| 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 | 23.1 | Very low | 34.1 | Very low | 220 Ų | 220 | 110.2 Ų | 110.2 | 100% | 1.084 | 58% | 0.575 | S | S | * | * | 0 | 102 | 0 | -157.1 | -179.9 | -67.6 | 0 | 0 | 106.5 | |||||
| 2 | V | 23.9 | Very low | 35.2 | Very low | 113 Ų | 113 | 105.4 Ų | 105.4 | 69% | 0.685 | 56% | 0.556 | S | S | * | * | trans | -80.6 | 149.7 | 174.1 | 179.4 | 0 | 0 | 0 | 0 | 106.7 | F75 | V2-F75 HydrophobicContact CB-CZ 4.29Å; V2-F75 WeakPolarHBondContact O-CE1 3.33Å; V2-F75 WeakPolarHBondContact O-CZ 3.48Å | ||
| 3 | V | 27.2 | Very low | 36.4 | Very low | 71 Ų | 71 | 99.9 Ų | 99.9 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | trans | -118 | 118.1 | 175.1 | -161.5 | 0 | 0 | 0 | 0 | 107.2 | R5 M102 | V3-R5 PolarHBondContact O-N 2.88Å; V3-M102 HydrophobicContact CB-CE 3.71Å; V3-M102 HydrophobicContact CB-SD 3.99Å; V3-M102 HydrophobicContact CG1-CE 3.31Å; V3-M102 HydrophobicContact CG1-CG 3.87Å; V3-M102 HydrophobicContact CG1-SD 3.48Å; V3-M102 WeakPolarHBondContact CG1-SD 3.33Å | ||
| 4 | P | 30.5 | Very low | 37.6 | Very low | 27 Ų | 27 | 98 Ų | 98 | 18% | 0.175 | 53% | 0.525 | C | S | . | . | trans | -68.8 | 127.7 | -179.7 | -13.5 | 26.4 | 0 | 0 | 0 | 109.6 | Y6 F75 M102 | P4-Y6 PolarHBondContact O-N 3.01Å; P4-F75 HydrophobicContact CB-CD2 4.33Å; P4-F75 VanDerWaalsContact CD-CE2 3.43Å; P4-F75 HydrophobicContact CG-CB 3.84Å; P4-F75 HydrophobicContact CG-CD1 4.41Å; P4-F75 HydrophobicContact CG-CD2 2.85Å; P4-F75 HydrophobicContact CG-CE2 3.34Å; P4-F75 HydrophobicContact CG-CG 3.45Å; P4-F75 VanDerWaalsContact CG-CG 3.45Å; P4-F75 HydrophobicContact CG-CZ 4.33Å; P4-M102 WeakPolarHBondContact O-CE 3.38Å | ||
| 5 | R | 31 | Very low | 38.6 | Very low | 226 Ų | 226 | 92.8 Ų | 92.8 | 85% | 0.853 | 50% | 0.496 | S | S | * | . | trans | -82.2 | 107.4 | 168.7 | -67 | -179.2 | 178 | -171.5 | -0.3 | 107.9 | V3 M102 | V3-R5 PolarHBondContact O-N 2.88Å; R5-M102 HydrophobicContact CB-CE 4.45Å; R5-M102 HydrophobicContact CG-CE 3.8Å | ||
| 6 | Y | 38.5 | Very low | 39.6 | Very low | 55 Ų | 55 | 91.7 Ų | 91.7 | 22% | 0.216 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 144.4 | 161.5 | -66.4 | -75.1 | 0 | 0 | 0 | 109.3 | P4 R8 | P4-Y6 PolarHBondContact O-N 3.01Å; Y6-R8 PolarHBondContact O-N 2.95Å |
| 7 | P | 36.6 | Very low | 40.5 | Very low | 93 Ų | 93 | 93.9 Ų | 93.9 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 136.6 | 169.2 | 23.1 | -30.5 | 0 | 0 | 0 | 108.7 | G9 A10 | P7-G9 PolarHBondContact O-N 2.72Å; P7-G9 VanDerWaalsContact O-N 3.1Å; P7-A10 PolarHBondContact O-N 3.46Å |
| 8 | R | 39.8 | Very low | 41.1 | Very low | 233 Ų | 233 | 92.8 Ų | 92.8 | 88% | 0.879 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 121.8 | 171.7 | -79.5 | -179.1 | 161.5 | -177.7 | -6.3 | 108.1 | Y6 | Y6-R8 PolarHBondContact O-N 2.95Š|
| 9 | G | 37.1 | Very low | 41.7 | Very low | 69 Ų | 69 | 89 Ų | 89 | 71% | 0.711 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.6 | 12.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | P7 T11 | P7-G9 PolarHBondContact O-N 2.72Å; P7-G9 VanDerWaalsContact O-N 3.1Å; G9-T11 WeakPolarHBondContact O-CG2 2.77Å; G9-T11 PolarHBondContact O-N 2.87Å |
| 10 | A | 42.5 | Very low | 42.3 | Very low | 23 Ų | 23 | 93.8 Ų | 93.8 | 19% | 0.19 | 48% | 0.477 | C | S | . | . | trans | -52.9 | 112.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | P7 F14 F15 | P7-A10 PolarHBondContact O-N 3.46Å; A10-F14 HydrophobicContact CB-CD1 4.4Å; A10-F15 HydrophobicContact CB-CE2 4.36Å | ||
| 11 | T | 44.7 | Very low | 42.8 | Very low | 82 Ų | 82 | 98.5 Ų | 98.5 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | trans | -89.1 | 160.8 | -177.5 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | G9 G13 F14 F15 | G9-T11 WeakPolarHBondContact O-CG2 2.77Å; G9-T11 PolarHBondContact O-N 2.87Å; T11-G13 PolarHBondContact O-N 2.97Å; T11-G13 VanDerWaalsContact O-N 3.08Å; T11-F14 WeakPolarHBondContact O-CB 2.92Å; T11-F14 PolarHBondContact O-N 2.71Å; T11-F15 WeakPolarHBondContact O-CD2 3.32Å | ||
| 12 | P | 47.1 | Very low | 43.9 | Very low | 53 Ų | 53 | 91.3 Ų | 91.3 | 34% | 0.344 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -44.2 | -38.2 | 167.2 | -34.4 | 40.6 | 0 | 0 | 0 | 114.4 | F14 F15 E16 R47 | P12-F14 VanDerWaalsContact C-N 3.32Å; P12-F14 PolarHBondContact O-N 3.5Å; P12-F15 PolarHBondContact O-N 3.03Å; P12-F15 VanDerWaalsContact O-N 3.16Å; P12-E16 WeakPolarHBondContact O-CG 2.82Å; P12-E16 PolarHBondContact O-N 2.93Å; P12-E16 VanDerWaalsContact O-N 3.08Å; P12-R47 VanDerWaalsContact CG-CZ 3.5Å |
| 13 | G | 51.4 | Low | 44.8 | Very low | 34 Ų | 34 | 89 Ų | 89 | 35% | 0.351 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.4 | -32.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T11 F15 E16 E17 | T11-G13 PolarHBondContact O-N 2.97Å; T11-G13 VanDerWaalsContact O-N 3.08Å; G13-F15 VanDerWaalsContact C-N 3.32Å; G13-F15 PolarHBondContact O-N 2.77Å; G13-E16 PolarHBondContact O-N 2Å; G13-E17 WeakPolarHBondContact O-CB 3.48Å; G13-E17 PolarHBondContact O-N 2.97Å |
| 14 | F | 53.6 | Low | 45.8 | Very low | 73 Ų | 73 | 87.4 Ų | 87.4 | 32% | 0.32 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 173.6 | 174 | -96.9 | 0 | 0 | 0 | 111.4 | A10 T11 P12 E17 Q18 | A10-F14 HydrophobicContact CB-CD1 4.4Å; T11-F14 WeakPolarHBondContact O-CB 2.92Å; T11-F14 PolarHBondContact O-N 2.71Å; P12-F14 VanDerWaalsContact C-N 3.32Å; P12-F14 PolarHBondContact O-N 3.5Å; F14-E17 PolarHBondContact O-N 2.89Å; F14-Q18 HydrophobicContact CD1-CG 4.33Å; F14-Q18 HydrophobicContact CE1-CG 3.92Å; F14-Q18 HydrophobicContact CE2-CG 4.26Å; F14-Q18 HydrophobicContact CZ-CG 3.88Å; F14-Q18 VanDerWaalsContact O-CG 3.3Å; F14-Q18 WeakPolarHBondContact O-CG 3.26Å; F14-Q18 PolarHBondContact O-N 3.2Å |
| 15 | F | 52.7 | Low | 46.4 | Very low | 20 Ų | 20 | 89.2 Ų | 89.2 | 9% | 0.088 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -71.6 | -39.1 | 178.5 | -63.1 | -78.4 | 0 | 0 | 0 | 111.9 | A10 T11 P12 G13 E17 Q18 L19 M49 L99 M101 | A10-F15 HydrophobicContact CB-CE2 4.36Å; T11-F15 WeakPolarHBondContact O-CD2 3.32Å; P12-F15 PolarHBondContact O-N 3.03Å; P12-F15 VanDerWaalsContact O-N 3.16Å; G13-F15 VanDerWaalsContact C-N 3.32Å; G13-F15 PolarHBondContact O-N 2.77Å; F15-E17 VanDerWaalsContact C-N 3.27Å; F15-E17 PolarHBondContact O-N 2.86Å; F15-Q18 PolarHBondContact O-N 3.03Å; F15-L19 WeakPolarHBondContact O-CB 2.74Å; F15-L19 VanDerWaalsContact O-CG 3.22Å; F15-L19 WeakPolarHBondContact O-CG 3.11Å; F15-L19 PolarHBondContact O-N 2.84Å; F15-M49 HydrophobicContact CB-SD 4.47Å; F15-L99 HydrophobicContact CD1-CD1 3.68Å; F15-L99 HydrophobicContact CD1-CD2 4.15Å; F15-L99 HydrophobicContact CD2-CD1 4.26Å; F15-L99 HydrophobicContact CE1-CD1 3.7Å; F15-L99 HydrophobicContact CE1-CD2 3.94Å; F15-L99 HydrophobicContact CE1-CG 4.43Å; F15-L99 HydrophobicContact CE2-CD1 4.28Å; F15-L99 HydrophobicContact CG-CD1 3.97Å; F15-L99 HydrophobicContact CZ-CD1 4Å; F15-M101 HydrophobicContact CE2-SD 4.29Å; F15-M101 HydrophobicContact CZ-SD 4.29Å |
| 16 | E | 53.4 | Low | 47.1 | Very low | 75 Ų | 75 | 80.1 Ų | 80.1 | 35% | 0.35 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 172.6 | -66.7 | 177.2 | -177.4 | 0 | 0 | 111.2 | P12 G13 L19 R20 L30 | P12-E16 WeakPolarHBondContact O-CG 2.82Å; P12-E16 PolarHBondContact O-N 2.93Å; P12-E16 VanDerWaalsContact O-N 3.08Å; G13-E16 PolarHBondContact O-N 2Å; E16-L19 PolarHBondContact O-N 2.87Å; E16-R20 WeakPolarHBondContact O-CB 3.37Å; E16-R20 VanDerWaalsContact O-CG 3.24Å; E16-R20 WeakPolarHBondContact O-CG 3.22Å; E16-R20 PolarHBondContact O-N 3.36Å; E16-L30 HydrophobicContact CG-CD1 3.27Å; E16-L30 HydrophobicContact CG-CG 4.04Å; E16-L30 WeakPolarHBondContact OE1-CD1 3.41Å |
| 17 | E | 55.6 | Low | 47.1 | Very low | 130 Ų | 130 | 82.7 Ų | 82.7 | 61% | 0.607 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.2 | -43.7 | 176.7 | -171.7 | 175.8 | -165.4 | 0 | 0 | 112.1 | G13 F14 F15 R20 Y21 | G13-E17 WeakPolarHBondContact O-CB 3.48Å; G13-E17 PolarHBondContact O-N 2.97Å; F14-E17 PolarHBondContact O-N 2.89Å; F15-E17 VanDerWaalsContact C-N 3.27Å; F15-E17 PolarHBondContact O-N 2.86Å; E17-R20 PolarHBondContact O-N 2.84Å; E17-Y21 WeakPolarHBondContact O-CB 3.48Å; E17-Y21 PolarHBondContact O-N 3.35Å |
| 18 | Q | 51.3 | Low | 47.2 | Very low | 73 Ų | 73 | 80.9 Ų | 80.9 | 34% | 0.341 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 175.8 | -70.7 | -62.4 | -44.7 | 0 | 0 | 112.5 | F14 F15 Y21 N22 | F14-Q18 HydrophobicContact CD1-CG 4.33Å; F14-Q18 HydrophobicContact CE1-CG 3.92Å; F14-Q18 HydrophobicContact CE2-CG 4.26Å; F14-Q18 HydrophobicContact CZ-CG 3.88Å; F14-Q18 VanDerWaalsContact O-CG 3.3Å; F14-Q18 WeakPolarHBondContact O-CG 3.26Å; F14-Q18 PolarHBondContact O-N 3.2Å; F15-Q18 PolarHBondContact O-N 3.03Å; Q18-Y21 PolarHBondContact O-N 2.73Å; Q18-N22 PolarHBondContact O-N 3.25Å; Q18-N22 PolarHBondContact O-ND2 2.82Å |
| 19 | L | 53.2 | Low | 47.1 | Very low | 21 Ų | 21 | 73.5 Ų | 73.5 | 11% | 0.11 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 174.1 | -72.2 | 169.5 | 0 | 0 | 0 | 110.1 | F15 E16 Y21 N22 M24 A26 M49 | F15-L19 WeakPolarHBondContact O-CB 2.74Å; F15-L19 VanDerWaalsContact O-CG 3.22Å; F15-L19 WeakPolarHBondContact O-CG 3.11Å; F15-L19 PolarHBondContact O-N 2.84Å; E16-L19 PolarHBondContact O-N 2.87Å; L19-Y21 PolarHBondContact O-N 3.12Å; L19-N22 PolarHBondContact O-N 3.22Å; L19-M24 CarbonylContact C-O 3.46Å; L19-M24 VanDerWaalsContact C-O 3.23Å; L19-M24 HydrophobicContact CB-CB 4.29Å; L19-M24 HydrophobicContact CD2-CB 4.22Å; L19-M24 HydrophobicContact CD2-CE 3.65Å; L19-M24 HydrophobicContact CD2-SD 3.96Å; L19-M24 CarbonylContact O-C 3.5Å; L19-M24 WeakPolarHBondContact O-CA 3.38Å; L19-M24 VanDerWaalsContact O-CB 3.26Å; L19-M24 WeakPolarHBondContact O-CB 3.24Å; L19-M24 PolarHBondContact O-N 3.24Å; L19-M24 VanDerWaalsContact O-O 3.14Å; L19-A26 HydrophobicContact CD1-CB 4.19Å; L19-M49 HydrophobicContact CD1-CE 4.46Å |
| 20 | R | 53.5 | Low | 47.3 | Very low | 184 Ų | 184 | 71.4 Ų | 71.4 | 69% | 0.694 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.8 | -43.7 | 174.6 | -75 | 174.8 | -175.7 | -176.5 | 4.3 | 112.6 | E16 E17 N22 G23 | E16-R20 WeakPolarHBondContact O-CB 3.37Å; E16-R20 VanDerWaalsContact O-CG 3.24Å; E16-R20 WeakPolarHBondContact O-CG 3.22Å; E16-R20 PolarHBondContact O-N 3.36Å; E17-R20 PolarHBondContact O-N 2.84Å; R20-N22 PolarHBondContact O-N 3.11Å; R20-G23 PolarHBondContact O-N 3.22Å |
| 21 | Y | 51.4 | Low | 47 | Very low | 194 Ų | 194 | 78.9 Ų | 78.9 | 76% | 0.761 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.8 | -36.4 | 179.2 | -176.2 | -95.9 | 0 | 0 | 0 | 112.1 | E17 Q18 L19 G23 | E17-Y21 WeakPolarHBondContact O-CB 3.48Å; E17-Y21 PolarHBondContact O-N 3.35Å; Q18-Y21 PolarHBondContact O-N 2.73Å; L19-Y21 PolarHBondContact O-N 3.12Å; Y21-G23 PolarHBondContact O-N 3.2Å |
| 22 | N | 47.7 | Very low | 46.6 | Very low | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 13.1 | 176.5 | -70.9 | -61.9 | 0 | 0 | 0 | 113.8 | Q18 L19 R20 M24 | Q18-N22 PolarHBondContact O-N 3.25Å; Q18-N22 PolarHBondContact O-ND2 2.82Å; L19-N22 PolarHBondContact O-N 3.22Å; R20-N22 PolarHBondContact O-N 3.11Å; N22-M24 HydrophobicContact CB-CE 3.42Å; N22-M24 VanDerWaalsContact CB-CE 3.42Å; N22-M24 HydrophobicContact CB-CG 4.21Å; N22-M24 PolarHBondContact O-N 3.31Å; N22-M24 VanDerWaalsContact O-N 3.15Å |
| 23 | G | 42.5 | Very low | 46.2 | Very low | 66 Ų | 66 | 80.3 Ų | 80.3 | 68% | 0.68 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 8.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R20 Y21 A25 | R20-G23 PolarHBondContact O-N 3.22Å; Y21-G23 PolarHBondContact O-N 3.2Å; G23-A25 VanDerWaalsContact C-N 3.34Å; G23-A25 PolarHBondContact O-N 3.43Å; G23-A25 VanDerWaalsContact O-N 3.11Å |
| 24 | M | 46.7 | Very low | 45.7 | Very low | 36 Ų | 36 | 80.5 Ų | 80.5 | 18% | 0.177 | 43% | 0.427 | C | S | . | . | trans | -85.3 | 80.4 | 175.2 | -57.1 | -174.7 | -88.1 | 0 | 0 | 107.9 | L19 N22 A26 F70 | L19-M24 CarbonylContact C-O 3.46Å; L19-M24 VanDerWaalsContact C-O 3.23Å; L19-M24 HydrophobicContact CB-CB 4.29Å; L19-M24 HydrophobicContact CD2-CB 4.22Å; L19-M24 HydrophobicContact CD2-CE 3.65Å; L19-M24 HydrophobicContact CD2-SD 3.96Å; L19-M24 CarbonylContact O-C 3.5Å; L19-M24 WeakPolarHBondContact O-CA 3.38Å; L19-M24 VanDerWaalsContact O-CB 3.26Å; L19-M24 WeakPolarHBondContact O-CB 3.24Å; L19-M24 PolarHBondContact O-N 3.24Å; L19-M24 VanDerWaalsContact O-O 3.14Å; N22-M24 HydrophobicContact CB-CE 3.42Å; N22-M24 VanDerWaalsContact CB-CE 3.42Å; N22-M24 HydrophobicContact CB-CG 4.21Å; N22-M24 PolarHBondContact O-N 3.31Å; N22-M24 VanDerWaalsContact O-N 3.15Å; M24-A26 VanDerWaalsContact C-N 3.29Å; M24-A26 PolarHBondContact O-N 2.88Å; M24-F70 HydrophobicContact CE-CE1 4.4Å | ||
| 25 | A | 44.9 | Very low | 45.3 | Very low | 66 Ų | 66 | 82.7 Ų | 82.7 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | trans | -62.9 | 95.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | G23 D27 | G23-A25 VanDerWaalsContact C-N 3.34Å; G23-A25 PolarHBondContact O-N 3.43Å; G23-A25 VanDerWaalsContact O-N 3.11Å; A25-D27 VanDerWaalsContact C-N 3.28Å; A25-D27 PolarHBondContact O-N 3.15Å | ||
| 26 | A | 43.9 | Very low | 44.9 | Very low | 35 Ų | 35 | 83.3 Ų | 83.3 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | trans | -70.1 | 90.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108 | L19 M24 T28 | L19-A26 HydrophobicContact CD1-CB 4.19Å; M24-A26 VanDerWaalsContact C-N 3.29Å; M24-A26 PolarHBondContact O-N 2.88Å; A26-T28 PolarHBondContact O-N 2.97Å | ||
| 27 | D | 40.6 | Very low | 44.6 | Very low | 108 Ų | 108 | 85.3 Ų | 85.3 | 58% | 0.578 | 46% | 0.463 | S | S | * | . | trans | -74.9 | 31 | -177.1 | -162.9 | 26.6 | 0 | 0 | 0 | 112.6 | A25 | A25-D27 VanDerWaalsContact C-N 3.28Å; A25-D27 PolarHBondContact O-N 3.15Å | ||
| 28 | T | 38 | Very low | 44.2 | Very low | 56 Ų | 56 | 81 Ų | 81 | 34% | 0.344 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -159.4 | 130.6 | -175.8 | -22.3 | 0 | 0 | 0 | 0 | 111.9 | A26 L30 R52 | A26-T28 PolarHBondContact O-N 2.97Å; T28-L30 PolarHBondContact O-N 3.11Å; T28-R52 WeakPolarHBondContact OG1-CB 3.07Å |
| 29 | S | 36.4 | Very low | 43.7 | Very low | 77 Ų | 77 | 83.6 Ų | 83.6 | 54% | 0.538 | 46% | 0.461 | S | S | . | . | trans | -33.9 | 118.9 | 178 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | R31 | S29-R31 PolarHBondContact O-N 3.3Š| ||
| 30 | L | 41.3 | Very low | 43.3 | Very low | 25 Ų | 25 | 87.5 Ų | 87.5 | 13% | 0.131 | 49% | 0.49 | C | S | . | . | trans | -63.8 | 85.7 | 167.3 | -71.1 | -169.1 | 0 | 0 | 0 | 109.7 | E16 T28 M49 | E16-L30 HydrophobicContact CG-CD1 3.27Å; E16-L30 HydrophobicContact CG-CG 4.04Å; E16-L30 WeakPolarHBondContact OE1-CD1 3.41Å; T28-L30 PolarHBondContact O-N 3.11Å; L30-M49 HydrophobicContact CD1-SD 4.1Å; L30-M49 HydrophobicContact CD2-CB 4.01Å; L30-M49 HydrophobicContact CD2-CG 3.96Å; L30-M49 HydrophobicContact CD2-SD 3.6Å; L30-M49 VanDerWaalsContact CD2-SD 3.6Å; L30-M49 HydrophobicContact CG-SD 4.49Å | ||
| 31 | R | 36.2 | Very low | 42.8 | Very low | 181 Ų | 181 | 82 Ų | 82 | 68% | 0.683 | 48% | 0.476 | S | S | * | . | trans | -85.2 | 116.6 | 174 | -73.4 | -170.7 | 177.8 | -147.1 | -1.1 | 109.3 | S29 L33 | S29-R31 PolarHBondContact O-N 3.3Å; R31-L33 PolarHBondContact O-N 2.7Å | ||
| 32 | S | 37.8 | Very low | 42.4 | Very low | 64 Ų | 64 | 78 Ų | 78 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | trans | -62.5 | 116.4 | 166.2 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | G34 | S32-G34 PolarHBondContact O-N 3.13Š| ||
| 33 | L | 37.8 | Very low | 42 | Very low | 101 Ų | 101 | 76.4 Ų | 76.4 | 53% | 0.529 | 46% | 0.46 | S | S | . | . | trans | -85.5 | 12.4 | 173.8 | -63.2 | 177.3 | 0 | 0 | 0 | 113.3 | R31 V48 | R31-L33 PolarHBondContact O-N 2.7Å; L33-V48 HydrophobicContact CB-CB 4.25Å; L33-V48 HydrophobicContact CD1-CB 4Å; L33-V48 HydrophobicContact CD1-CG1 3.83Å; L33-V48 HydrophobicContact CG-CB 4.44Å | ||
| 34 | G | 40.4 | Very low | 42 | Very low | 37 Ų | 37 | 75.4 Ų | 75.4 | 38% | 0.381 | 44% | 0.439 | S | S | . | . | trans | 105.9 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S32 | S32-G34 PolarHBondContact O-N 3.13Š| ||
| 35 | T | 46.1 | Very low | 42 | Very low | 120 Ų | 120 | 75.7 Ų | 75.7 | 74% | 0.736 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.7 | 172 | 47.7 | 0 | 0 | 0 | 0 | 108.7 | F45 | T35-F45 WeakPolarHBondContact CA-O 3.34Å |
| 36 | G | 45.3 | Very low | 41.8 | Very low | 32 Ų | 32 | 73.5 Ų | 73.5 | 33% | 0.33 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 158.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | N44 F45 | G36-N44 CarbonylContact O-C 3.23Å; G36-N44 WeakPolarHBondContact O-CA 3.35Å; G36-F45 PolarHBondContact N-O 2.94Å; G36-F45 PolarHBondContact O-N 3.44Å |
| 37 | Y | 45.5 | Very low | 41.8 | Very low | 118 Ų | 118 | 74.9 Ų | 74.9 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131.8 | 173.3 | -177.2 | -109 | 0 | 0 | 0 | 109 | N39 N42 L43 N44 | Y37-N39 WeakPolarHBondContact CD1-OD1 3.5Å; Y37-N39 WeakPolarHBondContact CE1-OD1 3.5Å; Y37-N42 PolarHBondContact OH-OD1 2.94Å; Y37-L43 WeakPolarHBondContact CA-O 3.48Å; Y37-N44 WeakPolarHBondContact CD2-OD1 3.3Å |
| 38 | D | 47.2 | Very low | 41.8 | Very low | 38 Ų | 38 | 71.5 Ų | 71.5 | 20% | 0.203 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 110.6 | 173.2 | 172.7 | 17.3 | 0 | 0 | 0 | 110.9 | S40 T41 N42 L43 F45 | D38-S40 VanDerWaalsContact CG-OG 3.26Å; D38-S40 PolarHBondContact O-N 2.9Å; D38-S40 WeakPolarHBondContact OD1-CB 3.5Å; D38-S40 PolarHBondContact OD1-N 2.85Å; D38-S40 PolarHBondContact OD1-OG 2.87Å; D38-S40 PolarHBondContact OD2-OG 3.48Å; D38-S40 VanDerWaalsContact OD2-OG 3.13Å; D38-T41 VanDerWaalsContact CG-OG1 3.24Å; D38-T41 PolarHBondContact O-N 3.45Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.47Å; D38-T41 PolarHBondContact OD2-OG1 3.05Å; D38-N42 WeakPolarHBondContact O-CA 3.35Å; D38-N42 PolarHBondContact O-N 2.81Å; D38-L43 PolarHBondContact N-O 2.67Å; D38-L43 PolarHBondContact O-N 2.93Å; D38-F45 HydrophobicContact CB-CD2 4.32Å; D38-F45 HydrophobicContact CB-CE1 4.1Å; D38-F45 HydrophobicContact CB-CE2 3.29Å; D38-F45 HydrophobicContact CB-CZ 3.15Å |
| 39 | N | 42.1 | Very low | 42.1 | Very low | 129 Ų | 129 | 69 Ų | 69 | 69% | 0.69 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.8 | 178.7 | -74.2 | -4.7 | 0 | 0 | 0 | 113.4 | Y37 | Y37-N39 WeakPolarHBondContact CD1-OD1 3.5Å; Y37-N39 WeakPolarHBondContact CE1-OD1 3.5Å |
| 40 | S | 43.7 | Very low | 42.2 | Very low | 103 Ų | 103 | 69.7 Ų | 69.7 | 72% | 0.72 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -27.2 | -178.6 | 71.6 | 0 | 0 | 0 | 0 | 112.4 | D38 | D38-S40 VanDerWaalsContact CG-OG 3.26Å; D38-S40 PolarHBondContact O-N 2.9Å; D38-S40 WeakPolarHBondContact OD1-CB 3.5Å; D38-S40 PolarHBondContact OD1-N 2.85Å; D38-S40 PolarHBondContact OD1-OG 2.87Å; D38-S40 PolarHBondContact OD2-OG 3.48Å; D38-S40 VanDerWaalsContact OD2-OG 3.13Å |
| 41 | T | 43.6 | Very low | 42.4 | Very low | 67 Ų | 67 | 68.8 Ų | 68.8 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -4.9 | -177.7 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | D38 L43 | D38-T41 VanDerWaalsContact CG-OG1 3.24Å; D38-T41 PolarHBondContact O-N 3.45Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.47Å; D38-T41 PolarHBondContact OD2-OG1 3.05Å; T41-L43 WeakPolarHBondContact O-CG 3.38Å; T41-L43 PolarHBondContact O-N 3.34Å; T41-L43 WeakPolarHBondContact OG1-CG 3.41Å |
| 42 | N | 43.6 | Very low | 42.5 | Very low | 111 Ų | 111 | 66.6 Ų | 66.6 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 37.8 | -171.1 | -77.6 | -19.5 | 0 | 0 | 0 | 112.8 | Y37 D38 | Y37-N42 PolarHBondContact OH-OD1 2.94Å; D38-N42 WeakPolarHBondContact O-CA 3.35Å; D38-N42 PolarHBondContact O-N 2.81Å |
| 43 | L | 39.3 | Very low | 43 | Very low | 35 Ų | 35 | 66.5 Ų | 66.5 | 18% | 0.183 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.8 | -177.2 | -64.7 | 175.7 | 0 | 0 | 0 | 111.5 | Y37 D38 T41 F45 L100 M102 | Y37-L43 WeakPolarHBondContact CA-O 3.48Å; D38-L43 PolarHBondContact N-O 2.67Å; D38-L43 PolarHBondContact O-N 2.93Å; T41-L43 WeakPolarHBondContact O-CG 3.38Å; T41-L43 PolarHBondContact O-N 3.34Å; T41-L43 WeakPolarHBondContact OG1-CG 3.41Å; L43-F45 HydrophobicContact CB-CE1 4.34Å; L43-L100 HydrophobicContact CB-CD2 4.29Å; L43-L100 HydrophobicContact CD1-CD2 3.52Å; L43-L100 HydrophobicContact CG-CD2 4.5Å; L43-M102 HydrophobicContact CD2-CG 4.22Å |
| 44 | N | 41.2 | Very low | 43.2 | Very low | 44 Ų | 44 | 64.1 Ų | 64.1 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 124.3 | 161.8 | -72.5 | -47 | 0 | 0 | 0 | 108.7 | G36 Y37 | G36-N44 CarbonylContact O-C 3.23Å; G36-N44 WeakPolarHBondContact O-CA 3.35Å; Y37-N44 WeakPolarHBondContact CD2-OD1 3.3Å |
| 45 | F | 48.2 | Very low | 43 | Very low | 43 Ų | 43 | 68.8 Ų | 68.8 | 19% | 0.189 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 119.2 | 166.2 | -54.2 | -49.2 | 0 | 0 | 0 | 109.2 | T35 G36 D38 L43 L77 L100 | T35-F45 WeakPolarHBondContact CA-O 3.34Å; G36-F45 PolarHBondContact N-O 2.94Å; G36-F45 PolarHBondContact O-N 3.44Å; D38-F45 HydrophobicContact CB-CD2 4.32Å; D38-F45 HydrophobicContact CB-CE1 4.1Å; D38-F45 HydrophobicContact CB-CE2 3.29Å; D38-F45 HydrophobicContact CB-CZ 3.15Å; L43-F45 HydrophobicContact CB-CE1 4.34Å; F45-L77 HydrophobicContact CD1-CD1 3.52Å; F45-L77 HydrophobicContact CD2-CD1 4.42Å; F45-L77 HydrophobicContact CE1-CD1 3.28Å; F45-L77 HydrophobicContact CE2-CD1 4.13Å; F45-L77 HydrophobicContact CG-CD1 4.1Å; F45-L77 HydrophobicContact CZ-CD1 3.57Å; F45-L77 HydrophobicContact CZ-CD2 4.39Å; F45-L100 HydrophobicContact CD1-CD2 3.66Å; F45-L100 HydrophobicContact CD1-CG 3.59Å; F45-L100 HydrophobicContact CE1-CD1 4.22Å; F45-L100 HydrophobicContact CE1-CD2 3.39Å; F45-L100 HydrophobicContact CE1-CG 3.53Å |
| 46 | A | 39.9 | Very low | 42.6 | Very low | 19 Ų | 19 | 66.9 Ų | 66.9 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 118.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | M101 | A46-M101 HydrophobicContact CB-CB 3.75Å; A46-M101 HydrophobicContact CB-CE 3.07Å; A46-M101 HydrophobicContact CB-CG 3.76Å; A46-M101 HydrophobicContact CB-SD 4.13Å |
| 47 | R | 44.6 | Very low | 42 | Very low | 64 Ų | 64 | 72.5 Ų | 72.5 | 24% | 0.242 | 37% | 0.368 | C | S | . | . | trans | 75.2 | 99.7 | 157.1 | -149.2 | 175.7 | -113.5 | -137.3 | -1.2 | 114.8 | P12 M49 L99 | P12-R47 VanDerWaalsContact CG-CZ 3.5Å; R47-M49 HydrophobicContact CG-CG 4.4Å; R47-L99 PolarHBondContact O-N 3.33Å | ||
| 48 | V | 40.7 | Very low | 41.5 | Very low | 37 Ų | 37 | 70.1 Ų | 70.1 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.6 | 156.7 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | L33 K96 | L33-V48 HydrophobicContact CB-CB 4.25Å; L33-V48 HydrophobicContact CD1-CB 4Å; L33-V48 HydrophobicContact CD1-CG1 3.83Å; L33-V48 HydrophobicContact CG-CB 4.44Å; V48-K96 HydrophobicContact CG1-CD 4.1Å; V48-K96 VanDerWaalsContact CG1-CE 3.45Å; V48-K96 HydrophobicContact CG1-CG 3.5Å; V48-K96 VanDerWaalsContact CG1-CG 3.5Å |
| 49 | M | 42.5 | Very low | 40.7 | Very low | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.025 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.6 | 175.3 | -54.9 | -174.4 | -54.6 | 0 | 0 | 109.6 | F15 L19 L30 R47 V97 L99 | F15-M49 HydrophobicContact CB-SD 4.47Å; L19-M49 HydrophobicContact CD1-CE 4.46Å; L30-M49 HydrophobicContact CD1-SD 4.1Å; L30-M49 HydrophobicContact CD2-CB 4.01Å; L30-M49 HydrophobicContact CD2-CG 3.96Å; L30-M49 HydrophobicContact CD2-SD 3.6Å; L30-M49 VanDerWaalsContact CD2-SD 3.6Å; L30-M49 HydrophobicContact CG-SD 4.49Å; R47-M49 HydrophobicContact CG-CG 4.4Å; M49-V97 HydrophobicContact CE-CG1 4.14Å; M49-V97 PolarHBondContact N-O 3.36Å; M49-V97 PolarHBondContact O-N 2.99Å; M49-L99 HydrophobicContact CE-CD1 3.4Å; M49-L99 HydrophobicContact CE-CD2 4.11Å; M49-L99 HydrophobicContact CE-CG 3.74Å; M49-L99 HydrophobicContact CG-CD1 4.21Å; M49-L99 HydrophobicContact SD-CD1 3.5Å; M49-L99 WeakPolarHBondContact SD-CD1 3.32Å; M49-L99 HydrophobicContact SD-CG 4.37Å |
| 50 | W | 39.8 | Very low | 40.4 | Very low | 90 Ų | 90 | 78.8 Ų | 78.8 | 34% | 0.341 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.6 | 165.9 | -73.6 | 95.7 | 0 | 0 | 0 | 108 | R94 K96 | W50-R94 HydrophobicContact CE3-CB 4.21Å; W50-R94 HydrophobicContact CZ3-CB 3.89Å; W50-K96 HydrophobicContact CH2-CB 4.48Å; W50-K96 HydrophobicContact CZ3-CB 4.31Å |
| 51 | V | 44.1 | Very low | 39.9 | Very low | 7 Ų | 7 | 78.5 Ų | 78.5 | 4% | 0.042 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.1 | 168 | -175.1 | 0 | 0 | 0 | 0 | 106.6 | L95 V97 | V51-L95 HydrophobicContact CB-CB 4.46Å; V51-L95 PolarHBondContact N-O 3.08Å; V51-L95 PolarHBondContact O-N 3.33Å; V51-V97 HydrophobicContact CG2-CG2 4.11Å |
| 52 | R | 40 | Very low | 39.4 | Very low | 135 Ų | 135 | 83.2 Ų | 83.2 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.8 | 166.5 | -171.2 | -178 | -179.1 | -178.6 | -1.9 | 107.1 | T28 | T28-R52 WeakPolarHBondContact OG1-CB 3.07Å |
| 53 | W | 47.6 | Very low | 38.7 | Very low | 61 Ų | 61 | 82 Ų | 82 | 23% | 0.231 | 43% | 0.427 | C | S | . | . | trans | -90.5 | 106.3 | 166.1 | -77.6 | -28.1 | 0 | 0 | 0 | 108.5 | V56 I68 V93 L95 | W53-V56 HydrophobicContact CB-CB 4.35Å; W53-V56 HydrophobicContact CB-CG2 3.67Å; W53-V56 HydrophobicContact CD2-CG2 3.57Å; W53-V56 HydrophobicContact CE3-CG2 3.88Å; W53-V56 HydrophobicContact CG-CG2 3.48Å; W53-V56 VanDerWaalsContact CG-CG2 3.48Å; W53-I68 HydrophobicContact CH2-CD1 3.98Å; W53-I68 HydrophobicContact CZ2-CD1 4.45Å; W53-V93 HydrophobicContact CE3-CB 3.96Å; W53-V93 HydrophobicContact CE3-CG1 4.41Å; W53-V93 HydrophobicContact CE3-CG2 4.41Å; W53-L95 HydrophobicContact CD2-CD1 3.81Å; W53-L95 HydrophobicContact CE3-CD1 3.56Å; W53-L95 HydrophobicContact CH2-CD1 3.21Å; W53-L95 HydrophobicContact CZ2-CD1 3.46Å; W53-L95 VanDerWaalsContact CZ2-CD1 3.46Å; W53-L95 HydrophobicContact CZ3-CD1 3.27Å; W53-L95 HydrophobicContact CZ3-CG 4.46Å | ||
| 54 | S | 41.9 | Very low | 38.2 | Very low | 51 Ų | 51 | 83 Ų | 83 | 36% | 0.357 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -84.8 | -26.7 | 172 | 43.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 55 | D | 36.4 | Very low | 37.7 | Very low | 136 Ų | 136 | 88.5 Ų | 88.5 | 73% | 0.727 | 46% | 0.464 | S | S | * | . | trans | -130.3 | 24 | -165.7 | -56 | -64.6 | 0 | 0 | 0 | 114.3 | E57 | D55-E57 PolarHBondContact O-N 3.34Š| ||
| 56 | V | 36.6 | Very low | 36.8 | Very low | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | trans | -74.2 | 90.2 | 168.1 | 177.1 | 0 | 0 | 0 | 0 | 107.4 | W53 C58 | W53-V56 HydrophobicContact CB-CB 4.35Å; W53-V56 HydrophobicContact CB-CG2 3.67Å; W53-V56 HydrophobicContact CD2-CG2 3.57Å; W53-V56 HydrophobicContact CE3-CG2 3.88Å; W53-V56 HydrophobicContact CG-CG2 3.48Å; W53-V56 VanDerWaalsContact CG-CG2 3.48Å; V56-C58 PolarHBondContact O-N 2.8Å | ||
| 57 | E | 33.3 | Very low | 36.3 | Very low | 150 Ų | 150 | 95.7 Ų | 95.7 | 70% | 0.701 | 51% | 0.511 | S | S | * | . | trans | -50.5 | 111.1 | 156 | -75.3 | -171 | 171.2 | 0 | 0 | 106.4 | D55 R59 | D55-E57 PolarHBondContact O-N 3.34Å; E57-R59 PolarHBondContact O-N 3.36Å; E57-R59 IonicContact OE2-NE 3.8Å | ||
| 58 | C | 34.4 | Very low | 35.9 | Very low | 67 Ų | 67 | 97.2 Ų | 97.2 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | trans | -64.4 | 79.4 | 166.2 | -87.9 | 0 | 0 | 0 | 0 | 108.9 | V56 M60 C90 | V56-C58 PolarHBondContact O-N 2.8Å; C58-M60 PolarHBondContact O-N 3.33Å; C58-C90 HydrophobicContact CB-CB 3.64Å; C58-C90 WeakPolarHBondContact CB-SG 3.41Å; C58-C90 WeakPolarHBondContact SG-CB 3.39Å; C58-C90 CovalentContact SG-SG 2Å; C58-C90 PolarHBondContact SG-SG 3.24Å | ||
| 59 | R | 32.2 | Very low | 35.5 | Very low | 203 Ų | 203 | 103.9 Ų | 103.9 | 77% | 0.766 | 55% | 0.549 | S | S | * | . | trans | -72.7 | 82.8 | 149.3 | -68.2 | -171.3 | 179.2 | -156.1 | -1.9 | 105.3 | E57 T61 | E57-R59 PolarHBondContact O-N 3.36Å; E57-R59 IonicContact OE2-NE 3.8Å; R59-T61 PolarHBondContact O-N 2.85Å | ||
| 60 | M | 34.2 | Very low | 35.3 | Very low | 147 Ų | 147 | 106.8 Ų | 106.8 | 72% | 0.724 | 56% | 0.562 | S | S | * | * | trans | -61.2 | 93.2 | 154.1 | -66 | -159 | -144.4 | 0 | 0 | 104.8 | C58 D62 | C58-M60 PolarHBondContact O-N 3.33Å; M60-D62 VanDerWaalsContact C-N 3.26Å; M60-D62 PolarHBondContact O-N 3.3Å | ||
| 61 | T | 33.2 | Very low | 34.9 | Very low | 96 Ų | 96 | 105.8 Ų | 105.8 | 59% | 0.589 | 57% | 0.567 | S | S | * | * | trans | -64.2 | 101.5 | 158.2 | 21.6 | 0 | 0 | 0 | 0 | 104.6 | R59 G63 A64 | R59-T61 PolarHBondContact O-N 2.85Å; T61-G63 PolarHBondContact O-N 2.69Å; T61-A64 PolarHBondContact O-N 2.87Å; T61-A64 WeakPolarHBondContact OG1-CB 2.96Å | ||
| 62 | D | 33.6 | Very low | 34.3 | Very low | 167 Ų | 167 | 110.7 Ų | 110.7 | 89% | 0.893 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.9 | 108.2 | 172.3 | -85 | -32.4 | 0 | 0 | 0 | 108.6 | M60 | M60-D62 VanDerWaalsContact C-N 3.26Å; M60-D62 PolarHBondContact O-N 3.3Å |
| 63 | G | 29.9 | Very low | 33.9 | Very low | 86 Ų | 86 | 109.8 Ų | 109.8 | 89% | 0.887 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.1 | 6.5 | 176 | 0 | 0 | 0 | 0 | 0 | 118 | T61 | T61-G63 PolarHBondContact O-N 2.69Š|
| 64 | A | 27.3 | Very low | 33.3 | Very low | 55 Ų | 55 | 109.3 Ų | 109.3 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | trans | -91.4 | 118.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | T61 S66 | T61-A64 PolarHBondContact O-N 2.87Å; T61-A64 WeakPolarHBondContact OG1-CB 2.96Å; A64-S66 PolarHBondContact O-N 3.28Å | ||
| 65 | E | 30.7 | Very low | 33.1 | Very low | 159 Ų | 159 | 110.1 Ų | 110.1 | 74% | 0.743 | 61% | 0.608 | S | S | * | * | trans | -48.6 | 116.7 | 157.7 | -68.6 | -178.5 | 154.8 | 0 | 0 | 108.1 | N67 | E65-N67 PolarHBondContact O-N 2.9Å; E65-N67 PolarHBondContact OE2-ND2 2.78Å | ||
| 66 | S | 31.1 | Very low | 33.3 | Very low | 117 Ų | 117 | 106.8 Ų | 106.8 | 82% | 0.818 | 59% | 0.587 | S | S | * | * | trans | -73 | 75.8 | 176.4 | 55.3 | 0 | 0 | 0 | 0 | 109 | A64 I68 | A64-S66 PolarHBondContact O-N 3.28Å; S66-I68 PolarHBondContact O-N 2.88Å | ||
| 67 | N | 29.6 | Very low | 33.4 | Very low | 96 Ų | 96 | 105.6 Ų | 105.6 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | trans | -78.1 | 107.7 | 174.1 | -72.4 | -36 | 0 | 0 | 0 | 107.9 | E65 F69 | E65-N67 PolarHBondContact O-N 2.9Å; E65-N67 PolarHBondContact OE2-ND2 2.78Å; N67-F69 HydrophobicContact CB-CD2 4.22Å; N67-F69 HydrophobicContact CB-CE2 3.79Å; N67-F69 HydrophobicContact CB-CZ 4.29Å; N67-F69 WeakPolarHBondContact O-CD2 3.02Å; N67-F69 PolarHBondContact O-N 3.25Å | ||
| 68 | I | 34.5 | Very low | 33.5 | Very low | 96 Ų | 96 | 103.4 Ų | 103.4 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | trans | -75.3 | 104.5 | 165.5 | -56.3 | 174.1 | 0 | 0 | 0 | 106 | W53 S66 F70 | W53-I68 HydrophobicContact CH2-CD1 3.98Å; W53-I68 HydrophobicContact CZ2-CD1 4.45Å; S66-I68 PolarHBondContact O-N 2.88Å; I68-F70 HydrophobicContact CB-CE2 3.89Å; I68-F70 HydrophobicContact CB-CZ 4.18Å; I68-F70 HydrophobicContact CG2-CD1 4.37Å; I68-F70 HydrophobicContact CG2-CD2 4.05Å; I68-F70 HydrophobicContact CG2-CE1 3.79Å; I68-F70 HydrophobicContact CG2-CE2 3.44Å; I68-F70 VanDerWaalsContact CG2-CE2 3.44Å; I68-F70 HydrophobicContact CG2-CZ 3.3Å; I68-F70 PolarHBondContact O-N 3.39Å | ||
| 69 | F | 33.9 | Very low | 33.6 | Very low | 177 Ų | 177 | 103 Ų | 103 | 78% | 0.776 | 57% | 0.57 | S | S | * | * | trans | -76.2 | 106.3 | 174.4 | -76.4 | -88.2 | 0 | 0 | 0 | 108.9 | N67 | N67-F69 HydrophobicContact CB-CD2 4.22Å; N67-F69 HydrophobicContact CB-CE2 3.79Å; N67-F69 HydrophobicContact CB-CZ 4.29Å; N67-F69 WeakPolarHBondContact O-CD2 3.02Å; N67-F69 PolarHBondContact O-N 3.25Å | ||
| 70 | F | 36.7 | Very low | 33.6 | Very low | 67 Ų | 67 | 100.9 Ų | 100.9 | 29% | 0.294 | 57% | 0.569 | S | S | . | * | trans | -88.1 | 142.4 | 164.2 | -62.7 | -74.4 | 0 | 0 | 0 | 108.7 | M24 I68 S72 V74 F76 | M24-F70 HydrophobicContact CE-CE1 4.4Å; I68-F70 HydrophobicContact CB-CE2 3.89Å; I68-F70 HydrophobicContact CB-CZ 4.18Å; I68-F70 HydrophobicContact CG2-CD1 4.37Å; I68-F70 HydrophobicContact CG2-CD2 4.05Å; I68-F70 HydrophobicContact CG2-CE1 3.79Å; I68-F70 HydrophobicContact CG2-CE2 3.44Å; I68-F70 VanDerWaalsContact CG2-CE2 3.44Å; I68-F70 HydrophobicContact CG2-CZ 3.3Å; I68-F70 PolarHBondContact O-N 3.39Å; F70-S72 PolarHBondContact O-N 3.39Å; F70-V74 HydrophobicContact CB-CB 4.21Å; F70-F76 HydrophobicContact CB-CE2 4.26Å; F70-F76 HydrophobicContact CD1-CD2 4.4Å; F70-F76 AromaticContact CD1-CE2 3.31Å; F70-F76 HydrophobicContact CD1-CE2 3.31Å; F70-F76 AromaticContact CD1-CZ 3.65Å; F70-F76 HydrophobicContact CD1-CZ 3.65Å; F70-F76 AromaticContact CD2-CD2 3.94Å; F70-F76 HydrophobicContact CD2-CD2 3.94Å; F70-F76 AromaticContact CD2-CE2 3.6Å; F70-F76 HydrophobicContact CD2-CE2 3.6Å; F70-F76 HydrophobicContact CD2-CZ 4.37Å; F70-F76 HydrophobicContact CE1-CD2 4.45Å; F70-F76 HydrophobicContact CE1-CE1 4.22Å; F70-F76 AromaticContact CE1-CE2 3.34Å; F70-F76 HydrophobicContact CE1-CE2 3.34Å; F70-F76 AromaticContact CE1-CZ 3.2Å; F70-F76 HydrophobicContact CE1-CZ 3.2Å; F70-F76 AromaticContact CE2-CD2 3.99Å; F70-F76 HydrophobicContact CE2-CD2 3.99Å; F70-F76 AromaticContact CE2-CE2 3.62Å; F70-F76 HydrophobicContact CE2-CE2 3.62Å; F70-F76 AromaticContact CE2-CZ 4Å; F70-F76 HydrophobicContact CE2-CZ 4Å; F70-F76 HydrophobicContact CG-CD2 4.14Å; F70-F76 AromaticContact CG-CE2 3.43Å; F70-F76 HydrophobicContact CG-CE2 3.43Å; F70-F76 VanDerWaalsContact CG-CE2 3.43Å; F70-F76 HydrophobicContact CG-CZ 4.2Å; F70-F76 HydrophobicContact CZ-CD2 4.23Å; F70-F76 HydrophobicContact CZ-CE1 4.04Å; F70-F76 AromaticContact CZ-CE2 3.48Å; F70-F76 HydrophobicContact CZ-CE2 3.48Å; F70-F76 VanDerWaalsContact CZ-CE2 3.48Å; F70-F76 AromaticContact CZ-CZ 3.38Å; F70-F76 HydrophobicContact CZ-CZ 3.38Å | ||
| 71 | P | 32 | Very low | 33.6 | Very low | 69 Ų | 69 | 99 Ų | 99 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | trans | -47.7 | 139.4 | 165.8 | -22 | 31.1 | 0 | 0 | 0 | 108.6 | D73 V74 | P71-D73 PolarHBondContact O-N 2.89Å; P71-V74 HydrophobicContact CB-CG2 4.48Å; P71-V74 PolarHBondContact O-N 3.36Å; P71-V74 VanDerWaalsContact O-N 3.11Å | ||
| 72 | S | 30.8 | Very low | 33.5 | Very low | 109 Ų | 109 | 101.9 Ų | 101.9 | 76% | 0.762 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -3.1 | -172.5 | 46 | 0 | 0 | 0 | 0 | 115.8 | F70 | F70-S72 PolarHBondContact O-N 3.39Š|
| 73 | D | 32.8 | Very low | 33.6 | Very low | 116 Ų | 116 | 102.7 Ų | 102.7 | 62% | 0.62 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 8.4 | -172.2 | -50.5 | -38.7 | 0 | 0 | 0 | 113.1 | P71 | P71-D73 PolarHBondContact O-N 2.89Š|
| 74 | V | 33.9 | Very low | 33.5 | Very low | 51 Ų | 51 | 107 Ų | 107 | 31% | 0.309 | 56% | 0.559 | S | S | . | * | trans | -107.7 | 117.5 | 179.7 | -169.5 | 0 | 0 | 0 | 0 | 111.3 | F70 P71 F76 | F70-V74 HydrophobicContact CB-CB 4.21Å; P71-V74 HydrophobicContact CB-CG2 4.48Å; P71-V74 PolarHBondContact O-N 3.36Å; P71-V74 VanDerWaalsContact O-N 3.11Å; V74-F76 HydrophobicContact CB-CE2 4.13Å; V74-F76 HydrophobicContact CG1-CD2 3.87Å; V74-F76 HydrophobicContact CG1-CE2 3.29Å; V74-F76 HydrophobicContact CG1-CZ 3.98Å | ||
| 75 | F | 37.5 | Very low | 33.9 | Very low | 69 Ų | 69 | 109.1 Ų | 109.1 | 30% | 0.303 | 56% | 0.563 | S | S | . | * | trans | -96.4 | 119.7 | 175.6 | -87.4 | -121.6 | 0 | 0 | 0 | 110.8 | V2 P4 | V2-F75 HydrophobicContact CB-CZ 4.29Å; V2-F75 WeakPolarHBondContact O-CE1 3.33Å; V2-F75 WeakPolarHBondContact O-CZ 3.48Å; P4-F75 HydrophobicContact CB-CD2 4.33Å; P4-F75 VanDerWaalsContact CD-CE2 3.43Å; P4-F75 HydrophobicContact CG-CB 3.84Å; P4-F75 HydrophobicContact CG-CD1 4.41Å; P4-F75 HydrophobicContact CG-CD2 2.85Å; P4-F75 HydrophobicContact CG-CE2 3.34Å; P4-F75 HydrophobicContact CG-CG 3.45Å; P4-F75 VanDerWaalsContact CG-CG 3.45Å; P4-F75 HydrophobicContact CG-CZ 4.33Å | ||
| 76 | F | 41.4 | Very low | 34.1 | Very low | 66 Ų | 66 | 105.7 Ų | 105.7 | 29% | 0.289 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 127 | 170.6 | -75.7 | -94.3 | 0 | 0 | 0 | 110.1 | F70 V74 T78 V97 | F70-F76 HydrophobicContact CB-CE2 4.26Å; F70-F76 HydrophobicContact CD1-CD2 4.4Å; F70-F76 AromaticContact CD1-CE2 3.31Å; F70-F76 HydrophobicContact CD1-CE2 3.31Å; F70-F76 AromaticContact CD1-CZ 3.65Å; F70-F76 HydrophobicContact CD1-CZ 3.65Å; F70-F76 AromaticContact CD2-CD2 3.94Å; F70-F76 HydrophobicContact CD2-CD2 3.94Å; F70-F76 AromaticContact CD2-CE2 3.6Å; F70-F76 HydrophobicContact CD2-CE2 3.6Å; F70-F76 HydrophobicContact CD2-CZ 4.37Å; F70-F76 HydrophobicContact CE1-CD2 4.45Å; F70-F76 HydrophobicContact CE1-CE1 4.22Å; F70-F76 AromaticContact CE1-CE2 3.34Å; F70-F76 HydrophobicContact CE1-CE2 3.34Å; F70-F76 AromaticContact CE1-CZ 3.2Å; F70-F76 HydrophobicContact CE1-CZ 3.2Å; F70-F76 AromaticContact CE2-CD2 3.99Å; F70-F76 HydrophobicContact CE2-CD2 3.99Å; F70-F76 AromaticContact CE2-CE2 3.62Å; F70-F76 HydrophobicContact CE2-CE2 3.62Å; F70-F76 AromaticContact CE2-CZ 4Å; F70-F76 HydrophobicContact CE2-CZ 4Å; F70-F76 HydrophobicContact CG-CD2 4.14Å; F70-F76 AromaticContact CG-CE2 3.43Å; F70-F76 HydrophobicContact CG-CE2 3.43Å; F70-F76 VanDerWaalsContact CG-CE2 3.43Å; F70-F76 HydrophobicContact CG-CZ 4.2Å; F70-F76 HydrophobicContact CZ-CD2 4.23Å; F70-F76 HydrophobicContact CZ-CE1 4.04Å; F70-F76 AromaticContact CZ-CE2 3.48Å; F70-F76 HydrophobicContact CZ-CE2 3.48Å; F70-F76 VanDerWaalsContact CZ-CE2 3.48Å; F70-F76 AromaticContact CZ-CZ 3.38Å; F70-F76 HydrophobicContact CZ-CZ 3.38Å; V74-F76 HydrophobicContact CB-CE2 4.13Å; V74-F76 HydrophobicContact CG1-CD2 3.87Å; V74-F76 HydrophobicContact CG1-CE2 3.29Å; V74-F76 HydrophobicContact CG1-CZ 3.98Å; F76-T78 PolarHBondContact O-N 3.08Å; F76-V97 HydrophobicContact CD1-CG1 3.78Å; F76-V97 HydrophobicContact CE1-CG1 3.57Å |
| 77 | L | 38.2 | Very low | 34.4 | Very low | 54 Ų | 54 | 110 Ų | 110 | 28% | 0.283 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.7 | 106.2 | 154.9 | -99.7 | 150.6 | 0 | 0 | 0 | 107.3 | F45 L100 | F45-L77 HydrophobicContact CD1-CD1 3.52Å; F45-L77 HydrophobicContact CD2-CD1 4.42Å; F45-L77 HydrophobicContact CE1-CD1 3.28Å; F45-L77 HydrophobicContact CE2-CD1 4.13Å; F45-L77 HydrophobicContact CG-CD1 4.1Å; F45-L77 HydrophobicContact CZ-CD1 3.57Å; F45-L77 HydrophobicContact CZ-CD2 4.39Å; L77-L100 HydrophobicContact CB-CD1 4.43Å; L77-L100 HydrophobicContact CD1-CB 4.44Å; L77-L100 HydrophobicContact CD1-CD1 3.26Å; L77-L100 HydrophobicContact CD1-CD2 4.45Å; L77-L100 HydrophobicContact CD1-CG 3.42Å; L77-L100 VanDerWaalsContact CD1-CG 3.42Å; L77-L100 HydrophobicContact CG-CD1 3.46Å; L77-L100 VanDerWaalsContact CG-CD1 3.46Å; L77-L100 HydrophobicContact CG-CG 4.2Å |
| 78 | T | 36 | Very low | 34.9 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 64% | 0.644 | 57% | 0.572 | S | S | * | * | trans | 34.3 | 96.8 | 159.5 | 46.2 | 0 | 0 | 0 | 0 | 114.5 | F76 Q80 | F76-T78 PolarHBondContact O-N 3.08Å; T78-Q80 PolarHBondContact O-N 3.44Å | ||
| 79 | V | 36.9 | Very low | 35 | Very low | 59 Ų | 59 | 111.8 Ų | 111.8 | 36% | 0.358 | 58% | 0.579 | S | S | . | * | trans | -64 | 89.6 | 151.6 | 178.4 | 0 | 0 | 0 | 0 | 106.2 | L81 L95 | V79-L81 HydrophobicContact CG1-CD1 4.28Å; V79-L81 HydrophobicContact CG1-CG 3.91Å; V79-L81 PolarHBondContact O-N 3.16Å; V79-L95 HydrophobicContact CG1-CD2 3.3Å | ||
| 80 | Q | 32.5 | Very low | 35.3 | Very low | 158 Ų | 158 | 106.6 Ų | 106.6 | 74% | 0.738 | 57% | 0.565 | S | S | * | * | trans | -66.5 | 87.5 | 155.7 | -87.9 | -173.1 | -16.4 | 0 | 0 | 105.2 | T78 L82 | T78-Q80 PolarHBondContact O-N 3.44Å; Q80-L82 PolarHBondContact O-N 3.4Å | ||
| 81 | L | 33.2 | Very low | 35.6 | Very low | 108 Ų | 108 | 105.7 Ų | 105.7 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | trans | -53 | 102 | 156.4 | -94.8 | 146.3 | 0 | 0 | 0 | 104.8 | V79 R83 | V79-L81 HydrophobicContact CG1-CD1 4.28Å; V79-L81 HydrophobicContact CG1-CG 3.91Å; V79-L81 PolarHBondContact O-N 3.16Å; L81-R83 HydrophobicContact CB-CB 4.34Å; L81-R83 PolarHBondContact O-N 2.96Å | ||
| 82 | L | 31.7 | Very low | 36.1 | Very low | 155 Ų | 155 | 106.9 Ų | 106.9 | 81% | 0.812 | 58% | 0.582 | S | S | * | * | trans | -66.6 | 70.8 | 159.6 | -84.6 | 162.5 | 0 | 0 | 0 | 106.2 | Q80 Q84 | Q80-L82 PolarHBondContact O-N 3.4Å; L82-Q84 PolarHBondContact O-N 3.38Å | ||
| 83 | R | 34.6 | Very low | 36.6 | Very low | 184 Ų | 184 | 104.6 Ų | 104.6 | 69% | 0.694 | 56% | 0.563 | S | S | * | * | trans | -81.6 | 73.1 | 175.1 | -166 | 174.4 | -177.3 | 159.7 | 11.2 | 106.9 | L81 L85 | L81-R83 HydrophobicContact CB-CB 4.34Å; L81-R83 PolarHBondContact O-N 2.96Å; R83-L85 HydrophobicContact CG-CB 3.63Å; R83-L85 HydrophobicContact CG-CD1 3.68Å; R83-L85 HydrophobicContact CG-CG 3.72Å; R83-L85 VanDerWaalsContact CZ-CD1 3.44Å | ||
| 84 | Q | 27.8 | Very low | 37 | Very low | 177 Ų | 177 | 107.3 Ų | 107.3 | 83% | 0.827 | 57% | 0.565 | S | S | * | * | -85.5 | 71.9 | 129.3 | -83 | -177.1 | -30.9 | 0 | 0 | 105.5 | L82 T86 | L82-Q84 PolarHBondContact O-N 3.38Å; Q84-T86 PolarHBondContact O-N 3.43Å | |||
| 85 | L | 35.6 | Very low | 37.4 | Very low | 100 Ų | 100 | 105.5 Ų | 105.5 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | trans | -66.5 | 80.8 | 150.9 | -89.2 | 168.1 | 0 | 0 | 0 | 104.1 | R83 Q87 | R83-L85 HydrophobicContact CG-CB 3.63Å; R83-L85 HydrophobicContact CG-CD1 3.68Å; R83-L85 HydrophobicContact CG-CG 3.72Å; R83-L85 VanDerWaalsContact CZ-CD1 3.44Å; L85-Q87 PolarHBondContact O-N 2.97Å | ||
| 86 | T | 35 | Very low | 37.6 | Very low | 87 Ų | 87 | 107.7 Ų | 107.7 | 53% | 0.534 | 56% | 0.562 | S | S | . | * | trans | -52.5 | 135.8 | 156.7 | 43.4 | 0 | 0 | 0 | 0 | 105.4 | Q84 E88 | Q84-T86 PolarHBondContact O-N 3.43Å; T86-E88 PolarHBondContact O-N 2.92Å | ||
| 87 | Q | 37.6 | Very low | 37.7 | Very low | 206 Ų | 206 | 105.2 Ų | 105.2 | 96% | 0.963 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -63.3 | 19.1 | -179.9 | -69.4 | 174.5 | -27.2 | 0 | 0 | 113.2 | L85 | L85-Q87 PolarHBondContact O-N 2.97Š|
| 88 | E | 40.2 | Very low | 37.7 | Very low | 168 Ų | 168 | 103.4 Ų | 103.4 | 79% | 0.785 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -123.2 | 85.2 | -172.7 | -66.4 | -169 | 151.7 | 0 | 0 | 108.9 | T86 | T86-E88 PolarHBondContact O-N 2.92Š|
| 89 | G | 36.8 | Very low | 38.1 | Very low | 62 Ų | 62 | 98.9 Ų | 98.9 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | trans | 81.3 | 144.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | G91 | G89-G91 VanDerWaalsContact C-N 3.29Å; G89-G91 PolarHBondContact O-N 2.73Å | ||
| 90 | C | 40.2 | Very low | 38.1 | Very low | 69 Ų | 69 | 97.6 Ų | 97.6 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | trans | -74.5 | 84.5 | 171.5 | -71.7 | 0 | 0 | 0 | 0 | 110.4 | C58 | C58-C90 HydrophobicContact CB-CB 3.64Å; C58-C90 WeakPolarHBondContact CB-SG 3.41Å; C58-C90 WeakPolarHBondContact SG-CB 3.39Å; C58-C90 CovalentContact SG-SG 2Å; C58-C90 PolarHBondContact SG-SG 3.24Å | ||
| 91 | G | 42.5 | Very low | 38.2 | Very low | 47 Ų | 47 | 92.6 Ų | 92.6 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 163.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112 | G89 V93 | G89-G91 VanDerWaalsContact C-N 3.29Å; G89-G91 PolarHBondContact O-N 2.73Å; G91-V93 PolarHBondContact O-N 2.98Å; G91-V93 VanDerWaalsContact O-N 3.12Å |
| 92 | P | 42.3 | Very low | 38.1 | Very low | 95 Ų | 95 | 90.9 Ų | 90.9 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 116.9 | 177.5 | 25 | -33.4 | 0 | 0 | 0 | 110.5 | ||
| 93 | V | 42.5 | Very low | 38.1 | Very low | 61 Ų | 61 | 89.4 Ų | 89.4 | 37% | 0.37 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 127.4 | 176.2 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | W53 G91 L95 | W53-V93 HydrophobicContact CE3-CB 3.96Å; W53-V93 HydrophobicContact CE3-CG1 4.41Å; W53-V93 HydrophobicContact CE3-CG2 4.41Å; G91-V93 PolarHBondContact O-N 2.98Å; G91-V93 VanDerWaalsContact O-N 3.12Å; V93-L95 HydrophobicContact CG1-CD1 4.41Å; V93-L95 HydrophobicContact CG1-CG 4.01Å |
| 94 | R | 40.4 | Very low | 37.7 | Very low | 173 Ų | 173 | 85.9 Ų | 85.9 | 65% | 0.653 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 104.9 | 170.7 | -63.4 | -179.6 | 70.8 | 169 | 2.9 | 108.8 | W50 | W50-R94 HydrophobicContact CE3-CB 4.21Å; W50-R94 HydrophobicContact CZ3-CB 3.89Å |
| 95 | L | 43.4 | Very low | 37.8 | Very low | 12 Ų | 12 | 82.5 Ų | 82.5 | 6% | 0.063 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.7 | 175 | -78.2 | 156.1 | 0 | 0 | 0 | 109.8 | V51 W53 V79 V93 V97 | V51-L95 HydrophobicContact CB-CB 4.46Å; V51-L95 PolarHBondContact N-O 3.08Å; V51-L95 PolarHBondContact O-N 3.33Å; W53-L95 HydrophobicContact CD2-CD1 3.81Å; W53-L95 HydrophobicContact CE3-CD1 3.56Å; W53-L95 HydrophobicContact CH2-CD1 3.21Å; W53-L95 HydrophobicContact CZ2-CD1 3.46Å; W53-L95 VanDerWaalsContact CZ2-CD1 3.46Å; W53-L95 HydrophobicContact CZ3-CD1 3.27Å; W53-L95 HydrophobicContact CZ3-CG 4.46Å; V79-L95 HydrophobicContact CG1-CD2 3.3Å; V93-L95 HydrophobicContact CG1-CD1 4.41Å; V93-L95 HydrophobicContact CG1-CG 4.01Å; L95-V97 HydrophobicContact CB-CG2 4.43Å |
| 96 | K | 40.1 | Very low | 37.4 | Very low | 115 Ų | 115 | 89.5 Ų | 89.5 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 106.2 | 166.7 | -170.1 | -179.2 | -176.9 | -173.6 | 0 | 107.3 | V48 W50 | V48-K96 HydrophobicContact CG1-CD 4.1Å; V48-K96 VanDerWaalsContact CG1-CE 3.45Å; V48-K96 HydrophobicContact CG1-CG 3.5Å; V48-K96 VanDerWaalsContact CG1-CG 3.5Å; W50-K96 HydrophobicContact CH2-CB 4.48Å; W50-K96 HydrophobicContact CZ3-CB 4.31Å |
| 97 | V | 43.9 | Very low | 37.5 | Very low | 14 Ų | 14 | 89.7 Ų | 89.7 | 9% | 0.085 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 114.5 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 107.6 | M49 V51 F76 L95 | M49-V97 HydrophobicContact CE-CG1 4.14Å; M49-V97 PolarHBondContact N-O 3.36Å; M49-V97 PolarHBondContact O-N 2.99Å; V51-V97 HydrophobicContact CG2-CG2 4.11Å; F76-V97 HydrophobicContact CD1-CG1 3.78Å; F76-V97 HydrophobicContact CE1-CG1 3.57Å; L95-V97 HydrophobicContact CB-CG2 4.43Å |
| 98 | G | 39.2 | Very low | 37.5 | Very low | 16 Ų | 16 | 83.5 Ų | 83.5 | 17% | 0.165 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 99 | L | 43.8 | Very low | 37.3 | Very low | 10 Ų | 10 | 78.8 Ų | 78.8 | 5% | 0.052 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.4 | 171.3 | -67.2 | 170.8 | 0 | 0 | 0 | 110.6 | F15 R47 M49 | F15-L99 HydrophobicContact CD1-CD1 3.68Å; F15-L99 HydrophobicContact CD1-CD2 4.15Å; F15-L99 HydrophobicContact CD2-CD1 4.26Å; F15-L99 HydrophobicContact CE1-CD1 3.7Å; F15-L99 HydrophobicContact CE1-CD2 3.94Å; F15-L99 HydrophobicContact CE1-CG 4.43Å; F15-L99 HydrophobicContact CE2-CD1 4.28Å; F15-L99 HydrophobicContact CG-CD1 3.97Å; F15-L99 HydrophobicContact CZ-CD1 4Å; R47-L99 PolarHBondContact O-N 3.33Å; M49-L99 HydrophobicContact CE-CD1 3.4Å; M49-L99 HydrophobicContact CE-CD2 4.11Å; M49-L99 HydrophobicContact CE-CG 3.74Å; M49-L99 HydrophobicContact CG-CD1 4.21Å; M49-L99 HydrophobicContact SD-CD1 3.5Å; M49-L99 WeakPolarHBondContact SD-CD1 3.32Å; M49-L99 HydrophobicContact SD-CG 4.37Å |
| 100 | L | 36 | Very low | 37.3 | Very low | 33 Ų | 33 | 79.8 Ų | 79.8 | 17% | 0.173 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 118.5 | 167.5 | -105.1 | 141.9 | 0 | 0 | 0 | 108.1 | L43 F45 L77 | L43-L100 HydrophobicContact CB-CD2 4.29Å; L43-L100 HydrophobicContact CD1-CD2 3.52Å; L43-L100 HydrophobicContact CG-CD2 4.5Å; F45-L100 HydrophobicContact CD1-CD2 3.66Å; F45-L100 HydrophobicContact CD1-CG 3.59Å; F45-L100 HydrophobicContact CE1-CD1 4.22Å; F45-L100 HydrophobicContact CE1-CD2 3.39Å; F45-L100 HydrophobicContact CE1-CG 3.53Å; L77-L100 HydrophobicContact CB-CD1 4.43Å; L77-L100 HydrophobicContact CD1-CB 4.44Å; L77-L100 HydrophobicContact CD1-CD1 3.26Å; L77-L100 HydrophobicContact CD1-CD2 4.45Å; L77-L100 HydrophobicContact CD1-CG 3.42Å; L77-L100 VanDerWaalsContact CD1-CG 3.42Å; L77-L100 HydrophobicContact CG-CD1 3.46Å; L77-L100 VanDerWaalsContact CG-CD1 3.46Å; L77-L100 HydrophobicContact CG-CG 4.2Å |
| 101 | M | 34.8 | Very low | 37.2 | Very low | 52 Ų | 52 | 80.5 Ų | 80.5 | 26% | 0.256 | 43% | 0.431 | S | S | . | . | trans | -116 | 114.1 | 167.6 | -63.6 | -152.2 | -59.1 | 0 | 0 | 108.7 | F15 A46 Q103 | F15-M101 HydrophobicContact CE2-SD 4.29Å; F15-M101 HydrophobicContact CZ-SD 4.29Å; A46-M101 HydrophobicContact CB-CB 3.75Å; A46-M101 HydrophobicContact CB-CE 3.07Å; A46-M101 HydrophobicContact CB-CG 3.76Å; A46-M101 HydrophobicContact CB-SD 4.13Å; M101-Q103 PolarHBondContact O-N 3.25Å | ||
| 102 | M | 31.1 | Very low | 36.8 | Very low | 72 Ų | 72 | 82.7 Ų | 82.7 | 36% | 0.355 | 43% | 0.428 | S | S | . | . | trans | -62.5 | 106.1 | 172.7 | -85.8 | -167.6 | -78.6 | 0 | 0 | 110 | V3 P4 R5 L43 | V3-M102 HydrophobicContact CB-CE 3.71Å; V3-M102 HydrophobicContact CB-SD 3.99Å; V3-M102 HydrophobicContact CG1-CE 3.31Å; V3-M102 HydrophobicContact CG1-CG 3.87Å; V3-M102 HydrophobicContact CG1-SD 3.48Å; V3-M102 WeakPolarHBondContact CG1-SD 3.33Å; P4-M102 WeakPolarHBondContact O-CE 3.38Å; R5-M102 HydrophobicContact CB-CE 4.45Å; R5-M102 HydrophobicContact CG-CE 3.8Å; L43-M102 HydrophobicContact CD2-CG 4.22Å | ||
| 103 | Q | 32.6 | Very low | 36.4 | Very low | 125 Ų | 125 | 81.9 Ų | 81.9 | 58% | 0.584 | 41% | 0.414 | S | S | * | . | trans | -106.5 | 106.1 | 153.4 | -74.3 | -173.1 | -25.6 | 0 | 0 | 107.1 | M101 C105 | M101-Q103 PolarHBondContact O-N 3.25Å; Q103-C105 PolarHBondContact O-N 3.1Å | ||
| 104 | T | 26.6 | Very low | 36 | Very low | 110 Ų | 110 | 83.5 Ų | 83.5 | 68% | 0.675 | 42% | 0.418 | S | S | * | . | trans | -65.6 | 119.6 | 163.6 | 49.4 | 0 | 0 | 0 | 0 | 107.6 | Q106 | T104-Q106 PolarHBondContact O-N 3.17Å; T104-Q106 VanDerWaalsContact O-N 3.17Å | ||
| 105 | C | 28.7 | Very low | 35.6 | Very low | 106 Ų | 106 | 76 Ų | 76 | 72% | 0.716 | 40% | 0.398 | S | S | * | . | trans | -58.8 | 116.3 | 163.8 | -64.1 | 0 | 0 | 0 | 0 | 107.9 | Q103 | Q103-C105 PolarHBondContact O-N 3.1Š| ||
| 106 | Q | 26.9 | Very low | 34.9 | Very low | 247 Ų | 247 | 81.8 Ų | 81.8 | 100% | 1.154 | 43% | 0.429 | S | S | * | . | trans | -102 | 0 | 149.5 | -75.1 | -168.6 | -44.4 | 0 | 0 | 106.8 | T104 | T104-Q106 PolarHBondContact O-N 3.17Å; T104-Q106 VanDerWaalsContact O-N 3.17Å |
Retrieved 106 of 106 residues in 160 ms
(Link to these results)