| 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 | 47.3 | Very low | 41.9 | Very low | 204 Ų | 204 | 113.7 Ų | 113.7 | 100% | 1.005 | 55% | 0.554 | S | S | * | * | 0 | -41.7 | 0 | -74.8 | -173.6 | -179.1 | 0 | 0 | 114.9 | Q3 N4 | M1-Q3 VanDerWaalsContact C-N 3.29Å; M1-Q3 PolarHBondContact O-N 3.21Å; M1-N4 PolarHBondContact O-N 3.37Å | |||
| 2 | R | 33.9 | Very low | 42.6 | Very low | 223 Ų | 223 | 106.9 Ų | 106.9 | 84% | 0.842 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.5 | -24.2 | 176.2 | -143.6 | 176.1 | -169.1 | -176.3 | 3.8 | 114.6 | ||
| 3 | Q | 33.2 | Very low | 43.2 | Very low | 161 Ų | 161 | 110.2 Ų | 110.2 | 75% | 0.752 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.2 | -34.9 | 175.8 | -73.6 | 179.2 | -4.7 | 0 | 0 | 112.7 | M1 L5 K6 C7 | M1-Q3 VanDerWaalsContact C-N 3.29Å; M1-Q3 PolarHBondContact O-N 3.21Å; Q3-L5 VanDerWaalsContact C-N 3.33Å; Q3-L5 PolarHBondContact O-N 3.1Å; Q3-K6 PolarHBondContact O-N 3.44Å; Q3-C7 PolarHBondContact O-N 2.83Å |
| 4 | N | 36.3 | Very low | 43.8 | Very low | 99 Ų | 99 | 113.6 Ų | 113.6 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -38.7 | -179.9 | -64.2 | 11.1 | 0 | 0 | 0 | 110.9 | M1 K6 C7 F8 | M1-N4 PolarHBondContact O-N 3.37Å; N4-K6 PolarHBondContact O-N 3.16Å; N4-C7 WeakPolarHBondContact O-CB 3.29Å; N4-C7 PolarHBondContact O-N 2.93Å; N4-F8 VanDerWaalsContact O-CB 3.32Å; N4-F8 WeakPolarHBondContact O-CB 2.97Å; N4-F8 PolarHBondContact O-N 3.16Å |
| 5 | L | 36.3 | Very low | 44.4 | Very low | 119 Ų | 119 | 108.3 Ų | 108.3 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.1 | -33.7 | 175.7 | -71.6 | 166.8 | 0 | 0 | 0 | 113.7 | Q3 G9 | Q3-L5 VanDerWaalsContact C-N 3.33Å; Q3-L5 PolarHBondContact O-N 3.1Å; L5-G9 PolarHBondContact O-N 3.22Å |
| 6 | K | 38 | Very low | 45 | Very low | 160 Ų | 160 | 106.9 Ų | 106.9 | 70% | 0.696 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.9 | -41 | 172.1 | -79.4 | -170.3 | 175.9 | -174.4 | 0 | 111.2 | Q3 N4 F8 G9 Q10 | Q3-K6 PolarHBondContact O-N 3.44Å; N4-K6 PolarHBondContact O-N 3.16Å; K6-F8 VanDerWaalsContact C-N 3.34Å; K6-G9 PolarHBondContact O-N 3.25Å; K6-Q10 WeakPolarHBondContact O-CB 3.4Å; K6-Q10 VanDerWaalsContact O-CG 3.24Å; K6-Q10 WeakPolarHBondContact O-CG 3.22Å; K6-Q10 PolarHBondContact O-N 2.86Å |
| 7 | C | 43.8 | Very low | 45.4 | Very low | 64 Ų | 64 | 113.3 Ų | 113.3 | 43% | 0.432 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.7 | -157.8 | 0 | 0 | 0 | 0 | 110.5 | Q3 N4 Q10 I11 | Q3-C7 PolarHBondContact O-N 2.83Å; N4-C7 WeakPolarHBondContact O-CB 3.29Å; N4-C7 PolarHBondContact O-N 2.93Å; C7-Q10 WeakPolarHBondContact O-CB 3.2Å; C7-Q10 PolarHBondContact O-N 2.71Å; C7-I11 WeakPolarHBondContact O-CD1 3.14Å; C7-I11 WeakPolarHBondContact O-CG1 3.1Å; C7-I11 PolarHBondContact O-N 3.3Å |
| 8 | F | 47 | Very low | 45.5 | Very low | 17 Ų | 17 | 118.8 Ų | 118.8 | 8% | 0.075 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -58.6 | -54.8 | 174.8 | -162.1 | -124.5 | 0 | 0 | 0 | 110.6 | N4 K6 Q10 I11 C12 F54 L55 E58 | N4-F8 VanDerWaalsContact O-CB 3.32Å; N4-F8 WeakPolarHBondContact O-CB 2.97Å; N4-F8 PolarHBondContact O-N 3.16Å; K6-F8 VanDerWaalsContact C-N 3.34Å; F8-Q10 VanDerWaalsContact C-N 3.25Å; F8-Q10 PolarHBondContact O-N 3.2Å; F8-Q10 VanDerWaalsContact O-N 3.15Å; F8-I11 CarbonylContact O-C 3.53Å; F8-I11 WeakPolarHBondContact O-CA 3.38Å; F8-I11 WeakPolarHBondContact O-CB 3.4Å; F8-I11 PolarHBondContact O-N 3.41Å; F8-C12 PolarHBondContact O-N 3.4Å; F8-C12 PolarHBondContact O-SG 3.03Å; F8-F54 HydrophobicContact CB-CD1 4.46Å; F8-F54 HydrophobicContact CB-CE1 4.03Å; F8-F54 AromaticContact CD1-CD1 3.35Å; F8-F54 HydrophobicContact CD1-CD1 3.35Å; F8-F54 AromaticContact CD1-CE1 3.78Å; F8-F54 HydrophobicContact CD1-CE1 3.78Å; F8-F54 AromaticContact CD2-CD1 3.38Å; F8-F54 HydrophobicContact CD2-CD1 3.38Å; F8-F54 AromaticContact CD2-CE1 3.1Å; F8-F54 HydrophobicContact CD2-CE1 3.1Å; F8-F54 HydrophobicContact CD2-CZ 4.26Å; F8-F54 HydrophobicContact CE1-CB 4.09Å; F8-F54 AromaticContact CE1-CD1 3.26Å; F8-F54 HydrophobicContact CE1-CD1 3.26Å; F8-F54 HydrophobicContact CE1-CE1 4.05Å; F8-F54 HydrophobicContact CE1-CG 4.16Å; F8-F54 HydrophobicContact CE2-CB 4.44Å; F8-F54 AromaticContact CE2-CD1 3.21Å; F8-F54 HydrophobicContact CE2-CD1 3.21Å; F8-F54 AromaticContact CE2-CE1 3.34Å; F8-F54 HydrophobicContact CE2-CE1 3.34Å; F8-F54 HydrophobicContact CE2-CG 4.21Å; F8-F54 HydrophobicContact CE2-CZ 4.43Å; F8-F54 WeakPolarHBondContact CE2-O 3.45Å; F8-F54 AromaticContact CG-CD1 3.42Å; F8-F54 HydrophobicContact CG-CD1 3.42Å; F8-F54 VanDerWaalsContact CG-CD1 3.42Å; F8-F54 AromaticContact CG-CE1 3.31Å; F8-F54 HydrophobicContact CG-CE1 3.31Å; F8-F54 HydrophobicContact CZ-CB 3.81Å; F8-F54 AromaticContact CZ-CD1 3.16Å; F8-F54 HydrophobicContact CZ-CD1 3.16Å; F8-F54 AromaticContact CZ-CE1 3.82Å; F8-F54 HydrophobicContact CZ-CE1 3.82Å; F8-F54 AromaticContact CZ-CG 3.96Å; F8-F54 HydrophobicContact CZ-CG 3.96Å; F8-F54 WeakPolarHBondContact CZ-O 3.47Å; F8-F54 WeakPolarHBondContact O-CE1 3.15Å; F8-F54 WeakPolarHBondContact O-CZ 3.47Å; F8-L55 HydrophobicContact CZ-CD2 4.4Å; F8-E58 HydrophobicContact CD2-CG 3.69Å; F8-E58 WeakPolarHBondContact CD2-OE2 3.49Å; F8-E58 HydrophobicContact CE2-CB 4.05Å; F8-E58 HydrophobicContact CE2-CG 3.64Å; F8-E58 WeakPolarHBondContact CE2-OE2 3.36Å |
| 9 | G | 45.4 | Very low | 45.8 | Very low | 28 Ų | 28 | 116.5 Ų | 116.5 | 29% | 0.289 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -53.5 | -37.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L5 K6 C12 N13 | L5-G9 PolarHBondContact O-N 3.22Å; K6-G9 PolarHBondContact O-N 3.25Å; G9-C12 VanDerWaalsContact CA-SG 3.56Å; G9-C12 WeakPolarHBondContact O-CB 3.31Å; G9-C12 PolarHBondContact O-N 2.68Å; G9-N13 WeakPolarHBondContact O-CB 3.42Å; G9-N13 VanDerWaalsContact O-CG 3.32Å; G9-N13 PolarHBondContact O-N 3.31Å; G9-N13 PolarHBondContact O-ND2 3.28Å |
| 10 | Q | 49 | Very low | 46.2 | Very low | 113 Ų | 113 | 112.6 Ų | 112.6 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.2 | -37.2 | 174.3 | -75.5 | 175.6 | -13.7 | 0 | 0 | 112.7 | K6 C7 F8 C12 N13 K14 | K6-Q10 WeakPolarHBondContact O-CB 3.4Å; K6-Q10 VanDerWaalsContact O-CG 3.24Å; K6-Q10 WeakPolarHBondContact O-CG 3.22Å; K6-Q10 PolarHBondContact O-N 2.86Å; C7-Q10 WeakPolarHBondContact O-CB 3.2Å; C7-Q10 PolarHBondContact O-N 2.71Å; F8-Q10 VanDerWaalsContact C-N 3.25Å; F8-Q10 PolarHBondContact O-N 3.2Å; F8-Q10 VanDerWaalsContact O-N 3.15Å; Q10-C12 VanDerWaalsContact C-N 3.28Å; Q10-N13 PolarHBondContact O-N 3.31Å; Q10-K14 WeakPolarHBondContact O-CB 3.23Å; Q10-K14 VanDerWaalsContact O-CG 3.23Å; Q10-K14 WeakPolarHBondContact O-CG 3.37Å; Q10-K14 PolarHBondContact O-N 3.46Å |
| 11 | I | 51 | Low | 46.5 | Very low | 63 Ų | 63 | 110.7 Ų | 110.7 | 32% | 0.323 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 173.4 | -59.8 | 157.9 | 0 | 0 | 0 | 108.2 | C7 F8 K14 L15 F54 | C7-I11 WeakPolarHBondContact O-CD1 3.14Å; C7-I11 WeakPolarHBondContact O-CG1 3.1Å; C7-I11 PolarHBondContact O-N 3.3Å; F8-I11 CarbonylContact O-C 3.53Å; F8-I11 WeakPolarHBondContact O-CA 3.38Å; F8-I11 WeakPolarHBondContact O-CB 3.4Å; F8-I11 PolarHBondContact O-N 3.41Å; I11-K14 PolarHBondContact O-N 2.95Å; I11-L15 HydrophobicContact CG2-CG 4.48Å; I11-L15 WeakPolarHBondContact O-CG 3.21Å; I11-L15 PolarHBondContact O-N 3.22Å; I11-F54 HydrophobicContact CB-CE1 4.15Å; I11-F54 HydrophobicContact CB-CZ 3.51Å; I11-F54 HydrophobicContact CG2-CE1 4.47Å; I11-F54 HydrophobicContact CG2-CE2 4.31Å; I11-F54 HydrophobicContact CG2-CZ 3.56Å |
| 12 | C | 49.7 | Very low | 46.7 | Very low | 32 Ų | 32 | 106.1 Ų | 106.1 | 22% | 0.216 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 175 | -36.3 | 0 | 0 | 0 | 0 | 111.2 | F8 G9 Q10 K14 L15 F54 | F8-C12 PolarHBondContact O-N 3.4Å; F8-C12 PolarHBondContact O-SG 3.03Å; G9-C12 VanDerWaalsContact CA-SG 3.56Å; G9-C12 WeakPolarHBondContact O-CB 3.31Å; G9-C12 PolarHBondContact O-N 2.68Å; Q10-C12 VanDerWaalsContact C-N 3.28Å; C12-K14 PolarHBondContact O-N 3.15Å; C12-L15 PolarHBondContact O-N 3.29Å; C12-L15 VanDerWaalsContact O-N 3.12Å; C12-F54 HydrophobicContact CB-CD1 4.27Å; C12-F54 HydrophobicContact CB-CD2 3.46Å; C12-F54 VanDerWaalsContact CB-CD2 3.46Å; C12-F54 HydrophobicContact CB-CE1 4.21Å; C12-F54 HydrophobicContact CB-CE2 3.43Å; C12-F54 VanDerWaalsContact CB-CE2 3.43Å; C12-F54 HydrophobicContact CB-CG 4.01Å; C12-F54 HydrophobicContact CB-CZ 3.84Å; C12-F54 WeakPolarHBondContact SG-CD1 3.49Å; C12-F54 WeakPolarHBondContact SG-CD2 3.23Å; C12-F54 WeakPolarHBondContact SG-CE1 3.3Å; C12-F54 WeakPolarHBondContact SG-CE2 3.33Å; C12-F54 WeakPolarHBondContact SG-CG 2.88Å; C12-F54 WeakPolarHBondContact SG-CZ 3.39Å |
| 13 | N | 50.4 | Low | 47.8 | Very low | 150 Ų | 150 | 96.6 Ų | 96.6 | 80% | 0.802 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.3 | -20.8 | -178.6 | -73.2 | -15.9 | 0 | 0 | 0 | 111.9 | G9 Q10 | G9-N13 WeakPolarHBondContact O-CB 3.42Å; G9-N13 VanDerWaalsContact O-CG 3.32Å; G9-N13 PolarHBondContact O-N 3.31Å; G9-N13 PolarHBondContact O-ND2 3.28Å; Q10-N13 PolarHBondContact O-N 3.31Å |
| 14 | K | 51.8 | Low | 48.7 | Very low | 158 Ų | 158 | 92.8 Ų | 92.8 | 69% | 0.687 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -90.1 | -20.4 | 174.1 | -74.5 | 176.2 | 179.8 | -177.5 | 0 | 114 | Q10 I11 C12 T16 | Q10-K14 WeakPolarHBondContact O-CB 3.23Å; Q10-K14 VanDerWaalsContact O-CG 3.23Å; Q10-K14 WeakPolarHBondContact O-CG 3.37Å; Q10-K14 PolarHBondContact O-N 3.46Å; I11-K14 PolarHBondContact O-N 2.95Å; C12-K14 PolarHBondContact O-N 3.15Å; K14-T16 PolarHBondContact O-N 3.47Å; K14-T16 VanDerWaalsContact O-N 3.16Å |
| 15 | L | 53 | Low | 49.5 | Very low | 33 Ų | 33 | 91.1 Ų | 91.1 | 17% | 0.173 | 45% | 0.446 | C | S | . | . | trans | -77.8 | 102.3 | 176.5 | -67.4 | -171.3 | 0 | 0 | 0 | 109.5 | I11 C12 N19 L20 M23 I53 F54 | I11-L15 HydrophobicContact CG2-CG 4.48Å; I11-L15 WeakPolarHBondContact O-CG 3.21Å; I11-L15 PolarHBondContact O-N 3.22Å; C12-L15 PolarHBondContact O-N 3.29Å; C12-L15 VanDerWaalsContact O-N 3.12Å; L15-N19 HydrophobicContact CB-CB 4.16Å; L15-N19 HydrophobicContact CD2-CB 3.82Å; L15-N19 HydrophobicContact CG-CB 4.45Å; L15-L20 HydrophobicContact CB-CD2 3.63Å; L15-L20 HydrophobicContact CD1-CD2 4.06Å; L15-M23 HydrophobicContact CD1-SD 4.1Å; L15-I53 HydrophobicContact CD1-CG2 4.41Å; L15-F54 HydrophobicContact CD1-CD2 4.36Å; L15-F54 HydrophobicContact CD1-CE2 3.65Å; L15-F54 HydrophobicContact CG-CE2 4.17Å | ||
| 16 | T | 53.7 | Low | 50.3 | Low | 86 Ų | 86 | 88.5 Ų | 88.5 | 53% | 0.528 | 43% | 0.433 | S | S | . | . | trans | -58.7 | 152.9 | 167.6 | 59.5 | 0 | 0 | 0 | 0 | 110 | K14 R18 N19 L20 | K14-T16 PolarHBondContact O-N 3.47Å; K14-T16 VanDerWaalsContact O-N 3.16Å; T16-R18 PolarHBondContact O-N 2.97Å; T16-N19 WeakPolarHBondContact O-CB 3.32Å; T16-N19 PolarHBondContact O-N 3.12Å; T16-L20 PolarHBondContact O-N 3.13Å | ||
| 17 | R | 51.5 | Low | 51 | Low | 216 Ų | 216 | 81.8 Ų | 81.8 | 82% | 0.815 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -45.8 | -34.9 | 179.8 | -80.4 | -174.6 | 178 | -172.9 | -0.4 | 113.8 | L20 T21 | R17-L20 VanDerWaalsContact O-CB 3.29Å; R17-L20 WeakPolarHBondContact O-CB 2.97Å; R17-L20 PolarHBondContact O-N 3.24Å; R17-L20 VanDerWaalsContact O-N 3.16Å; R17-T21 PolarHBondContact O-N 3.19Å; R17-T21 VanDerWaalsContact O-N 3.1Å; R17-T21 PolarHBondContact O-OG1 3.33Å |
| 18 | R | 47.4 | Very low | 51.2 | Low | 212 Ų | 212 | 84.7 Ų | 84.7 | 80% | 0.8 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 177.2 | -169.1 | 174.9 | -177.4 | 168.6 | 0.6 | 113.2 | T16 L20 T21 Q22 | T16-R18 PolarHBondContact O-N 2.97Å; R18-L20 PolarHBondContact O-N 3.25Å; R18-T21 PolarHBondContact O-N 3.02Å; R18-Q22 PolarHBondContact O-N 3.49Å |
| 19 | N | 52.1 | Low | 51.4 | Low | 75 Ų | 75 | 92.7 Ų | 92.7 | 40% | 0.401 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.2 | -30.2 | 176 | -62.5 | -15.2 | 0 | 0 | 0 | 111.1 | L15 T16 M23 | L15-N19 HydrophobicContact CB-CB 4.16Å; L15-N19 HydrophobicContact CD2-CB 3.82Å; L15-N19 HydrophobicContact CG-CB 4.45Å; T16-N19 WeakPolarHBondContact O-CB 3.32Å; T16-N19 PolarHBondContact O-N 3.12Å; N19-M23 PolarHBondContact O-N 3.12Å; N19-M23 VanDerWaalsContact O-N 3.15Å |
| 20 | L | 54.1 | Low | 51.7 | Low | 38 Ų | 38 | 93.9 Ų | 93.9 | 20% | 0.199 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 175.9 | -52.6 | -179.7 | 0 | 0 | 0 | 112 | L15 T16 R17 R18 Q22 M23 Q24 I53 | L15-L20 HydrophobicContact CB-CD2 3.63Å; L15-L20 HydrophobicContact CD1-CD2 4.06Å; T16-L20 PolarHBondContact O-N 3.13Å; R17-L20 VanDerWaalsContact O-CB 3.29Å; R17-L20 WeakPolarHBondContact O-CB 2.97Å; R17-L20 PolarHBondContact O-N 3.24Å; R17-L20 VanDerWaalsContact O-N 3.16Å; R18-L20 PolarHBondContact O-N 3.25Å; L20-Q22 PolarHBondContact O-N 2.98Å; L20-M23 VanDerWaalsContact O-CB 3.3Å; L20-M23 WeakPolarHBondContact O-CB 3.43Å; L20-M23 PolarHBondContact O-N 3.22Å; L20-Q24 WeakPolarHBondContact O-CG 2.86Å; L20-Q24 PolarHBondContact O-N 3.26Å; L20-I53 HydrophobicContact CB-CB 4.23Å; L20-I53 HydrophobicContact CB-CD1 3.62Å; L20-I53 HydrophobicContact CB-CG1 3.93Å; L20-I53 HydrophobicContact CB-CG2 3.64Å; L20-I53 HydrophobicContact CD1-CD1 4.36Å; L20-I53 HydrophobicContact CD2-CB 4Å; L20-I53 HydrophobicContact CD2-CG2 3.11Å; L20-I53 HydrophobicContact CG-CD1 4.38Å; L20-I53 HydrophobicContact CG-CG2 3.87Å; L20-I53 WeakPolarHBondContact O-CG1 3.28Å |
| 21 | T | 52.3 | Low | 51.7 | Low | 73 Ų | 73 | 92.4 Ų | 92.4 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 176.7 | -51.6 | 0 | 0 | 0 | 0 | 112.5 | R17 R18 M23 Q24 I25 | R17-T21 PolarHBondContact O-N 3.19Å; R17-T21 VanDerWaalsContact O-N 3.1Å; R17-T21 PolarHBondContact O-OG1 3.33Å; R18-T21 PolarHBondContact O-N 3.02Å; T21-M23 VanDerWaalsContact C-N 3.29Å; T21-M23 PolarHBondContact O-N 3.45Å; T21-Q24 VanDerWaalsContact O-CB 3.31Å; T21-Q24 WeakPolarHBondContact O-CB 3.19Å; T21-Q24 PolarHBondContact O-N 3.43Å; T21-I25 PolarHBondContact O-N 3.17Å; T21-I25 VanDerWaalsContact O-N 3.12Å |
| 22 | Q | 50.8 | Low | 51.6 | Low | 109 Ų | 109 | 92.4 Ų | 92.4 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 175.7 | -169 | 62.1 | 48.3 | 0 | 0 | 112 | R18 L20 I25 N26 | R18-Q22 PolarHBondContact O-N 3.49Å; L20-Q22 PolarHBondContact O-N 2.98Å; Q22-I25 PolarHBondContact O-N 3.45Å; Q22-N26 PolarHBondContact O-N 3.34Å |
| 23 | M | 58 | Low | 51.7 | Low | 22 Ų | 22 | 95.1 Ų | 95.1 | 11% | 0.108 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 173.4 | -156.2 | 139.8 | -177.4 | 0 | 0 | 110.5 | L15 N19 L20 T21 I25 N26 V27 I53 Y56 R57 | L15-M23 HydrophobicContact CD1-SD 4.1Å; N19-M23 PolarHBondContact O-N 3.12Å; N19-M23 VanDerWaalsContact O-N 3.15Å; L20-M23 VanDerWaalsContact O-CB 3.3Å; L20-M23 WeakPolarHBondContact O-CB 3.43Å; L20-M23 PolarHBondContact O-N 3.22Å; T21-M23 VanDerWaalsContact C-N 3.29Å; T21-M23 PolarHBondContact O-N 3.45Å; M23-I25 VanDerWaalsContact C-N 3.31Å; M23-I25 PolarHBondContact O-N 3.19Å; M23-N26 PolarHBondContact O-N 3.08Å; M23-N26 VanDerWaalsContact O-N 3.08Å; M23-V27 WeakPolarHBondContact O-CG2 2.99Å; M23-V27 PolarHBondContact O-N 3.36Å; M23-I53 HydrophobicContact CB-CG2 3.86Å; M23-I53 WeakPolarHBondContact CE-O 3.42Å; M23-I53 HydrophobicContact CG-CG2 3.98Å; M23-I53 HydrophobicContact SD-CG2 3.71Å; M23-Y56 VanDerWaalsContact CE-CA 3.48Å; M23-Y56 VanDerWaalsContact CG-CB 3.41Å; M23-Y56 HydrophobicContact CG-CG 4.14Å; M23-R57 HydrophobicContact CE-CB 3.54Å |
| 24 | Q | 51 | Low | 51.6 | Low | 82 Ų | 82 | 98 Ų | 98 | 38% | 0.383 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -50.4 | -44 | 172.8 | -73.9 | 174 | -39.2 | 0 | 0 | 113.1 | L20 T21 N26 V27 E28 I53 | L20-Q24 WeakPolarHBondContact O-CG 2.86Å; L20-Q24 PolarHBondContact O-N 3.26Å; T21-Q24 VanDerWaalsContact O-CB 3.31Å; T21-Q24 WeakPolarHBondContact O-CB 3.19Å; T21-Q24 PolarHBondContact O-N 3.43Å; Q24-N26 PolarHBondContact O-N 3.15Å; Q24-V27 VanDerWaalsContact O-CB 3.22Å; Q24-V27 WeakPolarHBondContact O-CB 3.38Å; Q24-V27 PolarHBondContact O-N 3.46Å; Q24-E28 WeakPolarHBondContact O-CG 2.81Å; Q24-E28 PolarHBondContact O-N 3.16Å; Q24-E28 VanDerWaalsContact O-N 3.13Å; Q24-I53 HydrophobicContact CG-CD1 3.94Å; Q24-I53 HydrophobicContact CG-CG1 3.75Å |
| 25 | I | 54 | Low | 51.5 | Low | 63 Ų | 63 | 92.9 Ų | 92.9 | 32% | 0.323 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 179 | -64.4 | 166.9 | 0 | 0 | 0 | 111.5 | T21 Q22 M23 V27 E28 R29 | T21-I25 PolarHBondContact O-N 3.17Å; T21-I25 VanDerWaalsContact O-N 3.12Å; Q22-I25 PolarHBondContact O-N 3.45Å; M23-I25 VanDerWaalsContact C-N 3.31Å; M23-I25 PolarHBondContact O-N 3.19Å; I25-V27 VanDerWaalsContact C-N 3.28Å; I25-V27 PolarHBondContact O-N 3.42Å; I25-E28 PolarHBondContact O-N 2.87Å; I25-R29 PolarHBondContact O-N 3.24Å; I25-R29 VanDerWaalsContact O-N 3.1Å |
| 26 | N | 52.5 | Low | 51.2 | Low | 65 Ų | 65 | 95.5 Ų | 95.5 | 35% | 0.348 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.4 | -29.8 | 178.5 | -67.4 | -14.6 | 0 | 0 | 0 | 111.7 | Q22 M23 Q24 R29 L30 | Q22-N26 PolarHBondContact O-N 3.34Å; M23-N26 PolarHBondContact O-N 3.08Å; M23-N26 VanDerWaalsContact O-N 3.08Å; Q24-N26 PolarHBondContact O-N 3.15Å; N26-R29 PolarHBondContact O-N 3.48Å; N26-L30 PolarHBondContact O-N 3.24Å; N26-L30 VanDerWaalsContact O-N 3.11Å |
| 27 | V | 53.6 | Low | 50.9 | Low | 18 Ų | 18 | 97.4 Ų | 97.4 | 11% | 0.109 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -58.3 | -51.9 | 168.1 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | M23 Q24 I25 R29 L30 I31 Y56 | M23-V27 WeakPolarHBondContact O-CG2 2.99Å; M23-V27 PolarHBondContact O-N 3.36Å; Q24-V27 VanDerWaalsContact O-CB 3.22Å; Q24-V27 WeakPolarHBondContact O-CB 3.38Å; Q24-V27 PolarHBondContact O-N 3.46Å; I25-V27 VanDerWaalsContact C-N 3.28Å; I25-V27 PolarHBondContact O-N 3.42Å; V27-R29 PolarHBondContact O-N 3.43Å; V27-L30 CarbonylContact O-C 3.51Å; V27-L30 WeakPolarHBondContact O-CA 2.89Å; V27-L30 WeakPolarHBondContact O-CB 3.47Å; V27-L30 PolarHBondContact O-N 3.37Å; V27-I31 HydrophobicContact CG1-CD1 3.44Å; V27-I31 VanDerWaalsContact CG1-CD1 3.44Å; V27-I31 HydrophobicContact CG1-CG1 4.18Å; V27-I31 VanDerWaalsContact O-CG1 3.28Å; V27-I31 WeakPolarHBondContact O-CG1 3.06Å; V27-I31 PolarHBondContact O-N 3.36Å; V27-Y56 WeakPolarHBondContact CA-OH 3.49Å; V27-Y56 HydrophobicContact CB-CD1 4.32Å; V27-Y56 HydrophobicContact CB-CD2 4.05Å; V27-Y56 HydrophobicContact CB-CE1 3.7Å; V27-Y56 HydrophobicContact CB-CE2 3.32Å; V27-Y56 HydrophobicContact CB-CG 4.48Å; V27-Y56 VanDerWaalsContact CB-OH 3.23Å; V27-Y56 WeakPolarHBondContact CB-OH 3.38Å; V27-Y56 HydrophobicContact CG1-CD2 4.37Å; V27-Y56 HydrophobicContact CG1-CE1 4.26Å; V27-Y56 HydrophobicContact CG1-CE2 3.29Å; V27-Y56 WeakPolarHBondContact CG1-OH 3.11Å; V27-Y56 HydrophobicContact CG2-CD1 3.7Å; V27-Y56 HydrophobicContact CG2-CD2 3.04Å; V27-Y56 HydrophobicContact CG2-CE1 3.56Å; V27-Y56 HydrophobicContact CG2-CE2 2.8Å; V27-Y56 HydrophobicContact CG2-CG 3.47Å; V27-Y56 VanDerWaalsContact CG2-CG 3.47Å; V27-Y56 PolarHBondContact O-OH 3.05Å |
| 28 | E | 47.5 | Very low | 50.9 | Low | 126 Ų | 126 | 87.7 Ų | 87.7 | 59% | 0.589 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.9 | -33.8 | -176.3 | -71.2 | 169.6 | 170.7 | 0 | 0 | 111.1 | Q24 I25 I31 G32 | Q24-E28 WeakPolarHBondContact O-CG 2.81Å; Q24-E28 PolarHBondContact O-N 3.16Å; Q24-E28 VanDerWaalsContact O-N 3.13Å; I25-E28 PolarHBondContact O-N 2.87Å; E28-I31 PolarHBondContact O-N 3.48Å; E28-G32 PolarHBondContact O-N 2.89Å |
| 29 | R | 51.7 | Low | 50.8 | Low | 185 Ų | 185 | 82.7 Ų | 82.7 | 70% | 0.698 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.4 | -41.4 | 171.1 | -71.6 | 179.7 | 175.5 | -171.8 | -2 | 112.9 | I25 N26 V27 I31 G32 | I25-R29 PolarHBondContact O-N 3.24Å; I25-R29 VanDerWaalsContact O-N 3.1Å; N26-R29 PolarHBondContact O-N 3.48Å; V27-R29 PolarHBondContact O-N 3.43Å; R29-I31 VanDerWaalsContact C-N 3.33Å; R29-G32 PolarHBondContact O-N 2.82Å |
| 30 | L | 51.4 | Low | 50.8 | Low | 52 Ų | 52 | 84.9 Ų | 84.9 | 27% | 0.272 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69 | -29 | 174.1 | -113.5 | 117.1 | 0 | 0 | 0 | 113 | N26 V27 T33 V38 Y56 I60 | N26-L30 PolarHBondContact O-N 3.24Å; N26-L30 VanDerWaalsContact O-N 3.11Å; V27-L30 CarbonylContact O-C 3.51Å; V27-L30 WeakPolarHBondContact O-CA 2.89Å; V27-L30 WeakPolarHBondContact O-CB 3.47Å; V27-L30 PolarHBondContact O-N 3.37Å; L30-T33 PolarHBondContact O-N 2.86Å; L30-T33 PolarHBondContact O-OG1 3.04Å; L30-V38 HydrophobicContact CD2-CG2 4.02Å; L30-Y56 HydrophobicContact CB-CE1 4.23Å; L30-Y56 HydrophobicContact CD1-CE1 4.2Å; L30-I60 HydrophobicContact CD1-CD1 3.91Å; L30-I60 HydrophobicContact CD1-CG1 4.13Å |
| 31 | I | 49.1 | Very low | 50.8 | Low | 82 Ų | 82 | 85.4 Ų | 85.4 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -72.5 | -34.1 | 172.7 | -70.6 | 168.2 | 0 | 0 | 0 | 110.6 | V27 E28 R29 T33 V38 | V27-I31 HydrophobicContact CG1-CD1 3.44Å; V27-I31 VanDerWaalsContact CG1-CD1 3.44Å; V27-I31 HydrophobicContact CG1-CG1 4.18Å; V27-I31 VanDerWaalsContact O-CG1 3.28Å; V27-I31 WeakPolarHBondContact O-CG1 3.06Å; V27-I31 PolarHBondContact O-N 3.36Å; E28-I31 PolarHBondContact O-N 3.48Å; R29-I31 VanDerWaalsContact C-N 3.33Å; I31-T33 CarbonylContact O-C 3.6Å; I31-T33 PolarHBondContact O-N 2.91Å; I31-V38 HydrophobicContact CG1-CG1 3.88Å |
| 32 | G | 48.8 | Very low | 50.8 | Low | 63 Ų | 63 | 83 Ų | 83 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.4 | -28.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E28 R29 K34 | E28-G32 PolarHBondContact O-N 2.89Å; R29-G32 PolarHBondContact O-N 2.82Å; G32-K34 PolarHBondContact O-N 3.23Å |
| 33 | T | 51.3 | Low | 50.6 | Low | 89 Ų | 89 | 83.8 Ų | 83.8 | 55% | 0.546 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -85.7 | 94.2 | 165.6 | 46.8 | 0 | 0 | 0 | 0 | 109.2 | L30 I31 S35 | L30-T33 PolarHBondContact O-N 2.86Å; L30-T33 PolarHBondContact O-OG1 3.04Å; I31-T33 CarbonylContact O-C 3.6Å; I31-T33 PolarHBondContact O-N 2.91Å; T33-S35 PolarHBondContact O-N 3.29Å |
| 34 | K | 49 | Very low | 50.1 | Low | 210 Ų | 210 | 89.4 Ų | 89.4 | 91% | 0.913 | 46% | 0.458 | S | S | * | . | trans | -46.4 | 66.7 | -177 | -62.5 | -178.8 | 178.5 | 179.5 | 0 | 115.9 | G32 | G32-K34 PolarHBondContact O-N 3.23Š| ||
| 35 | S | 48.9 | Very low | 50.2 | Low | 52 Ų | 52 | 87.9 Ų | 87.9 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | trans | -108.8 | 107.6 | -179.5 | -154.5 | 0 | 0 | 0 | 0 | 108.6 | T33 L37 V38 | T33-S35 PolarHBondContact O-N 3.29Å; S35-L37 PolarHBondContact O-N 2.8Å; S35-V38 WeakPolarHBondContact O-CB 3.16Å; S35-V38 PolarHBondContact O-N 3.28Å | ||
| 36 | C | 46.5 | Very low | 49.7 | Very low | 87 Ų | 87 | 88.2 Ų | 88.2 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -51.4 | -27 | 177.8 | -165.2 | 0 | 0 | 0 | 0 | 112.3 | V38 L39 H40 | C36-V38 VanDerWaalsContact C-N 3.35Å; C36-V38 PolarHBondContact O-N 2.95Å; C36-L39 PolarHBondContact O-N 3.25Å; C36-H40 PolarHBondContact O-N 2.96Å |
| 37 | L | 47.8 | Very low | 49.5 | Very low | 127 Ų | 127 | 92.3 Ų | 92.3 | 67% | 0.665 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.2 | -38.8 | 173.8 | -77.5 | 149.5 | 0 | 0 | 0 | 113.6 | S35 F41 | S35-L37 PolarHBondContact O-N 2.8Å; L37-F41 WeakPolarHBondContact O-CB 3.04Å; L37-F41 PolarHBondContact O-N 3.38Å; L37-F41 VanDerWaalsContact O-N 3.13Å |
| 38 | V | 50.3 | Low | 49.4 | Very low | 11 Ų | 11 | 96.7 Ų | 96.7 | 7% | 0.067 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 179.5 | 174 | 0 | 0 | 0 | 0 | 109.3 | L30 I31 S35 C36 F41 F42 | L30-V38 HydrophobicContact CD2-CG2 4.02Å; I31-V38 HydrophobicContact CG1-CG1 3.88Å; S35-V38 WeakPolarHBondContact O-CB 3.16Å; S35-V38 PolarHBondContact O-N 3.28Å; C36-V38 VanDerWaalsContact C-N 3.35Å; C36-V38 PolarHBondContact O-N 2.95Å; V38-F41 WeakPolarHBondContact O-CB 2.98Å; V38-F41 PolarHBondContact O-N 3.45Å; V38-F42 HydrophobicContact CB-CE2 4.48Å; V38-F42 HydrophobicContact CG1-CD2 3.84Å; V38-F42 HydrophobicContact CG1-CE2 3.55Å; V38-F42 WeakPolarHBondContact O-CD2 3.15Å; V38-F42 WeakPolarHBondContact O-CE2 3.32Å; V38-F42 PolarHBondContact O-N 3.11Å |
| 39 | L | 46.3 | Very low | 49.3 | Very low | 108 Ų | 108 | 94.1 Ų | 94.1 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70 | -45.3 | -175.7 | -69.3 | 166.8 | 0 | 0 | 0 | 113.4 | C36 F41 F42 Q43 | C36-L39 PolarHBondContact O-N 3.25Å; L39-F41 VanDerWaalsContact C-N 3.27Å; L39-F41 PolarHBondContact O-N 3.05Å; L39-F42 PolarHBondContact O-N 3.33Å; L39-Q43 PolarHBondContact O-N 3.43Å |
| 40 | H | 53 | Low | 49.1 | Very low | 120 Ų | 120 | 87.8 Ų | 87.8 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.8 | -39.9 | 175.2 | -91.2 | -76 | 0 | 0 | 0 | 112 | C36 Q43 | C36-H40 PolarHBondContact O-N 2.96Å; H40-Q43 PolarHBondContact O-N 3.5Å |
| 41 | F | 52.6 | Low | 49 | Very low | 50 Ų | 50 | 88.9 Ų | 88.9 | 22% | 0.219 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 177.5 | -173 | -81.7 | 0 | 0 | 0 | 110.5 | L37 V38 L39 Q43 F45 L55 V59 | L37-F41 WeakPolarHBondContact O-CB 3.04Å; L37-F41 PolarHBondContact O-N 3.38Å; L37-F41 VanDerWaalsContact O-N 3.13Å; V38-F41 WeakPolarHBondContact O-CB 2.98Å; V38-F41 PolarHBondContact O-N 3.45Å; L39-F41 VanDerWaalsContact C-N 3.27Å; L39-F41 PolarHBondContact O-N 3.05Å; F41-Q43 PolarHBondContact O-N 3.23Å; F41-F45 HydrophobicContact CD1-CD2 4.22Å; F41-F45 AromaticContact CD1-CE2 3.82Å; F41-F45 HydrophobicContact CD1-CE2 3.82Å; F41-F45 HydrophobicContact CD2-CE2 4.17Å; F41-F45 AromaticContact CE1-CD2 3.8Å; F41-F45 HydrophobicContact CE1-CD2 3.8Å; F41-F45 AromaticContact CE1-CE2 3.23Å; F41-F45 HydrophobicContact CE1-CE2 3.23Å; F41-F45 AromaticContact CE1-CZ 4Å; F41-F45 HydrophobicContact CE1-CZ 4Å; F41-F45 AromaticContact CE2-CE2 3.72Å; F41-F45 HydrophobicContact CE2-CE2 3.72Å; F41-F45 HydrophobicContact CE2-CZ 4.07Å; F41-F45 HydrophobicContact CG-CE2 4.19Å; F41-F45 HydrophobicContact CZ-CD2 4.18Å; F41-F45 AromaticContact CZ-CE2 3.16Å; F41-F45 HydrophobicContact CZ-CE2 3.16Å; F41-F45 AromaticContact CZ-CZ 3.52Å; F41-F45 HydrophobicContact CZ-CZ 3.52Å; F41-F45 WeakPolarHBondContact O-CD2 3.48Å; F41-F45 WeakPolarHBondContact O-CE2 3.41Å; F41-L55 HydrophobicContact CE1-CB 4.35Å; F41-V59 HydrophobicContact CD1-CG1 3.59Å; F41-V59 HydrophobicContact CD1-CG2 4.46Å; F41-V59 HydrophobicContact CD2-CG1 4.26Å; F41-V59 HydrophobicContact CE1-CB 3.75Å; F41-V59 HydrophobicContact CE1-CG1 3.17Å; F41-V59 HydrophobicContact CE1-CG2 3.28Å; F41-V59 HydrophobicContact CE2-CG1 3.85Å; F41-V59 HydrophobicContact CE2-CG2 4.19Å; F41-V59 HydrophobicContact CG-CG1 4.15Å; F41-V59 HydrophobicContact CZ-CB 3.74Å; F41-V59 HydrophobicContact CZ-CG1 3.32Å; F41-V59 HydrophobicContact CZ-CG2 3.09Å |
| 42 | F | 51.9 | Low | 48.9 | Very low | 22 Ų | 22 | 90.9 Ų | 90.9 | 10% | 0.096 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -67.3 | -32.6 | 179.5 | -73.8 | -64.9 | 0 | 0 | 0 | 115 | V38 L39 Q44 F45 T46 L55 Y56 | V38-F42 HydrophobicContact CB-CE2 4.48Å; V38-F42 HydrophobicContact CG1-CD2 3.84Å; V38-F42 HydrophobicContact CG1-CE2 3.55Å; V38-F42 WeakPolarHBondContact O-CD2 3.15Å; V38-F42 WeakPolarHBondContact O-CE2 3.32Å; V38-F42 PolarHBondContact O-N 3.11Å; L39-F42 PolarHBondContact O-N 3.33Å; F42-Q44 PolarHBondContact O-N 3.43Å; F42-F45 PolarHBondContact O-N 3.1Å; F42-T46 PolarHBondContact O-N 3.43Å; F42-T46 PolarHBondContact O-OG1 3.44Å; F42-L55 HydrophobicContact CD1-CB 4.28Å; F42-L55 HydrophobicContact CD1-CD1 4.32Å; F42-L55 HydrophobicContact CE1-CB 3.7Å; F42-Y56 HydrophobicContact CD1-CE2 4.11Å; F42-Y56 HydrophobicContact CD2-CE2 4.37Å; F42-Y56 AromaticContact CE1-CD2 3.52Å; F42-Y56 HydrophobicContact CE1-CD2 3.52Å; F42-Y56 AromaticContact CE1-CE2 3.1Å; F42-Y56 HydrophobicContact CE1-CE2 3.1Å; F42-Y56 AromaticContact CE2-CE2 3.5Å; F42-Y56 HydrophobicContact CE2-CE2 3.5Å; F42-Y56 AromaticContact CE2-CZ 3.57Å; F42-Y56 WeakPolarHBondContact CE2-OH 3.42Å; F42-Y56 AromaticContact CZ-CD2 3.51Å; F42-Y56 HydrophobicContact CZ-CD2 3.51Å; F42-Y56 HydrophobicContact CZ-CE1 4.27Å; F42-Y56 AromaticContact CZ-CE2 2.81Å; F42-Y56 HydrophobicContact CZ-CE2 2.81Å; F42-Y56 HydrophobicContact CZ-CG 4.44Å; F42-Y56 AromaticContact CZ-CZ 3.26Å; F42-Y56 WeakPolarHBondContact CZ-OH 3.17Å |
| 43 | Q | 47.8 | Very low | 48.5 | Very low | 126 Ų | 126 | 88.5 Ų | 88.5 | 59% | 0.589 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | -178.9 | -104.7 | 175.4 | -31.5 | 0 | 0 | 112.4 | L39 H40 F41 F45 T46 | L39-Q43 PolarHBondContact O-N 3.43Å; H40-Q43 PolarHBondContact O-N 3.5Å; F41-Q43 PolarHBondContact O-N 3.23Å; Q43-F45 PolarHBondContact O-N 3.13Å; Q43-F45 VanDerWaalsContact O-N 3.16Å; Q43-T46 PolarHBondContact O-N 3.31Å |
| 44 | Q | 48.2 | Very low | 48.3 | Very low | 140 Ų | 140 | 84.6 Ų | 84.6 | 65% | 0.654 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.4 | -25.2 | -177.5 | -68.7 | -172.2 | -40.5 | 0 | 0 | 114 | F42 I48 | F42-Q44 PolarHBondContact O-N 3.43Å; Q44-I48 WeakPolarHBondContact O-CD1 3.24Å; Q44-I48 WeakPolarHBondContact O-CG1 3.43Å |
| 45 | F | 51.1 | Low | 48.4 | Very low | 49 Ų | 49 | 74.7 Ų | 74.7 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -95.4 | -15.5 | -179.9 | -61.2 | -82.4 | 0 | 0 | 0 | 114.2 | F41 F42 Q43 D47 I48 L55 | F41-F45 HydrophobicContact CD1-CD2 4.22Å; F41-F45 AromaticContact CD1-CE2 3.82Å; F41-F45 HydrophobicContact CD1-CE2 3.82Å; F41-F45 HydrophobicContact CD2-CE2 4.17Å; F41-F45 AromaticContact CE1-CD2 3.8Å; F41-F45 HydrophobicContact CE1-CD2 3.8Å; F41-F45 AromaticContact CE1-CE2 3.23Å; F41-F45 HydrophobicContact CE1-CE2 3.23Å; F41-F45 AromaticContact CE1-CZ 4Å; F41-F45 HydrophobicContact CE1-CZ 4Å; F41-F45 AromaticContact CE2-CE2 3.72Å; F41-F45 HydrophobicContact CE2-CE2 3.72Å; F41-F45 HydrophobicContact CE2-CZ 4.07Å; F41-F45 HydrophobicContact CG-CE2 4.19Å; F41-F45 HydrophobicContact CZ-CD2 4.18Å; F41-F45 AromaticContact CZ-CE2 3.16Å; F41-F45 HydrophobicContact CZ-CE2 3.16Å; F41-F45 AromaticContact CZ-CZ 3.52Å; F41-F45 HydrophobicContact CZ-CZ 3.52Å; F41-F45 WeakPolarHBondContact O-CD2 3.48Å; F41-F45 WeakPolarHBondContact O-CE2 3.41Å; F42-F45 PolarHBondContact O-N 3.1Å; Q43-F45 PolarHBondContact O-N 3.13Å; Q43-F45 VanDerWaalsContact O-N 3.16Å; F45-D47 VanDerWaalsContact C-N 3.27Å; F45-I48 HydrophobicContact CD1-CD1 4.02Å; F45-I48 PolarHBondContact O-N 3.36Å; F45-L55 HydrophobicContact CB-CD1 3.13Å; F45-L55 HydrophobicContact CB-CD2 3.57Å; F45-L55 HydrophobicContact CB-CG 3.88Å; F45-L55 HydrophobicContact CD1-CD1 4.44Å; F45-L55 HydrophobicContact CD1-CD2 3.1Å; F45-L55 HydrophobicContact CD1-CG 4.29Å; F45-L55 HydrophobicContact CD2-CD1 4.04Å; F45-L55 HydrophobicContact CD2-CD2 3.48Å; F45-L55 VanDerWaalsContact CD2-CD2 3.48Å; F45-L55 HydrophobicContact CD2-CG 4.22Å; F45-L55 HydrophobicContact CE1-CD2 3.48Å; F45-L55 VanDerWaalsContact CE1-CD2 3.48Å; F45-L55 HydrophobicContact CE2-CD2 3.92Å; F45-L55 HydrophobicContact CG-CD1 3.68Å; F45-L55 HydrophobicContact CG-CD2 3.08Å; F45-L55 HydrophobicContact CG-CG 3.9Å; F45-L55 HydrophobicContact CZ-CD2 3.89Å |
| 46 | T | 45.3 | Very low | 48.5 | Very low | 71 Ų | 71 | 72.5 Ų | 72.5 | 44% | 0.436 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -72.1 | -27.3 | 175.8 | -39.1 | 0 | 0 | 0 | 0 | 110.7 | F42 Q43 I48 | F42-T46 PolarHBondContact O-N 3.43Å; F42-T46 PolarHBondContact O-OG1 3.44Å; Q43-T46 PolarHBondContact O-N 3.31Å; T46-I48 VanDerWaalsContact C-N 3.29Å; T46-I48 PolarHBondContact O-N 3.36Å |
| 47 | D | 48.3 | Very low | 48.5 | Very low | 150 Ų | 150 | 76.8 Ų | 76.8 | 80% | 0.802 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15 | 175.8 | -74.4 | -28.5 | 0 | 0 | 0 | 114.2 | F45 | F45-D47 VanDerWaalsContact C-N 3.27Š|
| 48 | I | 49.9 | Very low | 48.7 | Very low | 111 Ų | 111 | 75 Ų | 75 | 57% | 0.569 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 9.9 | -172.9 | -15.8 | 170.5 | 0 | 0 | 0 | 112.7 | Q44 F45 T46 L50 | Q44-I48 WeakPolarHBondContact O-CD1 3.24Å; Q44-I48 WeakPolarHBondContact O-CG1 3.43Å; F45-I48 HydrophobicContact CD1-CD1 4.02Å; F45-I48 PolarHBondContact O-N 3.36Å; T46-I48 VanDerWaalsContact C-N 3.29Å; T46-I48 PolarHBondContact O-N 3.36Å; I48-L50 PolarHBondContact O-N 2.64Å |
| 49 | G | 46.2 | Very low | 48.6 | Very low | 72 Ų | 72 | 75.1 Ų | 75.1 | 74% | 0.742 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 13.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 50 | L | 48.1 | Very low | 48.9 | Very low | 52 Ų | 52 | 72.4 Ų | 72.4 | 27% | 0.272 | 37% | 0.368 | S | S | . | . | trans | -84.6 | 124.7 | 175.9 | -82.1 | 162.2 | 0 | 0 | 0 | 109.6 | I48 K52 | I48-L50 PolarHBondContact O-N 2.64Å; L50-K52 PolarHBondContact O-N 2.92Å | ||
| 51 | P | 48.1 | Very low | 48.8 | Very low | 75 Ų | 75 | 70.7 Ų | 70.7 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | trans | -55.3 | 134.6 | 174.1 | -20.1 | 29.9 | 0 | 0 | 0 | 109.5 | I53 F54 | P51-I53 PolarHBondContact O-N 3.01Å; P51-F54 PolarHBondContact O-N 3.16Å | ||
| 52 | K | 47.5 | Very low | 48.6 | Very low | 124 Ų | 124 | 74.9 Ų | 74.9 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | -21 | 177.1 | -75.9 | -176.5 | 176.9 | -179.4 | 0 | 115.2 | L50 | L50-K52 PolarHBondContact O-N 2.92Š|
| 53 | I | 41.3 | Very low | 48.3 | Very low | 13 Ų | 13 | 76.1 Ų | 76.1 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -24.5 | -177 | -70.3 | 134.8 | 0 | 0 | 0 | 113.5 | L15 L20 M23 Q24 P51 L55 | L15-I53 HydrophobicContact CD1-CG2 4.41Å; L20-I53 HydrophobicContact CB-CB 4.23Å; L20-I53 HydrophobicContact CB-CD1 3.62Å; L20-I53 HydrophobicContact CB-CG1 3.93Å; L20-I53 HydrophobicContact CB-CG2 3.64Å; L20-I53 HydrophobicContact CD1-CD1 4.36Å; L20-I53 HydrophobicContact CD2-CB 4Å; L20-I53 HydrophobicContact CD2-CG2 3.11Å; L20-I53 HydrophobicContact CG-CD1 4.38Å; L20-I53 HydrophobicContact CG-CG2 3.87Å; L20-I53 WeakPolarHBondContact O-CG1 3.28Å; M23-I53 HydrophobicContact CB-CG2 3.86Å; M23-I53 WeakPolarHBondContact CE-O 3.42Å; M23-I53 HydrophobicContact CG-CG2 3.98Å; M23-I53 HydrophobicContact SD-CG2 3.71Å; Q24-I53 HydrophobicContact CG-CD1 3.94Å; Q24-I53 HydrophobicContact CG-CG1 3.75Å; P51-I53 PolarHBondContact O-N 3.01Å; I53-L55 PolarHBondContact O-N 3.38Å |
| 54 | F | 47 | Very low | 48.1 | Very low | 7 Ų | 7 | 76 Ų | 76 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -70.3 | -21.7 | 178.6 | -125.5 | -102.8 | 0 | 0 | 0 | 113.6 | F8 I11 C12 L15 P51 Y56 | F8-F54 HydrophobicContact CB-CD1 4.46Å; F8-F54 HydrophobicContact CB-CE1 4.03Å; F8-F54 AromaticContact CD1-CD1 3.35Å; F8-F54 HydrophobicContact CD1-CD1 3.35Å; F8-F54 AromaticContact CD1-CE1 3.78Å; F8-F54 HydrophobicContact CD1-CE1 3.78Å; F8-F54 AromaticContact CD2-CD1 3.38Å; F8-F54 HydrophobicContact CD2-CD1 3.38Å; F8-F54 AromaticContact CD2-CE1 3.1Å; F8-F54 HydrophobicContact CD2-CE1 3.1Å; F8-F54 HydrophobicContact CD2-CZ 4.26Å; F8-F54 HydrophobicContact CE1-CB 4.09Å; F8-F54 AromaticContact CE1-CD1 3.26Å; F8-F54 HydrophobicContact CE1-CD1 3.26Å; F8-F54 HydrophobicContact CE1-CE1 4.05Å; F8-F54 HydrophobicContact CE1-CG 4.16Å; F8-F54 HydrophobicContact CE2-CB 4.44Å; F8-F54 AromaticContact CE2-CD1 3.21Å; F8-F54 HydrophobicContact CE2-CD1 3.21Å; F8-F54 AromaticContact CE2-CE1 3.34Å; F8-F54 HydrophobicContact CE2-CE1 3.34Å; F8-F54 HydrophobicContact CE2-CG 4.21Å; F8-F54 HydrophobicContact CE2-CZ 4.43Å; F8-F54 WeakPolarHBondContact CE2-O 3.45Å; F8-F54 AromaticContact CG-CD1 3.42Å; F8-F54 HydrophobicContact CG-CD1 3.42Å; F8-F54 VanDerWaalsContact CG-CD1 3.42Å; F8-F54 AromaticContact CG-CE1 3.31Å; F8-F54 HydrophobicContact CG-CE1 3.31Å; F8-F54 HydrophobicContact CZ-CB 3.81Å; F8-F54 AromaticContact CZ-CD1 3.16Å; F8-F54 HydrophobicContact CZ-CD1 3.16Å; F8-F54 AromaticContact CZ-CE1 3.82Å; F8-F54 HydrophobicContact CZ-CE1 3.82Å; F8-F54 AromaticContact CZ-CG 3.96Å; F8-F54 HydrophobicContact CZ-CG 3.96Å; F8-F54 WeakPolarHBondContact CZ-O 3.47Å; F8-F54 WeakPolarHBondContact O-CE1 3.15Å; F8-F54 WeakPolarHBondContact O-CZ 3.47Å; I11-F54 HydrophobicContact CB-CE1 4.15Å; I11-F54 HydrophobicContact CB-CZ 3.51Å; I11-F54 HydrophobicContact CG2-CE1 4.47Å; I11-F54 HydrophobicContact CG2-CE2 4.31Å; I11-F54 HydrophobicContact CG2-CZ 3.56Å; C12-F54 HydrophobicContact CB-CD1 4.27Å; C12-F54 HydrophobicContact CB-CD2 3.46Å; C12-F54 VanDerWaalsContact CB-CD2 3.46Å; C12-F54 HydrophobicContact CB-CE1 4.21Å; C12-F54 HydrophobicContact CB-CE2 3.43Å; C12-F54 VanDerWaalsContact CB-CE2 3.43Å; C12-F54 HydrophobicContact CB-CG 4.01Å; C12-F54 HydrophobicContact CB-CZ 3.84Å; C12-F54 WeakPolarHBondContact SG-CD1 3.49Å; C12-F54 WeakPolarHBondContact SG-CD2 3.23Å; C12-F54 WeakPolarHBondContact SG-CE1 3.3Å; C12-F54 WeakPolarHBondContact SG-CE2 3.33Å; C12-F54 WeakPolarHBondContact SG-CG 2.88Å; C12-F54 WeakPolarHBondContact SG-CZ 3.39Å; L15-F54 HydrophobicContact CD1-CD2 4.36Å; L15-F54 HydrophobicContact CD1-CE2 3.65Å; L15-F54 HydrophobicContact CG-CE2 4.17Å; P51-F54 PolarHBondContact O-N 3.16Å; F54-Y56 VanDerWaalsContact C-N 3.35Å; F54-Y56 PolarHBondContact O-N 2.85Å |
| 55 | L | 50.8 | Low | 48.4 | Very low | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -96.3 | 16.5 | -164 | -60.2 | 160.7 | 0 | 0 | 0 | 113.5 | F8 F41 F42 F45 I53 V59 | F8-L55 HydrophobicContact CZ-CD2 4.4Å; F41-L55 HydrophobicContact CE1-CB 4.35Å; F42-L55 HydrophobicContact CD1-CB 4.28Å; F42-L55 HydrophobicContact CD1-CD1 4.32Å; F42-L55 HydrophobicContact CE1-CB 3.7Å; F45-L55 HydrophobicContact CB-CD1 3.13Å; F45-L55 HydrophobicContact CB-CD2 3.57Å; F45-L55 HydrophobicContact CB-CG 3.88Å; F45-L55 HydrophobicContact CD1-CD1 4.44Å; F45-L55 HydrophobicContact CD1-CD2 3.1Å; F45-L55 HydrophobicContact CD1-CG 4.29Å; F45-L55 HydrophobicContact CD2-CD1 4.04Å; F45-L55 HydrophobicContact CD2-CD2 3.48Å; F45-L55 VanDerWaalsContact CD2-CD2 3.48Å; F45-L55 HydrophobicContact CD2-CG 4.22Å; F45-L55 HydrophobicContact CE1-CD2 3.48Å; F45-L55 VanDerWaalsContact CE1-CD2 3.48Å; F45-L55 HydrophobicContact CE2-CD2 3.92Å; F45-L55 HydrophobicContact CG-CD1 3.68Å; F45-L55 HydrophobicContact CG-CD2 3.08Å; F45-L55 HydrophobicContact CG-CG 3.9Å; F45-L55 HydrophobicContact CZ-CD2 3.89Å; I53-L55 PolarHBondContact O-N 3.38Å; L55-V59 HydrophobicContact CB-CG2 4.47Å; L55-V59 WeakPolarHBondContact O-CB 2.99Å; L55-V59 WeakPolarHBondContact O-CG1 2.81Å; L55-V59 WeakPolarHBondContact O-CG2 3.04Å |
| 56 | Y | 51.5 | Low | 48.3 | Very low | 6 Ų | 6 | 79.1 Ų | 79.1 | 2% | 0.024 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -106.2 | -29 | -179.7 | -105.6 | -89.2 | 0 | 0 | 0 | 112.6 | M23 V27 L30 F42 F54 I60 | M23-Y56 VanDerWaalsContact CE-CA 3.48Å; M23-Y56 VanDerWaalsContact CG-CB 3.41Å; M23-Y56 HydrophobicContact CG-CG 4.14Å; V27-Y56 WeakPolarHBondContact CA-OH 3.49Å; V27-Y56 HydrophobicContact CB-CD1 4.32Å; V27-Y56 HydrophobicContact CB-CD2 4.05Å; V27-Y56 HydrophobicContact CB-CE1 3.7Å; V27-Y56 HydrophobicContact CB-CE2 3.32Å; V27-Y56 HydrophobicContact CB-CG 4.48Å; V27-Y56 VanDerWaalsContact CB-OH 3.23Å; V27-Y56 WeakPolarHBondContact CB-OH 3.38Å; V27-Y56 HydrophobicContact CG1-CD2 4.37Å; V27-Y56 HydrophobicContact CG1-CE1 4.26Å; V27-Y56 HydrophobicContact CG1-CE2 3.29Å; V27-Y56 WeakPolarHBondContact CG1-OH 3.11Å; V27-Y56 HydrophobicContact CG2-CD1 3.7Å; V27-Y56 HydrophobicContact CG2-CD2 3.04Å; V27-Y56 HydrophobicContact CG2-CE1 3.56Å; V27-Y56 HydrophobicContact CG2-CE2 2.8Å; V27-Y56 HydrophobicContact CG2-CG 3.47Å; V27-Y56 VanDerWaalsContact CG2-CG 3.47Å; V27-Y56 PolarHBondContact O-OH 3.05Å; L30-Y56 HydrophobicContact CB-CE1 4.23Å; L30-Y56 HydrophobicContact CD1-CE1 4.2Å; F42-Y56 HydrophobicContact CD1-CE2 4.11Å; F42-Y56 HydrophobicContact CD2-CE2 4.37Å; F42-Y56 AromaticContact CE1-CD2 3.52Å; F42-Y56 HydrophobicContact CE1-CD2 3.52Å; F42-Y56 AromaticContact CE1-CE2 3.1Å; F42-Y56 HydrophobicContact CE1-CE2 3.1Å; F42-Y56 AromaticContact CE2-CE2 3.5Å; F42-Y56 HydrophobicContact CE2-CE2 3.5Å; F42-Y56 AromaticContact CE2-CZ 3.57Å; F42-Y56 WeakPolarHBondContact CE2-OH 3.42Å; F42-Y56 AromaticContact CZ-CD2 3.51Å; F42-Y56 HydrophobicContact CZ-CD2 3.51Å; F42-Y56 HydrophobicContact CZ-CE1 4.27Å; F42-Y56 AromaticContact CZ-CE2 2.81Å; F42-Y56 HydrophobicContact CZ-CE2 2.81Å; F42-Y56 HydrophobicContact CZ-CG 4.44Å; F42-Y56 AromaticContact CZ-CZ 3.26Å; F42-Y56 WeakPolarHBondContact CZ-OH 3.17Å; F54-Y56 VanDerWaalsContact C-N 3.35Å; F54-Y56 PolarHBondContact O-N 2.85Å; Y56-I60 HydrophobicContact CD1-CD1 3.84Å; Y56-I60 HydrophobicContact CD1-CG1 4.37Å; Y56-I60 HydrophobicContact CE1-CD1 4.49Å; Y56-I60 WeakPolarHBondContact O-CB 3.03Å; Y56-I60 VanDerWaalsContact O-CD1 3.27Å; Y56-I60 WeakPolarHBondContact O-CD1 3.47Å; Y56-I60 WeakPolarHBondContact O-CG1 3.46Å; Y56-I60 PolarHBondContact O-N 3.03Å |
| 57 | R | 45.1 | Very low | 48.1 | Very low | 178 Ų | 178 | 81.7 Ų | 81.7 | 67% | 0.672 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -92.9 | -51.3 | -169.6 | -157.6 | 172.3 | -175.8 | -177.9 | 0.2 | 112.3 | M23 V59 T61 | M23-R57 HydrophobicContact CE-CB 3.54Å; R57-V59 PolarHBondContact O-N 2.96Å; R57-V59 VanDerWaalsContact O-N 3.16Å; R57-T61 WeakPolarHBondContact O-CB 3.4Å; R57-T61 PolarHBondContact O-N 3.47Å; R57-T61 PolarHBondContact O-OG1 2.67Å |
| 58 | E | 52 | Low | 47.5 | Very low | 90 Ų | 90 | 80 Ų | 80 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.9 | -26.2 | 170.1 | -73.9 | -158.9 | 133.5 | 0 | 0 | 111.8 | F8 Y62 | F8-E58 HydrophobicContact CD2-CG 3.69Å; F8-E58 WeakPolarHBondContact CD2-OE2 3.49Å; F8-E58 HydrophobicContact CE2-CB 4.05Å; F8-E58 HydrophobicContact CE2-CG 3.64Å; F8-E58 WeakPolarHBondContact CE2-OE2 3.36Å; E58-Y62 WeakPolarHBondContact O-CB 3.27Å; E58-Y62 PolarHBondContact O-N 3Å |
| 59 | V | 49.2 | Very low | 46.9 | Very low | 12 Ų | 12 | 82.7 Ų | 82.7 | 7% | 0.073 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -85.9 | -40.5 | -171.6 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | F41 L55 R57 Y62 L63 | F41-V59 HydrophobicContact CD1-CG1 3.59Å; F41-V59 HydrophobicContact CD1-CG2 4.46Å; F41-V59 HydrophobicContact CD2-CG1 4.26Å; F41-V59 HydrophobicContact CE1-CB 3.75Å; F41-V59 HydrophobicContact CE1-CG1 3.17Å; F41-V59 HydrophobicContact CE1-CG2 3.28Å; F41-V59 HydrophobicContact CE2-CG1 3.85Å; F41-V59 HydrophobicContact CE2-CG2 4.19Å; F41-V59 HydrophobicContact CG-CG1 4.15Å; F41-V59 HydrophobicContact CZ-CB 3.74Å; F41-V59 HydrophobicContact CZ-CG1 3.32Å; F41-V59 HydrophobicContact CZ-CG2 3.09Å; L55-V59 HydrophobicContact CB-CG2 4.47Å; L55-V59 WeakPolarHBondContact O-CB 2.99Å; L55-V59 WeakPolarHBondContact O-CG1 2.81Å; L55-V59 WeakPolarHBondContact O-CG2 3.04Å; R57-V59 PolarHBondContact O-N 2.96Å; R57-V59 VanDerWaalsContact O-N 3.16Å; V59-Y62 PolarHBondContact O-N 2.85Å; V59-L63 HydrophobicContact CG1-CD1 4.2Å; V59-L63 WeakPolarHBondContact O-CB 3.43Å; V59-L63 WeakPolarHBondContact O-CD1 3.47Å; V59-L63 WeakPolarHBondContact O-CG 3.33Å; V59-L63 PolarHBondContact O-N 3.37Å |
| 60 | I | 51.2 | Low | 47 | Very low | 51 Ų | 51 | 83.3 Ų | 83.3 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 166.4 | -73.5 | 170 | 0 | 0 | 0 | 109.7 | L30 Y56 Y62 L63 E64 | L30-I60 HydrophobicContact CD1-CD1 3.91Å; L30-I60 HydrophobicContact CD1-CG1 4.13Å; Y56-I60 HydrophobicContact CD1-CD1 3.84Å; Y56-I60 HydrophobicContact CD1-CG1 4.37Å; Y56-I60 HydrophobicContact CE1-CD1 4.49Å; Y56-I60 WeakPolarHBondContact O-CB 3.03Å; Y56-I60 VanDerWaalsContact O-CD1 3.27Å; Y56-I60 WeakPolarHBondContact O-CD1 3.47Å; Y56-I60 WeakPolarHBondContact O-CG1 3.46Å; Y56-I60 PolarHBondContact O-N 3.03Å; I60-Y62 VanDerWaalsContact C-N 3.32Å; I60-Y62 PolarHBondContact O-N 3.2Å; I60-L63 PolarHBondContact O-N 3.5Å; I60-E64 HydrophobicContact CG2-CG 4.37Å; I60-E64 WeakPolarHBondContact O-CB 3.4Å; I60-E64 WeakPolarHBondContact O-CG 3.18Å; I60-E64 PolarHBondContact O-N 2.93Å |
| 61 | T | 52.2 | Low | 46.9 | Very low | 85 Ų | 85 | 84.9 Ų | 84.9 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | R57 D65 | R57-T61 WeakPolarHBondContact O-CB 3.4Å; R57-T61 PolarHBondContact O-N 3.47Å; R57-T61 PolarHBondContact O-OG1 2.67Å; T61-D65 PolarHBondContact O-N 3.24Å; T61-D65 VanDerWaalsContact O-N 3.17Å |
| 62 | Y | 47.7 | Very low | 46.8 | Very low | 137 Ų | 137 | 85.4 Ų | 85.4 | 54% | 0.537 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 174.3 | 178.9 | -95.7 | 0 | 0 | 0 | 113 | E58 V59 I60 K66 | E58-Y62 WeakPolarHBondContact O-CB 3.27Å; E58-Y62 PolarHBondContact O-N 3Å; V59-Y62 PolarHBondContact O-N 2.85Å; I60-Y62 VanDerWaalsContact C-N 3.32Å; I60-Y62 PolarHBondContact O-N 3.2Å; Y62-K66 HydrophobicContact CE1-CG 4.47Å; Y62-K66 WeakPolarHBondContact O-CB 3.17Å; Y62-K66 PolarHBondContact O-N 2.93Å |
| 63 | L | 46 | Very low | 46.8 | Very low | 48 Ų | 48 | 83.2 Ų | 83.2 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.4 | -36.7 | 176.1 | -72.1 | 168.7 | 0 | 0 | 0 | 111.6 | V59 I60 K66 I67 | V59-L63 HydrophobicContact CG1-CD1 4.2Å; V59-L63 WeakPolarHBondContact O-CB 3.43Å; V59-L63 WeakPolarHBondContact O-CD1 3.47Å; V59-L63 WeakPolarHBondContact O-CG 3.33Å; V59-L63 PolarHBondContact O-N 3.37Å; I60-L63 PolarHBondContact O-N 3.5Å; L63-K66 PolarHBondContact O-N 3.17Å; L63-I67 HydrophobicContact CB-CD1 4.11Å; L63-I67 HydrophobicContact CD2-CD1 4.1Å; L63-I67 VanDerWaalsContact O-CB 3.3Å; L63-I67 WeakPolarHBondContact O-CB 3.3Å; L63-I67 VanDerWaalsContact O-CG1 3.26Å; L63-I67 WeakPolarHBondContact O-CG1 3.44Å; L63-I67 PolarHBondContact O-N 3.22Å |
| 64 | E | 44.2 | Very low | 47.2 | Very low | 123 Ų | 123 | 87.6 Ų | 87.6 | 58% | 0.575 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.3 | -39.6 | 173.8 | -76.9 | 179.4 | 151 | 0 | 0 | 112 | I60 K66 C68 | I60-E64 HydrophobicContact CG2-CG 4.37Å; I60-E64 WeakPolarHBondContact O-CB 3.4Å; I60-E64 WeakPolarHBondContact O-CG 3.18Å; I60-E64 PolarHBondContact O-N 2.93Å; E64-K66 VanDerWaalsContact C-N 3.34Å; E64-K66 PolarHBondContact O-N 3.48Å; E64-C68 WeakPolarHBondContact O-CB 3.26Å |
| 65 | D | 54.5 | Low | 47.2 | Very low | 125 Ų | 125 | 92.9 Ų | 92.9 | 67% | 0.668 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.8 | -27.5 | 178.4 | -161.1 | 54.1 | 0 | 0 | 0 | 112.9 | T61 T69 | T61-D65 PolarHBondContact O-N 3.24Å; T61-D65 VanDerWaalsContact O-N 3.17Å; D65-T69 PolarHBondContact O-OG1 3.37Å |
| 66 | K | 48.3 | Very low | 46.9 | Very low | 130 Ų | 130 | 99.5 Ų | 99.5 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -102.6 | -18 | -174.3 | -80.2 | -77.4 | -175.6 | -177.3 | 0 | 116.1 | Y62 L63 E64 | Y62-K66 HydrophobicContact CE1-CG 4.47Å; Y62-K66 WeakPolarHBondContact O-CB 3.17Å; Y62-K66 PolarHBondContact O-N 2.93Å; L63-K66 PolarHBondContact O-N 3.17Å; E64-K66 VanDerWaalsContact C-N 3.34Å; E64-K66 PolarHBondContact O-N 3.48Å |
| 67 | I | 40.1 | Very low | 46.6 | Very low | 125 Ų | 125 | 106.7 Ų | 106.7 | 64% | 0.641 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -97.9 | -23.6 | 178.5 | -62.4 | 171.2 | 0 | 0 | 0 | 111.3 | L63 T69 | L63-I67 HydrophobicContact CB-CD1 4.11Å; L63-I67 HydrophobicContact CD2-CD1 4.1Å; L63-I67 VanDerWaalsContact O-CB 3.3Å; L63-I67 WeakPolarHBondContact O-CB 3.3Å; L63-I67 VanDerWaalsContact O-CG1 3.26Å; L63-I67 WeakPolarHBondContact O-CG1 3.44Å; L63-I67 PolarHBondContact O-N 3.22Å; I67-T69 VanDerWaalsContact C-N 3.33Å |
| 68 | C | 36.3 | Very low | 46.7 | Very low | 116 Ų | 116 | 100.8 Ų | 100.8 | 78% | 0.784 | 53% | 0.527 | S | S | * | . | trans | -92.2 | 17.5 | 175.9 | -73.2 | 0 | 0 | 0 | 0 | 114 | E64 | E64-C68 WeakPolarHBondContact O-CB 3.26Š| ||
| 69 | T | 38.4 | Very low | 46.2 | Very low | 167 Ų | 167 | 101.7 Ų | 101.7 | 100% | 1.025 | 54% | 0.537 | S | S | * | . | trans | -128.3 | 0 | 160.6 | 29.2 | 0 | 0 | 0 | 0 | 109.8 | D65 I67 | D65-T69 PolarHBondContact O-OG1 3.37Å; I67-T69 VanDerWaalsContact C-N 3.33Å |
Retrieved 69 of 69 residues in 117.6 ms
(Link to these results)