| 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 | 35.4 | Very low | 40.2 | Very low | 160 Ų | 160 | 76.7 Ų | 76.7 | 79% | 0.788 | 42% | 0.423 | S | S | * | . | 0 | 127.6 | 0 | -168.6 | 170.2 | 81.5 | 0 | 0 | 105.6 | D3 Q27 | M1-D3 WeakPolarHBondContact CE-OD1 3.28Å; M1-Q27 VanDerWaalsContact O-CD 3.27Å; M1-Q27 WeakPolarHBondContact O-CG 3.49Å; M1-Q27 PolarHBondContact O-OE1 3.28Å | |||
| 2 | V | 32.8 | Very low | 39.6 | Very low | 91 Ų | 91 | 84.5 Ų | 84.5 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 111.3 | 177.7 | 173.8 | 0 | 0 | 0 | 0 | 107 | V4 V24 | V2-V4 HydrophobicContact CG1-CG2 4.2Å; V2-V4 PolarHBondContact O-N 3.45Å; V2-V24 HydrophobicContact CG1-CB 4.49Å; V2-V24 HydrophobicContact CG1-CG1 3.75Å |
| 3 | D | 34.7 | Very low | 39.3 | Very low | 60 Ų | 60 | 85.2 Ų | 85.2 | 32% | 0.321 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.4 | 170.3 | -65.6 | -46.1 | 0 | 0 | 0 | 107.3 | M1 L25 Q27 | M1-D3 WeakPolarHBondContact CE-OD1 3.28Å; D3-L25 HydrophobicContact CB-CB 4.23Å; D3-L25 HydrophobicContact CB-CD1 3.97Å; D3-L25 PolarHBondContact O-N 2.93Å; D3-Q27 PolarHBondContact OD2-NE2 3.34Å |
| 4 | V | 36.1 | Very low | 39.3 | Very low | 90 Ų | 90 | 91.6 Ų | 91.6 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 108.9 | 174 | 178 | 0 | 0 | 0 | 0 | 106.9 | V2 L22 | V2-V4 HydrophobicContact CG1-CG2 4.2Å; V2-V4 PolarHBondContact O-N 3.45Å; V4-L22 HydrophobicContact CG1-CD1 3.72Å; V4-L22 HydrophobicContact CG1-CD2 4.2Å; V4-L22 HydrophobicContact CG1-CG 3.78Å |
| 5 | V | 41.4 | Very low | 39.4 | Very low | 36 Ų | 36 | 89.3 Ų | 89.3 | 22% | 0.218 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 111.1 | 170.5 | -169.9 | 0 | 0 | 0 | 0 | 107.4 | L7 M23 L25 | V5-L7 HydrophobicContact CB-CD2 4.35Å; V5-L7 HydrophobicContact CG1-CD2 3.61Å; V5-L7 HydrophobicContact CG1-CG 4.19Å; V5-L7 PolarHBondContact O-N 2.85Å; V5-M23 HydrophobicContact CB-CB 4.28Å; V5-M23 PolarHBondContact N-O 3.47Å; V5-M23 PolarHBondContact O-N 2.84Å; V5-L25 HydrophobicContact CG2-CD1 3.91Å; V5-L25 HydrophobicContact CG2-CG 4.45Å |
| 6 | D | 42.8 | Very low | 39.9 | Very low | 117 Ų | 117 | 93.4 Ų | 93.4 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 109.8 | 166.3 | -172.7 | -15.7 | 0 | 0 | 0 | 107.6 | S8 | D6-S8 PolarHBondContact OD1-OG 2.97Å |
| 7 | L | 45.2 | Very low | 40.1 | Very low | 5 Ų | 5 | 89.7 Ų | 89.7 | 3% | 0.026 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 94.2 | 178 | -57.4 | 170 | 0 | 0 | 0 | 107.6 | V5 F9 C20 G21 M23 L35 V59 C68 | V5-L7 HydrophobicContact CB-CD2 4.35Å; V5-L7 HydrophobicContact CG1-CD2 3.61Å; V5-L7 HydrophobicContact CG1-CG 4.19Å; V5-L7 PolarHBondContact O-N 2.85Å; L7-F9 HydrophobicContact CB-CD2 4.09Å; L7-F9 HydrophobicContact CB-CE2 3.23Å; L7-F9 HydrophobicContact CB-CZ 3.66Å; L7-F9 HydrophobicContact CD1-CE2 4.26Å; L7-F9 HydrophobicContact CD1-CZ 4Å; L7-F9 HydrophobicContact CG-CE2 4.33Å; L7-F9 HydrophobicContact CG-CZ 4.35Å; L7-F9 WeakPolarHBondContact O-CD2 3.41Å; L7-F9 VanDerWaalsContact O-CE2 3.27Å; L7-F9 WeakPolarHBondContact O-CE2 3.38Å; L7-C20 CarbonylContact O-C 3.48Å; L7-C20 WeakPolarHBondContact O-CA 3.48Å; L7-G21 PolarHBondContact N-O 2.77Å; L7-G21 PolarHBondContact O-N 2.79Å; L7-M23 HydrophobicContact CD1-CB 3.8Å; L7-M23 HydrophobicContact CD1-SD 4.06Å; L7-M23 HydrophobicContact CG-CB 4.4Å; L7-L35 HydrophobicContact CD1-CD1 3.86Å; L7-V59 HydrophobicContact CD1-CG1 4.43Å; L7-C68 HydrophobicContact CB-CB 4.4Å; L7-C68 HydrophobicContact CD2-CB 3.9Å; L7-C68 WeakPolarHBondContact CD2-SG 3.15Å |
| 8 | S | 44.1 | Very low | 40.7 | Very low | 57 Ų | 57 | 88.9 Ų | 88.9 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.6 | 170.8 | -69.7 | 0 | 0 | 0 | 0 | 109.3 | D6 V19 | D6-S8 PolarHBondContact OD1-OG 2.97Å; S8-V19 CarbonylContact C-O 3.5Å; S8-V19 WeakPolarHBondContact CA-O 3.47Å |
| 9 | F | 49.8 | Very low | 41.2 | Very low | 13 Ų | 13 | 85.2 Ų | 85.2 | 6% | 0.057 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.5 | 178.3 | -40.7 | -130 | 0 | 0 | 0 | 108.5 | L7 I18 V19 L38 V67 C68 C69 V70 | L7-F9 HydrophobicContact CB-CD2 4.09Å; L7-F9 HydrophobicContact CB-CE2 3.23Å; L7-F9 HydrophobicContact CB-CZ 3.66Å; L7-F9 HydrophobicContact CD1-CE2 4.26Å; L7-F9 HydrophobicContact CD1-CZ 4Å; L7-F9 HydrophobicContact CG-CE2 4.33Å; L7-F9 HydrophobicContact CG-CZ 4.35Å; L7-F9 WeakPolarHBondContact O-CD2 3.41Å; L7-F9 VanDerWaalsContact O-CE2 3.27Å; L7-F9 WeakPolarHBondContact O-CE2 3.38Å; F9-I18 WeakPolarHBondContact O-CA 3.45Å; F9-V19 HydrophobicContact CB-CB 4.01Å; F9-V19 HydrophobicContact CD2-CB 3.92Å; F9-V19 HydrophobicContact CD2-CG1 3.97Å; F9-V19 WeakPolarHBondContact CD2-O 3.25Å; F9-V19 HydrophobicContact CE2-CG1 4.36Å; F9-V19 HydrophobicContact CG-CB 4.2Å; F9-V19 PolarHBondContact N-O 3.18Å; F9-V19 PolarHBondContact O-N 3.14Å; F9-L38 HydrophobicContact CE2-CD2 4.02Å; F9-L38 HydrophobicContact CZ-CD2 4.32Å; F9-V67 HydrophobicContact CB-CG1 4.48Å; F9-C68 HydrophobicContact CD1-CB 3.64Å; F9-C68 WeakPolarHBondContact CD1-O 3.36Å; F9-C68 HydrophobicContact CD2-CB 4.47Å; F9-C68 VanDerWaalsContact CE1-CA 3.41Å; F9-C68 HydrophobicContact CE1-CB 3.03Å; F9-C68 WeakPolarHBondContact CE1-O 3.36Å; F9-C68 HydrophobicContact CE2-CB 4.08Å; F9-C68 HydrophobicContact CG-CB 4.25Å; F9-C68 HydrophobicContact CZ-CB 3.28Å; F9-C69 VanDerWaalsContact CE1-N 3.29Å; F9-V70 HydrophobicContact CE1-CG2 3.53Å; F9-V70 HydrophobicContact CZ-CG2 3.57Å |
| 10 | L | 38.6 | Very low | 41.7 | Very low | 105 Ų | 105 | 82.7 Ų | 82.7 | 55% | 0.55 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 98.2 | 172.7 | -135.7 | 139.4 | 0 | 0 | 0 | 107.4 | M12 | L10-M12 HydrophobicContact CD2-CG 3.81Å; L10-M12 PolarHBondContact O-N 3.38Å |
| 11 | L | 41.5 | Very low | 42.2 | Very low | 110 Ų | 110 | 78.9 Ų | 78.9 | 58% | 0.576 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 96.6 | 174.3 | -87.2 | 162.6 | 0 | 0 | 0 | 108.1 | S13 V17 V19 | L11-S13 PolarHBondContact O-N 2.92Å; L11-V17 HydrophobicContact CB-CB 4.49Å; L11-V17 PolarHBondContact N-O 3.14Å; L11-V17 VanDerWaalsContact N-O 3.12Å; L11-V19 HydrophobicContact CD1-CG2 3.74Å |
| 12 | M | 32.4 | Very low | 42.8 | Very low | 170 Ų | 170 | 74.7 Ų | 74.7 | 84% | 0.837 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 91.9 | 173.4 | -66.2 | -160.9 | -56.3 | 0 | 0 | 110.4 | L10 | L10-M12 HydrophobicContact CD2-CG 3.81Å; L10-M12 PolarHBondContact O-N 3.38Å |
| 13 | S | 35.5 | Very low | 43.7 | Very low | 93 Ų | 93 | 71 Ų | 71 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -144.5 | 88 | 159.1 | 171.2 | 0 | 0 | 0 | 0 | 109.4 | L11 C15 | L11-S13 PolarHBondContact O-N 2.92Å; S13-C15 PolarHBondContact O-N 3.28Å |
| 14 | N | 40.4 | Very low | 44.3 | Very low | 176 Ų | 176 | 70.2 Ų | 70.2 | 94% | 0.941 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 52.7 | -6.6 | 173.3 | -61.3 | -16 | 0 | 0 | 0 | 118.3 | ||
| 15 | C | 40 | Very low | 44.8 | Very low | 56 Ų | 56 | 67.7 Ų | 67.7 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -125.7 | 129.2 | 169.6 | -66.2 | 0 | 0 | 0 | 0 | 105.9 | S13 V17 | S13-C15 PolarHBondContact O-N 3.28Å; C15-V17 VanDerWaalsContact C-N 3.25Å; C15-V17 HydrophobicContact CB-CG2 3.99Å; C15-V17 PolarHBondContact O-N 3.41Å |
| 16 | E | 47.1 | Very low | 45.2 | Very low | 156 Ų | 156 | 69.6 Ų | 69.6 | 73% | 0.729 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 85.8 | 176 | -71.5 | -175.7 | 166.8 | 0 | 0 | 107.7 | D43 | E16-D43 PolarHBondContact N-OD1 2.88Å; E16-D43 PolarHBondContact O-N 3.3Å |
| 17 | V | 44.7 | Very low | 45.5 | Very low | 30 Ų | 30 | 68.8 Ų | 68.8 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 106.9 | 174.4 | -172 | 0 | 0 | 0 | 0 | 108.7 | L11 C15 V19 F40 | L11-V17 HydrophobicContact CB-CB 4.49Å; L11-V17 PolarHBondContact N-O 3.14Å; L11-V17 VanDerWaalsContact N-O 3.12Å; C15-V17 VanDerWaalsContact C-N 3.25Å; C15-V17 HydrophobicContact CB-CG2 3.99Å; C15-V17 PolarHBondContact O-N 3.41Å; V17-V19 HydrophobicContact CG1-CG2 4.14Å; V17-F40 HydrophobicContact CG1-CB 4.12Å; V17-F40 HydrophobicContact CG1-CD2 4.21Å; V17-F40 HydrophobicContact CG1-CG 4.5Å |
| 18 | I | 49.7 | Very low | 45.8 | Very low | 75 Ų | 75 | 77.1 Ų | 77.1 | 39% | 0.385 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 109.2 | 169.5 | -56.1 | 176.1 | 0 | 0 | 0 | 107.1 | F9 F40 I41 | F9-I18 WeakPolarHBondContact O-CA 3.45Å; I18-F40 CarbonylContact O-C 3.55Å; I18-F40 WeakPolarHBondContact O-CA 3.21Å; I18-I41 HydrophobicContact CB-CB 4.49Å; I18-I41 PolarHBondContact N-O 3.29Å; I18-I41 PolarHBondContact O-N 3.26Å |
| 19 | V | 50.9 | Low | 46.1 | Very low | 19 Ų | 19 | 75.9 Ų | 75.9 | 12% | 0.115 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127.7 | 171 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | S8 F9 L11 V17 L38 W39 F40 | S8-V19 CarbonylContact C-O 3.5Å; S8-V19 WeakPolarHBondContact CA-O 3.47Å; F9-V19 HydrophobicContact CB-CB 4.01Å; F9-V19 HydrophobicContact CD2-CB 3.92Å; F9-V19 HydrophobicContact CD2-CG1 3.97Å; F9-V19 WeakPolarHBondContact CD2-O 3.25Å; F9-V19 HydrophobicContact CE2-CG1 4.36Å; F9-V19 HydrophobicContact CG-CB 4.2Å; F9-V19 PolarHBondContact N-O 3.18Å; F9-V19 PolarHBondContact O-N 3.14Å; L11-V19 HydrophobicContact CD1-CG2 3.74Å; V17-V19 HydrophobicContact CG1-CG2 4.14Å; V19-L38 HydrophobicContact CG1-CD2 4.14Å; V19-W39 CarbonylContact C-O 3.38Å; V19-W39 WeakPolarHBondContact CA-O 3.33Å; V19-W39 VanDerWaalsContact CG1-O 3.29Å; V19-W39 WeakPolarHBondContact CG1-O 3.39Å; V19-F40 HydrophobicContact CB-CB 4.18Å; V19-F40 HydrophobicContact CG1-CB 4.25Å; V19-F40 HydrophobicContact CG2-CB 3.89Å |
| 20 | C | 51 | Low | 46.4 | Very low | 34 Ų | 34 | 87 Ų | 87 | 23% | 0.23 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 106.3 | 173.3 | -64.3 | 0 | 0 | 0 | 0 | 109 | L7 W39 | L7-C20 CarbonylContact O-C 3.48Å; L7-C20 WeakPolarHBondContact O-CA 3.48Å; C20-W39 CarbonylContact C-O 3.48Å; C20-W39 PolarHBondContact N-O 2.97Å; C20-W39 CarbonylContact O-C 3.49Å; C20-W39 VanDerWaalsContact O-CA 3.29Å; C20-W39 WeakPolarHBondContact O-CA 3.45Å; C20-W39 WeakPolarHBondContact O-CB 3.35Å; C20-W39 PolarHBondContact O-N 2.89Å |
| 21 | G | 52.4 | Low | 47 | Very low | 4 Ų | 4 | 85.4 Ų | 85.4 | 4% | 0.041 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 146.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L7 | L7-G21 PolarHBondContact N-O 2.77Å; L7-G21 PolarHBondContact O-N 2.79Å |
| 22 | L | 48.7 | Very low | 47.4 | Very low | 72 Ų | 72 | 89.6 Ų | 89.6 | 38% | 0.377 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 107.6 | 168.7 | -160.9 | 139.4 | 0 | 0 | 0 | 108.9 | V4 V24 S36 S37 | V4-L22 HydrophobicContact CG1-CD1 3.72Å; V4-L22 HydrophobicContact CG1-CD2 4.2Å; V4-L22 HydrophobicContact CG1-CG 3.78Å; L22-V24 HydrophobicContact CD2-CG2 3.65Å; L22-S36 PolarHBondContact O-OG 2.69Å; L22-S37 PolarHBondContact N-O 2.77Å |
| 23 | M | 51.1 | Low | 48.4 | Very low | 13 Ų | 13 | 87.7 Ų | 87.7 | 6% | 0.064 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 120.2 | 175.5 | -167.2 | 160.6 | 173.4 | 0 | 0 | 109.3 | V5 L7 L25 E33 L35 | V5-M23 HydrophobicContact CB-CB 4.28Å; V5-M23 PolarHBondContact N-O 3.47Å; V5-M23 PolarHBondContact O-N 2.84Å; L7-M23 HydrophobicContact CD1-CB 3.8Å; L7-M23 HydrophobicContact CD1-SD 4.06Å; L7-M23 HydrophobicContact CG-CB 4.4Å; M23-L25 HydrophobicContact CE-CD2 4.09Å; M23-L25 HydrophobicContact CG-CD2 4.49Å; M23-E33 HydrophobicContact CE-CB 3.33Å; M23-E33 HydrophobicContact CE-CG 4.06Å; M23-E33 WeakPolarHBondContact CE-OE2 3.48Å; M23-L35 HydrophobicContact CB-CD1 3.62Å; M23-L35 HydrophobicContact CG-CD1 3.93Å; M23-L35 HydrophobicContact SD-CD1 4.35Å |
| 24 | V | 47 | Very low | 49.1 | Very low | 44 Ų | 44 | 90.8 Ų | 90.8 | 27% | 0.267 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 106.3 | 174.5 | 174.3 | 0 | 0 | 0 | 0 | 107 | V2 L22 D26 S36 | V2-V24 HydrophobicContact CG1-CB 4.49Å; V2-V24 HydrophobicContact CG1-CG1 3.75Å; L22-V24 HydrophobicContact CD2-CG2 3.65Å; V24-D26 PolarHBondContact O-N 3.36Å; V24-S36 WeakPolarHBondContact CG2-OG 3.07Å |
| 25 | L | 47 | Very low | 49.7 | Very low | 37 Ų | 37 | 82.9 Ų | 82.9 | 19% | 0.194 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 100.3 | 169.9 | -65.9 | 174.7 | 0 | 0 | 0 | 108.2 | D3 V5 M23 Q27 E33 | D3-L25 HydrophobicContact CB-CB 4.23Å; D3-L25 HydrophobicContact CB-CD1 3.97Å; D3-L25 PolarHBondContact O-N 2.93Å; V5-L25 HydrophobicContact CG2-CD1 3.91Å; V5-L25 HydrophobicContact CG2-CG 4.45Å; M23-L25 HydrophobicContact CE-CD2 4.09Å; M23-L25 HydrophobicContact CG-CD2 4.49Å; L25-Q27 PolarHBondContact O-N 3.29Å; L25-Q27 VanDerWaalsContact O-N 3.14Å; L25-E33 HydrophobicContact CD2-CB 3.64Å; L25-E33 HydrophobicContact CD2-CG 3.51Å |
| 26 | D | 49.1 | Very low | 50.4 | Low | 75 Ų | 75 | 83 Ų | 83 | 40% | 0.401 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 96.6 | 171.3 | -173.7 | -6.3 | 0 | 0 | 0 | 109.2 | V24 E28 A29 | V24-D26 PolarHBondContact O-N 3.36Å; D26-E28 PolarHBondContact O-N 3.2Å; D26-E28 WeakPolarHBondContact OD1-CB 3.33Å; D26-E28 PolarHBondContact OD1-N 3.32Å; D26-A29 HydrophobicContact CB-CB 3.9Å; D26-A29 WeakPolarHBondContact O-CB 3.33Å; D26-A29 PolarHBondContact O-N 3.14Å; D26-A29 VanDerWaalsContact O-N 3.14Å; D26-A29 PolarHBondContact OD1-N 3.26Å |
| 27 | Q | 48.4 | Very low | 50.6 | Low | 101 Ų | 101 | 77.5 Ų | 77.5 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.2 | 177 | -69.2 | -175.5 | -8.9 | 0 | 0 | 112.7 | M1 D3 L25 A29 | M1-Q27 VanDerWaalsContact O-CD 3.27Å; M1-Q27 WeakPolarHBondContact O-CG 3.49Å; M1-Q27 PolarHBondContact O-OE1 3.28Å; D3-Q27 PolarHBondContact OD2-NE2 3.34Å; L25-Q27 PolarHBondContact O-N 3.29Å; L25-Q27 VanDerWaalsContact O-N 3.14Å; Q27-A29 VanDerWaalsContact C-N 3.29Å |
| 28 | E | 51.9 | Low | 50.9 | Low | 179 Ų | 179 | 76.4 Ų | 76.4 | 84% | 0.836 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -26.8 | 177.2 | -62.5 | -165.5 | 160.4 | 0 | 0 | 111.6 | D26 R30 | D26-E28 PolarHBondContact O-N 3.2Å; D26-E28 WeakPolarHBondContact OD1-CB 3.33Å; D26-E28 PolarHBondContact OD1-N 3.32Å; E28-R30 PolarHBondContact O-N 3.4Å |
| 29 | A | 51.2 | Low | 50.9 | Low | 32 Ų | 32 | 78.9 Ų | 78.9 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -75.1 | 39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D26 Q27 G31 R32 | D26-A29 HydrophobicContact CB-CB 3.9Å; D26-A29 WeakPolarHBondContact O-CB 3.33Å; D26-A29 PolarHBondContact O-N 3.14Å; D26-A29 VanDerWaalsContact O-N 3.14Å; D26-A29 PolarHBondContact OD1-N 3.26Å; Q27-A29 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 3.35Å; A29-R32 HydrophobicContact CB-CB 4.19Å; A29-R32 VanDerWaalsContact O-CB 3.28Å; A29-R32 WeakPolarHBondContact O-CB 2.77Å; A29-R32 PolarHBondContact O-N 2.86Å |
| 30 | R | 54.7 | Low | 50.9 | Low | 246 Ų | 246 | 80.3 Ų | 80.3 | 93% | 0.928 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 39.2 | 169 | -61.4 | -175.1 | 175.8 | -176.6 | -1.3 | 114.8 | E28 | E28-R30 PolarHBondContact O-N 3.4Š|
| 31 | G | 51.3 | Low | 50.7 | Low | 71 Ų | 71 | 82 Ų | 82 | 73% | 0.732 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 18.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A29 | A29-G31 PolarHBondContact O-N 3.35Š|
| 32 | R | 50.7 | Low | 50.4 | Low | 199 Ų | 199 | 83.3 Ų | 83.3 | 75% | 0.751 | 41% | 0.407 | S | S | * | . | trans | -88.1 | 109.8 | 168.2 | -69.4 | -173.1 | 178 | -175 | -1.1 | 109.2 | A29 | A29-R32 HydrophobicContact CB-CB 4.19Å; A29-R32 VanDerWaalsContact O-CB 3.28Å; A29-R32 WeakPolarHBondContact O-CB 2.77Å; A29-R32 PolarHBondContact O-N 2.86Å | ||
| 33 | E | 53 | Low | 50.5 | Low | 129 Ų | 129 | 84 Ų | 84 | 60% | 0.603 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 131.7 | 171.8 | -44.8 | -173.9 | 142.6 | 0 | 0 | 109.2 | M23 L25 | M23-E33 HydrophobicContact CE-CB 3.33Å; M23-E33 HydrophobicContact CE-CG 4.06Å; M23-E33 WeakPolarHBondContact CE-OE2 3.48Å; L25-E33 HydrophobicContact CD2-CB 3.64Å; L25-E33 HydrophobicContact CD2-CG 3.51Å |
| 34 | R | 51.3 | Low | 50.3 | Low | 158 Ų | 158 | 95.5 Ų | 95.5 | 60% | 0.596 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 108.3 | 177.1 | -165.1 | 174.9 | -176.3 | 168.4 | 1.2 | 109.8 | S36 S53 | R34-S36 PolarHBondContact O-N 3.41Å; R34-S53 PolarHBondContact NE-OG 2.8Å; R34-S53 PolarHBondContact NH2-OG 3.26Å |
| 35 | L | 53 | Low | 50.1 | Low | 10 Ų | 10 | 100.7 Ų | 100.7 | 5% | 0.052 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 113.6 | 169.5 | -169.1 | 62.8 | 0 | 0 | 0 | 108.3 | L7 M23 L38 S53 I56 V59 V70 | L7-L35 HydrophobicContact CD1-CD1 3.86Å; M23-L35 HydrophobicContact CB-CD1 3.62Å; M23-L35 HydrophobicContact CG-CD1 3.93Å; M23-L35 HydrophobicContact SD-CD1 4.35Å; L35-L38 HydrophobicContact CD2-CD1 3.46Å; L35-L38 VanDerWaalsContact CD2-CD1 3.46Å; L35-L38 HydrophobicContact CD2-CD2 4.01Å; L35-L38 HydrophobicContact CD2-CG 3.63Å; L35-L38 HydrophobicContact CG-CD1 4.46Å; L35-L38 HydrophobicContact CG-CG 4.25Å; L35-S53 WeakPolarHBondContact O-CB 3.46Å; L35-I56 HydrophobicContact CB-CD1 3.91Å; L35-I56 HydrophobicContact CD2-CD1 3.43Å; L35-I56 VanDerWaalsContact CD2-CD1 3.43Å; L35-I56 HydrophobicContact CD2-CG1 4.45Å; L35-I56 HydrophobicContact CG-CD1 4Å; L35-V59 HydrophobicContact CD2-CG2 4.21Å; L35-V70 HydrophobicContact CD2-CG2 4.46Å |
| 36 | S | 53.7 | Low | 50.2 | Low | 60 Ų | 60 | 104 Ų | 104 | 42% | 0.42 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -32 | -175.9 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | L22 V24 R34 | L22-S36 PolarHBondContact O-OG 2.69Å; V24-S36 WeakPolarHBondContact CG2-OG 3.07Å; R34-S36 PolarHBondContact O-N 3.41Å |
| 37 | S | 51.3 | Low | 50.1 | Low | 39 Ų | 39 | 101.4 Ų | 101.4 | 27% | 0.273 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 141 | -176.4 | -52.5 | 0 | 0 | 0 | 0 | 112 | L22 | L22-S37 PolarHBondContact N-O 2.77Å |
| 38 | L | 51.9 | Low | 50.1 | Low | 7 Ų | 7 | 100.3 Ų | 100.3 | 4% | 0.037 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.1 | 171.1 | -78.8 | 159.9 | 0 | 0 | 0 | 108.5 | F9 V19 L35 W51 I56 V70 | F9-L38 HydrophobicContact CE2-CD2 4.02Å; F9-L38 HydrophobicContact CZ-CD2 4.32Å; V19-L38 HydrophobicContact CG1-CD2 4.14Å; L35-L38 HydrophobicContact CD2-CD1 3.46Å; L35-L38 VanDerWaalsContact CD2-CD1 3.46Å; L35-L38 HydrophobicContact CD2-CD2 4.01Å; L35-L38 HydrophobicContact CD2-CG 3.63Å; L35-L38 HydrophobicContact CG-CD1 4.46Å; L35-L38 HydrophobicContact CG-CG 4.25Å; L38-W51 HydrophobicContact CD1-CE3 3.45Å; L38-W51 VanDerWaalsContact CD1-CE3 3.45Å; L38-W51 HydrophobicContact CD1-CZ3 3.7Å; L38-I56 HydrophobicContact CD1-CD1 4.4Å; L38-V70 HydrophobicContact CD1-CG1 4.44Å; L38-V70 HydrophobicContact CD1-CG2 4.28Å; L38-V70 HydrophobicContact CD2-CG2 4.42Å |
| 39 | W | 49.6 | Very low | 49.8 | Very low | 128 Ų | 128 | 96.3 Ų | 96.3 | 49% | 0.485 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 152.8 | 173.2 | -51.9 | 81.6 | 0 | 0 | 0 | 108.3 | V19 C20 H48 | V19-W39 CarbonylContact C-O 3.38Å; V19-W39 WeakPolarHBondContact CA-O 3.33Å; V19-W39 VanDerWaalsContact CG1-O 3.29Å; V19-W39 WeakPolarHBondContact CG1-O 3.39Å; C20-W39 CarbonylContact C-O 3.48Å; C20-W39 PolarHBondContact N-O 2.97Å; C20-W39 CarbonylContact O-C 3.49Å; C20-W39 VanDerWaalsContact O-CA 3.29Å; C20-W39 WeakPolarHBondContact O-CA 3.45Å; C20-W39 WeakPolarHBondContact O-CB 3.35Å; C20-W39 PolarHBondContact O-N 2.89Å; W39-H48 AromaticContact CD2-CD2 3.34Å; W39-H48 AromaticContact CD2-NE2 3.77Å; W39-H48 AromaticContact CE2-CD2 3.75Å; W39-H48 AromaticContact CE2-NE2 3.64Å; W39-H48 HydrophobicContact CE3-CB 3.87Å; W39-H48 AromaticContact CE3-CD2 3.05Å; W39-H48 AromaticContact CE3-CG 3.58Å; W39-H48 AromaticContact CE3-NE2 3.76Å; W39-H48 AromaticContact CH2-CD2 3.6Å; W39-H48 AromaticContact CH2-CE1 3.71Å; W39-H48 AromaticContact CH2-CG 3.96Å; W39-H48 AromaticContact CH2-NE2 3.45Å; W39-H48 WeakPolarHBondContact CH2-NE2 3.32Å; W39-H48 AromaticContact CZ2-CD2 3.88Å; W39-H48 AromaticContact CZ2-NE2 3.49Å; W39-H48 WeakPolarHBondContact CZ2-NE2 3.27Å; W39-H48 HydrophobicContact CZ3-CB 3.8Å; W39-H48 AromaticContact CZ3-CD2 3.19Å; W39-H48 WeakPolarHBondContact CZ3-CD2 3.47Å; W39-H48 AromaticContact CZ3-CE1 3.94Å; W39-H48 AromaticContact CZ3-CG 3.38Å; W39-H48 AromaticContact CZ3-ND1 3.88Å; W39-H48 AromaticContact CZ3-NE2 3.6Å |
| 40 | F | 51.7 | Low | 49.6 | Very low | 49 Ų | 49 | 101.6 Ų | 101.6 | 22% | 0.215 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151.2 | 167.8 | 59.6 | -85.4 | 0 | 0 | 0 | 111.6 | V17 I18 V19 G47 M49 | V17-F40 HydrophobicContact CG1-CB 4.12Å; V17-F40 HydrophobicContact CG1-CD2 4.21Å; V17-F40 HydrophobicContact CG1-CG 4.5Å; I18-F40 CarbonylContact O-C 3.55Å; I18-F40 WeakPolarHBondContact O-CA 3.21Å; V19-F40 HydrophobicContact CB-CB 4.18Å; V19-F40 HydrophobicContact CG1-CB 4.25Å; V19-F40 HydrophobicContact CG2-CB 3.89Å; F40-G47 WeakPolarHBondContact CD1-O 3.43Å; F40-G47 WeakPolarHBondContact CE1-O 3.5Å; F40-G47 PolarHBondContact N-O 3Å; F40-G47 VanDerWaalsContact N-O 3.16Å; F40-G47 PolarHBondContact O-N 3.12Å; F40-M49 HydrophobicContact CD1-CB 4.48Å; F40-M49 HydrophobicContact CE1-CB 3.46Å; F40-M49 VanDerWaalsContact CE1-CB 3.46Å; F40-M49 HydrophobicContact CZ-CB 4.13Å; F40-M49 HydrophobicContact CZ-CE 4.28Å |
| 41 | I | 45.4 | Very low | 49.5 | Very low | 69 Ų | 69 | 94.5 Ų | 94.5 | 35% | 0.354 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 107.7 | 179.3 | -54 | 177.8 | 0 | 0 | 0 | 104.9 | I18 | I18-I41 HydrophobicContact CB-CB 4.49Å; I18-I41 PolarHBondContact N-O 3.29Å; I18-I41 PolarHBondContact O-N 3.26Å |
| 42 | S | 46.1 | Very low | 49.6 | Very low | 31 Ų | 31 | 94.1 Ų | 94.1 | 22% | 0.217 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.8 | 179.6 | 164.2 | 0 | 0 | 0 | 0 | 107.9 | W44 Q45 | S42-W44 VanDerWaalsContact C-N 3.28Å; S42-W44 PolarHBondContact O-N 2.78Å; S42-W44 VanDerWaalsContact O-N 3.12Å; S42-Q45 PolarHBondContact N-O 3.45Å; S42-Q45 WeakPolarHBondContact O-CA 3.5Å; S42-Q45 WeakPolarHBondContact O-CB 3.41Å; S42-Q45 PolarHBondContact O-N 3.48Å; S42-Q45 VanDerWaalsContact O-O 3.1Å |
| 43 | D | 50.3 | Low | 49.9 | Very low | 87 Ų | 87 | 86.3 Ų | 86.3 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | 50.9 | 171.7 | -64.1 | -22.5 | 0 | 0 | 0 | 113.4 | E16 Q45 | E16-D43 PolarHBondContact N-OD1 2.88Å; E16-D43 PolarHBondContact O-N 3.3Å; D43-Q45 PolarHBondContact O-N 3.26Å; D43-Q45 VanDerWaalsContact O-N 3.09Å |
| 44 | W | 47.7 | Very low | 50.3 | Low | 255 Ų | 255 | 88 Ų | 88 | 97% | 0.966 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 3.2 | -178 | -52.7 | 86.1 | 0 | 0 | 0 | 116.3 | S42 | S42-W44 VanDerWaalsContact C-N 3.28Å; S42-W44 PolarHBondContact O-N 2.78Å; S42-W44 VanDerWaalsContact O-N 3.12Å |
| 45 | Q | 43.6 | Very low | 50.7 | Low | 153 Ų | 153 | 81.9 Ų | 81.9 | 72% | 0.715 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 112.1 | 169.4 | -60.2 | -173.3 | 9.3 | 0 | 0 | 109.1 | S42 D43 G47 | S42-Q45 PolarHBondContact N-O 3.45Å; S42-Q45 WeakPolarHBondContact O-CA 3.5Å; S42-Q45 WeakPolarHBondContact O-CB 3.41Å; S42-Q45 PolarHBondContact O-N 3.48Å; S42-Q45 VanDerWaalsContact O-O 3.1Å; D43-Q45 PolarHBondContact O-N 3.26Å; D43-Q45 VanDerWaalsContact O-N 3.09Å; Q45-G47 PolarHBondContact O-N 3.22Å |
| 46 | C | 49.3 | Very low | 51 | Low | 105 Ų | 105 | 82.8 Ų | 82.8 | 71% | 0.709 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 106.8 | 169.5 | -60.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 47 | G | 45.9 | Very low | 51 | Low | 22 Ų | 22 | 85.6 Ų | 85.6 | 23% | 0.227 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F40 Q45 | F40-G47 WeakPolarHBondContact CD1-O 3.43Å; F40-G47 WeakPolarHBondContact CE1-O 3.5Å; F40-G47 PolarHBondContact N-O 3Å; F40-G47 VanDerWaalsContact N-O 3.16Å; F40-G47 PolarHBondContact O-N 3.12Å; Q45-G47 PolarHBondContact O-N 3.22Å |
| 48 | H | 48.1 | Very low | 51.4 | Low | 77 Ų | 77 | 86 Ų | 86 | 36% | 0.356 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 112 | 167.3 | -175 | -128.4 | 0 | 0 | 0 | 108 | W39 M50 | W39-H48 AromaticContact CD2-CD2 3.34Å; W39-H48 AromaticContact CD2-NE2 3.77Å; W39-H48 AromaticContact CE2-CD2 3.75Å; W39-H48 AromaticContact CE2-NE2 3.64Å; W39-H48 HydrophobicContact CE3-CB 3.87Å; W39-H48 AromaticContact CE3-CD2 3.05Å; W39-H48 AromaticContact CE3-CG 3.58Å; W39-H48 AromaticContact CE3-NE2 3.76Å; W39-H48 AromaticContact CH2-CD2 3.6Å; W39-H48 AromaticContact CH2-CE1 3.71Å; W39-H48 AromaticContact CH2-CG 3.96Å; W39-H48 AromaticContact CH2-NE2 3.45Å; W39-H48 WeakPolarHBondContact CH2-NE2 3.32Å; W39-H48 AromaticContact CZ2-CD2 3.88Å; W39-H48 AromaticContact CZ2-NE2 3.49Å; W39-H48 WeakPolarHBondContact CZ2-NE2 3.27Å; W39-H48 HydrophobicContact CZ3-CB 3.8Å; W39-H48 AromaticContact CZ3-CD2 3.19Å; W39-H48 WeakPolarHBondContact CZ3-CD2 3.47Å; W39-H48 AromaticContact CZ3-CE1 3.94Å; W39-H48 AromaticContact CZ3-CG 3.38Å; W39-H48 AromaticContact CZ3-ND1 3.88Å; W39-H48 AromaticContact CZ3-NE2 3.6Å; H48-M50 WeakPolarHBondContact CE1-CG 3.11Å |
| 49 | M | 46.7 | Very low | 51.7 | Low | 96 Ų | 96 | 87.5 Ų | 87.5 | 47% | 0.473 | 44% | 0.443 | S | S | . | . | trans | -111.8 | 109.1 | 167.4 | -165.2 | 176.8 | -62.1 | 0 | 0 | 106.9 | F40 W51 | F40-M49 HydrophobicContact CD1-CB 4.48Å; F40-M49 HydrophobicContact CE1-CB 3.46Å; F40-M49 VanDerWaalsContact CE1-CB 3.46Å; F40-M49 HydrophobicContact CZ-CB 4.13Å; F40-M49 HydrophobicContact CZ-CE 4.28Å; M49-W51 PolarHBondContact O-N 2.74Å; M49-W51 HydrophobicContact SD-CZ2 4.12Å; M49-W51 PolarHBondContact SD-NE1 2.9Å | ||
| 50 | M | 47.2 | Very low | 51.9 | Low | 143 Ų | 143 | 86.6 Ų | 86.6 | 70% | 0.704 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 116.7 | 168.8 | -72.4 | -177.5 | -79.7 | 0 | 0 | 107.9 | H48 | H48-M50 WeakPolarHBondContact CE1-CG 3.11Š|
| 51 | W | 52.5 | Low | 52.1 | Low | 96 Ų | 96 | 91.6 Ų | 91.6 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -93 | 140 | 161.4 | -64.5 | -28.6 | 0 | 0 | 0 | 109.1 | L38 M49 S53 L72 | L38-W51 HydrophobicContact CD1-CE3 3.45Å; L38-W51 VanDerWaalsContact CD1-CE3 3.45Å; L38-W51 HydrophobicContact CD1-CZ3 3.7Å; M49-W51 PolarHBondContact O-N 2.74Å; M49-W51 HydrophobicContact SD-CZ2 4.12Å; M49-W51 PolarHBondContact SD-NE1 2.9Å; W51-S53 PolarHBondContact O-N 2.78Å; W51-L72 HydrophobicContact CD2-CD1 3.84Å; W51-L72 HydrophobicContact CD2-CD2 4.12Å; W51-L72 HydrophobicContact CE3-CD1 3.72Å; W51-L72 HydrophobicContact CE3-CD2 3.54Å; W51-L72 HydrophobicContact CE3-CG 4.2Å; W51-L72 HydrophobicContact CH2-CD1 3.63Å; W51-L72 HydrophobicContact CZ2-CD1 3.72Å; W51-L72 HydrophobicContact CZ3-CD1 3.62Å; W51-L72 HydrophobicContact CZ3-CD2 3.89Å; W51-L72 HydrophobicContact CZ3-CG 4.16Å |
| 52 | S | 53.2 | Low | 52.3 | Low | 63 Ų | 63 | 93.2 Ų | 93.2 | 44% | 0.441 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 137.4 | 166.4 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | E54 A55 | S52-E54 PolarHBondContact O-N 3.16Å; S52-E54 WeakPolarHBondContact OG-CB 3.42Å; S52-E54 PolarHBondContact OG-N 3.01Å; S52-A55 WeakPolarHBondContact O-CB 3.29Å; S52-A55 PolarHBondContact O-N 2.7Å |
| 53 | S | 56.3 | Low | 53.1 | Low | 36 Ų | 36 | 98.4 Ų | 98.4 | 25% | 0.252 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -55 | -22.7 | 172.2 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | R34 L35 W51 A55 I56 | R34-S53 PolarHBondContact NE-OG 2.8Å; R34-S53 PolarHBondContact NH2-OG 3.26Å; L35-S53 WeakPolarHBondContact O-CB 3.46Å; W51-S53 PolarHBondContact O-N 2.78Å; S53-A55 VanDerWaalsContact C-N 3.3Å; S53-I56 PolarHBondContact O-N 2.79Å |
| 54 | E | 61.6 | Low | 53.6 | Low | 163 Ų | 163 | 101.3 Ų | 101.3 | 76% | 0.762 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -72 | -22.5 | 177 | -59.4 | 179.9 | 165.1 | 0 | 0 | 113.3 | S52 I56 | S52-E54 PolarHBondContact O-N 3.16Å; S52-E54 WeakPolarHBondContact OG-CB 3.42Å; S52-E54 PolarHBondContact OG-N 3.01Å; E54-I56 VanDerWaalsContact C-N 3.28Å |
| 55 | A | 58.7 | Low | 53.7 | Low | 30 Ų | 30 | 93.4 Ų | 93.4 | 25% | 0.248 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -81 | -9.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S52 S53 L72 A73 | S52-A55 WeakPolarHBondContact O-CB 3.29Å; S52-A55 PolarHBondContact O-N 2.7Å; S53-A55 VanDerWaalsContact C-N 3.3Å; A55-L72 CarbonylContact O-C 3.55Å; A55-L72 WeakPolarHBondContact O-CA 3.19Å; A55-A73 PolarHBondContact O-N 2.71Å |
| 56 | I | 59.4 | Low | 53.9 | Low | 29 Ų | 29 | 87.4 Ų | 87.4 | 15% | 0.149 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 111.9 | -176.8 | -64.2 | 156.6 | 0 | 0 | 0 | 109 | L35 L38 S53 E54 V59 V70 L72 | L35-I56 HydrophobicContact CB-CD1 3.91Å; L35-I56 HydrophobicContact CD2-CD1 3.43Å; L35-I56 VanDerWaalsContact CD2-CD1 3.43Å; L35-I56 HydrophobicContact CD2-CG1 4.45Å; L35-I56 HydrophobicContact CG-CD1 4Å; L38-I56 HydrophobicContact CD1-CD1 4.4Å; S53-I56 PolarHBondContact O-N 2.79Å; E54-I56 VanDerWaalsContact C-N 3.28Å; I56-V59 HydrophobicContact CG2-CG2 3.95Å; I56-V70 HydrophobicContact CB-CG1 4.34Å; I56-V70 HydrophobicContact CG1-CG1 3.9Å; I56-V70 HydrophobicContact CG2-CG1 3.63Å; I56-L72 HydrophobicContact CB-CD2 4.49Å; I56-L72 HydrophobicContact CG1-CD2 3.67Å |
| 57 | L | 54.9 | Low | 53.9 | Low | 120 Ų | 120 | 84.3 Ų | 84.3 | 63% | 0.628 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -40.4 | 178.8 | -66.1 | 178.3 | 0 | 0 | 0 | 111.9 | V71 A73 | L57-V71 HydrophobicContact CB-CB 4.4Å; L57-V71 HydrophobicContact CB-CG1 4.2Å; L57-V71 HydrophobicContact CD1-CG1 4.28Å; L57-V71 PolarHBondContact N-O 2.8Å; L57-A73 HydrophobicContact CD1-CB 4.11Å; L57-A73 HydrophobicContact CD2-CB 3.91Å; L57-A73 HydrophobicContact CG-CB 3.88Å |
| 58 | S | 59 | Low | 54.2 | Low | 46 Ų | 46 | 83.4 Ų | 83.4 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 156.9 | 175.5 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | V70 V71 | S58-V70 WeakPolarHBondContact O-CA 3.41Å; S58-V71 PolarHBondContact N-O 3.12Å; S58-V71 PolarHBondContact O-N 3.09Å; S58-V71 WeakPolarHBondContact OG-CG2 3.49Å |
| 59 | V | 58.8 | Low | 54.5 | Low | 40 Ų | 40 | 83 Ų | 83 | 24% | 0.242 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.7 | 167.1 | -175.7 | 0 | 0 | 0 | 0 | 107.1 | L7 L35 I56 C68 C69 V70 | L7-V59 HydrophobicContact CD1-CG1 4.43Å; L35-V59 HydrophobicContact CD2-CG2 4.21Å; I56-V59 HydrophobicContact CG2-CG2 3.95Å; V59-C68 HydrophobicContact CG1-CB 4.48Å; V59-C69 CarbonylContact C-O 3.39Å; V59-C69 WeakPolarHBondContact CA-O 3.44Å; V59-V70 HydrophobicContact CG2-CG1 4.36Å; V59-V70 HydrophobicContact CG2-CG2 4.34Å |
| 60 | M | 53.4 | Low | 55 | Low | 108 Ų | 108 | 80.1 Ų | 80.1 | 53% | 0.532 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 140.1 | 175.3 | -63.8 | -177.7 | -69 | 0 | 0 | 108.7 | C68 C69 V71 | M60-C68 CarbonylContact O-C 3.24Å; M60-C68 VanDerWaalsContact O-C 3.24Å; M60-C68 WeakPolarHBondContact O-CA 3.11Å; M60-C68 WeakPolarHBondContact O-CB 3.36Å; M60-C69 HydrophobicContact CE-CB 4.42Å; M60-C69 PolarHBondContact N-O 3.36Å; M60-C69 PolarHBondContact O-N 2.89Å; M60-V71 HydrophobicContact CE-CG2 4.24Å |
| 61 | R | 55.5 | Low | 55.3 | Low | 155 Ų | 155 | 76.1 Ų | 76.1 | 59% | 0.585 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135 | 171.9 | 179.5 | 172.7 | 172.8 | 175.4 | -0.3 | 109.4 | ||
| 62 | H | 50.4 | Low | 55.4 | Low | 102 Ų | 102 | 74.5 Ų | 74.5 | 47% | 0.472 | 41% | 0.411 | S | S | . | . | trans | -91.2 | 111.5 | 171.7 | -160.9 | -73.1 | 0 | 0 | 0 | 108.5 | D64 T65 G66 V67 | H62-D64 VanDerWaalsContact C-N 3.26Å; H62-D64 IonicContact CE1-OD2 3.52Å; H62-D64 PolarHBondContact O-N 3.15Å; H62-T65 WeakPolarHBondContact CB-OG1 3.32Å; H62-T65 PolarHBondContact O-N 2.7Å; H62-G66 WeakPolarHBondContact O-CA 3.29Å; H62-G66 PolarHBondContact O-N 3.2Å; H62-V67 WeakPolarHBondContact CB-O 3.19Å; H62-V67 PolarHBondContact N-O 3.18Å | ||
| 63 | D | 63.1 | Low | 55.5 | Low | 141 Ų | 141 | 73.6 Ų | 73.6 | 75% | 0.754 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -39 | -172.2 | -69.9 | -31.5 | 0 | 0 | 0 | 112.5 | T65 | D63-T65 PolarHBondContact O-N 2.99Š|
| 64 | D | 59.8 | Low | 55.5 | Low | 147 Ų | 147 | 84.8 Ų | 84.8 | 79% | 0.786 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -25.2 | -175 | -58.6 | -38.6 | 0 | 0 | 0 | 114.2 | H62 | H62-D64 VanDerWaalsContact C-N 3.26Å; H62-D64 IonicContact CE1-OD2 3.52Å; H62-D64 PolarHBondContact O-N 3.15Å |
| 65 | T | 49.6 | Very low | 55.2 | Low | 90 Ų | 90 | 80.9 Ų | 80.9 | 55% | 0.552 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -15 | -172.7 | 61 | 0 | 0 | 0 | 0 | 112.8 | H62 D63 V67 | H62-T65 WeakPolarHBondContact CB-OG1 3.32Å; H62-T65 PolarHBondContact O-N 2.7Å; D63-T65 PolarHBondContact O-N 2.99Å; T65-V67 PolarHBondContact O-N 2.96Å; T65-V67 VanDerWaalsContact O-N 3.14Å; T65-V67 WeakPolarHBondContact OG1-CB 3.46Å; T65-V67 WeakPolarHBondContact OG1-CG2 3.45Å; T65-V67 PolarHBondContact OG1-N 3.43Å |
| 66 | G | 47.9 | Very low | 55 | Low | 26 Ų | 26 | 83.6 Ų | 83.6 | 27% | 0.268 | 45% | 0.45 | S | S | . | . | trans | 69.9 | -4.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H62 C68 | H62-G66 WeakPolarHBondContact O-CA 3.29Å; H62-G66 PolarHBondContact O-N 3.2Å; G66-C68 PolarHBondContact O-N 3.44Å | ||
| 67 | V | 50.5 | Low | 54.8 | Low | 40 Ų | 40 | 86.6 Ų | 86.6 | 24% | 0.242 | 47% | 0.466 | C | S | . | . | trans | -68.2 | 128.9 | 178.9 | 175.1 | 0 | 0 | 0 | 0 | 108.1 | F9 H62 T65 | F9-V67 HydrophobicContact CB-CG1 4.48Å; H62-V67 WeakPolarHBondContact CB-O 3.19Å; H62-V67 PolarHBondContact N-O 3.18Å; T65-V67 PolarHBondContact O-N 2.96Å; T65-V67 VanDerWaalsContact O-N 3.14Å; T65-V67 WeakPolarHBondContact OG1-CB 3.46Å; T65-V67 WeakPolarHBondContact OG1-CG2 3.45Å; T65-V67 PolarHBondContact OG1-N 3.43Å | ||
| 68 | C | 52.5 | Low | 54.8 | Low | 3 Ų | 3 | 84.6 Ų | 84.6 | 2% | 0.02 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 171 | 171.7 | -65 | 0 | 0 | 0 | 0 | 109.4 | L7 F9 V59 M60 G66 | L7-C68 HydrophobicContact CB-CB 4.4Å; L7-C68 HydrophobicContact CD2-CB 3.9Å; L7-C68 WeakPolarHBondContact CD2-SG 3.15Å; F9-C68 HydrophobicContact CD1-CB 3.64Å; F9-C68 WeakPolarHBondContact CD1-O 3.36Å; F9-C68 HydrophobicContact CD2-CB 4.47Å; F9-C68 VanDerWaalsContact CE1-CA 3.41Å; F9-C68 HydrophobicContact CE1-CB 3.03Å; F9-C68 WeakPolarHBondContact CE1-O 3.36Å; F9-C68 HydrophobicContact CE2-CB 4.08Å; F9-C68 HydrophobicContact CG-CB 4.25Å; F9-C68 HydrophobicContact CZ-CB 3.28Å; V59-C68 HydrophobicContact CG1-CB 4.48Å; M60-C68 CarbonylContact O-C 3.24Å; M60-C68 VanDerWaalsContact O-C 3.24Å; M60-C68 WeakPolarHBondContact O-CA 3.11Å; M60-C68 WeakPolarHBondContact O-CB 3.36Å; G66-C68 PolarHBondContact O-N 3.44Å |
| 69 | C | 54.4 | Low | 54.5 | Low | 68 Ų | 68 | 87.1 Ų | 87.1 | 46% | 0.459 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 131.8 | 170.5 | -73.1 | 0 | 0 | 0 | 0 | 106.9 | F9 V59 M60 | F9-C69 VanDerWaalsContact CE1-N 3.29Å; V59-C69 CarbonylContact C-O 3.39Å; V59-C69 WeakPolarHBondContact CA-O 3.44Å; M60-C69 HydrophobicContact CE-CB 4.42Å; M60-C69 PolarHBondContact N-O 3.36Å; M60-C69 PolarHBondContact O-N 2.89Å |
| 70 | V | 57.2 | Low | 54.2 | Low | 36 Ų | 36 | 90.2 Ų | 90.2 | 22% | 0.218 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.2 | 177.6 | -171.7 | 0 | 0 | 0 | 0 | 108.3 | F9 L35 L38 I56 S58 V59 L72 | F9-V70 HydrophobicContact CE1-CG2 3.53Å; F9-V70 HydrophobicContact CZ-CG2 3.57Å; L35-V70 HydrophobicContact CD2-CG2 4.46Å; L38-V70 HydrophobicContact CD1-CG1 4.44Å; L38-V70 HydrophobicContact CD1-CG2 4.28Å; L38-V70 HydrophobicContact CD2-CG2 4.42Å; I56-V70 HydrophobicContact CB-CG1 4.34Å; I56-V70 HydrophobicContact CG1-CG1 3.9Å; I56-V70 HydrophobicContact CG2-CG1 3.63Å; S58-V70 WeakPolarHBondContact O-CA 3.41Å; V59-V70 HydrophobicContact CG2-CG1 4.36Å; V59-V70 HydrophobicContact CG2-CG2 4.34Å; V70-L72 HydrophobicContact CG1-CD2 3.89Å |
| 71 | V | 53.5 | Low | 54.3 | Low | 60 Ų | 60 | 88.9 Ų | 88.9 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126.6 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | L57 S58 M60 | L57-V71 HydrophobicContact CB-CB 4.4Å; L57-V71 HydrophobicContact CB-CG1 4.2Å; L57-V71 HydrophobicContact CD1-CG1 4.28Å; L57-V71 PolarHBondContact N-O 2.8Å; S58-V71 PolarHBondContact N-O 3.12Å; S58-V71 PolarHBondContact O-N 3.09Å; S58-V71 WeakPolarHBondContact OG-CG2 3.49Å; M60-V71 HydrophobicContact CE-CG2 4.24Å |
| 72 | L | 54.5 | Low | 54.2 | Low | 62 Ų | 62 | 83.8 Ų | 83.8 | 33% | 0.325 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 151 | 179.4 | -56.8 | 177.4 | 0 | 0 | 0 | 111.9 | W51 A55 I56 V70 | W51-L72 HydrophobicContact CD2-CD1 3.84Å; W51-L72 HydrophobicContact CD2-CD2 4.12Å; W51-L72 HydrophobicContact CE3-CD1 3.72Å; W51-L72 HydrophobicContact CE3-CD2 3.54Å; W51-L72 HydrophobicContact CE3-CG 4.2Å; W51-L72 HydrophobicContact CH2-CD1 3.63Å; W51-L72 HydrophobicContact CZ2-CD1 3.72Å; W51-L72 HydrophobicContact CZ3-CD1 3.62Å; W51-L72 HydrophobicContact CZ3-CD2 3.89Å; W51-L72 HydrophobicContact CZ3-CG 4.16Å; A55-L72 CarbonylContact O-C 3.55Å; A55-L72 WeakPolarHBondContact O-CA 3.19Å; I56-L72 HydrophobicContact CB-CD2 4.49Å; I56-L72 HydrophobicContact CG1-CD2 3.67Å; V70-L72 HydrophobicContact CG1-CD2 3.89Å |
| 73 | A | 55.3 | Low | 54.5 | Low | 43 Ų | 43 | 82.3 Ų | 82.3 | 36% | 0.355 | 47% | 0.468 | S | S | . | . | trans | -77.8 | 127.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | A55 L57 | A55-A73 PolarHBondContact O-N 2.71Å; L57-A73 HydrophobicContact CD1-CB 4.11Å; L57-A73 HydrophobicContact CD2-CB 3.91Å; L57-A73 HydrophobicContact CG-CB 3.88Å | ||
| 74 | E | 55.7 | Low | 53.7 | Low | 272 Ų | 272 | 77 Ų | 77 | 100% | 1.271 | 44% | 0.442 | S | S | * | . | trans | -64.8 | 0 | 173.6 | -68.6 | -174.9 | 159.8 | 0 | 0 | 112.7 |
Retrieved 74 of 74 residues in 25.2 ms
(Link to these results)