHBondContact CA-OH 3.45Å; Q541-Y579 HydrophobicContact CB-CE1 4.45Å; Q541-Y579 HydrophobicContact CB-CE2 3.89Å; Q541-Y579 WeakPolarHBondContact CB-OH 3.39Å; Q541-Y579 HydrophobicContact CG-CE1 4.06Å; Q541-Y579 HydrophobicContact CG-CE2 4.39Å; Q541-Y579 WeakPolarHBondContact CG-OH 3.36Å; F545-Y579 HydrophobicContact CB-CE2 4.4Å; F545-Y579 HydrophobicContact CD2-CD2 4.36Å; G577-Y579 PolarHBondContact O-N 3.01Å; Y579-L583 PolarHBondContact O-N 2.8Å |
| 580 | L | 84.6 | Confident | 83.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -76.2 | -36.8 | 176.9 | -78.3 | 175.5 | 0 | 0 | 0 | 111.2 | R544 F545 M548 D576 G577 S578 H582 L583 A584 | R544-L580 HydrophobicContact CB-CD1 4.07Å; R544-L580 HydrophobicContact CB-CD2 4.34Å; F545-L580 HydrophobicContact CB-CD2 4.43Å; M548-L580 HydrophobicContact CB-CD2 4.05Å; M548-L580 HydrophobicContact CG-CD2 4.49Å; D576-L580 HydrophobicContact CB-CB 3.82Å; D576-L580 HydrophobicContact CB-CD1 4.16Å; G577-L580 PolarHBondContact O-N 3.32Å; G577-L580 VanDerWaalsContact O-N 3.08Å; S578-L580 PolarHBondContact O-N 3.5Å; L580-H582 PolarHBondContact O-N 2.81Å; L580-L583 PolarHBondContact O-N 2.76Å; L580-A584 WeakPolarHBondContact O-CB 3.33Å; L580-A584 PolarHBondContact O-N 3.07Å |
| 581 | A | 84.5 | Confident | 83.8 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.2 | -37.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G577 S578 L585 M643 | G577-A581 PolarHBondContact O-N 2.71Å; S578-A581 PolarHBondContact O-N 3.43Å; A581-L585 WeakPolarHBondContact O-CB 3.47Å; A581-L585 PolarHBondContact O-N 2.75Å; A581-M643 HydrophobicContact CB-CE 4.48Å |
| 582 | H | 85.7 | Confident | 84 | Confident | 22 Ų | 22 | 33.2 Ų | 33.2 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 176.4 | -64 | -178.9 | 0 | 0 | 0 | 112.5 | S578 L580 L585 K586 D648 V651 M654 | S578-H582 PolarHBondContact O-CD2 2.69Å; S578-H582 PolarHBondContact O-N 3.2Å; S578-H582 PolarHBondContact O-NE2 3.28Å; S578-H582 PolarHBondContact OG-CE1 3.03Å; S578-H582 PolarHBondContact OG-NE2 2.91Å; L580-H582 PolarHBondContact O-N 2.81Å; H582-L585 PolarHBondContact O-N 3.14Å; H582-K586 WeakPolarHBondContact O-CG 3.29Å; H582-K586 PolarHBondContact O-N 3.28Å; H582-K586 VanDerWaalsContact O-N 3.09Å; H582-D648 IonicContact CE1-OD2 2.76Å; H582-D648 IonicContact NE2-OD2 3.39Å; H582-D648 PolarHBondContact NE2-OD2 2.98Å; H582-V651 WeakPolarHBondContact NE2-CG2 3.43Å; H582-M654 HydrophobicContact CB-CE 3.54Å; H582-M654 HydrophobicContact CB-SD 3.93Å; H582-M654 VanDerWaalsContact CD2-CE 3.45Å; H582-M654 WeakPolarHBondContact CD2-CE 3.31Å |
| 583 | L | 87.6 | Confident | 84.2 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 12% | 0.115 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.9 | -43.2 | -179.9 | -178.7 | 60.7 | 0 | 0 | 0 | 111.7 | F545 M548 R549 Y579 L580 L585 K586 G587 | F545-L583 HydrophobicContact CD1-CD2 4.44Å; F545-L583 HydrophobicContact CD2-CD2 3.73Å; F545-L583 HydrophobicContact CE1-CD2 4.42Å; F545-L583 HydrophobicContact CE2-CB 4.34Å; F545-L583 HydrophobicContact CE2-CD2 3.73Å; F545-L583 HydrophobicContact CE2-CG 4.47Å; F545-L583 HydrophobicContact CG-CD2 4.1Å; F545-L583 HydrophobicContact CZ-CD2 4.09Å; F545-L583 WeakPolarHBondContact O-CD2 3.29Å; M548-L583 HydrophobicContact CB-CD2 3.82Å; M548-L583 HydrophobicContact CB-CG 4.47Å; M548-L583 HydrophobicContact CG-CB 4.42Å; M548-L583 HydrophobicContact CG-CD2 3.92Å; M548-L583 HydrophobicContact CG-CG 4.02Å; R549-L583 HydrophobicContact CB-CD2 3.97Å; Y579-L583 PolarHBondContact O-N 2.8Å; L580-L583 PolarHBondContact O-N 2.76Å; L583-L585 VanDerWaalsContact C-N 3.27Å; L583-L585 PolarHBondContact O-N 3.42Å; L583-K586 WeakPolarHBondContact O-CB 3.15Å; L583-K586 PolarHBondContact O-N 3.2Å; L583-G587 PolarHBondContact O-N 3.12Å |
| 584 | A | 89.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M548 L569 A572 V573 L580 G587 I588 | M548-A584 HydrophobicContact CE-CB 4.42Å; M548-A584 HydrophobicContact CG-CB 4.39Å; M548-A584 HydrophobicContact SD-CB 4.04Å; L569-A584 HydrophobicContact CB-CB 4.45Å; L569-A584 HydrophobicContact CD2-CB 3.96Å; A572-A584 HydrophobicContact CB-CB 3.76Å; V573-A584 HydrophobicContact CG2-CB 3.7Å; L580-A584 WeakPolarHBondContact O-CB 3.33Å; L580-A584 PolarHBondContact O-N 3.07Å; A584-G587 PolarHBondContact O-N 2.9Å; A584-I588 WeakPolarHBondContact O-CG1 3.33Å; A584-I588 PolarHBondContact O-N 3.18Å |
| 585 | L | 89.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 174.9 | 179.2 | 63.3 | 0 | 0 | 0 | 112.3 | V573 A581 H582 L583 G587 I588 F589 L640 M643 M654 I655 | V573-L585 HydrophobicContact CG2-CB 4.04Å; A581-L585 WeakPolarHBondContact O-CB 3.47Å; A581-L585 PolarHBondContact O-N 2.75Å; H582-L585 PolarHBondContact O-N 3.14Å; L583-L585 VanDerWaalsContact C-N 3.27Å; L583-L585 PolarHBondContact O-N 3.42Å; L585-G587 VanDerWaalsContact C-N 3.34Å; L585-I588 PolarHBondContact O-N 3.43Å; L585-F589 HydrophobicContact CD1-CD2 4.02Å; L585-F589 HydrophobicContact CD1-CE2 3.45Å; L585-F589 VanDerWaalsContact CD1-CE2 3.45Å; L585-F589 HydrophobicContact CD1-CZ 3.76Å; L585-F589 HydrophobicContact CD2-CE2 3.99Å; L585-F589 HydrophobicContact CG-CD2 3.92Å; L585-F589 HydrophobicContact CG-CE2 3.5Å; L585-F589 HydrophobicContact CG-CZ 4.3Å; L585-F589 VanDerWaalsContact O-CD2 3.24Å; L585-F589 WeakPolarHBondContact O-CD2 3.41Å; L585-F589 PolarHBondContact O-N 3.46Å; L585-L640 HydrophobicContact CD1-CD2 3.39Å; L585-M643 HydrophobicContact CD2-CE 4.49Å; L585-M654 HydrophobicContact CD2-CB 4.45Å; L585-M654 HydrophobicContact CD2-CE 4.31Å; L585-I655 HydrophobicContact CD2-CD1 4.36Å; L585-I655 HydrophobicContact CD2-CG1 3.63Å |
| 586 | K | 90.1 | Very high | 85.2 | Confident | 113 Ų | 113 | 33 Ų | 33 | 49% | 0.491 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 172 | -72.1 | 177.3 | -178.3 | 179.9 | 0 | 110.9 | H582 L583 I588 F589 D590 M654 | H582-K586 WeakPolarHBondContact O-CG 3.29Å; H582-K586 PolarHBondContact O-N 3.28Å; H582-K586 VanDerWaalsContact O-N 3.09Å; L583-K586 WeakPolarHBondContact O-CB 3.15Å; L583-K586 PolarHBondContact O-N 3.2Å; K586-I588 VanDerWaalsContact C-N 3.33Å; K586-I588 PolarHBondContact O-N 2.86Å; K586-F589 PolarHBondContact O-N 3.03Å; K586-F589 VanDerWaalsContact O-N 3.12Å; K586-D590 PolarHBondContact O-N 2.9Å; K586-M654 HydrophobicContact CG-SD 4.38Å |
| 587 | G | 89.9 | Confident | 85.4 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.5 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L583 A584 L585 F589 D590 L591 | L583-G587 PolarHBondContact O-N 3.12Å; A584-G587 PolarHBondContact O-N 2.9Å; L585-G587 VanDerWaalsContact C-N 3.34Å; G587-F589 PolarHBondContact O-N 3.47Å; G587-D590 PolarHBondContact O-N 3.47Å; G587-L591 WeakPolarHBondContact O-CB 3.4Å; G587-L591 WeakPolarHBondContact O-CG 3.43Å; G587-L591 PolarHBondContact O-N 3.34Å |
| 588 | I | 89.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.1 | -45.3 | 175.1 | -76.4 | 169.5 | 0 | 0 | 0 | 111.5 | W566 L569 Q570 V573 A584 L585 K586 A592 L636 | W566-I588 HydrophobicContact CE3-CG1 4.23Å; W566-I588 HydrophobicContact CH2-CB 4.42Å; W566-I588 HydrophobicContact CH2-CG1 4.49Å; W566-I588 HydrophobicContact CH2-CG2 3.56Å; W566-I588 HydrophobicContact CZ3-CB 4.01Å; W566-I588 HydrophobicContact CZ3-CG1 4.01Å; W566-I588 HydrophobicContact CZ3-CG2 3.62Å; L569-I588 HydrophobicContact CB-CD1 4.13Å; L569-I588 HydrophobicContact CB-CG1 3.8Å; L569-I588 HydrophobicContact CD1-CG1 4.49Å; Q570-I588 HydrophobicContact CG-CD1 4Å; V573-I588 HydrophobicContact CG2-CD1 3.75Å; A584-I588 WeakPolarHBondContact O-CG1 3.33Å; A584-I588 PolarHBondContact O-N 3.18Å; L585-I588 PolarHBondContact O-N 3.43Å; K586-I588 VanDerWaalsContact C-N 3.33Å; K586-I588 PolarHBondContact O-N 2.86Å; I588-A592 WeakPolarHBondContact O-CB 3.37Å; I588-A592 PolarHBondContact O-N 2.89Å; I588-L636 HydrophobicContact CD1-CD1 4.26Å; I588-L636 HydrophobicContact CG2-CD1 4.47Å; I588-L636 HydrophobicContact CG2-CD2 3.83Å |
| 589 | F | 91.1 | Very high | 85.4 | Confident | 14 Ų | 14 | 33.4 Ų | 33.4 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -41.6 | 178.8 | -72.8 | -49.6 | 0 | 0 | 0 | 112.3 | L585 K586 G587 A592 F593 L640 V659 L662 | L585-F589 HydrophobicContact CD1-CD2 4.02Å; L585-F589 HydrophobicContact CD1-CE2 3.45Å; L585-F589 VanDerWaalsContact CD1-CE2 3.45Å; L585-F589 HydrophobicContact CD1-CZ 3.76Å; L585-F589 HydrophobicContact CD2-CE2 3.99Å; L585-F589 HydrophobicContact CG-CD2 3.92Å; L585-F589 HydrophobicContact CG-CE2 3.5Å; L585-F589 HydrophobicContact CG-CZ 4.3Å; L585-F589 VanDerWaalsContact O-CD2 3.24Å; L585-F589 WeakPolarHBondContact O-CD2 3.41Å; L585-F589 PolarHBondContact O-N 3.46Å; K586-F589 PolarHBondContact O-N 3.03Å; K586-F589 VanDerWaalsContact O-N 3.12Å; G587-F589 PolarHBondContact O-N 3.47Å; F589-A592 PolarHBondContact O-N 3.23Å; F589-F593 VanDerWaalsContact O-CB 3.29Å; F589-F593 WeakPolarHBondContact O-CB 3.38Å; F589-F593 PolarHBondContact O-N 3.4Å; F589-L640 HydrophobicContact CE1-CD1 4.35Å; F589-L640 HydrophobicContact CE1-CD2 4.49Å; F589-L640 HydrophobicContact CZ-CD2 3.98Å; F589-V659 HydrophobicContact CE1-CG2 4.15Å; F589-V659 HydrophobicContact CZ-CG2 4.28Å; F589-L662 HydrophobicContact CD1-CD1 3.76Å; F589-L662 HydrophobicContact CE1-CD1 4.25Å |
| 590 | D | 91 | Very high | 84.9 | Confident | 82 Ų | 82 | 30.8 Ų | 30.8 | 44% | 0.439 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 178 | -65.4 | -26.7 | 0 | 0 | 0 | 111.2 | L556 K586 G587 F593 K594 | L556-D590 HydrophobicContact CD1-CB 4Å; L556-D590 HydrophobicContact CD2-CB 3.82Å; L556-D590 HydrophobicContact CG-CB 4.41Å; K586-D590 PolarHBondContact O-N 2.9Å; G587-D590 PolarHBondContact O-N 3.47Å; D590-F593 WeakPolarHBondContact O-CB 3.34Å; D590-F593 PolarHBondContact O-N 2.88Å; D590-K594 PolarHBondContact O-N 3.25Å |
| 591 | L | 88.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.7 | -72.7 | -179.4 | 0 | 0 | 0 | 112 | A555 L556 L562 W566 L569 G587 F593 K594 Y595 F600 | A555-L591 HydrophobicContact CB-CD1 3.95Å; A555-L591 HydrophobicContact CB-CD2 3.73Å; A555-L591 HydrophobicContact CB-CG 4.42Å; A555-L591 WeakPolarHBondContact O-CD2 3.19Å; L556-L591 HydrophobicContact CD2-CD2 3.82Å; L556-L591 HydrophobicContact CD2-CG 4.41Å; L556-L591 HydrophobicContact CG-CD2 3.95Å; L562-L591 HydrophobicContact CD1-CD1 4.41Å; L562-L591 HydrophobicContact CD1-CD2 3.87Å; W566-L591 HydrophobicContact CE3-CB 4.43Å; W566-L591 HydrophobicContact CE3-CD1 4.25Å; W566-L591 HydrophobicContact CZ3-CB 4.36Å; L569-L591 HydrophobicContact CD1-CD1 3.42Å; L569-L591 VanDerWaalsContact CD1-CD1 3.42Å; G587-L591 WeakPolarHBondContact O-CB 3.4Å; G587-L591 WeakPolarHBondContact O-CG 3.43Å; G587-L591 PolarHBondContact O-N 3.34Å; L591-F593 PolarHBondContact O-N 3.3Å; L591-K594 PolarHBondContact O-N 3.48Å; L591-Y595 HydrophobicContact CD2-CD2 4.13Å; L591-Y595 HydrophobicContact CD2-CE2 3.85Å; L591-Y595 WeakPolarHBondContact O-CD2 3.38Å; L591-Y595 PolarHBondContact O-N 2.95Å; L591-F600 HydrophobicContact CB-CE1 4.18Å; L591-F600 HydrophobicContact CB-CE2 4.38Å; L591-F600 HydrophobicContact CB-CZ 3.65Å; L591-F600 HydrophobicContact CD1-CE1 4.43Å |
| 592 | A | 88.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -33.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I588 F589 G596 F597 L662 | I588-A592 WeakPolarHBondContact O-CB 3.37Å; I588-A592 PolarHBondContact O-N 2.89Å; F589-A592 PolarHBondContact O-N 3.23Å; A592-G596 CarbonylContact O-C 3.32Å; A592-G596 VanDerWaalsContact O-C 3.32Å; A592-G596 WeakPolarHBondContact O-CA 3.34Å; A592-G596 PolarHBondContact O-N 2.85Å; A592-F597 HydrophobicContact CB-CD2 3.73Å; A592-L662 HydrophobicContact CB-CD1 3.91Å; A592-L662 HydrophobicContact CB-CD2 3.84Å |
| 593 | F | 89 | Confident | 80.4 | Confident | 79 Ų | 79 | 40.4 Ų | 40.4 | 35% | 0.346 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71.4 | -43.7 | 178.3 | -169.8 | -91 | 0 | 0 | 0 | 111.8 | F589 D590 L591 L662 H665 R667 | F589-F593 VanDerWaalsContact O-CB 3.29Å; F589-F593 WeakPolarHBondContact O-CB 3.38Å; F589-F593 PolarHBondContact O-N 3.4Å; D590-F593 WeakPolarHBondContact O-CB 3.34Å; D590-F593 PolarHBondContact O-N 2.88Å; L591-F593 PolarHBondContact O-N 3.3Å; F593-L662 HydrophobicContact CB-CD2 3.91Å; F593-L662 HydrophobicContact CD2-CD2 4.15Å; F593-H665 HydrophobicContact CE2-CB 3.83Å; F593-H665 AromaticContact CE2-CD2 3.43Å; F593-H665 VanDerWaalsContact CE2-CD2 3.43Å; F593-H665 WeakPolarHBondContact CE2-CD2 3.35Å; F593-H665 AromaticContact CE2-CG 3.6Å; F593-H665 HydrophobicContact CZ-CB 4.31Å; F593-H665 AromaticContact CZ-CD2 3.77Å; F593-H665 AromaticContact CZ-CG 3.8Å; F593-H665 AromaticContact CZ-NE2 3.99Å; F593-R667 PolarHBondContact O-NE 3.08Å |
| 594 | K | 88 | Confident | 78.4 | Confident | 93 Ų | 93 | 47 Ų | 47 | 40% | 0.404 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.8 | -56.7 | 179.1 | -178.3 | 167.2 | -177.5 | 167.8 | 0 | 111.8 | L556 E557 D590 L591 | L556-K594 HydrophobicContact CD2-CB 4.29Å; L556-K594 HydrophobicContact CD2-CD 4.23Å; L556-K594 VanDerWaalsContact O-CD 3.26Å; L556-K594 WeakPolarHBondContact O-CD 3.34Å; L556-K594 WeakPolarHBondContact O-CE 3.48Å; L556-K594 PolarHBondContact O-NZ 3.28Å; E557-K594 IonicContact OE2-NZ 2.62Å; D590-K594 PolarHBondContact O-N 3.25Å; L591-K594 PolarHBondContact O-N 3.48Å |
| 595 | Y | 84.7 | Confident | 75.8 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -93.2 | -11.2 | -170.3 | -60.9 | -70.3 | 0 | 0 | 0 | 113.7 | A555 L556 E559 L562 L591 S599 F600 | A555-Y595 WeakPolarHBondContact O-CE2 3.29Å; A555-Y595 PolarHBondContact O-OH 3.06Å; L556-Y595 PolarHBondContact O-OH 3.17Å; E559-Y595 HydrophobicContact CG-CD1 4.09Å; E559-Y595 HydrophobicContact CG-CE1 3.35Å; E559-Y595 WeakPolarHBondContact OE1-CE1 3.15Å; L562-Y595 HydrophobicContact CD1-CD2 3.82Å; L562-Y595 HydrophobicContact CD1-CE2 3.65Å; L562-Y595 HydrophobicContact CD2-CD1 4.17Å; L562-Y595 HydrophobicContact CD2-CD2 3.86Å; L562-Y595 HydrophobicContact CD2-CE1 4.47Å; L562-Y595 HydrophobicContact CD2-CE2 4.14Å; L562-Y595 HydrophobicContact CD2-CG 3.84Å; L591-Y595 HydrophobicContact CD2-CD2 4.13Å; L591-Y595 HydrophobicContact CD2-CE2 3.85Å; L591-Y595 WeakPolarHBondContact O-CD2 3.38Å; L591-Y595 PolarHBondContact O-N 2.95Å; Y595-S599 WeakPolarHBondContact O-CB 3.16Å; Y595-S599 PolarHBondContact O-OG 3.27Å; Y595-F600 AromaticContact CD2-CZ 3.9Å; Y595-F600 HydrophobicContact CD2-CZ 3.9Å; Y595-F600 HydrophobicContact CG-CZ 4.27Å |
| 596 | G | 80.9 | Confident | 73.2 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | trans | 84.7 | 143.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A592 D598 S599 F600 | A592-G596 CarbonylContact O-C 3.32Å; A592-G596 VanDerWaalsContact O-C 3.32Å; A592-G596 WeakPolarHBondContact O-CA 3.34Å; A592-G596 PolarHBondContact O-N 2.85Å; G596-D598 PolarHBondContact O-N 3.03Å; G596-S599 WeakPolarHBondContact O-CB 3.03Å; G596-S599 PolarHBondContact O-N 3.1Å; G596-F600 WeakPolarHBondContact O-CD2 3.4Å; G596-F600 WeakPolarHBondContact O-CE2 3.36Å | ||
| 597 | F | 76.6 | Confident | 70.4 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 2% | 0.022 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -66.4 | -22.5 | -175.2 | -162.4 | -107.3 | 0 | 0 | 0 | 113.2 | W566 A592 K633 L636 L637 L662 R667 L668 | W566-F597 HydrophobicContact CH2-CE2 4.43Å; A592-F597 HydrophobicContact CB-CD2 3.73Å; F597-K633 HydrophobicContact CD1-CD 4.03Å; F597-K633 HydrophobicContact CD1-CG 3.85Å; F597-K633 HydrophobicContact CE1-CD 4.07Å; F597-K633 HydrophobicContact CE1-CG 3.43Å; F597-K633 VanDerWaalsContact CE1-CG 3.43Å; F597-K633 HydrophobicContact CZ-CG 4.47Å; F597-L636 HydrophobicContact CE2-CD2 3.63Å; F597-L636 HydrophobicContact CZ-CD2 3.74Å; F597-L636 HydrophobicContact CZ-CG 4.33Å; F597-L637 HydrophobicContact CE1-CD2 4.28Å; F597-L637 HydrophobicContact CE1-CG 4.25Å; F597-L637 HydrophobicContact CZ-CD2 4.28Å; F597-L637 HydrophobicContact CZ-CG 4.36Å; F597-L662 HydrophobicContact CD2-CD1 4.4Å; F597-R667 VanDerWaalsContact CB-O 3.26Å; F597-R667 WeakPolarHBondContact CB-O 3.36Å; F597-L668 HydrophobicContact CD1-CD1 3.67Å; F597-L668 HydrophobicContact CE1-CD1 3.76Å; F597-L668 HydrophobicContact CG-CD1 4.1Å; F597-L668 HydrophobicContact CZ-CD1 4.33Å |
| 598 | D | 73.2 | Confident | 67.5 | Low | 103 Ų | 103 | 72.7 Ų | 72.7 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -81.7 | -12.2 | -179.9 | -62.1 | -43.4 | 0 | 0 | 0 | 114 | G596 F600 I601 K633 | G596-D598 PolarHBondContact O-N 3.03Å; D598-F600 PolarHBondContact O-N 3.33Å; D598-I601 HydrophobicContact CB-CD1 4.16Å; D598-I601 WeakPolarHBondContact O-CG1 3.46Å; D598-K633 IonicContact OD1-NZ 2.72Å; D598-K633 PolarHBondContact OD1-NZ 3.12Å |
| 599 | S | 71.7 | Confident | 64.7 | Low | 61 Ų | 61 | 78.5 Ų | 78.5 | 43% | 0.427 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -75 | -11.5 | -178.8 | -61.5 | 0 | 0 | 0 | 0 | 114 | Q563 Y595 G596 | Q563-S599 PolarHBondContact NE2-O 2.87Å; Y595-S599 WeakPolarHBondContact O-CB 3.16Å; Y595-S599 PolarHBondContact O-OG 3.27Å; G596-S599 WeakPolarHBondContact O-CB 3.03Å; G596-S599 PolarHBondContact O-N 3.1Å |
| 600 | F | 68.8 | Low | 61.8 | Low | 5 Ų | 5 | 84.7 Ų | 84.7 | 2% | 0.022 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -106.6 | 17.6 | -174.6 | -57.8 | -85.5 | 0 | 0 | 0 | 113.7 | L562 W566 L591 Y595 G596 D598 | L562-F600 HydrophobicContact CD1-CE1 3.45Å; L562-F600 VanDerWaalsContact CD1-CE1 3.45Å; L562-F600 HydrophobicContact CD1-CZ 3.92Å; L562-F600 HydrophobicContact CD2-CD1 4.44Å; L562-F600 HydrophobicContact CD2-CE1 3.71Å; L562-F600 HydrophobicContact CD2-CZ 3.97Å; L562-F600 HydrophobicContact CG-CD1 4.12Å; L562-F600 HydrophobicContact CG-CE1 3.38Å; L562-F600 HydrophobicContact CG-CZ 4.07Å; W566-F600 HydrophobicContact CB-CD1 3.63Å; W566-F600 HydrophobicContact CB-CE1 4.12Å; W566-F600 HydrophobicContact CD2-CB 3.67Å; W566-F600 AromaticContact CD2-CD1 3.34Å; W566-F600 HydrophobicContact CD2-CD1 3.34Å; W566-F600 HydrophobicContact CD2-CD2 4.39Å; W566-F600 HydrophobicContact CD2-CE1 4.01Å; W566-F600 AromaticContact CD2-CG 3.55Å; W566-F600 HydrophobicContact CD2-CG 3.55Å; W566-F600 AromaticContact CE2-CG 3.75Å; W566-F600 HydrophobicContact CE3-CB 4.27Å; W566-F600 AromaticContact CE3-CD1 3.43Å; W566-F600 HydrophobicContact CE3-CD1 3.43Å; W566-F600 VanDerWaalsContact CE3-CD1 3.43Å; W566-F600 HydrophobicContact CE3-CD2 4.14Å; W566-F600 AromaticContact CE3-CE1 3.62Å; W566-F600 HydrophobicContact CE3-CE1 3.62Å; W566-F600 HydrophobicContact CE3-CE2 4.37Å; W566-F600 AromaticContact CE3-CG 3.69Å; W566-F600 HydrophobicContact CE3-CG 3.69Å; W566-F600 HydrophobicContact CE3-CZ 4.14Å; W566-F600 HydrophobicContact CG-CB 3.92Å; W566-F600 AromaticContact CG-CD1 3.44Å; W566-F600 HydrophobicContact CG-CD1 3.44Å; W566-F600 VanDerWaalsContact CG-CD1 3.44Å; W566-F600 HydrophobicContact CG-CE1 4.24Å; W566-F600 AromaticContact CG-CG 3.97Å; W566-F600 HydrophobicContact CG-CG 3.97Å; W566-F600 HydrophobicContact CH2-CB 4.32Å; W566-F600 HydrophobicContact CH2-CD2 4.11Å; W566-F600 HydrophobicContact CH2-CG 4.13Å; W566-F600 HydrophobicContact CZ2-CB 3.75Å; W566-F600 HydrophobicContact CZ2-CD2 4.39Å; W566-F600 HydrophobicContact CZ2-CG 4.04Å; W566-F600 HydrophobicContact CZ3-CD1 4.13Å; W566-F600 AromaticContact CZ3-CD2 3.99Å; W566-F600 HydrophobicContact CZ3-CD2 3.99Å; W566-F600 HydrophobicContact CZ3-CE1 4.25Å; W566-F600 HydrophobicContact CZ3-CE2 4.2Å; W566-F600 AromaticContact CZ3-CG 3.97Å; W566-F600 HydrophobicContact CZ3-CG 3.97Å; W566-F600 HydrophobicContact CZ3-CZ 4.33Å; L591-F600 HydrophobicContact CB-CE1 4.18Å; L591-F600 HydrophobicContact CB-CE2 4.38Å; L591-F600 HydrophobicContact CB-CZ 3.65Å; L591-F600 HydrophobicContact CD1-CE1 4.43Å; Y595-F600 AromaticContact CD2-CZ 3.9Å; Y595-F600 HydrophobicContact CD2-CZ 3.9Å; Y595-F600 HydrophobicContact CG-CZ 4.27Å; G596-F600 WeakPolarHBondContact O-CD2 3.4Å; G596-F600 WeakPolarHBondContact O-CE2 3.36Å; D598-F600 PolarHBondContact O-N 3.33Å |
| 601 | I | 59.9 | Low | 58.9 | Low | 56 Ų | 56 | 87.6 Ų | 87.6 | 29% | 0.287 | 45% | 0.454 | S | S | . | . | trans | -95 | 130.3 | -174.3 | -54.9 | 177.7 | 0 | 0 | 0 | 109.3 | D598 T603 K633 | D598-I601 HydrophobicContact CB-CD1 4.16Å; D598-I601 WeakPolarHBondContact O-CG1 3.46Å; I601-T603 PolarHBondContact O-N 3.1Å; I601-K633 HydrophobicContact CD1-CB 4.11Å; I601-K633 HydrophobicContact CD1-CD 3.86Å; I601-K633 HydrophobicContact CD1-CG 4.47Å; I601-K633 HydrophobicContact CG1-CB 4.15Å | ||
| 602 | D | 58.3 | Low | 56.2 | Low | 39 Ų | 39 | 94.1 Ų | 94.1 | 21% | 0.209 | 49% | 0.494 | C | S | . | . | trans | -62.9 | 97.3 | 163 | -63.3 | -43.3 | 0 | 0 | 0 | 108.2 | R567 E604 P630 | R567-D602 IonicContact CZ-OD1 3.74Å; R567-D602 IonicContact NH2-OD1 2.72Å; R567-D602 PolarHBondContact NH2-OD1 3.39Å; R567-D602 IonicContact NH2-OD2 3.69Å; D602-E604 PolarHBondContact O-N 3.15Å; D602-P630 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 603 | T | 42.7 | Very low | 53.6 | Low | 135 Ų | 135 | 101.2 Ų | 101.2 | 83% | 0.828 | 53% | 0.532 | S | S | * | . | trans | -67.8 | 79.1 | 158.1 | 28.5 | 0 | 0 | 0 | 0 | 107.8 | I601 | I601-T603 PolarHBondContact O-N 3.1Š| ||
| 604 | E | 45.7 | Very low | 50.7 | Low | 160 Ų | 160 | 106.8 Ų | 106.8 | 75% | 0.748 | 56% | 0.556 | S | S | * | * | trans | -103.4 | 107.9 | 156 | -75.5 | -160.9 | 170.2 | 0 | 0 | 108.7 | D602 F606 | D602-E604 PolarHBondContact O-N 3.15Å; E604-F606 PolarHBondContact O-N 2.95Å | ||
| 605 | E | 34.3 | Very low | 48 | Very low | 182 Ų | 182 | 111 Ų | 111 | 85% | 0.85 | 58% | 0.582 | S | S | * | * | trans | -35.8 | 116.9 | 163.6 | -61.2 | 170.4 | 159.5 | 0 | 0 | 110.4 | P607 | E605-P607 WeakPolarHBondContact O-CD 3.28Š| ||
| 606 | F | 35 | Very low | 45.5 | Very low | 191 Ų | 191 | 112.8 Ų | 112.8 | 84% | 0.838 | 61% | 0.61 | S | S | * | * | trans | -63 | 116.3 | 155.3 | -73.1 | -89.9 | 0 | 0 | 0 | 106.4 | E604 E608 | E604-F606 PolarHBondContact O-N 2.95Å; F606-E608 PolarHBondContact O-N 3.49Å | ||
| 607 | P | 32 | Very low | 43.1 | Very low | 107 Ų | 107 | 121 Ų | 121 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | trans | -65.1 | 114.3 | 165.2 | -9.1 | 26 | 0 | 0 | 0 | 105.4 | E605 T609 | E605-P607 WeakPolarHBondContact O-CD 3.28Å; P607-T609 PolarHBondContact O-N 2.63Å | ||
| 608 | E | 28.2 | Very low | 41.1 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -55.1 | 83.9 | 171.6 | -66 | -179.6 | 163.9 | 0 | 0 | 109.5 | F606 N610 | F606-E608 PolarHBondContact O-N 3.49Å; E608-N610 VanDerWaalsContact C-N 3.32Å; E608-N610 PolarHBondContact O-N 2.91Å; E608-N610 VanDerWaalsContact O-N 3.14Å | ||
| 609 | T | 31.4 | Very low | 39.2 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 69% | 0.689 | S | S | * | * | trans | -85.3 | 87.6 | 169.6 | 44.5 | 0 | 0 | 0 | 0 | 106.7 | P607 D611 | P607-T609 PolarHBondContact O-N 2.63Å; T609-D611 PolarHBondContact O-N 3.34Å | ||
| 610 | N | 28.5 | Very low | 37.4 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | trans | -63.2 | 56.8 | 163.8 | -81.3 | -45.7 | 0 | 0 | 0 | 111.4 | E608 | E608-N610 VanDerWaalsContact C-N 3.32Å; E608-N610 PolarHBondContact O-N 2.91Å; E608-N610 VanDerWaalsContact O-N 3.14Å | ||
| 611 | D | 31.3 | Very low | 35.7 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | -129.5 | 66.2 | 174.8 | -106.1 | -27.5 | 0 | 0 | 0 | 109.5 | T609 D613 | T609-D611 PolarHBondContact O-N 3.34Å; D611-D613 PolarHBondContact O-N 2.92Å | ||
| 612 | V | 31.3 | Very low | 34.5 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -0.1 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 613 | D | 32.9 | Very low | 33.5 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 11.9 | -168.8 | -82.8 | -17.7 | 0 | 0 | 0 | 116.6 | D611 | D611-D613 PolarHBondContact O-N 2.92Š|
| 614 | K | 29.9 | Very low | 33.1 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | trans | -144.4 | 62.9 | 176.7 | -70.3 | -171 | -178.7 | 171.4 | 0 | 115.9 | ||||
| 615 | L | 30.6 | Very low | 32.6 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | trans | -127.1 | 80.7 | 154.9 | -80.2 | 164.1 | 0 | 0 | 0 | 109.1 | ||||
| 616 | G | 31.6 | Very low | 32.8 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -77.7 | 132.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 617 | E | 30.8 | Very low | 32.9 | Very low | 182 Ų | 182 | 134 Ų | 134 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 50.8 | 86.6 | 138.9 | -59.2 | 180 | 174.2 | 0 | 0 | 117.7 | ||
| 618 | N | 34 | Very low | 33.1 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | -170.9 | 110.5 | 129.2 | -94.7 | -27.6 | 0 | 0 | 0 | 110.6 | D620 | N618-D620 VanDerWaalsContact C-N 3.28Å; N618-D620 PolarHBondContact O-N 3.39Å | |||
| 619 | P | 33.8 | Very low | 33.6 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 1.3 | -178.8 | -15.1 | 30.4 | 0 | 0 | 0 | 116.2 | ||
| 620 | D | 35 | Very low | 34.1 | Very low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -2 | -169.2 | -72.2 | -25.8 | 0 | 0 | 0 | 115 | N618 I622 | N618-D620 VanDerWaalsContact C-N 3.28Å; N618-D620 PolarHBondContact O-N 3.39Å; D620-I622 PolarHBondContact O-N 2.96Å |
| 621 | D | 32 | Very low | 35.1 | Very low | 142 Ų | 142 | 122.7 Ų | 122.7 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | -92.1 | 78.5 | 165.5 | -78.6 | -33.3 | 0 | 0 | 0 | 109 | D623 | D621-D623 PolarHBondContact O-N 2.91Š| ||
| 622 | I | 36 | Very low | 36.5 | Very low | 153 Ų | 153 | 118.2 Ų | 118.2 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | trans | -72.6 | 85.6 | 160.8 | -58.1 | 174.9 | 0 | 0 | 0 | 105.6 | D620 D624 | D620-I622 PolarHBondContact O-N 2.96Å; I622-D624 PolarHBondContact O-N 3.16Å | ||
| 623 | D | 35.9 | Very low | 38.1 | Very low | 141 Ų | 141 | 114.5 Ų | 114.5 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | trans | -50.9 | 114.8 | 165.7 | -92.1 | -34 | 0 | 0 | 0 | 108.1 | D621 P625 | D621-D623 PolarHBondContact O-N 2.91Å; D623-P625 WeakPolarHBondContact O-CD 3.26Å; D623-P625 VanDerWaalsContact O-N 3.15Å | ||
| 624 | D | 34.9 | Very low | 40 | Very low | 104 Ų | 104 | 114.8 Ų | 114.8 | 56% | 0.556 | 65% | 0.652 | S | S | * | * | trans | -57.2 | 113 | 171.4 | -179.9 | -5.6 | 0 | 0 | 0 | 108.2 | I622 S626 A627 | I622-D624 PolarHBondContact O-N 3.16Å; D624-S626 PolarHBondContact O-N 3.47Å; D624-S626 VanDerWaalsContact OD1-CB 3.32Å; D624-S626 WeakPolarHBondContact OD1-CB 3.35Å; D624-S626 PolarHBondContact OD1-N 3.38Å; D624-S626 VanDerWaalsContact OD1-N 3.08Å; D624-S626 PolarHBondContact OD1-OG 2.9Å; D624-S626 PolarHBondContact OD2-OG 3.4Å; D624-A627 PolarHBondContact O-N 3Å | ||
| 625 | P | 35.6 | Very low | 42 | Very low | 117 Ų | 117 | 108.7 Ų | 108.7 | 76% | 0.76 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -6.2 | -176.6 | -20 | 32.2 | 0 | 0 | 0 | 113.6 | D623 | D623-P625 WeakPolarHBondContact O-CD 3.26Å; D623-P625 VanDerWaalsContact O-N 3.15Å |
| 626 | S | 39.2 | Very low | 44.1 | Very low | 74 Ų | 74 | 100.1 Ų | 100.1 | 52% | 0.517 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | -9.7 | -178.4 | 69.6 | 0 | 0 | 0 | 0 | 114.5 | D624 G628 | D624-S626 PolarHBondContact O-N 3.47Å; D624-S626 VanDerWaalsContact OD1-CB 3.32Å; D624-S626 WeakPolarHBondContact OD1-CB 3.35Å; D624-S626 PolarHBondContact OD1-N 3.38Å; D624-S626 VanDerWaalsContact OD1-N 3.08Å; D624-S626 PolarHBondContact OD1-OG 2.9Å; D624-S626 PolarHBondContact OD2-OG 3.4Å; S626-G628 PolarHBondContact O-N 2.86Å |
| 627 | A | 36.4 | Very low | 46.4 | Very low | 78 Ų | 78 | 97.3 Ų | 97.3 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -81.4 | 104.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D624 H629 | D624-A627 PolarHBondContact O-N 3Å; A627-H629 PolarHBondContact O-N 3.47Å; A627-H629 VanDerWaalsContact O-N 3.12Å |
| 628 | G | 36.2 | Very low | 48.8 | Very low | 77 Ų | 77 | 95 Ų | 95 | 79% | 0.794 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 77.1 | -1.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | S626 | S626-G628 PolarHBondContact O-N 2.86Š|
| 629 | H | 37.7 | Very low | 51 | Low | 140 Ų | 140 | 89.3 Ų | 89.3 | 65% | 0.648 | 51% | 0.505 | S | S | * | . | trans | -66.9 | 136.9 | 179.8 | -109.9 | -71.7 | 0 | 0 | 0 | 112.9 | A627 R635 | A627-H629 PolarHBondContact O-N 3.47Å; A627-H629 VanDerWaalsContact O-N 3.12Å; H629-R635 PolarHBondContact O-NH1 3.27Å | ||
| 630 | P | 43.2 | Very low | 53.4 | Low | 58 Ų | 58 | 83.8 Ų | 83.8 | 38% | 0.377 | 47% | 0.469 | S | S | . | . | trans | -51.8 | 146.3 | 177.3 | -23.7 | 31.5 | 0 | 0 | 0 | 112.7 | D602 T632 | D602-P630 WeakPolarHBondContact OD2-CB 3.47Å; P630-T632 PolarHBondContact O-N 2.99Å | ||
| 631 | L | 48.9 | Very low | 55.8 | Low | 35 Ų | 35 | 78.4 Ų | 78.4 | 18% | 0.183 | 44% | 0.439 | C | S | . | . | trans | -73.2 | 69.6 | -171 | -74 | 154.6 | 0 | 0 | 0 | 111.7 | R567 | R567-L631 HydrophobicContact CB-CD1 4.19Å; R567-L631 HydrophobicContact CG-CD1 3.93Å | ||
| 632 | T | 60.1 | Low | 58.4 | Low | 47 Ų | 47 | 75.1 Ų | 75.1 | 29% | 0.288 | 42% | 0.424 | S | S | . | . | trans | -72.5 | 162.4 | -174.5 | 56.2 | 0 | 0 | 0 | 0 | 114 | P630 Q634 R635 L636 | P630-T632 PolarHBondContact O-N 2.99Å; T632-Q634 PolarHBondContact O-N 3.26Å; T632-Q634 VanDerWaalsContact O-N 3.12Å; T632-R635 WeakPolarHBondContact O-CB 3.21Å; T632-R635 PolarHBondContact O-N 3.39Å; T632-L636 PolarHBondContact O-N 2.84Å; T632-L636 VanDerWaalsContact O-N 3.15Å | ||
| 633 | K | 65.9 | Low | 60.7 | Low | 59 Ų | 59 | 69.6 Ų | 69.6 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -42.2 | -43.2 | 165.9 | -173.4 | 178.1 | 174.3 | 161.9 | 0 | 112.5 | F597 D598 I601 L636 L637 | F597-K633 HydrophobicContact CD1-CD 4.03Å; F597-K633 HydrophobicContact CD1-CG 3.85Å; F597-K633 HydrophobicContact CE1-CD 4.07Å; F597-K633 HydrophobicContact CE1-CG 3.43Å; F597-K633 VanDerWaalsContact CE1-CG 3.43Å; F597-K633 HydrophobicContact CZ-CG 4.47Å; D598-K633 IonicContact OD1-NZ 2.72Å; D598-K633 PolarHBondContact OD1-NZ 3.12Å; I601-K633 HydrophobicContact CD1-CB 4.11Å; I601-K633 HydrophobicContact CD1-CD 3.86Å; I601-K633 HydrophobicContact CD1-CG 4.47Å; I601-K633 HydrophobicContact CG1-CB 4.15Å; K633-L636 PolarHBondContact O-N 2.75Å; K633-L637 HydrophobicContact CG-CD1 4.05Å; K633-L637 WeakPolarHBondContact O-CB 3.18Å; K633-L637 WeakPolarHBondContact O-CD1 3.44Å; K633-L637 WeakPolarHBondContact O-CG 3.37Å; K633-L637 PolarHBondContact O-N 3.4Å |
| 634 | Q | 72.2 | Confident | 63.1 | Low | 155 Ų | 155 | 63.2 Ų | 63.2 | 72% | 0.724 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.4 | -38 | -179.9 | -68.1 | -177.8 | -12.8 | 0 | 0 | 112.3 | T632 L637 F638 | T632-Q634 PolarHBondContact O-N 3.26Å; T632-Q634 VanDerWaalsContact O-N 3.12Å; Q634-L637 PolarHBondContact O-N 3.1Å; Q634-F638 WeakPolarHBondContact O-CB 3.37Å; Q634-F638 PolarHBondContact O-N 3.36Å |
| 635 | R | 72.5 | Confident | 65.3 | Low | 68 Ų | 68 | 63.9 Ų | 63.9 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.1 | -42.8 | 177.8 | -168.3 | 166.9 | 179.7 | 161.3 | 6.3 | 111.8 | H629 T632 F638 V639 | H629-R635 PolarHBondContact O-NH1 3.27Å; T632-R635 WeakPolarHBondContact O-CB 3.21Å; T632-R635 PolarHBondContact O-N 3.39Å; R635-F638 WeakPolarHBondContact O-CB 3.26Å; R635-F638 PolarHBondContact O-N 3.43Å; R635-V639 WeakPolarHBondContact O-CG2 3.35Å; R635-V639 PolarHBondContact O-N 3.49Å |
| 636 | L | 73.6 | Confident | 67.6 | Low | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 173.2 | 178.6 | 60.5 | 0 | 0 | 0 | 111.2 | W566 I588 F597 T632 K633 F638 V639 L640 | W566-L636 HydrophobicContact CH2-CD2 3.53Å; W566-L636 HydrophobicContact CZ2-CD2 3.36Å; I588-L636 HydrophobicContact CD1-CD1 4.26Å; I588-L636 HydrophobicContact CG2-CD1 4.47Å; I588-L636 HydrophobicContact CG2-CD2 3.83Å; F597-L636 HydrophobicContact CE2-CD2 3.63Å; F597-L636 HydrophobicContact CZ-CD2 3.74Å; F597-L636 HydrophobicContact CZ-CG 4.33Å; T632-L636 PolarHBondContact O-N 2.84Å; T632-L636 VanDerWaalsContact O-N 3.15Å; K633-L636 PolarHBondContact O-N 2.75Å; L636-F638 VanDerWaalsContact C-N 3.26Å; L636-F638 PolarHBondContact O-N 2.92Å; L636-V639 PolarHBondContact O-N 3.27Å; L636-V639 VanDerWaalsContact O-N 3.15Å; L636-L640 HydrophobicContact CD1-CG 4.17Å; L636-L640 HydrophobicContact CG-CD1 4.2Å; L636-L640 HydrophobicContact CG-CG 4.3Å; L636-L640 WeakPolarHBondContact O-CG 3.41Å; L636-L640 PolarHBondContact O-N 3.49Å |
| 637 | L | 80.5 | Confident | 69.5 | Low | 10 Ų | 10 | 62.4 Ų | 62.4 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 174.5 | -72.3 | 167.8 | 0 | 0 | 0 | 111.2 | F597 K633 Q634 L640 K641 L668 L673 | F597-L637 HydrophobicContact CE1-CD2 4.28Å; F597-L637 HydrophobicContact CE1-CG 4.25Å; F597-L637 HydrophobicContact CZ-CD2 4.28Å; F597-L637 HydrophobicContact CZ-CG 4.36Å; K633-L637 HydrophobicContact CG-CD1 4.05Å; K633-L637 WeakPolarHBondContact O-CB 3.18Å; K633-L637 WeakPolarHBondContact O-CD1 3.44Å; K633-L637 WeakPolarHBondContact O-CG 3.37Å; K633-L637 PolarHBondContact O-N 3.4Å; Q634-L637 PolarHBondContact O-N 3.1Å; L637-L640 PolarHBondContact O-N 2.92Å; L637-K641 WeakPolarHBondContact O-CB 3.46Å; L637-K641 WeakPolarHBondContact O-CD 3.44Å; L637-K641 WeakPolarHBondContact O-CG 3.32Å; L637-K641 PolarHBondContact O-N 3.31Å; L637-L668 HydrophobicContact CD2-CD1 4.43Å; L637-L673 HydrophobicContact CD2-CD1 3.43Å; L637-L673 VanDerWaalsContact CD2-CD1 3.43Å; L637-L673 HydrophobicContact CD2-CG 4.15Å |
| 638 | F | 82.1 | Confident | 71.6 | Confident | 134 Ų | 134 | 61 Ų | 61 | 59% | 0.588 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 175 | 176.9 | -95 | 0 | 0 | 0 | 112.5 | Q634 R635 L636 K641 T642 | Q634-F638 WeakPolarHBondContact O-CB 3.37Å; Q634-F638 PolarHBondContact O-N 3.36Å; R635-F638 WeakPolarHBondContact O-CB 3.26Å; R635-F638 PolarHBondContact O-N 3.43Å; L636-F638 VanDerWaalsContact C-N 3.26Å; L636-F638 PolarHBondContact O-N 2.92Å; F638-K641 PolarHBondContact O-N 3.32Å; F638-T642 WeakPolarHBondContact O-CB 3.48Å; F638-T642 PolarHBondContact O-N 2.99Å; F638-T642 PolarHBondContact O-OG1 3.5Å |
| 639 | V | 80.2 | Confident | 73.9 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V573 Q574 R635 L636 K641 T642 M643 | V573-V639 HydrophobicContact CG1-CG1 3.76Å; Q574-V639 HydrophobicContact CG-CG1 4.28Å; Q574-V639 HydrophobicContact CG-CG2 3.81Å; R635-V639 WeakPolarHBondContact O-CG2 3.35Å; R635-V639 PolarHBondContact O-N 3.49Å; L636-V639 PolarHBondContact O-N 3.27Å; L636-V639 VanDerWaalsContact O-N 3.15Å; V639-K641 VanDerWaalsContact C-N 3.31Å; V639-K641 PolarHBondContact O-N 3.13Å; V639-T642 PolarHBondContact O-N 3.27Å; V639-T642 VanDerWaalsContact O-N 3.14Å; V639-M643 HydrophobicContact CG1-CG 4.25Å; V639-M643 HydrophobicContact CG1-SD 3.79Å; V639-M643 WeakPolarHBondContact O-CB 3.23Å; V639-M643 VanDerWaalsContact O-CG 3.31Å; V639-M643 WeakPolarHBondContact O-CG 3.3Å; V639-M643 PolarHBondContact O-N 3.36Å |
| 640 | L | 83.7 | Confident | 76 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 176.4 | -68.5 | 177.6 | 0 | 0 | 0 | 111.5 | L585 F589 L636 L637 M643 F644 I655 | L585-L640 HydrophobicContact CD1-CD2 3.39Å; F589-L640 HydrophobicContact CE1-CD1 4.35Å; F589-L640 HydrophobicContact CE1-CD2 4.49Å; F589-L640 HydrophobicContact CZ-CD2 3.98Å; L636-L640 HydrophobicContact CD1-CG 4.17Å; L636-L640 HydrophobicContact CG-CD1 4.2Å; L636-L640 HydrophobicContact CG-CG 4.3Å; L636-L640 WeakPolarHBondContact O-CG 3.41Å; L636-L640 PolarHBondContact O-N 3.49Å; L637-L640 PolarHBondContact O-N 2.92Å; L640-M643 PolarHBondContact O-N 2.79Å; L640-F644 WeakPolarHBondContact O-CB 3.32Å; L640-F644 PolarHBondContact O-N 2.76Å; L640-I655 HydrophobicContact CD2-CD1 4.43Å; L640-I655 HydrophobicContact CD2-CG1 4.3Å |
| 641 | K | 85.9 | Confident | 78 | Confident | 33 Ų | 33 | 59 Ų | 59 | 14% | 0.143 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 176.7 | -68.4 | 168.1 | -174.9 | 175.8 | 0 | 111.6 | L637 F638 V639 F644 N645 E672 L673 M676 | L637-K641 WeakPolarHBondContact O-CB 3.46Å; L637-K641 WeakPolarHBondContact O-CD 3.44Å; L637-K641 WeakPolarHBondContact O-CG 3.32Å; L637-K641 PolarHBondContact O-N 3.31Å; F638-K641 PolarHBondContact O-N 3.32Å; V639-K641 VanDerWaalsContact C-N 3.31Å; V639-K641 PolarHBondContact O-N 3.13Å; K641-F644 PolarHBondContact O-N 3.07Å; K641-N645 WeakPolarHBondContact O-CB 3.48Å; K641-N645 VanDerWaalsContact O-CG 3.31Å; K641-N645 PolarHBondContact O-N 3.33Å; K641-N645 VanDerWaalsContact O-N 3.08Å; K641-N645 PolarHBondContact O-ND2 3.16Å; K641-E672 WeakPolarHBondContact CE-OE2 3.47Å; K641-E672 IonicContact NZ-OE1 3.42Å; K641-E672 PolarHBondContact NZ-OE1 3.39Å; K641-E672 IonicContact NZ-OE2 3.59Å; K641-E672 PolarHBondContact NZ-OE2 2.94Å; K641-L673 HydrophobicContact CG-CD2 3.86Å; K641-M676 HydrophobicContact CB-CE 4.04Å; K641-M676 HydrophobicContact CB-SD 3.98Å; K641-M676 HydrophobicContact CD-SD 4.34Å; K641-M676 HydrophobicContact CG-CE 4.2Å; K641-M676 HydrophobicContact CG-SD 3.59Å; K641-M676 VanDerWaalsContact CG-SD 3.59Å |
| 642 | T | 85.1 | Confident | 79.9 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 111 | F638 V639 N645 G646 | F638-T642 WeakPolarHBondContact O-CB 3.48Å; F638-T642 PolarHBondContact O-N 2.99Å; F638-T642 PolarHBondContact O-OG1 3.5Å; V639-T642 PolarHBondContact O-N 3.27Å; V639-T642 VanDerWaalsContact O-N 3.14Å; T642-N645 PolarHBondContact O-N 2.86Å; T642-G646 PolarHBondContact O-N 3.04Å |
| 643 | M | 84.6 | Confident | 81.3 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 176.9 | -70.8 | 179.4 | 80.7 | 0 | 0 | 112.3 | V573 A581 L585 V639 L640 N645 G646 V651 I655 | V573-M643 HydrophobicContact CG1-CE 4.04Å; V573-M643 HydrophobicContact CG1-SD 3.38Å; V573-M643 WeakPolarHBondContact CG1-SD 3.38Å; A581-M643 HydrophobicContact CB-CE 4.48Å; L585-M643 HydrophobicContact CD2-CE 4.49Å; V639-M643 HydrophobicContact CG1-CG 4.25Å; V639-M643 HydrophobicContact CG1-SD 3.79Å; V639-M643 WeakPolarHBondContact O-CB 3.23Å; V639-M643 VanDerWaalsContact O-CG 3.31Å; V639-M643 WeakPolarHBondContact O-CG 3.3Å; V639-M643 PolarHBondContact O-N 3.36Å; L640-M643 PolarHBondContact O-N 2.79Å; M643-N645 PolarHBondContact O-N 3.26Å; M643-G646 PolarHBondContact O-N 3.4Å; M643-G646 VanDerWaalsContact O-N 3.09Å; M643-V651 HydrophobicContact CB-CG1 3.89Å; M643-V651 HydrophobicContact CE-CG1 3.89Å; M643-V651 HydrophobicContact CE-CG2 4.46Å; M643-I655 HydrophobicContact CB-CD1 3.56Å |
| 644 | F | 86.3 | Confident | 82.4 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.7 | -24.2 | 178 | -165.6 | -104.4 | 0 | 0 | 0 | 113.5 | L640 K641 G646 H652 I655 A656 M676 L677 R680 | L640-F644 WeakPolarHBondContact O-CB 3.32Å; L640-F644 PolarHBondContact O-N 2.76Å; K641-F644 PolarHBondContact O-N 3.07Å; F644-G646 VanDerWaalsContact C-N 3.33Å; F644-H652 HydrophobicContact CD2-CB 4.47Å; F644-H652 HydrophobicContact CE2-CB 4.35Å; F644-H652 WeakPolarHBondContact CE2-O 3.22Å; F644-H652 PolarHBondContact O-CD2 2.72Å; F644-H652 VanDerWaalsContact O-CD2 3.22Å; F644-H652 PolarHBondContact O-NE2 3.29Å; F644-I655 HydrophobicContact CB-CD1 4.13Å; F644-I655 HydrophobicContact CB-CG2 4.23Å; F644-I655 HydrophobicContact CD2-CB 3.85Å; F644-I655 HydrophobicContact CD2-CG2 3.63Å; F644-I655 HydrophobicContact CE2-CG2 4.35Å; F644-I655 HydrophobicContact CG-CG2 4.24Å; F644-A656 HydrophobicContact CE2-CB 4.15Å; F644-M676 HydrophobicContact CB-CE 3.86Å; F644-M676 HydrophobicContact CD1-CB 4.29Å; F644-M676 HydrophobicContact CD1-CE 3.49Å; F644-M676 VanDerWaalsContact CD1-CE 3.49Å; F644-M676 HydrophobicContact CE1-CB 4.26Å; F644-M676 HydrophobicContact CE1-CE 4.46Å; F644-M676 HydrophobicContact CG-CE 4.09Å; F644-L677 HydrophobicContact CE2-CD2 4.31Å; F644-L677 HydrophobicContact CZ-CD2 3.92Å; F644-R680 HydrophobicContact CE1-CB 3.84Å; F644-R680 HydrophobicContact CE1-CG 3.98Å; F644-R680 HydrophobicContact CZ-CB 3.97Å; F644-R680 HydrophobicContact CZ-CG 3.86Å |
| 645 | N | 81.9 | Confident | 83.2 | Confident | 118 Ų | 118 | 48.5 Ų | 48.5 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 6.2 | 173.9 | -67.6 | -28.9 | 0 | 0 | 0 | 112.7 | K641 T642 M643 M676 | K641-N645 WeakPolarHBondContact O-CB 3.48Å; K641-N645 VanDerWaalsContact O-CG 3.31Å; K641-N645 PolarHBondContact O-N 3.33Å; K641-N645 VanDerWaalsContact O-N 3.08Å; K641-N645 PolarHBondContact O-ND2 3.16Å; T642-N645 PolarHBondContact O-N 2.86Å; M643-N645 PolarHBondContact O-N 3.26Å; N645-M676 WeakPolarHBondContact OD1-CE 3.37Å |
| 646 | G | 82.6 | Confident | 84.2 | Confident | 39 Ų | 39 | 45.2 Ų | 45.2 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -76.2 | -165.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T642 M643 F644 H652 | T642-G646 PolarHBondContact O-N 3.04Å; M643-G646 PolarHBondContact O-N 3.4Å; M643-G646 VanDerWaalsContact O-N 3.09Å; F644-G646 VanDerWaalsContact C-N 3.33Å; G646-H652 PolarHBondContact O-CE1 3.39Å; G646-H652 PolarHBondContact O-NE2 2.96Å; G646-H652 VanDerWaalsContact O-NE2 3.14Å |
| 647 | S | 79.1 | Confident | 85.2 | Confident | 121 Ų | 121 | 49 Ų | 49 | 85% | 0.846 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -99.4 | -8.6 | 178.1 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | E649 | S647-E649 PolarHBondContact O-N 3.43Š|
| 648 | D | 81.6 | Confident | 85.7 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | trans | -87.6 | 109.6 | -172.7 | -169.7 | -32.9 | 0 | 0 | 0 | 111.3 | S578 H582 E650 V651 H652 | S578-D648 PolarHBondContact OG-OD2 3.45Å; H582-D648 IonicContact CE1-OD2 2.76Å; H582-D648 IonicContact NE2-OD2 3.39Å; H582-D648 PolarHBondContact NE2-OD2 2.98Å; D648-E650 PolarHBondContact O-N 3.01Å; D648-E650 PolarHBondContact OD1-N 2.91Å; D648-V651 HydrophobicContact CB-CB 3.95Å; D648-V651 HydrophobicContact CB-CG2 3.69Å; D648-V651 VanDerWaalsContact CG-CG2 3.43Å; D648-V651 WeakPolarHBondContact O-CB 3.35Å; D648-V651 PolarHBondContact O-N 3.27Å; D648-V651 PolarHBondContact OD1-N 2.96Å; D648-H652 PolarHBondContact O-CD2 3.37Å; D648-H652 VanDerWaalsContact O-CD2 3.22Å; D648-H652 PolarHBondContact O-CE1 2.85Å; D648-H652 VanDerWaalsContact O-CE1 3.31Å; D648-H652 PolarHBondContact O-N 3.19Å; D648-H652 VanDerWaalsContact O-N 3.16Å; D648-H652 PolarHBondContact O-ND1 3.07Å; D648-H652 PolarHBondContact O-NE2 3.44Å | ||
| 649 | E | 83.9 | Confident | 86.3 | Confident | 99 Ų | 99 | 42.5 Ų | 42.5 | 46% | 0.463 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.9 | -31.4 | -177.3 | -70.9 | -171.3 | -176.3 | 0 | 0 | 114 | S647 H652 I653 | S647-E649 PolarHBondContact O-N 3.43Å; E649-H652 PolarHBondContact O-N 3.45Å; E649-I653 WeakPolarHBondContact O-CG1 3.47Å; E649-I653 PolarHBondContact O-N 3.38Å |
| 650 | E | 83.1 | Confident | 87 | Confident | 128 Ų | 128 | 41.9 Ų | 41.9 | 60% | 0.598 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -69.1 | -42.4 | 177.2 | -67.8 | -173.1 | 175.4 | 0 | 0 | 110.3 | D648 H652 I653 M654 | D648-E650 PolarHBondContact O-N 3.01Å; D648-E650 PolarHBondContact OD1-N 2.91Å; E650-H652 VanDerWaalsContact C-N 3.28Å; E650-H652 PolarHBondContact O-N 3.21Å; E650-I653 PolarHBondContact O-N 3.03Å; E650-M654 WeakPolarHBondContact O-CG 3.48Å; E650-M654 PolarHBondContact O-N 3.16Å |
| 651 | V | 85.1 | Confident | 87.5 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.1 | -45 | 172.9 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | H582 M643 D648 I653 M654 I655 | H582-V651 WeakPolarHBondContact NE2-CG2 3.43Å; M643-V651 HydrophobicContact CB-CG1 3.89Å; M643-V651 HydrophobicContact CE-CG1 3.89Å; M643-V651 HydrophobicContact CE-CG2 4.46Å; D648-V651 HydrophobicContact CB-CB 3.95Å; D648-V651 HydrophobicContact CB-CG2 3.69Å; D648-V651 VanDerWaalsContact CG-CG2 3.43Å; D648-V651 WeakPolarHBondContact O-CB 3.35Å; D648-V651 PolarHBondContact O-N 3.27Å; D648-V651 PolarHBondContact OD1-N 2.96Å; V651-I653 VanDerWaalsContact C-N 3.32Å; V651-I653 PolarHBondContact O-N 3.25Å; V651-M654 HydrophobicContact CG2-CE 4.25Å; V651-M654 PolarHBondContact O-N 3.25Å; V651-I655 HydrophobicContact CG1-CD1 3.53Å; V651-I655 HydrophobicContact CG1-CG1 4.13Å; V651-I655 WeakPolarHBondContact O-CB 3.41Å; V651-I655 WeakPolarHBondContact O-CG1 3.4Å; V651-I655 PolarHBondContact O-N 2.76Å |
| 652 | H | 87.7 | Confident | 87.8 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 179.1 | -59 | 153.9 | 0 | 0 | 0 | 111.9 | F644 G646 D648 E649 E650 A656 R680 L692 | F644-H652 HydrophobicContact CD2-CB 4.47Å; F644-H652 HydrophobicContact CE2-CB 4.35Å; F644-H652 WeakPolarHBondContact CE2-O 3.22Å; F644-H652 PolarHBondContact O-CD2 2.72Å; F644-H652 VanDerWaalsContact O-CD2 3.22Å; F644-H652 PolarHBondContact O-NE2 3.29Å; G646-H652 PolarHBondContact O-CE1 3.39Å; G646-H652 PolarHBondContact O-NE2 2.96Å; G646-H652 VanDerWaalsContact O-NE2 3.14Å; D648-H652 PolarHBondContact O-CD2 3.37Å; D648-H652 VanDerWaalsContact O-CD2 3.22Å; D648-H652 PolarHBondContact O-CE1 2.85Å; D648-H652 VanDerWaalsContact O-CE1 3.31Å; D648-H652 PolarHBondContact O-N 3.19Å; D648-H652 VanDerWaalsContact O-N 3.16Å; D648-H652 PolarHBondContact O-ND1 3.07Å; D648-H652 PolarHBondContact O-NE2 3.44Å; E649-H652 PolarHBondContact O-N 3.45Å; E650-H652 VanDerWaalsContact C-N 3.28Å; E650-H652 PolarHBondContact O-N 3.21Å; H652-A656 VanDerWaalsContact O-CB 3.26Å; H652-A656 WeakPolarHBondContact O-CB 3Å; H652-A656 PolarHBondContact O-N 3.09Å; H652-R680 PolarHBondContact CE1-NH2 3.29Å; H652-R680 PolarHBondContact ND1-NH2 3.27Å; H652-L692 HydrophobicContact CB-CD2 4.05Å |
| 653 | I | 89.2 | Confident | 88.2 | Confident | 45 Ų | 45 | 41.9 Ų | 41.9 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -47.4 | 178.6 | -64.9 | 161.9 | 0 | 0 | 0 | 110.3 | E649 E650 V651 A656 E657 P691 L692 | E649-I653 WeakPolarHBondContact O-CG1 3.47Å; E649-I653 PolarHBondContact O-N 3.38Å; E650-I653 PolarHBondContact O-N 3.03Å; V651-I653 VanDerWaalsContact C-N 3.32Å; V651-I653 PolarHBondContact O-N 3.25Å; I653-A656 PolarHBondContact O-N 2.86Å; I653-E657 WeakPolarHBondContact O-CB 3.35Å; I653-E657 PolarHBondContact O-N 2.81Å; I653-P691 HydrophobicContact CD1-CB 3.97Å; I653-P691 HydrophobicContact CD1-CG 4.49Å; I653-P691 HydrophobicContact CG1-CB 4.46Å; I653-L692 HydrophobicContact CG1-CB 3.97Å |
| 654 | M | 88.6 | Confident | 88.6 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -43.8 | -179.4 | -66.6 | -173.3 | -59.9 | 0 | 0 | 112.7 | H582 L585 K586 E650 V651 E657 G658 | H582-M654 HydrophobicContact CB-CE 3.54Å; H582-M654 HydrophobicContact CB-SD 3.93Å; H582-M654 VanDerWaalsContact CD2-CE 3.45Å; H582-M654 WeakPolarHBondContact CD2-CE 3.31Å; L585-M654 HydrophobicContact CD2-CB 4.45Å; L585-M654 HydrophobicContact CD2-CE 4.31Å; K586-M654 HydrophobicContact CG-SD 4.38Å; E650-M654 WeakPolarHBondContact O-CG 3.48Å; E650-M654 PolarHBondContact O-N 3.16Å; V651-M654 HydrophobicContact CG2-CE 4.25Å; V651-M654 PolarHBondContact O-N 3.25Å; M654-E657 PolarHBondContact O-N 3.1Å; M654-G658 PolarHBondContact O-N 3.39Å |
| 655 | I | 90.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 177 | -68 | 175.4 | 0 | 0 | 0 | 109.8 | L585 L640 M643 F644 V651 G658 V659 | L585-I655 HydrophobicContact CD2-CD1 4.36Å; L585-I655 HydrophobicContact CD2-CG1 3.63Å; L640-I655 HydrophobicContact CD2-CD1 4.43Å; L640-I655 HydrophobicContact CD2-CG1 4.3Å; M643-I655 HydrophobicContact CB-CD1 3.56Å; F644-I655 HydrophobicContact CB-CD1 4.13Å; F644-I655 HydrophobicContact CB-CG2 4.23Å; F644-I655 HydrophobicContact CD2-CB 3.85Å; F644-I655 HydrophobicContact CD2-CG2 3.63Å; F644-I655 HydrophobicContact CE2-CG2 4.35Å; F644-I655 HydrophobicContact CG-CG2 4.24Å; V651-I655 HydrophobicContact CG1-CD1 3.53Å; V651-I655 HydrophobicContact CG1-CG1 4.13Å; V651-I655 WeakPolarHBondContact O-CB 3.41Å; V651-I655 WeakPolarHBondContact O-CG1 3.4Å; V651-I655 PolarHBondContact O-N 2.76Å; I655-G658 PolarHBondContact O-N 2.84Å; I655-V659 HydrophobicContact CG2-CG2 4.04Å; I655-V659 VanDerWaalsContact O-CB 3.3Å; I655-V659 WeakPolarHBondContact O-CB 3.19Å; I655-V659 VanDerWaalsContact O-CG2 3.23Å; I655-V659 WeakPolarHBondContact O-CG2 3.48Å; I655-V659 PolarHBondContact O-N 2.95Å |
| 656 | A | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F644 H652 I653 G658 C660 L677 L692 I696 | F644-A656 HydrophobicContact CE2-CB 4.15Å; H652-A656 VanDerWaalsContact O-CB 3.26Å; H652-A656 WeakPolarHBondContact O-CB 3Å; H652-A656 PolarHBondContact O-N 3.09Å; I653-A656 PolarHBondContact O-N 2.86Å; A656-G658 PolarHBondContact O-N 3.33Å; A656-C660 WeakPolarHBondContact O-CB 3.46Å; A656-C660 PolarHBondContact O-N 3.29Å; A656-C660 PolarHBondContact O-SG 3.44Å; A656-L677 HydrophobicContact CB-CD2 3.85Å; A656-L692 HydrophobicContact CB-CD1 3.38Å; A656-I696 HydrophobicContact CB-CD1 4.48Å; A656-I696 HydrophobicContact CB-CG1 4.28Å |
| 657 | E | 93.8 | Very high | 89.5 | Confident | 82 Ų | 82 | 48 Ų | 48 | 38% | 0.383 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.9 | -48 | 178.8 | -171.9 | -176.9 | 163.3 | 0 | 0 | 112.1 | I653 M654 K661 | I653-E657 WeakPolarHBondContact O-CB 3.35Å; I653-E657 PolarHBondContact O-N 2.81Å; M654-E657 PolarHBondContact O-N 3.1Å; E657-K661 HydrophobicContact CG-CD 4.09Å; E657-K661 WeakPolarHBondContact O-CB 3.38Å; E657-K661 VanDerWaalsContact O-CG 3.26Å; E657-K661 WeakPolarHBondContact O-CG 3.46Å; E657-K661 PolarHBondContact O-N 3.45Å; E657-K661 VanDerWaalsContact OE1-CE 3.29Å; E657-K661 WeakPolarHBondContact OE1-CE 3.21Å; E657-K661 IonicContact OE1-NZ 2.59Å; E657-K661 PolarHBondContact OE1-NZ 3.33Å |
| 658 | G | 92.5 | Very high | 89.9 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -49.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M654 I655 A656 K661 L662 | M654-G658 PolarHBondContact O-N 3.39Å; I655-G658 PolarHBondContact O-N 2.84Å; A656-G658 PolarHBondContact O-N 3.33Å; G658-K661 PolarHBondContact O-N 2.93Å; G658-L662 WeakPolarHBondContact O-CG 3.4Å; G658-L662 PolarHBondContact O-N 3Å |
| 659 | V | 93.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 178.3 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | F589 I655 K661 L662 M663 L668 L673 L677 | F589-V659 HydrophobicContact CE1-CG2 4.15Å; F589-V659 HydrophobicContact CZ-CG2 4.28Å; I655-V659 HydrophobicContact CG2-CG2 4.04Å; I655-V659 VanDerWaalsContact O-CB 3.3Å; I655-V659 WeakPolarHBondContact O-CB 3.19Å; I655-V659 VanDerWaalsContact O-CG2 3.23Å; I655-V659 WeakPolarHBondContact O-CG2 3.48Å; I655-V659 PolarHBondContact O-N 2.95Å; V659-K661 PolarHBondContact O-N 3.3Å; V659-L662 PolarHBondContact O-N 2.92Å; V659-M663 HydrophobicContact CG1-CE 3.65Å; V659-M663 HydrophobicContact CG1-CG 4.27Å; V659-M663 HydrophobicContact CG1-SD 3.83Å; V659-M663 WeakPolarHBondContact O-CB 3.4Å; V659-M663 WeakPolarHBondContact O-CG 3.36Å; V659-M663 PolarHBondContact O-N 2.86Å; V659-L668 HydrophobicContact CG1-CD2 4.23Å; V659-L673 HydrophobicContact CG1-CB 4.13Å; V659-L673 HydrophobicContact CG1-CD1 4.11Å; V659-L673 HydrophobicContact CG2-CD1 4.1Å; V659-L677 HydrophobicContact CB-CD1 4.42Å; V659-L677 HydrophobicContact CG1-CD1 3.78Å |
| 660 | C | 95.5 | Very high | 90.4 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -45.2 | 176.5 | -73.5 | 0 | 0 | 0 | 0 | 111.5 | A656 M663 L664 F699 | A656-C660 WeakPolarHBondContact O-CB 3.46Å; A656-C660 PolarHBondContact O-N 3.29Å; A656-C660 PolarHBondContact O-SG 3.44Å; C660-M663 PolarHBondContact O-N 2.95Å; C660-L664 VanDerWaalsContact O-CB 3.23Å; C660-L664 WeakPolarHBondContact O-CB 3.32Å; C660-L664 PolarHBondContact O-N 2.92Å; C660-F699 HydrophobicContact CB-CB 3.99Å; C660-F699 HydrophobicContact CB-CD1 4.23Å; C660-F699 HydrophobicContact CB-CD2 3.52Å; C660-F699 HydrophobicContact CB-CE2 4.01Å; C660-F699 HydrophobicContact CB-CG 3.64Å; C660-F699 VanDerWaalsContact O-CE2 3.29Å; C660-F699 WeakPolarHBondContact O-CE2 3.27Å; C660-F699 WeakPolarHBondContact SG-CD1 3.19Å; C660-F699 WeakPolarHBondContact SG-CG 3.07Å |
| 661 | K | 94.1 | Very high | 90.7 | Very high | 104 Ų | 104 | 37.3 Ų | 37.3 | 45% | 0.452 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 176.3 | -76.9 | 171.6 | 171.7 | 176.5 | 0 | 111.8 | E657 G658 V659 L664 H665 | E657-K661 HydrophobicContact CG-CD 4.09Å; E657-K661 WeakPolarHBondContact O-CB 3.38Å; E657-K661 VanDerWaalsContact O-CG 3.26Å; E657-K661 WeakPolarHBondContact O-CG 3.46Å; E657-K661 PolarHBondContact O-N 3.45Å; E657-K661 VanDerWaalsContact OE1-CE 3.29Å; E657-K661 WeakPolarHBondContact OE1-CE 3.21Å; E657-K661 IonicContact OE1-NZ 2.59Å; E657-K661 PolarHBondContact OE1-NZ 3.33Å; G658-K661 PolarHBondContact O-N 2.93Å; V659-K661 PolarHBondContact O-N 3.3Å; K661-L664 PolarHBondContact O-N 3.14Å; K661-H665 PolarHBondContact O-CD2 2.97Å; K661-H665 VanDerWaalsContact O-CD2 3.28Å; K661-H665 PolarHBondContact O-N 3.42Å |
| 662 | L | 92.5 | Very high | 91 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 178.8 | -68.5 | 176.2 | 0 | 0 | 0 | 112.4 | F589 A592 F593 F597 G658 V659 D666 R667 L668 | F589-L662 HydrophobicContact CD1-CD1 3.76Å; F589-L662 HydrophobicContact CE1-CD1 4.25Å; A592-L662 HydrophobicContact CB-CD1 3.91Å; A592-L662 HydrophobicContact CB-CD2 3.84Å; F593-L662 HydrophobicContact CB-CD2 3.91Å; F593-L662 HydrophobicContact CD2-CD2 4.15Å; F597-L662 HydrophobicContact CD2-CD1 4.4Å; G658-L662 WeakPolarHBondContact O-CG 3.4Å; G658-L662 PolarHBondContact O-N 3Å; V659-L662 PolarHBondContact O-N 2.92Å; L662-D666 PolarHBondContact O-N 2.97Å; L662-R667 HydrophobicContact CB-CB 4.27Å; L662-R667 HydrophobicContact CD2-CB 3.79Å; L662-R667 HydrophobicContact CD2-CG 4.41Å; L662-R667 WeakPolarHBondContact O-CA 3.25Å; L662-R667 WeakPolarHBondContact O-CB 3.13Å; L662-R667 PolarHBondContact O-N 2.92Å; L662-L668 HydrophobicContact CB-CB 3.64Å; L662-L668 HydrophobicContact CB-CD2 4.27Å; L662-L668 HydrophobicContact CD1-CB 4.4Å; L662-L668 HydrophobicContact CD1-CD2 4.16Å; L662-L668 PolarHBondContact O-N 3.12Å |
| 663 | M | 93.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67 | -45.9 | 175.8 | -74.5 | 180 | 173.4 | 0 | 0 | 111.7 | V659 C660 H665 D666 L668 N670 L673 L674 L677 F699 Y703 | V659-M663 HydrophobicContact CG1-CE 3.65Å; V659-M663 HydrophobicContact CG1-CG 4.27Å; V659-M663 HydrophobicContact CG1-SD 3.83Å; V659-M663 WeakPolarHBondContact O-CB 3.4Å; V659-M663 WeakPolarHBondContact O-CG 3.36Å; V659-M663 PolarHBondContact O-N 2.86Å; C660-M663 PolarHBondContact O-N 2.95Å; M663-H665 PolarHBondContact O-N 2.79Å; M663-H665 VanDerWaalsContact O-N 3.16Å; M663-D666 PolarHBondContact O-N 3.12Å; M663-D666 VanDerWaalsContact O-N 3.13Å; M663-L668 WeakPolarHBondContact CG-O 3.29Å; M663-N670 HydrophobicContact CE-CB 4.47Å; M663-N670 WeakPolarHBondContact CE-O 3.48Å; M663-L673 HydrophobicContact CE-CB 3.8Å; M663-L674 HydrophobicContact CE-CB 4.04Å; M663-L674 HydrophobicContact SD-CB 4.36Å; M663-L674 HydrophobicContact SD-CD1 4.32Å; M663-L677 HydrophobicContact SD-CD1 4.33Å; M663-F699 HydrophobicContact CB-CE2 3.98Å; M663-F699 HydrophobicContact CB-CZ 3.88Å; M663-F699 HydrophobicContact SD-CZ 4.05Å; M663-Y703 HydrophobicContact CB-CE2 4.16Å; M663-Y703 WeakPolarHBondContact O-CE2 3.28Å |
| 664 | L | 93.3 | Very high | 91.4 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 29% | 0.288 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.4 | -29.4 | -178.7 | -173.2 | 65.5 | 0 | 0 | 0 | 113 | C660 K661 F699 A702 Y703 | C660-L664 VanDerWaalsContact O-CB 3.23Å; C660-L664 WeakPolarHBondContact O-CB 3.32Å; C660-L664 PolarHBondContact O-N 2.92Å; K661-L664 PolarHBondContact O-N 3.14Å; L664-F699 HydrophobicContact CB-CE2 4.35Å; L664-A702 HydrophobicContact CD1-CB 4.25Å; L664-Y703 HydrophobicContact CD1-CD2 4.5Å |
| 665 | H | 90.8 | Very high | 91.5 | Very high | 104 Ų | 104 | 40.5 Ų | 40.5 | 48% | 0.481 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 19.7 | -179.1 | -71.6 | -86 | 0 | 0 | 0 | 113.9 | F593 K661 M663 R667 | F593-H665 HydrophobicContact CE2-CB 3.83Å; F593-H665 AromaticContact CE2-CD2 3.43Å; F593-H665 VanDerWaalsContact CE2-CD2 3.43Å; F593-H665 WeakPolarHBondContact CE2-CD2 3.35Å; F593-H665 AromaticContact CE2-CG 3.6Å; F593-H665 HydrophobicContact CZ-CB 4.31Å; F593-H665 AromaticContact CZ-CD2 3.77Å; F593-H665 AromaticContact CZ-CG 3.8Å; F593-H665 AromaticContact CZ-NE2 3.99Å; K661-H665 PolarHBondContact O-CD2 2.97Å; K661-H665 VanDerWaalsContact O-CD2 3.28Å; K661-H665 PolarHBondContact O-N 3.42Å; M663-H665 PolarHBondContact O-N 2.79Å; M663-H665 VanDerWaalsContact O-N 3.16Å; H665-R667 HydrophobicContact CB-CG 4.22Å; H665-R667 PolarHBondContact O-N 2.9Å; H665-R667 VanDerWaalsContact O-N 3.11Å |
| 666 | D | 90.1 | Very high | 91.5 | Very high | 60 Ų | 60 | 42 Ų | 42 | 32% | 0.321 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 29 | 178.2 | -72.1 | -24 | 0 | 0 | 0 | 113.8 | L662 M663 H669 R709 H710 | L662-D666 PolarHBondContact O-N 2.97Å; M663-D666 PolarHBondContact O-N 3.12Å; M663-D666 VanDerWaalsContact O-N 3.13Å; D666-H669 IonicContact OD1-CE1 2.8Å; D666-H669 PolarHBondContact OD1-CE1 3Å; D666-H669 VanDerWaalsContact OD1-CE1 3.29Å; D666-H669 IonicContact OD1-NE2 2.98Å; D666-R709 IonicContact OD2-CZ 3.85Å; D666-R709 IonicContact OD2-NH2 3.05Å; D666-R709 PolarHBondContact OD2-NH2 3.32Å; D666-H710 IonicContact OD1-CD2 3.74Å; D666-H710 IonicContact OD1-CE1 3.14Å; D666-H710 IonicContact OD1-NE2 2.79Å; D666-H710 PolarHBondContact OD1-NE2 3.1Å |
| 667 | R | 88.3 | Confident | 91.4 | Very high | 108 Ų | 108 | 42.2 Ų | 42.2 | 41% | 0.408 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -94 | -19 | 177.4 | -58.6 | -54.1 | -159.3 | 174.3 | 5.4 | 113.2 | F593 F597 L662 H665 | F593-R667 PolarHBondContact O-NE 3.08Å; F597-R667 VanDerWaalsContact CB-O 3.26Å; F597-R667 WeakPolarHBondContact CB-O 3.36Å; L662-R667 HydrophobicContact CB-CB 4.27Å; L662-R667 HydrophobicContact CD2-CB 3.79Å; L662-R667 HydrophobicContact CD2-CG 4.41Å; L662-R667 WeakPolarHBondContact O-CA 3.25Å; L662-R667 WeakPolarHBondContact O-CB 3.13Å; L662-R667 PolarHBondContact O-N 2.92Å; H665-R667 HydrophobicContact CB-CG 4.22Å; H665-R667 PolarHBondContact O-N 2.9Å; H665-R667 VanDerWaalsContact O-N 3.11Å |
| 668 | L | 87.6 | Confident | 91.3 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | trans | -144.3 | 122.7 | 179.6 | 176.8 | 63.9 | 0 | 0 | 0 | 110.2 | F597 L637 V659 L662 M663 N670 L673 | F597-L668 HydrophobicContact CD1-CD1 3.67Å; F597-L668 HydrophobicContact CE1-CD1 3.76Å; F597-L668 HydrophobicContact CG-CD1 4.1Å; F597-L668 HydrophobicContact CZ-CD1 4.33Å; L637-L668 HydrophobicContact CD2-CD1 4.43Å; V659-L668 HydrophobicContact CG1-CD2 4.23Å; L662-L668 HydrophobicContact CB-CB 3.64Å; L662-L668 HydrophobicContact CB-CD2 4.27Å; L662-L668 HydrophobicContact CD1-CB 4.4Å; L662-L668 HydrophobicContact CD1-CD2 4.16Å; L662-L668 PolarHBondContact O-N 3.12Å; M663-L668 WeakPolarHBondContact CG-O 3.29Å; L668-N670 HydrophobicContact CD1-CB 4.36Å; L668-L673 HydrophobicContact CD2-CD1 3.84Å | ||
| 669 | H | 86.1 | Confident | 91.1 | Very high | 109 Ų | 109 | 38.7 Ų | 38.7 | 51% | 0.505 | 19% | 0.189 | S | C | . | . | trans | -116.6 | 114 | 168.7 | -58.4 | -70.2 | 0 | 0 | 0 | 108.8 | D666 | D666-H669 IonicContact OD1-CE1 2.8Å; D666-H669 PolarHBondContact OD1-CE1 3Å; D666-H669 VanDerWaalsContact OD1-CE1 3.29Å; D666-H669 IonicContact OD1-NE2 2.98Å | ||
| 670 | N | 88.7 | Confident | 90.7 | Very high | 29 Ų | 29 | 41.4 Ų | 41.4 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | trans | -150.5 | 108.1 | 177.6 | -168.6 | -83.6 | 0 | 0 | 0 | 110.8 | M663 L668 E672 L673 L674 | M663-N670 HydrophobicContact CE-CB 4.47Å; M663-N670 WeakPolarHBondContact CE-O 3.48Å; L668-N670 HydrophobicContact CD1-CB 4.36Å; N670-E672 VanDerWaalsContact C-N 3.26Å; N670-E672 PolarHBondContact O-N 3.41Å; N670-E672 WeakPolarHBondContact OD1-CB 3.28Å; N670-E672 PolarHBondContact OD1-N 2.86Å; N670-L673 HydrophobicContact CB-CB 4.17Å; N670-L673 HydrophobicContact CB-CD1 4.08Å; N670-L673 HydrophobicContact CB-CG 4.21Å; N670-L673 PolarHBondContact O-N 3.05Å; N670-L673 PolarHBondContact OD1-N 2.99Å; N670-L674 PolarHBondContact O-N 2.75Å; N670-L674 VanDerWaalsContact O-N 3.08Å | ||
| 671 | A | 91.1 | Very high | 90.3 | Very high | 33 Ų | 33 | 41.5 Ų | 41.5 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.9 | -35.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L674 T675 V717 | A671-L674 PolarHBondContact O-N 3.22Å; A671-T675 WeakPolarHBondContact O-CB 3.39Å; A671-T675 PolarHBondContact O-N 2.94Å; A671-T675 PolarHBondContact O-OG1 3.03Å; A671-V717 HydrophobicContact CB-CG1 3.73Å; A671-V717 WeakPolarHBondContact O-CG1 3.3Å |
| 672 | E | 89.8 | Confident | 89.7 | Confident | 116 Ų | 116 | 38.3 Ų | 38.3 | 54% | 0.542 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -70.8 | -44.2 | -179.9 | -65.6 | 178 | -123.5 | 0 | 0 | 112.4 | K641 N670 L674 T675 M676 | K641-E672 WeakPolarHBondContact CE-OE2 3.47Å; K641-E672 IonicContact NZ-OE1 3.42Å; K641-E672 PolarHBondContact NZ-OE1 3.39Å; K641-E672 IonicContact NZ-OE2 3.59Å; K641-E672 PolarHBondContact NZ-OE2 2.94Å; N670-E672 VanDerWaalsContact C-N 3.26Å; N670-E672 PolarHBondContact O-N 3.41Å; N670-E672 WeakPolarHBondContact OD1-CB 3.28Å; N670-E672 PolarHBondContact OD1-N 2.86Å; E672-L674 VanDerWaalsContact C-N 3.31Å; E672-L674 PolarHBondContact O-N 3.15Å; E672-T675 WeakPolarHBondContact O-CB 3.33Å; E672-T675 PolarHBondContact O-N 3.13Å; E672-M676 WeakPolarHBondContact O-CG 3.47Å; E672-M676 PolarHBondContact O-N 3.29Å |
| 673 | L | 91.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.6 | -71.9 | 179.5 | 0 | 0 | 0 | 111.4 | L637 K641 V659 M663 L668 N670 T675 M676 L677 | L637-L673 HydrophobicContact CD2-CD1 3.43Å; L637-L673 VanDerWaalsContact CD2-CD1 3.43Å; L637-L673 HydrophobicContact CD2-CG 4.15Å; K641-L673 HydrophobicContact CG-CD2 3.86Å; V659-L673 HydrophobicContact CG1-CB 4.13Å; V659-L673 HydrophobicContact CG1-CD1 4.11Å; V659-L673 HydrophobicContact CG2-CD1 4.1Å; M663-L673 HydrophobicContact CE-CB 3.8Å; L668-L673 HydrophobicContact CD2-CD1 3.84Å; N670-L673 HydrophobicContact CB-CB 4.17Å; N670-L673 HydrophobicContact CB-CD1 4.08Å; N670-L673 HydrophobicContact CB-CG 4.21Å; N670-L673 PolarHBondContact O-N 3.05Å; N670-L673 PolarHBondContact OD1-N 2.99Å; L673-T675 VanDerWaalsContact C-N 3.34Å; L673-M676 PolarHBondContact O-N 3.23Å; L673-L677 WeakPolarHBondContact O-CG 3.41Å; L673-L677 PolarHBondContact O-N 3.36Å |
| 674 | L | 93.9 | Very high | 87.7 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 175.9 | -178.4 | 61.6 | 0 | 0 | 0 | 111.1 | M663 N670 A671 E672 M676 L677 I678 F699 L700 A713 I714 V717 | M663-L674 HydrophobicContact CE-CB 4.04Å; M663-L674 HydrophobicContact SD-CB 4.36Å; M663-L674 HydrophobicContact SD-CD1 4.32Å; N670-L674 PolarHBondContact O-N 2.75Å; N670-L674 VanDerWaalsContact O-N 3.08Å; A671-L674 PolarHBondContact O-N 3.22Å; E672-L674 VanDerWaalsContact C-N 3.31Å; E672-L674 PolarHBondContact O-N 3.15Å; L674-M676 VanDerWaalsContact C-N 3.32Å; L674-M676 PolarHBondContact O-N 2.96Å; L674-L677 PolarHBondContact O-N 2.93Å; L674-I678 HydrophobicContact CD1-CD1 4.07Å; L674-I678 HydrophobicContact CD1-CG1 4.37Å; L674-I678 HydrophobicContact CG-CD1 4Å; L674-I678 WeakPolarHBondContact O-CG1 3.41Å; L674-I678 PolarHBondContact O-N 3.19Å; L674-F699 HydrophobicContact CD1-CE1 4.19Å; L674-L700 HydrophobicContact CD1-CD2 4.18Å; L674-A713 HydrophobicContact CD2-CB 4.39Å; L674-I714 HydrophobicContact CD2-CG1 4.22Å; L674-V717 HydrophobicContact CB-CG1 4.3Å; L674-V717 HydrophobicContact CD2-CG1 4.12Å; L674-V717 HydrophobicContact CD2-CG2 3.78Å; L674-V717 HydrophobicContact CG-CG1 4.38Å; L674-V717 HydrophobicContact CG-CG2 3.99Å |
| 675 | T | 92.1 | Very high | 86.4 | Confident | 21 Ų | 21 | 40.1 Ų | 40.1 | 13% | 0.129 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.9 | -47.2 | 172.8 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | A671 E672 L673 I678 C679 V717 P720 V721 | A671-T675 WeakPolarHBondContact O-CB 3.39Å; A671-T675 PolarHBondContact O-N 2.94Å; A671-T675 PolarHBondContact O-OG1 3.03Å; E672-T675 WeakPolarHBondContact O-CB 3.33Å; E672-T675 PolarHBondContact O-N 3.13Å; L673-T675 VanDerWaalsContact C-N 3.34Å; T675-I678 PolarHBondContact O-N 3.08Å; T675-C679 WeakPolarHBondContact O-CB 3.38Å; T675-C679 PolarHBondContact O-N 3.02Å; T675-C679 PolarHBondContact O-SG 3.1Å; T675-V717 WeakPolarHBondContact OG1-CB 3.21Å; T675-V717 WeakPolarHBondContact OG1-CG1 3.49Å; T675-P720 HydrophobicContact CG2-CB 3.94Å; T675-V721 HydrophobicContact CG2-CG2 3.89Å |
| 676 | M | 89.7 | Confident | 85.2 | Confident | 33 Ų | 33 | 35.4 Ų | 35.4 | 16% | 0.163 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 179.6 | -73.1 | 176.3 | 59 | 0 | 0 | 113 | K641 F644 N645 E672 L673 L674 C679 R680 | K641-M676 HydrophobicContact CB-CE 4.04Å; K641-M676 HydrophobicContact CB-SD 3.98Å; K641-M676 HydrophobicContact CD-SD 4.34Å; K641-M676 HydrophobicContact CG-CE 4.2Å; K641-M676 HydrophobicContact CG-SD 3.59Å; K641-M676 VanDerWaalsContact CG-SD 3.59Å; F644-M676 HydrophobicContact CB-CE 3.86Å; F644-M676 HydrophobicContact CD1-CB 4.29Å; F644-M676 HydrophobicContact CD1-CE 3.49Å; F644-M676 VanDerWaalsContact CD1-CE 3.49Å; F644-M676 HydrophobicContact CE1-CB 4.26Å; F644-M676 HydrophobicContact CE1-CE 4.46Å; F644-M676 HydrophobicContact CG-CE 4.09Å; N645-M676 WeakPolarHBondContact OD1-CE 3.37Å; E672-M676 WeakPolarHBondContact O-CG 3.47Å; E672-M676 PolarHBondContact O-N 3.29Å; L673-M676 PolarHBondContact O-N 3.23Å; L674-M676 VanDerWaalsContact C-N 3.32Å; L674-M676 PolarHBondContact O-N 2.96Å; M676-C679 PolarHBondContact O-N 2.92Å; M676-R680 VanDerWaalsContact O-CB 3.24Å; M676-R680 WeakPolarHBondContact O-CB 3.31Å; M676-R680 PolarHBondContact O-N 3.45Å |
| 677 | L | 92.1 | Very high | 84 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 176.6 | -70.1 | 172.5 | 0 | 0 | 0 | 111.4 | F644 A656 V659 M663 L673 L674 R680 L681 I696 F699 | F644-L677 HydrophobicContact CE2-CD2 4.31Å; F644-L677 HydrophobicContact CZ-CD2 3.92Å; A656-L677 HydrophobicContact CB-CD2 3.85Å; V659-L677 HydrophobicContact CB-CD1 4.42Å; V659-L677 HydrophobicContact CG1-CD1 3.78Å; M663-L677 HydrophobicContact SD-CD1 4.33Å; L673-L677 WeakPolarHBondContact O-CG 3.41Å; L673-L677 PolarHBondContact O-N 3.36Å; L674-L677 PolarHBondContact O-N 2.93Å; L677-R680 PolarHBondContact O-N 2.95Å; L677-L681 PolarHBondContact O-N 3.15Å; L677-I696 HydrophobicContact CB-CG2 4.47Å; L677-I696 HydrophobicContact CD2-CD1 4.16Å; L677-I696 HydrophobicContact CD2-CG1 4.27Å; L677-F699 HydrophobicContact CD1-CE1 4.32Å |
| 678 | I | 91.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 179.4 | -64.1 | 168.6 | 0 | 0 | 0 | 110.3 | L674 T675 R680 L681 F682 L700 V717 V721 L746 | L674-I678 HydrophobicContact CD1-CD1 4.07Å; L674-I678 HydrophobicContact CD1-CG1 4.37Å; L674-I678 HydrophobicContact CG-CD1 4Å; L674-I678 WeakPolarHBondContact O-CG1 3.41Å; L674-I678 PolarHBondContact O-N 3.19Å; T675-I678 PolarHBondContact O-N 3.08Å; I678-R680 VanDerWaalsContact C-N 3.25Å; I678-R680 PolarHBondContact O-N 3.44Å; I678-L681 WeakPolarHBondContact O-CB 3.27Å; I678-L681 PolarHBondContact O-N 2.82Å; I678-L681 VanDerWaalsContact O-N 3.16Å; I678-F682 HydrophobicContact CG2-CD2 4.18Å; I678-F682 HydrophobicContact CG2-CE2 4.18Å; I678-F682 VanDerWaalsContact O-CD2 3.32Å; I678-F682 WeakPolarHBondContact O-CD2 3.49Å; I678-F682 PolarHBondContact O-N 3.48Å; I678-L700 HydrophobicContact CD1-CD2 4.27Å; I678-L700 HydrophobicContact CG1-CD1 4.12Å; I678-L700 HydrophobicContact CG1-CD2 3.84Å; I678-V717 HydrophobicContact CD1-CG2 3.89Å; I678-V721 HydrophobicContact CB-CG1 4.43Å; I678-V721 HydrophobicContact CB-CG2 3.89Å; I678-V721 HydrophobicContact CD1-CG2 4.18Å; I678-V721 HydrophobicContact CG2-CB 4.36Å; I678-V721 HydrophobicContact CG2-CG1 3.58Å; I678-V721 HydrophobicContact CG2-CG2 3.83Å; I678-L746 HydrophobicContact CD1-CD2 4.15Å; I678-L746 HydrophobicContact CG2-CD2 3.98Å |
| 679 | C | 87.9 | Confident | 83.1 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 10% | 0.095 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 176.8 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | T675 M676 L681 F682 S683 L725 | T675-C679 WeakPolarHBondContact O-CB 3.38Å; T675-C679 PolarHBondContact O-N 3.02Å; T675-C679 PolarHBondContact O-SG 3.1Å; M676-C679 PolarHBondContact O-N 2.92Å; C679-L681 VanDerWaalsContact C-N 3.32Å; C679-L681 PolarHBondContact O-N 3.07Å; C679-F682 PolarHBondContact O-N 3.31Å; C679-S683 PolarHBondContact O-N 3.33Å; C679-L725 HydrophobicContact CB-CD2 4.29Å |
| 680 | R | 86.1 | Confident | 83.2 | Confident | 58 Ų | 58 | 39.1 Ų | 39.1 | 22% | 0.219 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -33.5 | 178.3 | -167.7 | 60.2 | 168.9 | -175.2 | -3.8 | 112.8 | F644 H652 M676 L677 I678 F682 S685 S686 L692 I696 | F644-R680 HydrophobicContact CE1-CB 3.84Å; F644-R680 HydrophobicContact CE1-CG 3.98Å; F644-R680 HydrophobicContact CZ-CB 3.97Å; F644-R680 HydrophobicContact CZ-CG 3.86Å; H652-R680 PolarHBondContact CE1-NH2 3.29Å; H652-R680 PolarHBondContact ND1-NH2 3.27Å; M676-R680 VanDerWaalsContact O-CB 3.24Å; M676-R680 WeakPolarHBondContact O-CB 3.31Å; M676-R680 PolarHBondContact O-N 3.45Å; L677-R680 PolarHBondContact O-N 2.95Å; I678-R680 VanDerWaalsContact C-N 3.25Å; I678-R680 PolarHBondContact O-N 3.44Å; R680-F682 VanDerWaalsContact C-N 3.29Å; R680-F682 PolarHBondContact O-N 3.16Å; R680-S685 PolarHBondContact NH1-OG 3.3Å; R680-S686 VanDerWaalsContact O-CB 3.3Å; R680-S686 WeakPolarHBondContact O-CB 3.26Å; R680-L692 HydrophobicContact CG-CD2 3.85Å; R680-I696 HydrophobicContact CB-CD1 4.41Å |
| 681 | L | 86.4 | Confident | 83.2 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -35.8 | 174.8 | 175 | 62.1 | 0 | 0 | 0 | 112.6 | L677 I678 C679 S686 R693 I696 S697 L700 F745 | L677-L681 PolarHBondContact O-N 3.15Å; I678-L681 WeakPolarHBondContact O-CB 3.27Å; I678-L681 PolarHBondContact O-N 2.82Å; I678-L681 VanDerWaalsContact O-N 3.16Å; C679-L681 VanDerWaalsContact C-N 3.32Å; C679-L681 PolarHBondContact O-N 3.07Å; L681-S686 PolarHBondContact O-OG 3.4Å; L681-R693 HydrophobicContact CD1-CG 3.81Å; L681-I696 HydrophobicContact CB-CG2 3.97Å; L681-I696 HydrophobicContact CD2-CG2 4.22Å; L681-I696 HydrophobicContact CG-CG2 4.5Å; L681-S697 VanDerWaalsContact CD1-OG 3.25Å; L681-S697 WeakPolarHBondContact CD1-OG 3.37Å; L681-L700 HydrophobicContact CD2-CD1 3.68Å; L681-F745 HydrophobicContact CD2-CE1 4.1Å |
| 682 | F | 81.6 | Confident | 83.1 | Confident | 36 Ų | 36 | 39.6 Ų | 39.6 | 16% | 0.158 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -100.9 | -6.2 | -176.7 | -66.4 | -74.9 | 0 | 0 | 0 | 113.9 | I678 C679 R680 L725 M734 T742 F745 | I678-F682 HydrophobicContact CG2-CD2 4.18Å; I678-F682 HydrophobicContact CG2-CE2 4.18Å; I678-F682 VanDerWaalsContact O-CD2 3.32Å; I678-F682 WeakPolarHBondContact O-CD2 3.49Å; I678-F682 PolarHBondContact O-N 3.48Å; C679-F682 PolarHBondContact O-N 3.31Å; R680-F682 VanDerWaalsContact C-N 3.29Å; R680-F682 PolarHBondContact O-N 3.16Å; F682-L725 HydrophobicContact CB-CD1 4.36Å; F682-L725 HydrophobicContact CB-CD2 4.2Å; F682-M734 WeakPolarHBondContact O-CE 3.47Å; F682-T742 HydrophobicContact CD1-CG2 4.27Å; F682-T742 WeakPolarHBondContact CD1-OG1 3.33Å; F682-T742 HydrophobicContact CD2-CG2 3.61Å; F682-T742 HydrophobicContact CE1-CG2 4.32Å; F682-T742 HydrophobicContact CE2-CG2 3.69Å; F682-T742 HydrophobicContact CG-CG2 3.92Å; F682-T742 WeakPolarHBondContact CG-OG1 3.27Å; F682-T742 HydrophobicContact CZ-CG2 4.05Å; F682-F745 HydrophobicContact CE2-CD1 4Å; F682-F745 HydrophobicContact CZ-CB 4.13Å; F682-F745 AromaticContact CZ-CD1 3.58Å; F682-F745 HydrophobicContact CZ-CD1 3.58Å; F682-F745 HydrophobicContact CZ-CE1 4.29Å; F682-F745 HydrophobicContact CZ-CG 4.11Å |
| 683 | S | 76.5 | Confident | 83 | Confident | 13 Ų | 13 | 39.5 Ų | 39.5 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -65.1 | 141.3 | 172.3 | 169.6 | 0 | 0 | 0 | 0 | 111 | C679 S685 S686 | C679-S683 PolarHBondContact O-N 3.33Å; S683-S685 PolarHBondContact O-N 3.4Å; S683-S685 VanDerWaalsContact O-N 3.1Å; S683-S685 PolarHBondContact OG-N 3.47Å; S683-S685 PolarHBondContact OG-OG 3.24Å; S683-S686 VanDerWaalsContact O-CB 3.27Å; S683-S686 WeakPolarHBondContact O-CB 3.44Å; S683-S686 PolarHBondContact O-N 2.88Å; S683-S686 PolarHBondContact O-OG 3.09Å |
| 684 | P | 68 | Low | 83 | Confident | 42 Ų | 42 | 46 Ų | 46 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -54.6 | -29.2 | 173.7 | -25.1 | 33.3 | 0 | 0 | 0 | 113.7 | S686 E687 M734 | P684-S686 PolarHBondContact O-N 3.48Å; P684-E687 PolarHBondContact O-N 3.15Å; P684-M734 HydrophobicContact CG-CG 4.04Å |
| 685 | S | 66.7 | Low | 83 | Confident | 41 Ų | 41 | 47.1 Ų | 47.1 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -64 | -19.4 | 177.3 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | R680 S683 E687 N688 | R680-S685 PolarHBondContact NH1-OG 3.3Å; S683-S685 PolarHBondContact O-N 3.4Å; S683-S685 VanDerWaalsContact O-N 3.1Å; S683-S685 PolarHBondContact OG-N 3.47Å; S683-S685 PolarHBondContact OG-OG 3.24Å; S685-E687 VanDerWaalsContact C-N 3.29Å; S685-E687 PolarHBondContact O-N 3.3Å; S685-N688 PolarHBondContact O-N 3.35Å |
| 686 | S | 64.7 | Low | 83.1 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -69.8 | -23.8 | 178.7 | 70.9 | 0 | 0 | 0 | 0 | 113.7 | R680 L681 S683 P684 N688 N689 | R680-S686 VanDerWaalsContact O-CB 3.3Å; R680-S686 WeakPolarHBondContact O-CB 3.26Å; L681-S686 PolarHBondContact O-OG 3.4Å; S683-S686 VanDerWaalsContact O-CB 3.27Å; S683-S686 WeakPolarHBondContact O-CB 3.44Å; S683-S686 PolarHBondContact O-N 2.88Å; S683-S686 PolarHBondContact O-OG 3.09Å; P684-S686 PolarHBondContact O-N 3.48Å; S686-N688 PolarHBondContact O-N 3.14Å; S686-N689 CarbonylContact O-C 3.56Å; S686-N689 PolarHBondContact O-N 2.89Å |
| 687 | E | 65.4 | Low | 83.1 | Confident | 144 Ų | 144 | 46.9 Ų | 46.9 | 67% | 0.673 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -63 | -26.5 | 177.8 | -64.4 | -165.9 | 159.3 | 0 | 0 | 112 | P684 S685 | P684-E687 PolarHBondContact O-N 3.15Å; S685-E687 VanDerWaalsContact C-N 3.29Å; S685-E687 PolarHBondContact O-N 3.3Å |
| 688 | N | 73.8 | Confident | 83.2 | Confident | 124 Ų | 124 | 50.4 Ų | 50.4 | 66% | 0.663 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -83.2 | -10.7 | 177.3 | -64.2 | -22.5 | 0 | 0 | 0 | 113.4 | S685 S686 P690 | S685-N688 PolarHBondContact O-N 3.35Å; S686-N688 PolarHBondContact O-N 3.14Å; N688-P690 WeakPolarHBondContact O-CD 3.36Å |
| 689 | N | 82.8 | Confident | 83.4 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | trans | -128.2 | 78.5 | -178.6 | -167 | -32.5 | 0 | 0 | 0 | 112.1 | S686 P691 L692 R693 | S686-N689 CarbonylContact O-C 3.56Å; S686-N689 PolarHBondContact O-N 2.89Å; N689-P691 WeakPolarHBondContact OD1-CD 3.3Å; N689-L692 HydrophobicContact CB-CB 4.13Å; N689-L692 VanDerWaalsContact CG-CB 3.47Å; N689-L692 PolarHBondContact O-N 3.23Å; N689-L692 WeakPolarHBondContact OD1-CB 3.22Å; N689-L692 PolarHBondContact OD1-N 2.95Å; N689-R693 PolarHBondContact O-N 2.96Å; N689-R693 VanDerWaalsContact O-N 3.12Å | ||
| 690 | P | 87.1 | Confident | 83.8 | Confident | 85 Ų | 85 | 50.2 Ų | 50.2 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -56.9 | -40.4 | 178.1 | -22.1 | 31.5 | 0 | 0 | 0 | 114.9 | N688 R693 Q694 | N688-P690 WeakPolarHBondContact O-CD 3.36Å; P690-R693 PolarHBondContact O-N 3.41Å; P690-Q694 WeakPolarHBondContact O-CB 3.39Å; P690-Q694 PolarHBondContact O-N 2.87Å |
| 691 | P | 89 | Confident | 84.2 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 177.4 | -25.7 | 34.7 | 0 | 0 | 0 | 113.4 | I653 N689 Q694 C695 | I653-P691 HydrophobicContact CD1-CB 3.97Å; I653-P691 HydrophobicContact CD1-CG 4.49Å; I653-P691 HydrophobicContact CG1-CB 4.46Å; N689-P691 WeakPolarHBondContact OD1-CD 3.3Å; P691-Q694 PolarHBondContact O-N 3.36Å; P691-C695 WeakPolarHBondContact O-CB 3.46Å; P691-C695 PolarHBondContact O-N 3.25Å |
| 692 | L | 89.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 176.6 | 179 | 63.5 | 0 | 0 | 0 | 111 | H652 I653 A656 R680 N689 Q694 C695 I696 | H652-L692 HydrophobicContact CB-CD2 4.05Å; I653-L692 HydrophobicContact CG1-CB 3.97Å; A656-L692 HydrophobicContact CB-CD1 3.38Å; R680-L692 HydrophobicContact CG-CD2 3.85Å; N689-L692 HydrophobicContact CB-CB 4.13Å; N689-L692 VanDerWaalsContact CG-CB 3.47Å; N689-L692 PolarHBondContact O-N 3.23Å; N689-L692 WeakPolarHBondContact OD1-CB 3.22Å; N689-L692 PolarHBondContact OD1-N 2.95Å; L692-Q694 VanDerWaalsContact C-N 3.31Å; L692-Q694 PolarHBondContact O-N 3.38Å; L692-C695 WeakPolarHBondContact O-CB 3.42Å; L692-C695 PolarHBondContact O-N 3.41Å; L692-I696 HydrophobicContact CD1-CD1 3.89Å; L692-I696 HydrophobicContact CD1-CG1 4.39Å; L692-I696 HydrophobicContact CG-CD1 4.08Å; L692-I696 WeakPolarHBondContact O-CG1 3.48Å; L692-I696 PolarHBondContact O-N 3.4Å |
| 693 | R | 88.7 | Confident | 85.2 | Confident | 114 Ų | 114 | 49.4 Ų | 49.4 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 177.9 | 179.8 | 167.4 | -177.8 | 158.3 | 0.8 | 111.4 | L681 N689 P690 S697 | L681-R693 HydrophobicContact CD1-CG 3.81Å; N689-R693 PolarHBondContact O-N 2.96Å; N689-R693 VanDerWaalsContact O-N 3.12Å; P690-R693 PolarHBondContact O-N 3.41Å; R693-S697 WeakPolarHBondContact O-CB 3.31Å; R693-S697 PolarHBondContact O-N 2.83Å; R693-S697 PolarHBondContact O-OG 3.43Å |
| 694 | Q | 90.9 | Very high | 86.1 | Confident | 142 Ų | 142 | 48.8 Ų | 48.8 | 66% | 0.664 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 177.8 | -177.2 | 177.5 | -4.3 | 0 | 0 | 111.6 | P690 P691 L692 S697 S698 | P690-Q694 WeakPolarHBondContact O-CB 3.39Å; P690-Q694 PolarHBondContact O-N 2.87Å; P691-Q694 PolarHBondContact O-N 3.36Å; L692-Q694 VanDerWaalsContact C-N 3.31Å; L692-Q694 PolarHBondContact O-N 3.38Å; Q694-S697 PolarHBondContact O-N 3.35Å; Q694-S698 WeakPolarHBondContact O-CB 3.47Å; Q694-S698 PolarHBondContact O-N 2.99Å; Q694-S698 PolarHBondContact O-OG 3.01Å; Q694-S698 VanDerWaalsContact O-OG 3.08Å |
| 695 | C | 93.1 | Very high | 87.3 | Confident | 28 Ų | 28 | 48.3 Ų | 48.3 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 177.5 | -179 | 0 | 0 | 0 | 0 | 111.8 | P691 L692 S698 F699 | P691-C695 WeakPolarHBondContact O-CB 3.46Å; P691-C695 PolarHBondContact O-N 3.25Å; L692-C695 WeakPolarHBondContact O-CB 3.42Å; L692-C695 PolarHBondContact O-N 3.41Å; C695-S698 PolarHBondContact O-OG 2.78Å; C695-F699 VanDerWaalsContact O-CB 3.3Å; C695-F699 WeakPolarHBondContact O-CB 3.42Å; C695-F699 PolarHBondContact O-N 3.24Å |
| 696 | I | 93.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71 | -40 | -178.8 | -58.1 | 169.9 | 0 | 0 | 0 | 111 | A656 L677 R680 L681 L692 S698 F699 L700 | A656-I696 HydrophobicContact CB-CD1 4.48Å; A656-I696 HydrophobicContact CB-CG1 4.28Å; L677-I696 HydrophobicContact CB-CG2 4.47Å; L677-I696 HydrophobicContact CD2-CD1 4.16Å; L677-I696 HydrophobicContact CD2-CG1 4.27Å; R680-I696 HydrophobicContact CB-CD1 4.41Å; L681-I696 HydrophobicContact CB-CG2 3.97Å; L681-I696 HydrophobicContact CD2-CG2 4.22Å; L681-I696 HydrophobicContact CG-CG2 4.5Å; L692-I696 HydrophobicContact CD1-CD1 3.89Å; L692-I696 HydrophobicContact CD1-CG1 4.39Å; L692-I696 HydrophobicContact CG-CD1 4.08Å; L692-I696 WeakPolarHBondContact O-CG1 3.48Å; L692-I696 PolarHBondContact O-N 3.4Å; I696-S698 VanDerWaalsContact C-N 3.31Å; I696-S698 PolarHBondContact O-N 3.39Å; I696-F699 PolarHBondContact O-N 3.48Å; I696-L700 HydrophobicContact CG2-CD1 3.88Å; I696-L700 HydrophobicContact CG2-CG 4.13Å; I696-L700 WeakPolarHBondContact O-CG 3.2Å; I696-L700 PolarHBondContact O-N 3.34Å |
| 697 | S | 91 | Very high | 89.7 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 34% | 0.343 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.6 | -32.3 | -179.9 | -60.4 | 0 | 0 | 0 | 0 | 113 | L681 R693 Q694 P701 | L681-S697 VanDerWaalsContact CD1-OG 3.25Å; L681-S697 WeakPolarHBondContact CD1-OG 3.37Å; R693-S697 WeakPolarHBondContact O-CB 3.31Å; R693-S697 PolarHBondContact O-N 2.83Å; R693-S697 PolarHBondContact O-OG 3.43Å; Q694-S697 PolarHBondContact O-N 3.35Å; S697-P701 WeakPolarHBondContact O-CD 3.13Å |
| 698 | S | 92.9 | Very high | 90.9 | Very high | 77 Ų | 77 | 44.1 Ų | 44.1 | 54% | 0.538 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -79.6 | -37.6 | 175.1 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | Q694 C695 I696 A702 | Q694-S698 WeakPolarHBondContact O-CB 3.47Å; Q694-S698 PolarHBondContact O-N 2.99Å; Q694-S698 PolarHBondContact O-OG 3.01Å; Q694-S698 VanDerWaalsContact O-OG 3.08Å; C695-S698 PolarHBondContact O-OG 2.78Å; I696-S698 VanDerWaalsContact C-N 3.31Å; I696-S698 PolarHBondContact O-N 3.39Å; S698-A702 WeakPolarHBondContact O-CB 3.49Å |
| 699 | F | 96.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 4% | 0.044 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -51.4 | 177.6 | 160.7 | -106.5 | 0 | 0 | 0 | 112.9 | C660 M663 L664 L674 L677 C695 I696 A702 Y703 | C660-F699 HydrophobicContact CB-CB 3.99Å; C660-F699 HydrophobicContact CB-CD1 4.23Å; C660-F699 HydrophobicContact CB-CD2 3.52Å; C660-F699 HydrophobicContact CB-CE2 4.01Å; C660-F699 HydrophobicContact CB-CG 3.64Å; C660-F699 VanDerWaalsContact O-CE2 3.29Å; C660-F699 WeakPolarHBondContact O-CE2 3.27Å; C660-F699 WeakPolarHBondContact SG-CD1 3.19Å; C660-F699 WeakPolarHBondContact SG-CG 3.07Å; M663-F699 HydrophobicContact CB-CE2 3.98Å; M663-F699 HydrophobicContact CB-CZ 3.88Å; M663-F699 HydrophobicContact SD-CZ 4.05Å; L664-F699 HydrophobicContact CB-CE2 4.35Å; L674-F699 HydrophobicContact CD1-CE1 4.19Å; L677-F699 HydrophobicContact CD1-CE1 4.32Å; C695-F699 VanDerWaalsContact O-CB 3.3Å; C695-F699 WeakPolarHBondContact O-CB 3.42Å; C695-F699 PolarHBondContact O-N 3.24Å; I696-F699 PolarHBondContact O-N 3.48Å; F699-A702 CarbonylContact O-C 3.5Å; F699-A702 WeakPolarHBondContact O-CB 3.49Å; F699-A702 PolarHBondContact O-N 2.97Å; F699-Y703 HydrophobicContact CE2-CD1 4.47Å; F699-Y703 HydrophobicContact CE2-CD2 4.06Å; F699-Y703 AromaticContact CE2-CG 3.79Å; F699-Y703 HydrophobicContact CE2-CG 3.79Å; F699-Y703 AromaticContact CZ-CD1 3.94Å; F699-Y703 HydrophobicContact CZ-CD1 3.94Å; F699-Y703 HydrophobicContact CZ-CD2 4.24Å; F699-Y703 AromaticContact CZ-CG 3.72Å; F699-Y703 HydrophobicContact CZ-CG 3.72Å; F699-Y703 WeakPolarHBondContact O-CB 3.23Å; F699-Y703 PolarHBondContact O-N 3.34Å |
| 700 | L | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -47.4 | -167.9 | -74 | 171.5 | 0 | 0 | 0 | 113.7 | L674 I678 L681 I696 Y703 A704 F745 L749 | L674-L700 HydrophobicContact CD1-CD2 4.18Å; I678-L700 HydrophobicContact CD1-CD2 4.27Å; I678-L700 HydrophobicContact CG1-CD1 4.12Å; I678-L700 HydrophobicContact CG1-CD2 3.84Å; L681-L700 HydrophobicContact CD2-CD1 3.68Å; I696-L700 HydrophobicContact CG2-CD1 3.88Å; I696-L700 HydrophobicContact CG2-CG 4.13Å; I696-L700 WeakPolarHBondContact O-CG 3.2Å; I696-L700 PolarHBondContact O-N 3.34Å; L700-Y703 PolarHBondContact O-N 3.34Å; L700-A704 WeakPolarHBondContact O-CB 3.45Å; L700-A704 PolarHBondContact O-N 3.41Å; L700-F745 HydrophobicContact CB-CE1 4.46Å; L700-F745 HydrophobicContact CB-CZ 4.44Å; L700-F745 HydrophobicContact CD1-CE1 3.81Å; L700-F745 HydrophobicContact CD1-CZ 4.46Å; L700-L749 HydrophobicContact CB-CD1 3.9Å; L700-L749 HydrophobicContact CB-CD2 4.42Å; L700-L749 HydrophobicContact CD1-CD1 4.38Å |
| 701 | P | 94.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 40.7 Ų | 40.7 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 173.5 | -22.4 | 35 | 0 | 0 | 0 | 113 | S697 Y703 A704 F705 L749 | S697-P701 WeakPolarHBondContact O-CD 3.13Å; P701-Y703 VanDerWaalsContact C-N 3.29Å; P701-Y703 PolarHBondContact O-N 3.17Å; P701-A704 PolarHBondContact O-N 2.84Å; P701-F705 HydrophobicContact CB-CD2 4Å; P701-F705 HydrophobicContact CB-CE2 3.76Å; P701-F705 VanDerWaalsContact O-CB 3.31Å; P701-F705 WeakPolarHBondContact O-CB 3.35Å; P701-F705 VanDerWaalsContact O-CD2 3.3Å; P701-F705 WeakPolarHBondContact O-CD2 3.19Å; P701-F705 VanDerWaalsContact O-CG 3.28Å; P701-F705 WeakPolarHBondContact O-CG 3.3Å; P701-F705 PolarHBondContact O-N 2.8Å; P701-L749 HydrophobicContact CB-CD2 4.38Å; P701-L749 HydrophobicContact CG-CD2 4.2Å |
| 702 | A | 93.9 | Very high | 92.8 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -37.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L664 S698 F699 N706 | L664-A702 HydrophobicContact CD1-CB 4.25Å; S698-A702 WeakPolarHBondContact O-CB 3.49Å; F699-A702 CarbonylContact O-C 3.5Å; F699-A702 WeakPolarHBondContact O-CB 3.49Å; F699-A702 PolarHBondContact O-N 2.97Å; A702-N706 VanDerWaalsContact O-CB 3.25Å; A702-N706 WeakPolarHBondContact O-CB 3.37Å |
| 703 | Y | 95.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.1 | -56.9 | 174.9 | -175.8 | -118.7 | 0 | 0 | 0 | 111.2 | M663 L664 F699 L700 P701 F705 N706 H710 I714 | M663-Y703 HydrophobicContact CB-CE2 4.16Å; M663-Y703 WeakPolarHBondContact O-CE2 3.28Å; L664-Y703 HydrophobicContact CD1-CD2 4.5Å; F699-Y703 HydrophobicContact CE2-CD1 4.47Å; F699-Y703 HydrophobicContact CE2-CD2 4.06Å; F699-Y703 AromaticContact CE2-CG 3.79Å; F699-Y703 HydrophobicContact CE2-CG 3.79Å; F699-Y703 AromaticContact CZ-CD1 3.94Å; F699-Y703 HydrophobicContact CZ-CD1 3.94Å; F699-Y703 HydrophobicContact CZ-CD2 4.24Å; F699-Y703 AromaticContact CZ-CG 3.72Å; F699-Y703 HydrophobicContact CZ-CG 3.72Å; F699-Y703 WeakPolarHBondContact O-CB 3.23Å; F699-Y703 PolarHBondContact O-N 3.34Å; L700-Y703 PolarHBondContact O-N 3.34Å; P701-Y703 VanDerWaalsContact C-N 3.29Å; P701-Y703 PolarHBondContact O-N 3.17Å; Y703-F705 VanDerWaalsContact C-N 3.34Å; Y703-F705 PolarHBondContact O-N 3.06Å; Y703-N706 PolarHBondContact O-N 3.02Å; Y703-H710 HydrophobicContact CD1-CB 3.96Å; Y703-H710 HydrophobicContact CD2-CB 4.2Å; Y703-H710 AromaticContact CD2-CE1 3.82Å; Y703-H710 AromaticContact CD2-CG 3.72Å; Y703-H710 AromaticContact CD2-ND1 3.49Å; Y703-H710 WeakPolarHBondContact CD2-ND1 3.35Å; Y703-H710 HydrophobicContact CE1-CB 3.72Å; Y703-H710 HydrophobicContact CE2-CB 3.96Å; Y703-H710 AromaticContact CE2-CD2 3.34Å; Y703-H710 WeakPolarHBondContact CE2-CD2 3.23Å; Y703-H710 AromaticContact CE2-CE1 3.57Å; Y703-H710 AromaticContact CE2-CG 3.33Å; Y703-H710 AromaticContact CE2-ND1 3.47Å; Y703-H710 WeakPolarHBondContact CE2-ND1 3.23Å; Y703-H710 AromaticContact CE2-NE2 3.51Å; Y703-H710 HydrophobicContact CG-CB 4.19Å; Y703-H710 AromaticContact CZ-CD2 3.46Å; Y703-H710 VanDerWaalsContact CZ-CD2 3.46Å; Y703-H710 AromaticContact CZ-CG 3.5Å; Y703-H710 VanDerWaalsContact O-CB 3.27Å; Y703-H710 WeakPolarHBondContact O-CB 3.46Å; Y703-H710 PolarHBondContact O-ND1 2.63Å; Y703-H710 PolarHBondContact OH-CD2 2.78Å; Y703-I714 HydrophobicContact CD1-CD1 4.44Å |
| 704 | A | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -37.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L700 P701 Q711 I714 L749 | L700-A704 WeakPolarHBondContact O-CB 3.45Å; L700-A704 PolarHBondContact O-N 3.41Å; P701-A704 PolarHBondContact O-N 2.84Å; A704-Q711 WeakPolarHBondContact O-CG 3.47Å; A704-I714 HydrophobicContact CB-CD1 3.42Å; A704-I714 VanDerWaalsContact CB-CD1 3.42Å; A704-L749 HydrophobicContact CB-CB 4.06Å; A704-L749 HydrophobicContact CB-CD2 3.97Å |
| 705 | F | 94.2 | Very high | 93.6 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -89.7 | -10.4 | -172.4 | -57.4 | -25.2 | 0 | 0 | 0 | 113.7 | P701 Y703 L749 F754 L755 E756 | P701-F705 HydrophobicContact CB-CD2 4Å; P701-F705 HydrophobicContact CB-CE2 3.76Å; P701-F705 VanDerWaalsContact O-CB 3.31Å; P701-F705 WeakPolarHBondContact O-CB 3.35Å; P701-F705 VanDerWaalsContact O-CD2 3.3Å; P701-F705 WeakPolarHBondContact O-CD2 3.19Å; P701-F705 VanDerWaalsContact O-CG 3.28Å; P701-F705 WeakPolarHBondContact O-CG 3.3Å; P701-F705 PolarHBondContact O-N 2.8Å; Y703-F705 VanDerWaalsContact C-N 3.34Å; Y703-F705 PolarHBondContact O-N 3.06Å; F705-L749 HydrophobicContact CE1-CD2 4.3Å; F705-L749 HydrophobicContact CZ-CD2 4.07Å; F705-F754 WeakPolarHBondContact CB-O 3.28Å; F705-F754 HydrophobicContact CD1-CB 3.65Å; F705-F754 HydrophobicContact CD2-CB 4.3Å; F705-F754 HydrophobicContact CE1-CB 3.35Å; F705-F754 HydrophobicContact CE1-CG 4.18Å; F705-F754 HydrophobicContact CE2-CB 4.04Å; F705-F754 HydrophobicContact CG-CB 4.13Å; F705-F754 WeakPolarHBondContact CG-O 3.23Å; F705-F754 HydrophobicContact CZ-CB 3.57Å; F705-F754 HydrophobicContact CZ-CG 4.07Å; F705-L755 CarbonylContact O-C 3.45Å; F705-L755 WeakPolarHBondContact O-CA 3.28Å; F705-E756 HydrophobicContact CB-CG 4.44Å; F705-E756 PolarHBondContact O-N 3.2Å |
| 706 | N | 90.6 | Very high | 93.7 | Very high | 65 Ų | 65 | 41.5 Ų | 41.5 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -80.7 | -29.6 | -178.1 | -169.2 | 39.2 | 0 | 0 | 0 | 113.5 | A702 Y703 A759 | A702-N706 VanDerWaalsContact O-CB 3.25Å; A702-N706 WeakPolarHBondContact O-CB 3.37Å; Y703-N706 PolarHBondContact O-N 3.02Å; N706-A759 WeakPolarHBondContact O-CB 3.41Å |
| 707 | D | 90.7 | Very high | 93.7 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | trans | -151.7 | 141 | -179.3 | -165.3 | -47.2 | 0 | 0 | 0 | 111.6 | R709 H710 Q711 | D707-R709 PolarHBondContact O-N 2.97Å; D707-R709 WeakPolarHBondContact OD1-CB 3.44Å; D707-R709 WeakPolarHBondContact OD1-CG 3.45Å; D707-R709 PolarHBondContact OD1-N 2.67Å; D707-R709 IonicContact OD1-NE 2.75Å; D707-R709 PolarHBondContact OD1-NE 2.83Å; D707-R709 IonicContact OD2-CZ 3.66Å; D707-R709 VanDerWaalsContact OD2-CZ 3.28Å; D707-R709 IonicContact OD2-NE 3.83Å; D707-R709 PolarHBondContact OD2-NE 2.9Å; D707-R709 IonicContact OD2-NH2 3.94Å; D707-R709 PolarHBondContact OD2-NH2 3.34Å; D707-H710 WeakPolarHBondContact O-CB 3.32Å; D707-H710 PolarHBondContact O-N 2.97Å; D707-H710 VanDerWaalsContact O-N 3.1Å; D707-Q711 PolarHBondContact O-N 3.07Å | ||
| 708 | S | 90.5 | Very high | 93.9 | Very high | 29 Ų | 29 | 41.4 Ų | 41.4 | 20% | 0.203 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.3 | -33.1 | 173.3 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | H710 Q711 E712 P760 | S708-H710 PolarHBondContact O-N 3.33Å; S708-Q711 WeakPolarHBondContact O-CB 3.38Å; S708-Q711 PolarHBondContact O-N 3.06Å; S708-Q711 VanDerWaalsContact O-N 3.13Å; S708-E712 PolarHBondContact O-N 3.05Å; S708-P760 PolarHBondContact N-O 2.96Å; S708-P760 PolarHBondContact OG-O 3.31Å |
| 709 | R | 91.7 | Very high | 93.9 | Very high | 131 Ų | 131 | 41.8 Ų | 41.8 | 49% | 0.494 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.3 | -30.5 | 177.2 | -63.4 | 175.4 | -65.8 | 147.8 | 9.7 | 111.7 | D666 D707 E712 A713 | D666-R709 IonicContact OD2-CZ 3.85Å; D666-R709 IonicContact OD2-NH2 3.05Å; D666-R709 PolarHBondContact OD2-NH2 3.32Å; D707-R709 PolarHBondContact O-N 2.97Å; D707-R709 WeakPolarHBondContact OD1-CB 3.44Å; D707-R709 WeakPolarHBondContact OD1-CG 3.45Å; D707-R709 PolarHBondContact OD1-N 2.67Å; D707-R709 IonicContact OD1-NE 2.75Å; D707-R709 PolarHBondContact OD1-NE 2.83Å; D707-R709 IonicContact OD2-CZ 3.66Å; D707-R709 VanDerWaalsContact OD2-CZ 3.28Å; D707-R709 IonicContact OD2-NE 3.83Å; D707-R709 PolarHBondContact OD2-NE 2.9Å; D707-R709 IonicContact OD2-NH2 3.94Å; D707-R709 PolarHBondContact OD2-NH2 3.34Å; R709-E712 PolarHBondContact O-N 3.46Å; R709-A713 PolarHBondContact O-N 3.41Å |
| 710 | H | 94.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.9 | -36.6 | 175.8 | -57.4 | 165.5 | 0 | 0 | 0 | 111.6 | D666 Y703 D707 S708 E712 A713 I714 | D666-H710 IonicContact OD1-CD2 3.74Å; D666-H710 IonicContact OD1-CE1 3.14Å; D666-H710 IonicContact OD1-NE2 2.79Å; D666-H710 PolarHBondContact OD1-NE2 3.1Å; Y703-H710 HydrophobicContact CD1-CB 3.96Å; Y703-H710 HydrophobicContact CD2-CB 4.2Å; Y703-H710 AromaticContact CD2-CE1 3.82Å; Y703-H710 AromaticContact CD2-CG 3.72Å; Y703-H710 AromaticContact CD2-ND1 3.49Å; Y703-H710 WeakPolarHBondContact CD2-ND1 3.35Å; Y703-H710 HydrophobicContact CE1-CB 3.72Å; Y703-H710 HydrophobicContact CE2-CB 3.96Å; Y703-H710 AromaticContact CE2-CD2 3.34Å; Y703-H710 WeakPolarHBondContact CE2-CD2 3.23Å; Y703-H710 AromaticContact CE2-CE1 3.57Å; Y703-H710 AromaticContact CE2-CG 3.33Å; Y703-H710 AromaticContact CE2-ND1 3.47Å; Y703-H710 WeakPolarHBondContact CE2-ND1 3.23Å; Y703-H710 AromaticContact CE2-NE2 3.51Å; Y703-H710 HydrophobicContact CG-CB 4.19Å; Y703-H710 AromaticContact CZ-CD2 3.46Å; Y703-H710 VanDerWaalsContact CZ-CD2 3.46Å; Y703-H710 AromaticContact CZ-CG 3.5Å; Y703-H710 VanDerWaalsContact O-CB 3.27Å; Y703-H710 WeakPolarHBondContact O-CB 3.46Å; Y703-H710 PolarHBondContact O-ND1 2.63Å; Y703-H710 PolarHBondContact OH-CD2 2.78Å; D707-H710 WeakPolarHBondContact O-CB 3.32Å; D707-H710 PolarHBondContact O-N 2.97Å; D707-H710 VanDerWaalsContact O-N 3.1Å; S708-H710 PolarHBondContact O-N 3.33Å; H710-E712 VanDerWaalsContact C-N 3.3Å; H710-A713 PolarHBondContact O-N 3.13Å; H710-I714 WeakPolarHBondContact O-CG1 3.47Å; H710-I714 PolarHBondContact O-N 2.98Å |
| 711 | Q | 94.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 170.6 | -59.7 | -165 | -51.6 | 0 | 0 | 110.6 | A704 D707 S708 A713 I714 V715 L749 C751 L755 | A704-Q711 WeakPolarHBondContact O-CG 3.47Å; D707-Q711 PolarHBondContact O-N 3.07Å; S708-Q711 WeakPolarHBondContact O-CB 3.38Å; S708-Q711 PolarHBondContact O-N 3.06Å; S708-Q711 VanDerWaalsContact O-N 3.13Å; Q711-A713 PolarHBondContact O-N 3.26Å; Q711-I714 PolarHBondContact O-N 3.21Å; Q711-I714 VanDerWaalsContact O-N 3.16Å; Q711-V715 WeakPolarHBondContact O-CG2 3.21Å; Q711-V715 PolarHBondContact O-N 3.38Å; Q711-L749 PolarHBondContact NE2-O 3.27Å; Q711-C751 PolarHBondContact NE2-O 3.18Å; Q711-C751 VanDerWaalsContact NE2-O 3.1Å; Q711-L755 HydrophobicContact CG-CD2 4.14Å |
| 712 | E | 93.3 | Very high | 93 | Very high | 133 Ų | 133 | 43.4 Ų | 43.4 | 62% | 0.621 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.7 | -42.4 | 174.9 | -69.3 | 175.8 | 178 | 0 | 0 | 112.2 | S708 R709 H710 I714 V715 E716 | S708-E712 PolarHBondContact O-N 3.05Å; R709-E712 PolarHBondContact O-N 3.46Å; H710-E712 VanDerWaalsContact C-N 3.3Å; E712-I714 VanDerWaalsContact C-N 3.3Å; E712-I714 PolarHBondContact O-N 2.85Å; E712-V715 WeakPolarHBondContact O-CB 3.45Å; E712-V715 PolarHBondContact O-N 2.88Å; E712-V715 VanDerWaalsContact O-N 3.13Å; E712-E716 PolarHBondContact O-N 3.03Å |
| 713 | A | 94.2 | Very high | 92.6 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -37.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L674 R709 H710 Q711 E716 V717 | L674-A713 HydrophobicContact CD2-CB 4.39Å; R709-A713 PolarHBondContact O-N 3.41Å; H710-A713 PolarHBondContact O-N 3.13Å; Q711-A713 PolarHBondContact O-N 3.26Å; A713-E716 WeakPolarHBondContact O-CB 3.31Å; A713-E716 PolarHBondContact O-N 3.15Å; A713-V717 PolarHBondContact O-N 2.94Å |
| 714 | I | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.3 | -37.3 | 174.1 | -65.1 | 170.7 | 0 | 0 | 0 | 111.2 | L674 Y703 A704 H710 Q711 E712 E716 V717 F718 L746 L749 T750 | L674-I714 HydrophobicContact CD2-CG1 4.22Å; Y703-I714 HydrophobicContact CD1-CD1 4.44Å; A704-I714 HydrophobicContact CB-CD1 3.42Å; A704-I714 VanDerWaalsContact CB-CD1 3.42Å; H710-I714 WeakPolarHBondContact O-CG1 3.47Å; H710-I714 PolarHBondContact O-N 2.98Å; Q711-I714 PolarHBondContact O-N 3.21Å; Q711-I714 VanDerWaalsContact O-N 3.16Å; E712-I714 VanDerWaalsContact C-N 3.3Å; E712-I714 PolarHBondContact O-N 2.85Å; I714-E716 VanDerWaalsContact C-N 3.33Å; I714-V717 WeakPolarHBondContact O-CG2 3.22Å; I714-V717 PolarHBondContact O-N 2.89Å; I714-F718 PolarHBondContact O-N 3.44Å; I714-L746 HydrophobicContact CG2-CD2 4.21Å; I714-L749 HydrophobicContact CD1-CB 4.1Å; I714-L749 HydrophobicContact CD1-CD1 4.33Å; I714-L749 HydrophobicContact CG2-CB 4.43Å; I714-T750 HydrophobicContact CB-CG2 3.97Å; I714-T750 HydrophobicContact CG2-CG2 3.57Å |
| 715 | V | 95.2 | Very high | 91.2 | Very high | 83 Ų | 83 | 50.7 Ų | 50.7 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 174 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | Q711 E712 V717 F718 T750 | Q711-V715 WeakPolarHBondContact O-CG2 3.21Å; Q711-V715 PolarHBondContact O-N 3.38Å; E712-V715 WeakPolarHBondContact O-CB 3.45Å; E712-V715 PolarHBondContact O-N 2.88Å; E712-V715 VanDerWaalsContact O-N 3.13Å; V715-V717 VanDerWaalsContact C-N 3.31Å; V715-V717 PolarHBondContact O-N 3.17Å; V715-F718 VanDerWaalsContact O-CB 3.24Å; V715-F718 WeakPolarHBondContact O-CB 3.41Å; V715-F718 PolarHBondContact O-N 2.95Å; V715-T750 HydrophobicContact CG2-CG2 3.54Å |
| 716 | E | 95.3 | Very high | 90.5 | Very high | 137 Ų | 137 | 52.7 Ų | 52.7 | 64% | 0.64 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -57.5 | -43.4 | 178 | -173.2 | -174.4 | 167.9 | 0 | 0 | 111.8 | E712 A713 I714 | E712-E716 PolarHBondContact O-N 3.03Å; A713-E716 WeakPolarHBondContact O-CB 3.31Å; A713-E716 PolarHBondContact O-N 3.15Å; I714-E716 VanDerWaalsContact C-N 3.33Å |
| 717 | V | 94.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -86.1 | -5.2 | -178.7 | -56.9 | 0 | 0 | 0 | 0 | 114.2 | A671 L674 T675 I678 A713 I714 V715 I719 P720 V721 | A671-V717 HydrophobicContact CB-CG1 3.73Å; A671-V717 WeakPolarHBondContact O-CG1 3.3Å; L674-V717 HydrophobicContact CB-CG1 4.3Å; L674-V717 HydrophobicContact CD2-CG1 4.12Å; L674-V717 HydrophobicContact CD2-CG2 3.78Å; L674-V717 HydrophobicContact CG-CG1 4.38Å; L674-V717 HydrophobicContact CG-CG2 3.99Å; T675-V717 WeakPolarHBondContact OG1-CB 3.21Å; T675-V717 WeakPolarHBondContact OG1-CG1 3.49Å; I678-V717 HydrophobicContact CD1-CG2 3.89Å; A713-V717 PolarHBondContact O-N 2.94Å; I714-V717 WeakPolarHBondContact O-CG2 3.22Å; I714-V717 PolarHBondContact O-N 2.89Å; V715-V717 VanDerWaalsContact C-N 3.31Å; V715-V717 PolarHBondContact O-N 3.17Å; V717-I719 PolarHBondContact O-N 2.95Å; V717-P720 VanDerWaalsContact O-CD 3.3Å; V717-P720 WeakPolarHBondContact O-CD 3.4Å; V717-V721 HydrophobicContact CB-CG2 4.46Å; V717-V721 HydrophobicContact CG2-CG2 4.43Å; V717-V721 WeakPolarHBondContact O-CB 3.49Å; V717-V721 VanDerWaalsContact O-CG2 3.29Å; V717-V721 WeakPolarHBondContact O-CG2 3.43Å; V717-V721 PolarHBondContact O-N 2.99Å |
| 718 | F | 94.1 | Very high | 88.2 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 20% | 0.197 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.6 | -51 | -176.4 | -169.5 | -76.3 | 0 | 0 | 0 | 111.9 | I714 V715 V722 I743 L746 V747 | I714-F718 PolarHBondContact O-N 3.44Å; V715-F718 VanDerWaalsContact O-CB 3.24Å; V715-F718 WeakPolarHBondContact O-CB 3.41Å; V715-F718 PolarHBondContact O-N 2.95Å; F718-V722 HydrophobicContact CD1-CG2 4.17Å; F718-V722 HydrophobicContact CE1-CG2 3.97Å; F718-V722 WeakPolarHBondContact O-CG2 3.42Å; F718-V722 PolarHBondContact O-N 2.98Å; F718-V722 VanDerWaalsContact O-N 3.09Å; F718-I743 HydrophobicContact CZ-CG2 4.34Å; F718-L746 HydrophobicContact CD2-CB 3.73Å; F718-L746 HydrophobicContact CD2-CD1 4.12Å; F718-L746 HydrophobicContact CE2-CB 3.46Å; F718-L746 VanDerWaalsContact CE2-CB 3.46Å; F718-L746 HydrophobicContact CE2-CD1 4.2Å; F718-L746 HydrophobicContact CE2-CG 4.49Å; F718-L746 HydrophobicContact CZ-CB 4.42Å; F718-V747 HydrophobicContact CE2-CG2 4.16Å; F718-V747 HydrophobicContact CZ-CG2 4.3Å |
| 719 | I | 92.5 | Very high | 86.5 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 44% | 0.441 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70 | -45.3 | -179.3 | -59.9 | -64.2 | 0 | 0 | 0 | 112.1 | V717 V721 V722 R723 | V717-I719 PolarHBondContact O-N 2.95Å; I719-V721 VanDerWaalsContact C-N 3.34Å; I719-V721 PolarHBondContact O-N 3.41Å; I719-V722 PolarHBondContact O-N 3.47Å; I719-R723 HydrophobicContact CG2-CG 4.33Å; I719-R723 VanDerWaalsContact CG2-CZ 3.43Å; I719-R723 WeakPolarHBondContact O-CB 3.4Å; I719-R723 WeakPolarHBondContact O-CG 3.41Å; I719-R723 PolarHBondContact O-N 3.47Å |
| 720 | P | 91.3 | Very high | 84.6 | Confident | 53 Ų | 53 | 67 Ų | 67 | 34% | 0.344 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -51.3 | -46.8 | 170.2 | -31.1 | 35 | 0 | 0 | 0 | 114.4 | T675 V717 R723 A724 | T675-P720 HydrophobicContact CG2-CB 3.94Å; V717-P720 VanDerWaalsContact O-CD 3.3Å; V717-P720 WeakPolarHBondContact O-CD 3.4Å; P720-R723 PolarHBondContact O-N 2.94Å; P720-A724 WeakPolarHBondContact O-CB 3.28Å; P720-A724 PolarHBondContact O-N 3.3Å |
| 721 | V | 89.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -51.6 | 178.1 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | T675 I678 V717 I719 R723 A724 L725 L746 | T675-V721 HydrophobicContact CG2-CG2 3.89Å; I678-V721 HydrophobicContact CB-CG1 4.43Å; I678-V721 HydrophobicContact CB-CG2 3.89Å; I678-V721 HydrophobicContact CD1-CG2 4.18Å; I678-V721 HydrophobicContact CG2-CB 4.36Å; I678-V721 HydrophobicContact CG2-CG1 3.58Å; I678-V721 HydrophobicContact CG2-CG2 3.83Å; V717-V721 HydrophobicContact CB-CG2 4.46Å; V717-V721 HydrophobicContact CG2-CG2 4.43Å; V717-V721 WeakPolarHBondContact O-CB 3.49Å; V717-V721 VanDerWaalsContact O-CG2 3.29Å; V717-V721 WeakPolarHBondContact O-CG2 3.43Å; V717-V721 PolarHBondContact O-N 2.99Å; I719-V721 VanDerWaalsContact C-N 3.34Å; I719-V721 PolarHBondContact O-N 3.41Å; V721-R723 VanDerWaalsContact C-N 3.31Å; V721-R723 PolarHBondContact O-N 2.94Å; V721-A724 PolarHBondContact O-N 2.86Å; V721-L725 HydrophobicContact CG1-CD1 3.68Å; V721-L725 HydrophobicContact CG1-CG 4.34Å; V721-L725 VanDerWaalsContact O-CG 3.31Å; V721-L725 WeakPolarHBondContact O-CG 3.49Å; V721-L725 PolarHBondContact O-N 3.22Å; V721-L746 HydrophobicContact CB-CD1 4.47Å; V721-L746 HydrophobicContact CG1-CD1 4.01Å |
| 722 | V | 87.3 | Confident | 80.3 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 18% | 0.176 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.6 | -43.3 | -179.5 | 171.8 | 0 | 0 | 0 | 0 | 111 | F718 I719 L725 C726 I743 | F718-V722 HydrophobicContact CD1-CG2 4.17Å; F718-V722 HydrophobicContact CE1-CG2 3.97Å; F718-V722 WeakPolarHBondContact O-CG2 3.42Å; F718-V722 PolarHBondContact O-N 2.98Å; F718-V722 VanDerWaalsContact O-N 3.09Å; I719-V722 PolarHBondContact O-N 3.47Å; V722-L725 PolarHBondContact O-N 3.13Å; V722-C726 WeakPolarHBondContact O-CB 3.41Å; V722-C726 PolarHBondContact O-N 3.41Å; V722-C726 PolarHBondContact O-SG 3.26Å; V722-I743 HydrophobicContact CG2-CG1 4.42Å |
| 723 | R | 86.9 | Confident | 78.3 | Confident | 164 Ų | 164 | 72.5 Ų | 72.5 | 62% | 0.619 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 177.1 | -74.6 | 179.8 | -174.9 | 153.2 | 2.8 | 112.5 | I719 P720 V721 C726 N727 | I719-R723 HydrophobicContact CG2-CG 4.33Å; I719-R723 VanDerWaalsContact CG2-CZ 3.43Å; I719-R723 WeakPolarHBondContact O-CB 3.4Å; I719-R723 WeakPolarHBondContact O-CG 3.41Å; I719-R723 PolarHBondContact O-N 3.47Å; P720-R723 PolarHBondContact O-N 2.94Å; V721-R723 VanDerWaalsContact C-N 3.31Å; V721-R723 PolarHBondContact O-N 2.94Å; R723-C726 PolarHBondContact O-N 3.09Å; R723-N727 WeakPolarHBondContact O-CB 3.41Å; R723-N727 PolarHBondContact O-N 3.49Å; R723-N727 PolarHBondContact O-ND2 2.83Å |
| 724 | A | 81.7 | Confident | 76.1 | Confident | 37 Ų | 37 | 74 Ų | 74 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | P720 V721 N727 E728 | P720-A724 WeakPolarHBondContact O-CB 3.28Å; P720-A724 PolarHBondContact O-N 3.3Å; V721-A724 PolarHBondContact O-N 2.86Å; A724-N727 PolarHBondContact O-N 2.92Å; A724-E728 PolarHBondContact O-N 3.39Å |
| 725 | L | 78.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 177 | -62.7 | 170.9 | 0 | 0 | 0 | 111.8 | C679 F682 V721 V722 N727 F731 T742 | C679-L725 HydrophobicContact CB-CD2 4.29Å; F682-L725 HydrophobicContact CB-CD1 4.36Å; F682-L725 HydrophobicContact CB-CD2 4.2Å; V721-L725 HydrophobicContact CG1-CD1 3.68Å; V721-L725 HydrophobicContact CG1-CG 4.34Å; V721-L725 VanDerWaalsContact O-CG 3.31Å; V721-L725 WeakPolarHBondContact O-CG 3.49Å; V721-L725 PolarHBondContact O-N 3.22Å; V722-L725 PolarHBondContact O-N 3.13Å; L725-N727 VanDerWaalsContact C-N 3.29Å; L725-N727 PolarHBondContact O-N 2.87Å; L725-F731 HydrophobicContact CB-CD1 4.48Å; L725-F731 HydrophobicContact CB-CD2 4.01Å; L725-F731 HydrophobicContact CB-CE1 4.21Å; L725-F731 HydrophobicContact CB-CE2 3.74Å; L725-F731 HydrophobicContact CB-CG 4.37Å; L725-F731 HydrophobicContact CB-CZ 3.81Å; L725-F731 HydrophobicContact CD1-CE2 4.39Å; L725-F731 HydrophobicContact CD1-CZ 4.17Å; L725-F731 HydrophobicContact CD2-CD2 3.97Å; L725-F731 HydrophobicContact CD2-CE2 3.31Å; L725-F731 HydrophobicContact CD2-CZ 3.93Å; L725-F731 HydrophobicContact CG-CE2 3.97Å; L725-F731 HydrophobicContact CG-CZ 4.17Å; L725-F731 WeakPolarHBondContact O-CB 3.38Å; L725-F731 WeakPolarHBondContact O-CD2 3.35Å; L725-F731 WeakPolarHBondContact O-CG 3.24Å; L725-T742 HydrophobicContact CD1-CG2 3.67Å |
| 726 | C | 78.7 | Confident | 72.1 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 49% | 0.493 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.2 | -27.4 | 175.1 | -69.1 | 0 | 0 | 0 | 0 | 114 | V722 R723 | V722-C726 WeakPolarHBondContact O-CB 3.41Å; V722-C726 PolarHBondContact O-N 3.41Å; V722-C726 PolarHBondContact O-SG 3.26Å; R723-C726 PolarHBondContact O-N 3.09Å |
| 727 | N | 72.6 | Confident | 70 | Confident | 133 Ų | 133 | 75.7 Ų | 75.7 | 71% | 0.711 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -87.8 | -17.6 | -177 | -74.9 | -14.5 | 0 | 0 | 0 | 113.5 | R723 A724 L725 E729 | R723-N727 WeakPolarHBondContact O-CB 3.41Å; R723-N727 PolarHBondContact O-N 3.49Å; R723-N727 PolarHBondContact O-ND2 2.83Å; A724-N727 PolarHBondContact O-N 2.92Å; L725-N727 VanDerWaalsContact C-N 3.29Å; L725-N727 PolarHBondContact O-N 2.87Å; N727-E729 PolarHBondContact O-N 3.5Å |
| 728 | E | 61.6 | Low | 68.7 | Low | 76 Ų | 76 | 76.1 Ų | 76.1 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | trans | -67 | 121.1 | 175.1 | -81 | -169.9 | 171.3 | 0 | 0 | 110.3 | A724 K730 F731 | A724-E728 PolarHBondContact O-N 3.39Å; E728-K730 PolarHBondContact O-N 3.48Å; E728-F731 HydrophobicContact CB-CB 4.22Å; E728-F731 WeakPolarHBondContact O-CB 3.46Å; E728-F731 PolarHBondContact O-N 2.98Å | ||
| 729 | E | 54.9 | Low | 67.9 | Low | 187 Ų | 187 | 75.9 Ų | 75.9 | 87% | 0.874 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -52 | -34 | 176.2 | -68 | -176.5 | 159.2 | 0 | 0 | 112.1 | N727 G732 | N727-E729 PolarHBondContact O-N 3.5Å; E729-G732 PolarHBondContact O-N 3.44Å |
| 730 | K | 50.7 | Low | 67.3 | Low | 139 Ų | 139 | 76.1 Ų | 76.1 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -75.6 | -19.9 | 178.1 | -68.7 | -173 | 178 | -179.4 | 0 | 114.2 | E728 G732 E733 M734 | E728-K730 PolarHBondContact O-N 3.48Å; K730-G732 PolarHBondContact O-N 3.28Å; K730-E733 WeakPolarHBondContact O-CB 3.29Å; K730-E733 PolarHBondContact O-N 3.18Å; K730-M734 PolarHBondContact O-N 3.47Å |
| 731 | F | 49.7 | Very low | 66.8 | Low | 17 Ų | 17 | 79.6 Ų | 79.6 | 8% | 0.075 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -69.6 | -18.8 | 168.9 | -126.3 | -91.5 | 0 | 0 | 0 | 111.4 | L725 E728 E733 M734 L739 | L725-F731 HydrophobicContact CB-CD1 4.48Å; L725-F731 HydrophobicContact CB-CD2 4.01Å; L725-F731 HydrophobicContact CB-CE1 4.21Å; L725-F731 HydrophobicContact CB-CE2 3.74Å; L725-F731 HydrophobicContact CB-CG 4.37Å; L725-F731 HydrophobicContact CB-CZ 3.81Å; L725-F731 HydrophobicContact CD1-CE2 4.39Å; L725-F731 HydrophobicContact CD1-CZ 4.17Å; L725-F731 HydrophobicContact CD2-CD2 3.97Å; L725-F731 HydrophobicContact CD2-CE2 3.31Å; L725-F731 HydrophobicContact CD2-CZ 3.93Å; L725-F731 HydrophobicContact CG-CE2 3.97Å; L725-F731 HydrophobicContact CG-CZ 4.17Å; L725-F731 WeakPolarHBondContact O-CB 3.38Å; L725-F731 WeakPolarHBondContact O-CD2 3.35Å; L725-F731 WeakPolarHBondContact O-CG 3.24Å; E728-F731 HydrophobicContact CB-CB 4.22Å; E728-F731 WeakPolarHBondContact O-CB 3.46Å; E728-F731 PolarHBondContact O-N 2.98Å; F731-E733 PolarHBondContact O-N 2.71Å; F731-M734 HydrophobicContact CD1-CB 4.05Å; F731-M734 HydrophobicContact CD1-CE 4.5Å; F731-M734 HydrophobicContact CD2-CE 4.05Å; F731-M734 HydrophobicContact CE1-CB 4.27Å; F731-M734 HydrophobicContact CE1-CE 3.86Å; F731-M734 HydrophobicContact CE2-CE 3.28Å; F731-M734 HydrophobicContact CG-CB 4.29Å; F731-M734 HydrophobicContact CZ-CE 3.2Å; F731-M734 CarbonylContact O-C 3.46Å; F731-M734 PolarHBondContact O-N 2.7Å; F731-M734 VanDerWaalsContact O-N 3.14Å; F731-L739 HydrophobicContact CE1-CB 4.16Å; F731-L739 HydrophobicContact CE1-CD1 4.29Å |
| 732 | G | 48.3 | Very low | 66.4 | Low | 71 Ų | 71 | 79.6 Ų | 79.6 | 73% | 0.732 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -60.1 | -25.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E729 K730 | E729-G732 PolarHBondContact O-N 3.44Å; K730-G732 PolarHBondContact O-N 3.28Å |
| 733 | E | 50.5 | Low | 66.4 | Low | 171 Ų | 171 | 80.7 Ų | 80.7 | 80% | 0.799 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -26.6 | 172.8 | -61.3 | -173 | 160.6 | 0 | 0 | 112.5 | K730 F731 S735 | K730-E733 WeakPolarHBondContact O-CB 3.29Å; K730-E733 PolarHBondContact O-N 3.18Å; F731-E733 PolarHBondContact O-N 2.71Å; E733-S735 PolarHBondContact O-N 3.49Å |
| 734 | M | 49.7 | Very low | 66.6 | Low | 53 Ų | 53 | 78.3 Ų | 78.3 | 26% | 0.261 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -73.2 | 110.1 | 166.3 | -75.2 | -122 | -73.2 | 0 | 0 | 109.3 | F682 P684 K730 F731 | F682-M734 WeakPolarHBondContact O-CE 3.47Å; P684-M734 HydrophobicContact CG-CG 4.04Å; K730-M734 PolarHBondContact O-N 3.47Å; F731-M734 HydrophobicContact CD1-CB 4.05Å; F731-M734 HydrophobicContact CD1-CE 4.5Å; F731-M734 HydrophobicContact CD2-CE 4.05Å; F731-M734 HydrophobicContact CE1-CB 4.27Å; F731-M734 HydrophobicContact CE1-CE 3.86Å; F731-M734 HydrophobicContact CE2-CE 3.28Å; F731-M734 HydrophobicContact CG-CB 4.29Å; F731-M734 HydrophobicContact CZ-CE 3.2Å; F731-M734 CarbonylContact O-C 3.46Å; F731-M734 PolarHBondContact O-N 2.7Å; F731-M734 VanDerWaalsContact O-N 3.14Å |
| 735 | S | 52.5 | Low | 67 | Low | 66 Ų | 66 | 79.1 Ų | 79.1 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | trans | -47.3 | 155.3 | 172.8 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | E733 I737 G738 | E733-S735 PolarHBondContact O-N 3.49Å; S735-I737 PolarHBondContact O-N 3.07Å; S735-I737 WeakPolarHBondContact OG-CB 3.19Å; S735-G738 PolarHBondContact O-N 3.29Å | ||
| 736 | S | 52.5 | Low | 67.7 | Low | 92 Ų | 92 | 79.1 Ų | 79.1 | 64% | 0.643 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -40.8 | -28.2 | 171.9 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | G738 L739 D740 | S736-G738 PolarHBondContact O-N 3.34Å; S736-L739 PolarHBondContact O-N 3Å; S736-D740 PolarHBondContact O-N 3.03Å; S736-D740 VanDerWaalsContact O-N 3.15Å |
| 737 | I | 51.5 | Low | 68.4 | Low | 97 Ų | 97 | 79.2 Ų | 79.2 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58 | -40.6 | 177.4 | -53.4 | 171.5 | 0 | 0 | 0 | 112.4 | S735 L739 D740 E741 | S735-I737 PolarHBondContact O-N 3.07Å; S735-I737 WeakPolarHBondContact OG-CB 3.19Å; I737-L739 PolarHBondContact O-N 2.87Å; I737-D740 PolarHBondContact O-N 3.24Å; I737-E741 WeakPolarHBondContact O-CG 3.25Å; I737-E741 PolarHBondContact O-N 2.84Å |
| 738 | G | 68.2 | Low | 69.4 | Low | 10 Ų | 10 | 77.8 Ų | 77.8 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.2 | -34 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | S735 S736 T742 | S735-G738 PolarHBondContact O-N 3.29Å; S736-G738 PolarHBondContact O-N 3.34Å; G738-T742 WeakPolarHBondContact O-CB 3.24Å; G738-T742 PolarHBondContact O-N 3.04Å; G738-T742 VanDerWaalsContact O-N 3.09Å; G738-T742 PolarHBondContact O-OG1 2.97Å |
| 739 | L | 76.7 | Confident | 71 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 21% | 0.209 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.5 | -42.4 | 174.9 | -171.5 | 66.3 | 0 | 0 | 0 | 111 | F731 S736 I737 T742 I743 | F731-L739 HydrophobicContact CE1-CB 4.16Å; F731-L739 HydrophobicContact CE1-CD1 4.29Å; S736-L739 PolarHBondContact O-N 3Å; I737-L739 PolarHBondContact O-N 2.87Å; L739-T742 WeakPolarHBondContact O-CB 3.29Å; L739-T742 PolarHBondContact O-N 3.42Å; L739-I743 HydrophobicContact CG-CD1 4.03Å; L739-I743 WeakPolarHBondContact O-CG1 3.47Å; L739-I743 PolarHBondContact O-N 3.2Å |
| 740 | D | 80.6 | Confident | 72.7 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 176.4 | -68.6 | -25.1 | 0 | 0 | 0 | 111.1 | S736 I737 T742 I743 D744 | S736-D740 PolarHBondContact O-N 3.03Å; S736-D740 VanDerWaalsContact O-N 3.15Å; I737-D740 PolarHBondContact O-N 3.24Å; D740-T742 VanDerWaalsContact C-N 3.32Å; D740-T742 PolarHBondContact O-N 3.2Å; D740-I743 PolarHBondContact O-N 3.44Å; D740-D744 WeakPolarHBondContact O-CB 3.47Å; D740-D744 PolarHBondContact O-N 3.02Å |
| 741 | E | 79.4 | Confident | 74.7 | Confident | 126 Ų | 126 | 62.2 Ų | 62.2 | 59% | 0.589 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.5 | -38.9 | 176.1 | -74 | -177.8 | -178 | 0 | 0 | 112.5 | I737 F745 | I737-E741 WeakPolarHBondContact O-CG 3.25Å; I737-E741 PolarHBondContact O-N 2.84Å; E741-F745 VanDerWaalsContact O-CB 3.28Å; E741-F745 WeakPolarHBondContact O-CB 3.36Å; E741-F745 PolarHBondContact O-N 3.48Å |
| 742 | T | 81.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | F682 L725 G738 L739 D740 F745 L746 | F682-T742 HydrophobicContact CD1-CG2 4.27Å; F682-T742 WeakPolarHBondContact CD1-OG1 3.33Å; F682-T742 HydrophobicContact CD2-CG2 3.61Å; F682-T742 HydrophobicContact CE1-CG2 4.32Å; F682-T742 HydrophobicContact CE2-CG2 3.69Å; F682-T742 HydrophobicContact CG-CG2 3.92Å; F682-T742 WeakPolarHBondContact CG-OG1 3.27Å; F682-T742 HydrophobicContact CZ-CG2 4.05Å; L725-T742 HydrophobicContact CD1-CG2 3.67Å; G738-T742 WeakPolarHBondContact O-CB 3.24Å; G738-T742 PolarHBondContact O-N 3.04Å; G738-T742 VanDerWaalsContact O-N 3.09Å; G738-T742 PolarHBondContact O-OG1 2.97Å; L739-T742 WeakPolarHBondContact O-CB 3.29Å; L739-T742 PolarHBondContact O-N 3.42Å; D740-T742 VanDerWaalsContact C-N 3.32Å; D740-T742 PolarHBondContact O-N 3.2Å; T742-F745 PolarHBondContact O-N 3.28Å; T742-L746 HydrophobicContact CG2-CD1 4.17Å; T742-L746 HydrophobicContact CG2-CG 4.49Å; T742-L746 WeakPolarHBondContact O-CG 3.49Å; T742-L746 PolarHBondContact O-N 3.42Å |
| 743 | I | 88.8 | Confident | 78.3 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 178 | -71.8 | 169.8 | 0 | 0 | 0 | 110 | F718 V722 L739 D740 F745 L746 V747 | F718-I743 HydrophobicContact CZ-CG2 4.34Å; V722-I743 HydrophobicContact CG2-CG1 4.42Å; L739-I743 HydrophobicContact CG-CD1 4.03Å; L739-I743 WeakPolarHBondContact O-CG1 3.47Å; L739-I743 PolarHBondContact O-N 3.2Å; D740-I743 PolarHBondContact O-N 3.44Å; I743-F745 VanDerWaalsContact C-N 3.27Å; I743-F745 PolarHBondContact O-N 3.33Å; I743-L746 PolarHBondContact O-N 3.05Å; I743-V747 HydrophobicContact CG2-CG2 4.23Å; I743-V747 WeakPolarHBondContact O-CB 3.32Å; I743-V747 VanDerWaalsContact O-CG2 3.25Å; I743-V747 WeakPolarHBondContact O-CG2 3.36Å; I743-V747 PolarHBondContact O-N 3.2Å |
| 744 | D | 89.8 | Confident | 80.1 | Confident | 114 Ų | 114 | 63.6 Ų | 63.6 | 61% | 0.61 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.8 | -40.6 | 178.2 | -82.5 | -11.5 | 0 | 0 | 0 | 111.5 | D740 K748 | D740-D744 WeakPolarHBondContact O-CB 3.47Å; D740-D744 PolarHBondContact O-N 3.02Å; D744-K748 WeakPolarHBondContact O-CB 3.3Å; D744-K748 PolarHBondContact O-N 3.37Å |
| 745 | F | 90.9 | Very high | 81.9 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 24% | 0.237 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 176.3 | -175.1 | -112.3 | 0 | 0 | 0 | 112.4 | L681 F682 L700 E741 T742 I743 K748 L749 | L681-F745 HydrophobicContact CD2-CE1 4.1Å; F682-F745 HydrophobicContact CE2-CD1 4Å; F682-F745 HydrophobicContact CZ-CB 4.13Å; F682-F745 AromaticContact CZ-CD1 3.58Å; F682-F745 HydrophobicContact CZ-CD1 3.58Å; F682-F745 HydrophobicContact CZ-CE1 4.29Å; F682-F745 HydrophobicContact CZ-CG 4.11Å; L700-F745 HydrophobicContact CB-CE1 4.46Å; L700-F745 HydrophobicContact CB-CZ 4.44Å; L700-F745 HydrophobicContact CD1-CE1 3.81Å; L700-F745 HydrophobicContact CD1-CZ 4.46Å; E741-F745 VanDerWaalsContact O-CB 3.28Å; E741-F745 WeakPolarHBondContact O-CB 3.36Å; E741-F745 PolarHBondContact O-N 3.48Å; T742-F745 PolarHBondContact O-N 3.28Å; I743-F745 VanDerWaalsContact C-N 3.27Å; I743-F745 PolarHBondContact O-N 3.33Å; F745-K748 WeakPolarHBondContact O-CB 3.11Å; F745-K748 PolarHBondContact O-N 2.89Å; F745-L749 HydrophobicContact CD1-CD1 3.94Å; F745-L749 HydrophobicContact CD1-CG 4.45Å; F745-L749 HydrophobicContact CE1-CD1 3.55Å; F745-L749 HydrophobicContact CE1-CG 4.2Å; F745-L749 HydrophobicContact CE2-CD2 4.47Å; F745-L749 HydrophobicContact CZ-CD1 3.96Å; F745-L749 HydrophobicContact CZ-CD2 4.19Å; F745-L749 HydrophobicContact CZ-CG 4.23Å; F745-L749 WeakPolarHBondContact O-CG 3.27Å; F745-L749 PolarHBondContact O-N 3.02Å |
| 746 | L | 92.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 177.5 | -68.3 | 176.2 | 0 | 0 | 0 | 112.5 | I678 I714 F718 V721 T742 I743 K748 L749 T750 | I678-L746 HydrophobicContact CD1-CD2 4.15Å; I678-L746 HydrophobicContact CG2-CD2 3.98Å; I714-L746 HydrophobicContact CG2-CD2 4.21Å; F718-L746 HydrophobicContact CD2-CB 3.73Å; F718-L746 HydrophobicContact CD2-CD1 4.12Å; F718-L746 HydrophobicContact CE2-CB 3.46Å; F718-L746 VanDerWaalsContact CE2-CB 3.46Å; F718-L746 HydrophobicContact CE2-CD1 4.2Å; F718-L746 HydrophobicContact CE2-CG 4.49Å; F718-L746 HydrophobicContact CZ-CB 4.42Å; V721-L746 HydrophobicContact CB-CD1 4.47Å; V721-L746 HydrophobicContact CG1-CD1 4.01Å; T742-L746 HydrophobicContact CG2-CD1 4.17Å; T742-L746 HydrophobicContact CG2-CG 4.49Å; T742-L746 WeakPolarHBondContact O-CG 3.49Å; T742-L746 PolarHBondContact O-N 3.42Å; I743-L746 PolarHBondContact O-N 3.05Å; L746-K748 VanDerWaalsContact C-N 3.27Å; L746-K748 PolarHBondContact O-N 3.26Å; L746-L749 HydrophobicContact CD2-CD1 4.41Å; L746-L749 PolarHBondContact O-N 3.48Å; L746-T750 WeakPolarHBondContact O-CG2 3.42Å; L746-T750 PolarHBondContact O-N 3.03Å; L746-T750 PolarHBondContact O-OG1 3.28Å |
| 747 | V | 94 | Very high | 84.8 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 173.1 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | F718 I743 T750 C751 | F718-V747 HydrophobicContact CE2-CG2 4.16Å; F718-V747 HydrophobicContact CZ-CG2 4.3Å; I743-V747 HydrophobicContact CG2-CG2 4.23Å; I743-V747 WeakPolarHBondContact O-CB 3.32Å; I743-V747 VanDerWaalsContact O-CG2 3.25Å; I743-V747 WeakPolarHBondContact O-CG2 3.36Å; I743-V747 PolarHBondContact O-N 3.2Å; V747-T750 WeakPolarHBondContact CA-OG1 3.4Å; V747-T750 PolarHBondContact O-N 3.44Å; V747-T750 PolarHBondContact O-OG1 3.37Å; V747-C751 WeakPolarHBondContact O-CB 3.4Å; V747-C751 PolarHBondContact O-N 3.38Å |
| 748 | K | 94.2 | Very high | 86.2 | Confident | 102 Ų | 102 | 63.1 Ų | 63.1 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 175.1 | -173.3 | -176.9 | 177.4 | -176.8 | 0 | 111.9 | D744 F745 L746 T750 C751 F754 | D744-K748 WeakPolarHBondContact O-CB 3.3Å; D744-K748 PolarHBondContact O-N 3.37Å; F745-K748 WeakPolarHBondContact O-CB 3.11Å; F745-K748 PolarHBondContact O-N 2.89Å; L746-K748 VanDerWaalsContact C-N 3.27Å; L746-K748 PolarHBondContact O-N 3.26Å; K748-T750 VanDerWaalsContact C-N 3.25Å; K748-T750 PolarHBondContact O-N 3.16Å; K748-C751 PolarHBondContact O-N 2.88Å; K748-F754 HydrophobicContact CG-CD2 3.94Å; K748-F754 HydrophobicContact CG-CE2 3.58Å; K748-F754 HydrophobicContact CG-CZ 4.02Å; K748-F754 WeakPolarHBondContact O-CD2 3.14Å |
| 749 | L | 93.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.8 | -34.1 | 179.4 | -69.1 | 178.6 | 0 | 0 | 0 | 112.5 | L700 P701 A704 F705 Q711 I714 F745 L746 | L700-L749 HydrophobicContact CB-CD1 3.9Å; L700-L749 HydrophobicContact CB-CD2 4.42Å; L700-L749 HydrophobicContact CD1-CD1 4.38Å; P701-L749 HydrophobicContact CB-CD2 4.38Å; P701-L749 HydrophobicContact CG-CD2 4.2Å; A704-L749 HydrophobicContact CB-CB 4.06Å; A704-L749 HydrophobicContact CB-CD2 3.97Å; F705-L749 HydrophobicContact CE1-CD2 4.3Å; F705-L749 HydrophobicContact CZ-CD2 4.07Å; Q711-L749 PolarHBondContact NE2-O 3.27Å; I714-L749 HydrophobicContact CD1-CB 4.1Å; I714-L749 HydrophobicContact CD1-CD1 4.33Å; I714-L749 HydrophobicContact CG2-CB 4.43Å; F745-L749 HydrophobicContact CD1-CD1 3.94Å; F745-L749 HydrophobicContact CD1-CG 4.45Å; F745-L749 HydrophobicContact CE1-CD1 3.55Å; F745-L749 HydrophobicContact CE1-CG 4.2Å; F745-L749 HydrophobicContact CE2-CD2 4.47Å; F745-L749 HydrophobicContact CZ-CD1 3.96Å; F745-L749 HydrophobicContact CZ-CD2 4.19Å; F745-L749 HydrophobicContact CZ-CG 4.23Å; F745-L749 WeakPolarHBondContact O-CG 3.27Å; F745-L749 PolarHBondContact O-N 3.02Å; L746-L749 HydrophobicContact CD2-CD1 4.41Å; L746-L749 PolarHBondContact O-N 3.48Å |
| 750 | T | 92.2 | Very high | 86.6 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -0.9 | -179.3 | 53.9 | 0 | 0 | 0 | 0 | 114 | I714 V715 L746 V747 K748 | I714-T750 HydrophobicContact CB-CG2 3.97Å; I714-T750 HydrophobicContact CG2-CG2 3.57Å; V715-T750 HydrophobicContact CG2-CG2 3.54Å; L746-T750 WeakPolarHBondContact O-CG2 3.42Å; L746-T750 PolarHBondContact O-N 3.03Å; L746-T750 PolarHBondContact O-OG1 3.28Å; V747-T750 WeakPolarHBondContact CA-OG1 3.4Å; V747-T750 PolarHBondContact O-N 3.44Å; V747-T750 PolarHBondContact O-OG1 3.37Å; K748-T750 VanDerWaalsContact C-N 3.25Å; K748-T750 PolarHBondContact O-N 3.16Å |
| 751 | C | 91.7 | Very high | 86 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | trans | -85 | 118.4 | -178.7 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | Q711 V747 K748 V753 F754 | Q711-C751 PolarHBondContact NE2-O 3.18Å; Q711-C751 VanDerWaalsContact NE2-O 3.1Å; V747-C751 WeakPolarHBondContact O-CB 3.4Å; V747-C751 PolarHBondContact O-N 3.38Å; K748-C751 PolarHBondContact O-N 2.88Å; C751-V753 PolarHBondContact O-N 3.09Å; C751-F754 HydrophobicContact CB-CD2 3.88Å; C751-F754 HydrophobicContact CB-CE2 4.16Å; C751-F754 PolarHBondContact O-N 3.04Å; C751-F754 VanDerWaalsContact O-N 3.1Å | ||
| 752 | C | 85.2 | Confident | 85.4 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 55% | 0.554 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -61.9 | -15.5 | -177.2 | -51.3 | 0 | 0 | 0 | 0 | 114.5 | F754 L755 | C752-F754 PolarHBondContact O-N 2.88Å; C752-L755 HydrophobicContact CB-CD1 4.06Å; C752-L755 WeakPolarHBondContact O-CB 3.45Å; C752-L755 PolarHBondContact O-N 2.94Å |
| 753 | V | 87.9 | Confident | 84.4 | Confident | 115 Ų | 115 | 68.8 Ų | 68.8 | 70% | 0.697 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -62.6 | -31.3 | 175.8 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | C751 | C751-V753 PolarHBondContact O-N 3.09Š|
| 754 | F | 88.3 | Confident | 82.7 | Confident | 91 Ų | 91 | 72.6 Ų | 72.6 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -89 | -5.5 | -177.6 | -62.7 | -71.8 | 0 | 0 | 0 | 114.5 | F705 K748 C751 C752 | F705-F754 WeakPolarHBondContact CB-O 3.28Å; F705-F754 HydrophobicContact CD1-CB 3.65Å; F705-F754 HydrophobicContact CD2-CB 4.3Å; F705-F754 HydrophobicContact CE1-CB 3.35Å; F705-F754 HydrophobicContact CE1-CG 4.18Å; F705-F754 HydrophobicContact CE2-CB 4.04Å; F705-F754 HydrophobicContact CG-CB 4.13Å; F705-F754 WeakPolarHBondContact CG-O 3.23Å; F705-F754 HydrophobicContact CZ-CB 3.57Å; F705-F754 HydrophobicContact CZ-CG 4.07Å; K748-F754 HydrophobicContact CG-CD2 3.94Å; K748-F754 HydrophobicContact CG-CE2 3.58Å; K748-F754 HydrophobicContact CG-CZ 4.02Å; K748-F754 WeakPolarHBondContact O-CD2 3.14Å; C751-F754 HydrophobicContact CB-CD2 3.88Å; C751-F754 HydrophobicContact CB-CE2 4.16Å; C751-F754 PolarHBondContact O-N 3.04Å; C751-F754 VanDerWaalsContact O-N 3.1Å; C752-F754 PolarHBondContact O-N 2.88Å |
| 755 | L | 87.8 | Confident | 80.6 | Confident | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.026 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -53 | 143.5 | 173 | -76.1 | 170.3 | 0 | 0 | 0 | 110.5 | F705 Q711 C752 A759 K762 | F705-L755 CarbonylContact O-C 3.45Å; F705-L755 WeakPolarHBondContact O-CA 3.28Å; Q711-L755 HydrophobicContact CG-CD2 4.14Å; C752-L755 HydrophobicContact CB-CD1 4.06Å; C752-L755 WeakPolarHBondContact O-CB 3.45Å; C752-L755 PolarHBondContact O-N 2.94Å; L755-A759 HydrophobicContact CB-CB 4.22Å; L755-A759 HydrophobicContact CD2-CB 4.18Å; L755-K762 HydrophobicContact CB-CB 4.28Å; L755-K762 HydrophobicContact CB-CD 3.88Å; L755-K762 HydrophobicContact CB-CG 4.21Å; L755-K762 HydrophobicContact CD1-CB 4.14Å; L755-K762 HydrophobicContact CD1-CG 4.47Å; L755-K762 PolarHBondContact O-NZ 3.46Å |
| 756 | E | 86.5 | Confident | 78.1 | Confident | 96 Ų | 96 | 83.3 Ų | 83.3 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | trans | -63.1 | 151.6 | 173.2 | -66.3 | -168.1 | 167.9 | 0 | 0 | 110.8 | F705 S758 A759 K762 | F705-E756 HydrophobicContact CB-CG 4.44Å; F705-E756 PolarHBondContact O-N 3.2Å; E756-S758 PolarHBondContact O-N 2.94Å; E756-A759 HydrophobicContact CB-CB 4.32Å; E756-A759 VanDerWaalsContact O-CB 3.25Å; E756-A759 WeakPolarHBondContact O-CB 3.43Å; E756-A759 PolarHBondContact O-N 3.06Å; E756-K762 VanDerWaalsContact O-CD 3.24Å; E756-K762 WeakPolarHBondContact O-CD 3.33Å | ||
| 757 | A | 80.2 | Confident | 77.4 | Confident | 96 Ų | 96 | 87.5 Ų | 87.5 | 79% | 0.793 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 758 | S | 80.3 | Confident | 76.5 | Confident | 101 Ų | 101 | 88.2 Ų | 88.2 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.6 | 176 | 41.2 | 0 | 0 | 0 | 0 | 114.2 | E756 | E756-S758 PolarHBondContact O-N 2.94Š|
| 759 | A | 80.1 | Confident | 75.5 | Confident | 8 Ų | 8 | 87.4 Ų | 87.4 | 7% | 0.066 | 52% | 0.522 | C | S | . | . | trans | -67.6 | 132.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N706 L755 E756 G761 K762 | N706-A759 WeakPolarHBondContact O-CB 3.41Å; L755-A759 HydrophobicContact CB-CB 4.22Å; L755-A759 HydrophobicContact CD2-CB 4.18Å; E756-A759 HydrophobicContact CB-CB 4.32Å; E756-A759 VanDerWaalsContact O-CB 3.25Å; E756-A759 WeakPolarHBondContact O-CB 3.43Å; E756-A759 PolarHBondContact O-N 3.06Å; A759-G761 PolarHBondContact O-N 3.35Å; A759-K762 PolarHBondContact O-N 3.22Å | ||
| 760 | P | 73.7 | Confident | 74.4 | Confident | 76 Ų | 76 | 92.5 Ų | 92.5 | 49% | 0.494 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.8 | 136.8 | 168.7 | -21.3 | 32 | 0 | 0 | 0 | 110.9 | S708 K762 | S708-P760 PolarHBondContact N-O 2.96Å; S708-P760 PolarHBondContact OG-O 3.31Å; P760-K762 PolarHBondContact O-N 2.79Å |
| 761 | G | 68.3 | Low | 73.3 | Confident | 57 Ų | 57 | 96.3 Ų | 96.3 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.5 | -11.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A759 Q763 | A759-G761 PolarHBondContact O-N 3.35Å; G761-Q763 PolarHBondContact O-N 3.22Å |
| 762 | K | 67 | Low | 72.1 | Confident | 74 Ų | 74 | 99.9 Ų | 99.9 | 32% | 0.322 | 59% | 0.593 | S | S | . | * | trans | -67.1 | 100.3 | 171.1 | -166.5 | 171.6 | -171.7 | 173.1 | 0 | 109.1 | L755 E756 A759 P760 V764 | L755-K762 HydrophobicContact CB-CB 4.28Å; L755-K762 HydrophobicContact CB-CD 3.88Å; L755-K762 HydrophobicContact CB-CG 4.21Å; L755-K762 HydrophobicContact CD1-CB 4.14Å; L755-K762 HydrophobicContact CD1-CG 4.47Å; L755-K762 PolarHBondContact O-NZ 3.46Å; E756-K762 VanDerWaalsContact O-CD 3.24Å; E756-K762 WeakPolarHBondContact O-CD 3.33Å; A759-K762 PolarHBondContact O-N 3.22Å; P760-K762 PolarHBondContact O-N 2.79Å; K762-V764 PolarHBondContact O-N 3.35Å | ||
| 763 | Q | 60 | Low | 71.1 | Confident | 172 Ų | 172 | 101.1 Ų | 101.1 | 80% | 0.804 | 60% | 0.596 | S | S | * | * | trans | -57.9 | 108.6 | 171.8 | -71.3 | -169.4 | -2.1 | 0 | 0 | 107.9 | G761 R765 | G761-Q763 PolarHBondContact O-N 3.22Å; Q763-R765 PolarHBondContact O-N 2.83Å | ||
| 764 | V | 52.1 | Low | 69.9 | Low | 131 Ų | 131 | 100.1 Ų | 100.1 | 79% | 0.794 | 59% | 0.588 | S | S | * | * | trans | -63.3 | 92.9 | 165.9 | -176.3 | 0 | 0 | 0 | 0 | 105.2 | K762 A766 | K762-V764 PolarHBondContact O-N 3.35Å; V764-A766 PolarHBondContact O-N 3.49Å | ||
| 765 | R | 47.1 | Very low | 68.3 | Low | 233 Ų | 233 | 100.8 Ų | 100.8 | 88% | 0.879 | 60% | 0.604 | S | S | * | * | trans | -61 | 98.6 | 159.7 | -83.4 | -173.8 | 175.3 | 178.4 | -0.3 | 105.7 | Q763 | Q763-R765 PolarHBondContact O-N 2.83Š| ||
| 766 | A | 36.9 | Very low | 66.5 | Low | 161 Ų | 161 | 109.5 Ų | 109.5 | 100% | 1.331 | 66% | 0.657 | S | S | * | * | trans | -59.4 | 0 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V764 | V764-A766 PolarHBondContact O-N 3.49Š|
Retrieved 766 of 766 residues in 258.4 ms
(Link to these results)