| 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 | 27.8 | Very low | 21.5 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 72% | 0.719 | 66% | 0.664 | S | S | * | * | 0 | 169.6 | 0 | -54.1 | -172.2 | -151.7 | 0 | 0 | 107.8 | |||||
| 2 | R | 21 | Very low | 21.6 | Very low | 260 Ų | 260 | 125.8 Ų | 125.8 | 98% | 0.981 | 64% | 0.644 | S | S | * | * | cis | -54.8 | 149.1 | 7.6 | -60.2 | 175.4 | -178 | 171.8 | 0.1 | 113 | ||||
| 3 | G | 21.5 | Very low | 21.6 | Very low | 52 Ų | 52 | 117.6 Ų | 117.6 | 54% | 0.536 | 61% | 0.607 | S | S | . | * | S | Bend | cis | -165.5 | 177.5 | -6.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 4 | Q | 21.6 | Very low | 21.8 | Very low | 179 Ų | 179 | 109.4 Ų | 109.4 | 84% | 0.836 | 56% | 0.564 | S | S | * | * | trans | 59.1 | 63.7 | 168.6 | -61 | 176.8 | -12.1 | 0 | 0 | 116.4 | V6 | Q4-V6 HydrophobicContact CB-CG2 4.31Š| ||
| 5 | Y | 18.9 | Very low | 22.1 | Very low | 209 Ų | 209 | 104.1 Ų | 104.1 | 82% | 0.82 | 54% | 0.539 | S | S | * | . | trans | -80.1 | 102.7 | 132.4 | -95.7 | -81.1 | 0 | 0 | 0 | 107.7 | ||||
| 6 | V | 21.1 | Very low | 22.2 | Very low | 102 Ų | 102 | 97.8 Ų | 97.8 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | trans | -88.5 | 131 | 171.7 | 164.3 | 0 | 0 | 0 | 0 | 108.3 | Q4 | Q4-V6 HydrophobicContact CB-CG2 4.31Š| ||
| 7 | F | 20.6 | Very low | 22.3 | Very low | 119 Ų | 119 | 92.2 Ų | 92.2 | 52% | 0.522 | 48% | 0.478 | S | S | . | . | trans | 20.8 | 110.6 | 152.4 | -62.9 | -115.5 | 0 | 0 | 0 | 115.7 | S96 | F7-S96 WeakPolarHBondContact CD1-O 3.4Å; F7-S96 VanDerWaalsContact CE1-C 3.43Å; F7-S96 WeakPolarHBondContact CE1-O 3.28Å | ||
| 8 | A | 19 | Very low | 22.3 | Very low | 61 Ų | 61 | 88.1 Ų | 88.1 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | 54.1 | 108.9 | 74.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S96 | A8-S96 WeakPolarHBondContact CB-OG 3.4Š| |||
| 9 | T | 20.9 | Very low | 22.3 | Very low | 137 Ų | 137 | 88.6 Ų | 88.6 | 84% | 0.84 | 46% | 0.459 | S | S | * | . | trans | -136.9 | 107.9 | 158.5 | -39 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 10 | L | 21.6 | Very low | 22.3 | Very low | 55 Ų | 55 | 86.9 Ų | 86.9 | 29% | 0.288 | 45% | 0.453 | S | S | . | . | trans | -74.7 | 135 | 170.4 | -89.1 | 81.6 | 0 | 0 | 0 | 109.4 | Q85 | L10-Q85 HydrophobicContact CD2-CB 4.38Å; L10-Q85 HydrophobicContact CD2-CG 4.01Å | ||
| 11 | N | 22.6 | Very low | 22.3 | Very low | 119 Ų | 119 | 87.2 Ų | 87.2 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | trans | -175.4 | 151.7 | 146.8 | -91.6 | -30.3 | 0 | 0 | 0 | 106.6 | F86 | N11-F86 WeakPolarHBondContact O-CD1 3.3Š| ||
| 12 | V | 22.3 | Very low | 21.9 | Very low | 70 Ų | 70 | 89.7 Ų | 89.7 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | cis | -142 | 110.4 | 5.8 | 156.7 | 0 | 0 | 0 | 0 | 107.7 | V51 F86 | V12-V51 HydrophobicContact CG1-CG1 3.74Å; V12-V51 HydrophobicContact CG1-CG2 3.86Å; V12-F86 HydrophobicContact CG2-CE1 4.43Å; V12-F86 VanDerWaalsContact O-CD1 3.28Å; V12-F86 WeakPolarHBondContact O-CD1 3.42Å; V12-F86 WeakPolarHBondContact O-CD2 3.24Å; V12-F86 WeakPolarHBondContact O-CE1 3.04Å; V12-F86 WeakPolarHBondContact O-CE2 3.05Å; V12-F86 WeakPolarHBondContact O-CG 3.37Å; V12-F86 WeakPolarHBondContact O-CZ 3.43Å | ||
| 13 | A | 22.5 | Very low | 21.9 | Very low | 20 Ų | 20 | 85.5 Ų | 85.5 | 17% | 0.165 | 47% | 0.466 | C | S | . | . | trans | 13.9 | 138.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | V51 | A13-V51 HydrophobicContact CB-CB 4.48Å; A13-V51 HydrophobicContact CB-CG1 3.97Å; A13-V51 WeakPolarHBondContact O-CG2 3.01Å | ||
| 14 | F | 23.6 | Very low | 21.8 | Very low | 2 Ų | 2 | 89.2 Ų | 89.2 | 1% | 0.009 | 47% | 0.474 | C | S | . | . | 81.3 | 175.3 | 128.6 | -71.5 | -142.9 | 0 | 0 | 0 | 122.6 | Y48 M50 V51 N52 T58 F59 L60 F84 | F14-Y48 CarbonylContact O-C 3.6Å; F14-M50 WeakPolarHBondContact CA-SD 3.03Å; F14-M50 VanDerWaalsContact CB-CA 3.41Å; F14-M50 HydrophobicContact CB-CB 3.83Å; F14-M50 HydrophobicContact CB-CE 4.38Å; F14-M50 HydrophobicContact CB-CG 3.81Å; F14-M50 HydrophobicContact CB-SD 3.12Å; F14-M50 WeakPolarHBondContact CB-SD 3.46Å; F14-M50 VanDerWaalsContact CD1-C 3.43Å; F14-M50 HydrophobicContact CD1-CB 4.03Å; F14-M50 HydrophobicContact CD1-CG 3.95Å; F14-M50 WeakPolarHBondContact CD1-O 3.26Å; F14-M50 HydrophobicContact CD1-SD 3.06Å; F14-M50 WeakPolarHBondContact CD1-SD 3.44Å; F14-M50 HydrophobicContact CD2-SD 4.15Å; F14-M50 HydrophobicContact CE1-SD 4.11Å; F14-M50 HydrophobicContact CG-CB 4.45Å; F14-M50 HydrophobicContact CG-CG 4.25Å; F14-M50 HydrophobicContact CG-SD 3.14Å; F14-M50 WeakPolarHBondContact CG-SD 3.03Å; F14-M50 PolarHBondContact O-N 2.94Å; F14-V51 VanDerWaalsContact CB-N 3.28Å; F14-N52 HydrophobicContact CD1-CB 4.2Å; F14-N52 VanDerWaalsContact CD1-N 3.32Å; F14-N52 HydrophobicContact CE1-CB 3.24Å; F14-N52 HydrophobicContact CZ-CB 3.68Å; F14-T58 VanDerWaalsContact CE2-O 3.22Å; F14-T58 WeakPolarHBondContact CE2-O 3.06Å; F14-T58 WeakPolarHBondContact CZ-O 3.32Å; F14-F59 VanDerWaalsContact CE1-CA 3.45Å; F14-F59 HydrophobicContact CE1-CB 4.41Å; F14-F59 HydrophobicContact CE2-CB 4.44Å; F14-F59 HydrophobicContact CZ-CB 4.42Å; F14-L60 HydrophobicContact CD1-CB 4.09Å; F14-L60 HydrophobicContact CE1-CB 4.24Å; F14-L60 HydrophobicContact CE1-CD1 4.47Å; F14-L60 HydrophobicContact CE1-CG 4.29Å; F14-L60 VanDerWaalsContact CE1-N 3.33Å; F14-F84 AromaticContact CD2-CD1 3.32Å; F14-F84 HydrophobicContact CD2-CD1 3.32Å; F14-F84 AromaticContact CD2-CE1 3.56Å; F14-F84 HydrophobicContact CD2-CE1 3.56Å; F14-F84 AromaticContact CD2-CG 3.96Å; F14-F84 HydrophobicContact CD2-CG 3.96Å; F14-F84 HydrophobicContact CD2-CZ 4.33Å; F14-F84 HydrophobicContact CE2-CB 4Å; F14-F84 AromaticContact CE2-CD1 3.66Å; F14-F84 HydrophobicContact CE2-CD1 3.66Å; F14-F84 HydrophobicContact CE2-CE1 4.34Å; F14-F84 AromaticContact CE2-CG 3.91Å; F14-F84 HydrophobicContact CE2-CG 3.91Å; F14-F84 HydrophobicContact CG-CD1 4.45Å; F14-F84 HydrophobicContact CG-CE1 4.33Å | |||
| 15 | V | 26.3 | Very low | 21.7 | Very low | 31 Ų | 31 | 85.7 Ų | 85.7 | 19% | 0.188 | 47% | 0.469 | C | S | . | . | trans | -139.7 | 81.5 | -170.7 | 173.8 | 0 | 0 | 0 | 0 | 120.8 | G17 D46 Q47 M50 W73 | V15-G17 PolarHBondContact O-N 2.87Å; V15-D46 CarbonylContact C-O 3.54Å; V15-Q47 HydrophobicContact CG1-CB 4.4Å; V15-Q47 WeakPolarHBondContact CG1-O 3.19Å; V15-Q47 WeakPolarHBondContact CG2-O 3.37Å; V15-M50 VanDerWaalsContact C-CA 3.49Å; V15-M50 VanDerWaalsContact CA-CG 3.4Å; V15-M50 HydrophobicContact CB-CE 3.76Å; V15-M50 HydrophobicContact CB-CG 3.9Å; V15-M50 HydrophobicContact CB-SD 4.42Å; V15-M50 HydrophobicContact CG2-CE 4.17Å; V15-M50 PolarHBondContact N-SD 3.05Å; V15-M50 VanDerWaalsContact O-CB 3.29Å; V15-M50 WeakPolarHBondContact O-CB 3.47Å; V15-M50 WeakPolarHBondContact O-CG 3.48Å; V15-W73 WeakPolarHBondContact O-CH2 3.41Å; V15-W73 WeakPolarHBondContact O-CZ2 3.31Å | ||
| 16 | L | 23.8 | Very low | 21.7 | Very low | 3 Ų | 3 | 84.8 Ų | 84.8 | 2% | 0.016 | 47% | 0.469 | C | S | . | . | trans | -99.9 | 68.2 | -162 | -113.7 | 163.2 | 0 | 0 | 0 | 116.1 | P35 D46 L49 M50 W73 | L16-P35 HydrophobicContact CD1-CB 4.04Å; L16-P35 HydrophobicContact CD1-CG 4.19Å; L16-P35 WeakPolarHBondContact CD1-O 3.47Å; L16-P35 HydrophobicContact CD2-CB 3.78Å; L16-P35 HydrophobicContact CD2-CG 4.33Å; L16-P35 HydrophobicContact CG-CB 4.43Å; L16-D46 CarbonylContact C-O 3.51Å; L16-D46 PolarHBondContact N-O 3.05Å; L16-D46 VanDerWaalsContact O-CB 3.26Å; L16-D46 WeakPolarHBondContact O-CB 3.04Å; L16-L49 VanDerWaalsContact CB-C 3.49Å; L16-L49 HydrophobicContact CB-CB 3.73Å; L16-L49 VanDerWaalsContact N-CA 3.3Å; L16-M50 HydrophobicContact CB-CB 3.66Å; L16-M50 HydrophobicContact CD1-CB 4.32Å; L16-M50 HydrophobicContact CG-CB 3.52Å; L16-W73 HydrophobicContact CD2-CD2 3.91Å; L16-W73 HydrophobicContact CD2-CG 3.66Å | ||
| 17 | G | 23.8 | Very low | 21.5 | Very low | 3 Ų | 3 | 84.7 Ų | 84.7 | 3% | 0.031 | 47% | 0.473 | C | S | . | . | trans | -43 | 142.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 118 | V15 E40 C41 N42 D46 W73 | V15-G17 PolarHBondContact O-N 2.87Å; G17-E40 CarbonylContact O-C 3.52Å; G17-C41 CarbonylContact O-C 3.5Å; G17-C41 WeakPolarHBondContact O-CA 3.04Å; G17-C41 PolarHBondContact O-N 3.45Å; G17-N42 WeakPolarHBondContact CA-O 3.47Å; G17-N42 PolarHBondContact O-N 2.81Å; G17-D46 VanDerWaalsContact C-OD1 3.3Å; G17-D46 WeakPolarHBondContact CA-OD1 3.44Å; G17-D46 PolarHBondContact N-O 3.35Å; G17-D46 VanDerWaalsContact N-O 3.08Å; G17-W73 PolarHBondContact O-NE1 3.49Å | ||
| 18 | H | 22.6 | Very low | 21.5 | Very low | 17 Ų | 17 | 88 Ų | 88 | 8% | 0.079 | 49% | 0.49 | C | S | . | . | -166.1 | -178.8 | 125.1 | -148.4 | -104 | 0 | 0 | 0 | 112.8 | E40 C41 N42 T45 D46 I70 G71 | H18-E40 HydrophobicContact CB-CB 3.73Å; H18-E40 WeakPolarHBondContact CB-O 3.4Å; H18-E40 WeakPolarHBondContact CD2-CA 3.28Å; H18-E40 WeakPolarHBondContact CD2-CB 3.1Å; H18-E40 VanDerWaalsContact CE1-CG 3.43Å; H18-E40 WeakPolarHBondContact CE1-CG 3.42Å; H18-E40 IonicContact CE1-OE1 3.52Å; H18-E40 PolarHBondContact CE1-OE1 2.74Å; H18-E40 IonicContact CE1-OE2 2.71Å; H18-E40 PolarHBondContact CE1-OE2 2.85Å; H18-E40 IonicContact CG-OE2 3.18Å; H18-E40 IonicContact ND1-OE1 3.05Å; H18-E40 IonicContact ND1-OE2 3.32Å; H18-E40 PolarHBondContact ND1-OE2 2.91Å; H18-E40 WeakPolarHBondContact NE2-CG 3.41Å; H18-E40 IonicContact NE2-OE1 3.62Å; H18-E40 IonicContact NE2-OE2 2.7Å; H18-C41 WeakPolarHBondContact CD2-CA 3.43Å; H18-C41 PolarHBondContact CD2-N 2.03Å; H18-C41 PolarHBondContact CD2-O 3.4Å; H18-C41 PolarHBondContact NE2-O 3.11Å; H18-N42 VanDerWaalsContact C-CB 3.46Å; H18-N42 VanDerWaalsContact CA-N 3.31Å; H18-N42 HydrophobicContact CB-CB 4.35Å; H18-T45 PolarHBondContact O-OG1 3.2Å; H18-T45 VanDerWaalsContact O-OG1 3.09Å; H18-D46 PolarHBondContact N-OD1 2.04Å; H18-I70 WeakPolarHBondContact CE1-CG1 3.22Å; H18-I70 WeakPolarHBondContact NE2-CA 3.45Å; H18-I70 WeakPolarHBondContact NE2-CG2 3.38Å; H18-G71 PolarHBondContact NE2-N 2.81Å; H18-G71 PolarHBondContact NE2-O 3.37Å | |||
| 19 | L | 21.4 | Very low | 21.7 | Very low | 98 Ų | 98 | 92 Ų | 92 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | trans | 40.3 | 101.5 | 165.7 | -62.9 | -177.2 | 0 | 0 | 0 | 115.8 | E40 I70 | L19-E40 VanDerWaalsContact CD2-OE2 3.32Å; L19-E40 WeakPolarHBondContact CD2-OE2 3.02Å; L19-E40 WeakPolarHBondContact CG-OE2 3.06Å; L19-I70 HydrophobicContact CD2-CD1 4.39Å | ||
| 20 | T | 23 | Very low | 21.7 | Very low | 55 Ų | 55 | 93.4 Ų | 93.4 | 34% | 0.337 | 49% | 0.493 | S | S | . | . | 46.9 | 126.1 | 68.8 | 81.7 | 0 | 0 | 0 | 0 | 116.7 | I69 I70 | T20-I69 HydrophobicContact CG2-CD1 4.15Å; T20-I69 HydrophobicContact CG2-CG1 4.02Å; T20-I70 HydrophobicContact CG2-CD1 3.88Å; T20-I70 HydrophobicContact CG2-CG1 3.81Å | |||
| 21 | A | 21.7 | Very low | 21.7 | Very low | 93 Ų | 93 | 95.6 Ų | 95.6 | 77% | 0.769 | 52% | 0.519 | S | S | * | . | trans | 101.2 | 132.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 22 | K | 20.7 | Very low | 21.6 | Very low | 199 Ų | 199 | 97.5 Ų | 97.5 | 87% | 0.865 | 53% | 0.528 | S | S | * | . | trans | 66.5 | 108.7 | 156.9 | -70.6 | -173.8 | 175.3 | -175.9 | 0 | 121.2 | ||||
| 23 | H | 20.7 | Very low | 21.7 | Very low | 172 Ų | 172 | 105.7 Ų | 105.7 | 80% | 0.796 | 55% | 0.552 | S | S | * | * | 37.7 | 131.9 | 114.7 | -98.6 | -95.5 | 0 | 0 | 0 | 121.9 | |||||
| 24 | D | 19.3 | Very low | 22.1 | Very low | 130 Ų | 130 | 109 Ų | 109 | 70% | 0.695 | 57% | 0.574 | S | S | * | * | trans | 73.8 | 109.3 | 145.4 | -76.6 | -49.7 | 0 | 0 | 0 | 123 | ||||
| 25 | S | 18.6 | Very low | 23 | Very low | 104 Ų | 104 | 111.3 Ų | 111.3 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | 86.4 | 133.6 | 130 | 80.5 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 26 | K | 18.9 | Very low | 24.4 | Very low | 190 Ų | 190 | 115.1 Ų | 115.1 | 83% | 0.826 | 61% | 0.607 | S | S | * | * | trans | 61.9 | 103.2 | 149 | -72.5 | -174.4 | 176.1 | -177.6 | 0 | 121.1 | ||||
| 27 | S | 18.6 | Very low | 25.7 | Very low | 101 Ų | 101 | 118 Ų | 118 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | 60.6 | 117.6 | 125.2 | 61.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 28 | E | 19.5 | Very low | 27.6 | Very low | 188 Ų | 188 | 120.5 Ų | 120.5 | 88% | 0.879 | 65% | 0.651 | S | S | * | * | trans | 85.6 | 158.3 | 143.3 | -63.7 | -175.6 | 147.4 | 0 | 0 | 121.3 | ||||
| 29 | E | 23.1 | Very low | 29.4 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 67% | 0.673 | 67% | 0.666 | S | S | * | * | trans | 73.7 | 97.7 | 172.7 | -60.8 | -86.6 | 80.1 | 0 | 0 | 120.8 | ||||
| 30 | K | 21 | Very low | 31.1 | Very low | 168 Ų | 168 | 122.1 Ų | 122.1 | 73% | 0.73 | 66% | 0.659 | S | S | * | * | 53.1 | 98.2 | 128.9 | -60.4 | 165.8 | -174 | 143.3 | 0 | 122 | |||||
| 31 | A | 21.2 | Very low | 32.8 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 83% | 0.826 | 64% | 0.643 | S | S | * | * | trans | 51.3 | 112.8 | 132.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 32 | L | 21.7 | Very low | 34.5 | Very low | 160 Ų | 160 | 115.3 Ų | 115.3 | 84% | 0.838 | 61% | 0.607 | S | S | * | * | trans | -151.5 | 123.3 | 169.4 | -155.3 | 77.2 | 0 | 0 | 0 | 114 | ||||
| 33 | W | 24 | Very low | 36.4 | Very low | 241 Ų | 241 | 110.4 Ų | 110.4 | 91% | 0.913 | 59% | 0.589 | S | S | * | * | trans | 36.6 | 169.1 | 148.4 | -66 | 76.8 | 0 | 0 | 0 | 124.4 | ||||
| 34 | S | 31.4 | Very low | 37.6 | Very low | 90 Ų | 90 | 107.5 Ų | 107.5 | 63% | 0.629 | 58% | 0.578 | S | S | * | * | trans | -126.9 | 153.5 | -176.4 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 35 | P | 42.5 | Very low | 39 | Very low | 50 Ų | 50 | 105.2 Ų | 105.2 | 33% | 0.325 | 57% | 0.569 | S | S | . | * | trans | -82.2 | 167.3 | -172.5 | -6.9 | 23.6 | 0 | 0 | 0 | 116.1 | L16 D39 | L16-P35 HydrophobicContact CD1-CB 4.04Å; L16-P35 HydrophobicContact CD1-CG 4.19Å; L16-P35 WeakPolarHBondContact CD1-O 3.47Å; L16-P35 HydrophobicContact CD2-CB 3.78Å; L16-P35 HydrophobicContact CD2-CG 4.33Å; L16-P35 HydrophobicContact CG-CB 4.43Å; P35-D39 WeakPolarHBondContact CA-OD2 3.22Å; P35-D39 WeakPolarHBondContact CB-OD2 3.43Å | ||
| 36 | I | 54.5 | Low | 40.5 | Very low | 112 Ų | 112 | 102 Ų | 102 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | trans | -133.1 | 146.5 | -166.8 | -60.8 | 177.9 | 0 | 0 | 0 | 111.5 | G38 D39 | I36-G38 PolarHBondContact O-N 2.92Å; I36-D39 PolarHBondContact N-OD2 3Å; I36-D39 WeakPolarHBondContact O-CB 3.37Å; I36-D39 VanDerWaalsContact O-CG 3.26Å; I36-D39 PolarHBondContact O-N 2.98Å | ||
| 37 | P | 50.9 | Low | 41.7 | Very low | 63 Ų | 63 | 97.9 Ų | 97.9 | 41% | 0.409 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 123.2 | 168.8 | 10.2 | -22.2 | 0 | 0 | 0 | 113.3 | L60 | P37-L60 HydrophobicContact CB-CD2 3.66Å; P37-L60 HydrophobicContact CG-CD1 4.33Å; P37-L60 HydrophobicContact CG-CD2 4.17Å |
| 38 | G | 63.5 | Low | 43.3 | Very low | 55 Ų | 55 | 101.9 Ų | 101.9 | 57% | 0.567 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114 | -28.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I36 E40 W73 | I36-G38 PolarHBondContact O-N 2.92Å; G38-E40 PolarHBondContact O-N 3.42Å; G38-W73 PolarHBondContact N-O 2.78Å |
| 39 | D | 61.1 | Low | 44.8 | Very low | 72 Ų | 72 | 96.5 Ų | 96.5 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -61.1 | 126.3 | 149.8 | -52.4 | -26.1 | 0 | 0 | 0 | 106.8 | P35 I36 W73 | P35-D39 WeakPolarHBondContact CA-OD2 3.22Å; P35-D39 WeakPolarHBondContact CB-OD2 3.43Å; I36-D39 PolarHBondContact N-OD2 3Å; I36-D39 WeakPolarHBondContact O-CB 3.37Å; I36-D39 VanDerWaalsContact O-CG 3.26Å; I36-D39 PolarHBondContact O-N 2.98Å; D39-W73 WeakPolarHBondContact O-CB 3.49Å; D39-W73 PolarHBondContact O-N 3.28Å |
| 40 | E | 57 | Low | 46.2 | Very low | 78 Ų | 78 | 90.4 Ų | 90.4 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | 18.1 | 119.8 | 107.8 | -75.7 | -152.4 | 162 | 0 | 0 | 116.2 | G17 H18 L19 G38 G71 W73 | G17-E40 CarbonylContact O-C 3.52Å; H18-E40 HydrophobicContact CB-CB 3.73Å; H18-E40 WeakPolarHBondContact CB-O 3.4Å; H18-E40 WeakPolarHBondContact CD2-CA 3.28Å; H18-E40 WeakPolarHBondContact CD2-CB 3.1Å; H18-E40 VanDerWaalsContact CE1-CG 3.43Å; H18-E40 WeakPolarHBondContact CE1-CG 3.42Å; H18-E40 IonicContact CE1-OE1 3.52Å; H18-E40 PolarHBondContact CE1-OE1 2.74Å; H18-E40 IonicContact CE1-OE2 2.71Å; H18-E40 PolarHBondContact CE1-OE2 2.85Å; H18-E40 IonicContact CG-OE2 3.18Å; H18-E40 IonicContact ND1-OE1 3.05Å; H18-E40 IonicContact ND1-OE2 3.32Å; H18-E40 PolarHBondContact ND1-OE2 2.91Å; H18-E40 WeakPolarHBondContact NE2-CG 3.41Å; H18-E40 IonicContact NE2-OE1 3.62Å; H18-E40 IonicContact NE2-OE2 2.7Å; L19-E40 VanDerWaalsContact CD2-OE2 3.32Å; L19-E40 WeakPolarHBondContact CD2-OE2 3.02Å; L19-E40 WeakPolarHBondContact CG-OE2 3.06Å; G38-E40 PolarHBondContact O-N 3.42Å; E40-G71 VanDerWaalsContact CA-O 3.26Å; E40-G71 WeakPolarHBondContact CA-O 3.33Å; E40-W73 PolarHBondContact O-NE1 2.88Å | |||
| 41 | C | 59 | Low | 47.5 | Very low | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.007 | 46% | 0.456 | C | S | . | . | cis | 84.9 | 77.6 | -0.9 | 170.1 | 0 | 0 | 0 | 0 | 125.2 | G17 H18 C62 S63 I70 G71 V72 W73 | G17-C41 CarbonylContact O-C 3.5Å; G17-C41 WeakPolarHBondContact O-CA 3.04Å; G17-C41 PolarHBondContact O-N 3.45Å; H18-C41 WeakPolarHBondContact CD2-CA 3.43Å; H18-C41 PolarHBondContact CD2-N 2.03Å; H18-C41 PolarHBondContact CD2-O 3.4Å; H18-C41 PolarHBondContact NE2-O 3.11Å; C41-C62 WeakPolarHBondContact CA-SG 3.07Å; C41-C62 HydrophobicContact CB-CB 3.99Å; C41-C62 WeakPolarHBondContact CB-SG 3.19Å; C41-C62 PolarHBondContact O-SG 2.87Å; C41-C62 VanDerWaalsContact O-SG 3.36Å; C41-C62 WeakPolarHBondContact SG-CA 3.45Å; C41-C62 WeakPolarHBondContact SG-CB 3.04Å; C41-C62 CovalentContact SG-SG 2.04Å; C41-C62 PolarHBondContact SG-SG 2.83Å; C41-S63 PolarHBondContact SG-N 3.03Å; C41-I70 CarbonylContact O-C 3.58Å; C41-G71 VanDerWaalsContact CB-C 3.5Å; C41-G71 PolarHBondContact O-N 3.14Å; C41-G71 WeakPolarHBondContact SG-CA 3.49Å; C41-V72 VanDerWaalsContact CB-N 3.27Å; C41-V72 PolarHBondContact SG-N 2.87Å; C41-V72 VanDerWaalsContact SG-N 3.42Å; C41-W73 HydrophobicContact CB-CD2 4.18Å; C41-W73 HydrophobicContact CB-CG 4.17Å; C41-W73 HydrophobicContact CB-CZ2 4.13Å | ||
| 42 | N | 57.3 | Low | 49.1 | Very low | 4 Ų | 4 | 81.1 Ų | 81.1 | 2% | 0.021 | 42% | 0.423 | C | S | . | . | trans | -125.1 | 125.9 | 167.8 | 177.7 | -8.5 | 0 | 0 | 0 | 110.9 | G17 H18 L44 T45 I69 | G17-N42 WeakPolarHBondContact CA-O 3.47Å; G17-N42 PolarHBondContact O-N 2.81Å; H18-N42 VanDerWaalsContact C-CB 3.46Å; H18-N42 VanDerWaalsContact CA-N 3.31Å; H18-N42 HydrophobicContact CB-CB 4.35Å; N42-L44 VanDerWaalsContact C-N 3.26Å; N42-L44 PolarHBondContact O-N 3.12Å; N42-L44 PolarHBondContact OD1-N 3.18Å; N42-T45 PolarHBondContact ND2-OG1 2.77Å; N42-I69 VanDerWaalsContact CA-O 3.26Å; N42-I69 WeakPolarHBondContact CA-O 3.39Å; N42-I69 WeakPolarHBondContact CB-O 3.48Å; N42-I69 PolarHBondContact OD1-O 2.92Å; N42-I69 VanDerWaalsContact OD1-O 3.12Å | ||
| 43 | M | 60.2 | Low | 50.3 | Low | 96 Ų | 96 | 78.3 Ų | 78.3 | 47% | 0.473 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -0 | -170.5 | -57.8 | -178.8 | -68.5 | 0 | 0 | 114.6 | Q47 C62 | M43-Q47 WeakPolarHBondContact O-CG 3.39Å; M43-Q47 PolarHBondContact O-NE2 2.91Å; M43-C62 HydrophobicContact CG-CB 4Å; M43-C62 WeakPolarHBondContact CG-SG 3.31Å |
| 44 | L | 45.7 | Very low | 51.5 | Low | 110 Ų | 110 | 75.4 Ų | 75.4 | 58% | 0.576 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -56 | 179.4 | -71.9 | 176.6 | 0 | 0 | 0 | 114.3 | N42 I69 | N42-L44 VanDerWaalsContact C-N 3.26Å; N42-L44 PolarHBondContact O-N 3.12Å; N42-L44 PolarHBondContact OD1-N 3.18Å; L44-I69 HydrophobicContact CD1-CD1 3.91Å; L44-I69 HydrophobicContact CD1-CG2 4.26Å |
| 45 | T | 49.1 | Very low | 52.5 | Low | 83 Ų | 83 | 74.4 Ų | 74.4 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -50 | -168.9 | 31 | 0 | 0 | 0 | 0 | 112.2 | H18 N42 | H18-T45 PolarHBondContact O-OG1 3.2Å; H18-T45 VanDerWaalsContact O-OG1 3.09Å; N42-T45 PolarHBondContact ND2-OG1 2.77Å |
| 46 | D | 51.1 | Low | 53.1 | Low | 37 Ų | 37 | 77.2 Ų | 77.2 | 20% | 0.198 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 60.7 | -169 | 2.6 | 19 | 0 | 0 | 0 | 111 | V15 L16 G17 H18 Y48 L49 | V15-D46 CarbonylContact C-O 3.54Å; L16-D46 CarbonylContact C-O 3.51Å; L16-D46 PolarHBondContact N-O 3.05Å; L16-D46 VanDerWaalsContact O-CB 3.26Å; L16-D46 WeakPolarHBondContact O-CB 3.04Å; G17-D46 VanDerWaalsContact C-OD1 3.3Å; G17-D46 WeakPolarHBondContact CA-OD1 3.44Å; G17-D46 PolarHBondContact N-O 3.35Å; G17-D46 VanDerWaalsContact N-O 3.08Å; H18-D46 PolarHBondContact N-OD1 2.04Å; D46-Y48 PolarHBondContact O-N 3.33Å; D46-L49 HydrophobicContact CB-CB 4.32Å; D46-L49 HydrophobicContact CB-CD1 4.49Å |
| 47 | Q | 43.3 | Very low | 53.3 | Low | 102 Ų | 102 | 76.4 Ų | 76.4 | 48% | 0.477 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 17.1 | 163.2 | -66.6 | -168.4 | -4.9 | 0 | 0 | 113.9 | V15 M43 | V15-Q47 HydrophobicContact CG1-CB 4.4Å; V15-Q47 WeakPolarHBondContact CG1-O 3.19Å; V15-Q47 WeakPolarHBondContact CG2-O 3.37Å; M43-Q47 WeakPolarHBondContact O-CG 3.39Å; M43-Q47 PolarHBondContact O-NE2 2.91Å |
| 48 | Y | 51.9 | Low | 53.4 | Low | 185 Ų | 185 | 74.2 Ų | 74.2 | 73% | 0.725 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.6 | -0.2 | -165.4 | -66.1 | -71.2 | 0 | 0 | 0 | 118.9 | F14 D46 | F14-Y48 CarbonylContact O-C 3.6Å; D46-Y48 PolarHBondContact O-N 3.33Å |
| 49 | L | 51.6 | Low | 53.6 | Low | 76 Ų | 76 | 73.8 Ų | 73.8 | 40% | 0.398 | 38% | 0.375 | S | S | . | . | trans | -119.8 | -4 | -160.9 | -124.1 | 176.6 | 0 | 0 | 0 | 120.1 | L16 D46 V51 | L16-L49 VanDerWaalsContact CB-C 3.49Å; L16-L49 HydrophobicContact CB-CB 3.73Å; L16-L49 VanDerWaalsContact N-CA 3.3Å; D46-L49 HydrophobicContact CB-CB 4.32Å; D46-L49 HydrophobicContact CB-CD1 4.49Å; L49-V51 PolarHBondContact O-N 2.81Å | ||
| 50 | M | 51.5 | Low | 54.1 | Low | 16 Ų | 16 | 70.4 Ų | 70.4 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | trans | -66.7 | 3.9 | -150.6 | 60 | 49.9 | -156.8 | 0 | 0 | 119.3 | F14 V15 L16 N52 F59 L60 W73 F84 | F14-M50 WeakPolarHBondContact CA-SD 3.03Å; F14-M50 VanDerWaalsContact CB-CA 3.41Å; F14-M50 HydrophobicContact CB-CB 3.83Å; F14-M50 HydrophobicContact CB-CE 4.38Å; F14-M50 HydrophobicContact CB-CG 3.81Å; F14-M50 HydrophobicContact CB-SD 3.12Å; F14-M50 WeakPolarHBondContact CB-SD 3.46Å; F14-M50 VanDerWaalsContact CD1-C 3.43Å; F14-M50 HydrophobicContact CD1-CB 4.03Å; F14-M50 HydrophobicContact CD1-CG 3.95Å; F14-M50 WeakPolarHBondContact CD1-O 3.26Å; F14-M50 HydrophobicContact CD1-SD 3.06Å; F14-M50 WeakPolarHBondContact CD1-SD 3.44Å; F14-M50 HydrophobicContact CD2-SD 4.15Å; F14-M50 HydrophobicContact CE1-SD 4.11Å; F14-M50 HydrophobicContact CG-CB 4.45Å; F14-M50 HydrophobicContact CG-CG 4.25Å; F14-M50 HydrophobicContact CG-SD 3.14Å; F14-M50 WeakPolarHBondContact CG-SD 3.03Å; F14-M50 PolarHBondContact O-N 2.94Å; V15-M50 VanDerWaalsContact C-CA 3.49Å; V15-M50 VanDerWaalsContact CA-CG 3.4Å; V15-M50 HydrophobicContact CB-CE 3.76Å; V15-M50 HydrophobicContact CB-CG 3.9Å; V15-M50 HydrophobicContact CB-SD 4.42Å; V15-M50 HydrophobicContact CG2-CE 4.17Å; V15-M50 PolarHBondContact N-SD 3.05Å; V15-M50 VanDerWaalsContact O-CB 3.29Å; V15-M50 WeakPolarHBondContact O-CB 3.47Å; V15-M50 WeakPolarHBondContact O-CG 3.48Å; L16-M50 HydrophobicContact CB-CB 3.66Å; L16-M50 HydrophobicContact CD1-CB 4.32Å; L16-M50 HydrophobicContact CG-CB 3.52Å; M50-N52 PolarHBondContact O-N 3.39Å; M50-F59 HydrophobicContact CE-CB 4.36Å; M50-F59 HydrophobicContact CE-CD2 4.13Å; M50-F59 HydrophobicContact SD-CB 4.26Å; M50-L60 HydrophobicContact CB-CB 3.77Å; M50-L60 WeakPolarHBondContact CE-O 3.46Å; M50-L60 HydrophobicContact CG-CB 3.63Å; M50-L60 VanDerWaalsContact CG-O 3.23Å; M50-L60 WeakPolarHBondContact CG-O 3.19Å; M50-L60 VanDerWaalsContact O-CD1 3.29Å; M50-L60 WeakPolarHBondContact O-CD1 3.34Å; M50-L60 HydrophobicContact SD-CB 3.97Å; M50-L60 PolarHBondContact SD-N 2.95Å; M50-W73 HydrophobicContact CB-CE3 4.44Å; M50-W73 HydrophobicContact CB-CZ3 4.18Å; M50-W73 HydrophobicContact CG-CE3 4.22Å; M50-W73 HydrophobicContact CG-CH2 4.15Å; M50-W73 HydrophobicContact CG-CZ3 3.62Å; M50-F84 HydrophobicContact CE-CZ 4.31Å | ||
| 51 | V | 49.5 | Very low | 54.7 | Low | 48 Ų | 48 | 70.7 Ų | 70.7 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | trans | -35.6 | 94.2 | -167.4 | -160.5 | 0 | 0 | 0 | 0 | 113.3 | V12 A13 F14 L49 S53 | V12-V51 HydrophobicContact CG1-CG1 3.74Å; V12-V51 HydrophobicContact CG1-CG2 3.86Å; A13-V51 HydrophobicContact CB-CB 4.48Å; A13-V51 HydrophobicContact CB-CG1 3.97Å; A13-V51 WeakPolarHBondContact O-CG2 3.01Å; F14-V51 VanDerWaalsContact CB-N 3.28Å; L49-V51 PolarHBondContact O-N 2.81Å; V51-S53 PolarHBondContact O-N 3.08Å | ||
| 52 | N | 54.5 | Low | 54.9 | Low | 24 Ų | 24 | 71.5 Ų | 71.5 | 13% | 0.128 | 36% | 0.364 | C | S | . | . | trans | -75.3 | 80.3 | 157.8 | -171.3 | 3.1 | 0 | 0 | 0 | 105.3 | F14 M50 E54 N55 T58 L60 | F14-N52 HydrophobicContact CD1-CB 4.2Å; F14-N52 VanDerWaalsContact CD1-N 3.32Å; F14-N52 HydrophobicContact CE1-CB 3.24Å; F14-N52 HydrophobicContact CZ-CB 3.68Å; M50-N52 PolarHBondContact O-N 3.39Å; N52-E54 PolarHBondContact O-N 2.94Å; N52-E54 PolarHBondContact OD1-N 3.42Å; N52-N55 PolarHBondContact O-N 2.83Å; N52-T58 PolarHBondContact ND2-OG1 2.85Å; N52-L60 HydrophobicContact CB-CD1 3.74Å; N52-L60 HydrophobicContact CB-CG 4.24Å | ||
| 53 | S | 46.5 | Very low | 54.9 | Low | 102 Ų | 102 | 72.7 Ų | 72.7 | 71% | 0.713 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.4 | -179.6 | 46 | 0 | 0 | 0 | 0 | 111.9 | V51 | V51-S53 PolarHBondContact O-N 3.08Š|
| 54 | E | 49.4 | Very low | 54.7 | Low | 180 Ų | 180 | 72.2 Ų | 72.2 | 84% | 0.841 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -19.2 | 179.4 | -50.4 | -163.6 | 150.7 | 0 | 0 | 114.2 | N52 | N52-E54 PolarHBondContact O-N 2.94Å; N52-E54 PolarHBondContact OD1-N 3.42Å |
| 55 | N | 51.7 | Low | 54.8 | Low | 69 Ų | 69 | 69.1 Ų | 69.1 | 37% | 0.369 | 37% | 0.366 | S | S | . | . | trans | -152.6 | 100.3 | -176.5 | -165 | -16.4 | 0 | 0 | 0 | 116.3 | N52 N57 T58 | N52-N55 PolarHBondContact O-N 2.83Å; N55-N57 VanDerWaalsContact C-N 3.26Å; N55-N57 PolarHBondContact O-N 2.93Å; N55-N57 WeakPolarHBondContact OD1-CB 3.4Å; N55-N57 PolarHBondContact OD1-N 3.43Å; N55-T58 HydrophobicContact CB-CG2 4.36Å; N55-T58 PolarHBondContact O-N 2.87Å; N55-T58 VanDerWaalsContact O-N 3.14Å; N55-T58 PolarHBondContact O-OG1 2.04Å | ||
| 56 | Q | 55.6 | Low | 54.6 | Low | 109 Ų | 109 | 75.6 Ų | 75.6 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -13.6 | 176.8 | -63.8 | -177.7 | -16.2 | 0 | 0 | 115.4 | T58 F84 | Q56-T58 VanDerWaalsContact C-N 3.28Å; Q56-F84 PolarHBondContact O-N 2.79Å |
| 57 | N | 59.5 | Low | 53.8 | Low | 95 Ų | 95 | 84.5 Ų | 84.5 | 51% | 0.508 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 4.1 | 174.5 | -64.2 | -10 | 0 | 0 | 0 | 112.2 | N55 C78 | N55-N57 VanDerWaalsContact C-N 3.26Å; N55-N57 PolarHBondContact O-N 2.93Å; N55-N57 WeakPolarHBondContact OD1-CB 3.4Å; N55-N57 PolarHBondContact OD1-N 3.43Å; N57-C78 PolarHBondContact O-N 3.19Å |
| 58 | T | 52.3 | Low | 53.9 | Low | 16 Ų | 16 | 82.8 Ų | 82.8 | 10% | 0.098 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 166.6 | 169 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | F14 N52 N55 Q56 A75 M76 | F14-T58 VanDerWaalsContact CE2-O 3.22Å; F14-T58 WeakPolarHBondContact CE2-O 3.06Å; F14-T58 WeakPolarHBondContact CZ-O 3.32Å; N52-T58 PolarHBondContact ND2-OG1 2.85Å; N55-T58 HydrophobicContact CB-CG2 4.36Å; N55-T58 PolarHBondContact O-N 2.87Å; N55-T58 VanDerWaalsContact O-N 3.14Å; N55-T58 PolarHBondContact O-OG1 2.04Å; Q56-T58 VanDerWaalsContact C-N 3.28Å; T58-A75 HydrophobicContact CG2-CB 4.45Å; T58-M76 CarbonylContact C-O 3.54Å; T58-M76 WeakPolarHBondContact CA-O 3.42Å; T58-M76 WeakPolarHBondContact CB-O 3.38Å |
| 59 | F | 67.4 | Low | 53.5 | Low | 47 Ų | 47 | 76.5 Ų | 76.5 | 21% | 0.206 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.4 | 153.3 | 69.3 | -81.8 | 0 | 0 | 0 | 108.3 | F14 M50 Q61 M76 F84 | F14-F59 VanDerWaalsContact CE1-CA 3.45Å; F14-F59 HydrophobicContact CE1-CB 4.41Å; F14-F59 HydrophobicContact CE2-CB 4.44Å; F14-F59 HydrophobicContact CZ-CB 4.42Å; M50-F59 HydrophobicContact CE-CB 4.36Å; M50-F59 HydrophobicContact CE-CD2 4.13Å; M50-F59 HydrophobicContact SD-CB 4.26Å; F59-Q61 HydrophobicContact CD2-CB 4.45Å; F59-Q61 HydrophobicContact CE2-CB 3.99Å; F59-Q61 HydrophobicContact CE2-CG 4.48Å; F59-M76 HydrophobicContact CD1-CB 4.03Å; F59-M76 HydrophobicContact CD2-CB 4.37Å; F59-M76 HydrophobicContact CE1-CB 3.58Å; F59-M76 HydrophobicContact CE2-CB 3.97Å; F59-M76 HydrophobicContact CE2-CG 4.33Å; F59-M76 HydrophobicContact CG-CB 4.4Å; F59-M76 HydrophobicContact CZ-CB 3.55Å; F59-M76 HydrophobicContact CZ-CG 4.15Å; F59-M76 PolarHBondContact N-O 3.28Å; F59-M76 PolarHBondContact O-N 2.03Å; F59-F84 HydrophobicContact CB-CD2 3.37Å; F59-F84 HydrophobicContact CB-CE2 3.52Å; F59-F84 HydrophobicContact CB-CG 3.99Å; F59-F84 HydrophobicContact CB-CZ 4.29Å; F59-F84 HydrophobicContact CD1-CD2 4.27Å; F59-F84 AromaticContact CG-CD2 3.99Å; F59-F84 HydrophobicContact CG-CD2 3.99Å; F59-F84 AromaticContact CG-CE2 3.98Å; F59-F84 HydrophobicContact CG-CE2 3.98Å |
| 60 | L | 71.6 | Confident | 53.2 | Low | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 136.6 | 175 | -85.8 | 163.3 | 0 | 0 | 0 | 108.6 | F14 P37 M50 N52 W73 R74 A75 | F14-L60 HydrophobicContact CD1-CB 4.09Å; F14-L60 HydrophobicContact CE1-CB 4.24Å; F14-L60 HydrophobicContact CE1-CD1 4.47Å; F14-L60 HydrophobicContact CE1-CG 4.29Å; F14-L60 VanDerWaalsContact CE1-N 3.33Å; P37-L60 HydrophobicContact CB-CD2 3.66Å; P37-L60 HydrophobicContact CG-CD1 4.33Å; P37-L60 HydrophobicContact CG-CD2 4.17Å; M50-L60 HydrophobicContact CB-CB 3.77Å; M50-L60 WeakPolarHBondContact CE-O 3.46Å; M50-L60 HydrophobicContact CG-CB 3.63Å; M50-L60 VanDerWaalsContact CG-O 3.23Å; M50-L60 WeakPolarHBondContact CG-O 3.19Å; M50-L60 VanDerWaalsContact O-CD1 3.29Å; M50-L60 WeakPolarHBondContact O-CD1 3.34Å; M50-L60 HydrophobicContact SD-CB 3.97Å; M50-L60 PolarHBondContact SD-N 2.95Å; N52-L60 HydrophobicContact CB-CD1 3.74Å; N52-L60 HydrophobicContact CB-CG 4.24Å; L60-W73 HydrophobicContact CB-CD2 4.46Å; L60-W73 HydrophobicContact CB-CE3 3.67Å; L60-W73 HydrophobicContact CB-CZ3 4.24Å; L60-W73 HydrophobicContact CD2-CB 4.01Å; L60-W73 WeakPolarHBondContact O-CZ3 3.34Å; L60-R74 CarbonylContact C-O 3.54Å; L60-R74 WeakPolarHBondContact CA-O 3.37Å; L60-A75 HydrophobicContact CD2-CB 4.04Å |
| 61 | Q | 69.7 | Low | 53.9 | Low | 84 Ų | 84 | 74.5 Ų | 74.5 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135 | 177.9 | -173.1 | 176.9 | 1.2 | 0 | 0 | 111 | F59 S63 R74 M76 | F59-Q61 HydrophobicContact CD2-CB 4.45Å; F59-Q61 HydrophobicContact CE2-CB 3.99Å; F59-Q61 HydrophobicContact CE2-CG 4.48Å; Q61-S63 PolarHBondContact O-N 3.22Å; Q61-S63 VanDerWaalsContact O-N 3.16Å; Q61-R74 PolarHBondContact N-O 2.89Å; Q61-R74 PolarHBondContact O-N 2.04Å; Q61-M76 HydrophobicContact CB-CG 3.64Å |
| 62 | C | 62.7 | Low | 54.8 | Low | 18 Ų | 18 | 75.1 Ų | 75.1 | 12% | 0.122 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 106.8 | 175 | -164.4 | 0 | 0 | 0 | 0 | 108.5 | C41 M43 W73 | C41-C62 WeakPolarHBondContact CA-SG 3.07Å; C41-C62 HydrophobicContact CB-CB 3.99Å; C41-C62 WeakPolarHBondContact CB-SG 3.19Å; C41-C62 PolarHBondContact O-SG 2.87Å; C41-C62 VanDerWaalsContact O-SG 3.36Å; C41-C62 WeakPolarHBondContact SG-CA 3.45Å; C41-C62 WeakPolarHBondContact SG-CB 3.04Å; C41-C62 CovalentContact SG-SG 2.04Å; C41-C62 PolarHBondContact SG-SG 2.83Å; M43-C62 HydrophobicContact CG-CB 4Å; M43-C62 WeakPolarHBondContact CG-SG 3.31Å; C62-W73 HydrophobicContact CB-CH2 3.41Å; C62-W73 VanDerWaalsContact CB-CH2 3.41Å; C62-W73 HydrophobicContact CB-CZ2 3.73Å; C62-W73 HydrophobicContact CB-CZ3 3.9Å |
| 63 | S | 59.1 | Low | 55.6 | Low | 28 Ų | 28 | 74.6 Ų | 74.6 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 109.8 | 173.5 | -64.2 | 0 | 0 | 0 | 0 | 109.5 | C41 Q61 A65 G71 V72 R74 | C41-S63 PolarHBondContact SG-N 3.03Å; Q61-S63 PolarHBondContact O-N 3.22Å; Q61-S63 VanDerWaalsContact O-N 3.16Å; S63-A65 PolarHBondContact O-N 3.48Å; S63-G71 CarbonylContact O-C 3.5Å; S63-G71 WeakPolarHBondContact O-CA 3.23Å; S63-V72 WeakPolarHBondContact CB-O 3.46Å; S63-V72 PolarHBondContact N-O 2.92Å; S63-V72 PolarHBondContact O-N 2.83Å; S63-R74 WeakPolarHBondContact OG-CD 3.11Å |
| 64 | P | 55.4 | Low | 56.4 | Low | 86 Ų | 86 | 77.4 Ų | 77.4 | 56% | 0.558 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 135.8 | -174.4 | 25.1 | -34.4 | 0 | 0 | 0 | 112.1 | ||
| 65 | A | 48.6 | Very low | 57.1 | Low | 45 Ų | 45 | 71.2 Ų | 71.2 | 37% | 0.372 | 37% | 0.372 | S | S | . | . | trans | -83.2 | 162 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | S63 R67 I70 | S63-A65 PolarHBondContact O-N 3.48Å; A65-R67 PolarHBondContact O-N 2.04Å; A65-I70 HydrophobicContact CB-CG2 4.38Å; A65-I70 PolarHBondContact N-O 2.92Å | ||
| 66 | K | 44.3 | Very low | 57.5 | Low | 220 Ų | 220 | 71.4 Ų | 71.4 | 96% | 0.957 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -71.9 | 18.1 | -170.7 | -64.9 | -175.4 | 176.3 | -179.8 | 0 | 115 | ||
| 67 | R | 33.5 | Very low | 58 | Low | 223 Ų | 223 | 70.9 Ų | 70.9 | 84% | 0.842 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -146.1 | 94.7 | -179.8 | -71.3 | -173.6 | 174.6 | 175.2 | -1.9 | 112.3 | A65 | A65-R67 PolarHBondContact O-N 2.04Š|
| 68 | G | 45.5 | Very low | 58.1 | Low | 66 Ų | 66 | 67.1 Ų | 67.1 | 68% | 0.68 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 81.7 | -160.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I70 | G68-I70 PolarHBondContact O-N 3.39Š|
| 69 | I | 43.6 | Very low | 58.4 | Low | 53 Ų | 53 | 69.6 Ų | 69.6 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -75.7 | 31.8 | 178.3 | 57.8 | 174.1 | 0 | 0 | 0 | 113 | T20 N42 L44 | T20-I69 HydrophobicContact CG2-CD1 4.15Å; T20-I69 HydrophobicContact CG2-CG1 4.02Å; N42-I69 VanDerWaalsContact CA-O 3.26Å; N42-I69 WeakPolarHBondContact CA-O 3.39Å; N42-I69 WeakPolarHBondContact CB-O 3.48Å; N42-I69 PolarHBondContact OD1-O 2.92Å; N42-I69 VanDerWaalsContact OD1-O 3.12Å; L44-I69 HydrophobicContact CD1-CD1 3.91Å; L44-I69 HydrophobicContact CD1-CG2 4.26Å |
| 70 | I | 46.3 | Very low | 57.3 | Low | 48 Ų | 48 | 73.4 Ų | 73.4 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | trans | -122.6 | 148.5 | -169.2 | -82.2 | -171.1 | 0 | 0 | 0 | 108.2 | H18 L19 T20 C41 A65 G68 | H18-I70 WeakPolarHBondContact CE1-CG1 3.22Å; H18-I70 WeakPolarHBondContact NE2-CA 3.45Å; H18-I70 WeakPolarHBondContact NE2-CG2 3.38Å; L19-I70 HydrophobicContact CD2-CD1 4.39Å; T20-I70 HydrophobicContact CG2-CD1 3.88Å; T20-I70 HydrophobicContact CG2-CG1 3.81Å; C41-I70 CarbonylContact O-C 3.58Å; A65-I70 HydrophobicContact CB-CG2 4.38Å; A65-I70 PolarHBondContact N-O 2.92Å; G68-I70 PolarHBondContact O-N 3.39Å | ||
| 71 | G | 64.6 | Low | 56.5 | Low | 2 Ų | 2 | 76.1 Ų | 76.1 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | -153.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H18 E40 C41 S63 | H18-G71 PolarHBondContact NE2-N 2.81Å; H18-G71 PolarHBondContact NE2-O 3.37Å; E40-G71 VanDerWaalsContact CA-O 3.26Å; E40-G71 WeakPolarHBondContact CA-O 3.33Å; C41-G71 VanDerWaalsContact CB-C 3.5Å; C41-G71 PolarHBondContact O-N 3.14Å; C41-G71 WeakPolarHBondContact SG-CA 3.49Å; S63-G71 CarbonylContact O-C 3.5Å; S63-G71 WeakPolarHBondContact O-CA 3.23Å |
| 72 | V | 69.6 | Low | 55.9 | Low | 62 Ų | 62 | 74.2 Ų | 74.2 | 38% | 0.376 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 141.4 | 172.8 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | C41 S63 | C41-V72 VanDerWaalsContact CB-N 3.27Å; C41-V72 PolarHBondContact SG-N 2.87Å; C41-V72 VanDerWaalsContact SG-N 3.42Å; S63-V72 WeakPolarHBondContact CB-O 3.46Å; S63-V72 PolarHBondContact N-O 2.92Å; S63-V72 PolarHBondContact O-N 2.83Å |
| 73 | W | 70.2 | Confident | 55.7 | Low | 12 Ų | 12 | 74.5 Ų | 74.5 | 5% | 0.045 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 127.1 | 172.9 | -75.7 | 108.5 | 0 | 0 | 0 | 112.7 | V15 L16 G17 G38 D39 E40 C41 M50 L60 C62 | V15-W73 WeakPolarHBondContact O-CH2 3.41Å; V15-W73 WeakPolarHBondContact O-CZ2 3.31Å; L16-W73 HydrophobicContact CD2-CD2 3.91Å; L16-W73 HydrophobicContact CD2-CG 3.66Å; G17-W73 PolarHBondContact O-NE1 3.49Å; G38-W73 PolarHBondContact N-O 2.78Å; D39-W73 WeakPolarHBondContact O-CB 3.49Å; D39-W73 PolarHBondContact O-N 3.28Å; E40-W73 PolarHBondContact O-NE1 2.88Å; C41-W73 HydrophobicContact CB-CD2 4.18Å; C41-W73 HydrophobicContact CB-CG 4.17Å; C41-W73 HydrophobicContact CB-CZ2 4.13Å; M50-W73 HydrophobicContact CB-CE3 4.44Å; M50-W73 HydrophobicContact CB-CZ3 4.18Å; M50-W73 HydrophobicContact CG-CE3 4.22Å; M50-W73 HydrophobicContact CG-CH2 4.15Å; M50-W73 HydrophobicContact CG-CZ3 3.62Å; L60-W73 HydrophobicContact CB-CD2 4.46Å; L60-W73 HydrophobicContact CB-CE3 3.67Å; L60-W73 HydrophobicContact CB-CZ3 4.24Å; L60-W73 HydrophobicContact CD2-CB 4.01Å; L60-W73 WeakPolarHBondContact O-CZ3 3.34Å; C62-W73 HydrophobicContact CB-CH2 3.41Å; C62-W73 VanDerWaalsContact CB-CH2 3.41Å; C62-W73 HydrophobicContact CB-CZ2 3.73Å; C62-W73 HydrophobicContact CB-CZ3 3.9Å |
| 74 | R | 63 | Low | 55.8 | Low | 161 Ų | 161 | 73.8 Ų | 73.8 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.8 | 173.2 | -73.1 | -171.2 | 166.3 | 171.8 | -10.1 | 111 | L60 Q61 S63 M76 | L60-R74 CarbonylContact C-O 3.54Å; L60-R74 WeakPolarHBondContact CA-O 3.37Å; Q61-R74 PolarHBondContact N-O 2.89Å; Q61-R74 PolarHBondContact O-N 2.04Å; S63-R74 WeakPolarHBondContact OG-CD 3.11Å; R74-M76 PolarHBondContact O-N 3.37Å |
| 75 | A | 64.4 | Low | 56.2 | Low | 51 Ų | 51 | 70.9 Ų | 70.9 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 119.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | T58 L60 | T58-A75 HydrophobicContact CG2-CB 4.45Å; L60-A75 HydrophobicContact CD2-CB 4.04Å |
| 76 | M | 60.1 | Low | 56.2 | Low | 72 Ų | 72 | 72.7 Ų | 72.7 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.9 | 176.3 | -68.1 | -68.6 | -74.2 | 0 | 0 | 108.8 | T58 F59 Q61 R74 | T58-M76 CarbonylContact C-O 3.54Å; T58-M76 WeakPolarHBondContact CA-O 3.42Å; T58-M76 WeakPolarHBondContact CB-O 3.38Å; F59-M76 HydrophobicContact CD1-CB 4.03Å; F59-M76 HydrophobicContact CD2-CB 4.37Å; F59-M76 HydrophobicContact CE1-CB 3.58Å; F59-M76 HydrophobicContact CE2-CB 3.97Å; F59-M76 HydrophobicContact CE2-CG 4.33Å; F59-M76 HydrophobicContact CG-CB 4.4Å; F59-M76 HydrophobicContact CZ-CB 3.55Å; F59-M76 HydrophobicContact CZ-CG 4.15Å; F59-M76 PolarHBondContact N-O 3.28Å; F59-M76 PolarHBondContact O-N 2.03Å; Q61-M76 HydrophobicContact CB-CG 3.64Å; R74-M76 PolarHBondContact O-N 3.37Å |
| 77 | P | 67.3 | Low | 56.4 | Low | 98 Ų | 98 | 66 Ų | 66 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 147.3 | 179 | 30.2 | -34.4 | 0 | 0 | 0 | 111.8 | ||
| 78 | C | 60.3 | Low | 57.2 | Low | 17 Ų | 17 | 60.4 Ų | 60.4 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 150.4 | 167.6 | -78.7 | 0 | 0 | 0 | 0 | 111.9 | N57 Q82 C91 | N57-C78 PolarHBondContact O-N 3.19Å; C78-Q82 HydrophobicContact CB-CB 4.4Å; C78-Q82 VanDerWaalsContact CB-O 3.31Å; C78-Q82 WeakPolarHBondContact CB-O 3.4Å; C78-C91 WeakPolarHBondContact CA-SG 3.16Å; C78-C91 HydrophobicContact CB-CB 3.67Å; C78-C91 WeakPolarHBondContact CB-SG 3.23Å; C78-C91 WeakPolarHBondContact SG-CB 3.01Å; C78-C91 CovalentContact SG-SG 2.04Å; C78-C91 PolarHBondContact SG-SG 2.8Å |
| 79 | P | 58.6 | Low | 57.6 | Low | 67 Ų | 67 | 61.9 Ų | 61.9 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 151.9 | 173.9 | -25.5 | 35.1 | 0 | 0 | 0 | 113.1 | G81 Q82 | P79-G81 PolarHBondContact O-N 2.97Å; P79-Q82 WeakPolarHBondContact O-CB 3.29Å; P79-Q82 PolarHBondContact O-N 3.27Å |
| 80 | P | 46 | Very low | 58.1 | Low | 127 Ų | 127 | 66 Ų | 66 | 83% | 0.825 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 128.7 | -178.8 | -28.7 | 36 | 0 | 0 | 0 | 113.7 | ||
| 81 | G | 53.1 | Low | 58.8 | Low | 59 Ų | 59 | 64.7 Ų | 64.7 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -4.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P79 F93 | P79-G81 PolarHBondContact O-N 2.97Å; G81-F93 WeakPolarHBondContact O-CD1 3.24Å |
| 82 | Q | 58 | Low | 58.2 | Low | 44 Ų | 44 | 65.7 Ų | 65.7 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136.1 | 178.8 | -59.4 | -177.4 | -1.8 | 0 | 0 | 112.4 | C78 P79 C91 D92 F93 | C78-Q82 HydrophobicContact CB-CB 4.4Å; C78-Q82 VanDerWaalsContact CB-O 3.31Å; C78-Q82 WeakPolarHBondContact CB-O 3.4Å; P79-Q82 WeakPolarHBondContact O-CB 3.29Å; P79-Q82 PolarHBondContact O-N 3.27Å; Q82-C91 HydrophobicContact CB-CB 3.9Å; Q82-C91 PolarHBondContact OE1-O 2.92Å; Q82-D92 CarbonylContact C-O 3.53Å; Q82-D92 VanDerWaalsContact CA-O 3.23Å; Q82-D92 WeakPolarHBondContact CA-O 3.25Å; Q82-F93 HydrophobicContact CG-CD1 4.07Å; Q82-F93 HydrophobicContact CG-CD2 4.02Å; Q82-F93 HydrophobicContact CG-CE1 4Å; Q82-F93 HydrophobicContact CG-CE2 3.97Å; Q82-F93 HydrophobicContact CG-CG 4.07Å; Q82-F93 HydrophobicContact CG-CZ 3.95Å; Q82-F93 VanDerWaalsContact NE2-CE2 3.26Å |
| 83 | T | 59.4 | Low | 57.6 | Low | 23 Ų | 23 | 67.5 Ų | 67.5 | 14% | 0.141 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 153.4 | 168.2 | 63.3 | 0 | 0 | 0 | 0 | 109.3 | Q85 C91 D92 D94 | T83-Q85 PolarHBondContact O-N 2.74Å; T83-C91 WeakPolarHBondContact O-CA 3.43Å; T83-D92 PolarHBondContact N-O 3.33Å; T83-D92 PolarHBondContact O-N 3.07Å; T83-D94 HydrophobicContact CG2-CB 4.05Å; T83-D94 PolarHBondContact OG1-OD2 2.85Å |
| 84 | F | 61.2 | Low | 56.2 | Low | 13 Ų | 13 | 69.2 Ų | 69.2 | 6% | 0.057 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 107.6 | 177 | -171.5 | -86.7 | 0 | 0 | 0 | 111.2 | F14 M50 Q56 F59 F86 Q89 | F14-F84 AromaticContact CD2-CD1 3.32Å; F14-F84 HydrophobicContact CD2-CD1 3.32Å; F14-F84 AromaticContact CD2-CE1 3.56Å; F14-F84 HydrophobicContact CD2-CE1 3.56Å; F14-F84 AromaticContact CD2-CG 3.96Å; F14-F84 HydrophobicContact CD2-CG 3.96Å; F14-F84 HydrophobicContact CD2-CZ 4.33Å; F14-F84 HydrophobicContact CE2-CB 4Å; F14-F84 AromaticContact CE2-CD1 3.66Å; F14-F84 HydrophobicContact CE2-CD1 3.66Å; F14-F84 HydrophobicContact CE2-CE1 4.34Å; F14-F84 AromaticContact CE2-CG 3.91Å; F14-F84 HydrophobicContact CE2-CG 3.91Å; F14-F84 HydrophobicContact CG-CD1 4.45Å; F14-F84 HydrophobicContact CG-CE1 4.33Å; M50-F84 HydrophobicContact CE-CZ 4.31Å; Q56-F84 PolarHBondContact O-N 2.79Å; F59-F84 HydrophobicContact CB-CD2 3.37Å; F59-F84 HydrophobicContact CB-CE2 3.52Å; F59-F84 HydrophobicContact CB-CG 3.99Å; F59-F84 HydrophobicContact CB-CZ 4.29Å; F59-F84 HydrophobicContact CD1-CD2 4.27Å; F59-F84 AromaticContact CG-CD2 3.99Å; F59-F84 HydrophobicContact CG-CD2 3.99Å; F59-F84 AromaticContact CG-CE2 3.98Å; F59-F84 HydrophobicContact CG-CE2 3.98Å; F84-F86 PolarHBondContact O-N 3.19Å; F84-Q89 VanDerWaalsContact CE2-C 3.44Å; F84-Q89 WeakPolarHBondContact CE2-O 3.44Å; F84-Q89 HydrophobicContact CZ-CB 4.2Å; F84-Q89 WeakPolarHBondContact CZ-O 3.43Å |
| 85 | Q | 62.9 | Low | 54.9 | Low | 26 Ų | 26 | 70.4 Ų | 70.4 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 112.6 | -178 | -59.1 | -146.9 | -32.5 | 0 | 0 | 111.5 | L10 T83 G87 K88 Q89 R90 D92 | L10-Q85 HydrophobicContact CD2-CB 4.38Å; L10-Q85 HydrophobicContact CD2-CG 4.01Å; T83-Q85 PolarHBondContact O-N 2.74Å; Q85-G87 PolarHBondContact O-N 3.21Å; Q85-K88 HydrophobicContact CB-CB 4.44Å; Q85-K88 HydrophobicContact CB-CD 4.34Å; Q85-K88 CarbonylContact O-C 3.5Å; Q85-K88 PolarHBondContact O-N 2.87Å; Q85-K88 VanDerWaalsContact OE1-CE 3.29Å; Q85-Q89 PolarHBondContact O-N 2.82Å; Q85-R90 PolarHBondContact N-O 3.43Å; Q85-D92 HydrophobicContact CG-CB 3.87Å |
| 86 | F | 48.6 | Very low | 53.1 | Low | 82 Ų | 82 | 69.7 Ų | 69.7 | 36% | 0.36 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -47.5 | -55.3 | 179.6 | 178.7 | -143 | 0 | 0 | 0 | 113.7 | N11 V12 F84 K88 Q89 | N11-F86 WeakPolarHBondContact O-CD1 3.3Å; V12-F86 HydrophobicContact CG2-CE1 4.43Å; V12-F86 VanDerWaalsContact O-CD1 3.28Å; V12-F86 WeakPolarHBondContact O-CD1 3.42Å; V12-F86 WeakPolarHBondContact O-CD2 3.24Å; V12-F86 WeakPolarHBondContact O-CE1 3.04Å; V12-F86 WeakPolarHBondContact O-CE2 3.05Å; V12-F86 WeakPolarHBondContact O-CG 3.37Å; V12-F86 WeakPolarHBondContact O-CZ 3.43Å; F84-F86 PolarHBondContact O-N 3.19Å; F86-K88 PolarHBondContact O-N 2.87Å; F86-Q89 WeakPolarHBondContact O-CG 3.39Å; F86-Q89 PolarHBondContact O-N 2.83Å |
| 87 | G | 48.1 | Very low | 51.3 | Low | 81 Ų | 81 | 71 Ų | 71 | 84% | 0.835 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -66.6 | -2.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q85 | Q85-G87 PolarHBondContact O-N 3.21Š|
| 88 | K | 50.7 | Low | 49.1 | Very low | 104 Ų | 104 | 72.9 Ų | 72.9 | 45% | 0.452 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -123.8 | -3.9 | 174.1 | -56.7 | 175.2 | -177.9 | 160.8 | 0 | 112.9 | Q85 F86 R90 D92 | Q85-K88 HydrophobicContact CB-CB 4.44Å; Q85-K88 HydrophobicContact CB-CD 4.34Å; Q85-K88 CarbonylContact O-C 3.5Å; Q85-K88 PolarHBondContact O-N 2.87Å; Q85-K88 VanDerWaalsContact OE1-CE 3.29Å; F86-K88 PolarHBondContact O-N 2.87Å; K88-R90 HydrophobicContact CB-CG 3.84Å; K88-R90 PolarHBondContact O-N 3.2Å; K88-R90 VanDerWaalsContact O-N 3.08Å; K88-D92 HydrophobicContact CD-CB 4.32Å; K88-D92 WeakPolarHBondContact CD-OD2 3.49Å; K88-D92 WeakPolarHBondContact CE-OD2 3.46Å; K88-D92 IonicContact NZ-OD2 3.66Å; K88-D92 PolarHBondContact NZ-OD2 2.91Å |
| 89 | Q | 53 | Low | 47.2 | Very low | 98 Ų | 98 | 80.1 Ų | 80.1 | 46% | 0.458 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.1 | 38.5 | -172.1 | -67.5 | -179.3 | -35.2 | 0 | 0 | 114.5 | F84 Q85 F86 | F84-Q89 VanDerWaalsContact CE2-C 3.44Å; F84-Q89 WeakPolarHBondContact CE2-O 3.44Å; F84-Q89 HydrophobicContact CZ-CB 4.2Å; F84-Q89 WeakPolarHBondContact CZ-O 3.43Å; Q85-Q89 PolarHBondContact O-N 2.82Å; F86-Q89 WeakPolarHBondContact O-CG 3.39Å; F86-Q89 PolarHBondContact O-N 2.83Å |
| 90 | R | 54.2 | Low | 45.3 | Very low | 138 Ų | 138 | 82.4 Ų | 82.4 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 160.6 | -178.9 | 72.3 | -179.7 | -163 | 173.3 | 7.9 | 112.1 | Q85 K88 D92 | Q85-R90 PolarHBondContact N-O 3.43Å; K88-R90 HydrophobicContact CB-CG 3.84Å; K88-R90 PolarHBondContact O-N 3.2Å; K88-R90 VanDerWaalsContact O-N 3.08Å; R90-D92 IonicContact CZ-OD2 2.73Å; R90-D92 IonicContact NE-OD2 3.65Å; R90-D92 PolarHBondContact NE-OD2 2.76Å; R90-D92 VanDerWaalsContact NE-OD2 3.11Å; R90-D92 IonicContact NH2-OD1 3.36Å; R90-D92 IonicContact NH2-OD2 3.64Å; R90-D92 PolarHBondContact NH2-OD2 3.18Å |
| 91 | C | 61 | Low | 44 | Very low | 21 Ų | 21 | 82.6 Ų | 82.6 | 14% | 0.142 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 129.4 | 161.8 | -53.4 | 0 | 0 | 0 | 0 | 110.1 | C78 Q82 T83 | C78-C91 WeakPolarHBondContact CA-SG 3.16Å; C78-C91 HydrophobicContact CB-CB 3.67Å; C78-C91 WeakPolarHBondContact CB-SG 3.23Å; C78-C91 WeakPolarHBondContact SG-CB 3.01Å; C78-C91 CovalentContact SG-SG 2.04Å; C78-C91 PolarHBondContact SG-SG 2.8Å; Q82-C91 HydrophobicContact CB-CB 3.9Å; Q82-C91 PolarHBondContact OE1-O 2.92Å; T83-C91 WeakPolarHBondContact O-CA 3.43Å |
| 92 | D | 53.1 | Low | 42.4 | Very low | 23 Ų | 23 | 85 Ų | 85 | 12% | 0.123 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 157.6 | 176.7 | -145.9 | -29.5 | 0 | 0 | 0 | 110.2 | Q82 T83 Q85 K88 R90 D94 | Q82-D92 CarbonylContact C-O 3.53Å; Q82-D92 VanDerWaalsContact CA-O 3.23Å; Q82-D92 WeakPolarHBondContact CA-O 3.25Å; T83-D92 PolarHBondContact N-O 3.33Å; T83-D92 PolarHBondContact O-N 3.07Å; Q85-D92 HydrophobicContact CG-CB 3.87Å; K88-D92 HydrophobicContact CD-CB 4.32Å; K88-D92 WeakPolarHBondContact CD-OD2 3.49Å; K88-D92 WeakPolarHBondContact CE-OD2 3.46Å; K88-D92 IonicContact NZ-OD2 3.66Å; K88-D92 PolarHBondContact NZ-OD2 2.91Å; R90-D92 IonicContact CZ-OD2 2.73Å; R90-D92 IonicContact NE-OD2 3.65Å; R90-D92 PolarHBondContact NE-OD2 2.76Å; R90-D92 VanDerWaalsContact NE-OD2 3.11Å; R90-D92 IonicContact NH2-OD1 3.36Å; R90-D92 IonicContact NH2-OD2 3.64Å; R90-D92 PolarHBondContact NH2-OD2 3.18Å; D92-D94 PolarHBondContact O-N 2.75Å |
| 93 | F | 56.7 | Low | 40.5 | Very low | 100 Ų | 100 | 93.9 Ų | 93.9 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 130.3 | -178.1 | -71.2 | -83.8 | 0 | 0 | 0 | 111.1 | G81 Q82 F95 | G81-F93 WeakPolarHBondContact O-CD1 3.24Å; Q82-F93 HydrophobicContact CG-CD1 4.07Å; Q82-F93 HydrophobicContact CG-CD2 4.02Å; Q82-F93 HydrophobicContact CG-CE1 4Å; Q82-F93 HydrophobicContact CG-CE2 3.97Å; Q82-F93 HydrophobicContact CG-CG 4.07Å; Q82-F93 HydrophobicContact CG-CZ 3.95Å; Q82-F93 VanDerWaalsContact NE2-CE2 3.26Å; F93-F95 HydrophobicContact CB-CD2 4.39Å; F93-F95 HydrophobicContact CB-CE2 3.64Å; F93-F95 HydrophobicContact CB-CZ 4.03Å; F93-F95 WeakPolarHBondContact O-CD2 3.48Å |
| 94 | D | 41 | Very low | 38.5 | Very low | 49 Ų | 49 | 98 Ų | 98 | 26% | 0.262 | 52% | 0.516 | S | S | . | . | trans | -94.5 | 114.3 | -178.3 | -149.4 | -36.7 | 0 | 0 | 0 | 111.8 | T83 D92 S96 | T83-D94 HydrophobicContact CG2-CB 4.05Å; T83-D94 PolarHBondContact OG1-OD2 2.85Å; D92-D94 PolarHBondContact O-N 2.75Å; D94-S96 VanDerWaalsContact C-N 3.34Å; D94-S96 WeakPolarHBondContact OD1-CB 3.39Å; D94-S96 PolarHBondContact OD1-N 2.83Å; D94-S96 PolarHBondContact OD1-OG 3.34Å | ||
| 95 | F | 34.5 | Very low | 36.5 | Very low | 185 Ų | 185 | 101.8 Ų | 101.8 | 81% | 0.811 | 54% | 0.544 | S | S | * | . | trans | -97.2 | 21.1 | -177.7 | -68.8 | -83.5 | 0 | 0 | 0 | 112.7 | F93 | F93-F95 HydrophobicContact CB-CD2 4.39Å; F93-F95 HydrophobicContact CB-CE2 3.64Å; F93-F95 HydrophobicContact CB-CZ 4.03Å; F93-F95 WeakPolarHBondContact O-CD2 3.48Å | ||
| 96 | S | 26.9 | Very low | 34.4 | Very low | 36 Ų | 36 | 106.5 Ų | 106.5 | 25% | 0.252 | 58% | 0.58 | S | S | . | * | trans | -115 | 27.4 | -162.2 | -36.4 | 0 | 0 | 0 | 0 | 115.3 | F7 A8 D94 | F7-S96 WeakPolarHBondContact CD1-O 3.4Å; F7-S96 VanDerWaalsContact CE1-C 3.43Å; F7-S96 WeakPolarHBondContact CE1-O 3.28Å; A8-S96 WeakPolarHBondContact CB-OG 3.4Å; D94-S96 VanDerWaalsContact C-N 3.34Å; D94-S96 WeakPolarHBondContact OD1-CB 3.39Å; D94-S96 PolarHBondContact OD1-N 2.83Å; D94-S96 PolarHBondContact OD1-OG 3.34Å | ||
| 97 | S | 22.9 | Very low | 33.2 | Very low | 99 Ų | 99 | 109.7 Ų | 109.7 | 69% | 0.692 | 60% | 0.596 | S | S | * | * | trans | -154.9 | 51.5 | 177.7 | 54.2 | 0 | 0 | 0 | 0 | 116.5 | Q99 | S97-Q99 PolarHBondContact O-N 2.9Š| ||
| 98 | I | 21.4 | Very low | 31.9 | Very low | 139 Ų | 139 | 112 Ų | 112 | 71% | 0.713 | 59% | 0.589 | S | S | * | * | trans | -84.9 | 87.9 | 153.7 | -60.1 | 179.2 | 0 | 0 | 0 | 109.3 | V100 | I98-V100 HydrophobicContact CG2-CG2 4.05Š| ||
| 99 | Q | 19.5 | Very low | 30.4 | Very low | 168 Ų | 168 | 112.7 Ų | 112.7 | 79% | 0.785 | 60% | 0.596 | S | S | * | * | trans | -112.7 | 115.1 | 141.8 | -87.2 | -68 | -75.4 | 0 | 0 | 106.8 | S97 T101 | S97-Q99 PolarHBondContact O-N 2.9Å; Q99-T101 PolarHBondContact O-N 2.69Å | ||
| 100 | V | 19.5 | Very low | 28.9 | Very low | 116 Ų | 116 | 115 Ų | 115 | 70% | 0.703 | 61% | 0.605 | S | S | * | * | trans | -80 | 104.3 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | I98 V102 | I98-V100 HydrophobicContact CG2-CG2 4.05Å; V100-V102 HydrophobicContact CG1-CG2 4.23Å | ||
| 101 | T | 19 | Very low | 27.3 | Very low | 131 Ų | 131 | 115.1 Ų | 115.1 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | trans | -114.1 | 129.8 | 157.2 | 43.2 | 0 | 0 | 0 | 0 | 109.7 | Q99 | Q99-T101 PolarHBondContact O-N 2.69Š| ||
| 102 | V | 17.9 | Very low | 25.4 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | trans | -88.1 | 124.8 | -172.1 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | V100 | V100-V102 HydrophobicContact CG1-CG2 4.23Š| ||
| 103 | R | 18.2 | Very low | 23.8 | Very low | 231 Ų | 231 | 129.6 Ų | 129.6 | 87% | 0.872 | 67% | 0.667 | S | S | * | * | trans | 62.8 | 116 | 164.9 | -62.3 | 163.8 | -175.2 | 170.2 | -0.7 | 118.3 | ||||
| 104 | S | 18.3 | Very low | 22.2 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | -140 | 107.7 | 120.9 | 65.3 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 105 | S | 19.9 | Very low | 21.3 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | 64.3 | 96 | 87.3 | 74.4 | 0 | 0 | 0 | 0 | 113.6 | Q107 | S105-Q107 PolarHBondContact O-N 3.21Š| |||
| 106 | S | 19.1 | Very low | 20.7 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | trans | -59.7 | 119.4 | 173.6 | -47.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 107 | Q | 21.8 | Very low | 20.4 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | trans | -134.2 | 121.1 | 162.2 | -64.3 | -167.8 | 6.4 | 0 | 0 | 108.5 | S105 I109 | S105-Q107 PolarHBondContact O-N 3.21Å; Q107-I109 PolarHBondContact O-N 3.46Å | ||
| 108 | N | 20.4 | Very low | 20.3 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | 59 | 39 | 74.7 | -77.9 | -37.1 | 0 | 0 | 0 | 114.5 | K110 | N108-K110 VanDerWaalsContact O-CD 3.28Å; N108-K110 WeakPolarHBondContact O-CD 3.37Å; N108-K110 WeakPolarHBondContact O-CE 3.47Å; N108-K110 WeakPolarHBondContact O-CG 3.49Å; N108-K110 PolarHBondContact O-NZ 3.15Å | |||
| 109 | I | 19.7 | Very low | 20.3 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 61% | 0.605 | 70% | 0.703 | S | S | * | * | trans | -120.6 | 112 | 150 | -77.2 | 87.5 | 0 | 0 | 0 | 106.3 | Q107 | Q107-I109 PolarHBondContact O-N 3.46Š| ||
| 110 | K | 21.1 | Very low | 21.2 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 64% | 0.635 | 70% | 0.701 | S | S | * | * | cis | 78.2 | 165 | 43.7 | -57.7 | 165.5 | -171.8 | 129.8 | 0 | 113.1 | N108 | N108-K110 VanDerWaalsContact O-CD 3.28Å; N108-K110 WeakPolarHBondContact O-CD 3.37Å; N108-K110 WeakPolarHBondContact O-CE 3.47Å; N108-K110 WeakPolarHBondContact O-CG 3.49Å; N108-K110 PolarHBondContact O-NZ 3.15Å | ||
| 111 | Q | 21.3 | Very low | 21.7 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 66% | 0.659 | 70% | 0.704 | S | S | * | * | trans | 74.3 | 111.8 | 158.6 | -73.4 | 132.7 | -24.3 | 0 | 0 | 116 | ||||
| 112 | K | 21.8 | Very low | 22.1 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 73% | 0.73 | 71% | 0.705 | S | S | * | * | 90.2 | 55.9 | 65.3 | -80.4 | -179.1 | 173.2 | 176.2 | 0 | 114.2 | K114 | K112-K114 HydrophobicContact CB-CD 4.5Å; K112-K114 HydrophobicContact CB-CG 4.42Å | |||
| 113 | Y | 19 | Very low | 22.7 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | trans | -116.6 | 91.8 | 148 | -114.3 | -39.9 | 0 | 0 | 0 | 106 | T124 | Y113-T124 VanDerWaalsContact CB-CG2 3.47Å; Y113-T124 HydrophobicContact CD1-CG2 3.41Å; Y113-T124 VanDerWaalsContact CD1-CG2 3.41Å; Y113-T124 HydrophobicContact CD2-CG2 4.36Å; Y113-T124 HydrophobicContact CE1-CG2 4.15Å; Y113-T124 HydrophobicContact CG-CG2 3.51Å | ||
| 114 | K | 22.7 | Very low | 23.4 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 59% | 0.591 | 67% | 0.669 | S | S | * | * | 58.9 | 86.6 | 51.3 | -68.2 | -177.7 | 158.2 | -166.5 | 0 | 112.2 | K112 T124 | K112-K114 HydrophobicContact CB-CD 4.5Å; K112-K114 HydrophobicContact CB-CG 4.42Å; K114-T124 WeakPolarHBondContact O-CB 2.89Å; K114-T124 WeakPolarHBondContact O-CG2 3.38Å | |||
| 115 | R | 21.6 | Very low | 23.9 | Very low | 214 Ų | 214 | 123.5 Ų | 123.5 | 81% | 0.808 | 66% | 0.661 | S | S | * | * | 75.6 | 91.6 | 94.4 | -81.9 | -168.9 | 176.5 | -174.7 | -1.6 | 114.2 | T124 I125 | R115-T124 WeakPolarHBondContact CA-O 3.48Å; R115-T124 PolarHBondContact N-O 2.88Å; R115-I125 HydrophobicContact CG-CD1 4.02Å | |||
| 116 | A | 21.7 | Very low | 24.4 | Very low | 39 Ų | 39 | 124.5 Ų | 124.5 | 32% | 0.322 | 66% | 0.663 | S | S | . | * | -162.5 | 126.7 | 128.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P123 T124 | A116-P123 CarbonylContact C-O 3.58Å; A116-P123 WeakPolarHBondContact CA-O 3.25Å; A116-P123 HydrophobicContact CB-CB 3.89Å; A116-P123 HydrophobicContact CB-CG 3.64Å; A116-P123 WeakPolarHBondContact CB-O 3.41Å; A116-P123 PolarHBondContact N-O 3.37Å; A116-T124 PolarHBondContact N-O 3.22Å | |||
| 117 | A | 21.2 | Very low | 25 | Very low | 102 Ų | 102 | 123.5 Ų | 123.5 | 84% | 0.843 | 65% | 0.654 | S | S | * | * | cis | 58.4 | 100.4 | 34.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 118 | G | 21.2 | Very low | 25.5 | Very low | 62 Ų | 62 | 120.4 Ų | 120.4 | 64% | 0.639 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 95.9 | 105.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 119 | D | 21.9 | Very low | 26.4 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 63.6 | 170.1 | 140.1 | -88.7 | -40.8 | 0 | 0 | 0 | 120.4 | K121 | D119-K121 WeakPolarHBondContact O-CA 3.41Å; D119-K121 WeakPolarHBondContact O-CG 3.4Å; D119-K121 PolarHBondContact O-N 3.17Å |
| 120 | P | 37.5 | Very low | 27.8 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 75% | 0.747 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -44.2 | 116.4 | -173.9 | -37 | 39.3 | 0 | 0 | 0 | 116.3 | ||
| 121 | K | 31.3 | Very low | 29.9 | Very low | 174 Ų | 174 | 113.8 Ų | 113.8 | 76% | 0.757 | 62% | 0.62 | S | S | * | * | S | Bend | cis | 173.9 | 100.4 | -32 | -100.2 | 155.1 | -167.5 | 174.1 | 0 | 102.9 | D119 | D119-K121 WeakPolarHBondContact O-CA 3.41Å; D119-K121 WeakPolarHBondContact O-CG 3.4Å; D119-K121 PolarHBondContact O-N 3.17Å |
| 122 | P | 26.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 111 Ų | 111 | 83% | 0.825 | 60% | 0.604 | S | S | * | * | -157.7 | 127.2 | 69 | 36.8 | -14.4 | 0 | 0 | 0 | 118 | |||||
| 123 | P | 31.4 | Very low | 34.7 | Very low | 61 Ų | 61 | 104 Ų | 104 | 40% | 0.396 | 58% | 0.576 | S | S | . | * | trans | -147.2 | 83.4 | 173.8 | 28.4 | -2.9 | 0 | 0 | 0 | 119.9 | A116 | A116-P123 CarbonylContact C-O 3.58Å; A116-P123 WeakPolarHBondContact CA-O 3.25Å; A116-P123 HydrophobicContact CB-CB 3.89Å; A116-P123 HydrophobicContact CB-CG 3.64Å; A116-P123 WeakPolarHBondContact CB-O 3.41Å; A116-P123 PolarHBondContact N-O 3.37Å | ||
| 124 | T | 32 | Very low | 37.2 | Very low | 63 Ų | 63 | 100.8 Ų | 100.8 | 39% | 0.387 | 57% | 0.571 | S | S | . | * | trans | 66.7 | 123.9 | 143.6 | -35.3 | 0 | 0 | 0 | 0 | 124 | Y113 K114 R115 A116 | Y113-T124 VanDerWaalsContact CB-CG2 3.47Å; Y113-T124 HydrophobicContact CD1-CG2 3.41Å; Y113-T124 VanDerWaalsContact CD1-CG2 3.41Å; Y113-T124 HydrophobicContact CD2-CG2 4.36Å; Y113-T124 HydrophobicContact CE1-CG2 4.15Å; Y113-T124 HydrophobicContact CG-CG2 3.51Å; K114-T124 WeakPolarHBondContact O-CB 2.89Å; K114-T124 WeakPolarHBondContact O-CG2 3.38Å; R115-T124 WeakPolarHBondContact CA-O 3.48Å; R115-T124 PolarHBondContact N-O 2.88Å; A116-T124 PolarHBondContact N-O 3.22Å | ||
| 125 | I | 28.1 | Very low | 39.8 | Very low | 117 Ų | 117 | 98.4 Ų | 98.4 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | trans | -161.9 | 158.2 | 135.1 | -93 | -161 | 0 | 0 | 0 | 109.6 | R115 | R115-I125 HydrophobicContact CG-CD1 4.02Š| ||
| 126 | V | 32.2 | Very low | 42.4 | Very low | 114 Ų | 114 | 92.2 Ų | 92.2 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | trans | -126 | 133.1 | 168.9 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 127 | P | 31.1 | Very low | 44.7 | Very low | 104 Ų | 104 | 90.4 Ų | 90.4 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | trans | -95.8 | 140.7 | 159.3 | 35.4 | -28.3 | 0 | 0 | 0 | 111.2 | ||||
| 128 | A | 31.7 | Very low | 46.7 | Very low | 83 Ų | 83 | 90.7 Ų | 90.7 | 69% | 0.686 | 52% | 0.521 | S | S | * | . | trans | -141.1 | 79.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 129 | H | 40.2 | Very low | 48.4 | Very low | 156 Ų | 156 | 91 Ų | 91 | 72% | 0.722 | 53% | 0.525 | S | S | * | . | trans | -140.3 | 146.1 | 160 | -85.1 | -81.5 | 0 | 0 | 0 | 109.7 | S140 Y141 | H129-S140 WeakPolarHBondContact O-CA 3.45Å; H129-S140 WeakPolarHBondContact O-CB 3.04Å; H129-Y141 PolarHBondContact O-N 2.8Å | ||
| 130 | I | 47.7 | Very low | 50.4 | Low | 92 Ų | 92 | 85.2 Ų | 85.2 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.6 | 164.1 | -66.9 | 173 | 0 | 0 | 0 | 104.6 | Y141 F143 | I130-Y141 WeakPolarHBondContact CA-O 3.37Å; I130-F143 HydrophobicContact CG2-CB 3.89Å; I130-F143 HydrophobicContact CG2-CD2 4.46Å |
| 131 | S | 66.4 | Low | 51.8 | Low | 7 Ų | 7 | 88 Ų | 88 | 5% | 0.049 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.6 | -176.2 | -73.3 | 0 | 0 | 0 | 0 | 109.6 | P136 S140 Y141 C142 F143 C155 | S131-P136 WeakPolarHBondContact CB-O 3.37Å; S131-P136 PolarHBondContact OG-O 2.63Å; S131-S140 WeakPolarHBondContact CB-OG 3.38Å; S131-S140 PolarHBondContact OG-OG 2.84Å; S131-Y141 PolarHBondContact N-O 2.91Å; S131-C142 WeakPolarHBondContact O-CA 3.29Å; S131-F143 PolarHBondContact O-N 2.7Å; S131-C155 WeakPolarHBondContact CB-SG 3.42Å; S131-C155 PolarHBondContact O-SG 2.78Å |
| 132 | Y | 72.3 | Confident | 53.7 | Low | 82 Ų | 82 | 80.3 Ų | 80.3 | 32% | 0.322 | 46% | 0.46 | S | S | . | . | trans | -88.9 | 177.3 | 176.9 | -62.3 | -88.3 | 0 | 0 | 0 | 110.6 | N134 Q135 F143 C155 L168 | Y132-N134 PolarHBondContact O-N 3.25Å; Y132-Q135 VanDerWaalsContact N-OE1 3.11Å; Y132-Q135 WeakPolarHBondContact O-CB 3.24Å; Y132-Q135 PolarHBondContact O-N 3.37Å; Y132-F143 HydrophobicContact CD1-CB 3.79Å; Y132-F143 AromaticContact CD1-CD1 3.78Å; Y132-F143 HydrophobicContact CD1-CD1 3.78Å; Y132-F143 HydrophobicContact CD1-CG 4.11Å; Y132-F143 HydrophobicContact CE1-CB 3.86Å; Y132-F143 AromaticContact CE1-CD1 3.48Å; Y132-F143 HydrophobicContact CE1-CD1 3.48Å; Y132-F143 VanDerWaalsContact CE1-CD1 3.48Å; Y132-F143 HydrophobicContact CE1-CE1 4.25Å; Y132-F143 AromaticContact CE1-CG 3.78Å; Y132-F143 HydrophobicContact CE1-CG 3.78Å; Y132-C155 WeakPolarHBondContact O-CB 3.01Å; Y132-L168 HydrophobicContact CD1-CB 3.93Å; Y132-L168 HydrophobicContact CD1-CD1 3.99Å; Y132-L168 HydrophobicContact CD1-CD2 4.41Å; Y132-L168 HydrophobicContact CD1-CG 4.34Å; Y132-L168 HydrophobicContact CE1-CD1 4.18Å; Y132-L168 HydrophobicContact CG-CD1 4.46Å; Y132-L168 HydrophobicContact CG-CD2 4.37Å | ||
| 133 | V | 71.2 | Confident | 55.5 | Low | 22 Ų | 22 | 79.1 Ų | 79.1 | 13% | 0.133 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 130.5 | 179.2 | -160.5 | 0 | 0 | 0 | 0 | 111 | Q135 C155 C157 A163 | V133-Q135 VanDerWaalsContact C-N 3.3Å; V133-Q135 PolarHBondContact O-N 3.41Å; V133-C155 CarbonylContact C-O 3.48Å; V133-C155 VanDerWaalsContact CA-O 3.3Å; V133-C155 WeakPolarHBondContact CA-O 3.41Å; V133-C157 VanDerWaalsContact CG1-SG 3.57Å; V133-A163 HydrophobicContact CG1-CB 3.95Å |
| 134 | N | 71.7 | Confident | 57 | Low | 112 Ų | 112 | 77.2 Ų | 77.2 | 60% | 0.599 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 20 | -173.4 | -59 | -25.5 | 0 | 0 | 0 | 116.2 | Y132 C155 | Y132-N134 PolarHBondContact O-N 3.25Å; N134-C155 PolarHBondContact N-O 2.95Å |
| 135 | Q | 77.5 | Confident | 58.7 | Low | 86 Ų | 86 | 76.7 Ų | 76.7 | 40% | 0.402 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -100.2 | 150 | 165.7 | -66.2 | -170 | -26.9 | 0 | 0 | 111.6 | Y132 V133 C137 C155 | Y132-Q135 VanDerWaalsContact N-OE1 3.11Å; Y132-Q135 WeakPolarHBondContact O-CB 3.24Å; Y132-Q135 PolarHBondContact O-N 3.37Å; V133-Q135 VanDerWaalsContact C-N 3.3Å; V133-Q135 PolarHBondContact O-N 3.41Å; Q135-C137 PolarHBondContact O-N 2.96Å; Q135-C155 PolarHBondContact O-N 2.81Å |
| 136 | P | 76.6 | Confident | 61.1 | Low | 83 Ų | 83 | 71.5 Ų | 71.5 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 128.9 | -177.3 | 22.8 | -32.9 | 0 | 0 | 0 | 111.6 | S131 S140 E153 | S131-P136 WeakPolarHBondContact CB-O 3.37Å; S131-P136 PolarHBondContact OG-O 2.63Å; P136-S140 PolarHBondContact O-OG 3.37Å; P136-E153 CarbonylContact C-O 3.5Å; P136-E153 WeakPolarHBondContact CA-O 3.44Å |
| 137 | C | 69.8 | Low | 63.2 | Low | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | trans | -94.9 | 5.9 | -172.6 | 69.3 | 0 | 0 | 0 | 0 | 114.6 | Q135 G139 S140 C148 E153 L154 C155 | Q135-C137 PolarHBondContact O-N 2.96Å; C137-G139 PolarHBondContact O-N 2.99Å; C137-S140 VanDerWaalsContact C-OG 3.24Å; C137-S140 VanDerWaalsContact CA-OG 3.23Å; C137-S140 WeakPolarHBondContact CA-OG 3.35Å; C137-S140 PolarHBondContact O-N 3.39Å; C137-S140 PolarHBondContact O-OG 3.21Å; C137-C148 HydrophobicContact CB-CB 3.55Å; C137-C148 WeakPolarHBondContact CB-SG 3.2Å; C137-C148 WeakPolarHBondContact SG-CA 3.42Å; C137-C148 WeakPolarHBondContact SG-CB 3.44Å; C137-C148 CovalentContact SG-SG 2.03Å; C137-C148 PolarHBondContact SG-SG 2.71Å; C137-E153 PolarHBondContact N-O 2.85Å; C137-L154 VanDerWaalsContact SG-C 3.53Å; C137-L154 PolarHBondContact SG-N 3.44Å; C137-C155 HydrophobicContact CB-CB 4.29Å; C137-C155 WeakPolarHBondContact CB-SG 3.38Å | ||
| 138 | N | 62.6 | Low | 65.5 | Low | 109 Ų | 109 | 67.3 Ų | 67.3 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 92.5 | -173.9 | -169 | -38.5 | 0 | 0 | 0 | 112.2 | S140 E153 | N138-S140 VanDerWaalsContact C-N 3.26Å; N138-S140 PolarHBondContact O-N 2.88Å; N138-E153 PolarHBondContact ND2-OE1 3.42Å; N138-E153 PolarHBondContact ND2-OE2 2.89Å |
| 139 | G | 57.2 | Low | 67.5 | Low | 69 Ų | 69 | 65.3 Ų | 65.3 | 71% | 0.711 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 8.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | C137 | C137-G139 PolarHBondContact O-N 2.99Š|
| 140 | S | 62.7 | Low | 68.8 | Low | 13 Ų | 13 | 64.9 Ų | 64.9 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | trans | -106 | 142.8 | -176.1 | 56.9 | 0 | 0 | 0 | 0 | 113 | H129 S131 P136 C137 N138 C142 | H129-S140 WeakPolarHBondContact O-CA 3.45Å; H129-S140 WeakPolarHBondContact O-CB 3.04Å; S131-S140 WeakPolarHBondContact CB-OG 3.38Å; S131-S140 PolarHBondContact OG-OG 2.84Å; P136-S140 PolarHBondContact O-OG 3.37Å; C137-S140 VanDerWaalsContact C-OG 3.24Å; C137-S140 VanDerWaalsContact CA-OG 3.23Å; C137-S140 WeakPolarHBondContact CA-OG 3.35Å; C137-S140 PolarHBondContact O-N 3.39Å; C137-S140 PolarHBondContact O-OG 3.21Å; N138-S140 VanDerWaalsContact C-N 3.26Å; N138-S140 PolarHBondContact O-N 2.88Å; S140-C142 PolarHBondContact O-N 2.77Å | ||
| 141 | Y | 67.6 | Low | 69.6 | Low | 172 Ų | 172 | 69.3 Ų | 69.3 | 68% | 0.675 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 125.8 | 179.7 | -179.7 | -93.1 | 0 | 0 | 0 | 110.8 | H129 I130 S131 | H129-Y141 PolarHBondContact O-N 2.8Å; I130-Y141 WeakPolarHBondContact CA-O 3.37Å; S131-Y141 PolarHBondContact N-O 2.91Å |
| 142 | C | 71.9 | Confident | 70.1 | Confident | 14 Ų | 14 | 71.9 Ų | 71.9 | 10% | 0.095 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.6 | 179.9 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | S131 S140 S146 V147 C148 C155 | S131-C142 WeakPolarHBondContact O-CA 3.29Å; S140-C142 PolarHBondContact O-N 2.77Å; C142-S146 WeakPolarHBondContact CB-O 3.26Å; C142-V147 VanDerWaalsContact SG-C 3.58Å; C142-C148 PolarHBondContact SG-N 3.48Å; C142-C155 WeakPolarHBondContact CA-SG 3.49Å; C142-C155 HydrophobicContact CB-CB 3.77Å; C142-C155 WeakPolarHBondContact CB-SG 3.27Å; C142-C155 VanDerWaalsContact SG-CA 3.51Å; C142-C155 WeakPolarHBondContact SG-CB 3.14Å; C142-C155 CovalentContact SG-SG 2.04Å; C142-C155 PolarHBondContact SG-SG 2.92Å |
| 143 | F | 62.9 | Low | 70 | Confident | 102 Ų | 102 | 72.9 Ų | 72.9 | 45% | 0.447 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 161.8 | -177.2 | -163 | -96.3 | 0 | 0 | 0 | 112.9 | I130 S131 Y132 G145 S146 | I130-F143 HydrophobicContact CG2-CB 3.89Å; I130-F143 HydrophobicContact CG2-CD2 4.46Å; S131-F143 PolarHBondContact O-N 2.7Å; Y132-F143 HydrophobicContact CD1-CB 3.79Å; Y132-F143 AromaticContact CD1-CD1 3.78Å; Y132-F143 HydrophobicContact CD1-CD1 3.78Å; Y132-F143 HydrophobicContact CD1-CG 4.11Å; Y132-F143 HydrophobicContact CE1-CB 3.86Å; Y132-F143 AromaticContact CE1-CD1 3.48Å; Y132-F143 HydrophobicContact CE1-CD1 3.48Å; Y132-F143 VanDerWaalsContact CE1-CD1 3.48Å; Y132-F143 HydrophobicContact CE1-CE1 4.25Å; Y132-F143 AromaticContact CE1-CG 3.78Å; Y132-F143 HydrophobicContact CE1-CG 3.78Å; F143-G145 VanDerWaalsContact C-N 3.31Å; F143-G145 PolarHBondContact O-N 3.24Å; F143-S146 PolarHBondContact O-N 3.28Å; F143-S146 PolarHBondContact O-OG 2.9Å |
| 144 | G | 64.4 | Low | 70.4 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 22% | 0.216 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 20.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S146 L168 Y169 C170 | G144-S146 VanDerWaalsContact C-N 3.25Å; G144-S146 PolarHBondContact O-N 3.3Å; G144-L168 WeakPolarHBondContact CA-O 3.08Å; G144-Y169 CarbonylContact O-C 3.55Å; G144-Y169 WeakPolarHBondContact O-CA 3.07Å; G144-Y169 VanDerWaalsContact O-CB 3.26Å; G144-Y169 WeakPolarHBondContact O-CB 3.38Å; G144-C170 PolarHBondContact O-N 3.25Å |
| 145 | G | 67.1 | Low | 70.4 | Confident | 52 Ų | 52 | 69 Ų | 69 | 54% | 0.536 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 9.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F143 P158 | F143-G145 VanDerWaalsContact C-N 3.31Å; F143-G145 PolarHBondContact O-N 3.24Å; G145-P158 VanDerWaalsContact O-CD 3.28Å; G145-P158 WeakPolarHBondContact O-CD 3.41Å |
| 146 | S | 78.9 | Confident | 70.4 | Confident | 8 Ų | 8 | 68.2 Ų | 68.2 | 6% | 0.056 | 38% | 0.384 | C | S | . | . | trans | -70.8 | 154.4 | 160.7 | 59 | 0 | 0 | 0 | 0 | 110.7 | C142 F143 G144 K156 | C142-S146 WeakPolarHBondContact CB-O 3.26Å; F143-S146 PolarHBondContact O-N 3.28Å; F143-S146 PolarHBondContact O-OG 2.9Å; G144-S146 VanDerWaalsContact C-N 3.25Å; G144-S146 PolarHBondContact O-N 3.3Å; S146-K156 CarbonylContact C-O 3.4Å; S146-K156 WeakPolarHBondContact CA-O 3.17Å; S146-K156 VanDerWaalsContact CB-O 3.23Å; S146-K156 WeakPolarHBondContact CB-O 3.46Å | ||
| 147 | V | 76 | Confident | 70.5 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 149.4 | 178.4 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | C142 D149 C155 K156 P158 | C142-V147 VanDerWaalsContact SG-C 3.58Å; V147-D149 PolarHBondContact O-N 3.4Å; V147-C155 CarbonylContact O-C 3.57Å; V147-C155 WeakPolarHBondContact O-CA 3.45Å; V147-K156 PolarHBondContact N-O 3.08Å; V147-K156 PolarHBondContact O-N 2.65Å; V147-P158 HydrophobicContact CG2-CB 4.31Å; V147-P158 HydrophobicContact CG2-CG 4.27Å |
| 148 | C | 78.7 | Confident | 70.6 | Confident | 43 Ų | 43 | 67.8 Ų | 67.8 | 29% | 0.291 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 117.3 | 172.8 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | C137 C142 D150 | C137-C148 HydrophobicContact CB-CB 3.55Å; C137-C148 WeakPolarHBondContact CB-SG 3.2Å; C137-C148 WeakPolarHBondContact SG-CA 3.42Å; C137-C148 WeakPolarHBondContact SG-CB 3.44Å; C137-C148 CovalentContact SG-SG 2.03Å; C137-C148 PolarHBondContact SG-SG 2.71Å; C142-C148 PolarHBondContact SG-N 3.48Å; C148-D150 PolarHBondContact O-N 3.07Å |
| 149 | D | 74.9 | Confident | 70.5 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 22% | 0.219 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 103 | 169.4 | 172.8 | -3.9 | 0 | 0 | 0 | 107.7 | V147 E151 T152 E153 L154 K156 | V147-D149 PolarHBondContact O-N 3.4Å; D149-E151 PolarHBondContact O-N 3.27Å; D149-E151 PolarHBondContact OD1-N 2.95Å; D149-T152 PolarHBondContact O-N 2.85Å; D149-T152 PolarHBondContact OD1-N 3.13Å; D149-T152 PolarHBondContact OD2-OG1 2.98Å; D149-E153 WeakPolarHBondContact O-CA 3.48Å; D149-E153 PolarHBondContact O-N 2.76Å; D149-L154 VanDerWaalsContact CB-O 3.32Å; D149-L154 WeakPolarHBondContact CB-O 3.37Å; D149-L154 PolarHBondContact N-O 2.92Å; D149-K156 HydrophobicContact CB-CD 4.17Å; D149-K156 HydrophobicContact CB-CG 4.38Å; D149-K156 WeakPolarHBondContact OD2-CD 3.46Å; D149-K156 VanDerWaalsContact OD2-CE 3.26Å; D149-K156 WeakPolarHBondContact OD2-CE 3.27Å; D149-K156 IonicContact OD2-NZ 2.8Å; D149-K156 PolarHBondContact OD2-NZ 3.11Å |
| 150 | D | 66.7 | Low | 70.6 | Confident | 147 Ų | 147 | 71.2 Ų | 71.2 | 79% | 0.786 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.4 | -176.6 | -67.9 | -38.4 | 0 | 0 | 0 | 113.4 | C148 | C148-D150 PolarHBondContact O-N 3.07Š|
| 151 | E | 65.6 | Low | 71 | Confident | 185 Ų | 185 | 72.4 Ų | 72.4 | 86% | 0.864 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -35 | 176 | -67.1 | -163.9 | 157.5 | 0 | 0 | 112.9 | D149 | D149-E151 PolarHBondContact O-N 3.27Å; D149-E151 PolarHBondContact OD1-N 2.95Å |
| 152 | T | 75.5 | Confident | 70.8 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 2.1 | -175.9 | 69.6 | 0 | 0 | 0 | 0 | 114.6 | D149 L154 K156 | D149-T152 PolarHBondContact O-N 2.85Å; D149-T152 PolarHBondContact OD1-N 3.13Å; D149-T152 PolarHBondContact OD2-OG1 2.98Å; T152-L154 PolarHBondContact O-N 2.76Å; T152-K156 WeakPolarHBondContact OG1-CE 3.42Å; T152-K156 PolarHBondContact OG1-NZ 3.13Å |
| 153 | E | 71.1 | Confident | 70.3 | Confident | 102 Ų | 102 | 70 Ų | 70 | 48% | 0.477 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 39.6 | -172.2 | -60 | -168.6 | 159.4 | 0 | 0 | 112.8 | P136 C137 N138 D149 | P136-E153 CarbonylContact C-O 3.5Å; P136-E153 WeakPolarHBondContact CA-O 3.44Å; C137-E153 PolarHBondContact N-O 2.85Å; N138-E153 PolarHBondContact ND2-OE1 3.42Å; N138-E153 PolarHBondContact ND2-OE2 2.89Å; D149-E153 WeakPolarHBondContact O-CA 3.48Å; D149-E153 PolarHBondContact O-N 2.76Å |
| 154 | L | 78.3 | Confident | 69.7 | Low | 53 Ų | 53 | 66.8 Ų | 66.8 | 28% | 0.277 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.5 | -179.8 | -75.1 | 163.2 | 0 | 0 | 0 | 112 | C137 D149 T152 K156 | C137-L154 VanDerWaalsContact SG-C 3.53Å; C137-L154 PolarHBondContact SG-N 3.44Å; D149-L154 VanDerWaalsContact CB-O 3.32Å; D149-L154 WeakPolarHBondContact CB-O 3.37Å; D149-L154 PolarHBondContact N-O 2.92Å; T152-L154 PolarHBondContact O-N 2.76Å; L154-K156 HydrophobicContact CB-CG 4.11Å; L154-K156 PolarHBondContact O-N 2.75Å |
| 155 | C | 72.9 | Confident | 68.6 | Low | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 95.7 | 169.2 | -73.2 | 0 | 0 | 0 | 0 | 109.1 | S131 Y132 V133 N134 Q135 C137 C142 V147 | S131-C155 WeakPolarHBondContact CB-SG 3.42Å; S131-C155 PolarHBondContact O-SG 2.78Å; Y132-C155 WeakPolarHBondContact O-CB 3.01Å; V133-C155 CarbonylContact C-O 3.48Å; V133-C155 VanDerWaalsContact CA-O 3.3Å; V133-C155 WeakPolarHBondContact CA-O 3.41Å; N134-C155 PolarHBondContact N-O 2.95Å; Q135-C155 PolarHBondContact O-N 2.81Å; C137-C155 HydrophobicContact CB-CB 4.29Å; C137-C155 WeakPolarHBondContact CB-SG 3.38Å; C142-C155 WeakPolarHBondContact CA-SG 3.49Å; C142-C155 HydrophobicContact CB-CB 3.77Å; C142-C155 WeakPolarHBondContact CB-SG 3.27Å; C142-C155 VanDerWaalsContact SG-CA 3.51Å; C142-C155 WeakPolarHBondContact SG-CB 3.14Å; C142-C155 CovalentContact SG-SG 2.04Å; C142-C155 PolarHBondContact SG-SG 2.92Å; V147-C155 CarbonylContact O-C 3.57Å; V147-C155 WeakPolarHBondContact O-CA 3.45Å |
| 156 | K | 77.4 | Confident | 67.7 | Low | 69 Ų | 69 | 75.9 Ų | 75.9 | 30% | 0.3 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 157.2 | 179.7 | -69.4 | -176.4 | -170.6 | 162 | 0 | 111.4 | S146 V147 D149 T152 L154 | S146-K156 CarbonylContact C-O 3.4Å; S146-K156 WeakPolarHBondContact CA-O 3.17Å; S146-K156 VanDerWaalsContact CB-O 3.23Å; S146-K156 WeakPolarHBondContact CB-O 3.46Å; V147-K156 PolarHBondContact N-O 3.08Å; V147-K156 PolarHBondContact O-N 2.65Å; D149-K156 HydrophobicContact CB-CD 4.17Å; D149-K156 HydrophobicContact CB-CG 4.38Å; D149-K156 WeakPolarHBondContact OD2-CD 3.46Å; D149-K156 VanDerWaalsContact OD2-CE 3.26Å; D149-K156 WeakPolarHBondContact OD2-CE 3.27Å; D149-K156 IonicContact OD2-NZ 2.8Å; D149-K156 PolarHBondContact OD2-NZ 3.11Å; T152-K156 WeakPolarHBondContact OG1-CE 3.42Å; T152-K156 PolarHBondContact OG1-NZ 3.13Å; L154-K156 HydrophobicContact CB-CG 4.11Å; L154-K156 PolarHBondContact O-N 2.75Å |
| 157 | C | 78.3 | Confident | 66.1 | Low | 23 Ų | 23 | 77.2 Ų | 77.2 | 16% | 0.155 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 130.9 | 167.5 | -69.1 | 0 | 0 | 0 | 0 | 109.8 | V133 T161 A163 C170 | V133-C157 VanDerWaalsContact CG1-SG 3.57Å; C157-T161 WeakPolarHBondContact CB-O 3.38Å; C157-T161 WeakPolarHBondContact CB-OG1 3.14Å; C157-A163 PolarHBondContact SG-N 2.04Å; C157-C170 WeakPolarHBondContact CA-SG 3.23Å; C157-C170 HydrophobicContact CB-CB 3.71Å; C157-C170 WeakPolarHBondContact CB-SG 3.49Å; C157-C170 VanDerWaalsContact SG-CA 3.52Å; C157-C170 WeakPolarHBondContact SG-CB 3.2Å; C157-C170 CovalentContact SG-SG 2.04Å; C157-C170 PolarHBondContact SG-SG 2.8Å |
| 158 | P | 73 | Confident | 65.3 | Low | 53 Ų | 53 | 78 Ų | 78 | 34% | 0.344 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 152 | -179.7 | 25.8 | -34.3 | 0 | 0 | 0 | 111.3 | G145 V147 G160 T161 | G145-P158 VanDerWaalsContact O-CD 3.28Å; G145-P158 WeakPolarHBondContact O-CD 3.41Å; V147-P158 HydrophobicContact CG2-CB 4.31Å; V147-P158 HydrophobicContact CG2-CG 4.27Å; P158-G160 PolarHBondContact O-N 3Å; P158-T161 VanDerWaalsContact CD-OG1 3.29Å; P158-T161 WeakPolarHBondContact CD-OG1 3.4Å; P158-T161 PolarHBondContact O-N 3.31Å; P158-T161 PolarHBondContact O-OG1 3.19Å |
| 159 | H | 59.3 | Low | 64.4 | Low | 203 Ų | 203 | 81.9 Ų | 81.9 | 94% | 0.94 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 134 | -178.4 | -83.2 | -105 | 0 | 0 | 0 | 112.2 | ||
| 160 | G | 58.9 | Low | 64 | Low | 47 Ų | 47 | 81.1 Ų | 81.1 | 49% | 0.485 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -3.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P158 A172 I173 | P158-G160 PolarHBondContact O-N 3Å; G160-A172 WeakPolarHBondContact O-CA 3.38Å; G160-I173 PolarHBondContact O-N 3.08Å |
| 161 | T | 70.8 | Confident | 63.7 | Low | 38 Ų | 38 | 78.7 Ų | 78.7 | 23% | 0.233 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144.2 | 173.4 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | C157 P158 Q171 | C157-T161 WeakPolarHBondContact CB-O 3.38Å; C157-T161 WeakPolarHBondContact CB-OG1 3.14Å; P158-T161 VanDerWaalsContact CD-OG1 3.29Å; P158-T161 WeakPolarHBondContact CD-OG1 3.4Å; P158-T161 PolarHBondContact O-N 3.31Å; P158-T161 PolarHBondContact O-OG1 3.19Å; T161-Q171 CarbonylContact C-O 3.56Å; T161-Q171 WeakPolarHBondContact CA-O 3.48Å; T161-Q171 WeakPolarHBondContact CB-O 3.47Å |
| 162 | I | 65.2 | Low | 62.9 | Low | 95 Ų | 95 | 72.9 Ų | 72.9 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 155.4 | 173.3 | 47.1 | 175.3 | 0 | 0 | 0 | 110.8 | S164 C170 Q171 I173 | I162-S164 PolarHBondContact O-N 2.75Å; I162-C170 WeakPolarHBondContact O-CA 3.46Å; I162-Q171 PolarHBondContact N-O 2.8Å; I162-Q171 PolarHBondContact O-N 2.92Å; I162-I173 HydrophobicContact CB-CG1 4.3Å; I162-I173 HydrophobicContact CD1-CG1 4.39Å; I162-I173 HydrophobicContact CG1-CG1 3.96Å; I162-I173 HydrophobicContact CG2-CD1 3.86Å; I162-I173 HydrophobicContact CG2-CG1 3.76Å |
| 163 | A | 60.1 | Low | 61.3 | Low | 41 Ų | 41 | 74.2 Ų | 74.2 | 34% | 0.339 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 117.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | V133 C157 N165 | V133-A163 HydrophobicContact CG1-CB 3.95Å; C157-A163 PolarHBondContact SG-N 2.04Å; A163-N165 PolarHBondContact O-N 3.24Å |
| 164 | S | 51.5 | Low | 59.3 | Low | 33 Ų | 33 | 74.9 Ų | 74.9 | 23% | 0.231 | 44% | 0.44 | C | S | . | . | trans | -76.8 | 121 | -177.9 | -165.3 | 0 | 0 | 0 | 0 | 110 | I162 G166 S167 Y169 Q171 | I162-S164 PolarHBondContact O-N 2.75Å; S164-G166 PolarHBondContact O-N 2.7Å; S164-S167 WeakPolarHBondContact CB-OG 3.47Å; S164-S167 PolarHBondContact O-N 3.15Å; S164-S167 PolarHBondContact O-OG 3.14Å; S164-Y169 PolarHBondContact N-O 2.93Å; S164-Q171 VanDerWaalsContact CB-OE1 3.24Å; S164-Q171 PolarHBondContact OG-OE1 2.8Å | ||
| 165 | N | 40.7 | Very low | 57 | Low | 172 Ų | 172 | 78.8 Ų | 78.8 | 92% | 0.92 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.5 | 116.4 | -164.9 | -88.2 | -28.9 | 0 | 0 | 0 | 113.6 | A163 | A163-N165 PolarHBondContact O-N 3.24Š|
| 166 | G | 48.1 | Very low | 54.6 | Low | 93 Ų | 93 | 87.3 Ų | 87.3 | 96% | 0.959 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 0.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S164 | S164-G166 PolarHBondContact O-N 2.7Š|
| 167 | S | 45.5 | Very low | 52 | Low | 36 Ų | 36 | 93.1 Ų | 93.1 | 25% | 0.252 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -120.4 | 145.1 | -180 | 75 | 0 | 0 | 0 | 0 | 112.8 | S164 Y169 | S164-S167 WeakPolarHBondContact CB-OG 3.47Å; S164-S167 PolarHBondContact O-N 3.15Å; S164-S167 PolarHBondContact O-OG 3.14Å; S167-Y169 PolarHBondContact O-N 3.29Å; S167-Y169 VanDerWaalsContact O-N 3.11Å |
| 168 | L | 58.4 | Low | 49.2 | Very low | 103 Ų | 103 | 98.7 Ų | 98.7 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -87.1 | 35.6 | -171 | -63.1 | 171 | 0 | 0 | 0 | 113.3 | Y132 G144 | Y132-L168 HydrophobicContact CD1-CB 3.93Å; Y132-L168 HydrophobicContact CD1-CD1 3.99Å; Y132-L168 HydrophobicContact CD1-CD2 4.41Å; Y132-L168 HydrophobicContact CD1-CG 4.34Å; Y132-L168 HydrophobicContact CE1-CD1 4.18Å; Y132-L168 HydrophobicContact CG-CD1 4.46Å; Y132-L168 HydrophobicContact CG-CD2 4.37Å; G144-L168 WeakPolarHBondContact CA-O 3.08Å |
| 169 | Y | 60.3 | Low | 46.8 | Very low | 124 Ų | 124 | 103.6 Ų | 103.6 | 49% | 0.486 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -148.2 | 162 | 178.7 | 69.3 | -88.6 | 0 | 0 | 0 | 113 | G144 S164 S167 | G144-Y169 CarbonylContact O-C 3.55Å; G144-Y169 WeakPolarHBondContact O-CA 3.07Å; G144-Y169 VanDerWaalsContact O-CB 3.26Å; G144-Y169 WeakPolarHBondContact O-CB 3.38Å; S164-Y169 PolarHBondContact N-O 2.93Å; S167-Y169 PolarHBondContact O-N 3.29Å; S167-Y169 VanDerWaalsContact O-N 3.11Å |
| 170 | C | 67.7 | Low | 45.1 | Very low | 24 Ų | 24 | 101.5 Ų | 101.5 | 16% | 0.162 | 58% | 0.584 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 133.8 | -174.9 | -58 | 0 | 0 | 0 | 0 | 111.6 | G144 C157 I162 | G144-C170 PolarHBondContact O-N 3.25Å; C157-C170 WeakPolarHBondContact CA-SG 3.23Å; C157-C170 HydrophobicContact CB-CB 3.71Å; C157-C170 WeakPolarHBondContact CB-SG 3.49Å; C157-C170 VanDerWaalsContact SG-CA 3.52Å; C157-C170 WeakPolarHBondContact SG-CB 3.2Å; C157-C170 CovalentContact SG-SG 2.04Å; C157-C170 PolarHBondContact SG-SG 2.8Å; I162-C170 WeakPolarHBondContact O-CA 3.46Å |
| 171 | Q | 59 | Low | 43.4 | Very low | 96 Ų | 96 | 107.2 Ų | 107.2 | 45% | 0.449 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.5 | -179.7 | -179.4 | 175.8 | -18 | 0 | 0 | 109.7 | T161 I162 S164 I173 | T161-Q171 CarbonylContact C-O 3.56Å; T161-Q171 WeakPolarHBondContact CA-O 3.48Å; T161-Q171 WeakPolarHBondContact CB-O 3.47Å; I162-Q171 PolarHBondContact N-O 2.8Å; I162-Q171 PolarHBondContact O-N 2.92Å; S164-Q171 VanDerWaalsContact CB-OE1 3.24Å; S164-Q171 PolarHBondContact OG-OE1 2.8Å; Q171-I173 PolarHBondContact O-N 2.99Å |
| 172 | A | 49 | Very low | 41.1 | Very low | 63 Ų | 63 | 112.7 Ų | 112.7 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -60.1 | 134.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G160 | G160-A172 WeakPolarHBondContact O-CA 3.38Å |
| 173 | I | 41.6 | Very low | 39.2 | Very low | 91 Ų | 91 | 115 Ų | 115 | 47% | 0.467 | 63% | 0.633 | S | S | . | * | trans | -71.4 | 128.2 | 170.8 | -53 | 167.4 | 0 | 0 | 0 | 107.3 | G160 I162 Q171 | G160-I173 PolarHBondContact O-N 3.08Å; I162-I173 HydrophobicContact CB-CG1 4.3Å; I162-I173 HydrophobicContact CD1-CG1 4.39Å; I162-I173 HydrophobicContact CG1-CG1 3.96Å; I162-I173 HydrophobicContact CG2-CD1 3.86Å; I162-I173 HydrophobicContact CG2-CG1 3.76Å; Q171-I173 PolarHBondContact O-N 2.99Å | ||
| 174 | V | 30.2 | Very low | 37.5 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 70% | 0.697 | 65% | 0.648 | S | S | * | * | trans | -117 | 133.5 | 168.2 | -177.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 175 | D | 29.5 | Very low | 36.2 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | trans | 88.5 | 148.1 | 176.9 | -55.6 | -33.5 | 0 | 0 | 0 | 119.6 | ||||
| 176 | Q | 22.1 | Very low | 35.3 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 84% | 0.841 | 67% | 0.67 | S | S | * | * | trans | 78.4 | 84.1 | 163.1 | -45.3 | -157.2 | 5.1 | 0 | 0 | 119.2 | ||||
| 177 | M | 22.3 | Very low | 34.3 | Very low | 190 Ų | 190 | 128.6 Ų | 128.6 | 94% | 0.936 | 67% | 0.667 | S | S | * | * | trans | 19.5 | 117.4 | 135.3 | -62.6 | 173.7 | 175.7 | 0 | 0 | 118.8 | ||||
| 178 | T | 20.7 | Very low | 33.2 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 86% | 0.859 | 68% | 0.682 | S | S | * | * | trans | -121.1 | 136.1 | 151.4 | 50.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 179 | L | 22.8 | Very low | 31.5 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | trans | -85.9 | 147.9 | 171.8 | -60.1 | 90.9 | 0 | 0 | 0 | 109.5 | ||||
| 180 | D | 22.5 | Very low | 29.8 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 71% | 0.709 | S | S | * | * | trans | 160.7 | 137.6 | 160.8 | -83.5 | -20 | 0 | 0 | 0 | 106.2 | ||||
| 181 | E | 22.9 | Very low | 27.8 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | cis | -145.1 | 157.7 | -0.5 | -104.1 | -177.3 | 151.5 | 0 | 0 | 110.4 | ||||
| 182 | H | 23.1 | Very low | 27.1 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | trans | 43.1 | 115.6 | 153 | -78.8 | -65.6 | 0 | 0 | 0 | 125.2 | ||||
| 183 | D | 26.3 | Very low | 27.4 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | 84.2 | 147.6 | 128.6 | -77.7 | 34.3 | 0 | 0 | 0 | 122.8 | |||||
| 184 | P | 22.8 | Very low | 28.9 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | trans | -121 | 159.3 | -157.5 | 40 | -24.9 | 0 | 0 | 0 | 115.1 | ||||
| 185 | F | 24.6 | Very low | 31.5 | Very low | 215 Ų | 215 | 140.3 Ų | 140.3 | 94% | 0.943 | 71% | 0.71 | S | S | * | * | trans | -133 | 104.1 | 146.9 | -108.1 | -88.7 | 0 | 0 | 0 | 108.9 | ||||
| 186 | E | 22.7 | Very low | 33.9 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 67% | 0.673 | 68% | 0.678 | S | S | * | * | trans | -76.5 | 139.9 | 158.9 | -67.5 | -171.1 | 91.7 | 0 | 0 | 109.1 | Q188 | E186-Q188 HydrophobicContact CB-CG 4.46Å; E186-Q188 PolarHBondContact OE1-NE2 3.1Å | ||
| 187 | D | 25.9 | Very low | 36.4 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 89% | 0.893 | 67% | 0.666 | S | S | * | * | trans | -131.2 | 140.2 | 138.3 | -163.6 | 2.8 | 0 | 0 | 0 | 107.8 | ||||
| 188 | Q | 21.9 | Very low | 39.3 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 56% | 0.561 | 64% | 0.642 | S | S | * | * | trans | -114 | 171.7 | -162 | -67.9 | -169.7 | -2.7 | 0 | 0 | 113 | E186 | E186-Q188 HydrophobicContact CB-CG 4.46Å; E186-Q188 PolarHBondContact OE1-NE2 3.1Å | ||
| 189 | T | 23.4 | Very low | 42.1 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 74% | 0.742 | 62% | 0.621 | S | S | * | * | trans | 75.8 | 87.7 | 159.8 | 73.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 190 | K | 24.6 | Very low | 44.9 | Very low | 195 Ų | 195 | 112.1 Ų | 112.1 | 85% | 0.848 | 58% | 0.583 | S | S | * | * | -176.5 | 97.4 | 106.2 | -98.2 | 166.5 | -177.3 | 173.7 | 0 | 111.4 | |||||
| 191 | I | 26.4 | Very low | 47.2 | Very low | 143 Ų | 143 | 113.2 Ų | 113.2 | 73% | 0.733 | 58% | 0.575 | S | S | * | * | trans | -95.5 | 98.4 | 165.5 | -57.7 | 176.7 | 0 | 0 | 0 | 107.6 | N205 | I191-N205 HydrophobicContact CG2-CB 4.34Š| ||
| 192 | T | 43.3 | Very low | 48.8 | Very low | 76 Ų | 76 | 112.3 Ų | 112.3 | 47% | 0.466 | 58% | 0.576 | S | S | . | * | trans | -67.9 | 146 | 165.2 | 28.3 | 0 | 0 | 0 | 0 | 110 | E204 N205 | T192-E204 WeakPolarHBondContact CB-OE1 3.44Å; T192-E204 PolarHBondContact OG1-OE1 3.37Å; T192-N205 PolarHBondContact O-N 2.78Å | ||
| 193 | K | 56.4 | Low | 50.4 | Low | 160 Ų | 160 | 108.3 Ų | 108.3 | 70% | 0.696 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.7 | -177.5 | -70.5 | 176.2 | 174.8 | -178.3 | 0 | 109.1 | T207 | K193-T207 HydrophobicContact CB-CG2 4.01Å; K193-T207 HydrophobicContact CD-CG2 4.16Å; K193-T207 HydrophobicContact CG-CG2 4.05Å |
| 194 | A | 71.8 | Confident | 52.8 | Low | 0 Ų | 0 | 103.9 Ų | 103.9 | 0% | 0 | 55% | 0.551 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 136.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N198 E204 N205 C206 T207 C219 | A194-N198 HydrophobicContact CB-CB 4.03Å; A194-E204 HydrophobicContact CB-CB 4.07Å; A194-N205 PolarHBondContact N-O 3.2Å; A194-C206 CarbonylContact O-C 3.49Å; A194-C206 WeakPolarHBondContact O-CA 3.02Å; A194-T207 PolarHBondContact O-N 3.37Å; A194-T207 PolarHBondContact O-OG1 3.16Å; A194-C219 WeakPolarHBondContact CB-SG 3.1Å |
| 195 | L | 85.5 | Confident | 55.2 | Low | 82 Ų | 82 | 104.3 Ų | 104.3 | 43% | 0.429 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 166.4 | 170.7 | -69.6 | 170.8 | 0 | 0 | 0 | 109.4 | G197 N198 C219 | L195-G197 PolarHBondContact O-N 2.86Å; L195-N198 WeakPolarHBondContact O-CB 2.99Å; L195-N198 PolarHBondContact O-N 2.99Å; L195-C219 VanDerWaalsContact O-CB 3.31Å; L195-C219 WeakPolarHBondContact O-CB 3.4Å |
| 196 | P | 80.7 | Confident | 57.8 | Low | 8 Ų | 8 | 94.9 Ų | 94.9 | 5% | 0.052 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | 138.9 | 165.5 | -20.1 | 29.3 | 0 | 0 | 0 | 110.7 | N198 D227 G230 | P196-N198 VanDerWaalsContact C-N 3.29Å; P196-N198 PolarHBondContact O-N 3.09Å; P196-D227 HydrophobicContact CB-CB 3.93Å; P196-G230 WeakPolarHBondContact CD-O 3.39Å |
| 197 | G | 74.7 | Confident | 60.6 | Low | 56 Ų | 56 | 89.9 Ų | 89.9 | 58% | 0.577 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -18.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L195 C219 | L195-G197 PolarHBondContact O-N 2.86Å; G197-C219 PolarHBondContact N-O 3.5Å |
| 198 | N | 82.6 | Confident | 63.1 | Low | 84 Ų | 84 | 83.1 Ų | 83.1 | 45% | 0.449 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -83.5 | 156.5 | 178.1 | -77.2 | -9.5 | 0 | 0 | 0 | 113.1 | A194 L195 P196 V218 C219 | A194-N198 HydrophobicContact CB-CB 4.03Å; L195-N198 WeakPolarHBondContact O-CB 2.99Å; L195-N198 PolarHBondContact O-N 2.99Å; P196-N198 VanDerWaalsContact C-N 3.29Å; P196-N198 PolarHBondContact O-N 3.09Å; N198-V218 WeakPolarHBondContact O-CA 3.04Å; N198-C219 PolarHBondContact O-N 3.11Å |
| 199 | S | 78.3 | Confident | 65.7 | Low | 59 Ų | 59 | 80.3 Ų | 80.3 | 41% | 0.413 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -73.8 | 127.8 | 177.6 | 177.7 | 0 | 0 | 0 | 0 | 112 | R201 G217 | S199-R201 PolarHBondContact OG-N 2.85Å; S199-G217 CarbonylContact C-O 3.54Å; S199-G217 WeakPolarHBondContact CA-O 3.46Å; S199-G217 PolarHBondContact OG-O 2.9Å |
| 200 | C | 81.5 | Confident | 68.6 | Low | 4 Ų | 4 | 75.1 Ų | 75.1 | 3% | 0.027 | 43% | 0.429 | C | S | . | . | trans | -100 | 5.8 | 171.9 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | N202 G203 E204 C212 G217 | C200-N202 PolarHBondContact O-N 3.24Å; C200-G203 PolarHBondContact O-N 3.15Å; C200-E204 WeakPolarHBondContact CB-O 3.44Å; C200-C212 HydrophobicContact CB-CB 3.82Å; C200-C212 WeakPolarHBondContact CB-SG 3.3Å; C200-C212 VanDerWaalsContact SG-CA 3.51Å; C200-C212 WeakPolarHBondContact SG-CB 3.27Å; C200-C212 CovalentContact SG-SG 2.04Å; C200-C212 PolarHBondContact SG-SG 3.14Å; C200-G217 PolarHBondContact N-O 3.11Å; C200-G217 PolarHBondContact SG-O 2.94Å | ||
| 201 | R | 71.7 | Confident | 71.3 | Confident | 181 Ų | 181 | 69.6 Ų | 69.6 | 68% | 0.683 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -22.2 | -173.8 | -70.8 | -174.6 | -179.2 | -163.5 | -0.7 | 115.9 | S199 T216 G217 | S199-R201 PolarHBondContact OG-N 2.85Å; R201-T216 VanDerWaalsContact CZ-O 3.28Å; R201-T216 PolarHBondContact NE-O 2.98Å; R201-T216 PolarHBondContact NH2-O 3.44Å; R201-G217 PolarHBondContact N-O 2.97Å |
| 202 | N | 57.1 | Low | 73.8 | Confident | 147 Ų | 147 | 64.7 Ų | 64.7 | 79% | 0.786 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 14.8 | 179.1 | -63.9 | -16.7 | 0 | 0 | 0 | 113.4 | C200 E204 | C200-N202 PolarHBondContact O-N 3.24Å; N202-E204 HydrophobicContact CB-CG 4.41Å |
| 203 | G | 55.8 | Low | 75.6 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 71% | 0.711 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 80.9 | 16.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | C200 | C200-G203 PolarHBondContact O-N 3.15Š|
| 204 | E | 77 | Confident | 76 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 131 | 176.9 | -53.4 | -156.8 | 153.9 | 0 | 0 | 110.3 | T192 A194 C200 N202 C206 | T192-E204 WeakPolarHBondContact CB-OE1 3.44Å; T192-E204 PolarHBondContact OG1-OE1 3.37Å; A194-E204 HydrophobicContact CB-CB 4.07Å; C200-E204 WeakPolarHBondContact CB-O 3.44Å; N202-E204 HydrophobicContact CB-CG 4.41Å; E204-C206 PolarHBondContact O-N 3.46Å |
| 205 | N | 73.1 | Confident | 75.6 | Confident | 108 Ų | 108 | 68.8 Ų | 68.8 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 127.5 | -175.4 | -164.6 | 7.7 | 0 | 0 | 0 | 110.2 | I191 T192 A194 | I191-N205 HydrophobicContact CG2-CB 4.34Å; T192-N205 PolarHBondContact O-N 2.78Å; A194-N205 PolarHBondContact N-O 3.2Å |
| 206 | C | 79.9 | Confident | 75.1 | Confident | 18 Ų | 18 | 67.9 Ų | 67.9 | 12% | 0.122 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 139.6 | 179.1 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | A194 E204 S210 C212 C219 | A194-C206 CarbonylContact O-C 3.49Å; A194-C206 WeakPolarHBondContact O-CA 3.02Å; E204-C206 PolarHBondContact O-N 3.46Å; C206-S210 VanDerWaalsContact CB-O 3.31Å; C206-S210 WeakPolarHBondContact CB-O 3.44Å; C206-C212 WeakPolarHBondContact SG-CA 3.45Å; C206-C212 VanDerWaalsContact SG-CB 3.53Å; C206-C212 PolarHBondContact SG-N 2.85Å; C206-C219 VanDerWaalsContact CA-SG 3.52Å; C206-C219 HydrophobicContact CB-CB 3.79Å; C206-C219 WeakPolarHBondContact CB-SG 3.37Å; C206-C219 VanDerWaalsContact SG-CA 3.51Å; C206-C219 WeakPolarHBondContact SG-CB 3.45Å; C206-C219 CovalentContact SG-SG 2.03Å; C206-C219 PolarHBondContact SG-SG 2.75Å |
| 207 | T | 81.7 | Confident | 74.9 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 23% | 0.233 | 42% | 0.422 | C | S | . | . | trans | -129.6 | -179.2 | -175.9 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | K193 A194 G209 S210 | K193-T207 HydrophobicContact CB-CG2 4.01Å; K193-T207 HydrophobicContact CD-CG2 4.16Å; K193-T207 HydrophobicContact CG-CG2 4.05Å; A194-T207 PolarHBondContact O-N 3.37Å; A194-T207 PolarHBondContact O-OG1 3.16Å; T207-G209 PolarHBondContact O-N 3.46Å; T207-G209 VanDerWaalsContact O-N 3.16Å; T207-S210 PolarHBondContact O-N 2.88Å; T207-S210 PolarHBondContact O-OG 2.92Å | ||
| 208 | G | 77.6 | Confident | 75.3 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 27% | 0.268 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 14.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G230 I231 C232 | G208-G230 WeakPolarHBondContact CA-O 3.43Å; G208-I231 CarbonylContact O-C 3.49Å; G208-I231 WeakPolarHBondContact O-CA 3.29Å; G208-C232 PolarHBondContact O-N 2.58Å |
| 209 | G | 77.3 | Confident | 75.4 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 62% | 0.619 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 10.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | T207 | T207-G209 PolarHBondContact O-N 3.46Å; T207-G209 VanDerWaalsContact O-N 3.16Å |
| 210 | S | 82.8 | Confident | 75.7 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | trans | -82.8 | 155.8 | 168.4 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | C206 T207 C219 I220 | C206-S210 VanDerWaalsContact CB-O 3.31Å; C206-S210 WeakPolarHBondContact CB-O 3.44Å; T207-S210 PolarHBondContact O-N 2.88Å; T207-S210 PolarHBondContact O-OG 2.92Å; S210-C219 WeakPolarHBondContact OG-CB 3.08Å; S210-I220 CarbonylContact C-O 3.54Å; S210-I220 WeakPolarHBondContact CA-O 3.03Å; S210-I220 VanDerWaalsContact CB-O 3.32Å; S210-I220 WeakPolarHBondContact CB-O 3.11Å | ||
| 211 | S | 82.2 | Confident | 75.9 | Confident | 79 Ų | 79 | 65.9 Ų | 65.9 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 144.2 | 175.1 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | D213 C219 I220 | S211-D213 PolarHBondContact O-N 3.26Å; S211-C219 CarbonylContact O-C 3.36Å; S211-C219 WeakPolarHBondContact O-CA 3.49Å; S211-I220 PolarHBondContact N-O 3.35Å; S211-I220 PolarHBondContact O-N 2.04Å |
| 212 | C | 79 | Confident | 75.8 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 28% | 0.277 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 113.5 | 173.1 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | C200 C206 L214 | C200-C212 HydrophobicContact CB-CB 3.82Å; C200-C212 WeakPolarHBondContact CB-SG 3.3Å; C200-C212 VanDerWaalsContact SG-CA 3.51Å; C200-C212 WeakPolarHBondContact SG-CB 3.27Å; C200-C212 CovalentContact SG-SG 2.04Å; C200-C212 PolarHBondContact SG-SG 3.14Å; C206-C212 WeakPolarHBondContact SG-CA 3.45Å; C206-C212 VanDerWaalsContact SG-CB 3.53Å; C206-C212 PolarHBondContact SG-N 2.85Å; C212-L214 PolarHBondContact O-N 3.07Å |
| 213 | D | 81 | Confident | 76 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 20% | 0.198 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 115.5 | 163.3 | 161.9 | 35 | 0 | 0 | 0 | 108.2 | S211 T215 T216 G217 V218 I220 | S211-D213 PolarHBondContact O-N 3.26Å; D213-T215 VanDerWaalsContact CG-OG1 3.25Å; D213-T215 PolarHBondContact O-N 3.45Å; D213-T215 WeakPolarHBondContact OD1-CB 3.46Å; D213-T215 PolarHBondContact OD1-N 2.92Å; D213-T215 PolarHBondContact OD1-OG1 2.73Å; D213-T215 PolarHBondContact OD2-OG1 3.17Å; D213-T216 VanDerWaalsContact OD2-CB 3.23Å; D213-T216 WeakPolarHBondContact OD2-CB 3.39Å; D213-T216 WeakPolarHBondContact OD2-CG2 3.34Å; D213-T216 PolarHBondContact OD2-N 3.12Å; D213-T216 PolarHBondContact OD2-OG1 2.88Å; D213-G217 WeakPolarHBondContact O-CA 3.4Å; D213-G217 PolarHBondContact O-N 2.04Å; D213-V218 PolarHBondContact N-O 2.05Å; D213-I220 HydrophobicContact CB-CD1 3.83Å; D213-I220 HydrophobicContact CB-CG1 4.1Å |
| 214 | L | 63.8 | Low | 76.1 | Confident | 161 Ų | 161 | 61 Ų | 61 | 84% | 0.843 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -15.6 | -179.1 | -63.1 | 174.6 | 0 | 0 | 0 | 113.3 | C212 | C212-L214 PolarHBondContact O-N 3.07Š|
| 215 | T | 64.8 | Low | 76.1 | Confident | 124 Ų | 124 | 62.5 Ų | 62.5 | 76% | 0.761 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -44.4 | -179.2 | 70.1 | 0 | 0 | 0 | 0 | 112.5 | D213 | D213-T215 VanDerWaalsContact CG-OG1 3.25Å; D213-T215 PolarHBondContact O-N 3.45Å; D213-T215 WeakPolarHBondContact OD1-CB 3.46Å; D213-T215 PolarHBondContact OD1-N 2.92Å; D213-T215 PolarHBondContact OD1-OG1 2.73Å; D213-T215 PolarHBondContact OD2-OG1 3.17Å |
| 216 | T | 74.9 | Confident | 76 | Confident | 62 Ų | 62 | 61.4 Ų | 61.4 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -27.6 | 170.7 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | R201 D213 V218 | R201-T216 VanDerWaalsContact CZ-O 3.28Å; R201-T216 PolarHBondContact NE-O 2.98Å; R201-T216 PolarHBondContact NH2-O 3.44Å; D213-T216 VanDerWaalsContact OD2-CB 3.23Å; D213-T216 WeakPolarHBondContact OD2-CB 3.39Å; D213-T216 WeakPolarHBondContact OD2-CG2 3.34Å; D213-T216 PolarHBondContact OD2-N 3.12Å; D213-T216 PolarHBondContact OD2-OG1 2.88Å; T216-V218 PolarHBondContact OG1-N 3.41Å |
| 217 | G | 75.4 | Confident | 75.8 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 6% | 0.062 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 33.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S199 C200 R201 D213 | S199-G217 CarbonylContact C-O 3.54Å; S199-G217 WeakPolarHBondContact CA-O 3.46Å; S199-G217 PolarHBondContact OG-O 2.9Å; C200-G217 PolarHBondContact N-O 3.11Å; C200-G217 PolarHBondContact SG-O 2.94Å; R201-G217 PolarHBondContact N-O 2.97Å; D213-G217 WeakPolarHBondContact O-CA 3.4Å; D213-G217 PolarHBondContact O-N 2.04Å |
| 218 | V | 83.7 | Confident | 75.2 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 27% | 0.267 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145 | -178.8 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | N198 D213 T216 I220 | N198-V218 WeakPolarHBondContact O-CA 3.04Å; D213-V218 PolarHBondContact N-O 2.05Å; T216-V218 PolarHBondContact OG1-N 3.41Å; V218-I220 HydrophobicContact CG1-CG2 4.47Å; V218-I220 PolarHBondContact O-N 3.26Å |
| 219 | C | 85.3 | Confident | 74.8 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.007 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 114.9 | 173.1 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | A194 L195 G197 N198 C206 S210 S211 | A194-C219 WeakPolarHBondContact CB-SG 3.1Å; L195-C219 VanDerWaalsContact O-CB 3.31Å; L195-C219 WeakPolarHBondContact O-CB 3.4Å; G197-C219 PolarHBondContact N-O 3.5Å; N198-C219 PolarHBondContact O-N 3.11Å; C206-C219 VanDerWaalsContact CA-SG 3.52Å; C206-C219 HydrophobicContact CB-CB 3.79Å; C206-C219 WeakPolarHBondContact CB-SG 3.37Å; C206-C219 VanDerWaalsContact SG-CA 3.51Å; C206-C219 WeakPolarHBondContact SG-CB 3.45Å; C206-C219 CovalentContact SG-SG 2.03Å; C206-C219 PolarHBondContact SG-SG 2.75Å; S210-C219 WeakPolarHBondContact OG-CB 3.08Å; S211-C219 CarbonylContact O-C 3.36Å; S211-C219 WeakPolarHBondContact O-CA 3.49Å |
| 220 | I | 84.5 | Confident | 74.3 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 150.3 | -177 | 59.7 | 167.7 | 0 | 0 | 0 | 112.5 | S210 S211 D213 V218 | S210-I220 CarbonylContact C-O 3.54Å; S210-I220 WeakPolarHBondContact CA-O 3.03Å; S210-I220 VanDerWaalsContact CB-O 3.32Å; S210-I220 WeakPolarHBondContact CB-O 3.11Å; S211-I220 PolarHBondContact N-O 3.35Å; S211-I220 PolarHBondContact O-N 2.04Å; D213-I220 HydrophobicContact CB-CD1 3.83Å; D213-I220 HydrophobicContact CB-CG1 4.1Å; V218-I220 HydrophobicContact CG1-CG2 4.47Å; V218-I220 PolarHBondContact O-N 3.26Å |
| 221 | C | 85.1 | Confident | 74 | Confident | 32 Ų | 32 | 76 Ų | 76 | 22% | 0.216 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -79 | 147.4 | 171 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | M225 C232 | C221-M225 WeakPolarHBondContact CB-O 3.34Å; C221-C232 WeakPolarHBondContact CA-SG 3.11Å; C221-C232 HydrophobicContact CB-CB 3.76Å; C221-C232 WeakPolarHBondContact CB-SG 3.31Å; C221-C232 VanDerWaalsContact SG-CA 3.51Å; C221-C232 WeakPolarHBondContact SG-CB 3.14Å; C221-C232 CovalentContact SG-SG 2.04Å; C221-C232 PolarHBondContact SG-SG 2.86Å |
| 222 | G | 70.8 | Confident | 73.6 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 43% | 0.433 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 167 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | G224 M225 | G222-G224 PolarHBondContact O-N 2.81Å; G222-M225 PolarHBondContact O-N 2.03Å; G222-M225 VanDerWaalsContact O-N 3.07Å |
| 223 | D | 61.3 | Low | 73 | Confident | 178 Ų | 178 | 72.8 Ų | 72.8 | 95% | 0.952 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | 126.5 | -175.5 | -69.4 | -53.1 | 0 | 0 | 0 | 113.6 | M225 | D223-M225 VanDerWaalsContact C-N 3.35Š|
| 224 | G | 56.6 | Low | 71.9 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 77% | 0.773 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 0.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G222 | G222-G224 PolarHBondContact O-N 2.81Š|
| 225 | M | 76.9 | Confident | 70.7 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144 | 172.6 | -64.3 | -163.8 | -67.1 | 0 | 0 | 112.3 | C221 G222 D223 C232 S233 A234 | C221-M225 WeakPolarHBondContact CB-O 3.34Å; G222-M225 PolarHBondContact O-N 2.03Å; G222-M225 VanDerWaalsContact O-N 3.07Å; D223-M225 VanDerWaalsContact C-N 3.35Å; M225-C232 HydrophobicContact CB-CB 4.29Å; M225-C232 HydrophobicContact CE-CB 4.41Å; M225-S233 CarbonylContact C-O 3.54Å; M225-S233 VanDerWaalsContact CA-O 3.3Å; M225-S233 WeakPolarHBondContact CA-O 3.45Å; M225-A234 HydrophobicContact CG-CB 4.37Å |
| 226 | V | 72.2 | Confident | 69.1 | Low | 85 Ų | 85 | 73.3 Ų | 73.3 | 52% | 0.515 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147.4 | 178 | -90.8 | 0 | 0 | 0 | 0 | 110 | H228 S233 | V226-H228 PolarHBondContact O-N 2.87Å; V226-S233 PolarHBondContact N-O 3.07Å; V226-S233 PolarHBondContact O-N 2.83Å; V226-S233 PolarHBondContact O-OG 3.17Å |
| 227 | D | 75.6 | Confident | 66.9 | Low | 83 Ų | 83 | 76.8 Ų | 76.8 | 44% | 0.444 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 128 | 173.3 | 178.9 | 33.8 | 0 | 0 | 0 | 110.7 | P196 G230 I231 | P196-D227 HydrophobicContact CB-CB 3.93Å; D227-G230 WeakPolarHBondContact OD1-CA 3.35Å; D227-G230 PolarHBondContact OD1-N 2.78Å; D227-I231 PolarHBondContact OD1-N 2.97Å |
| 228 | H | 68.7 | Low | 64.6 | Low | 121 Ų | 121 | 86.2 Ų | 86.2 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 107.3 | 171.9 | -164.4 | -39.9 | 0 | 0 | 0 | 107.7 | V226 G230 I231 S233 | V226-H228 PolarHBondContact O-N 2.87Å; H228-G230 PolarHBondContact O-N 2.93Å; H228-I231 PolarHBondContact N-O 2.04Å; H228-I231 PolarHBondContact O-N 3.29Å; H228-S233 WeakPolarHBondContact CB-OG 3.42Å |
| 229 | D | 68.2 | Low | 61.7 | Low | 147 Ų | 147 | 92.9 Ų | 92.9 | 79% | 0.786 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39.1 | -178.8 | -57.4 | -61.7 | 0 | 0 | 0 | 114.5 | ||
| 230 | G | 67.6 | Low | 58.7 | Low | 7 Ų | 7 | 102.2 Ų | 102.2 | 7% | 0.072 | 57% | 0.573 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 86.1 | 14.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P196 G208 D227 H228 | P196-G230 WeakPolarHBondContact CD-O 3.39Å; G208-G230 WeakPolarHBondContact CA-O 3.43Å; D227-G230 WeakPolarHBondContact OD1-CA 3.35Å; D227-G230 PolarHBondContact OD1-N 2.78Å; H228-G230 PolarHBondContact O-N 2.93Å |
| 231 | I | 77.2 | Confident | 55.7 | Low | 104 Ų | 104 | 105.7 Ų | 105.7 | 53% | 0.533 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130 | 123.9 | 173.7 | -55.8 | -179.8 | 0 | 0 | 0 | 109.7 | G208 D227 H228 S233 | G208-I231 CarbonylContact O-C 3.49Å; G208-I231 WeakPolarHBondContact O-CA 3.29Å; D227-I231 PolarHBondContact OD1-N 2.97Å; H228-I231 PolarHBondContact N-O 2.04Å; H228-I231 PolarHBondContact O-N 3.29Å; I231-S233 PolarHBondContact O-N 2.87Å |
| 232 | C | 72.6 | Confident | 52.6 | Low | 12 Ų | 12 | 112.1 Ų | 112.1 | 8% | 0.081 | 62% | 0.617 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.4 | 113.9 | 170.9 | -62 | 0 | 0 | 0 | 0 | 109.9 | G208 C221 M225 | G208-C232 PolarHBondContact O-N 2.58Å; C221-C232 WeakPolarHBondContact CA-SG 3.11Å; C221-C232 HydrophobicContact CB-CB 3.76Å; C221-C232 WeakPolarHBondContact CB-SG 3.31Å; C221-C232 VanDerWaalsContact SG-CA 3.51Å; C221-C232 WeakPolarHBondContact SG-CB 3.14Å; C221-C232 CovalentContact SG-SG 2.04Å; C221-C232 PolarHBondContact SG-SG 2.86Å; M225-C232 HydrophobicContact CB-CB 4.29Å; M225-C232 HydrophobicContact CE-CB 4.41Å |
| 233 | S | 67.4 | Low | 50.3 | Low | 39 Ų | 39 | 118 Ų | 118 | 27% | 0.273 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.9 | 149.9 | -174.4 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | M225 V226 H228 I231 | M225-S233 CarbonylContact C-O 3.54Å; M225-S233 VanDerWaalsContact CA-O 3.3Å; M225-S233 WeakPolarHBondContact CA-O 3.45Å; V226-S233 PolarHBondContact N-O 3.07Å; V226-S233 PolarHBondContact O-N 2.83Å; V226-S233 PolarHBondContact O-OG 3.17Å; H228-S233 WeakPolarHBondContact CB-OG 3.42Å; I231-S233 PolarHBondContact O-N 2.87Å |
| 234 | A | 57.1 | Low | 48.4 | Very low | 67 Ų | 67 | 116.4 Ų | 116.4 | 55% | 0.554 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 144.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | M225 | M225-A234 HydrophobicContact CG-CB 4.37Å |
| 235 | L | 38.2 | Very low | 46.8 | Very low | 139 Ų | 139 | 118.2 Ų | 118.2 | 73% | 0.728 | 62% | 0.62 | S | S | * | * | trans | -53.4 | 129.7 | 178.6 | -81.4 | 162.8 | 0 | 0 | 0 | 111.5 | T237 | L235-T237 PolarHBondContact O-N 2.81Š| ||
| 236 | P | 32.6 | Very low | 44.2 | Very low | 127 Ų | 127 | 124 Ų | 124 | 83% | 0.825 | 64% | 0.638 | S | S | * | * | trans | -70 | 105.9 | -165.3 | 25.4 | -34.5 | 0 | 0 | 0 | 112.7 | ||||
| 237 | T | 29 | Very low | 41.8 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 83% | 0.828 | 66% | 0.656 | S | S | * | * | trans | -82.1 | 148 | 167.8 | 42.1 | 0 | 0 | 0 | 0 | 110.7 | L235 Q239 | L235-T237 PolarHBondContact O-N 2.81Å; T237-Q239 PolarHBondContact O-N 3.4Å | ||
| 238 | K | 25.2 | Very low | 39.1 | Very low | 204 Ų | 204 | 130 Ų | 130 | 89% | 0.887 | 67% | 0.669 | S | S | * | * | trans | -67 | 122.1 | -167 | -69.9 | -178.3 | 177.6 | 179.2 | 0 | 113 | ||||
| 239 | Q | 23 | Very low | 36.7 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | 29 | 103.5 | 151.3 | -70.4 | 175.6 | -38.4 | 0 | 0 | 117.5 | T237 | T237-Q239 PolarHBondContact O-N 3.4Š| ||
| 240 | K | 22.1 | Very low | 34.4 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 86% | 0.861 | 68% | 0.681 | S | S | * | * | trans | -65 | 150.7 | 150.4 | -86.9 | -177.9 | 172.1 | -179.6 | 0 | 110.3 | ||||
| 241 | I | 21.7 | Very low | 32.3 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 82% | 0.815 | 72% | 0.719 | S | S | * | * | trans | -119.1 | 132.8 | 162.1 | -63.4 | 175.7 | 0 | 0 | 0 | 106.9 | ||||
| 242 | E | 19.9 | Very low | 29.6 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | -105.5 | 136.8 | 178.4 | -60.2 | -177.6 | 141.8 | 0 | 0 | 110.6 | ||||
| 243 | I | 22.8 | Very low | 27.4 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -138.5 | 143.3 | 160.9 | -63.1 | -174.5 | 0 | 0 | 0 | 108 | ||||
| 244 | N | 21.4 | Very low | 25.7 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -102.6 | 135.4 | -161.9 | -92.1 | -40.3 | 0 | 0 | 0 | 115.3 | ||||
| 245 | D | 23.7 | Very low | 25 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 60% | 0.604 | 80% | 0.799 | S | S | * | * | 66.9 | 143.5 | 126.4 | -134.9 | 4 | 0 | 0 | 0 | 123.2 | |||||
| 246 | R | 21.2 | Very low | 25.6 | Very low | 203 Ų | 203 | 145.7 Ų | 145.7 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | 60.3 | 113.9 | 155.5 | -71.4 | 167.6 | -138.7 | -132.5 | -5.3 | 122.3 | ||||
| 247 | K | 21.6 | Very low | 27.1 | Very low | 208 Ų | 208 | 139.8 Ų | 139.8 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | -175.9 | 173.9 | 81.9 | -116.8 | 170.1 | -177 | -177.8 | 0 | 112.3 | |||||
| 248 | A | 20.2 | Very low | 29.2 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | trans | -137.8 | 179.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 249 | E | 18.1 | Very low | 31.1 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | 73.7 | 140.8 | 174.4 | -47.9 | 176.5 | 167.9 | 0 | 0 | 114 | ||||
| 250 | T | 20 | Very low | 33.2 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | cis | -156.3 | 172.8 | 33.4 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 251 | S | 23 | Very low | 35.9 | Very low | 124 Ų | 124 | 116.7 Ų | 116.7 | 87% | 0.867 | 65% | 0.649 | S | S | * | * | trans | 77.3 | 158.4 | 156.6 | -56.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 252 | A | 22 | Very low | 38.3 | Very low | 92 Ų | 92 | 116.1 Ų | 116.1 | 76% | 0.76 | 64% | 0.643 | S | S | * | * | trans | -141.9 | -178 | -157.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 253 | V | 24.9 | Very low | 40.9 | Very low | 137 Ų | 137 | 108.4 Ų | 108.4 | 83% | 0.83 | 61% | 0.607 | S | S | * | * | trans | 83.3 | 87.8 | 169.3 | -166 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 254 | Q | 32.6 | Very low | 42.8 | Very low | 193 Ų | 193 | 105.3 Ų | 105.3 | 90% | 0.902 | 59% | 0.592 | S | S | * | * | -164.3 | 147.2 | 118.2 | -101.8 | 167.9 | 9.6 | 0 | 0 | 109.2 | |||||
| 255 | G | 42.2 | Very low | 44.6 | Very low | 62 Ų | 62 | 101.5 Ų | 101.5 | 64% | 0.639 | 59% | 0.587 | S | S | * | * | trans | -85.9 | 141.2 | -154.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 256 | A | 49.7 | Very low | 46.2 | Very low | 53 Ų | 53 | 104.7 Ų | 104.7 | 44% | 0.438 | 60% | 0.598 | S | S | . | * | trans | -105.9 | 145.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | S269 S271 | A256-S269 CarbonylContact C-O 3.55Å; A256-S269 VanDerWaalsContact CA-O 3.27Å; A256-S269 WeakPolarHBondContact CA-O 3.1Å; A256-S271 WeakPolarHBondContact CB-OG 3.44Å | ||
| 257 | A | 66 | Low | 47.8 | Very low | 2 Ų | 2 | 101.6 Ų | 101.6 | 2% | 0.017 | 60% | 0.595 | C | S | . | * | B | Isolated β-bridge | trans | -91 | 131.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E261 V268 S269 C270 S271 | A257-E261 WeakPolarHBondContact CA-OE2 3.03Å; A257-E261 HydrophobicContact CB-CB 4.01Å; A257-V268 HydrophobicContact CB-CG1 3.5Å; A257-S269 PolarHBondContact N-O 3.38Å; A257-C270 WeakPolarHBondContact O-CA 3.06Å; A257-S271 WeakPolarHBondContact O-CB 3.39Å; A257-S271 PolarHBondContact O-N 3.28Å; A257-S271 PolarHBondContact O-OG 2.04Å |
| 258 | D | 71.7 | Confident | 49.8 | Very low | 54 Ų | 54 | 94.1 Ų | 94.1 | 29% | 0.289 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -82.9 | 173.2 | 176.7 | -88 | -3.1 | 0 | 0 | 0 | 113 | G260 E261 S271 C281 N292 | D258-G260 PolarHBondContact O-N 2.89Å; D258-E261 HydrophobicContact CB-CG 4.5Å; D258-E261 PolarHBondContact N-OE2 3.37Å; D258-E261 WeakPolarHBondContact O-CB 3.45Å; D258-E261 PolarHBondContact O-N 2.04Å; D258-S271 WeakPolarHBondContact OD1-CB 3.49Å; D258-S271 PolarHBondContact OD1-OG 3.07Å; D258-C281 WeakPolarHBondContact O-CB 3.26Å; D258-N292 VanDerWaalsContact CG-ND2 3.3Å; D258-N292 PolarHBondContact OD2-ND2 3.38Å |
| 259 | L | 66.2 | Low | 51.9 | Low | 42 Ų | 42 | 93.9 Ų | 93.9 | 22% | 0.22 | 56% | 0.56 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63.4 | 121.4 | -172.7 | -91.1 | 134.7 | 0 | 0 | 0 | 112.7 | A274 N292 | L259-A274 HydrophobicContact CD1-CB 4.37Å; L259-A274 HydrophobicContact CD2-CB 4.08Å; L259-A274 HydrophobicContact CG-CB 3.96Å; L259-N292 WeakPolarHBondContact CD1-O 3.04Å |
| 260 | G | 66.1 | Low | 54.5 | Low | 36 Ų | 36 | 86.5 Ų | 86.5 | 37% | 0.371 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | -12.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | D258 R280 C281 | D258-G260 PolarHBondContact O-N 2.89Å; G260-R280 WeakPolarHBondContact O-CD 3.37Å; G260-R280 PolarHBondContact O-NH1 2.87Å; G260-C281 PolarHBondContact N-O 2.77Å |
| 261 | E | 78.4 | Confident | 57 | Low | 105 Ų | 105 | 81.7 Ų | 81.7 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -72.4 | 162.1 | 172.6 | -64.8 | -162.2 | 121.8 | 0 | 0 | 112.2 | A257 D258 C263 R280 C281 | A257-E261 WeakPolarHBondContact CA-OE2 3.03Å; A257-E261 HydrophobicContact CB-CB 4.01Å; D258-E261 HydrophobicContact CB-CG 4.5Å; D258-E261 PolarHBondContact N-OE2 3.37Å; D258-E261 WeakPolarHBondContact O-CB 3.45Å; D258-E261 PolarHBondContact O-N 2.04Å; E261-C263 PolarHBondContact O-N 3.44Å; E261-R280 WeakPolarHBondContact O-CA 3.13Å; E261-R280 WeakPolarHBondContact O-CB 3.36Å; E261-C281 PolarHBondContact O-N 2.89Å |
| 262 | Q | 73.7 | Confident | 59 | Low | 147 Ų | 147 | 79 Ų | 79 | 69% | 0.687 | 48% | 0.476 | S | S | * | . | B | Isolated β-bridge | trans | -79.9 | 118 | -178.5 | -173.3 | 127.4 | -14.7 | 0 | 0 | 110.7 | G279 | Q262-G279 CarbonylContact C-O 3.59Å; Q262-G279 VanDerWaalsContact CA-O 3.31Å; Q262-G279 WeakPolarHBondContact CA-O 3.42Å |
| 263 | C | 74.3 | Confident | 61.1 | Low | 4 Ų | 4 | 76.9 Ų | 76.9 | 3% | 0.027 | 46% | 0.462 | C | S | . | . | trans | -105.3 | 145.2 | 171.3 | 54 | 0 | 0 | 0 | 0 | 110.1 | E261 V268 C276 G279 R280 | E261-C263 PolarHBondContact O-N 3.44Å; C263-V268 WeakPolarHBondContact CB-O 3.13Å; C263-C276 HydrophobicContact CB-CB 3.95Å; C263-C276 WeakPolarHBondContact CB-SG 3.2Å; C263-C276 PolarHBondContact O-SG 3.28Å; C263-C276 WeakPolarHBondContact SG-CA 3.09Å; C263-C276 WeakPolarHBondContact SG-CB 3.44Å; C263-C276 CovalentContact SG-SG 2.03Å; C263-C276 PolarHBondContact SG-SG 3.36Å; C263-G279 PolarHBondContact N-O 2.86Å; C263-G279 CarbonylContact O-C 3.46Å; C263-G279 VanDerWaalsContact O-CA 3.29Å; C263-G279 WeakPolarHBondContact O-CA 3.34Å; C263-R280 WeakPolarHBondContact SG-CA 3.14Å; C263-R280 PolarHBondContact SG-N 2.78Å; C263-R280 VanDerWaalsContact SG-N 3.35Å | ||
| 264 | D | 61.7 | Low | 63.6 | Low | 101 Ų | 101 | 70.9 Ų | 70.9 | 54% | 0.54 | 43% | 0.427 | S | S | . | . | trans | -125.1 | 131.9 | 163 | -169.8 | -0.5 | 0 | 0 | 0 | 107.3 | H266 I267 V268 | D264-H266 PolarHBondContact O-N 2.04Å; D264-I267 PolarHBondContact O-N 2.86Å; D264-I267 VanDerWaalsContact O-N 3.07Å; D264-V268 PolarHBondContact O-N 3.22Å | ||
| 265 | G | 59.3 | Low | 65.8 | Low | 64 Ų | 64 | 66.9 Ų | 66.9 | 66% | 0.66 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 3.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 266 | H | 56.9 | Low | 67.4 | Low | 181 Ų | 181 | 66.7 Ų | 66.7 | 84% | 0.838 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | -12.7 | -179.1 | -68.4 | -67.4 | 0 | 0 | 0 | 114.9 | D264 | D264-H266 PolarHBondContact O-N 2.04Š|
| 267 | I | 55.3 | Low | 68.7 | Low | 138 Ų | 138 | 67.3 Ų | 67.3 | 71% | 0.708 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.6 | -43.1 | -170.9 | -58.7 | -179.5 | 0 | 0 | 0 | 112.6 | D264 | D264-I267 PolarHBondContact O-N 2.86Å; D264-I267 VanDerWaalsContact O-N 3.07Å |
| 268 | V | 62.8 | Low | 68.7 | Low | 50 Ų | 50 | 75.1 Ų | 75.1 | 30% | 0.303 | 44% | 0.437 | S | S | . | . | trans | -119.2 | 97.5 | -175.7 | -165.6 | 0 | 0 | 0 | 0 | 109.2 | A257 C263 D264 | A257-V268 HydrophobicContact CB-CG1 3.5Å; C263-V268 WeakPolarHBondContact CB-O 3.13Å; D264-V268 PolarHBondContact O-N 3.22Å | ||
| 269 | S | 64.8 | Low | 68.7 | Low | 81 Ų | 81 | 73.8 Ų | 73.8 | 57% | 0.566 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 140.2 | 178.7 | 54.2 | 0 | 0 | 0 | 0 | 111.2 | A256 A257 S271 | A256-S269 CarbonylContact C-O 3.55Å; A256-S269 VanDerWaalsContact CA-O 3.27Å; A256-S269 WeakPolarHBondContact CA-O 3.1Å; A257-S269 PolarHBondContact N-O 3.38Å; S269-S271 PolarHBondContact O-N 2.83Å |
| 270 | C | 72.7 | Confident | 69.2 | Low | 30 Ų | 30 | 78.6 Ų | 78.6 | 20% | 0.203 | 45% | 0.45 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 130.6 | 176.6 | -65 | 0 | 0 | 0 | 0 | 112.3 | A257 A274 C281 | A257-C270 WeakPolarHBondContact O-CA 3.06Å; C270-A274 HydrophobicContact CB-CB 4.01Å; C270-A274 VanDerWaalsContact CB-O 3.23Å; C270-A274 WeakPolarHBondContact CB-O 3.44Å; C270-C281 WeakPolarHBondContact CA-SG 3.3Å; C270-C281 HydrophobicContact CB-CB 3.79Å; C270-C281 WeakPolarHBondContact CB-SG 3.45Å; C270-C281 WeakPolarHBondContact SG-CA 3.07Å; C270-C281 WeakPolarHBondContact SG-CB 3.38Å; C270-C281 CovalentContact SG-SG 2.04Å; C270-C281 PolarHBondContact SG-SG 3.08Å |
| 271 | S | 72.7 | Confident | 69.9 | Low | 20 Ų | 20 | 77 Ų | 77 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -57.9 | 161.7 | 168.7 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | A256 A257 D258 S269 G273 A274 | A256-S271 WeakPolarHBondContact CB-OG 3.44Å; A257-S271 WeakPolarHBondContact O-CB 3.39Å; A257-S271 PolarHBondContact O-N 3.28Å; A257-S271 PolarHBondContact O-OG 2.04Å; D258-S271 WeakPolarHBondContact OD1-CB 3.49Å; D258-S271 PolarHBondContact OD1-OG 3.07Å; S269-S271 PolarHBondContact O-N 2.83Å; S271-G273 PolarHBondContact O-N 3.07Å; S271-A274 PolarHBondContact O-N 3.2Å; S271-A274 VanDerWaalsContact O-N 3.09Å |
| 272 | N | 65.4 | Low | 69.9 | Low | 68 Ų | 68 | 73.6 Ų | 73.6 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 22.5 | 144.5 | -74.5 | -37 | 0 | 0 | 0 | 117 | N292 K293 C294 | N272-N292 WeakPolarHBondContact CB-O 3.28Å; N272-N292 PolarHBondContact ND2-O 3.46Å; N272-K293 HydrophobicContact CB-CB 4.31Å; N272-K293 HydrophobicContact CB-CG 3.52Å; N272-K293 WeakPolarHBondContact O-CA 3.24Å; N272-K293 WeakPolarHBondContact OD1-CE 3.03Å; N272-C294 PolarHBondContact O-N 3.1Å |
| 273 | G | 66.7 | Low | 70.2 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 2.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S271 C294 | S271-G273 PolarHBondContact O-N 3.07Å; G273-C294 WeakPolarHBondContact O-CB 3.42Å |
| 274 | A | 76.7 | Confident | 70.1 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 10% | 0.099 | 42% | 0.417 | C | S | . | . | trans | -70.3 | 154.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L259 C270 S271 C281 C294 | L259-A274 HydrophobicContact CD1-CB 4.37Å; L259-A274 HydrophobicContact CD2-CB 4.08Å; L259-A274 HydrophobicContact CG-CB 3.96Å; C270-A274 HydrophobicContact CB-CB 4.01Å; C270-A274 VanDerWaalsContact CB-O 3.23Å; C270-A274 WeakPolarHBondContact CB-O 3.44Å; S271-A274 PolarHBondContact O-N 3.2Å; S271-A274 VanDerWaalsContact O-N 3.09Å; A274-C281 HydrophobicContact CB-CB 4.03Å; A274-C294 WeakPolarHBondContact CA-SG 3.22Å | ||
| 275 | Q | 77.7 | Confident | 69.5 | Low | 108 Ų | 108 | 70.2 Ų | 70.2 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 152.7 | 174.6 | -61.8 | -174.2 | -4.3 | 0 | 0 | 110.1 | V277 A282 V284 | Q275-V277 PolarHBondContact O-N 3.1Å; Q275-A282 PolarHBondContact N-O 2.99Å; Q275-A282 PolarHBondContact O-N 3Å; Q275-V284 HydrophobicContact CB-CG2 3.96Å; Q275-V284 HydrophobicContact CG-CG2 4.35Å |
| 276 | C | 77.5 | Confident | 68.7 | Low | 59 Ų | 59 | 71.7 Ų | 71.7 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 104.1 | 179.2 | -165.4 | 0 | 0 | 0 | 0 | 110.5 | C263 | C263-C276 HydrophobicContact CB-CB 3.95Å; C263-C276 WeakPolarHBondContact CB-SG 3.2Å; C263-C276 PolarHBondContact O-SG 3.28Å; C263-C276 WeakPolarHBondContact SG-CA 3.09Å; C263-C276 WeakPolarHBondContact SG-CB 3.44Å; C263-C276 CovalentContact SG-SG 2.03Å; C263-C276 PolarHBondContact SG-SG 3.36Å |
| 277 | V | 75.7 | Confident | 69.2 | Low | 65 Ų | 65 | 65.1 Ų | 65.1 | 39% | 0.394 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 117.8 | -178.9 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | Q275 G279 R280 A282 V284 | Q275-V277 PolarHBondContact O-N 3.1Å; V277-G279 PolarHBondContact O-N 3.38Å; V277-R280 PolarHBondContact N-O 2.82Å; V277-R280 PolarHBondContact O-N 3.28Å; V277-A282 HydrophobicContact CB-CB 4.25Å; V277-A282 HydrophobicContact CG2-CB 4.19Å; V277-V284 HydrophobicContact CG2-CG2 3.77Å |
| 278 | N | 65.5 | Low | 69.6 | Low | 167 Ų | 167 | 61 Ų | 61 | 89% | 0.893 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 40.9 | -175.9 | -67.2 | -12.4 | 0 | 0 | 0 | 113.7 | ||
| 279 | G | 72 | Confident | 69.7 | Low | 25 Ų | 25 | 64.1 Ų | 64.1 | 26% | 0.258 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 15.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q262 C263 V277 | Q262-G279 CarbonylContact C-O 3.59Å; Q262-G279 VanDerWaalsContact CA-O 3.31Å; Q262-G279 WeakPolarHBondContact CA-O 3.42Å; C263-G279 PolarHBondContact N-O 2.86Å; C263-G279 CarbonylContact O-C 3.46Å; C263-G279 VanDerWaalsContact O-CA 3.29Å; C263-G279 WeakPolarHBondContact O-CA 3.34Å; V277-G279 PolarHBondContact O-N 3.38Å |
| 280 | R | 76.7 | Confident | 69.2 | Low | 143 Ų | 143 | 62.3 Ų | 62.3 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.3 | 169.2 | -70.3 | -174.8 | 177.5 | -138.2 | 7.5 | 113.4 | G260 E261 C263 V277 A282 | G260-R280 WeakPolarHBondContact O-CD 3.37Å; G260-R280 PolarHBondContact O-NH1 2.87Å; E261-R280 WeakPolarHBondContact O-CA 3.13Å; E261-R280 WeakPolarHBondContact O-CB 3.36Å; C263-R280 WeakPolarHBondContact SG-CA 3.14Å; C263-R280 PolarHBondContact SG-N 2.78Å; C263-R280 VanDerWaalsContact SG-N 3.35Å; V277-R280 PolarHBondContact N-O 2.82Å; V277-R280 PolarHBondContact O-N 3.28Å; R280-A282 PolarHBondContact O-N 2.77Å |
| 281 | C | 81.8 | Confident | 68.2 | Low | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.014 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 117.5 | 177 | -66 | 0 | 0 | 0 | 0 | 111 | D258 G260 E261 C270 A274 | D258-C281 WeakPolarHBondContact O-CB 3.26Å; G260-C281 PolarHBondContact N-O 2.77Å; E261-C281 PolarHBondContact O-N 2.89Å; C270-C281 WeakPolarHBondContact CA-SG 3.3Å; C270-C281 HydrophobicContact CB-CB 3.79Å; C270-C281 WeakPolarHBondContact CB-SG 3.45Å; C270-C281 WeakPolarHBondContact SG-CA 3.07Å; C270-C281 WeakPolarHBondContact SG-CB 3.38Å; C270-C281 CovalentContact SG-SG 2.04Å; C270-C281 PolarHBondContact SG-SG 3.08Å; A274-C281 HydrophobicContact CB-CB 4.03Å |
| 282 | A | 78.7 | Confident | 67.4 | Low | 34 Ų | 34 | 70.6 Ų | 70.6 | 28% | 0.281 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q275 V277 R280 | Q275-A282 PolarHBondContact N-O 2.99Å; Q275-A282 PolarHBondContact O-N 3Å; V277-A282 HydrophobicContact CB-CB 4.25Å; V277-A282 HydrophobicContact CG2-CB 4.19Å; R280-A282 PolarHBondContact O-N 2.77Å |
| 283 | C | 78.8 | Confident | 66.9 | Low | 33 Ų | 33 | 73 Ų | 73 | 22% | 0.223 | 41% | 0.414 | C | S | . | . | trans | -78.5 | 133.6 | 168.3 | -53.7 | 0 | 0 | 0 | 0 | 110 | L287 H289 C294 | C283-L287 HydrophobicContact CB-CB 4.3Å; C283-L287 WeakPolarHBondContact CB-O 3.42Å; C283-H289 VanDerWaalsContact SG-CA 3.53Å; C283-C294 WeakPolarHBondContact CA-SG 3.29Å; C283-C294 HydrophobicContact CB-CB 3.76Å; C283-C294 WeakPolarHBondContact CB-SG 3.41Å; C283-C294 WeakPolarHBondContact SG-CA 3.34Å; C283-C294 WeakPolarHBondContact SG-CB 3.44Å; C283-C294 CovalentContact SG-SG 2.03Å; C283-C294 PolarHBondContact SG-SG 3.09Å | ||
| 284 | V | 72.4 | Confident | 66.6 | Low | 58 Ų | 58 | 71.5 Ų | 71.5 | 35% | 0.352 | 40% | 0.395 | S | S | . | . | trans | -106.8 | 122 | 178.9 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | Q275 V277 L287 | Q275-V284 HydrophobicContact CB-CG2 3.96Å; Q275-V284 HydrophobicContact CG-CG2 4.35Å; V277-V284 HydrophobicContact CG2-CG2 3.77Å; V284-L287 VanDerWaalsContact O-CB 3.26Å; V284-L287 WeakPolarHBondContact O-CB 3.35Å; V284-L287 PolarHBondContact O-N 2.82Å | ||
| 285 | A | 49.1 | Very low | 65.7 | Low | 90 Ų | 90 | 72.2 Ų | 72.2 | 74% | 0.744 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 135 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 286 | P | 42.2 | Very low | 64.2 | Low | 96 Ų | 96 | 71 Ų | 71 | 62% | 0.623 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -83.5 | 5.1 | 15.5 | 34.8 | -38.8 | 0 | 0 | 0 | 116.2 | L296 | P286-L296 HydrophobicContact CB-CD2 4.19Å; P286-L296 HydrophobicContact CG-CD2 3.69Å |
| 287 | L | 68.3 | Low | 62.3 | Low | 42 Ų | 42 | 74.7 Ų | 74.7 | 22% | 0.22 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 130.7 | 174.4 | -55.9 | 169.7 | 0 | 0 | 0 | 110.8 | C283 V284 C294 A295 L296 | C283-L287 HydrophobicContact CB-CB 4.3Å; C283-L287 WeakPolarHBondContact CB-O 3.42Å; V284-L287 VanDerWaalsContact O-CB 3.26Å; V284-L287 WeakPolarHBondContact O-CB 3.35Å; V284-L287 PolarHBondContact O-N 2.82Å; L287-C294 HydrophobicContact CB-CB 4.07Å; L287-C294 HydrophobicContact CD1-CB 4.33Å; L287-A295 WeakPolarHBondContact CA-O 3.34Å; L287-L296 HydrophobicContact CD2-CG 4Å |
| 288 | V | 63.3 | Low | 60.4 | Low | 52 Ų | 52 | 78 Ų | 78 | 32% | 0.315 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 151.7 | 175.2 | -74.9 | 0 | 0 | 0 | 0 | 111.4 | I290 C294 A295 M297 | V288-I290 HydrophobicContact CG2-CD1 3.97Å; V288-I290 HydrophobicContact CG2-CG1 4.21Å; V288-I290 PolarHBondContact O-N 2.94Å; V288-C294 WeakPolarHBondContact O-CA 3.4Å; V288-A295 PolarHBondContact N-O 3.12Å; V288-A295 PolarHBondContact O-N 3.49Å; V288-M297 HydrophobicContact CG1-SD 4.43Å; V288-M297 HydrophobicContact CG2-CB 4.14Å; V288-M297 HydrophobicContact CG2-CG 4.05Å; V288-M297 HydrophobicContact CG2-SD 4.02Å |
| 289 | H | 65.2 | Low | 58.6 | Low | 115 Ų | 115 | 74.9 Ų | 74.9 | 53% | 0.532 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 113.1 | 178.2 | 177.3 | -152.8 | 0 | 0 | 0 | 110.6 | C283 N292 K293 | C283-H289 VanDerWaalsContact SG-CA 3.53Å; H289-N292 WeakPolarHBondContact NE2-CA 3.16Å; H289-N292 PolarHBondContact NE2-N 3.39Å; H289-N292 VanDerWaalsContact NE2-N 3.16Å; H289-K293 WeakPolarHBondContact CA-O 3.49Å |
| 290 | I | 53.4 | Low | 56.5 | Low | 43 Ų | 43 | 79.5 Ų | 79.5 | 22% | 0.221 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 114.3 | 177.9 | -66 | 176.8 | 0 | 0 | 0 | 107.7 | V288 N292 K293 W300 | V288-I290 HydrophobicContact CG2-CD1 3.97Å; V288-I290 HydrophobicContact CG2-CG1 4.21Å; V288-I290 PolarHBondContact O-N 2.94Å; I290-N292 PolarHBondContact O-N 2.81Å; I290-K293 PolarHBondContact N-O 2.74Å; I290-K293 WeakPolarHBondContact O-CA 3.46Å; I290-K293 WeakPolarHBondContact O-CB 3.3Å; I290-K293 PolarHBondContact O-N 3.44Å; I290-K293 VanDerWaalsContact O-O 3.1Å; I290-W300 HydrophobicContact CD1-CE3 4.16Å; I290-W300 HydrophobicContact CD1-CZ3 4.21Å; I290-W300 HydrophobicContact CG2-CE3 4.17Å; I290-W300 HydrophobicContact CG2-CH2 3.53Å; I290-W300 HydrophobicContact CG2-CZ3 3.3Å |
| 291 | Q | 52.3 | Low | 54.2 | Low | 168 Ų | 168 | 77.7 Ų | 77.7 | 79% | 0.785 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 54 | 173.9 | -64.4 | -177 | -28.8 | 0 | 0 | 113.8 | K293 | Q291-K293 PolarHBondContact O-N 2.8Š|
| 292 | N | 56 | Low | 52.1 | Low | 56 Ų | 56 | 82.4 Ų | 82.4 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 16.4 | -179.3 | -147.4 | 14.7 | 0 | 0 | 0 | 114.9 | D258 L259 N272 H289 I290 | D258-N292 VanDerWaalsContact CG-ND2 3.3Å; D258-N292 PolarHBondContact OD2-ND2 3.38Å; L259-N292 WeakPolarHBondContact CD1-O 3.04Å; N272-N292 WeakPolarHBondContact CB-O 3.28Å; N272-N292 PolarHBondContact ND2-O 3.46Å; H289-N292 WeakPolarHBondContact NE2-CA 3.16Å; H289-N292 PolarHBondContact NE2-N 3.39Å; H289-N292 VanDerWaalsContact NE2-N 3.16Å; I290-N292 PolarHBondContact O-N 2.81Å |
| 293 | K | 55 | Low | 50.3 | Low | 120 Ų | 120 | 84 Ų | 84 | 52% | 0.522 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 154.6 | 170.7 | -80.2 | 167.5 | 179.2 | 177 | 0 | 112.2 | N272 H289 I290 Q291 | N272-K293 HydrophobicContact CB-CB 4.31Å; N272-K293 HydrophobicContact CB-CG 3.52Å; N272-K293 WeakPolarHBondContact O-CA 3.24Å; N272-K293 WeakPolarHBondContact OD1-CE 3.03Å; H289-K293 WeakPolarHBondContact CA-O 3.49Å; I290-K293 PolarHBondContact N-O 2.74Å; I290-K293 WeakPolarHBondContact O-CA 3.46Å; I290-K293 WeakPolarHBondContact O-CB 3.3Å; I290-K293 PolarHBondContact O-N 3.44Å; I290-K293 VanDerWaalsContact O-O 3.1Å; Q291-K293 PolarHBondContact O-N 2.8Å |
| 294 | C | 60.5 | Low | 49.2 | Very low | 13 Ų | 13 | 87.4 Ų | 87.4 | 9% | 0.088 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 109 | 170.3 | -61 | 0 | 0 | 0 | 0 | 109.1 | N272 G273 A274 C283 L287 V288 | N272-C294 PolarHBondContact O-N 3.1Å; G273-C294 WeakPolarHBondContact O-CB 3.42Å; A274-C294 WeakPolarHBondContact CA-SG 3.22Å; C283-C294 WeakPolarHBondContact CA-SG 3.29Å; C283-C294 HydrophobicContact CB-CB 3.76Å; C283-C294 WeakPolarHBondContact CB-SG 3.41Å; C283-C294 WeakPolarHBondContact SG-CA 3.34Å; C283-C294 WeakPolarHBondContact SG-CB 3.44Å; C283-C294 CovalentContact SG-SG 2.03Å; C283-C294 PolarHBondContact SG-SG 3.09Å; L287-C294 HydrophobicContact CB-CB 4.07Å; L287-C294 HydrophobicContact CD1-CB 4.33Å; V288-C294 WeakPolarHBondContact O-CA 3.4Å |
| 295 | A | 58.6 | Low | 48.9 | Very low | 28 Ų | 28 | 84.7 Ų | 84.7 | 23% | 0.231 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 153.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L287 V288 | L287-A295 WeakPolarHBondContact CA-O 3.34Å; V288-A295 PolarHBondContact N-O 3.12Å; V288-A295 PolarHBondContact O-N 3.49Å |
| 296 | L | 44.4 | Very low | 50.3 | Low | 83 Ų | 83 | 84 Ų | 84 | 44% | 0.435 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 136.2 | 166.2 | -86.9 | 161.5 | 0 | 0 | 0 | 108.9 | P286 L287 D298 T299 | P286-L296 HydrophobicContact CB-CD2 4.19Å; P286-L296 HydrophobicContact CG-CD2 3.69Å; L287-L296 HydrophobicContact CD2-CG 4Å; L296-D298 PolarHBondContact O-N 3.47Å; L296-T299 PolarHBondContact O-N 3.12Å; L296-T299 PolarHBondContact O-OG1 3.04Å |
| 297 | M | 38.4 | Very low | 52 | Low | 135 Ų | 135 | 79.8 Ų | 79.8 | 67% | 0.665 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 11.2 | -177.7 | -146.4 | 166.6 | -171 | 0 | 0 | 114 | V288 | V288-M297 HydrophobicContact CG1-SD 4.43Å; V288-M297 HydrophobicContact CG2-CB 4.14Å; V288-M297 HydrophobicContact CG2-CG 4.05Å; V288-M297 HydrophobicContact CG2-SD 4.02Å |
| 298 | D | 35.2 | Very low | 52 | Low | 135 Ų | 135 | 79 Ų | 79 | 72% | 0.722 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -16.1 | 172.5 | -57.4 | -53 | 0 | 0 | 0 | 112.8 | L296 | L296-D298 PolarHBondContact O-N 3.47Š|
| 299 | T | 27.5 | Very low | 52.6 | Low | 102 Ų | 102 | 79.9 Ų | 79.9 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -102.8 | 52.2 | -176.5 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | L296 | L296-T299 PolarHBondContact O-N 3.12Å; L296-T299 PolarHBondContact O-OG1 3.04Å |
| 300 | W | 27.8 | Very low | 52.9 | Low | 122 Ų | 122 | 79.2 Ų | 79.2 | 46% | 0.462 | 41% | 0.411 | S | S | . | . | trans | -147.4 | 52.5 | 158.5 | -117.7 | -13.9 | 0 | 0 | 0 | 114.1 | I290 T302 I303 | I290-W300 HydrophobicContact CD1-CE3 4.16Å; I290-W300 HydrophobicContact CD1-CZ3 4.21Å; I290-W300 HydrophobicContact CG2-CE3 4.17Å; I290-W300 HydrophobicContact CG2-CH2 3.53Å; I290-W300 HydrophobicContact CG2-CZ3 3.3Å; W300-T302 PolarHBondContact O-N 3.39Å; W300-I303 HydrophobicContact CB-CD1 4.12Å; W300-I303 HydrophobicContact CB-CG1 4.05Å; W300-I303 HydrophobicContact CD2-CD1 4.1Å; W300-I303 HydrophobicContact CD2-CG1 4.13Å; W300-I303 HydrophobicContact CE3-CD1 3.83Å; W300-I303 HydrophobicContact CE3-CG1 4.36Å; W300-I303 HydrophobicContact CG-CD1 4.22Å; W300-I303 HydrophobicContact CG-CG1 3.97Å; W300-I303 PolarHBondContact O-N 3Å | ||
| 301 | S | 30 | Very low | 54 | Low | 105 Ų | 105 | 77.6 Ų | 77.6 | 73% | 0.734 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 20.4 | 170.7 | 51.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 302 | T | 36.1 | Very low | 54.5 | Low | 101 Ų | 101 | 73.9 Ų | 73.9 | 62% | 0.62 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.2 | 11.6 | -175.7 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | W300 K304 | W300-T302 PolarHBondContact O-N 3.39Å; T302-K304 PolarHBondContact O-N 3.18Å |
| 303 | I | 41.5 | Very low | 53.9 | Low | 66 Ų | 66 | 75.1 Ų | 75.1 | 34% | 0.338 | 40% | 0.403 | S | S | . | . | trans | -70 | 107.9 | 167.7 | -57 | 178.8 | 0 | 0 | 0 | 107.9 | W300 Q315 H316 | W300-I303 HydrophobicContact CB-CD1 4.12Å; W300-I303 HydrophobicContact CB-CG1 4.05Å; W300-I303 HydrophobicContact CD2-CD1 4.1Å; W300-I303 HydrophobicContact CD2-CG1 4.13Å; W300-I303 HydrophobicContact CE3-CD1 3.83Å; W300-I303 HydrophobicContact CE3-CG1 4.36Å; W300-I303 HydrophobicContact CG-CD1 4.22Å; W300-I303 HydrophobicContact CG-CG1 3.97Å; W300-I303 PolarHBondContact O-N 3Å; I303-Q315 HydrophobicContact CB-CG 4.08Å; I303-Q315 HydrophobicContact CG2-CB 4.33Å; I303-Q315 VanDerWaalsContact CG2-CD 3.43Å; I303-Q315 HydrophobicContact CG2-CG 3.8Å; I303-Q315 VanDerWaalsContact CG2-OE1 3.31Å; I303-H316 PolarHBondContact O-N 2.84Å | ||
| 304 | K | 56.1 | Low | 53.6 | Low | 106 Ų | 106 | 72.4 Ų | 72.4 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 114.2 | 174.9 | -67.3 | -179 | 169.1 | -146.4 | 0 | 108.4 | T302 Y306 Q318 | T302-K304 PolarHBondContact O-N 3.18Å; K304-Y306 HydrophobicContact CB-CE2 3.95Å; K304-Q318 HydrophobicContact CB-CG 3.86Å; K304-Q318 HydrophobicContact CD-CG 4.21Å; K304-Q318 HydrophobicContact CG-CG 3.83Å |
| 305 | A | 66.1 | Low | 53.6 | Low | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 132 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109 | D309 Q315 H316 C317 Q318 C330 | A305-D309 HydrophobicContact CB-CB 3.93Å; A305-Q315 HydrophobicContact CB-CB 3.77Å; A305-H316 PolarHBondContact N-O 3.38Å; A305-C317 CarbonylContact O-C 3.5Å; A305-C317 VanDerWaalsContact O-CA 3.31Å; A305-C317 WeakPolarHBondContact O-CA 3.09Å; A305-Q318 PolarHBondContact O-N 2.99Å; A305-C330 WeakPolarHBondContact CB-SG 3.4Å |
| 306 | Y | 79.7 | Confident | 53.9 | Low | 77 Ų | 77 | 79.7 Ų | 79.7 | 30% | 0.302 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 169.4 | 177.7 | -64.5 | -83.4 | 0 | 0 | 0 | 109.7 | K304 G308 D309 Q318 E319 C330 S341 | K304-Y306 HydrophobicContact CB-CE2 3.95Å; Y306-G308 PolarHBondContact O-N 3.35Å; Y306-D309 WeakPolarHBondContact CB-OD2 3.36Å; Y306-D309 PolarHBondContact N-OD2 3.39Å; Y306-D309 WeakPolarHBondContact O-CB 3.42Å; Y306-D309 PolarHBondContact O-N 2.78Å; Y306-Q318 HydrophobicContact CE1-CB 4.37Å; Y306-E319 HydrophobicContact CD1-CG 4.01Å; Y306-E319 HydrophobicContact CE1-CG 3.97Å; Y306-C330 WeakPolarHBondContact O-CB 3.48Å; Y306-S341 WeakPolarHBondContact CD1-O 3.26Å |
| 307 | P | 76.1 | Confident | 55.1 | Low | 6 Ų | 6 | 77.1 Ų | 77.1 | 4% | 0.039 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 128.1 | 178.7 | -14.5 | 25.9 | 0 | 0 | 0 | 109.8 | Q338 S341 C343 | P307-Q338 HydrophobicContact CB-CB 4.16Å; P307-Q338 HydrophobicContact CB-CG 3.89Å; P307-Q338 PolarHBondContact O-NE2 3.33Å; P307-Q338 PolarHBondContact O-OE1 3.16Å; P307-S341 WeakPolarHBondContact CD-O 3.48Å; P307-C343 VanDerWaalsContact CG-SG 3.52Å |
| 308 | G | 69.7 | Low | 57 | Low | 27 Ų | 27 | 73.8 Ų | 73.8 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -23.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y306 R329 C330 | Y306-G308 PolarHBondContact O-N 3.35Å; G308-R329 WeakPolarHBondContact O-CD 3.47Å; G308-R329 PolarHBondContact O-NH1 2.96Å; G308-C330 PolarHBondContact N-O 2.62Å |
| 309 | D | 76 | Confident | 58.7 | Low | 70 Ų | 70 | 70.5 Ų | 70.5 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -75.2 | 153.8 | -178.7 | -70.1 | -36.1 | 0 | 0 | 0 | 113 | A305 Y306 R329 C330 | A305-D309 HydrophobicContact CB-CB 3.93Å; Y306-D309 WeakPolarHBondContact CB-OD2 3.36Å; Y306-D309 PolarHBondContact N-OD2 3.39Å; Y306-D309 WeakPolarHBondContact O-CB 3.42Å; Y306-D309 PolarHBondContact O-N 2.78Å; D309-R329 CarbonylContact O-C 3.48Å; D309-R329 WeakPolarHBondContact O-CA 3.31Å; D309-R329 VanDerWaalsContact O-CB 3.28Å; D309-R329 WeakPolarHBondContact O-CB 3.14Å; D309-C330 PolarHBondContact O-N 3.48Å |
| 310 | F | 71.6 | Confident | 60.4 | Low | 100 Ų | 100 | 72.8 Ų | 72.8 | 44% | 0.439 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -73.5 | 137.4 | 175.3 | -77.1 | -77.8 | 0 | 0 | 0 | 112 | Q315 L328 R329 | F310-Q315 PolarHBondContact O-OE1 2.61Å; F310-L328 CarbonylContact C-O 3.57Å; F310-L328 WeakPolarHBondContact CA-O 3.29Å; F310-L328 WeakPolarHBondContact CD1-O 3.02Å; F310-R329 HydrophobicContact CD1-CG 3.64Å; F310-R329 HydrophobicContact CE1-CG 3.96Å; F310-R329 VanDerWaalsContact CE2-CZ 3.42Å; F310-R329 HydrophobicContact CG-CG 4.01Å; F310-R329 VanDerWaalsContact CZ-NH2 3.26Å |
| 311 | C | 75.3 | Confident | 62.5 | Low | 10 Ų | 10 | 67.3 Ų | 67.3 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | trans | -121.3 | 6.6 | -176.9 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | S313 C323 L328 | C311-S313 PolarHBondContact O-N 2.87Å; C311-C323 HydrophobicContact CB-CB 3.81Å; C311-C323 WeakPolarHBondContact CB-SG 3.04Å; C311-C323 WeakPolarHBondContact SG-CA 3.25Å; C311-C323 WeakPolarHBondContact SG-CB 3.25Å; C311-C323 CovalentContact SG-SG 2.03Å; C311-C323 PolarHBondContact SG-SG 3.01Å; C311-L328 PolarHBondContact N-O 3.44Å; C311-L328 PolarHBondContact SG-O 3.15Å; C311-L328 VanDerWaalsContact SG-O 3.41Å | ||
| 312 | D | 62.4 | Low | 64.8 | Low | 90 Ų | 90 | 66.1 Ų | 66.1 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23 | 176.8 | 54.9 | 19.5 | 0 | 0 | 0 | 114.8 | L328 | D312-L328 HydrophobicContact CB-CB 4.22Å; D312-L328 HydrophobicContact CB-CD1 4.26Å; D312-L328 HydrophobicContact CB-CD2 4.24Å; D312-L328 HydrophobicContact CB-CG 4.48Å |
| 313 | S | 44.8 | Very low | 66.7 | Low | 82 Ų | 82 | 64.4 Ų | 64.4 | 57% | 0.573 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 32 | -169.9 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | C311 Q315 | C311-S313 PolarHBondContact O-N 2.87Å; S313-Q315 PolarHBondContact O-N 3.17Å |
| 314 | G | 49 | Very low | 67.9 | Low | 63 Ų | 63 | 62.5 Ų | 62.5 | 65% | 0.649 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 77.3 | 15.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 315 | Q | 59.1 | Low | 68 | Low | 54 Ų | 54 | 63 Ų | 63 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 135 | 179 | -51.1 | -170.4 | 17.4 | 0 | 0 | 110.8 | I303 A305 F310 S313 | I303-Q315 HydrophobicContact CB-CG 4.08Å; I303-Q315 HydrophobicContact CG2-CB 4.33Å; I303-Q315 VanDerWaalsContact CG2-CD 3.43Å; I303-Q315 HydrophobicContact CG2-CG 3.8Å; I303-Q315 VanDerWaalsContact CG2-OE1 3.31Å; A305-Q315 HydrophobicContact CB-CB 3.77Å; F310-Q315 PolarHBondContact O-OE1 2.61Å; S313-Q315 PolarHBondContact O-N 3.17Å |
| 316 | H | 64.5 | Low | 67.6 | Low | 139 Ų | 139 | 69.2 Ų | 69.2 | 64% | 0.644 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119 | 177.1 | -90.9 | -83 | 0 | 0 | 0 | 110.5 | I303 A305 Q318 | I303-H316 PolarHBondContact O-N 2.84Å; A305-H316 PolarHBondContact N-O 3.38Å; H316-Q318 PolarHBondContact O-N 2.79Å |
| 317 | C | 69.6 | Low | 66.9 | Low | 30 Ų | 30 | 69.3 Ų | 69.3 | 20% | 0.203 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 129.3 | 171 | -59 | 0 | 0 | 0 | 0 | 110.7 | A305 S321 V322 C323 C330 | A305-C317 CarbonylContact O-C 3.5Å; A305-C317 VanDerWaalsContact O-CA 3.31Å; A305-C317 WeakPolarHBondContact O-CA 3.09Å; C317-S321 WeakPolarHBondContact CB-O 3.49Å; C317-S321 WeakPolarHBondContact CB-OG 3.15Å; C317-V322 VanDerWaalsContact SG-C 3.56Å; C317-C323 PolarHBondContact SG-N 3.3Å; C317-C330 WeakPolarHBondContact CA-SG 3.37Å; C317-C330 HydrophobicContact CB-CB 3.8Å; C317-C330 WeakPolarHBondContact CB-SG 3.27Å; C317-C330 VanDerWaalsContact SG-CA 3.57Å; C317-C330 WeakPolarHBondContact SG-CB 3.42Å; C317-C330 CovalentContact SG-SG 2.03Å; C317-C330 PolarHBondContact SG-SG 3.46Å |
| 318 | Q | 78.6 | Confident | 66.5 | Low | 64 Ų | 64 | 73.1 Ų | 73.1 | 30% | 0.299 | 42% | 0.421 | S | S | . | . | trans | -112.5 | 177.7 | -177.9 | -72.2 | -115.8 | -48.7 | 0 | 0 | 111.7 | K304 A305 Y306 H316 R320 S321 | K304-Q318 HydrophobicContact CB-CG 3.86Å; K304-Q318 HydrophobicContact CD-CG 4.21Å; K304-Q318 HydrophobicContact CG-CG 3.83Å; A305-Q318 PolarHBondContact O-N 2.99Å; Y306-Q318 HydrophobicContact CE1-CB 4.37Å; H316-Q318 PolarHBondContact O-N 2.79Å; Q318-R320 VanDerWaalsContact C-N 3.34Å; Q318-R320 PolarHBondContact O-N 3.43Å; Q318-S321 WeakPolarHBondContact O-CB 3.27Å; Q318-S321 PolarHBondContact O-N 3.22Å; Q318-S321 PolarHBondContact O-OG 3.37Å | ||
| 319 | E | 72 | Confident | 66.9 | Low | 67 Ų | 67 | 76.4 Ų | 76.4 | 31% | 0.313 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 46.7 | 169.5 | -61.1 | -79.7 | 109.9 | 0 | 0 | 113 | Y306 S321 S341 R342 C343 | Y306-E319 HydrophobicContact CD1-CG 4.01Å; Y306-E319 HydrophobicContact CE1-CG 3.97Å; E319-S321 VanDerWaalsContact C-N 3.26Å; E319-S321 PolarHBondContact O-N 2.73Å; E319-S341 WeakPolarHBondContact CB-O 3.4Å; E319-R342 HydrophobicContact CB-CB 4.26Å; E319-R342 HydrophobicContact CB-CG 4.16Å; E319-R342 IonicContact OE1-NH1 3.57Å; E319-R342 PolarHBondContact OE1-NH1 2.79Å; E319-R342 WeakPolarHBondContact OE2-CB 3.39Å; E319-R342 WeakPolarHBondContact OE2-CD 3.25Å; E319-R342 WeakPolarHBondContact OE2-CG 3.07Å; E319-R342 IonicContact OE2-CZ 2.86Å; E319-R342 IonicContact OE2-NE 3.41Å; E319-R342 IonicContact OE2-NH1 2.62Å; E319-R342 PolarHBondContact OE2-NH1 3.11Å; E319-C343 VanDerWaalsContact O-CB 3.26Å; E319-C343 WeakPolarHBondContact O-CB 3.02Å; E319-C343 PolarHBondContact O-N 3.13Å |
| 320 | R | 63 | Low | 67 | Low | 149 Ų | 149 | 73.1 Ų | 73.1 | 56% | 0.562 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 0.9 | -173.8 | -80 | -176.9 | 178.8 | 168.4 | -0 | 117.2 | Q318 P333 C343 D345 | Q318-R320 VanDerWaalsContact C-N 3.34Å; Q318-R320 PolarHBondContact O-N 3.43Å; R320-P333 WeakPolarHBondContact O-CD 3.47Å; R320-P333 WeakPolarHBondContact O-CG 3.41Å; R320-C343 HydrophobicContact CB-CB 3.88Å; R320-D345 IonicContact CZ-OD1 2.91Å; R320-D345 IonicContact CZ-OD2 3.68Å; R320-D345 IonicContact NH1-OD1 3.79Å; R320-D345 PolarHBondContact NH1-OD1 2.93Å; R320-D345 IonicContact NH1-OD2 2.66Å; R320-D345 PolarHBondContact NH1-OD2 3.14Å; R320-D345 IonicContact NH2-OD2 3.12Å |
| 321 | S | 72.7 | Confident | 67.4 | Low | 8 Ų | 8 | 70.2 Ų | 70.2 | 6% | 0.056 | 40% | 0.402 | C | S | . | . | trans | -74.9 | 156.9 | 175.1 | 62.4 | 0 | 0 | 0 | 0 | 114 | C317 Q318 E319 A331 | C317-S321 WeakPolarHBondContact CB-O 3.49Å; C317-S321 WeakPolarHBondContact CB-OG 3.15Å; Q318-S321 WeakPolarHBondContact O-CB 3.27Å; Q318-S321 PolarHBondContact O-N 3.22Å; Q318-S321 PolarHBondContact O-OG 3.37Å; E319-S321 VanDerWaalsContact C-N 3.26Å; E319-S321 PolarHBondContact O-N 2.73Å; S321-A331 CarbonylContact C-O 3.56Å; S321-A331 VanDerWaalsContact CA-O 3.3Å; S321-A331 WeakPolarHBondContact CA-O 3.42Å; S321-A331 WeakPolarHBondContact CB-O 3.44Å | ||
| 322 | V | 77.2 | Confident | 67.6 | Low | 79 Ų | 79 | 71.2 Ų | 71.2 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.9 | -179.9 | -65.6 | 0 | 0 | 0 | 0 | 111 | C317 S324 C330 A331 P333 | C317-V322 VanDerWaalsContact SG-C 3.56Å; V322-S324 PolarHBondContact O-N 3.15Å; V322-C330 CarbonylContact O-C 3.57Å; V322-C330 WeakPolarHBondContact O-CA 3.41Å; V322-A331 PolarHBondContact N-O 3.15Å; V322-A331 PolarHBondContact O-N 2.92Å; V322-P333 HydrophobicContact CG2-CB 4.32Å |
| 323 | C | 75.8 | Confident | 67.9 | Low | 65 Ų | 65 | 69.1 Ų | 69.1 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 114.3 | -175.9 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | C311 C317 S325 | C311-C323 HydrophobicContact CB-CB 3.81Å; C311-C323 WeakPolarHBondContact CB-SG 3.04Å; C311-C323 WeakPolarHBondContact SG-CA 3.25Å; C311-C323 WeakPolarHBondContact SG-CB 3.25Å; C311-C323 CovalentContact SG-SG 2.03Å; C311-C323 PolarHBondContact SG-SG 3.01Å; C317-C323 PolarHBondContact SG-N 3.3Å; C323-S325 PolarHBondContact O-N 3.23Å |
| 324 | S | 67.5 | Low | 68.3 | Low | 27 Ų | 27 | 73 Ų | 73 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | trans | -69 | 119.3 | 177.1 | 172 | 0 | 0 | 0 | 0 | 111 | V322 V326 T327 L328 R329 | V322-S324 PolarHBondContact O-N 3.15Å; S324-V326 PolarHBondContact O-N 3.11Å; S324-V326 PolarHBondContact OG-N 3.37Å; S324-T327 WeakPolarHBondContact CB-OG1 3.44Å; S324-T327 PolarHBondContact OG-N 3.22Å; S324-T327 PolarHBondContact OG-OG1 3.37Å; S324-L328 VanDerWaalsContact O-CA 3.25Å; S324-L328 WeakPolarHBondContact O-CA 3.18Å; S324-L328 PolarHBondContact O-N 2.04Å; S324-R329 WeakPolarHBondContact CB-O 3.24Å; S324-R329 PolarHBondContact N-O 2.92Å | ||
| 325 | S | 58.2 | Low | 68.5 | Low | 115 Ų | 115 | 72.7 Ų | 72.7 | 80% | 0.804 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.4 | 174.4 | 53.4 | 0 | 0 | 0 | 0 | 114 | C323 | C323-S325 PolarHBondContact O-N 3.23Š|
| 326 | V | 57.2 | Low | 69.1 | Low | 132 Ų | 132 | 71.3 Ų | 71.3 | 80% | 0.8 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -36.5 | -178.9 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | S324 | S324-V326 PolarHBondContact O-N 3.11Å; S324-V326 PolarHBondContact OG-N 3.37Å |
| 327 | T | 65.7 | Low | 69.1 | Low | 79 Ų | 79 | 71.3 Ų | 71.3 | 49% | 0.485 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -3.9 | -174.4 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | S324 R329 | S324-T327 WeakPolarHBondContact CB-OG1 3.44Å; S324-T327 PolarHBondContact OG-N 3.22Å; S324-T327 PolarHBondContact OG-OG1 3.37Å; T327-R329 PolarHBondContact O-N 3.43Å; T327-R329 VanDerWaalsContact O-N 3.15Å |
| 328 | L | 66.5 | Low | 69.3 | Low | 86 Ų | 86 | 74.3 Ų | 74.3 | 45% | 0.45 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 52.4 | 30.2 | -175.6 | -69.5 | 169.4 | 0 | 0 | 0 | 113.7 | F310 C311 D312 S324 | F310-L328 CarbonylContact C-O 3.57Å; F310-L328 WeakPolarHBondContact CA-O 3.29Å; F310-L328 WeakPolarHBondContact CD1-O 3.02Å; C311-L328 PolarHBondContact N-O 3.44Å; C311-L328 PolarHBondContact SG-O 3.15Å; C311-L328 VanDerWaalsContact SG-O 3.41Å; D312-L328 HydrophobicContact CB-CB 4.22Å; D312-L328 HydrophobicContact CB-CD1 4.26Å; D312-L328 HydrophobicContact CB-CD2 4.24Å; D312-L328 HydrophobicContact CB-CG 4.48Å; S324-L328 VanDerWaalsContact O-CA 3.25Å; S324-L328 WeakPolarHBondContact O-CA 3.18Å; S324-L328 PolarHBondContact O-N 2.04Å |
| 329 | R | 78.7 | Confident | 68.6 | Low | 95 Ų | 95 | 74.8 Ų | 74.8 | 36% | 0.358 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -123.6 | 149.7 | 176.5 | -70.7 | 173.8 | -179.7 | -107.7 | 12.3 | 111.4 | G308 D309 F310 S324 T327 A331 | G308-R329 WeakPolarHBondContact O-CD 3.47Å; G308-R329 PolarHBondContact O-NH1 2.96Å; D309-R329 CarbonylContact O-C 3.48Å; D309-R329 WeakPolarHBondContact O-CA 3.31Å; D309-R329 VanDerWaalsContact O-CB 3.28Å; D309-R329 WeakPolarHBondContact O-CB 3.14Å; F310-R329 HydrophobicContact CD1-CG 3.64Å; F310-R329 HydrophobicContact CE1-CG 3.96Å; F310-R329 VanDerWaalsContact CE2-CZ 3.42Å; F310-R329 HydrophobicContact CG-CG 4.01Å; F310-R329 VanDerWaalsContact CZ-NH2 3.26Å; S324-R329 WeakPolarHBondContact CB-O 3.24Å; S324-R329 PolarHBondContact N-O 2.92Å; T327-R329 PolarHBondContact O-N 3.43Å; T327-R329 VanDerWaalsContact O-N 3.15Å; R329-A331 PolarHBondContact O-N 2.97Å |
| 330 | C | 78.4 | Confident | 68.4 | Low | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.014 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 121.1 | 169.2 | -64.7 | 0 | 0 | 0 | 0 | 109.3 | A305 Y306 G308 D309 C317 V322 | A305-C330 WeakPolarHBondContact CB-SG 3.4Å; Y306-C330 WeakPolarHBondContact O-CB 3.48Å; G308-C330 PolarHBondContact N-O 2.62Å; D309-C330 PolarHBondContact O-N 3.48Å; C317-C330 WeakPolarHBondContact CA-SG 3.37Å; C317-C330 HydrophobicContact CB-CB 3.8Å; C317-C330 WeakPolarHBondContact CB-SG 3.27Å; C317-C330 VanDerWaalsContact SG-CA 3.57Å; C317-C330 WeakPolarHBondContact SG-CB 3.42Å; C317-C330 CovalentContact SG-SG 2.03Å; C317-C330 PolarHBondContact SG-SG 3.46Å; V322-C330 CarbonylContact O-C 3.57Å; V322-C330 WeakPolarHBondContact O-CA 3.41Å |
| 331 | A | 79.8 | Confident | 68.3 | Low | 38 Ų | 38 | 70.7 Ų | 70.7 | 31% | 0.314 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 155.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S321 V322 R329 | S321-A331 CarbonylContact C-O 3.56Å; S321-A331 VanDerWaalsContact CA-O 3.3Å; S321-A331 WeakPolarHBondContact CA-O 3.42Å; S321-A331 WeakPolarHBondContact CB-O 3.44Å; V322-A331 PolarHBondContact N-O 3.15Å; V322-A331 PolarHBondContact O-N 2.92Å; R329-A331 PolarHBondContact O-N 2.97Å |
| 332 | C | 79.8 | Confident | 67.7 | Low | 31 Ų | 31 | 76.9 Ų | 76.9 | 21% | 0.209 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 132.7 | 172.3 | -67 | 0 | 0 | 0 | 0 | 110.3 | T336 Q338 C343 | C332-T336 WeakPolarHBondContact CB-O 3.31Å; C332-T336 WeakPolarHBondContact CB-OG1 3.04Å; C332-Q338 VanDerWaalsContact SG-CA 3.59Å; C332-Q338 PolarHBondContact SG-N 2.88Å; C332-C343 WeakPolarHBondContact CA-SG 3.39Å; C332-C343 HydrophobicContact CB-CB 3.81Å; C332-C343 WeakPolarHBondContact CB-SG 3.32Å; C332-C343 VanDerWaalsContact SG-CA 3.54Å; C332-C343 WeakPolarHBondContact SG-CB 3.18Å; C332-C343 CovalentContact SG-SG 2.04Å; C332-C343 PolarHBondContact SG-SG 2.94Å |
| 333 | P | 68.4 | Low | 67.4 | Low | 46 Ų | 46 | 73.2 Ų | 73.2 | 30% | 0.299 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -64 | 154.3 | 175.4 | 27.2 | -35 | 0 | 0 | 0 | 111 | R320 V322 G335 T336 | R320-P333 WeakPolarHBondContact O-CD 3.47Å; R320-P333 WeakPolarHBondContact O-CG 3.41Å; V322-P333 HydrophobicContact CG2-CB 4.32Å; P333-G335 PolarHBondContact O-N 2.71Å; P333-T336 VanDerWaalsContact CD-OG1 3.24Å; P333-T336 WeakPolarHBondContact CD-OG1 3.27Å; P333-T336 HydrophobicContact CG-CG2 4.42Å; P333-T336 PolarHBondContact O-N 2.81Å; P333-T336 PolarHBondContact O-OG1 2.66Å |
| 334 | M | 52.3 | Low | 67.3 | Low | 163 Ų | 163 | 72.7 Ų | 72.7 | 80% | 0.803 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 136.9 | -176.2 | -61.8 | -155.6 | 78.6 | 0 | 0 | 111.8 | ||
| 335 | G | 53.5 | Low | 66.6 | Low | 58 Ų | 58 | 76.2 Ų | 76.2 | 60% | 0.598 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -9.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P333 A346 | P333-G335 PolarHBondContact O-N 2.71Å; G335-A346 WeakPolarHBondContact O-CB 3.43Å; G335-A346 PolarHBondContact O-N 2.04Å |
| 336 | T | 71.1 | Confident | 66.1 | Low | 24 Ų | 24 | 72.3 Ų | 72.3 | 15% | 0.147 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.1 | 175.8 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | C332 P333 V344 | C332-T336 WeakPolarHBondContact CB-O 3.31Å; C332-T336 WeakPolarHBondContact CB-OG1 3.04Å; P333-T336 VanDerWaalsContact CD-OG1 3.24Å; P333-T336 WeakPolarHBondContact CD-OG1 3.27Å; P333-T336 HydrophobicContact CG-CG2 4.42Å; P333-T336 PolarHBondContact O-N 2.81Å; P333-T336 PolarHBondContact O-OG1 2.66Å; T336-V344 CarbonylContact C-O 3.53Å; T336-V344 VanDerWaalsContact CA-O 3.25Å; T336-V344 WeakPolarHBondContact CA-O 3.5Å; T336-V344 VanDerWaalsContact CB-O 3.29Å; T336-V344 WeakPolarHBondContact CB-O 3.19Å |
| 337 | K | 64.5 | Low | 65.3 | Low | 140 Ų | 140 | 70.9 Ų | 70.9 | 61% | 0.609 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.5 | 179.5 | 175.3 | 176.1 | 174.3 | -178 | 0 | 110.4 | S339 C343 V344 A346 | K337-S339 PolarHBondContact O-N 3.33Å; K337-C343 WeakPolarHBondContact O-CA 3.33Å; K337-V344 PolarHBondContact N-O 2.97Å; K337-V344 PolarHBondContact O-N 2.99Å; K337-A346 HydrophobicContact CB-CB 4Å |
| 338 | Q | 74.7 | Confident | 63.6 | Low | 92 Ų | 92 | 73.2 Ų | 73.2 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 119.9 | 168.4 | 176.8 | 167.4 | 4.6 | 0 | 0 | 110.8 | P307 C332 G340 | P307-Q338 HydrophobicContact CB-CB 4.16Å; P307-Q338 HydrophobicContact CB-CG 3.89Å; P307-Q338 PolarHBondContact O-NE2 3.33Å; P307-Q338 PolarHBondContact O-OE1 3.16Å; C332-Q338 VanDerWaalsContact SG-CA 3.59Å; C332-Q338 PolarHBondContact SG-N 2.88Å; Q338-G340 VanDerWaalsContact CG-O 3.28Å; Q338-G340 WeakPolarHBondContact CG-O 3.44Å; Q338-G340 PolarHBondContact NE2-O 3.39Å |
| 339 | S | 64.2 | Low | 61.8 | Low | 75 Ų | 75 | 77.3 Ų | 77.3 | 52% | 0.524 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 104.6 | 167.2 | -166.9 | 0 | 0 | 0 | 0 | 108.2 | K337 S341 R342 | K337-S339 PolarHBondContact O-N 3.33Å; S339-S341 PolarHBondContact O-N 2.86Å; S339-R342 PolarHBondContact N-O 3.26Å; S339-R342 PolarHBondContact O-N 3.01Å |
| 340 | G | 67.7 | Low | 59.4 | Low | 58 Ų | 58 | 80.6 Ų | 80.6 | 60% | 0.598 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -123.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q338 | Q338-G340 VanDerWaalsContact CG-O 3.28Å; Q338-G340 WeakPolarHBondContact CG-O 3.44Å; Q338-G340 PolarHBondContact NE2-O 3.39Å |
| 341 | S | 61 | Low | 56.9 | Low | 72 Ų | 72 | 88.9 Ų | 88.9 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 5.7 | 178.5 | -52.4 | 0 | 0 | 0 | 0 | 114.4 | Y306 P307 E319 S339 | Y306-S341 WeakPolarHBondContact CD1-O 3.26Å; P307-S341 WeakPolarHBondContact CD-O 3.48Å; E319-S341 WeakPolarHBondContact CB-O 3.4Å; S339-S341 PolarHBondContact O-N 2.86Å |
| 342 | R | 60.6 | Low | 54.7 | Low | 137 Ų | 137 | 93.4 Ų | 93.4 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.6 | -173.2 | -171 | 169.3 | -168.1 | 109.3 | -9.7 | 112.9 | E319 S339 V344 | E319-R342 HydrophobicContact CB-CB 4.26Å; E319-R342 HydrophobicContact CB-CG 4.16Å; E319-R342 IonicContact OE1-NH1 3.57Å; E319-R342 PolarHBondContact OE1-NH1 2.79Å; E319-R342 WeakPolarHBondContact OE2-CB 3.39Å; E319-R342 WeakPolarHBondContact OE2-CD 3.25Å; E319-R342 WeakPolarHBondContact OE2-CG 3.07Å; E319-R342 IonicContact OE2-CZ 2.86Å; E319-R342 IonicContact OE2-NE 3.41Å; E319-R342 IonicContact OE2-NH1 2.62Å; E319-R342 PolarHBondContact OE2-NH1 3.11Å; S339-R342 PolarHBondContact N-O 3.26Å; S339-R342 PolarHBondContact O-N 3.01Å; R342-V344 HydrophobicContact CG-CG1 4.22Å; R342-V344 PolarHBondContact O-N 2.81Å |
| 343 | C | 69.3 | Low | 52.8 | Low | 2 Ų | 2 | 96.3 Ų | 96.3 | 1% | 0.014 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 104.2 | 162.3 | -59.1 | 0 | 0 | 0 | 0 | 108.5 | P307 E319 R320 C332 K337 | P307-C343 VanDerWaalsContact CG-SG 3.52Å; E319-C343 VanDerWaalsContact O-CB 3.26Å; E319-C343 WeakPolarHBondContact O-CB 3.02Å; E319-C343 PolarHBondContact O-N 3.13Å; R320-C343 HydrophobicContact CB-CB 3.88Å; C332-C343 WeakPolarHBondContact CA-SG 3.39Å; C332-C343 HydrophobicContact CB-CB 3.81Å; C332-C343 WeakPolarHBondContact CB-SG 3.32Å; C332-C343 VanDerWaalsContact SG-CA 3.54Å; C332-C343 WeakPolarHBondContact SG-CB 3.18Å; C332-C343 CovalentContact SG-SG 2.04Å; C332-C343 PolarHBondContact SG-SG 2.94Å; K337-C343 WeakPolarHBondContact O-CA 3.33Å |
| 344 | V | 74.2 | Confident | 51.9 | Low | 54 Ų | 54 | 94.6 Ų | 94.6 | 33% | 0.327 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 151.2 | 169.9 | -65.1 | 0 | 0 | 0 | 0 | 109 | T336 K337 R342 A346 | T336-V344 CarbonylContact C-O 3.53Å; T336-V344 VanDerWaalsContact CA-O 3.25Å; T336-V344 WeakPolarHBondContact CA-O 3.5Å; T336-V344 VanDerWaalsContact CB-O 3.29Å; T336-V344 WeakPolarHBondContact CB-O 3.19Å; K337-V344 PolarHBondContact N-O 2.97Å; K337-V344 PolarHBondContact O-N 2.99Å; R342-V344 HydrophobicContact CG-CG1 4.22Å; R342-V344 PolarHBondContact O-N 2.81Å; V344-A346 PolarHBondContact O-N 3.47Å |
| 345 | D | 53.4 | Low | 52.1 | Low | 101 Ų | 101 | 88.8 Ų | 88.8 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 125.2 | 169.6 | -62.9 | -47.1 | 0 | 0 | 0 | 108.5 | R320 P347 | R320-D345 IonicContact CZ-OD1 2.91Å; R320-D345 IonicContact CZ-OD2 3.68Å; R320-D345 IonicContact NH1-OD1 3.79Å; R320-D345 PolarHBondContact NH1-OD1 2.93Å; R320-D345 IonicContact NH1-OD2 2.66Å; R320-D345 PolarHBondContact NH1-OD2 3.14Å; R320-D345 IonicContact NH2-OD2 3.12Å; D345-P347 WeakPolarHBondContact O-CD 3.42Å |
| 346 | A | 46.7 | Very low | 52.2 | Low | 34 Ų | 34 | 91 Ų | 91 | 28% | 0.281 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 122.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | G335 K337 V344 | G335-A346 WeakPolarHBondContact O-CB 3.43Å; G335-A346 PolarHBondContact O-N 2.04Å; K337-A346 HydrophobicContact CB-CB 4Å; V344-A346 PolarHBondContact O-N 3.47Å |
| 347 | P | 40.9 | Very low | 51.9 | Low | 102 Ų | 102 | 91.3 Ų | 91.3 | 66% | 0.662 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 128.4 | 168.2 | -23.5 | 34.4 | 0 | 0 | 0 | 107.9 | D345 H349 | D345-P347 WeakPolarHBondContact O-CD 3.42Å; P347-H349 PolarHBondContact O-N 3.38Å |
| 348 | P | 30.8 | Very low | 51.8 | Low | 128 Ų | 128 | 88.7 Ų | 88.7 | 83% | 0.831 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -67.4 | 86.7 | -150.5 | 22.7 | -35 | 0 | 0 | 0 | 113.8 | ||
| 349 | H | 27.7 | Very low | 51.7 | Low | 171 Ų | 171 | 89 Ų | 89 | 79% | 0.792 | 50% | 0.501 | S | S | * | . | trans | -143.1 | 109.2 | -176.3 | -81.4 | -17.5 | 0 | 0 | 0 | 112.4 | P347 | P347-H349 PolarHBondContact O-N 3.38Š| ||
| 350 | K | 28 | Very low | 51.7 | Low | 165 Ų | 165 | 85.4 Ų | 85.4 | 72% | 0.717 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 54 | 75.5 | 153.6 | -68.1 | -160.7 | 163 | -138.9 | 0 | 118.1 | ||
| 351 | E | 26.9 | Very low | 51.3 | Low | 176 Ų | 176 | 89.2 Ų | 89.2 | 82% | 0.822 | 48% | 0.483 | S | S | * | . | S | Bend | -148.3 | 31.2 | 128.5 | -136.8 | 169.7 | -122.7 | 0 | 0 | 112.4 | |||
| 352 | V | 34.2 | Very low | 51.3 | Low | 133 Ų | 133 | 90.5 Ų | 90.5 | 81% | 0.806 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -104.1 | 141.6 | 169.1 | -177.1 | 0 | 0 | 0 | 0 | 107.4 | A354 | V352-A354 PolarHBondContact O-N 2.96Š|
| 353 | L | 38.8 | Very low | 51.3 | Low | 92 Ų | 92 | 89 Ų | 89 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 130.8 | 171 | -72.8 | 162.5 | 0 | 0 | 0 | 109.6 | A355 T364 D365 I367 | L353-A355 PolarHBondContact O-N 2.88Å; L353-A355 VanDerWaalsContact O-N 3.16Å; L353-T364 WeakPolarHBondContact CD2-O 3.44Å; L353-D365 CarbonylContact C-O 3.56Å; L353-D365 WeakPolarHBondContact CA-O 3.46Å; L353-D365 WeakPolarHBondContact CD2-O 3.49Å; L353-I367 HydrophobicContact CB-CG2 3.85Å; L353-I367 WeakPolarHBondContact O-CG2 3.46Å |
| 354 | A | 48.7 | Very low | 50.9 | Low | 9 Ų | 9 | 94 Ų | 94 | 7% | 0.074 | 52% | 0.516 | C | S | . | . | B | Isolated β-bridge | trans | -54.6 | 116.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V352 D358 D365 C366 I367 C381 | V352-A354 PolarHBondContact O-N 2.96Å; A354-D358 HydrophobicContact CB-CB 3.47Å; A354-D358 VanDerWaalsContact CB-CB 3.47Å; A354-D365 WeakPolarHBondContact CB-O 3.18Å; A354-D365 PolarHBondContact N-O 2.88Å; A354-C366 WeakPolarHBondContact O-CA 3.05Å; A354-I367 PolarHBondContact O-N 2.88Å; A354-C381 WeakPolarHBondContact CB-SG 3.26Å |
| 355 | A | 56.8 | Low | 50.4 | Low | 41 Ų | 41 | 93.9 Ų | 93.9 | 34% | 0.339 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 172.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L353 G357 D358 C381 | L353-A355 PolarHBondContact O-N 2.88Å; L353-A355 VanDerWaalsContact O-N 3.16Å; A355-G357 PolarHBondContact O-N 2.83Å; A355-D358 PolarHBondContact N-OD2 2.93Å; A355-D358 WeakPolarHBondContact O-CB 3.43Å; A355-D358 PolarHBondContact O-N 3.24Å; A355-C381 WeakPolarHBondContact O-CB 3.09Å |
| 356 | I | 55.1 | Low | 51.3 | Low | 105 Ų | 105 | 89.4 Ų | 89.4 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 114.2 | 175.9 | -60.5 | 157.8 | 0 | 0 | 0 | 108.9 | I367 A370 C381 C383 | I356-I367 HydrophobicContact CG1-CD1 4.28Å; I356-A370 HydrophobicContact CG1-CB 4.04Å; I356-C381 CarbonylContact C-O 3.54Å; I356-C381 VanDerWaalsContact CA-O 3.3Å; I356-C381 WeakPolarHBondContact CA-O 3.36Å; I356-C383 HydrophobicContact CD1-CB 4.43Å; I356-C383 WeakPolarHBondContact CD1-SG 3.43Å |
| 357 | G | 65 | Low | 52.5 | Low | 31 Ų | 31 | 90.6 Ų | 90.6 | 32% | 0.32 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.8 | -11.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116 | A355 R380 C381 | A355-G357 PolarHBondContact O-N 2.83Å; G357-R380 WeakPolarHBondContact O-CD 3.24Å; G357-R380 VanDerWaalsContact O-CZ 3.28Å; G357-R380 PolarHBondContact O-NE 3.35Å; G357-R380 PolarHBondContact O-NH2 3.38Å; G357-C381 PolarHBondContact N-O 2.87Å |
| 358 | D | 62.9 | Low | 52.9 | Low | 85 Ų | 85 | 93.4 Ų | 93.4 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -76.2 | 158.4 | 172 | -87.1 | -42.2 | 0 | 0 | 0 | 112.3 | A354 A355 R380 C381 | A354-D358 HydrophobicContact CB-CB 3.47Å; A354-D358 VanDerWaalsContact CB-CB 3.47Å; A355-D358 PolarHBondContact N-OD2 2.93Å; A355-D358 WeakPolarHBondContact O-CB 3.43Å; A355-D358 PolarHBondContact O-N 3.24Å; D358-R380 CarbonylContact O-C 3.44Å; D358-R380 WeakPolarHBondContact O-CA 3.27Å; D358-R380 WeakPolarHBondContact O-CG 3.45Å; D358-C381 PolarHBondContact O-N 2.87Å |
| 359 | Y | 72.3 | Confident | 54 | Low | 97 Ų | 97 | 89.8 Ų | 89.8 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | B | Isolated β-bridge | trans | -82.3 | 130.7 | 178.1 | -59.5 | -55.5 | 0 | 0 | 0 | 112.5 | R378 P379 R380 | Y359-R378 HydrophobicContact CD1-CB 3.41Å; Y359-R378 VanDerWaalsContact CD1-CB 3.41Å; Y359-R378 HydrophobicContact CD1-CG 4.23Å; Y359-R378 HydrophobicContact CE1-CB 3.38Å; Y359-R378 HydrophobicContact CE1-CG 4.28Å; Y359-R378 HydrophobicContact CG-CB 4.31Å; Y359-P379 WeakPolarHBondContact CA-O 3.49Å; Y359-R380 HydrophobicContact CD1-CG 3.54Å; Y359-R380 HydrophobicContact CE1-CG 3.78Å; Y359-R380 VanDerWaalsContact CE1-NE 3.25Å |
| 360 | C | 64 | Low | 55.8 | Low | 1 Ų | 1 | 82.4 Ų | 82.4 | 1% | 0.007 | 46% | 0.455 | C | S | . | . | trans | -122.9 | 149 | 176.1 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | D365 C372 P379 C381 | C360-D365 HydrophobicContact CB-CB 3.82Å; C360-C372 HydrophobicContact CB-CB 4.02Å; C360-C372 WeakPolarHBondContact CB-SG 3.4Å; C360-C372 PolarHBondContact O-SG 3.16Å; C360-C372 VanDerWaalsContact O-SG 3.41Å; C360-C372 WeakPolarHBondContact SG-CA 3.22Å; C360-C372 WeakPolarHBondContact SG-CB 3.34Å; C360-C372 CovalentContact SG-SG 2.03Å; C360-C372 PolarHBondContact SG-SG 2.82Å; C360-P379 PolarHBondContact N-O 3.09Å; C360-P379 WeakPolarHBondContact O-CG 3.34Å; C360-C381 VanDerWaalsContact SG-SG 3.69Å | ||
| 361 | D | 60.5 | Low | 57.8 | Low | 138 Ų | 138 | 78.2 Ų | 78.2 | 74% | 0.738 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -102.9 | -24.3 | 169.5 | -64 | -59.4 | 0 | 0 | 0 | 110.5 | D365 | D361-D365 PolarHBondContact N-OD2 2.66Š|
| 362 | I | 61.2 | Low | 59.7 | Low | 99 Ų | 99 | 70.7 Ų | 70.7 | 51% | 0.508 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -141.4 | 157.3 | 173.7 | 51.6 | 179.5 | 0 | 0 | 0 | 112 | T364 D365 | I362-T364 WeakPolarHBondContact CD1-OG1 3.41Å; I362-T364 WeakPolarHBondContact CG1-OG1 3.43Å; I362-T364 PolarHBondContact O-N 3.2Å; I362-T364 VanDerWaalsContact O-N 3.09Å; I362-D365 WeakPolarHBondContact CG1-OD1 3.4Å; I362-D365 WeakPolarHBondContact CG1-OD2 3.32Å; I362-D365 PolarHBondContact N-OD2 2.98Å; I362-D365 WeakPolarHBondContact O-CB 3.22Å; I362-D365 VanDerWaalsContact O-CG 3.31Å; I362-D365 PolarHBondContact O-N 3.22Å |
| 363 | N | 60.1 | Low | 61.4 | Low | 104 Ų | 104 | 67.6 Ų | 67.6 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -56.4 | -27.2 | -179.6 | -80.6 | -19.1 | 0 | 0 | 0 | 114.5 | D365 C366 C372 | N363-D365 PolarHBondContact O-N 3.24Å; N363-C366 PolarHBondContact O-N 3.19Å; N363-C372 WeakPolarHBondContact OD1-CB 3.48Å; N363-C372 PolarHBondContact OD1-N 2.8Å |
| 364 | T | 61.2 | Low | 61.9 | Low | 107 Ų | 107 | 67.9 Ų | 67.9 | 66% | 0.656 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -75.4 | -7.6 | 178.2 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | L353 I362 C366 | L353-T364 WeakPolarHBondContact CD2-O 3.44Å; I362-T364 WeakPolarHBondContact CD1-OG1 3.41Å; I362-T364 WeakPolarHBondContact CG1-OG1 3.43Å; I362-T364 PolarHBondContact O-N 3.2Å; I362-T364 VanDerWaalsContact O-N 3.09Å; T364-C366 VanDerWaalsContact C-N 3.3Å |
| 365 | D | 63.8 | Low | 61.6 | Low | 52 Ų | 52 | 69 Ų | 69 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -77.1 | -22.3 | 172.8 | -54.7 | -28.5 | 0 | 0 | 0 | 111.3 | L353 A354 C360 D361 I362 N363 | L353-D365 CarbonylContact C-O 3.56Å; L353-D365 WeakPolarHBondContact CA-O 3.46Å; L353-D365 WeakPolarHBondContact CD2-O 3.49Å; A354-D365 WeakPolarHBondContact CB-O 3.18Å; A354-D365 PolarHBondContact N-O 2.88Å; C360-D365 HydrophobicContact CB-CB 3.82Å; D361-D365 PolarHBondContact N-OD2 2.66Å; I362-D365 WeakPolarHBondContact CG1-OD1 3.4Å; I362-D365 WeakPolarHBondContact CG1-OD2 3.32Å; I362-D365 PolarHBondContact N-OD2 2.98Å; I362-D365 WeakPolarHBondContact O-CB 3.22Å; I362-D365 VanDerWaalsContact O-CG 3.31Å; I362-D365 PolarHBondContact O-N 3.22Å; N363-D365 PolarHBondContact O-N 3.24Å |
| 366 | C | 71.1 | Confident | 61 | Low | 7 Ų | 7 | 72.9 Ų | 72.9 | 5% | 0.047 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -82.2 | 152.9 | -172.7 | -62.9 | 0 | 0 | 0 | 0 | 114.1 | A354 N363 T364 A370 C381 | A354-C366 WeakPolarHBondContact O-CA 3.05Å; N363-C366 PolarHBondContact O-N 3.19Å; T364-C366 VanDerWaalsContact C-N 3.3Å; C366-A370 HydrophobicContact CB-CB 4.23Å; C366-C381 WeakPolarHBondContact CA-SG 3.48Å; C366-C381 HydrophobicContact CB-CB 3.76Å; C366-C381 WeakPolarHBondContact CB-SG 3.27Å; C366-C381 VanDerWaalsContact SG-CA 3.54Å; C366-C381 WeakPolarHBondContact SG-CB 3.47Å; C366-C381 CovalentContact SG-SG 2.03Å; C366-C381 PolarHBondContact SG-SG 3.5Å |
| 367 | I | 72.1 | Confident | 60.4 | Low | 60 Ų | 60 | 70 Ų | 70 | 31% | 0.308 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 150.7 | 165.5 | 65.7 | 169.2 | 0 | 0 | 0 | 111.6 | L353 A354 I356 G369 A370 | L353-I367 HydrophobicContact CB-CG2 3.85Å; L353-I367 WeakPolarHBondContact O-CG2 3.46Å; A354-I367 PolarHBondContact O-N 2.88Å; I356-I367 HydrophobicContact CG1-CD1 4.28Å; I367-G369 PolarHBondContact O-N 3.16Å; I367-A370 HydrophobicContact CG1-CB 4.25Å; I367-A370 PolarHBondContact O-N 2.72Å |
| 368 | N | 49.7 | Very low | 59.6 | Low | 160 Ų | 160 | 76.9 Ų | 76.9 | 86% | 0.856 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 127.4 | 176.7 | -68.1 | -28.7 | 0 | 0 | 0 | 111.4 | ||
| 369 | G | 53.6 | Low | 59.5 | Low | 52 Ų | 52 | 74.8 Ų | 74.8 | 54% | 0.536 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -12.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | I367 C383 | I367-G369 PolarHBondContact O-N 3.16Å; G369-C383 PolarHBondContact O-SG 2.99Å |
| 370 | A | 66 | Low | 59.6 | Low | 16 Ų | 16 | 75.2 Ų | 75.2 | 13% | 0.132 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 149.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I356 C366 I367 C381 E382 | I356-A370 HydrophobicContact CG1-CB 4.04Å; C366-A370 HydrophobicContact CB-CB 4.23Å; I367-A370 HydrophobicContact CG1-CB 4.25Å; I367-A370 PolarHBondContact O-N 2.72Å; A370-C381 HydrophobicContact CB-CB 3.89Å; A370-E382 CarbonylContact C-O 3.35Å; A370-E382 VanDerWaalsContact CA-O 3.29Å; A370-E382 WeakPolarHBondContact CA-O 3.5Å |
| 371 | Y | 70.5 | Confident | 59.3 | Low | 78 Ų | 78 | 75.1 Ų | 75.1 | 31% | 0.306 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 152.5 | 175.1 | 78.5 | -78.6 | 0 | 0 | 0 | 110 | H373 C381 E382 L384 | Y371-H373 HydrophobicContact CD2-CB 4.39Å; Y371-H373 HydrophobicContact CE2-CB 3.6Å; Y371-H373 AromaticContact CE2-CG 3.98Å; Y371-H373 AromaticContact CE2-ND1 3.59Å; Y371-H373 AromaticContact CZ-CG 3.94Å; Y371-H373 AromaticContact CZ-ND1 3.66Å; Y371-H373 PolarHBondContact O-N 2.83Å; Y371-H373 VanDerWaalsContact O-N 3.08Å; Y371-H373 PolarHBondContact OH-ND1 2.95Å; Y371-C381 CarbonylContact O-C 3.6Å; Y371-C381 WeakPolarHBondContact O-CA 3.44Å; Y371-E382 WeakPolarHBondContact CD1-O 3.43Å; Y371-E382 HydrophobicContact CE1-CB 4.13Å; Y371-E382 WeakPolarHBondContact CE1-O 3.31Å; Y371-E382 PolarHBondContact N-O 3.27Å; Y371-E382 PolarHBondContact O-N 3.35Å; Y371-L384 HydrophobicContact CD1-CG 4.22Å; Y371-L384 HydrophobicContact CE1-CD2 4.38Å; Y371-L384 HydrophobicContact CE1-CG 4.16Å |
| 372 | C | 66.1 | Low | 59.6 | Low | 17 Ų | 17 | 72.5 Ų | 72.5 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 96.4 | -177.6 | -161.2 | 0 | 0 | 0 | 0 | 110.3 | C360 N363 R380 | C360-C372 HydrophobicContact CB-CB 4.02Å; C360-C372 WeakPolarHBondContact CB-SG 3.4Å; C360-C372 PolarHBondContact O-SG 3.16Å; C360-C372 VanDerWaalsContact O-SG 3.41Å; C360-C372 WeakPolarHBondContact SG-CA 3.22Å; C360-C372 WeakPolarHBondContact SG-CB 3.34Å; C360-C372 CovalentContact SG-SG 2.03Å; C360-C372 PolarHBondContact SG-SG 2.82Å; N363-C372 WeakPolarHBondContact OD1-CB 3.48Å; N363-C372 PolarHBondContact OD1-N 2.8Å; C372-R380 CarbonylContact C-O 3.54Å |
| 373 | H | 69 | Low | 59.3 | Low | 69 Ų | 69 | 70.4 Ų | 70.4 | 32% | 0.319 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120 | -178.7 | -172.3 | 65.8 | 0 | 0 | 0 | 112 | Y371 G375 P379 R380 E382 | Y371-H373 HydrophobicContact CD2-CB 4.39Å; Y371-H373 HydrophobicContact CE2-CB 3.6Å; Y371-H373 AromaticContact CE2-CG 3.98Å; Y371-H373 AromaticContact CE2-ND1 3.59Å; Y371-H373 AromaticContact CZ-CG 3.94Å; Y371-H373 AromaticContact CZ-ND1 3.66Å; Y371-H373 PolarHBondContact O-N 2.83Å; Y371-H373 VanDerWaalsContact O-N 3.08Å; Y371-H373 PolarHBondContact OH-ND1 2.95Å; H373-G375 VanDerWaalsContact C-N 3.28Å; H373-G375 PolarHBondContact CD2-N 3.16Å; H373-G375 WeakPolarHBondContact NE2-CA 3.49Å; H373-G375 PolarHBondContact O-N 2.99Å; H373-P379 WeakPolarHBondContact O-CA 3.12Å; H373-R380 PolarHBondContact N-O 3.25Å; H373-R380 PolarHBondContact O-N 3.01Å; H373-R380 VanDerWaalsContact O-N 3.15Å; H373-E382 HydrophobicContact CB-CB 4.08Å; H373-E382 HydrophobicContact CB-CG 3.97Å; H373-E382 WeakPolarHBondContact CB-OE2 3.06Å; H373-E382 IonicContact CD2-OE2 3.11Å; H373-E382 PolarHBondContact CD2-OE2 3.33Å; H373-E382 VanDerWaalsContact CD2-OE2 3.24Å; H373-E382 IonicContact CG-OE2 3.63Å |
| 374 | S | 50.1 | Low | 58 | Low | 97 Ų | 97 | 71.7 Ų | 71.7 | 68% | 0.678 | 41% | 0.412 | S | S | * | . | trans | -89.6 | 40.1 | -178 | -53.1 | 0 | 0 | 0 | 0 | 113.7 | S376 | S374-S376 PolarHBondContact O-N 3.24Š| ||
| 375 | G | 43.5 | Very low | 56.8 | Low | 33 Ų | 33 | 70.9 Ų | 70.9 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -85.6 | 96.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H373 G377 | H373-G375 VanDerWaalsContact C-N 3.28Å; H373-G375 PolarHBondContact CD2-N 3.16Å; H373-G375 WeakPolarHBondContact NE2-CA 3.49Å; H373-G375 PolarHBondContact O-N 2.99Å; G375-G377 PolarHBondContact O-N 2.92Å |
| 376 | S | 43.4 | Very low | 55.3 | Low | 123 Ų | 123 | 74.4 Ų | 74.4 | 86% | 0.86 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 55.8 | -5.9 | 164.9 | 69.3 | 0 | 0 | 0 | 0 | 119.8 | S374 | S374-S376 PolarHBondContact O-N 3.24Š|
| 377 | G | 42.8 | Very low | 53.4 | Low | 43 Ų | 43 | 82.7 Ų | 82.7 | 44% | 0.443 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -121.1 | -159.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G375 | G375-G377 PolarHBondContact O-N 2.92Š|
| 378 | R | 48 | Very low | 51.6 | Low | 176 Ų | 176 | 85.8 Ų | 85.8 | 66% | 0.664 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -59.7 | 137.3 | 162.6 | -101.5 | -174.9 | 173 | 165.4 | -2.7 | 109 | Y359 R380 | Y359-R378 HydrophobicContact CD1-CB 3.41Å; Y359-R378 VanDerWaalsContact CD1-CB 3.41Å; Y359-R378 HydrophobicContact CD1-CG 4.23Å; Y359-R378 HydrophobicContact CE1-CB 3.38Å; Y359-R378 HydrophobicContact CE1-CG 4.28Å; Y359-R378 HydrophobicContact CG-CB 4.31Å; R378-R380 PolarHBondContact O-N 3.16Å |
| 379 | P | 61.6 | Low | 51 | Low | 41 Ų | 41 | 87.2 Ų | 87.2 | 27% | 0.266 | 50% | 0.495 | S | S | . | . | trans | -55.2 | 137.9 | 174.6 | 18.3 | -28.4 | 0 | 0 | 0 | 111.8 | Y359 C360 H373 | Y359-P379 WeakPolarHBondContact CA-O 3.49Å; C360-P379 PolarHBondContact N-O 3.09Å; C360-P379 WeakPolarHBondContact O-CG 3.34Å; H373-P379 WeakPolarHBondContact O-CA 3.12Å | ||
| 380 | R | 72.4 | Confident | 50.5 | Low | 106 Ų | 106 | 88.2 Ų | 88.2 | 40% | 0.4 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 149.4 | -174.1 | -82.5 | -179.9 | 155.1 | -180 | -10.4 | 111.8 | G357 D358 Y359 C372 H373 R378 E382 | G357-R380 WeakPolarHBondContact O-CD 3.24Å; G357-R380 VanDerWaalsContact O-CZ 3.28Å; G357-R380 PolarHBondContact O-NE 3.35Å; G357-R380 PolarHBondContact O-NH2 3.38Å; D358-R380 CarbonylContact O-C 3.44Å; D358-R380 WeakPolarHBondContact O-CA 3.27Å; D358-R380 WeakPolarHBondContact O-CG 3.45Å; Y359-R380 HydrophobicContact CD1-CG 3.54Å; Y359-R380 HydrophobicContact CE1-CG 3.78Å; Y359-R380 VanDerWaalsContact CE1-NE 3.25Å; C372-R380 CarbonylContact C-O 3.54Å; H373-R380 PolarHBondContact N-O 3.25Å; H373-R380 PolarHBondContact O-N 3.01Å; H373-R380 VanDerWaalsContact O-N 3.15Å; R378-R380 PolarHBondContact O-N 3.16Å; R380-E382 PolarHBondContact O-N 3.3Å |
| 381 | C | 57.8 | Low | 49.9 | Very low | 0 Ų | 0 | 93.3 Ų | 93.3 | 0% | 0 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 111.3 | 170.7 | -59.6 | 0 | 0 | 0 | 0 | 109.4 | A354 A355 I356 G357 D358 C360 C366 A370 Y371 | A354-C381 WeakPolarHBondContact CB-SG 3.26Å; A355-C381 WeakPolarHBondContact O-CB 3.09Å; I356-C381 CarbonylContact C-O 3.54Å; I356-C381 VanDerWaalsContact CA-O 3.3Å; I356-C381 WeakPolarHBondContact CA-O 3.36Å; G357-C381 PolarHBondContact N-O 2.87Å; D358-C381 PolarHBondContact O-N 2.87Å; C360-C381 VanDerWaalsContact SG-SG 3.69Å; C366-C381 WeakPolarHBondContact CA-SG 3.48Å; C366-C381 HydrophobicContact CB-CB 3.76Å; C366-C381 WeakPolarHBondContact CB-SG 3.27Å; C366-C381 VanDerWaalsContact SG-CA 3.54Å; C366-C381 WeakPolarHBondContact SG-CB 3.47Å; C366-C381 CovalentContact SG-SG 2.03Å; C366-C381 PolarHBondContact SG-SG 3.5Å; A370-C381 HydrophobicContact CB-CB 3.89Å; Y371-C381 CarbonylContact O-C 3.6Å; Y371-C381 WeakPolarHBondContact O-CA 3.44Å |
| 382 | E | 66.7 | Low | 49.4 | Very low | 83 Ų | 83 | 93.1 Ų | 93.1 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 146.3 | 174.2 | -69.9 | -169.3 | 161.1 | 0 | 0 | 110.1 | A370 Y371 H373 R380 | A370-E382 CarbonylContact C-O 3.35Å; A370-E382 VanDerWaalsContact CA-O 3.29Å; A370-E382 WeakPolarHBondContact CA-O 3.5Å; Y371-E382 WeakPolarHBondContact CD1-O 3.43Å; Y371-E382 HydrophobicContact CE1-CB 4.13Å; Y371-E382 WeakPolarHBondContact CE1-O 3.31Å; Y371-E382 PolarHBondContact N-O 3.27Å; Y371-E382 PolarHBondContact O-N 3.35Å; H373-E382 HydrophobicContact CB-CB 4.08Å; H373-E382 HydrophobicContact CB-CG 3.97Å; H373-E382 WeakPolarHBondContact CB-OE2 3.06Å; H373-E382 IonicContact CD2-OE2 3.11Å; H373-E382 PolarHBondContact CD2-OE2 3.33Å; H373-E382 VanDerWaalsContact CD2-OE2 3.24Å; H373-E382 IonicContact CG-OE2 3.63Å; R380-E382 PolarHBondContact O-N 3.3Å |
| 383 | C | 55.2 | Low | 49.9 | Very low | 55 Ų | 55 | 92.8 Ų | 92.8 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 151.4 | 165.8 | -86.6 | 0 | 0 | 0 | 0 | 111.1 | I356 G369 S385 | I356-C383 HydrophobicContact CD1-CB 4.43Å; I356-C383 WeakPolarHBondContact CD1-SG 3.43Å; G369-C383 PolarHBondContact O-SG 2.99Å; C383-S385 PolarHBondContact O-N 3.03Å |
| 384 | L | 33.8 | Very low | 50.8 | Low | 130 Ų | 130 | 93.8 Ų | 93.8 | 68% | 0.681 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -66.7 | 124.4 | 164.3 | -82.8 | 162 | 0 | 0 | 0 | 110.2 | Y371 | Y371-L384 HydrophobicContact CD1-CG 4.22Å; Y371-L384 HydrophobicContact CE1-CD2 4.38Å; Y371-L384 HydrophobicContact CE1-CG 4.16Å |
| 385 | S | 35.3 | Very low | 52.4 | Low | 90 Ų | 90 | 89.3 Ų | 89.3 | 63% | 0.629 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 83.9 | 96.3 | 168.8 | -143.8 | 0 | 0 | 0 | 0 | 119.1 | C383 H387 | C383-S385 PolarHBondContact O-N 3.03Å; S385-H387 PolarHBondContact O-N 3.5Å |
| 386 | T | 32.8 | Very low | 54.1 | Low | 127 Ų | 127 | 90.1 Ų | 90.1 | 78% | 0.779 | 49% | 0.492 | S | S | * | . | 55.7 | 17.4 | 125.7 | 65.1 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 387 | H | 30.3 | Very low | 56 | Low | 181 Ų | 181 | 87.9 Ų | 87.9 | 84% | 0.838 | 47% | 0.468 | S | S | * | . | trans | -119.7 | 79.6 | 168.8 | -74.3 | 17.5 | 0 | 0 | 0 | 111.1 | S385 | S385-H387 PolarHBondContact O-N 3.5Š| ||
| 388 | V | 36 | Very low | 57.8 | Low | 124 Ų | 124 | 93.6 Ų | 93.6 | 75% | 0.752 | 48% | 0.484 | S | S | * | . | trans | -81.4 | 123.7 | 155.3 | -177.3 | 0 | 0 | 0 | 0 | 106.3 | I390 | V388-I390 HydrophobicContact CB-CG1 4.44Å; V388-I390 HydrophobicContact CG1-CG1 3.94Å; V388-I390 PolarHBondContact O-N 3.22Å | ||
| 389 | E | 37.1 | Very low | 59.2 | Low | 190 Ų | 190 | 87.8 Ų | 87.8 | 89% | 0.888 | 48% | 0.478 | S | S | * | . | trans | -75.6 | 66.8 | 178.4 | -161.5 | 160.4 | -127.7 | 0 | 0 | 110.4 | ||||
| 390 | I | 43.1 | Very low | 60.3 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | trans | -75.9 | 114 | 158.1 | -58 | 178.9 | 0 | 0 | 0 | 105 | V388 L392 Q405 | V388-I390 HydrophobicContact CB-CG1 4.44Å; V388-I390 HydrophobicContact CG1-CG1 3.94Å; V388-I390 PolarHBondContact O-N 3.22Å; I390-L392 PolarHBondContact O-N 3.03Å; I390-Q405 HydrophobicContact CG2-CB 4.25Å; I390-Q405 HydrophobicContact CG2-CG 3.65Å | ||
| 391 | D | 52.8 | Low | 60.5 | Low | 123 Ų | 123 | 85.8 Ų | 85.8 | 66% | 0.658 | 48% | 0.481 | S | S | * | . | trans | -54.8 | 107.3 | 171 | -90.1 | -44.5 | 0 | 0 | 0 | 108.9 | V393 Q405 | D391-V393 PolarHBondContact O-N 3.21Å; D391-Q405 WeakPolarHBondContact O-CB 3.45Å; D391-Q405 WeakPolarHBondContact O-CG 3.38Å; D391-Q405 PolarHBondContact O-NE2 2.75Å | ||
| 392 | L | 59.9 | Low | 61.5 | Low | 74 Ų | 74 | 89.6 Ų | 89.6 | 39% | 0.387 | 50% | 0.501 | S | S | . | . | trans | -82.5 | 100.5 | -168.1 | -172.6 | 73.6 | 0 | 0 | 0 | 109.3 | I390 Y394 A408 A409 | I390-L392 PolarHBondContact O-N 3.03Å; L392-Y394 HydrophobicContact CD2-CE1 4.37Å; L392-Y394 HydrophobicContact CD2-CE2 3.98Å; L392-Y394 HydrophobicContact CG-CE2 4.36Å; L392-A408 HydrophobicContact CD1-CB 3.66Å; L392-A409 HydrophobicContact CD1-CB 3.82Å; L392-A409 HydrophobicContact CG-CB 4.1Å | ||
| 393 | V | 76.1 | Confident | 62.4 | Low | 11 Ų | 11 | 89.5 Ų | 89.5 | 7% | 0.067 | 50% | 0.504 | C | S | . | . | trans | -98 | 111.3 | -177.9 | -176 | 0 | 0 | 0 | 0 | 107.9 | D391 Q397 C400 Q405 C420 | D391-V393 PolarHBondContact O-N 3.21Å; V393-Q397 HydrophobicContact CG1-CB 3.6Å; V393-Q397 WeakPolarHBondContact CG1-O 3.13Å; V393-C400 HydrophobicContact CB-CB 4.18Å; V393-C400 HydrophobicContact CG1-CB 4.25Å; V393-C400 HydrophobicContact CG2-CB 4.23Å; V393-Q405 HydrophobicContact CG2-CB 4.48Å; V393-C420 VanDerWaalsContact CB-SG 3.55Å; V393-C420 HydrophobicContact CG1-CB 4.25Å; V393-C420 WeakPolarHBondContact CG1-SG 3.4Å; V393-C420 PolarHBondContact O-SG 2.89Å | ||
| 394 | Y | 87.9 | Confident | 63.6 | Low | 89 Ų | 89 | 94 Ų | 94 | 35% | 0.349 | 52% | 0.517 | S | S | . | . | trans | -72.1 | 153.2 | -178.1 | -71.3 | -91.5 | 0 | 0 | 0 | 111.7 | L392 G396 Q397 A409 Q431 | L392-Y394 HydrophobicContact CD2-CE1 4.37Å; L392-Y394 HydrophobicContact CD2-CE2 3.98Å; L392-Y394 HydrophobicContact CG-CE2 4.36Å; Y394-G396 PolarHBondContact O-N 3.31Å; Y394-Q397 WeakPolarHBondContact O-CB 3.11Å; Y394-Q397 PolarHBondContact O-N 3.16Å; Y394-A409 HydrophobicContact CD1-CB 4.05Å; Y394-A409 HydrophobicContact CG-CB 4.36Å; Y394-Q431 HydrophobicContact CD1-CB 3.94Å; Y394-Q431 WeakPolarHBondContact CD1-O 3.37Å; Y394-Q431 HydrophobicContact CG-CB 3.94Å; Y394-Q431 HydrophobicContact CG-CG 4.3Å | ||
| 395 | P | 83.8 | Confident | 65.8 | Low | 3 Ų | 3 | 88.7 Ų | 88.7 | 2% | 0.019 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | 124 | 169.9 | -29.8 | 34.9 | 0 | 0 | 0 | 112.8 | Y410 A413 C420 A428 | P395-Y410 HydrophobicContact CG-CG 4.49Å; P395-A413 HydrophobicContact CG-CB 4.22Å; P395-C420 WeakPolarHBondContact CA-O 3.43Å; P395-A428 HydrophobicContact CB-CB 3.98Å |
| 396 | G | 80.3 | Confident | 68.2 | Low | 51 Ų | 51 | 84.4 Ų | 84.4 | 53% | 0.526 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | -13.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y394 C420 | Y394-G396 PolarHBondContact O-N 3.31Å; G396-C420 PolarHBondContact N-O 3.04Å |
| 397 | Q | 83 | Confident | 70.5 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 35% | 0.35 | 44% | 0.439 | S | S | . | . | trans | -84.5 | 152.2 | 174.2 | -71.8 | -175.1 | -59.1 | 0 | 0 | 112.9 | V393 Y394 V419 C420 | V393-Q397 HydrophobicContact CG1-CB 3.6Å; V393-Q397 WeakPolarHBondContact CG1-O 3.13Å; Y394-Q397 WeakPolarHBondContact O-CB 3.11Å; Y394-Q397 PolarHBondContact O-N 3.16Å; Q397-V419 WeakPolarHBondContact O-CA 3.31Å; Q397-C420 PolarHBondContact O-N 2.98Å | ||
| 398 | Q | 80.1 | Confident | 72.6 | Confident | 164 Ų | 164 | 74.6 Ų | 74.6 | 77% | 0.766 | 42% | 0.422 | S | S | * | . | B | Isolated β-bridge | trans | -89.1 | 153.3 | 165.8 | -70.6 | 171.4 | 11.3 | 0 | 0 | 110.7 | S418 V419 | Q398-S418 CarbonylContact C-O 2.89Å; Q398-S418 VanDerWaalsContact CA-O 3.32Å; Q398-S418 WeakPolarHBondContact CA-O 3.43Å; Q398-V419 HydrophobicContact CG-CG2 3.66Å |
| 399 | G | 78.3 | Confident | 74.6 | Confident | 53 Ų | 53 | 70 Ų | 70 | 55% | 0.546 | 40% | 0.397 | S | S | . | . | trans | 124 | 1.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S418 | G399-S418 PolarHBondContact N-O 2.86Š| ||
| 400 | C | 82.9 | Confident | 76.8 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | trans | -80 | 147.8 | 177.3 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | V393 Q405 C406 C415 S418 V419 | V393-C400 HydrophobicContact CB-CB 4.18Å; V393-C400 HydrophobicContact CG1-CB 4.25Å; V393-C400 HydrophobicContact CG2-CB 4.23Å; C400-Q405 HydrophobicContact CB-CB 4.12Å; C400-C406 VanDerWaalsContact SG-SG 3.62Å; C400-C415 HydrophobicContact CB-CB 3.9Å; C400-C415 WeakPolarHBondContact CB-SG 3.45Å; C400-C415 PolarHBondContact O-SG 2.86Å; C400-C415 VanDerWaalsContact O-SG 3.39Å; C400-C415 WeakPolarHBondContact SG-CA 3.28Å; C400-C415 WeakPolarHBondContact SG-CB 3.32Å; C400-C415 CovalentContact SG-SG 2.04Å; C400-C415 PolarHBondContact SG-SG 3.38Å; C400-S418 PolarHBondContact N-O 2.84Å; C400-S418 VanDerWaalsContact O-CA 3.27Å; C400-S418 WeakPolarHBondContact O-CA 3.48Å; C400-S418 VanDerWaalsContact O-CB 3.24Å; C400-S418 WeakPolarHBondContact O-CB 3.46Å; C400-S418 PolarHBondContact O-OG 2.74Å; C400-S418 PolarHBondContact SG-O 3.43Å; C400-S418 VanDerWaalsContact SG-O 3.4Å; C400-V419 VanDerWaalsContact SG-C 3.57Å | ||
| 401 | S | 78.3 | Confident | 78.5 | Confident | 103 Ų | 103 | 70.1 Ų | 70.1 | 72% | 0.72 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -117.9 | -13.8 | 173.9 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | Q405 | S401-Q405 PolarHBondContact OG-OE1 3.07Š|
| 402 | N | 78.8 | Confident | 79.8 | Confident | 80 Ų | 80 | 66.1 Ų | 66.1 | 43% | 0.428 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -152.5 | 144.1 | -172.6 | -167.6 | -67.3 | 0 | 0 | 0 | 109.6 | K404 Q405 | N402-K404 PolarHBondContact O-N 3.26Å; N402-K404 WeakPolarHBondContact OD1-CB 3.39Å; N402-K404 WeakPolarHBondContact OD1-CG 3.4Å; N402-K404 PolarHBondContact OD1-N 3Å; N402-Q405 PolarHBondContact O-N 3.32Å |
| 403 | D | 85.7 | Confident | 81 | Confident | 81 Ų | 81 | 62.6 Ų | 62.6 | 43% | 0.433 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -49.4 | -33.6 | 173.8 | -71.3 | -37.2 | 0 | 0 | 0 | 113 | Q405 C406 A407 T414 C415 | D403-Q405 PolarHBondContact O-N 2.9Å; D403-C406 PolarHBondContact O-N 2.83Å; D403-A407 WeakPolarHBondContact O-CB 3.47Å; D403-A407 PolarHBondContact O-N 3.43Å; D403-T414 VanDerWaalsContact OD1-CA 3.31Å; D403-T414 WeakPolarHBondContact OD1-CA 3.34Å; D403-T414 VanDerWaalsContact OD1-CB 3.24Å; D403-T414 WeakPolarHBondContact OD1-CB 3.47Å; D403-C415 PolarHBondContact OD1-N 2.94Å |
| 404 | K | 79 | Confident | 81.5 | Confident | 149 Ų | 149 | 64.4 Ų | 64.4 | 65% | 0.648 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -56.6 | -30.4 | 177.9 | -71.9 | -179.1 | 177.3 | -175.1 | 0 | 114.3 | N402 A408 | N402-K404 PolarHBondContact O-N 3.26Å; N402-K404 WeakPolarHBondContact OD1-CB 3.39Å; N402-K404 WeakPolarHBondContact OD1-CG 3.4Å; N402-K404 PolarHBondContact OD1-N 3Å; K404-A408 VanDerWaalsContact O-CB 3.23Å; K404-A408 WeakPolarHBondContact O-CB 3.43Å; K404-A408 PolarHBondContact O-N 3.22Å |
| 405 | Q | 80.9 | Confident | 81.6 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.1 | -34 | 176.9 | -69.6 | 178.3 | -97.2 | 0 | 0 | 112 | I390 D391 V393 C400 S401 N402 D403 | I390-Q405 HydrophobicContact CG2-CB 4.25Å; I390-Q405 HydrophobicContact CG2-CG 3.65Å; D391-Q405 WeakPolarHBondContact O-CB 3.45Å; D391-Q405 WeakPolarHBondContact O-CG 3.38Å; D391-Q405 PolarHBondContact O-NE2 2.75Å; V393-Q405 HydrophobicContact CG2-CB 4.48Å; C400-Q405 HydrophobicContact CB-CB 4.12Å; S401-Q405 PolarHBondContact OG-OE1 3.07Å; N402-Q405 PolarHBondContact O-N 3.32Å; D403-Q405 PolarHBondContact O-N 2.9Å |
| 406 | C | 86 | Confident | 81.5 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -82.8 | -44.3 | 177.8 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | C400 D403 A408 A409 Y410 A413 C415 C420 | C400-C406 VanDerWaalsContact SG-SG 3.62Å; D403-C406 PolarHBondContact O-N 2.83Å; C406-A408 PolarHBondContact O-N 2.9Å; C406-A409 PolarHBondContact O-N 2.93Å; C406-Y410 PolarHBondContact O-N 3.08Å; C406-A413 HydrophobicContact CB-CB 4.05Å; C406-C415 VanDerWaalsContact SG-CA 3.54Å; C406-C415 VanDerWaalsContact SG-CB 3.6Å; C406-C420 WeakPolarHBondContact CA-SG 3.4Å; C406-C420 HydrophobicContact CB-CB 3.62Å; C406-C420 WeakPolarHBondContact CB-SG 3.2Å; C406-C420 WeakPolarHBondContact SG-CA 3.2Å; C406-C420 WeakPolarHBondContact SG-CB 3.05Å; C406-C420 CovalentContact SG-SG 2.03Å; C406-C420 PolarHBondContact SG-SG 3.12Å |
| 407 | A | 79.9 | Confident | 81.5 | Confident | 45 Ų | 45 | 75 Ų | 75 | 37% | 0.372 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.7 | -23.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D403 Y410 A413 | D403-A407 WeakPolarHBondContact O-CB 3.47Å; D403-A407 PolarHBondContact O-N 3.43Å; A407-Y410 WeakPolarHBondContact CA-O 3.44Å; A407-A413 PolarHBondContact N-O 3.32Å |
| 408 | A | 75.7 | Confident | 81.4 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -27.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L392 K404 C406 | L392-A408 HydrophobicContact CD1-CB 3.66Å; K404-A408 VanDerWaalsContact O-CB 3.23Å; K404-A408 WeakPolarHBondContact O-CB 3.43Å; K404-A408 PolarHBondContact O-N 3.22Å; C406-A408 PolarHBondContact O-N 2.9Å |
| 409 | A | 78.2 | Confident | 81.6 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -37.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L392 Y394 C406 | L392-A409 HydrophobicContact CD1-CB 3.82Å; L392-A409 HydrophobicContact CG-CB 4.1Å; Y394-A409 HydrophobicContact CD1-CB 4.05Å; Y394-A409 HydrophobicContact CG-CB 4.36Å; C406-A409 PolarHBondContact O-N 2.93Å |
| 410 | Y | 81.8 | Confident | 82.1 | Confident | 79 Ų | 79 | 66.1 Ų | 66.1 | 31% | 0.31 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -146.4 | 122.8 | 171.7 | -173 | -80.4 | 0 | 0 | 0 | 110.2 | P395 C406 A407 G412 A413 P423 C433 | P395-Y410 HydrophobicContact CG-CG 4.49Å; C406-Y410 PolarHBondContact O-N 3.08Å; A407-Y410 WeakPolarHBondContact CA-O 3.44Å; Y410-G412 PolarHBondContact O-N 3.28Å; Y410-A413 HydrophobicContact CD1-CB 4.42Å; Y410-A413 WeakPolarHBondContact O-CB 3.34Å; Y410-A413 PolarHBondContact O-N 3.09Å; Y410-P423 HydrophobicContact CE1-CG 4.22Å; Y410-C433 HydrophobicContact CD1-CB 3.97Å; Y410-C433 HydrophobicContact CD2-CB 3.97Å; Y410-C433 HydrophobicContact CE1-CB 3.76Å; Y410-C433 HydrophobicContact CE2-CB 3.72Å; Y410-C433 HydrophobicContact CG-CB 4.09Å |
| 411 | Q | 78.7 | Confident | 82.3 | Confident | 186 Ų | 186 | 68 Ų | 68 | 87% | 0.869 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 111.1 | -175.1 | -171.6 | 173.9 | 1.5 | 0 | 0 | 111.1 | ||
| 412 | G | 81.4 | Confident | 82.8 | Confident | 38 Ų | 38 | 64.2 Ų | 64.2 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | -4.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y410 | Y410-G412 PolarHBondContact O-N 3.28Š|
| 413 | A | 84.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | trans | -72.5 | 142.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P395 C406 A407 Y410 T421 | P395-A413 HydrophobicContact CG-CB 4.22Å; C406-A413 HydrophobicContact CB-CB 4.05Å; A407-A413 PolarHBondContact N-O 3.32Å; Y410-A413 HydrophobicContact CD1-CB 4.42Å; Y410-A413 WeakPolarHBondContact O-CB 3.34Å; Y410-A413 PolarHBondContact O-N 3.09Å; A413-T421 CarbonylContact C-O 3.55Å; A413-T421 WeakPolarHBondContact CA-O 3.29Å; A413-T421 WeakPolarHBondContact CB-O 3.32Å | ||
| 414 | T | 87.5 | Confident | 82.5 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 147.4 | -173.4 | 53 | 0 | 0 | 0 | 0 | 111.8 | D403 R416 T421 | D403-T414 VanDerWaalsContact OD1-CA 3.31Å; D403-T414 WeakPolarHBondContact OD1-CA 3.34Å; D403-T414 VanDerWaalsContact OD1-CB 3.24Å; D403-T414 WeakPolarHBondContact OD1-CB 3.47Å; T414-R416 PolarHBondContact O-N 3.32Å; T414-T421 PolarHBondContact N-O 2.89Å; T414-T421 PolarHBondContact O-N 2.88Å; T414-T421 PolarHBondContact O-OG1 3.03Å; T414-T421 PolarHBondContact OG1-OG1 3.46Å |
| 415 | C | 88.4 | Confident | 82.1 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 103.3 | -178.5 | -173.9 | 0 | 0 | 0 | 0 | 110 | C400 D403 C406 | C400-C415 HydrophobicContact CB-CB 3.9Å; C400-C415 WeakPolarHBondContact CB-SG 3.45Å; C400-C415 PolarHBondContact O-SG 2.86Å; C400-C415 VanDerWaalsContact O-SG 3.39Å; C400-C415 WeakPolarHBondContact SG-CA 3.28Å; C400-C415 WeakPolarHBondContact SG-CB 3.32Å; C400-C415 CovalentContact SG-SG 2.04Å; C400-C415 PolarHBondContact SG-SG 3.38Å; D403-C415 PolarHBondContact OD1-N 2.94Å; C406-C415 VanDerWaalsContact SG-CA 3.54Å; C406-C415 VanDerWaalsContact SG-CB 3.6Å |
| 416 | R | 82.3 | Confident | 81.9 | Confident | 175 Ų | 175 | 61.6 Ų | 61.6 | 66% | 0.66 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.1 | 176.4 | -73.4 | -177.2 | 164.9 | -168.5 | -5.4 | 109.4 | T414 S418 V419 T421 | T414-R416 PolarHBondContact O-N 3.32Å; R416-S418 PolarHBondContact O-N 2.7Å; R416-V419 PolarHBondContact N-O 2.88Å; R416-V419 PolarHBondContact O-N 3.06Å; R416-V419 VanDerWaalsContact O-O 3.09Å; R416-T421 HydrophobicContact CB-CG2 3.98Å |
| 417 | N | 80.7 | Confident | 81.1 | Confident | 165 Ų | 165 | 66 Ų | 66 | 88% | 0.882 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 46.5 | -178.4 | -57.5 | 1.8 | 0 | 0 | 0 | 112.2 | V419 | N417-V419 PolarHBondContact O-N 3.45Š|
| 418 | S | 79.9 | Confident | 80.8 | Confident | 64 Ų | 64 | 66 Ų | 66 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 11.4 | -175.2 | -66.4 | 0 | 0 | 0 | 0 | 116.9 | Q398 G399 C400 R416 | Q398-S418 CarbonylContact C-O 2.89Å; Q398-S418 VanDerWaalsContact CA-O 3.32Å; Q398-S418 WeakPolarHBondContact CA-O 3.43Å; G399-S418 PolarHBondContact N-O 2.86Å; C400-S418 PolarHBondContact N-O 2.84Å; C400-S418 VanDerWaalsContact O-CA 3.27Å; C400-S418 WeakPolarHBondContact O-CA 3.48Å; C400-S418 VanDerWaalsContact O-CB 3.24Å; C400-S418 WeakPolarHBondContact O-CB 3.46Å; C400-S418 PolarHBondContact O-OG 2.74Å; C400-S418 PolarHBondContact SG-O 3.43Å; C400-S418 VanDerWaalsContact SG-O 3.4Å; R416-S418 PolarHBondContact O-N 2.7Å |
| 419 | V | 84.7 | Confident | 80.9 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 24% | 0.242 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137.4 | 168.8 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | Q397 Q398 C400 R416 N417 T421 | Q397-V419 WeakPolarHBondContact O-CA 3.31Å; Q398-V419 HydrophobicContact CG-CG2 3.66Å; C400-V419 VanDerWaalsContact SG-C 3.57Å; R416-V419 PolarHBondContact N-O 2.88Å; R416-V419 PolarHBondContact O-N 3.06Å; R416-V419 VanDerWaalsContact O-O 3.09Å; N417-V419 PolarHBondContact O-N 3.45Å; V419-T421 HydrophobicContact CG1-CG2 4.25Å; V419-T421 PolarHBondContact O-N 3.1Å |
| 420 | C | 88.1 | Confident | 80.3 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.007 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 114 | 169.7 | -71.2 | 0 | 0 | 0 | 0 | 111.4 | V393 P395 G396 Q397 C406 | V393-C420 VanDerWaalsContact CB-SG 3.55Å; V393-C420 HydrophobicContact CG1-CB 4.25Å; V393-C420 WeakPolarHBondContact CG1-SG 3.4Å; V393-C420 PolarHBondContact O-SG 2.89Å; P395-C420 WeakPolarHBondContact CA-O 3.43Å; G396-C420 PolarHBondContact N-O 3.04Å; Q397-C420 PolarHBondContact O-N 2.98Å; C406-C420 WeakPolarHBondContact CA-SG 3.4Å; C406-C420 HydrophobicContact CB-CB 3.62Å; C406-C420 WeakPolarHBondContact CB-SG 3.2Å; C406-C420 WeakPolarHBondContact SG-CA 3.2Å; C406-C420 WeakPolarHBondContact SG-CB 3.05Å; C406-C420 CovalentContact SG-SG 2.03Å; C406-C420 PolarHBondContact SG-SG 3.12Å |
| 421 | T | 88.5 | Confident | 80.3 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 26% | 0.264 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.6 | -175.6 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | A413 T414 R416 V419 | A413-T421 CarbonylContact C-O 3.55Å; A413-T421 WeakPolarHBondContact CA-O 3.29Å; A413-T421 WeakPolarHBondContact CB-O 3.32Å; T414-T421 PolarHBondContact N-O 2.89Å; T414-T421 PolarHBondContact O-N 2.88Å; T414-T421 PolarHBondContact O-OG1 3.03Å; T414-T421 PolarHBondContact OG1-OG1 3.46Å; R416-T421 HydrophobicContact CB-CG2 3.98Å; V419-T421 HydrophobicContact CG1-CG2 4.25Å; V419-T421 PolarHBondContact O-N 3.1Å |
| 422 | C | 88.4 | Confident | 80.1 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 16% | 0.155 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 155 | -179.3 | -70.2 | 0 | 0 | 0 | 0 | 112.9 | S426 M427 A428 C433 | C422-S426 WeakPolarHBondContact CB-O 3.34Å; C422-S426 WeakPolarHBondContact CB-OG 3.49Å; C422-M427 VanDerWaalsContact SG-C 3.57Å; C422-A428 PolarHBondContact SG-N 3.09Å; C422-C433 WeakPolarHBondContact CA-SG 3.3Å; C422-C433 HydrophobicContact CB-CB 3.74Å; C422-C433 WeakPolarHBondContact CB-SG 3.5Å; C422-C433 VanDerWaalsContact SG-CA 3.5Å; C422-C433 WeakPolarHBondContact SG-CB 3.24Å; C422-C433 CovalentContact SG-SG 2.03Å; C422-C433 PolarHBondContact SG-SG 2.91Å |
| 423 | P | 84.9 | Confident | 80.2 | Confident | 36 Ų | 36 | 65 Ų | 65 | 23% | 0.234 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 152 | 175.9 | 25.6 | -32.6 | 0 | 0 | 0 | 112 | Y410 G425 S426 | Y410-P423 HydrophobicContact CE1-CG 4.22Å; P423-G425 PolarHBondContact O-N 2.04Å; P423-S426 WeakPolarHBondContact CD-OG 3.45Å; P423-S426 PolarHBondContact O-N 2.88Å; P423-S426 PolarHBondContact O-OG 3.28Å |
| 424 | P | 73.8 | Confident | 79.7 | Confident | 144 Ų | 144 | 67.7 Ų | 67.7 | 94% | 0.935 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 131.7 | -176.8 | -26.9 | 35 | 0 | 0 | 0 | 113.1 | ||
| 425 | G | 69.3 | Low | 77.9 | Confident | 66 Ų | 66 | 74 Ų | 74 | 68% | 0.68 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.8 | -12.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P423 | P423-G425 PolarHBondContact O-N 2.04Š|
| 426 | S | 76.6 | Confident | 75.7 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 20% | 0.196 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 153.1 | 179.4 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | C422 P423 S434 | C422-S426 WeakPolarHBondContact CB-O 3.34Å; C422-S426 WeakPolarHBondContact CB-OG 3.49Å; P423-S426 WeakPolarHBondContact CD-OG 3.45Å; P423-S426 PolarHBondContact O-N 2.88Å; P423-S426 PolarHBondContact O-OG 3.28Å; S426-S434 CarbonylContact C-O 3.59Å; S426-S434 WeakPolarHBondContact CA-O 3.45Å; S426-S434 WeakPolarHBondContact CB-O 3.19Å |
| 427 | M | 69.8 | Low | 73.3 | Confident | 92 Ų | 92 | 73.1 Ų | 73.1 | 45% | 0.453 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.7 | 179.9 | 60.5 | 179.7 | -75.7 | 0 | 0 | 111.3 | C422 I429 C433 S434 | C422-M427 VanDerWaalsContact SG-C 3.57Å; M427-I429 HydrophobicContact CE-CD1 4.11Å; M427-I429 HydrophobicContact CE-CG1 4Å; M427-I429 HydrophobicContact CG-CD1 4.13Å; M427-I429 HydrophobicContact CG-CG1 4.14Å; M427-I429 PolarHBondContact O-N 3.44Å; M427-I429 HydrophobicContact SD-CD1 4.29Å; M427-C433 WeakPolarHBondContact O-CA 3.42Å; M427-S434 PolarHBondContact N-O 3.39Å; M427-S434 PolarHBondContact O-N 2.84Å |
| 428 | A | 74.7 | Confident | 70.7 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 38% | 0.38 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 114.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P395 C422 T432 | P395-A428 HydrophobicContact CB-CB 3.98Å; C422-A428 PolarHBondContact SG-N 3.09Å; A428-T432 CarbonylContact C-O 3.49Å; A428-T432 WeakPolarHBondContact CA-O 3.49Å |
| 429 | I | 77.1 | Confident | 68.1 | Low | 83 Ų | 83 | 74.3 Ų | 74.3 | 43% | 0.426 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126.5 | 175.5 | -59.6 | -179.5 | 0 | 0 | 0 | 107.3 | M427 Q431 T432 | M427-I429 HydrophobicContact CE-CD1 4.11Å; M427-I429 HydrophobicContact CE-CG1 4Å; M427-I429 HydrophobicContact CG-CD1 4.13Å; M427-I429 HydrophobicContact CG-CG1 4.14Å; M427-I429 PolarHBondContact O-N 3.44Å; M427-I429 HydrophobicContact SD-CD1 4.29Å; I429-Q431 VanDerWaalsContact C-N 3.31Å; I429-Q431 PolarHBondContact O-N 3.2Å; I429-T432 PolarHBondContact N-O 3.21Å; I429-T432 WeakPolarHBondContact O-CG2 3.36Å; I429-T432 PolarHBondContact O-N 2.99Å |
| 430 | A | 66.2 | Low | 65.1 | Low | 96 Ų | 96 | 80.2 Ų | 80.2 | 79% | 0.793 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 50 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T432 | A430-T432 PolarHBondContact O-N 2.81Š|
| 431 | Q | 80.1 | Confident | 62.1 | Low | 106 Ų | 106 | 83.7 Ų | 83.7 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 15.5 | 178.9 | -64.7 | 175 | -11.9 | 0 | 0 | 115.7 | Y394 I429 | Y394-Q431 HydrophobicContact CD1-CB 3.94Å; Y394-Q431 WeakPolarHBondContact CD1-O 3.37Å; Y394-Q431 HydrophobicContact CG-CB 3.94Å; Y394-Q431 HydrophobicContact CG-CG 4.3Å; I429-Q431 VanDerWaalsContact C-N 3.31Å; I429-Q431 PolarHBondContact O-N 3.2Å |
| 432 | T | 76.4 | Confident | 58.9 | Low | 71 Ų | 71 | 89.2 Ų | 89.2 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.9 | 167.5 | 171.5 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | A428 I429 A430 | A428-T432 CarbonylContact C-O 3.49Å; A428-T432 WeakPolarHBondContact CA-O 3.49Å; I429-T432 PolarHBondContact N-O 3.21Å; I429-T432 WeakPolarHBondContact O-CG2 3.36Å; I429-T432 PolarHBondContact O-N 2.99Å; A430-T432 PolarHBondContact O-N 2.81Å |
| 433 | C | 82.3 | Confident | 55.9 | Low | 10 Ų | 10 | 93.8 Ų | 93.8 | 7% | 0.068 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.6 | 176.5 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | Y410 C422 M427 | Y410-C433 HydrophobicContact CD1-CB 3.97Å; Y410-C433 HydrophobicContact CD2-CB 3.97Å; Y410-C433 HydrophobicContact CE1-CB 3.76Å; Y410-C433 HydrophobicContact CE2-CB 3.72Å; Y410-C433 HydrophobicContact CG-CB 4.09Å; C422-C433 WeakPolarHBondContact CA-SG 3.3Å; C422-C433 HydrophobicContact CB-CB 3.74Å; C422-C433 WeakPolarHBondContact CB-SG 3.5Å; C422-C433 VanDerWaalsContact SG-CA 3.5Å; C422-C433 WeakPolarHBondContact SG-CB 3.24Å; C422-C433 CovalentContact SG-SG 2.03Å; C422-C433 PolarHBondContact SG-SG 2.91Å; M427-C433 WeakPolarHBondContact O-CA 3.42Å |
| 434 | S | 73.7 | Confident | 52.9 | Low | 58 Ų | 58 | 97.3 Ų | 97.3 | 41% | 0.406 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -136 | 150 | -179.9 | -163.5 | 0 | 0 | 0 | 0 | 110.7 | S426 M427 G436 | S426-S434 CarbonylContact C-O 3.59Å; S426-S434 WeakPolarHBondContact CA-O 3.45Å; S426-S434 WeakPolarHBondContact CB-O 3.19Å; M427-S434 PolarHBondContact N-O 3.39Å; M427-S434 PolarHBondContact O-N 2.84Å; S434-G436 PolarHBondContact O-N 3.26Å |
| 435 | E | 49.9 | Very low | 50.5 | Low | 180 Ų | 180 | 100.5 Ų | 100.5 | 84% | 0.841 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.1 | -179.8 | -66.2 | -171.6 | 148.6 | 0 | 0 | 110.7 | ||
| 436 | G | 41.5 | Very low | 48.3 | Very low | 32 Ų | 32 | 103.8 Ų | 103.8 | 33% | 0.33 | 62% | 0.616 | S | S | . | * | trans | -118.7 | 105.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S434 G438 | S434-G436 PolarHBondContact O-N 3.26Å; G436-G438 PolarHBondContact O-N 3.35Å; G436-G438 VanDerWaalsContact O-N 3.15Å | ||
| 437 | T | 33.2 | Very low | 45.6 | Very low | 152 Ų | 152 | 110.9 Ų | 110.9 | 93% | 0.933 | 65% | 0.646 | S | S | * | * | trans | -66.3 | 104.9 | 161.3 | 51.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 438 | G | 25.9 | Very low | 43.4 | Very low | 69 Ų | 69 | 113.2 Ų | 113.2 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | trans | -98 | 169.7 | -167 | 0 | 0 | 0 | 0 | 0 | 115.6 | G436 | G436-G438 PolarHBondContact O-N 3.35Å; G436-G438 VanDerWaalsContact O-N 3.15Å | ||
| 439 | E | 25.6 | Very low | 41 | Very low | 184 Ų | 184 | 118.4 Ų | 118.4 | 86% | 0.86 | 69% | 0.685 | S | S | * | * | trans | -151.4 | 118.7 | 156.8 | -121.5 | 173.7 | -164.2 | 0 | 0 | 111.6 | ||||
| 440 | I | 21.8 | Very low | 38.5 | Very low | 164 Ų | 164 | 119.7 Ų | 119.7 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | 31.3 | 121 | 143.7 | -49.6 | 171.9 | 0 | 0 | 0 | 119.6 | ||||
| 441 | G | 25.2 | Very low | 36.2 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | trans | -179.9 | 97.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 442 | I | 21.6 | Very low | 33.5 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 82% | 0.815 | 72% | 0.716 | S | S | * | * | trans | -52 | 154.5 | 166.7 | -7.4 | 177.5 | 0 | 0 | 0 | 112.2 | ||||
| 443 | V | 24.9 | Very low | 31.3 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | -164.2 | 150.3 | 51.3 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 444 | P | 21.7 | Very low | 28.8 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | trans | -88.3 | 164.1 | 178.2 | 36 | -38 | 0 | 0 | 0 | 115.9 | ||||
| 445 | F | 22.4 | Very low | 26.4 | Very low | 210 Ų | 210 | 139.8 Ų | 139.8 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -141.1 | 168.3 | 165.7 | -105.5 | -85.1 | 0 | 0 | 0 | 112.7 | ||||
| 446 | V | 23 | Very low | 25.4 | Very low | 136 Ų | 136 | 139 Ų | 139 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -117.6 | 155.6 | -156.3 | 176.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 447 | E | 20.3 | Very low | 25.3 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -74 | 139.9 | -179.7 | -53.2 | 172.3 | 118.5 | 0 | 0 | 114.7 | ||||
| 448 | V | 24.6 | Very low | 26.7 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -150.1 | 148 | 159.5 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 449 | I | 24 | Very low | 28.7 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | trans | -136.6 | 124.3 | -172 | -65.4 | 163.1 | 0 | 0 | 0 | 111.1 | ||||
| 450 | P | 23.9 | Very low | 31.2 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | -153.6 | 145 | 123.2 | 36.9 | -18.7 | 0 | 0 | 0 | 118.5 | |||||
| 451 | K | 19.2 | Very low | 33.8 | Very low | 182 Ų | 182 | 122.2 Ų | 122.2 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | trans | 33.2 | 116.5 | 136.3 | -64.9 | -178.5 | 177.8 | 178.7 | 0 | 122.1 | ||||
| 452 | Y | 22.4 | Very low | 35.9 | Very low | 217 Ų | 217 | 121.6 Ų | 121.6 | 85% | 0.851 | 68% | 0.684 | S | S | * | * | trans | 49.1 | 165.4 | 134.3 | -62.8 | -79.2 | 0 | 0 | 0 | 122.2 | ||||
| 453 | P | 31 | Very low | 38.5 | Very low | 114 Ų | 114 | 114.9 Ų | 114.9 | 74% | 0.74 | 65% | 0.654 | S | S | * | * | -100.3 | -156.7 | -73.5 | 40.8 | -24.5 | 0 | 0 | 0 | 109.3 | |||||
| 454 | P | 28.6 | Very low | 40.9 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | cis | -138.4 | -164 | 4 | 45.3 | -24.7 | 0 | 0 | 0 | 116.9 | ||||
| 455 | V | 24.7 | Very low | 43.6 | Very low | 128 Ų | 128 | 111 Ų | 111 | 78% | 0.776 | 62% | 0.623 | S | S | * | * | trans | -44.2 | 140.7 | -179 | -177.1 | 0 | 0 | 0 | 0 | 116.1 | T457 | V455-T457 PolarHBondContact O-N 3.45Š| ||
| 456 | L | 27.6 | Very low | 45.9 | Very low | 164 Ų | 164 | 104 Ų | 104 | 86% | 0.859 | 60% | 0.601 | S | S | * | * | trans | -58.2 | 127.1 | 169.8 | -100.4 | 70 | 0 | 0 | 0 | 112.7 | ||||
| 457 | T | 39.7 | Very low | 47.5 | Very low | 99 Ų | 99 | 107.2 Ų | 107.2 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | trans | -109.3 | 130.3 | 169 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | V455 | V455-T457 PolarHBondContact O-N 3.45Š| ||
| 458 | G | 61.8 | Low | 49.3 | Very low | 36 Ų | 36 | 106.2 Ų | 106.2 | 37% | 0.371 | 61% | 0.606 | S | S | . | * | trans | -106.2 | 137.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N470 L472 | G458-N470 CarbonylContact C-O 3.59Å; G458-N470 VanDerWaalsContact CA-O 3.3Å; G458-N470 WeakPolarHBondContact CA-O 3.22Å; G458-L472 WeakPolarHBondContact O-CD1 3.36Å | ||
| 459 | S | 68.5 | Low | 51.5 | Low | 21 Ų | 21 | 100.9 Ų | 100.9 | 15% | 0.147 | 57% | 0.573 | C | S | . | * | B | Isolated β-bridge | trans | -89.1 | 129.2 | -176.2 | -83.3 | 0 | 0 | 0 | 0 | 112.2 | L464 V469 N470 C471 L472 | S459-L464 VanDerWaalsContact CB-O 3.25Å; S459-L464 WeakPolarHBondContact CB-O 3.36Å; S459-L464 PolarHBondContact OG-O 2.72Å; S459-V469 VanDerWaalsContact OG-CG1 3.29Å; S459-V469 WeakPolarHBondContact OG-CG1 3.1Å; S459-N470 PolarHBondContact N-O 2.81Å; S459-C471 CarbonylContact O-C 3.58Å; S459-C471 WeakPolarHBondContact O-CA 3.42Å; S459-L472 PolarHBondContact O-N 3.06Å |
| 460 | P | 78.9 | Confident | 53.8 | Low | 71 Ų | 71 | 99.4 Ų | 99.4 | 46% | 0.461 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 169.5 | 170.2 | 31.3 | -35.3 | 0 | 0 | 0 | 111.4 | G462 G463 | P460-G462 PolarHBondContact O-N 2.88Å; P460-G463 PolarHBondContact O-N 3.11Å |
| 461 | P | 75.1 | Confident | 56.4 | Low | 21 Ų | 21 | 95.5 Ų | 95.5 | 14% | 0.136 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 127.9 | 172.4 | -23.9 | 33 | 0 | 0 | 0 | 111.6 | A475 V491 G494 | P461-A475 HydrophobicContact CB-CB 4.01Å; P461-A475 HydrophobicContact CG-CB 3.85Å; P461-V491 HydrophobicContact CB-CG1 4.11Å; P461-V491 HydrophobicContact CB-CG2 3.61Å; P461-V491 HydrophobicContact CG-CG1 4.2Å; P461-V491 HydrophobicContact CG-CG2 4.32Å; P461-G494 WeakPolarHBondContact CD-O 3.28Å |
| 462 | G | 70.4 | Confident | 59.2 | Low | 62 Ų | 62 | 91.2 Ų | 91.2 | 64% | 0.639 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | -14.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P460 C482 | P460-G462 PolarHBondContact O-N 2.88Å; G462-C482 PolarHBondContact N-O 3.18Å |
| 463 | G | 76.2 | Confident | 61.5 | Low | 19 Ų | 19 | 82.3 Ų | 82.3 | 20% | 0.196 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -77.4 | 160.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P460 V481 C482 | P460-G463 PolarHBondContact O-N 3.11Å; G463-V481 WeakPolarHBondContact O-CA 3.43Å; G463-C482 PolarHBondContact O-N 3.26Å |
| 464 | L | 75.6 | Confident | 63.5 | Low | 134 Ų | 134 | 79.5 Ų | 79.5 | 70% | 0.702 | 49% | 0.493 | S | S | * | . | B | Isolated β-bridge | trans | -70.8 | 147.2 | 172.5 | -69.7 | 168.8 | 0 | 0 | 0 | 111.2 | S459 G480 V481 | S459-L464 VanDerWaalsContact CB-O 3.25Å; S459-L464 WeakPolarHBondContact CB-O 3.36Å; S459-L464 PolarHBondContact OG-O 2.72Å; L464-G480 CarbonylContact C-O 3.57Å; L464-G480 VanDerWaalsContact CA-O 3.26Å; L464-G480 WeakPolarHBondContact CA-O 3.37Å; L464-G480 WeakPolarHBondContact CD2-O 3.12Å; L464-V481 HydrophobicContact CD2-CG2 4.23Å |
| 465 | C | 78.1 | Confident | 65.9 | Low | 12 Ų | 12 | 74.2 Ų | 74.2 | 8% | 0.081 | 46% | 0.46 | C | S | . | . | trans | -133.3 | 153.1 | 177 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | V469 C477 G480 V481 | C465-V469 WeakPolarHBondContact CB-O 2.99Å; C465-C477 HydrophobicContact CB-CB 3.8Å; C465-C477 WeakPolarHBondContact CB-SG 3.41Å; C465-C477 WeakPolarHBondContact SG-CA 3.08Å; C465-C477 WeakPolarHBondContact SG-CB 3.46Å; C465-C477 CovalentContact SG-SG 2.03Å; C465-C477 PolarHBondContact SG-SG 3.44Å; C465-G480 PolarHBondContact N-O 3.16Å; C465-V481 VanDerWaalsContact SG-C 3.51Å; C465-V481 PolarHBondContact SG-N 3.11Å; C465-V481 VanDerWaalsContact SG-N 3.37Å | ||
| 466 | S | 69.7 | Low | 68.3 | Low | 65 Ų | 65 | 73.3 Ų | 73.3 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | B | Isolated β-bridge | trans | -157.4 | 178.7 | -179.5 | 68.3 | 0 | 0 | 0 | 0 | 109.2 | L468 V469 | S466-L468 PolarHBondContact O-N 2.87Å; S466-L468 PolarHBondContact OG-N 2.81Å; S466-V469 PolarHBondContact N-O 3.43Å; S466-V469 CarbonylContact O-C 3.54Å; S466-V469 PolarHBondContact O-N 2.93Å |
| 467 | E | 58 | Low | 70.7 | Confident | 203 Ų | 203 | 68.9 Ų | 68.9 | 95% | 0.949 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -11.4 | 176 | -59 | -169.9 | 157.5 | 0 | 0 | 114 | ||
| 468 | L | 58.1 | Low | 72.2 | Confident | 155 Ų | 155 | 68.3 Ų | 68.3 | 81% | 0.812 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -7.7 | 174.7 | -69.4 | 166.8 | 0 | 0 | 0 | 113.8 | S466 | S466-L468 PolarHBondContact O-N 2.87Å; S466-L468 PolarHBondContact OG-N 2.81Å |
| 469 | V | 69.8 | Low | 73 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 17% | 0.17 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -134.5 | 97.9 | -170.7 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | S459 C465 S466 | S459-V469 VanDerWaalsContact OG-CG1 3.29Å; S459-V469 WeakPolarHBondContact OG-CG1 3.1Å; C465-V469 WeakPolarHBondContact CB-O 2.99Å; S466-V469 PolarHBondContact N-O 3.43Å; S466-V469 CarbonylContact O-C 3.54Å; S466-V469 PolarHBondContact O-N 2.93Å |
| 470 | N | 72.5 | Confident | 73.1 | Confident | 124 Ų | 124 | 72.5 Ų | 72.5 | 66% | 0.663 | 45% | 0.454 | S | S | * | . | trans | -77.9 | 146 | 179.4 | -74.9 | -42.4 | 0 | 0 | 0 | 112.6 | G458 S459 | G458-N470 CarbonylContact C-O 3.59Å; G458-N470 VanDerWaalsContact CA-O 3.3Å; G458-N470 WeakPolarHBondContact CA-O 3.22Å; S459-N470 PolarHBondContact N-O 2.81Å | ||
| 471 | C | 78.5 | Confident | 73 | Confident | 29 Ų | 29 | 71.7 Ų | 71.7 | 20% | 0.196 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -77.8 | 143 | 175 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | S459 A475 C482 | S459-C471 CarbonylContact O-C 3.58Å; S459-C471 WeakPolarHBondContact O-CA 3.42Å; C471-A475 HydrophobicContact CB-CB 4.33Å; C471-A475 WeakPolarHBondContact CB-O 3.23Å; C471-C482 WeakPolarHBondContact CA-SG 3.01Å; C471-C482 HydrophobicContact CB-CB 3.82Å; C471-C482 WeakPolarHBondContact CB-SG 3.46Å; C471-C482 WeakPolarHBondContact SG-CA 3.2Å; C471-C482 WeakPolarHBondContact SG-CB 3.14Å; C471-C482 CovalentContact SG-SG 2.04Å; C471-C482 PolarHBondContact SG-SG 3.1Å |
| 472 | L | 77.5 | Confident | 73.4 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 48% | 0.482 | 44% | 0.44 | S | S | . | . | trans | -108.3 | 167.6 | 178.3 | -60.7 | 179 | 0 | 0 | 0 | 111.6 | G458 S459 G474 A475 | G458-L472 WeakPolarHBondContact O-CD1 3.36Å; S459-L472 PolarHBondContact O-N 3.06Å; L472-G474 VanDerWaalsContact C-N 3.28Å; L472-G474 PolarHBondContact O-N 3.05Å; L472-A475 PolarHBondContact O-N 3.03Å | ||
| 473 | G | 70.4 | Confident | 73.9 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 32% | 0.32 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 12.9 | 168 | 0 | 0 | 0 | 0 | 0 | 116.5 | G494 R495 C496 | G473-G494 WeakPolarHBondContact CA-O 3.21Å; G473-R495 WeakPolarHBondContact O-CA 3.18Å; G473-C496 PolarHBondContact O-N 3.21Å |
| 474 | G | 73 | Confident | 74.1 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 8.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L472 | L472-G474 VanDerWaalsContact C-N 3.28Å; L472-G474 PolarHBondContact O-N 3.05Å |
| 475 | A | 79.4 | Confident | 74 | Confident | 10 Ų | 10 | 69 Ų | 69 | 8% | 0.083 | 42% | 0.418 | C | S | . | . | trans | -76.5 | 148.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P461 C471 L472 C482 I483 | P461-A475 HydrophobicContact CB-CB 4.01Å; P461-A475 HydrophobicContact CG-CB 3.85Å; C471-A475 HydrophobicContact CB-CB 4.33Å; C471-A475 WeakPolarHBondContact CB-O 3.23Å; L472-A475 PolarHBondContact O-N 3.03Å; A475-C482 HydrophobicContact CB-CB 3.96Å; A475-I483 CarbonylContact C-O 3.54Å; A475-I483 VanDerWaalsContact CA-O 3.28Å; A475-I483 WeakPolarHBondContact CA-O 3.49Å | ||
| 476 | L | 75.2 | Confident | 73.4 | Confident | 110 Ų | 110 | 72.6 Ų | 72.6 | 58% | 0.576 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 142.8 | 175.1 | -86.4 | 153.4 | 0 | 0 | 0 | 110.2 | N478 C482 I483 P485 | L476-N478 PolarHBondContact O-N 3.38Å; L476-C482 WeakPolarHBondContact O-CA 3.47Å; L476-I483 PolarHBondContact N-O 3.3Å; L476-I483 PolarHBondContact O-N 2.96Å; L476-P485 HydrophobicContact CD1-CB 4.03Å; L476-P485 HydrophobicContact CD1-CG 4.36Å |
| 477 | C | 78.3 | Confident | 72.9 | Confident | 71 Ų | 71 | 82.2 Ų | 82.2 | 48% | 0.48 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 117.2 | 174.8 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | C465 | C465-C477 HydrophobicContact CB-CB 3.8Å; C465-C477 WeakPolarHBondContact CB-SG 3.41Å; C465-C477 WeakPolarHBondContact SG-CA 3.08Å; C465-C477 WeakPolarHBondContact SG-CB 3.46Å; C465-C477 CovalentContact SG-SG 2.03Å; C465-C477 PolarHBondContact SG-SG 3.44Å |
| 478 | N | 70.5 | Confident | 72.9 | Confident | 87 Ų | 87 | 78.3 Ų | 78.3 | 47% | 0.465 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.2 | 173.7 | -177.9 | 7.6 | 0 | 0 | 0 | 109.5 | L476 G480 V481 I483 | L476-N478 PolarHBondContact O-N 3.38Å; N478-G480 PolarHBondContact O-N 3.38Å; N478-G480 VanDerWaalsContact O-N 3.08Å; N478-V481 PolarHBondContact N-O 3.09Å; N478-V481 PolarHBondContact O-N 3.46Å; N478-V481 VanDerWaalsContact O-O 3.08Å; N478-I483 HydrophobicContact CB-CD1 3.67Å; N478-I483 HydrophobicContact CB-CG1 3.96Å |
| 479 | S | 79.4 | Confident | 72.9 | Confident | 118 Ų | 118 | 73.6 Ų | 73.6 | 83% | 0.825 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 33.6 | 176.8 | -53.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 480 | G | 71.3 | Confident | 72.3 | Confident | 27 Ų | 27 | 78.2 Ų | 78.2 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L464 C465 N478 | L464-G480 CarbonylContact C-O 3.57Å; L464-G480 VanDerWaalsContact CA-O 3.26Å; L464-G480 WeakPolarHBondContact CA-O 3.37Å; L464-G480 WeakPolarHBondContact CD2-O 3.12Å; C465-G480 PolarHBondContact N-O 3.16Å; N478-G480 PolarHBondContact O-N 3.38Å; N478-G480 VanDerWaalsContact O-N 3.08Å |
| 481 | V | 76.5 | Confident | 71.9 | Confident | 53 Ų | 53 | 76.2 Ų | 76.2 | 32% | 0.321 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.2 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | G463 L464 C465 N478 I483 | G463-V481 WeakPolarHBondContact O-CA 3.43Å; L464-V481 HydrophobicContact CD2-CG2 4.23Å; C465-V481 VanDerWaalsContact SG-C 3.51Å; C465-V481 PolarHBondContact SG-N 3.11Å; C465-V481 VanDerWaalsContact SG-N 3.37Å; N478-V481 PolarHBondContact N-O 3.09Å; N478-V481 PolarHBondContact O-N 3.46Å; N478-V481 VanDerWaalsContact O-O 3.08Å; V481-I483 HydrophobicContact CG1-CG2 4.19Å; V481-I483 PolarHBondContact O-N 3.46Å |
| 482 | C | 82.7 | Confident | 71 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 116.8 | 172.8 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | G462 G463 C471 A475 L476 | G462-C482 PolarHBondContact N-O 3.18Å; G463-C482 PolarHBondContact O-N 3.26Å; C471-C482 WeakPolarHBondContact CA-SG 3.01Å; C471-C482 HydrophobicContact CB-CB 3.82Å; C471-C482 WeakPolarHBondContact CB-SG 3.46Å; C471-C482 WeakPolarHBondContact SG-CA 3.2Å; C471-C482 WeakPolarHBondContact SG-CB 3.14Å; C471-C482 CovalentContact SG-SG 2.04Å; C471-C482 PolarHBondContact SG-SG 3.1Å; A475-C482 HydrophobicContact CB-CB 3.96Å; L476-C482 WeakPolarHBondContact O-CA 3.47Å |
| 483 | I | 80.6 | Confident | 69.9 | Low | 73 Ų | 73 | 81 Ų | 81 | 37% | 0.374 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 150 | -179.5 | 59.2 | 170.2 | 0 | 0 | 0 | 112.7 | A475 L476 N478 V481 | A475-I483 CarbonylContact C-O 3.54Å; A475-I483 VanDerWaalsContact CA-O 3.28Å; A475-I483 WeakPolarHBondContact CA-O 3.49Å; L476-I483 PolarHBondContact N-O 3.3Å; L476-I483 PolarHBondContact O-N 2.96Å; N478-I483 HydrophobicContact CB-CD1 3.67Å; N478-I483 HydrophobicContact CB-CG1 3.96Å; V481-I483 HydrophobicContact CG1-CG2 4.19Å; V481-I483 PolarHBondContact O-N 3.46Å |
| 484 | C | 80.6 | Confident | 69.3 | Low | 29 Ų | 29 | 81.1 Ų | 81.1 | 20% | 0.196 | 46% | 0.456 | C | S | . | . | trans | -70.7 | 135.9 | 171.5 | -61.2 | 0 | 0 | 0 | 0 | 110.4 | E486 M489 C496 | C484-E486 PolarHBondContact O-N 2.91Å; C484-M489 HydrophobicContact CB-CB 4.14Å; C484-C496 WeakPolarHBondContact CA-SG 2.86Å; C484-C496 HydrophobicContact CB-CB 3.79Å; C484-C496 WeakPolarHBondContact CB-SG 3.42Å; C484-C496 WeakPolarHBondContact SG-CB 3.04Å; C484-C496 CovalentContact SG-SG 2.04Å; C484-C496 PolarHBondContact SG-SG 3.26Å | ||
| 485 | P | 74 | Confident | 68.8 | Low | 77 Ų | 77 | 86.5 Ų | 86.5 | 50% | 0.5 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -69.3 | -29.3 | -171.9 | 22.2 | -31.5 | 0 | 0 | 0 | 114.8 | L476 M489 | L476-P485 HydrophobicContact CD1-CB 4.03Å; L476-P485 HydrophobicContact CD1-CG 4.36Å; P485-M489 HydrophobicContact CG-SD 4.4Å |
| 486 | E | 66.1 | Low | 68.4 | Low | 88 Ų | 88 | 86.8 Ų | 86.8 | 41% | 0.411 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -115.9 | 137.3 | -175.5 | -65.4 | -176.5 | -166.4 | 0 | 0 | 112.1 | C484 Q488 M489 | C484-E486 PolarHBondContact O-N 2.91Å; E486-Q488 HydrophobicContact CB-CG 4.12Å; E486-Q488 PolarHBondContact O-N 3.02Å; E486-Q488 PolarHBondContact OE2-NE2 2.79Å; E486-M489 HydrophobicContact CB-CG 4.32Å; E486-M489 HydrophobicContact CB-SD 4.48Å; E486-M489 PolarHBondContact O-N 3.19Å |
| 487 | R | 57.6 | Low | 67.9 | Low | 267 Ų | 267 | 85.7 Ų | 85.7 | 100% | 1.008 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -12 | 178.3 | -73.2 | -174.6 | 173 | -172.1 | -2.1 | 115.1 | ||
| 488 | Q | 58.8 | Low | 66.9 | Low | 122 Ų | 122 | 85.7 Ų | 85.7 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -6.8 | 176.5 | 61.5 | -175.5 | -7.7 | 0 | 0 | 113.8 | E486 V498 | E486-Q488 HydrophobicContact CB-CG 4.12Å; E486-Q488 PolarHBondContact O-N 3.02Å; E486-Q488 PolarHBondContact OE2-NE2 2.79Å; Q488-V498 HydrophobicContact CG-CG2 4.24Å |
| 489 | M | 57.5 | Low | 65.4 | Low | 55 Ų | 55 | 85.3 Ų | 85.3 | 27% | 0.271 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.1 | 172.6 | -67.1 | 180 | -177 | 0 | 0 | 110.2 | C484 P485 E486 C496 L497 V498 | C484-M489 HydrophobicContact CB-CB 4.14Å; P485-M489 HydrophobicContact CG-SD 4.4Å; E486-M489 HydrophobicContact CB-CG 4.32Å; E486-M489 HydrophobicContact CB-SD 4.48Å; E486-M489 PolarHBondContact O-N 3.19Å; M489-C496 HydrophobicContact CB-CB 4.12Å; M489-C496 HydrophobicContact SD-CB 4Å; M489-L497 CarbonylContact C-O 3.38Å; M489-L497 WeakPolarHBondContact CA-O 3Å; M489-V498 HydrophobicContact CE-CG2 4.41Å; M489-V498 HydrophobicContact CG-CG2 3.74Å |
| 490 | Q | 58.6 | Low | 63.6 | Low | 126 Ų | 126 | 87.7 Ų | 87.7 | 59% | 0.589 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 158.6 | 168.9 | -67 | -173.5 | -18.6 | 0 | 0 | 110 | V492 L497 V499 | Q490-V492 PolarHBondContact O-N 3.29Å; Q490-L497 PolarHBondContact N-O 3Å; Q490-L497 PolarHBondContact O-N 3.38Å; Q490-V499 HydrophobicContact CB-CG2 4.13Å |
| 491 | V | 62.6 | Low | 61.5 | Low | 82 Ų | 82 | 92 Ų | 92 | 50% | 0.497 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 113.6 | 176 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | P461 R495 | P461-V491 HydrophobicContact CB-CG1 4.11Å; P461-V491 HydrophobicContact CB-CG2 3.61Å; P461-V491 HydrophobicContact CG-CG1 4.2Å; P461-V491 HydrophobicContact CG-CG2 4.32Å; V491-R495 WeakPolarHBondContact CA-O 3.39Å |
| 492 | V | 59.6 | Low | 59 | Low | 59 Ų | 59 | 95.6 Ų | 95.6 | 36% | 0.358 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.6 | 174.5 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | Q490 G494 R495 L497 V499 | Q490-V492 PolarHBondContact O-N 3.29Å; V492-G494 VanDerWaalsContact C-N 3.26Å; V492-G494 PolarHBondContact O-N 2.93Å; V492-R495 PolarHBondContact N-O 3.27Å; V492-R495 PolarHBondContact O-N 2.71Å; V492-L497 HydrophobicContact CB-CD1 4.24Å; V492-V499 HydrophobicContact CG2-CG2 3.65Å |
| 493 | D | 54.4 | Low | 56.2 | Low | 161 Ų | 161 | 101.1 Ų | 101.1 | 86% | 0.861 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.1 | 51.1 | -173.5 | -64.8 | -28.7 | 0 | 0 | 0 | 114.1 | R495 | D493-R495 PolarHBondContact O-N 2.04Š|
| 494 | G | 57.9 | Low | 53.3 | Low | 34 Ų | 34 | 102 Ų | 102 | 35% | 0.351 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 9.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P461 G473 V492 | P461-G494 WeakPolarHBondContact CD-O 3.28Å; G473-G494 WeakPolarHBondContact CA-O 3.21Å; V492-G494 VanDerWaalsContact C-N 3.26Å; V492-G494 PolarHBondContact O-N 2.93Å |
| 495 | R | 63.7 | Low | 50.5 | Low | 168 Ų | 168 | 107.8 Ų | 107.8 | 63% | 0.634 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 145.8 | 179.5 | -57.7 | -176.7 | -173.4 | 179.1 | 4.2 | 111.8 | G473 V491 V492 D493 L497 | G473-R495 WeakPolarHBondContact O-CA 3.18Å; V491-R495 WeakPolarHBondContact CA-O 3.39Å; V492-R495 PolarHBondContact N-O 3.27Å; V492-R495 PolarHBondContact O-N 2.71Å; D493-R495 PolarHBondContact O-N 2.04Å; R495-L497 HydrophobicContact CB-CD1 4.34Å; R495-L497 HydrophobicContact CB-CG 4.2Å; R495-L497 PolarHBondContact O-N 2.92Å |
| 496 | C | 69.8 | Low | 48 | Very low | 16 Ų | 16 | 108.3 Ų | 108.3 | 11% | 0.108 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.7 | 108.5 | 172.2 | -63.1 | 0 | 0 | 0 | 0 | 109.5 | G473 C484 M489 | G473-C496 PolarHBondContact O-N 3.21Å; C484-C496 WeakPolarHBondContact CA-SG 2.86Å; C484-C496 HydrophobicContact CB-CB 3.79Å; C484-C496 WeakPolarHBondContact CB-SG 3.42Å; C484-C496 WeakPolarHBondContact SG-CB 3.04Å; C484-C496 CovalentContact SG-SG 2.04Å; C484-C496 PolarHBondContact SG-SG 3.26Å; M489-C496 HydrophobicContact CB-CB 4.12Å; M489-C496 HydrophobicContact SD-CB 4Å |
| 497 | L | 66.4 | Low | 45.9 | Very low | 87 Ų | 87 | 111.7 Ų | 111.7 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.5 | -175.2 | -70.2 | 174.7 | 0 | 0 | 0 | 111.5 | M489 Q490 V492 R495 V499 | M489-L497 CarbonylContact C-O 3.38Å; M489-L497 WeakPolarHBondContact CA-O 3Å; Q490-L497 PolarHBondContact N-O 3Å; Q490-L497 PolarHBondContact O-N 3.38Å; V492-L497 HydrophobicContact CB-CD1 4.24Å; R495-L497 HydrophobicContact CB-CD1 4.34Å; R495-L497 HydrophobicContact CB-CG 4.2Å; R495-L497 PolarHBondContact O-N 2.92Å; L497-V499 PolarHBondContact O-N 3.34Å |
| 498 | V | 56.2 | Low | 44.2 | Very low | 71 Ų | 71 | 104.5 Ų | 104.5 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 112 | 176.7 | -178 | 0 | 0 | 0 | 0 | 109.2 | Q488 M489 | Q488-V498 HydrophobicContact CG-CG2 4.24Å; M489-V498 HydrophobicContact CE-CG2 4.41Å; M489-V498 HydrophobicContact CG-CG2 3.74Å |
| 499 | V | 39.2 | Very low | 42.3 | Very low | 78 Ų | 78 | 106.9 Ų | 106.9 | 47% | 0.473 | 60% | 0.603 | S | S | . | * | trans | -96.2 | 123.5 | -175.7 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | Q490 V492 L497 | Q490-V499 HydrophobicContact CB-CG2 4.13Å; V492-V499 HydrophobicContact CG2-CG2 3.65Å; L497-V499 PolarHBondContact O-N 3.34Å | ||
| 500 | Q | 41 | Very low | 40.6 | Very low | 168 Ų | 168 | 109.5 Ų | 109.5 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | trans | -122.5 | 152.4 | 171.2 | -71.8 | -166.1 | -3 | 0 | 0 | 111.7 | ||||
| 501 | P | 28.4 | Very low | 38.9 | Very low | 119 Ų | 119 | 110.9 Ų | 110.9 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | trans | -97 | 128.8 | -151.1 | -6.9 | 27.8 | 0 | 0 | 0 | 115.8 | ||||
| 502 | V | 23.3 | Very low | 36.9 | Very low | 127 Ų | 127 | 113.8 Ų | 113.8 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | trans | 34.5 | 116.3 | 130.8 | -168.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 503 | S | 23.1 | Very low | 35 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 81% | 0.811 | 66% | 0.655 | S | S | * | * | 155.5 | 160.3 | 124.6 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 504 | S | 20.8 | Very low | 33.5 | Very low | 91 Ų | 91 | 120.1 Ų | 120.1 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | cis | -174.9 | 136.8 | -41 | -93.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 505 | N | 21.3 | Very low | 31.9 | Very low | 152 Ų | 152 | 121.5 Ų | 121.5 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | trans | 75.7 | 165.4 | 154.7 | -53.4 | -9.6 | 0 | 0 | 0 | 120.8 | ||||
| 506 | A | 22.8 | Very low | 30.1 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | 65.6 | 110.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 507 | I | 21.1 | Very low | 28.1 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | cis | 78.1 | 138.7 | 25.1 | -37.6 | 165.3 | 0 | 0 | 0 | 114.5 | ||||
| 508 | V | 21 | Very low | 26.3 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 70% | 0.703 | 72% | 0.724 | S | S | * | * | trans | 109.2 | 104.5 | 159.6 | -175.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 509 | E | 19.2 | Very low | 25.6 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | 60.1 | 122.6 | 135.5 | -63.2 | 178.5 | 165 | 0 | 0 | 123.3 | ||||
| 510 | V | 21.9 | Very low | 26.1 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | 84.8 | 120.7 | 86.6 | 175.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 511 | H | 22.5 | Very low | 27.2 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | 169.3 | 126.3 | 127 | -96 | -64.6 | 0 | 0 | 0 | 116.2 | |||||
| 512 | H | 21.3 | Very low | 28.9 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 66% | 0.662 | 68% | 0.684 | S | S | * | * | trans | 58.1 | 125.1 | 133.9 | -76.6 | -165.4 | 0 | 0 | 0 | 125.5 | ||||
| 513 | K | 20.7 | Very low | 30.6 | Very low | 176 Ų | 176 | 118.9 Ų | 118.9 | 77% | 0.765 | 65% | 0.65 | S | S | * | * | 65.3 | 113.1 | 126.2 | -64.4 | -173.1 | 178.9 | -175 | 0 | 122 | |||||
| 514 | L | 21.8 | Very low | 32.5 | Very low | 177 Ų | 177 | 115.6 Ų | 115.6 | 93% | 0.927 | 63% | 0.634 | S | S | * | * | 52.8 | 113.7 | 116.6 | -164.9 | 78.4 | 0 | 0 | 0 | 119.7 | |||||
| 515 | G | 25.1 | Very low | 35 | Very low | 63 Ų | 63 | 113.3 Ų | 113.3 | 65% | 0.649 | 62% | 0.618 | S | S | * | * | trans | 118 | 128.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 516 | N | 25 | Very low | 37.3 | Very low | 160 Ų | 160 | 109.9 Ų | 109.9 | 86% | 0.856 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 64.4 | 148.2 | 170 | -67.3 | -6.2 | 0 | 0 | 0 | 118.6 | K518 | N516-K518 PolarHBondContact O-N 3.36Š|
| 517 | Q | 27.7 | Very low | 39.6 | Very low | 192 Ų | 192 | 106.4 Ų | 106.4 | 90% | 0.897 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 121.7 | -169.6 | -66.1 | 162.3 | -42.9 | 0 | 0 | 111.1 | ||
| 518 | K | 29.6 | Very low | 41.8 | Very low | 121 Ų | 121 | 100.5 Ų | 100.5 | 53% | 0.526 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -87.8 | 122.8 | 172.2 | -64.4 | -177.8 | 179.9 | 178.7 | 0 | 109.8 | N516 A530 I532 | N516-K518 PolarHBondContact O-N 3.36Å; K518-A530 VanDerWaalsContact CA-O 3.23Å; K518-A530 WeakPolarHBondContact CA-O 3.26Å; K518-A530 WeakPolarHBondContact CB-O 3.07Å; K518-I532 HydrophobicContact CB-CD1 3.85Å; K518-I532 HydrophobicContact CB-CG1 4.07Å; K518-I532 HydrophobicContact CD-CD1 4.24Å; K518-I532 HydrophobicContact CD-CG1 4.3Å |
| 519 | T | 41.6 | Very low | 43.5 | Very low | 88 Ų | 88 | 103.2 Ų | 103.2 | 54% | 0.54 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82 | 155.6 | 176.2 | 47 | 0 | 0 | 0 | 0 | 111.1 | A530 V531 I532 | T519-A530 PolarHBondContact N-O 2.85Å; T519-V531 CarbonylContact O-C 3.44Å; T519-V531 WeakPolarHBondContact O-CA 3.44Å; T519-V531 VanDerWaalsContact O-CG1 3.31Å; T519-V531 WeakPolarHBondContact O-CG1 3.2Å; T519-I532 PolarHBondContact O-N 2.79Å |
| 520 | F | 49.1 | Very low | 44.9 | Very low | 139 Ų | 139 | 97.8 Ų | 97.8 | 61% | 0.61 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.4 | 178.7 | -61.3 | -86.8 | 0 | 0 | 0 | 110.2 | I532 V534 | F520-I532 CarbonylContact C-O 3.49Å; F520-I532 WeakPolarHBondContact CA-O 3.45Å; F520-I532 HydrophobicContact CD1-CB 3.72Å; F520-I532 HydrophobicContact CD1-CD1 4.33Å; F520-I532 HydrophobicContact CD1-CG2 3.75Å; F520-I532 HydrophobicContact CE1-CB 4Å; F520-I532 HydrophobicContact CE1-CD1 3.77Å; F520-I532 HydrophobicContact CE1-CG1 4.49Å; F520-I532 HydrophobicContact CE1-CG2 3.86Å; F520-I532 HydrophobicContact CZ-CD1 4.2Å; F520-V534 HydrophobicContact CB-CG1 3.98Å; F520-V534 HydrophobicContact CD1-CG1 3.79Å; F520-V534 HydrophobicContact CG-CG1 4.24Å |
| 521 | V | 64.7 | Low | 46.8 | Very low | 38 Ų | 38 | 94.5 Ų | 94.5 | 23% | 0.23 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.9 | 176.5 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | V531 I532 C533 V534 | V521-V531 HydrophobicContact CB-CG1 4Å; V521-V531 HydrophobicContact CG1-CG1 3.45Å; V521-V531 VanDerWaalsContact CG1-CG1 3.45Å; V521-V531 HydrophobicContact CG2-CG1 3.48Å; V521-V531 VanDerWaalsContact CG2-CG1 3.48Å; V521-I532 PolarHBondContact N-O 3.21Å; V521-C533 WeakPolarHBondContact O-CA 3.08Å; V521-V534 WeakPolarHBondContact O-CG2 3.34Å; V521-V534 PolarHBondContact O-N 3.14Å |
| 522 | S | 62.9 | Low | 48.8 | Very low | 35 Ų | 35 | 90.4 Ų | 90.4 | 25% | 0.245 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 153.1 | -179.1 | -53.5 | 0 | 0 | 0 | 0 | 113.5 | S525 N555 | S522-S525 WeakPolarHBondContact O-CB 3.45Å; S522-S525 PolarHBondContact O-N 3.29Å; S522-S525 PolarHBondContact O-OG 2.87Å; S522-N555 WeakPolarHBondContact CB-OD1 3.46Å; S522-N555 PolarHBondContact OG-ND2 3.33Å; S522-N555 PolarHBondContact OG-OD1 2.89Å |
| 523 | A | 58.7 | Low | 50.8 | Low | 6 Ų | 6 | 84.7 Ų | 84.7 | 5% | 0.05 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 141.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S525 A537 C544 Q552 | A523-S525 VanDerWaalsContact C-N 3.25Å; A523-S525 PolarHBondContact O-N 2.8Å; A523-A537 HydrophobicContact CB-CB 3.66Å; A523-C544 CarbonylContact C-O 3.51Å; A523-C544 WeakPolarHBondContact CA-O 3.35Å; A523-Q552 VanDerWaalsContact CB-CD 3.41Å; A523-Q552 HydrophobicContact CB-CG 3.9Å; A523-Q552 PolarHBondContact O-NE2 2.91Å |
| 524 | G | 63.3 | Low | 52.8 | Low | 47 Ų | 47 | 79 Ų | 79 | 49% | 0.485 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -11.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C544 | G524-C544 PolarHBondContact N-O 3.47Š|
| 525 | S | 73.3 | Confident | 54.6 | Low | 43 Ų | 43 | 71.8 Ų | 71.8 | 30% | 0.301 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -80.1 | 154.3 | 175.2 | -56 | 0 | 0 | 0 | 0 | 111.7 | S522 A523 I543 C544 | S522-S525 WeakPolarHBondContact O-CB 3.45Å; S522-S525 PolarHBondContact O-N 3.29Å; S522-S525 PolarHBondContact O-OG 2.87Å; A523-S525 VanDerWaalsContact C-N 3.25Å; A523-S525 PolarHBondContact O-N 2.8Å; S525-I543 WeakPolarHBondContact O-CA 3.17Å; S525-C544 PolarHBondContact O-N 2.91Å |
| 526 | A | 70.6 | Confident | 56.4 | Low | 81 Ų | 81 | 71.6 Ų | 71.6 | 67% | 0.669 | 44% | 0.44 | S | S | * | . | B | Isolated β-bridge | trans | -64.4 | 140.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G542 | A526-G542 CarbonylContact C-O 3.52Å; A526-G542 VanDerWaalsContact CA-O 3.22Å; A526-G542 WeakPolarHBondContact CA-O 3.15Å |
| 527 | C | 70.6 | Confident | 58.6 | Low | 15 Ų | 15 | 64.4 Ų | 64.4 | 10% | 0.101 | 40% | 0.403 | C | S | . | . | trans | -133.9 | 156.5 | -179 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | C539 G542 I543 | C527-C539 HydrophobicContact CB-CB 4.01Å; C527-C539 WeakPolarHBondContact CB-SG 3.44Å; C527-C539 WeakPolarHBondContact SG-CA 3.3Å; C527-C539 WeakPolarHBondContact SG-CB 3.21Å; C527-C539 CovalentContact SG-SG 2.04Å; C527-C539 PolarHBondContact SG-SG 3.38Å; C527-G542 PolarHBondContact N-O 3.38Å; C527-G542 WeakPolarHBondContact O-CA 3.36Å; C527-I543 PolarHBondContact SG-N 3.05Å | ||
| 528 | G | 66.5 | Low | 60.6 | Low | 34 Ų | 34 | 59.6 Ų | 59.6 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | trans | -162.1 | -175.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | A530 V531 | G528-A530 PolarHBondContact O-N 2.92Å; G528-V531 PolarHBondContact O-N 2.85Å | ||
| 529 | N | 56.9 | Low | 62.7 | Low | 172 Ų | 172 | 56.7 Ų | 56.7 | 92% | 0.92 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -10.7 | -164.4 | -60 | -6 | 0 | 0 | 0 | 116.4 | ||
| 530 | A | 49.3 | Very low | 64.1 | Low | 58 Ų | 58 | 55.3 Ų | 55.3 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 8.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K518 T519 G528 | K518-A530 VanDerWaalsContact CA-O 3.23Å; K518-A530 WeakPolarHBondContact CA-O 3.26Å; K518-A530 WeakPolarHBondContact CB-O 3.07Å; T519-A530 PolarHBondContact N-O 2.85Å; G528-A530 PolarHBondContact O-N 2.92Å |
| 531 | V | 62.5 | Low | 64.9 | Low | 42 Ų | 42 | 56.3 Ų | 56.3 | 26% | 0.255 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 137.3 | -167.8 | -157.1 | 0 | 0 | 0 | 0 | 112.1 | T519 V521 G528 | T519-V531 CarbonylContact O-C 3.44Å; T519-V531 WeakPolarHBondContact O-CA 3.44Å; T519-V531 VanDerWaalsContact O-CG1 3.31Å; T519-V531 WeakPolarHBondContact O-CG1 3.2Å; V521-V531 HydrophobicContact CB-CG1 4Å; V521-V531 HydrophobicContact CG1-CG1 3.45Å; V521-V531 VanDerWaalsContact CG1-CG1 3.45Å; V521-V531 HydrophobicContact CG2-CG1 3.48Å; V521-V531 VanDerWaalsContact CG2-CG1 3.48Å; G528-V531 PolarHBondContact O-N 2.85Å |
| 532 | I | 63.7 | Low | 65.3 | Low | 69 Ų | 69 | 56 Ų | 56 | 35% | 0.354 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.4 | -178.6 | -61.3 | 169.1 | 0 | 0 | 0 | 110.1 | K518 T519 F520 V521 V534 | K518-I532 HydrophobicContact CB-CD1 3.85Å; K518-I532 HydrophobicContact CB-CG1 4.07Å; K518-I532 HydrophobicContact CD-CD1 4.24Å; K518-I532 HydrophobicContact CD-CG1 4.3Å; T519-I532 PolarHBondContact O-N 2.79Å; F520-I532 CarbonylContact C-O 3.49Å; F520-I532 WeakPolarHBondContact CA-O 3.45Å; F520-I532 HydrophobicContact CD1-CB 3.72Å; F520-I532 HydrophobicContact CD1-CD1 4.33Å; F520-I532 HydrophobicContact CD1-CG2 3.75Å; F520-I532 HydrophobicContact CE1-CB 4Å; F520-I532 HydrophobicContact CE1-CD1 3.77Å; F520-I532 HydrophobicContact CE1-CG1 4.49Å; F520-I532 HydrophobicContact CE1-CG2 3.86Å; F520-I532 HydrophobicContact CZ-CD1 4.2Å; V521-I532 PolarHBondContact N-O 3.21Å; I532-V534 PolarHBondContact O-N 2.88Å |
| 533 | C | 62.6 | Low | 65.6 | Low | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.155 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 123 | 173.8 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | V521 A537 C544 | V521-C533 WeakPolarHBondContact O-CA 3.08Å; C533-A537 HydrophobicContact CB-CB 4.38Å; C533-A537 WeakPolarHBondContact CB-O 3.33Å; C533-C544 VanDerWaalsContact CA-SG 3.52Å; C533-C544 HydrophobicContact CB-CB 3.74Å; C533-C544 WeakPolarHBondContact CB-SG 3.37Å; C533-C544 VanDerWaalsContact SG-CA 3.55Å; C533-C544 WeakPolarHBondContact SG-CB 3.36Å; C533-C544 CovalentContact SG-SG 2.04Å; C533-C544 PolarHBondContact SG-SG 2.9Å |
| 534 | V | 62.8 | Low | 66.3 | Low | 55 Ų | 55 | 57.7 Ų | 57.7 | 33% | 0.333 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 154.4 | 170.5 | -79.5 | 0 | 0 | 0 | 0 | 112.2 | F520 V521 I532 | F520-V534 HydrophobicContact CB-CG1 3.98Å; F520-V534 HydrophobicContact CD1-CG1 3.79Å; F520-V534 HydrophobicContact CG-CG1 4.24Å; V521-V534 WeakPolarHBondContact O-CG2 3.34Å; V521-V534 PolarHBondContact O-N 3.14Å; I532-V534 PolarHBondContact O-N 2.88Å |
| 535 | G | 60.9 | Low | 66.8 | Low | 27 Ų | 27 | 59.6 Ų | 59.6 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 101.5 | 3.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | N555 R556 C557 | G535-N555 WeakPolarHBondContact CA-O 3.34Å; G535-R556 WeakPolarHBondContact O-CA 3.36Å; G535-C557 PolarHBondContact O-N 2.88Å |
| 536 | G | 61.6 | Low | 66.7 | Low | 58 Ų | 58 | 59 Ų | 59 | 60% | 0.598 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 84.1 | 13.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C557 | G536-C557 VanDerWaalsContact C-SG 3.5Å; G536-C557 PolarHBondContact O-SG 2.87Å |
| 537 | A | 71.5 | Confident | 66.2 | Low | 10 Ų | 10 | 56.9 Ų | 56.9 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 152.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A523 C533 C544 Q545 | A523-A537 HydrophobicContact CB-CB 3.66Å; C533-A537 HydrophobicContact CB-CB 4.38Å; C533-A537 WeakPolarHBondContact CB-O 3.33Å; A537-C544 HydrophobicContact CB-CB 4.12Å; A537-Q545 CarbonylContact C-O 3.57Å; A537-Q545 VanDerWaalsContact CA-O 3.24Å; A537-Q545 WeakPolarHBondContact CA-O 3.29Å; A537-Q545 WeakPolarHBondContact CB-O 3.31Å |
| 538 | V | 70.4 | Confident | 65.6 | Low | 91 Ų | 91 | 66.8 Ų | 66.8 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 143 | -179.6 | -178 | 0 | 0 | 0 | 0 | 108.7 | V540 C544 Q545 | V538-V540 HydrophobicContact CG1-CG2 4.47Å; V538-V540 PolarHBondContact O-N 3.05Å; V538-C544 CarbonylContact O-C 3.57Å; V538-C544 WeakPolarHBondContact O-CA 3.49Å; V538-Q545 PolarHBondContact N-O 3.34Å; V538-Q545 PolarHBondContact O-N 3.39Å |
| 539 | C | 72.7 | Confident | 64.7 | Low | 59 Ų | 59 | 68.5 Ų | 68.5 | 40% | 0.399 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 110.3 | 176.2 | -167.8 | 0 | 0 | 0 | 0 | 109.9 | C527 | C527-C539 HydrophobicContact CB-CB 4.01Å; C527-C539 WeakPolarHBondContact CB-SG 3.44Å; C527-C539 WeakPolarHBondContact SG-CA 3.3Å; C527-C539 WeakPolarHBondContact SG-CB 3.21Å; C527-C539 CovalentContact SG-SG 2.04Å; C527-C539 PolarHBondContact SG-SG 3.38Å |
| 540 | V | 70.9 | Confident | 64.7 | Low | 59 Ų | 59 | 63.8 Ų | 63.8 | 36% | 0.358 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.6 | 179.5 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | V538 G542 I543 Q545 | V538-V540 HydrophobicContact CG1-CG2 4.47Å; V538-V540 PolarHBondContact O-N 3.05Å; V540-G542 PolarHBondContact O-N 2.98Å; V540-G542 VanDerWaalsContact O-N 3.11Å; V540-I543 PolarHBondContact N-O 2.92Å; V540-I543 PolarHBondContact O-N 3.32Å; V540-I543 VanDerWaalsContact O-O 3.05Å; V540-Q545 HydrophobicContact CB-CB 4.47Å; V540-Q545 HydrophobicContact CB-CG 4.35Å; V540-Q545 HydrophobicContact CG2-CB 4.49Å |
| 541 | D | 67.3 | Low | 64.9 | Low | 160 Ų | 160 | 69.4 Ų | 69.4 | 86% | 0.856 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 38.6 | -177.3 | -57.6 | -36 | 0 | 0 | 0 | 114 | ||
| 542 | G | 71.9 | Confident | 64.7 | Low | 31 Ų | 31 | 71 Ų | 71 | 32% | 0.32 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 15.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A526 C527 V540 | A526-G542 CarbonylContact C-O 3.52Å; A526-G542 VanDerWaalsContact CA-O 3.22Å; A526-G542 WeakPolarHBondContact CA-O 3.15Å; C527-G542 PolarHBondContact N-O 3.38Å; C527-G542 WeakPolarHBondContact O-CA 3.36Å; V540-G542 PolarHBondContact O-N 2.98Å; V540-G542 VanDerWaalsContact O-N 3.11Å |
| 543 | I | 69.1 | Low | 64.2 | Low | 78 Ų | 78 | 70.8 Ų | 70.8 | 40% | 0.4 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.8 | 173.7 | -56.7 | 177.7 | 0 | 0 | 0 | 110.5 | S525 C527 V540 Q545 | S525-I543 WeakPolarHBondContact O-CA 3.17Å; C527-I543 PolarHBondContact SG-N 3.05Å; V540-I543 PolarHBondContact N-O 2.92Å; V540-I543 PolarHBondContact O-N 3.32Å; V540-I543 VanDerWaalsContact O-O 3.05Å; I543-Q545 HydrophobicContact CB-CG 4.39Å; I543-Q545 HydrophobicContact CG2-CG 4.19Å; I543-Q545 PolarHBondContact O-N 2.83Å; I543-Q545 VanDerWaalsContact O-N 3.12Å |
| 544 | C | 74.4 | Confident | 64 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 97.3 | 176 | -69.1 | 0 | 0 | 0 | 0 | 111.8 | A523 G524 S525 C533 A537 V538 | A523-C544 CarbonylContact C-O 3.51Å; A523-C544 WeakPolarHBondContact CA-O 3.35Å; G524-C544 PolarHBondContact N-O 3.47Å; S525-C544 PolarHBondContact O-N 2.91Å; C533-C544 VanDerWaalsContact CA-SG 3.52Å; C533-C544 HydrophobicContact CB-CB 3.74Å; C533-C544 WeakPolarHBondContact CB-SG 3.37Å; C533-C544 VanDerWaalsContact SG-CA 3.55Å; C533-C544 WeakPolarHBondContact SG-CB 3.36Å; C533-C544 CovalentContact SG-SG 2.04Å; C533-C544 PolarHBondContact SG-SG 2.9Å; A537-C544 HydrophobicContact CB-CB 4.12Å; V538-C544 CarbonylContact O-C 3.57Å; V538-C544 WeakPolarHBondContact O-CA 3.49Å |
| 545 | Q | 74.3 | Confident | 63.4 | Low | 87 Ų | 87 | 79.5 Ų | 79.5 | 41% | 0.407 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 148.8 | -176.3 | -59.7 | -175.3 | 30.1 | 0 | 0 | 113.1 | A537 V538 V540 I543 | A537-Q545 CarbonylContact C-O 3.57Å; A537-Q545 VanDerWaalsContact CA-O 3.24Å; A537-Q545 WeakPolarHBondContact CA-O 3.29Å; A537-Q545 WeakPolarHBondContact CB-O 3.31Å; V538-Q545 PolarHBondContact N-O 3.34Å; V538-Q545 PolarHBondContact O-N 3.39Å; V540-Q545 HydrophobicContact CB-CB 4.47Å; V540-Q545 HydrophobicContact CB-CG 4.35Å; V540-Q545 HydrophobicContact CG2-CB 4.49Å; I543-Q545 HydrophobicContact CB-CG 4.39Å; I543-Q545 HydrophobicContact CG2-CG 4.19Å; I543-Q545 PolarHBondContact O-N 2.83Å; I543-Q545 VanDerWaalsContact O-N 3.12Å |
| 546 | C | 70.5 | Confident | 62.8 | Low | 30 Ų | 30 | 87 Ų | 87 | 20% | 0.203 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 141.5 | 170.7 | -69.4 | 0 | 0 | 0 | 0 | 111.7 | C557 | C546-C557 VanDerWaalsContact CA-SG 3.5Å; C546-C557 HydrophobicContact CB-CB 3.8Å; C546-C557 WeakPolarHBondContact CB-SG 3.45Å; C546-C557 VanDerWaalsContact SG-CA 3.52Å; C546-C557 WeakPolarHBondContact SG-CB 3.18Å; C546-C557 CovalentContact SG-SG 2.03Å; C546-C557 PolarHBondContact SG-SG 3.17Å |
| 547 | G | 59.1 | Low | 62.9 | Low | 37 Ų | 37 | 85.1 Ų | 85.1 | 38% | 0.381 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 154.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G549 L550 | G547-G549 PolarHBondContact O-N 3.19Å; G547-L550 PolarHBondContact O-N 2.73Å |
| 548 | K | 58.5 | Low | 62.2 | Low | 222 Ų | 222 | 88.6 Ų | 88.6 | 97% | 0.965 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 130.5 | 179 | -72 | -177.2 | 177.2 | 178 | 0 | 111.4 | ||
| 549 | G | 48 | Very low | 60.8 | Low | 70 Ų | 70 | 94.2 Ų | 94.2 | 72% | 0.722 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -2.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | G547 | G547-G549 PolarHBondContact O-N 3.19Š|
| 550 | L | 56.9 | Low | 58.7 | Low | 74 Ų | 74 | 99 Ų | 99 | 39% | 0.387 | 50% | 0.498 | S | S | . | . | trans | -121.1 | 133.8 | 169.6 | -60.6 | 169.8 | 0 | 0 | 0 | 110 | G547 C557 I558 R559 | G547-L550 PolarHBondContact O-N 2.73Å; L550-C557 HydrophobicContact CB-CB 3.85Å; L550-C557 HydrophobicContact CD1-CB 3.99Å; L550-C557 HydrophobicContact CG-CB 4.5Å; L550-I558 CarbonylContact C-O 3.56Å; L550-I558 WeakPolarHBondContact CA-O 3.42Å; L550-R559 HydrophobicContact CD2-CB 3.96Å; L550-R559 HydrophobicContact CD2-CG 4.4Å | ||
| 551 | R | 52.4 | Low | 56.9 | Low | 175 Ų | 175 | 102.2 Ų | 102.2 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.4 | 175 | -178.9 | 173 | 165.6 | -173.2 | -4.1 | 110.2 | V553 I558 | R551-V553 PolarHBondContact O-N 2.89Å; R551-I558 PolarHBondContact N-O 2.88Å; R551-I558 PolarHBondContact O-N 3.5Å |
| 552 | Q | 59.1 | Low | 54.8 | Low | 76 Ų | 76 | 100.9 Ų | 100.9 | 36% | 0.355 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 125.5 | 172.7 | -173.5 | 179.1 | -20.5 | 0 | 0 | 110.5 | A523 Q554 | A523-Q552 VanDerWaalsContact CB-CD 3.41Å; A523-Q552 HydrophobicContact CB-CG 3.9Å; A523-Q552 PolarHBondContact O-NE2 2.91Å; Q552-Q554 PolarHBondContact NE2-O 2.73Å |
| 553 | V | 53.4 | Low | 52.5 | Low | 65 Ų | 65 | 103.4 Ų | 103.4 | 39% | 0.394 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 122.5 | 168.6 | 175.1 | 0 | 0 | 0 | 0 | 107.8 | R551 N555 R556 I558 | R551-V553 PolarHBondContact O-N 2.89Å; V553-N555 PolarHBondContact O-N 3.33Å; V553-R556 PolarHBondContact N-O 3.13Å; V553-R556 PolarHBondContact O-N 3.26Å; V553-I558 HydrophobicContact CB-CD1 3.81Å; V553-I558 HydrophobicContact CB-CG1 4.05Å; V553-I558 HydrophobicContact CG1-CD1 4.26Å; V553-I558 HydrophobicContact CG2-CD1 3.67Å; V553-I558 HydrophobicContact CG2-CG1 3.82Å |
| 554 | Q | 58.9 | Low | 50.2 | Low | 174 Ų | 174 | 109 Ų | 109 | 81% | 0.813 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.1 | -123.2 | -165.8 | -57.8 | 174.5 | -23 | 0 | 0 | 109.9 | Q552 | Q552-Q554 PolarHBondContact NE2-O 2.73Š|
| 555 | N | 50.4 | Low | 47.7 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 46% | 0.46 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.3 | 35.6 | 177.8 | -57.3 | -18.1 | 0 | 0 | 0 | 111.6 | S522 G535 V553 | S522-N555 WeakPolarHBondContact CB-OD1 3.46Å; S522-N555 PolarHBondContact OG-ND2 3.33Å; S522-N555 PolarHBondContact OG-OD1 2.89Å; G535-N555 WeakPolarHBondContact CA-O 3.34Å; V553-N555 PolarHBondContact O-N 3.33Å |
| 556 | R | 47.8 | Very low | 45.3 | Very low | 184 Ų | 184 | 119 Ų | 119 | 69% | 0.694 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.5 | 174 | -95.3 | -179.9 | 167.5 | 142.2 | -3.8 | 111.9 | G535 V553 I558 | G535-R556 WeakPolarHBondContact O-CA 3.36Å; V553-R556 PolarHBondContact N-O 3.13Å; V553-R556 PolarHBondContact O-N 3.26Å; R556-I558 HydrophobicContact CB-CG2 4.28Å |
| 557 | C | 64.1 | Low | 43 | Very low | 19 Ų | 19 | 122.3 Ų | 122.3 | 13% | 0.128 | 63% | 0.633 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 117.9 | 171.3 | -56 | 0 | 0 | 0 | 0 | 109.3 | G535 G536 C546 L550 | G535-C557 PolarHBondContact O-N 2.88Å; G536-C557 VanDerWaalsContact C-SG 3.5Å; G536-C557 PolarHBondContact O-SG 2.87Å; C546-C557 VanDerWaalsContact CA-SG 3.5Å; C546-C557 HydrophobicContact CB-CB 3.8Å; C546-C557 WeakPolarHBondContact CB-SG 3.45Å; C546-C557 VanDerWaalsContact SG-CA 3.52Å; C546-C557 WeakPolarHBondContact SG-CB 3.18Å; C546-C557 CovalentContact SG-SG 2.03Å; C546-C557 PolarHBondContact SG-SG 3.17Å; L550-C557 HydrophobicContact CB-CB 3.85Å; L550-C557 HydrophobicContact CD1-CB 3.99Å; L550-C557 HydrophobicContact CG-CB 4.5Å |
| 558 | I | 56.9 | Low | 41.3 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 43% | 0.426 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.5 | 163.2 | -175.1 | 68.9 | 170.3 | 0 | 0 | 0 | 113.2 | L550 R551 V553 R556 | L550-I558 CarbonylContact C-O 3.56Å; L550-I558 WeakPolarHBondContact CA-O 3.42Å; R551-I558 PolarHBondContact N-O 2.88Å; R551-I558 PolarHBondContact O-N 3.5Å; V553-I558 HydrophobicContact CB-CD1 3.81Å; V553-I558 HydrophobicContact CB-CG1 4.05Å; V553-I558 HydrophobicContact CG1-CD1 4.26Å; V553-I558 HydrophobicContact CG2-CD1 3.67Å; V553-I558 HydrophobicContact CG2-CG1 3.82Å; R556-I558 HydrophobicContact CB-CG2 4.28Å |
| 559 | R | 39.5 | Very low | 39.7 | Very low | 209 Ų | 209 | 123.1 Ų | 123.1 | 79% | 0.789 | 64% | 0.644 | S | S | * | * | trans | -115.3 | 147.1 | -174.2 | -155.3 | 177.4 | -171.2 | -176.4 | 2.2 | 109.8 | L550 P561 | L550-R559 HydrophobicContact CD2-CB 3.96Å; L550-R559 HydrophobicContact CD2-CG 4.4Å; R559-P561 WeakPolarHBondContact O-CD 3.24Å | ||
| 560 | E | 29.9 | Very low | 38.6 | Very low | 159 Ų | 159 | 123.4 Ų | 123.4 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | trans | -82 | 134.6 | -171.8 | -60.3 | -175.3 | 150.5 | 0 | 0 | 114 | ||||
| 561 | P | 32.3 | Very low | 37.1 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 83% | 0.831 | 66% | 0.663 | S | S | * | * | trans | -117.3 | 171.4 | 138.9 | 0.2 | 21.8 | 0 | 0 | 0 | 111.7 | R559 | R559-P561 WeakPolarHBondContact O-CD 3.24Š| ||
| 562 | V | 23.8 | Very low | 35.6 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 80% | 0.8 | 67% | 0.673 | S | S | * | * | trans | -119.1 | 131.6 | -156 | 178.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 563 | A | 23.2 | Very low | 33.8 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 69% | 0.689 | S | S | * | * | trans | 68.9 | 155 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 564 | K | 20.3 | Very low | 32.3 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | cis | -165.4 | 179.7 | -17 | -109 | 176 | -179.5 | 177.9 | 0 | 109.2 | ||||
| 565 | V | 21.9 | Very low | 30.6 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 75% | 0.745 | 71% | 0.706 | S | S | * | * | trans | 78.9 | 103.3 | 169.7 | -169.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 566 | Q | 23.7 | Very low | 29.3 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | 87.1 | 156.7 | 67 | -79.2 | -175.1 | -27.2 | 0 | 0 | 114.4 | |||||
| 567 | P | 23 | Very low | 28.2 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | -147.4 | 154.2 | -53.2 | 41.4 | -23.3 | 0 | 0 | 0 | 117.2 | |||||
| 568 | I | 22.9 | Very low | 26.2 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 82% | 0.821 | 75% | 0.746 | S | S | * | * | trans | 61.4 | 156.1 | 136.3 | -67.6 | 171.9 | 0 | 0 | 0 | 119.4 | ||||
| 569 | P | 25.5 | Very low | 24.6 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | cis | -137.3 | 141.9 | 8.3 | 30 | -5.8 | 0 | 0 | 0 | 120.6 | ||||
| 570 | G | 24.2 | Very low | 23.7 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 62.8 | -175.3 | 136 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 571 | P | 26.4 | Very low | 23.3 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -140.7 | 157.6 | -13.6 | 40.9 | -23.6 | 0 | 0 | 0 | 117.9 | ||||
| 572 | K | 21.1 | Very low | 22.8 | Very low | 199 Ų | 199 | 135.7 Ų | 135.7 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | 70.7 | 157.3 | 153.5 | -68.3 | 168.5 | -178.5 | 178.5 | 0 | 117.7 | ||||
| 573 | V | 21.6 | Very low | 22.8 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | cis | -155.2 | 139.2 | 9.1 | 98.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 574 | I | 21.7 | Very low | 23 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | 50.7 | 107.6 | 142.9 | -64 | 173.2 | 0 | 0 | 0 | 123.9 | ||||
| 575 | L | 23.1 | Very low | 23.6 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | 61 | 162.8 | 123.4 | -65.4 | 169.6 | 0 | 0 | 0 | 123.7 | |||||
| 576 | P | 22.6 | Very low | 24.7 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | trans | -134 | -173.8 | -144.4 | 47.7 | -33.5 | 0 | 0 | 0 | 118.3 | ||||
| 577 | Q | 23.9 | Very low | 26.2 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 84% | 0.836 | 72% | 0.719 | S | S | * | * | trans | 73.2 | 159.4 | 161.2 | -71.3 | -175.1 | 14.1 | 0 | 0 | 117.9 | ||||
| 578 | P | 22.3 | Very low | 28.1 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | cis | -140.4 | -175.8 | -35.5 | 39.8 | -23.2 | 0 | 0 | 0 | 115.1 | ||||
| 579 | L | 23.1 | Very low | 30.2 | Very low | 164 Ų | 164 | 122 Ų | 122 | 86% | 0.859 | 69% | 0.688 | S | S | * | * | trans | 81.8 | 151.1 | 161.1 | -66.3 | 169.9 | 0 | 0 | 0 | 119.8 | ||||
| 580 | P | 21.4 | Very low | 31.6 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 70% | 0.695 | 67% | 0.669 | S | S | * | * | trans | -129.4 | 150.7 | -162.4 | 40 | -22.4 | 0 | 0 | 0 | 116.5 | ||||
| 581 | Q | 21.1 | Very low | 33.5 | Very low | 190 Ų | 190 | 120.5 Ų | 120.5 | 89% | 0.888 | 66% | 0.656 | S | S | * | * | trans | -139.9 | 132 | 141.2 | -73.2 | -163.4 | -22.9 | 0 | 0 | 108.9 | ||||
| 582 | P | 22.6 | Very low | 35.4 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 81% | 0.805 | 66% | 0.658 | S | S | * | * | trans | -95.2 | 122.5 | -178.3 | 34.2 | -30.4 | 0 | 0 | 0 | 112.2 | ||||
| 583 | T | 23.5 | Very low | 37.1 | Very low | 132 Ų | 132 | 117.9 Ų | 117.9 | 81% | 0.81 | 64% | 0.643 | S | S | * | * | trans | -141.8 | 164.6 | 154.1 | 45.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 584 | E | 27.2 | Very low | 39 | Very low | 102 Ų | 102 | 113.2 Ų | 113.2 | 48% | 0.477 | 62% | 0.615 | S | S | . | * | trans | -69.9 | 128.4 | -147.8 | -78.9 | 75.7 | 173.1 | 0 | 0 | 115.4 | D616 | E584-D616 WeakPolarHBondContact CB-OD1 3.44Å; E584-D616 HydrophobicContact CG-CB 4Å; E584-D616 WeakPolarHBondContact CG-OD1 3.35Å | ||
| 585 | A | 31.8 | Very low | 40.9 | Very low | 76 Ų | 76 | 112.4 Ų | 112.4 | 63% | 0.628 | 61% | 0.613 | S | S | * | * | trans | -87.7 | 122.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109 | Y587 | A585-Y587 HydrophobicContact CB-CD2 4.17Å; A585-Y587 PolarHBondContact O-N 3.15Å | ||
| 586 | P | 46.7 | Very low | 42.5 | Very low | 46 Ų | 46 | 106 Ų | 106 | 30% | 0.299 | 59% | 0.586 | S | S | . | * | trans | -76.5 | 15.8 | -163.1 | -18.9 | 33.8 | 0 | 0 | 0 | 116.7 | R604 C605 | P586-R604 HydrophobicContact CB-CG 4.13Å; P586-R604 CarbonylContact O-C 3.43Å; P586-R604 VanDerWaalsContact O-CA 3.29Å; P586-R604 WeakPolarHBondContact O-CA 3.31Å; P586-R604 WeakPolarHBondContact O-CG 3.47Å; P586-C605 PolarHBondContact O-N 2.94Å | ||
| 587 | Y | 54.8 | Low | 44.4 | Very low | 173 Ų | 173 | 109.9 Ų | 109.9 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | B | Isolated β-bridge | trans | -103.1 | 146.7 | -163.8 | -49.9 | -75 | 0 | 0 | 0 | 113 | A585 S603 | A585-Y587 HydrophobicContact CB-CD2 4.17Å; A585-Y587 PolarHBondContact O-N 3.15Å; Y587-S603 VanDerWaalsContact CA-O 3.31Å; Y587-S603 WeakPolarHBondContact CA-O 3.33Å |
| 588 | C | 62.1 | Low | 46.6 | Very low | 5 Ų | 5 | 101.9 Ų | 101.9 | 3% | 0.034 | 56% | 0.559 | C | S | . | * | trans | -142.7 | 158.7 | -179.7 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | M593 C594 C600 S603 R604 | C588-M593 HydrophobicContact CB-CB 3.86Å; C588-C594 VanDerWaalsContact CB-SG 3.56Å; C588-C600 HydrophobicContact CB-CB 3.9Å; C588-C600 WeakPolarHBondContact CB-SG 3.42Å; C588-C600 WeakPolarHBondContact SG-CA 3.44Å; C588-C600 WeakPolarHBondContact SG-CB 3.4Å; C588-C600 CovalentContact SG-SG 2.03Å; C588-C600 PolarHBondContact SG-SG 3.2Å; C588-S603 PolarHBondContact N-O 3.48Å; C588-S603 WeakPolarHBondContact O-CA 3.49Å; C588-S603 WeakPolarHBondContact O-CB 3.36Å; C588-S603 PolarHBondContact O-OG 2.96Å; C588-R604 VanDerWaalsContact SG-C 3.57Å; C588-R604 PolarHBondContact SG-N 3.44Å; C588-R604 VanDerWaalsContact SG-N 3.39Å | ||
| 589 | L | 68 | Low | 49.1 | Very low | 146 Ų | 146 | 100.8 Ų | 100.8 | 76% | 0.764 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -116.5 | -15.8 | 170.5 | -67.1 | 168 | 0 | 0 | 0 | 112.1 | M593 | L589-M593 HydrophobicContact CB-SD 4.1Å; L589-M593 HydrophobicContact CD1-CE 4.47Å; L589-M593 HydrophobicContact CD1-SD 4.48Å; L589-M593 HydrophobicContact CG-SD 4.33Å |
| 590 | N | 55.1 | Low | 51.6 | Low | 66 Ų | 66 | 94.5 Ų | 94.5 | 35% | 0.353 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -156.8 | 164.4 | 179.7 | 54.3 | -27.6 | 0 | 0 | 0 | 108.3 | D592 M593 | N590-D592 WeakPolarHBondContact ND2-CB 3.47Å; N590-D592 PolarHBondContact ND2-OD2 3.31Å; N590-D592 PolarHBondContact O-N 2.77Å; N590-M593 PolarHBondContact O-N 2.04Å; N590-M593 WeakPolarHBondContact OD1-CG 3.17Å |
| 591 | D | 64.4 | Low | 53.9 | Low | 95 Ų | 95 | 93.4 Ų | 93.4 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -62.4 | -26.4 | 178.7 | -66.5 | -55.2 | 0 | 0 | 0 | 113 | M593 C594 C600 | D591-M593 PolarHBondContact O-N 2.93Å; D591-M593 VanDerWaalsContact O-N 3.1Å; D591-C594 WeakPolarHBondContact O-CB 3.23Å; D591-C594 PolarHBondContact O-N 3.03Å; D591-C600 WeakPolarHBondContact OD1-CB 3.05Å; D591-C600 PolarHBondContact OD1-N 2.73Å |
| 592 | D | 65.8 | Low | 55.9 | Low | 146 Ų | 146 | 91.9 Ų | 91.9 | 78% | 0.781 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -64.7 | -13.6 | 177.8 | -45.3 | -68.4 | 0 | 0 | 0 | 113.9 | N590 | N590-D592 WeakPolarHBondContact ND2-CB 3.47Å; N590-D592 PolarHBondContact ND2-OD2 3.31Å; N590-D592 PolarHBondContact O-N 2.77Å |
| 593 | M | 56.8 | Low | 57.7 | Low | 111 Ų | 111 | 89 Ų | 89 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -85.4 | -4.4 | 171.5 | -78.3 | -175.9 | 163.5 | 0 | 0 | 113.5 | C588 L589 N590 D591 | C588-M593 HydrophobicContact CB-CB 3.86Å; L589-M593 HydrophobicContact CB-SD 4.1Å; L589-M593 HydrophobicContact CD1-CE 4.47Å; L589-M593 HydrophobicContact CD1-SD 4.48Å; L589-M593 HydrophobicContact CG-SD 4.33Å; N590-M593 PolarHBondContact O-N 2.04Å; N590-M593 WeakPolarHBondContact OD1-CG 3.17Å; D591-M593 PolarHBondContact O-N 2.93Å; D591-M593 VanDerWaalsContact O-N 3.1Å |
| 594 | C | 61.3 | Low | 59.7 | Low | 18 Ų | 18 | 88.9 Ų | 88.9 | 12% | 0.122 | 47% | 0.469 | C | S | . | . | trans | -107 | 116.9 | -173 | -67.4 | 0 | 0 | 0 | 0 | 113.5 | C588 D591 S598 C605 | C588-C594 VanDerWaalsContact CB-SG 3.56Å; D591-C594 WeakPolarHBondContact O-CB 3.23Å; D591-C594 PolarHBondContact O-N 3.03Å; C594-S598 WeakPolarHBondContact CB-O 3.25Å; C594-S598 WeakPolarHBondContact CB-OG 3.3Å; C594-C605 WeakPolarHBondContact CA-SG 3.34Å; C594-C605 HydrophobicContact CB-CB 3.89Å; C594-C605 WeakPolarHBondContact CB-SG 3.49Å; C594-C605 WeakPolarHBondContact SG-CA 3.01Å; C594-C605 WeakPolarHBondContact SG-CB 3.15Å; C594-C605 CovalentContact SG-SG 2.05Å; C594-C605 PolarHBondContact SG-SG 3.15Å | ||
| 595 | N | 61.3 | Low | 61.7 | Low | 120 Ų | 120 | 85 Ų | 85 | 64% | 0.642 | 45% | 0.453 | S | S | * | . | trans | -73.5 | 158.5 | 174 | -86.5 | -39 | 0 | 0 | 0 | 112.5 | H597 S598 | N595-H597 PolarHBondContact O-N 3.08Å; N595-S598 PolarHBondContact O-N 3.15Å; N595-S598 PolarHBondContact O-OG 3.01Å | ||
| 596 | G | 57.1 | Low | 63.6 | Low | 28 Ų | 28 | 82.7 Ų | 82.7 | 29% | 0.289 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 27.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | S598 | G596-S598 PolarHBondContact O-N 3.47Š|
| 597 | H | 61.9 | Low | 64.8 | Low | 178 Ų | 178 | 81.9 Ų | 81.9 | 82% | 0.824 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27 | -173.8 | -57.6 | -25 | 0 | 0 | 0 | 114.1 | N595 | N595-H597 PolarHBondContact O-N 3.08Š|
| 598 | S | 70.6 | Confident | 65.3 | Low | 11 Ų | 11 | 77 Ų | 77 | 8% | 0.077 | 42% | 0.416 | C | S | . | . | trans | -74.3 | 146.8 | 159.1 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | C594 N595 G596 S606 | C594-S598 WeakPolarHBondContact CB-O 3.25Å; C594-S598 WeakPolarHBondContact CB-OG 3.3Å; N595-S598 PolarHBondContact O-N 3.15Å; N595-S598 PolarHBondContact O-OG 3.01Å; G596-S598 PolarHBondContact O-N 3.47Å; S598-S606 WeakPolarHBondContact CA-O 3.48Å | ||
| 599 | I | 74 | Confident | 65 | Low | 78 Ų | 78 | 82 Ų | 82 | 40% | 0.4 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.9 | -178.2 | 40.7 | 174.2 | 0 | 0 | 0 | 110.5 | I601 S606 | I599-I601 HydrophobicContact CD1-CD1 3.98Å; I599-I601 HydrophobicContact CD1-CG1 4.36Å; I599-I601 HydrophobicContact CG1-CD1 4.15Å; I599-I601 HydrophobicContact CG1-CG1 4.24Å; I599-I601 PolarHBondContact O-N 2.03Å; I599-S606 WeakPolarHBondContact CG1-O 3.24Å; I599-S606 PolarHBondContact N-O 3.5Å; I599-S606 PolarHBondContact O-N 3.25Å |
| 600 | C | 76.1 | Confident | 64.2 | Low | 32 Ų | 32 | 78.6 Ų | 78.6 | 22% | 0.216 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 83.6 | -173.5 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | C588 D591 | C588-C600 HydrophobicContact CB-CB 3.9Å; C588-C600 WeakPolarHBondContact CB-SG 3.42Å; C588-C600 WeakPolarHBondContact SG-CA 3.44Å; C588-C600 WeakPolarHBondContact SG-CB 3.4Å; C588-C600 CovalentContact SG-SG 2.03Å; C588-C600 PolarHBondContact SG-SG 3.2Å; D591-C600 WeakPolarHBondContact OD1-CB 3.05Å; D591-C600 PolarHBondContact OD1-N 2.73Å |
| 601 | I | 69.5 | Low | 64.7 | Low | 84 Ų | 84 | 77.6 Ų | 77.6 | 43% | 0.431 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 117.9 | 178.2 | -58.3 | 179.8 | 0 | 0 | 0 | 109 | I599 S603 R604 | I599-I601 HydrophobicContact CD1-CD1 3.98Å; I599-I601 HydrophobicContact CD1-CG1 4.36Å; I599-I601 HydrophobicContact CG1-CD1 4.15Å; I599-I601 HydrophobicContact CG1-CG1 4.24Å; I599-I601 PolarHBondContact O-N 2.03Å; I601-S603 VanDerWaalsContact C-N 3.33Å; I601-S603 PolarHBondContact O-N 3.34Å; I601-R604 PolarHBondContact N-O 2.05Å; I601-R604 VanDerWaalsContact N-O 3.11Å; I601-R604 PolarHBondContact O-N 3.32Å; I601-R604 VanDerWaalsContact O-O 3.07Å |
| 602 | N | 62.8 | Low | 64.2 | Low | 159 Ų | 159 | 76 Ų | 76 | 85% | 0.85 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 50.2 | 178.5 | -65.6 | -20.9 | 0 | 0 | 0 | 113.5 | R604 | N602-R604 PolarHBondContact O-N 3Š|
| 603 | S | 61 | Low | 63.8 | Low | 63 Ų | 63 | 73.5 Ų | 73.5 | 44% | 0.441 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 23 | -177 | -61.6 | 0 | 0 | 0 | 0 | 115.3 | Y587 C588 I601 | Y587-S603 VanDerWaalsContact CA-O 3.31Å; Y587-S603 WeakPolarHBondContact CA-O 3.33Å; C588-S603 PolarHBondContact N-O 3.48Å; C588-S603 WeakPolarHBondContact O-CA 3.49Å; C588-S603 WeakPolarHBondContact O-CB 3.36Å; C588-S603 PolarHBondContact O-OG 2.96Å; I601-S603 VanDerWaalsContact C-N 3.33Å; I601-S603 PolarHBondContact O-N 3.34Å |
| 604 | R | 65.2 | Low | 63.1 | Low | 129 Ų | 129 | 70.2 Ų | 70.2 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126.4 | 173.4 | -162.7 | 179.4 | -166.4 | -91.9 | 0.2 | 111.5 | P586 C588 I601 N602 S606 | P586-R604 HydrophobicContact CB-CG 4.13Å; P586-R604 CarbonylContact O-C 3.43Å; P586-R604 VanDerWaalsContact O-CA 3.29Å; P586-R604 WeakPolarHBondContact O-CA 3.31Å; P586-R604 WeakPolarHBondContact O-CG 3.47Å; C588-R604 VanDerWaalsContact SG-C 3.57Å; C588-R604 PolarHBondContact SG-N 3.44Å; C588-R604 VanDerWaalsContact SG-N 3.39Å; I601-R604 PolarHBondContact N-O 2.05Å; I601-R604 VanDerWaalsContact N-O 3.11Å; I601-R604 PolarHBondContact O-N 3.32Å; I601-R604 VanDerWaalsContact O-O 3.07Å; N602-R604 PolarHBondContact O-N 3Å; R604-S606 PolarHBondContact O-N 2.91Å; R604-S606 VanDerWaalsContact O-N 3.17Å; R604-S606 PolarHBondContact O-OG 3.39Å |
| 605 | C | 69.9 | Low | 62.4 | Low | 21 Ų | 21 | 76.6 Ų | 76.6 | 14% | 0.142 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 119.6 | 173.2 | -64 | 0 | 0 | 0 | 0 | 109.6 | P586 C594 | P586-C605 PolarHBondContact O-N 2.94Å; C594-C605 WeakPolarHBondContact CA-SG 3.34Å; C594-C605 HydrophobicContact CB-CB 3.89Å; C594-C605 WeakPolarHBondContact CB-SG 3.49Å; C594-C605 WeakPolarHBondContact SG-CA 3.01Å; C594-C605 WeakPolarHBondContact SG-CB 3.15Å; C594-C605 CovalentContact SG-SG 2.05Å; C594-C605 PolarHBondContact SG-SG 3.15Å |
| 606 | S | 71.6 | Confident | 61.8 | Low | 27 Ų | 27 | 73.7 Ų | 73.7 | 19% | 0.189 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.7 | -165.7 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | S598 I599 R604 | S598-S606 WeakPolarHBondContact CA-O 3.48Å; I599-S606 WeakPolarHBondContact CG1-O 3.24Å; I599-S606 PolarHBondContact N-O 3.5Å; I599-S606 PolarHBondContact O-N 3.25Å; R604-S606 PolarHBondContact O-N 2.91Å; R604-S606 VanDerWaalsContact O-N 3.17Å; R604-S606 PolarHBondContact O-OG 3.39Å |
| 607 | C | 71.7 | Confident | 61.6 | Low | 30 Ų | 30 | 80.9 Ų | 80.9 | 20% | 0.203 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 143.2 | -178.7 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | T611 C618 | C607-T611 WeakPolarHBondContact CB-OG1 3.49Å; C607-C618 WeakPolarHBondContact CA-SG 3.42Å; C607-C618 HydrophobicContact CB-CB 3.67Å; C607-C618 WeakPolarHBondContact CB-SG 3.48Å; C607-C618 WeakPolarHBondContact SG-CA 3.44Å; C607-C618 WeakPolarHBondContact SG-CB 3.35Å; C607-C618 CovalentContact SG-SG 2.04Å; C607-C618 PolarHBondContact SG-SG 3.26Å |
| 608 | P | 65.1 | Low | 61.2 | Low | 69 Ų | 69 | 73.9 Ų | 73.9 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -66 | 147 | 176.6 | 27.4 | -34.1 | 0 | 0 | 0 | 111.8 | G610 T611 | P608-G610 PolarHBondContact O-N 3.22Å; P608-T611 PolarHBondContact O-N 2.98Å; P608-T611 PolarHBondContact O-OG1 2.71Å |
| 609 | A | 56 | Low | 60.4 | Low | 111 Ų | 111 | 74.9 Ų | 74.9 | 92% | 0.917 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 135 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 610 | G | 50 | Low | 58.9 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 76% | 0.763 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.9 | -15.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P608 | P608-G610 PolarHBondContact O-N 3.22Š|
| 611 | T | 66.7 | Low | 57 | Low | 46 Ų | 46 | 78 Ų | 78 | 28% | 0.282 | 47% | 0.47 | S | S | . | . | trans | -114.4 | 160.8 | 166.2 | 62.9 | 0 | 0 | 0 | 0 | 111.5 | C607 P608 | C607-T611 WeakPolarHBondContact CB-OG1 3.49Å; P608-T611 PolarHBondContact O-N 2.98Å; P608-T611 PolarHBondContact O-OG1 2.71Å | ||
| 612 | T | 53.7 | Low | 55.1 | Low | 60 Ų | 60 | 79.8 Ų | 79.8 | 37% | 0.368 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 176.2 | 176.4 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | C618 A619 A621 | T612-C618 CarbonylContact O-C 3.57Å; T612-C618 WeakPolarHBondContact O-CA 3.34Å; T612-A619 CarbonylContact C-O 3.46Å; T612-A619 WeakPolarHBondContact CA-O 3.44Å; T612-A619 PolarHBondContact N-O 3.21Å; T612-A619 PolarHBondContact O-N 2.75Å; T612-A619 PolarHBondContact OG1-O 2.8Å; T612-A621 HydrophobicContact CG2-CB 3.83Å; T612-A621 VanDerWaalsContact OG1-CA 3.26Å; T612-A621 WeakPolarHBondContact OG1-CA 3.35Å; T612-A621 PolarHBondContact OG1-N 3.3Å |
| 613 | L | 57.2 | Low | 53.3 | Low | 94 Ų | 94 | 78.5 Ų | 78.5 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.3 | 176.2 | -164.1 | 72 | 0 | 0 | 0 | 109.5 | ||
| 614 | S | 43.5 | Very low | 51.5 | Low | 43 Ų | 43 | 82.2 Ų | 82.2 | 30% | 0.301 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 116.1 | 172.2 | -174 | 0 | 0 | 0 | 0 | 109.5 | D616 R617 | S614-D616 VanDerWaalsContact C-N 3.31Å; S614-D616 PolarHBondContact O-N 3.03Å; S614-R617 PolarHBondContact N-O 2.6Å |
| 615 | N | 44.6 | Very low | 49.4 | Very low | 152 Ų | 152 | 81.4 Ų | 81.4 | 81% | 0.813 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.6 | 55 | -173.3 | -59.4 | -21.7 | 0 | 0 | 0 | 112.6 | R617 | N615-R617 PolarHBondContact O-N 3.35Š|
| 616 | D | 48.8 | Very low | 47.3 | Very low | 59 Ų | 59 | 88.7 Ų | 88.7 | 32% | 0.316 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 30.3 | 166.4 | -59.4 | -82.5 | 0 | 0 | 0 | 115.5 | E584 S614 | E584-D616 WeakPolarHBondContact CB-OD1 3.44Å; E584-D616 HydrophobicContact CG-CB 4Å; E584-D616 WeakPolarHBondContact CG-OD1 3.35Å; S614-D616 VanDerWaalsContact C-N 3.31Å; S614-D616 PolarHBondContact O-N 3.03Å |
| 617 | R | 52.8 | Low | 44.9 | Very low | 179 Ų | 179 | 95.6 Ų | 95.6 | 68% | 0.675 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.3 | 155.7 | -64.2 | -172.3 | 172.8 | -158.9 | -4.1 | 109.9 | S614 N615 A619 | S614-R617 PolarHBondContact N-O 2.6Å; N615-R617 PolarHBondContact O-N 3.35Å; R617-A619 PolarHBondContact O-N 3.06Å |
| 618 | C | 54.9 | Low | 42.4 | Very low | 30 Ų | 30 | 100.6 Ų | 100.6 | 20% | 0.203 | 58% | 0.583 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.6 | 116 | 171.8 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | C607 T612 | C607-C618 WeakPolarHBondContact CA-SG 3.42Å; C607-C618 HydrophobicContact CB-CB 3.67Å; C607-C618 WeakPolarHBondContact CB-SG 3.48Å; C607-C618 WeakPolarHBondContact SG-CA 3.44Å; C607-C618 WeakPolarHBondContact SG-CB 3.35Å; C607-C618 CovalentContact SG-SG 2.04Å; C607-C618 PolarHBondContact SG-SG 3.26Å; T612-C618 CarbonylContact O-C 3.57Å; T612-C618 WeakPolarHBondContact O-CA 3.34Å |
| 619 | A | 53 | Low | 40.2 | Very low | 32 Ų | 32 | 102.3 Ų | 102.3 | 26% | 0.264 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -142.3 | 148.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T612 R617 | T612-A619 CarbonylContact C-O 3.46Å; T612-A619 WeakPolarHBondContact CA-O 3.44Å; T612-A619 PolarHBondContact N-O 3.21Å; T612-A619 PolarHBondContact O-N 2.75Å; T612-A619 PolarHBondContact OG1-O 2.8Å; R617-A619 PolarHBondContact O-N 3.06Å |
| 620 | P | 43.3 | Very low | 38.5 | Very low | 100 Ų | 100 | 103 Ų | 103 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -55 | 153.5 | 175.8 | -26.8 | 36.3 | 0 | 0 | 0 | 113.9 | ||
| 621 | A | 34.8 | Very low | 37.1 | Very low | 77 Ų | 77 | 110.8 Ų | 110.8 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 142.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115 | T612 | T612-A621 HydrophobicContact CG2-CB 3.83Å; T612-A621 VanDerWaalsContact OG1-CA 3.26Å; T612-A621 WeakPolarHBondContact OG1-CA 3.35Å; T612-A621 PolarHBondContact OG1-N 3.3Å |
| 622 | D | 30.4 | Very low | 35.1 | Very low | 121 Ų | 121 | 113.9 Ų | 113.9 | 65% | 0.647 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 159 | -178.7 | -135.6 | -26 | 0 | 0 | 0 | 113.2 | ||
| 623 | L | 25.4 | Very low | 33.5 | Very low | 132 Ų | 132 | 118.6 Ų | 118.6 | 69% | 0.691 | 64% | 0.639 | S | S | * | * | trans | 21.2 | 120.6 | 155.5 | -104.3 | 73.1 | 0 | 0 | 0 | 120.4 | ||||
| 624 | N | 22.4 | Very low | 31.9 | Very low | 140 Ų | 140 | 118.7 Ų | 118.7 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | 168.5 | 168.7 | 94.7 | -97.6 | -48.9 | 0 | 0 | 0 | 118.3 | |||||
| 625 | V | 22.5 | Very low | 31 | Very low | 113 Ų | 113 | 121 Ų | 121 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | trans | 81.8 | 129.8 | 159.9 | -141.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 626 | F | 26 | Very low | 30.3 | Very low | 173 Ų | 173 | 125.2 Ų | 125.2 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | trans | 78.8 | 96.6 | 164.3 | -72 | -56.5 | 0 | 0 | 0 | 122.3 | ||||
| 627 | K | 20.7 | Very low | 29.7 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | 74.7 | 108.9 | 126.8 | -82.2 | 173.8 | -177.7 | 175.9 | 0 | 121.8 | |||||
| 628 | T | 19.5 | Very low | 29.9 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | 74.1 | 118.1 | 129.6 | 54.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 629 | S | 19 | Very low | 30.1 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | trans | 110.7 | 111.2 | 141.7 | -149.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 630 | T | 20.1 | Very low | 30.9 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | 61.9 | 87.2 | 142.4 | 50.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 631 | R | 19.3 | Very low | 32.1 | Very low | 238 Ų | 238 | 128 Ų | 128 | 90% | 0.898 | 70% | 0.703 | S | S | * | * | 28 | 155.9 | 116.3 | -72.6 | -176.8 | 172.9 | -171.2 | -2.4 | 121 | |||||
| 632 | P | 24.7 | Very low | 33.3 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 70% | 0.699 | S | S | * | * | cis | -139.1 | 156.7 | 10.3 | 32.2 | -9.8 | 0 | 0 | 0 | 119.8 | ||||
| 633 | L | 20.7 | Very low | 34.8 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | trans | 34.9 | 125.7 | 147.2 | -70.3 | 83.3 | 0 | 0 | 0 | 123.3 | ||||
| 634 | A | 23.4 | Very low | 36.8 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | 163.3 | 141.5 | 103.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 635 | A | 25.4 | Very low | 38.7 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 76% | 0.76 | 68% | 0.676 | S | S | * | * | trans | 68.2 | 104.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 636 | R | 28.4 | Very low | 40.9 | Very low | 240 Ų | 240 | 123.2 Ų | 123.2 | 91% | 0.906 | 65% | 0.649 | S | S | * | * | trans | 15.2 | 149.1 | 147.6 | -80.4 | -179.6 | 169.6 | 161.1 | -3.7 | 124.9 | ||||
| 637 | D | 37.1 | Very low | 42.3 | Very low | 107 Ų | 107 | 118 Ų | 118 | 57% | 0.572 | 63% | 0.634 | S | S | * | * | trans | -108.5 | 167.3 | 169.8 | -65.8 | -81.2 | 0 | 0 | 0 | 113.8 | R665 | D637-R665 IonicContact OD1-CZ 2.83Å; D637-R665 IonicContact OD1-NH1 3.79Å; D637-R665 PolarHBondContact OD1-NH1 3.01Å; D637-R665 IonicContact OD1-NH2 2.66Å; D637-R665 PolarHBondContact OD1-NH2 3.39Å | ||
| 638 | I | 57.9 | Low | 43.5 | Very low | 118 Ų | 118 | 117.9 Ų | 117.9 | 61% | 0.605 | 64% | 0.636 | S | S | * | * | trans | -130.3 | 139 | 178 | -61.2 | 176.8 | 0 | 0 | 0 | 110.6 | C657 | I638-C657 PolarHBondContact O-N 3.16Å; I638-C657 PolarHBondContact O-SG 3.39Å | ||
| 639 | A | 58.9 | Low | 45.3 | Very low | 76 Ų | 76 | 114 Ų | 114 | 63% | 0.628 | 62% | 0.623 | S | S | * | * | B | Isolated β-bridge | trans | -95.2 | 149.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G655 | A639-G655 CarbonylContact C-O 3.45Å; A639-G655 WeakPolarHBondContact CA-O 3.3Å; A639-G655 VanDerWaalsContact CB-O 3.28Å; A639-G655 WeakPolarHBondContact CB-O 3.45Å |
| 640 | C | 68.3 | Low | 47.6 | Very low | 4 Ų | 4 | 109.7 Ų | 109.7 | 3% | 0.027 | 59% | 0.592 | C | S | . | * | trans | -139.2 | 154.8 | 175.5 | 43.4 | 0 | 0 | 0 | 0 | 111.4 | D645 C646 C652 G655 C657 | C640-D645 VanDerWaalsContact CB-C 3.49Å; C640-D645 HydrophobicContact CB-CB 3.64Å; C640-C646 HydrophobicContact CB-CB 4.05Å; C640-C646 WeakPolarHBondContact CB-SG 3.21Å; C640-C646 WeakPolarHBondContact SG-CB 3.48Å; C640-C646 CovalentContact SG-SG 2.05Å; C640-C646 PolarHBondContact SG-SG 3.4Å; C640-C652 VanDerWaalsContact C-SG 3.55Å; C640-C652 PolarHBondContact O-SG 3.24Å; C640-G655 PolarHBondContact N-O 2.85Å; C640-G655 CarbonylContact O-C 3.41Å; C640-G655 VanDerWaalsContact O-C 3.22Å; C640-G655 WeakPolarHBondContact O-CA 3.24Å; C640-C657 PolarHBondContact SG-N 2.9Å; C640-C657 PolarHBondContact SG-SG 3.18Å | ||
| 641 | I | 68.9 | Low | 49.4 | Very low | 154 Ų | 154 | 107.9 Ų | 107.9 | 79% | 0.79 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -111.2 | -29.5 | -177.8 | -62.1 | 175.3 | 0 | 0 | 0 | 110.8 | D645 | I641-D645 WeakPolarHBondContact CA-OD2 3.45Å; I641-D645 PolarHBondContact N-OD2 2.81Å |
| 642 | R | 61.2 | Low | 52.1 | Low | 145 Ų | 145 | 97.8 Ų | 97.8 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -128.4 | 159.7 | 170.2 | -58.9 | 162.2 | -61.2 | -178.5 | 8.2 | 108.2 | Q644 D645 C652 | R642-Q644 PolarHBondContact O-N 3.03Å; R642-D645 IonicContact CZ-OD1 2.71Å; R642-D645 PolarHBondContact N-OD2 3.21Å; R642-D645 IonicContact NE-OD1 2.81Å; R642-D645 IonicContact NE-OD2 2.65Å; R642-D645 IonicContact NH2-OD1 3.68Å; R642-D645 PolarHBondContact NH2-OD1 2.95Å; R642-D645 PolarHBondContact O-N 3.41Å; R642-C652 VanDerWaalsContact C-CB 3.42Å |
| 643 | D | 61.6 | Low | 54.1 | Low | 97 Ų | 97 | 94.9 Ų | 94.9 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -53.5 | -27.4 | 177.3 | -66.3 | -53.2 | 0 | 0 | 0 | 113.7 | D645 C646 M651 C652 | D643-D645 VanDerWaalsContact C-N 3.28Å; D643-D645 PolarHBondContact O-N 3.42Å; D643-C646 PolarHBondContact O-N 2.87Å; D643-M651 WeakPolarHBondContact OD1-CB 3.47Å; D643-C652 WeakPolarHBondContact OD1-CB 3.42Å; D643-C652 PolarHBondContact OD1-N 3.33Å |
| 644 | Q | 66.3 | Low | 55.7 | Low | 160 Ų | 160 | 96.2 Ų | 96.2 | 75% | 0.748 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -65.4 | -26.5 | 177.8 | -54.9 | -178.7 | 29.3 | 0 | 0 | 113.8 | R642 C646 | R642-Q644 PolarHBondContact O-N 3.03Å; Q644-C646 VanDerWaalsContact C-N 3.29Å |
| 645 | D | 63.7 | Low | 57.7 | Low | 63 Ų | 63 | 93.2 Ų | 93.2 | 34% | 0.337 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -87.7 | -1.3 | -178.4 | -24 | -58.6 | 0 | 0 | 0 | 111.5 | C640 I641 R642 D643 | C640-D645 VanDerWaalsContact CB-C 3.49Å; C640-D645 HydrophobicContact CB-CB 3.64Å; I641-D645 WeakPolarHBondContact CA-OD2 3.45Å; I641-D645 PolarHBondContact N-OD2 2.81Å; R642-D645 IonicContact CZ-OD1 2.71Å; R642-D645 PolarHBondContact N-OD2 3.21Å; R642-D645 IonicContact NE-OD1 2.81Å; R642-D645 IonicContact NE-OD2 2.65Å; R642-D645 IonicContact NH2-OD1 3.68Å; R642-D645 PolarHBondContact NH2-OD1 2.95Å; R642-D645 PolarHBondContact O-N 3.41Å; D643-D645 VanDerWaalsContact C-N 3.28Å; D643-D645 PolarHBondContact O-N 3.42Å |
| 646 | C | 66.9 | Low | 60 | Low | 17 Ų | 17 | 91.5 Ų | 91.5 | 12% | 0.115 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -105.4 | 147.9 | 174.8 | -24.1 | 0 | 0 | 0 | 0 | 111.3 | C640 D643 Q644 T650 C652 C657 | C640-C646 HydrophobicContact CB-CB 4.05Å; C640-C646 WeakPolarHBondContact CB-SG 3.21Å; C640-C646 WeakPolarHBondContact SG-CB 3.48Å; C640-C646 CovalentContact SG-SG 2.05Å; C640-C646 PolarHBondContact SG-SG 3.4Å; D643-C646 PolarHBondContact O-N 2.87Å; Q644-C646 VanDerWaalsContact C-N 3.29Å; C646-T650 WeakPolarHBondContact CB-OG1 3.28Å; C646-C652 WeakPolarHBondContact SG-CA 3.44Å; C646-C652 WeakPolarHBondContact SG-CB 3.48Å; C646-C652 PolarHBondContact SG-N 3.29Å; C646-C652 VanDerWaalsContact SG-N 3.43Å; C646-C657 HydrophobicContact CB-CB 3.97Å; C646-C657 VanDerWaalsContact CB-SG 3.6Å |
| 647 | S | 55.5 | Low | 61.9 | Low | 64 Ų | 64 | 80.6 Ų | 80.6 | 45% | 0.448 | 44% | 0.443 | S | S | . | . | trans | -95.9 | 149.8 | -172.3 | 56.4 | 0 | 0 | 0 | 0 | 115.6 | G649 T650 | S647-G649 PolarHBondContact O-N 2.75Å; S647-T650 PolarHBondContact N-OG1 3.41Å; S647-T650 VanDerWaalsContact N-OG1 3.13Å; S647-T650 WeakPolarHBondContact O-CB 3.34Å; S647-T650 PolarHBondContact O-N 3.02Å; S647-T650 PolarHBondContact O-OG1 3Å | ||
| 648 | E | 46.8 | Very low | 63.7 | Low | 171 Ų | 171 | 79.8 Ų | 79.8 | 80% | 0.799 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 11.4 | 87.1 | 174.1 | -64.6 | -160.3 | 174.3 | 0 | 0 | 117.4 | T650 | E648-T650 VanDerWaalsContact C-N 3.31Å; E648-T650 PolarHBondContact O-N 2.85Å |
| 649 | G | 57.2 | Low | 64.4 | Low | 53 Ų | 53 | 75.8 Ų | 75.8 | 55% | 0.546 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 0.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S647 P660 C671 | S647-G649 PolarHBondContact O-N 2.75Å; G649-P660 WeakPolarHBondContact O-CD 3.31Å; G649-C671 PolarHBondContact O-SG 2.96Å; G649-C671 VanDerWaalsContact O-SG 3.33Å |
| 650 | T | 67.7 | Low | 64.5 | Low | 14 Ų | 14 | 74.4 Ų | 74.4 | 9% | 0.086 | 40% | 0.402 | C | S | . | . | trans | -78.6 | 158.3 | 154.2 | 60.7 | 0 | 0 | 0 | 0 | 110.6 | C646 S647 E648 C657 Q658 C671 | C646-T650 WeakPolarHBondContact CB-OG1 3.28Å; S647-T650 PolarHBondContact N-OG1 3.41Å; S647-T650 VanDerWaalsContact N-OG1 3.13Å; S647-T650 WeakPolarHBondContact O-CB 3.34Å; S647-T650 PolarHBondContact O-N 3.02Å; S647-T650 PolarHBondContact O-OG1 3Å; E648-T650 VanDerWaalsContact C-N 3.31Å; E648-T650 PolarHBondContact O-N 2.85Å; T650-C657 HydrophobicContact CG2-CB 3.93Å; T650-Q658 CarbonylContact C-O 3.59Å; T650-Q658 WeakPolarHBondContact CA-O 3.45Å; T650-C671 WeakPolarHBondContact CG2-SG 3.13Å | ||
| 651 | M | 58.3 | Low | 63.6 | Low | 88 Ų | 88 | 80.3 Ų | 80.3 | 43% | 0.433 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 159 | 171.6 | 55.8 | 179.5 | -63.8 | 0 | 0 | 110.2 | D643 V653 Q658 P660 | D643-M651 WeakPolarHBondContact OD1-CB 3.47Å; M651-V653 VanDerWaalsContact C-N 3.29Å; M651-V653 HydrophobicContact CE-CG2 4.27Å; M651-V653 HydrophobicContact CG-CG2 3.95Å; M651-V653 PolarHBondContact O-N 3.15Å; M651-V653 HydrophobicContact SD-CG2 4.45Å; M651-Q658 PolarHBondContact N-O 2.96Å; M651-Q658 PolarHBondContact O-N 2.88Å; M651-P660 HydrophobicContact SD-CG 4.13Å |
| 652 | C | 74.5 | Confident | 62.1 | Low | 26 Ų | 26 | 76.2 Ų | 76.2 | 18% | 0.176 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 66.5 | -171.7 | -175.1 | 0 | 0 | 0 | 0 | 112 | C640 R642 D643 C646 Q654 | C640-C652 VanDerWaalsContact C-SG 3.55Å; C640-C652 PolarHBondContact O-SG 3.24Å; R642-C652 VanDerWaalsContact C-CB 3.42Å; D643-C652 WeakPolarHBondContact OD1-CB 3.42Å; D643-C652 PolarHBondContact OD1-N 3.33Å; C646-C652 WeakPolarHBondContact SG-CA 3.44Å; C646-C652 WeakPolarHBondContact SG-CB 3.48Å; C646-C652 PolarHBondContact SG-N 3.29Å; C646-C652 VanDerWaalsContact SG-N 3.43Å; C652-Q654 PolarHBondContact O-N 2.93Å; C652-Q654 VanDerWaalsContact O-N 3.12Å |
| 653 | V | 66.5 | Low | 62 | Low | 48 Ų | 48 | 74 Ų | 74 | 29% | 0.291 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 102.6 | 174.2 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | M651 G655 V656 Q658 | M651-V653 VanDerWaalsContact C-N 3.29Å; M651-V653 HydrophobicContact CE-CG2 4.27Å; M651-V653 HydrophobicContact CG-CG2 3.95Å; M651-V653 PolarHBondContact O-N 3.15Å; M651-V653 HydrophobicContact SD-CG2 4.45Å; V653-G655 PolarHBondContact O-N 2.98Å; V653-V656 PolarHBondContact N-O 3.29Å; V653-V656 PolarHBondContact O-N 3.32Å; V653-Q658 HydrophobicContact CB-CB 4.11Å; V653-Q658 HydrophobicContact CB-CG 4.15Å; V653-Q658 HydrophobicContact CG2-CB 4.03Å |
| 654 | Q | 54.7 | Low | 61.5 | Low | 188 Ų | 188 | 78 Ų | 78 | 88% | 0.879 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 49.2 | 169.5 | -59.8 | -179.9 | -47.8 | 0 | 0 | 114 | C652 | C652-Q654 PolarHBondContact O-N 2.93Å; C652-Q654 VanDerWaalsContact O-N 3.12Å |
| 655 | G | 66.6 | Low | 61 | Low | 32 Ų | 32 | 74.7 Ų | 74.7 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -4.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115.7 | A639 C640 V653 | A639-G655 CarbonylContact C-O 3.45Å; A639-G655 WeakPolarHBondContact CA-O 3.3Å; A639-G655 VanDerWaalsContact CB-O 3.28Å; A639-G655 WeakPolarHBondContact CB-O 3.45Å; C640-G655 PolarHBondContact N-O 2.85Å; C640-G655 CarbonylContact O-C 3.41Å; C640-G655 VanDerWaalsContact O-C 3.22Å; C640-G655 WeakPolarHBondContact O-CA 3.24Å; V653-G655 PolarHBondContact O-N 2.98Å |
| 656 | V | 73.1 | Confident | 60.4 | Low | 57 Ų | 57 | 75 Ų | 75 | 35% | 0.345 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 144.5 | -171.5 | -173 | 0 | 0 | 0 | 0 | 112.1 | V653 Q658 | V653-V656 PolarHBondContact N-O 3.29Å; V653-V656 PolarHBondContact O-N 3.32Å; V656-Q658 PolarHBondContact O-N 3.48Å; V656-Q658 VanDerWaalsContact O-N 3.1Å |
| 657 | C | 69.2 | Low | 59.4 | Low | 11 Ų | 11 | 81.4 Ų | 81.4 | 7% | 0.074 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 101.6 | 176.5 | -50 | 0 | 0 | 0 | 0 | 111.1 | I638 C640 C646 T650 | I638-C657 PolarHBondContact O-N 3.16Å; I638-C657 PolarHBondContact O-SG 3.39Å; C640-C657 PolarHBondContact SG-N 2.9Å; C640-C657 PolarHBondContact SG-SG 3.18Å; C646-C657 HydrophobicContact CB-CB 3.97Å; C646-C657 VanDerWaalsContact CB-SG 3.6Å; T650-C657 HydrophobicContact CG2-CB 3.93Å |
| 658 | Q | 74.7 | Confident | 58.8 | Low | 90 Ų | 90 | 83.8 Ų | 83.8 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 149.9 | -177.9 | -64 | -164.7 | 28 | 0 | 0 | 113.9 | T650 M651 V653 V656 | T650-Q658 CarbonylContact C-O 3.59Å; T650-Q658 WeakPolarHBondContact CA-O 3.45Å; M651-Q658 PolarHBondContact N-O 2.96Å; M651-Q658 PolarHBondContact O-N 2.88Å; V653-Q658 HydrophobicContact CB-CB 4.11Å; V653-Q658 HydrophobicContact CB-CG 4.15Å; V653-Q658 HydrophobicContact CG2-CB 4.03Å; V656-Q658 PolarHBondContact O-N 3.48Å; V656-Q658 VanDerWaalsContact O-N 3.1Å |
| 659 | C | 71.2 | Confident | 59 | Low | 33 Ų | 33 | 76.5 Ų | 76.5 | 22% | 0.223 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -90 | 137.7 | 177.7 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | F663 C671 | C659-F663 HydrophobicContact CB-CB 4.22Å; C659-C671 WeakPolarHBondContact CA-SG 3.39Å; C659-C671 HydrophobicContact CB-CB 3.8Å; C659-C671 WeakPolarHBondContact CB-SG 3.32Å; C659-C671 VanDerWaalsContact SG-CA 3.5Å; C659-C671 WeakPolarHBondContact SG-CB 3.17Å; C659-C671 CovalentContact SG-SG 2.03Å; C659-C671 PolarHBondContact SG-SG 3.17Å |
| 660 | P | 61.2 | Low | 58.7 | Low | 48 Ų | 48 | 75.7 Ų | 75.7 | 31% | 0.312 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 153 | 169 | -25.3 | 35 | 0 | 0 | 0 | 113.2 | G649 M651 F663 | G649-P660 WeakPolarHBondContact O-CD 3.31Å; M651-P660 HydrophobicContact SD-CG 4.13Å; P660-F663 WeakPolarHBondContact O-CB 3.29Å; P660-F663 PolarHBondContact O-N 3.5Å; P660-F663 VanDerWaalsContact O-N 3.11Å |
| 661 | P | 49 | Very low | 57.9 | Low | 127 Ų | 127 | 76 Ų | 76 | 83% | 0.825 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 147.5 | 177.5 | -29.4 | 36.4 | 0 | 0 | 0 | 114.3 | F663 | P661-F663 PolarHBondContact O-N 2.83Š|
| 662 | A | 38.7 | Very low | 57.8 | Low | 69 Ų | 69 | 79 Ų | 79 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | R673 | A662-R673 VanDerWaalsContact O-CG 3.24Å; A662-R673 WeakPolarHBondContact O-CG 3.49Å |
| 663 | F | 58.7 | Low | 56.2 | Low | 97 Ų | 97 | 86.1 Ų | 86.1 | 43% | 0.425 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139.8 | 163.4 | -68.3 | -109.6 | 0 | 0 | 0 | 110 | C659 P660 P661 C671 R673 | C659-F663 HydrophobicContact CB-CB 4.22Å; P660-F663 WeakPolarHBondContact O-CB 3.29Å; P660-F663 PolarHBondContact O-N 3.5Å; P660-F663 VanDerWaalsContact O-N 3.11Å; P661-F663 PolarHBondContact O-N 2.83Å; F663-C671 HydrophobicContact CB-CB 4.24Å; F663-R673 HydrophobicContact CE1-CG 4.49Å; F663-R673 HydrophobicContact CZ-CG 4.46Å |
| 664 | R | 50.2 | Low | 54.4 | Low | 181 Ų | 181 | 88.8 Ų | 88.8 | 68% | 0.683 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140.6 | 174.4 | -179.6 | 172.8 | 177.3 | 152.8 | 3.1 | 109 | R672 | R664-R672 PolarHBondContact N-O 2.82Å; R664-R672 PolarHBondContact O-N 2.79Å |
| 665 | R | 56.9 | Low | 52.9 | Low | 92 Ų | 92 | 86 Ų | 86 | 35% | 0.347 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 134.6 | 175.8 | -144.1 | 174.6 | 80.5 | -161.8 | 2.9 | 110.9 | D637 G669 S670 | D637-R665 IonicContact OD1-CZ 2.83Å; D637-R665 IonicContact OD1-NH1 3.79Å; D637-R665 PolarHBondContact OD1-NH1 3.01Å; D637-R665 IonicContact OD1-NH2 2.66Å; D637-R665 PolarHBondContact OD1-NH2 3.39Å; R665-G669 VanDerWaalsContact CD-O 3.28Å; R665-G669 WeakPolarHBondContact CD-O 3.48Å; R665-G669 WeakPolarHBondContact CG-O 3.49Å; R665-S670 CarbonylContact C-O 3.48Å; R665-S670 WeakPolarHBondContact CA-O 3.41Å |
| 666 | L | 50.2 | Low | 50.9 | Low | 69 Ų | 69 | 92.7 Ų | 92.7 | 36% | 0.361 | 48% | 0.481 | S | S | . | . | trans | -79.6 | 169.3 | 171.4 | -71.6 | 174.9 | 0 | 0 | 0 | 110.6 | D668 G669 S670 R672 | L666-D668 VanDerWaalsContact CB-OD1 3.28Å; L666-D668 WeakPolarHBondContact CB-OD1 3.45Å; L666-D668 PolarHBondContact O-N 3.41Å; L666-G669 PolarHBondContact O-N 2.93Å; L666-G669 VanDerWaalsContact O-N 3.09Å; L666-S670 PolarHBondContact N-O 3.45Å; L666-R672 HydrophobicContact CD1-CB 3.83Å; L666-R672 HydrophobicContact CD2-CB 4.31Å; L666-R672 HydrophobicContact CG-CB 3.91Å | ||
| 667 | V | 47.2 | Very low | 48.4 | Very low | 152 Ų | 152 | 93.6 Ų | 93.6 | 92% | 0.921 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -11.5 | -179.2 | -162.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 668 | D | 43 | Very low | 46.1 | Very low | 114 Ų | 114 | 99.7 Ų | 99.7 | 61% | 0.61 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -3.6 | 174.1 | 52.8 | 40.2 | 0 | 0 | 0 | 113.9 | L666 S670 | L666-D668 VanDerWaalsContact CB-OD1 3.28Å; L666-D668 WeakPolarHBondContact CB-OD1 3.45Å; L666-D668 PolarHBondContact O-N 3.41Å; D668-S670 WeakPolarHBondContact OD1-CB 3.42Å; D668-S670 PolarHBondContact OD1-N 3.49Å; D668-S670 PolarHBondContact OD1-OG 2.99Å |
| 669 | G | 50.3 | Low | 43.5 | Very low | 18 Ų | 18 | 105.3 Ų | 105.3 | 19% | 0.186 | 54% | 0.544 | C | S | . | . | S | Bend | trans | 97.2 | -12.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R665 L666 | R665-G669 VanDerWaalsContact CD-O 3.28Å; R665-G669 WeakPolarHBondContact CD-O 3.48Å; R665-G669 WeakPolarHBondContact CG-O 3.49Å; L666-G669 PolarHBondContact O-N 2.93Å; L666-G669 VanDerWaalsContact O-N 3.09Å |
| 670 | S | 50.5 | Low | 41.1 | Very low | 35 Ų | 35 | 111.6 Ų | 111.6 | 25% | 0.245 | 57% | 0.568 | C | S | . | * | trans | -77.3 | 155.4 | -176.6 | -33.4 | 0 | 0 | 0 | 0 | 112.9 | R665 L666 D668 | R665-S670 CarbonylContact C-O 3.48Å; R665-S670 WeakPolarHBondContact CA-O 3.41Å; L666-S670 PolarHBondContact N-O 3.45Å; D668-S670 WeakPolarHBondContact OD1-CB 3.42Å; D668-S670 PolarHBondContact OD1-N 3.49Å; D668-S670 PolarHBondContact OD1-OG 2.99Å | ||
| 671 | C | 50.2 | Low | 39.2 | Very low | 20 Ų | 20 | 118.4 Ų | 118.4 | 14% | 0.135 | 59% | 0.593 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.2 | 179.5 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | G649 T650 C659 F663 | G649-C671 PolarHBondContact O-SG 2.96Å; G649-C671 VanDerWaalsContact O-SG 3.33Å; T650-C671 WeakPolarHBondContact CG2-SG 3.13Å; C659-C671 WeakPolarHBondContact CA-SG 3.39Å; C659-C671 HydrophobicContact CB-CB 3.8Å; C659-C671 WeakPolarHBondContact CB-SG 3.32Å; C659-C671 VanDerWaalsContact SG-CA 3.5Å; C659-C671 WeakPolarHBondContact SG-CB 3.17Å; C659-C671 CovalentContact SG-SG 2.03Å; C659-C671 PolarHBondContact SG-SG 3.17Å; F663-C671 HydrophobicContact CB-CB 4.24Å |
| 672 | R | 57.8 | Low | 37.9 | Very low | 153 Ų | 153 | 116.8 Ų | 116.8 | 58% | 0.577 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -140.9 | 139.9 | 179.4 | -163.9 | 167.1 | -174.5 | 145.1 | 3.5 | 113.7 | R664 L666 | R664-R672 PolarHBondContact N-O 2.82Å; R664-R672 PolarHBondContact O-N 2.79Å; L666-R672 HydrophobicContact CD1-CB 3.83Å; L666-R672 HydrophobicContact CD2-CB 4.31Å; L666-R672 HydrophobicContact CG-CB 3.91Å |
| 673 | R | 39.9 | Very low | 37 | Very low | 174 Ų | 174 | 115.6 Ų | 115.6 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -54.5 | 140.8 | 173.4 | -109.3 | 179.7 | 175 | -175.6 | -1.1 | 112 | A662 F663 | A662-R673 VanDerWaalsContact O-CG 3.24Å; A662-R673 WeakPolarHBondContact O-CG 3.49Å; F663-R673 HydrophobicContact CE1-CG 4.49Å; F663-R673 HydrophobicContact CZ-CG 4.46Å |
| 674 | T | 28.4 | Very low | 35.3 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 64% | 0.644 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 135.6 | -179 | -31.7 | 0 | 0 | 0 | 0 | 112 | ||
| 675 | I | 24.8 | Very low | 33.8 | Very low | 129 Ų | 129 | 107.8 Ų | 107.8 | 66% | 0.662 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -103.7 | 119.1 | 175.2 | -62.7 | 173.5 | 0 | 0 | 0 | 109.1 | ||
| 676 | I | 22.9 | Very low | 31.9 | Very low | 172 Ų | 172 | 112.4 Ų | 112.4 | 88% | 0.882 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 128.8 | 148.6 | -71 | -178.9 | 0 | 0 | 0 | 106.7 | ||
| 677 | A | 22.4 | Very low | 30.4 | Very low | 77 Ų | 77 | 116.6 Ų | 116.6 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 127.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 678 | N | 20.5 | Very low | 29 | Very low | 139 Ų | 139 | 113.4 Ų | 113.4 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | trans | -144.7 | 113.8 | 134.8 | -110.2 | -37.3 | 0 | 0 | 0 | 112.6 | ||||
| 679 | R | 19.8 | Very low | 27.9 | Very low | 207 Ų | 207 | 114.7 Ų | 114.7 | 78% | 0.781 | 57% | 0.573 | S | S | * | * | trans | 26.3 | 138.4 | 133.1 | -56.5 | 174.7 | 179.6 | -166.1 | 1.1 | 118.9 | ||||
| 680 | K | 20.9 | Very low | 26.5 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | cis | -172 | 133.3 | -3.9 | -117.1 | 175.4 | -177.2 | -179.7 | 0 | 110.4 | ||||
| 681 | K | 20.2 | Very low | 25 | Very low | 191 Ų | 191 | 120.2 Ų | 120.2 | 83% | 0.83 | 60% | 0.598 | S | S | * | * | trans | 63.3 | 168.3 | 153.2 | -66.8 | -169.3 | 170.5 | -168.3 | 0 | 118.5 | ||||
| 682 | L | 22.3 | Very low | 23.7 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 48% | 0.482 | 62% | 0.618 | S | S | . | * | trans | 79 | 125.7 | 176.4 | -51.3 | 167.7 | 0 | 0 | 0 | 112.8 | Q721 | L682-Q721 HydrophobicContact CD2-CB 4.43Å; L682-Q721 HydrophobicContact CD2-CG 4.23Å | ||
| 683 | S | 20.8 | Very low | 21.9 | Very low | 45 Ų | 45 | 117.4 Ų | 117.4 | 32% | 0.315 | 60% | 0.597 | S | S | . | * | cis | 75.3 | 131.9 | 27.2 | 95.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 684 | P | 21.7 | Very low | 21 | Very low | 55 Ų | 55 | 111.2 Ų | 111.2 | 36% | 0.357 | 58% | 0.58 | S | S | . | * | cis | -153.6 | -155.9 | -10.7 | 32.3 | -5.7 | 0 | 0 | 0 | 115 | A722 G723 | P684-A722 WeakPolarHBondContact CD-O 3.24Å; P684-A722 WeakPolarHBondContact CG-O 3.23Å; P684-G723 WeakPolarHBondContact CB-O 3.47Å; P684-G723 VanDerWaalsContact CG-CA 3.43Å; P684-G723 WeakPolarHBondContact CG-O 3.46Å | ||
| 685 | S | 19.5 | Very low | 20.8 | Very low | 59 Ų | 59 | 106.9 Ų | 106.9 | 41% | 0.413 | 55% | 0.554 | S | S | . | * | trans | 72.9 | 116.8 | 130.4 | 66.1 | 0 | 0 | 0 | 0 | 119.5 | P725 | S685-P725 PolarHBondContact N-O 3.08Š| ||
| 686 | W | 17.5 | Very low | 20.7 | Very low | 189 Ų | 189 | 103.4 Ų | 103.4 | 72% | 0.716 | 54% | 0.536 | S | S | * | . | trans | 58.3 | 87 | 139.8 | -66.1 | 78.2 | 0 | 0 | 0 | 115.3 | ||||
| 687 | R | 18.1 | Very low | 20.7 | Very low | 156 Ų | 156 | 99.1 Ų | 99.1 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | 69 | 105.3 | 89.1 | -75.1 | -179 | -168.6 | -164.9 | 2.8 | 112.3 | V689 | R687-V689 PolarHBondContact O-N 2.88Š| |||
| 688 | S | 18.4 | Very low | 20.7 | Very low | 86 Ų | 86 | 101.8 Ų | 101.8 | 60% | 0.601 | 52% | 0.515 | S | S | * | . | 31.6 | 85.3 | 123.7 | 64 | 0 | 0 | 0 | 0 | 115.8 | L690 | S688-L690 WeakPolarHBondContact O-CB 3.35Š| |||
| 689 | V | 20.1 | Very low | 20.6 | Very low | 141 Ų | 141 | 99.6 Ų | 99.6 | 86% | 0.855 | 51% | 0.51 | S | S | * | . | -63.5 | 90.9 | 111.6 | 177.9 | 0 | 0 | 0 | 0 | 104.2 | R687 | R687-V689 PolarHBondContact O-N 2.88Š| |||
| 690 | L | 19.5 | Very low | 20.7 | Very low | 123 Ų | 123 | 95.5 Ų | 95.5 | 64% | 0.644 | 51% | 0.511 | S | S | * | . | 55.9 | 111.4 | 56.9 | -119.5 | 169 | 0 | 0 | 0 | 109 | S688 | S688-L690 WeakPolarHBondContact O-CB 3.35Š| |||
| 691 | S | 19.9 | Very low | 20.6 | Very low | 45 Ų | 45 | 94 Ų | 94 | 32% | 0.315 | 52% | 0.515 | S | S | . | . | trans | -51.9 | 146.6 | -164.6 | -38.1 | 0 | 0 | 0 | 0 | 112.1 | P1777 W1779 S1780 | S691-P1777 WeakPolarHBondContact O-CG 3.5Å; S691-W1779 PolarHBondContact OG-O 3.35Å; S691-S1780 WeakPolarHBondContact OG-CA 3.42Å | ||
| 692 | P | 22.2 | Very low | 20.7 | Very low | 85 Ų | 85 | 90.2 Ų | 90.2 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | -132 | 129.8 | 103.8 | 36.2 | -28.4 | 0 | 0 | 0 | 113 | P1777 | P692-P1777 HydrophobicContact CB-CB 3.78Å; P692-P1777 HydrophobicContact CB-CG 4.33Å | |||
| 693 | M | 20.8 | Very low | 20.6 | Very low | 29 Ų | 29 | 92.8 Ų | 92.8 | 14% | 0.143 | 52% | 0.522 | C | S | . | . | B | Isolated β-bridge | -63.8 | 127.9 | 114.9 | -69 | -153.6 | -105.9 | 0 | 0 | 104.9 | P695 L1778 W1779 A1807 | M693-P695 WeakPolarHBondContact O-CD 2.99Å; M693-L1778 VanDerWaalsContact CB-C 3.49Å; M693-L1778 HydrophobicContact CB-CB 3.46Å; M693-L1778 VanDerWaalsContact CB-CB 3.46Å; M693-L1778 HydrophobicContact CB-CD2 3.66Å; M693-L1778 HydrophobicContact CB-CG 3.5Å; M693-L1778 VanDerWaalsContact CB-CG 3.5Å; M693-L1778 WeakPolarHBondContact CB-O 3.29Å; M693-L1778 HydrophobicContact CE-CD1 3.86Å; M693-L1778 HydrophobicContact CE-CD2 3.82Å; M693-L1778 HydrophobicContact CE-CG 3.43Å; M693-L1778 VanDerWaalsContact CE-CG 3.43Å; M693-L1778 HydrophobicContact CG-CB 4.37Å; M693-L1778 HydrophobicContact CG-CD2 4.13Å; M693-L1778 HydrophobicContact CG-CG 3.95Å; M693-L1778 PolarHBondContact N-O 3.13Å; M693-L1778 WeakPolarHBondContact O-CB 3.36Å; M693-L1778 PolarHBondContact O-N 3.48Å; M693-L1778 VanDerWaalsContact O-N 3.08Å; M693-L1778 HydrophobicContact SD-CD2 3.46Å; M693-L1778 WeakPolarHBondContact SD-CD2 3.27Å; M693-L1778 HydrophobicContact SD-CG 3.63Å; M693-W1779 HydrophobicContact CB-CB 4.37Å; M693-W1779 HydrophobicContact CB-CG 4.35Å; M693-W1779 HydrophobicContact CE-CB 4.43Å; M693-W1779 HydrophobicContact CE-CD2 3.18Å; M693-W1779 HydrophobicContact CE-CE3 3.38Å; M693-W1779 HydrophobicContact CE-CG 3.68Å; M693-W1779 HydrophobicContact CE-CH2 3.81Å; M693-W1779 HydrophobicContact CE-CZ2 3.64Å; M693-W1779 HydrophobicContact CE-CZ3 3.69Å; M693-W1779 HydrophobicContact CG-CB 3.82Å; M693-W1779 HydrophobicContact CG-CD2 3.88Å; M693-W1779 HydrophobicContact CG-CG 3.31Å; M693-W1779 HydrophobicContact SD-CD2 4.06Å; M693-W1779 HydrophobicContact SD-CG 4.15Å; M693-W1779 HydrophobicContact SD-CZ2 4.21Å; M693-A1807 HydrophobicContact SD-CB 4Å | |
| 694 | C | 20.9 | Very low | 21.1 | Very low | 45 Ų | 45 | 96.1 Ų | 96.1 | 30% | 0.304 | 54% | 0.543 | S | S | . | . | 43.4 | 66.6 | 94.2 | -58.5 | 0 | 0 | 0 | 0 | 121.2 | L1778 L1810 T1811 | C694-L1778 WeakPolarHBondContact O-CD2 3.09Å; C694-L1810 HydrophobicContact CB-CB 4.27Å; C694-L1810 HydrophobicContact CB-CD2 4.3Å; C694-T1811 PolarHBondContact O-N 3.24Å | |||
| 695 | P | 23.7 | Very low | 21 | Very low | 13 Ų | 13 | 98.7 Ų | 98.7 | 8% | 0.084 | 56% | 0.557 | C | S | . | * | trans | -130.4 | 138.1 | 140.8 | 46.4 | -37.6 | 0 | 0 | 0 | 115.2 | M693 L1778 A1789 N1790 T1792 | M693-P695 WeakPolarHBondContact O-CD 2.99Å; P695-L1778 HydrophobicContact CB-CB 4.26Å; P695-L1778 HydrophobicContact CG-CB 3.96Å; P695-A1789 HydrophobicContact CG-CB 4.01Å; P695-N1790 HydrophobicContact CB-CB 3.45Å; P695-N1790 VanDerWaalsContact CB-CB 3.45Å; P695-N1790 HydrophobicContact CG-CB 3.7Å; P695-N1790 PolarHBondContact O-ND2 3.23Å; P695-T1792 HydrophobicContact CB-CG2 3.54Å; P695-T1792 HydrophobicContact CG-CG2 4.09Å | ||
| 696 | N | 23.2 | Very low | 21.1 | Very low | 56 Ų | 56 | 101.9 Ų | 101.9 | 30% | 0.299 | 57% | 0.57 | S | S | . | * | S | Bend | trans | 83 | 102.9 | -174.8 | -83.2 | 25.1 | 0 | 0 | 0 | 124.3 | N1790 L1810 T1811 | N696-N1790 HydrophobicContact CB-CB 3.81Å; N696-N1790 WeakPolarHBondContact CB-ND2 3.27Å; N696-N1790 VanDerWaalsContact CG-CB 3.47Å; N696-N1790 VanDerWaalsContact CG-CG 3.46Å; N696-N1790 VanDerWaalsContact OD1-CB 3.26Å; N696-N1790 WeakPolarHBondContact OD1-CB 3.49Å; N696-L1810 CarbonylContact C-O 3.53Å; N696-L1810 WeakPolarHBondContact CA-O 3.42Å; N696-L1810 PolarHBondContact N-O 3.2Å; N696-L1810 WeakPolarHBondContact O-CD1 3.27Å; N696-T1811 VanDerWaalsContact N-CA 3.3Å |
| 697 | E | 23.2 | Very low | 21.3 | Very low | 83 Ų | 83 | 98.3 Ų | 98.3 | 39% | 0.388 | 56% | 0.564 | S | S | . | * | trans | 72.1 | 154.2 | 131.7 | -53.3 | -171.5 | 111.6 | 0 | 0 | 122 | L1810 T1811 R1813 | E697-L1810 PolarHBondContact N-O 3.47Å; E697-T1811 PolarHBondContact N-OG1 2.65Å; E697-R1813 IonicContact OE1-NH2 3.88Å; E697-R1813 PolarHBondContact OE1-NH2 3.21Å | ||
| 698 | I | 21 | Very low | 21.5 | Very low | 133 Ų | 133 | 96.6 Ų | 96.6 | 68% | 0.682 | 57% | 0.567 | S | S | * | * | trans | 68.4 | 135.3 | 160.4 | -63.7 | 148.3 | 0 | 0 | 0 | 114.9 | N1809 | I698-N1809 PolarHBondContact O-ND2 2.92Š| ||
| 699 | S | 19.8 | Very low | 21.5 | Very low | 92 Ų | 92 | 99.5 Ų | 99.5 | 64% | 0.643 | 57% | 0.566 | S | S | * | * | cis | -164.7 | 162.9 | -18.6 | -96.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 700 | P | 21.2 | Very low | 21.5 | Very low | 122 Ų | 122 | 96 Ų | 96 | 79% | 0.792 | 55% | 0.552 | S | S | * | * | trans | -77.1 | 139.1 | -179.2 | 31.3 | -35.6 | 0 | 0 | 0 | 113.7 | ||||
| 701 | V | 19.3 | Very low | 21.5 | Very low | 133 Ų | 133 | 96.9 Ų | 96.9 | 81% | 0.806 | 55% | 0.551 | S | S | * | * | trans | 175.9 | 106.8 | 151.2 | 144.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 702 | V | 20.9 | Very low | 21.6 | Very low | 112 Ų | 112 | 95.9 Ų | 95.9 | 68% | 0.679 | 54% | 0.544 | S | S | * | . | 91.2 | 103.3 | 63.9 | 167.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 703 | D | 21.5 | Very low | 21.6 | Very low | 146 Ų | 146 | 101.4 Ų | 101.4 | 78% | 0.781 | 56% | 0.56 | S | S | * | * | trans | 67.1 | 172.6 | 149.2 | -54.6 | -12.9 | 0 | 0 | 0 | 118.3 | ||||
| 704 | P | 29.7 | Very low | 21.7 | Very low | 116 Ų | 116 | 107.2 Ų | 107.2 | 75% | 0.753 | 58% | 0.58 | S | S | * | * | -135.5 | -162.9 | -98.8 | 36.5 | -13.6 | 0 | 0 | 0 | 112.8 | |||||
| 705 | V | 20.3 | Very low | 21.8 | Very low | 109 Ų | 109 | 110.8 Ų | 110.8 | 66% | 0.661 | 60% | 0.596 | S | S | * | * | trans | 158.6 | 136.8 | 135.5 | 156 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 706 | N | 21.1 | Very low | 22 | Very low | 126 Ų | 126 | 117 Ų | 117 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | trans | 43.7 | 119.8 | 157.2 | -76.2 | -1.9 | 0 | 0 | 0 | 123.8 | ||||
| 707 | N | 22.7 | Very low | 21.8 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 60% | 0.604 | 64% | 0.64 | S | S | * | * | 57 | 115.2 | 106.7 | -161.6 | 74.9 | 0 | 0 | 0 | 119.4 | |||||
| 708 | D | 22.1 | Very low | 21.7 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 65% | 0.647 | 66% | 0.663 | S | S | * | * | trans | -147.3 | 166.9 | 162.1 | -128.3 | -26 | 0 | 0 | 0 | 112.5 | T1025 | D708-T1025 PolarHBondContact OD1-N 2.81Š| ||
| 709 | Y | 19.3 | Very low | 21.7 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 57% | 0.573 | 66% | 0.66 | S | S | * | * | trans | -101.4 | -179.9 | -160.6 | -83.9 | -120.8 | 0 | 0 | 0 | 115.5 | V1023 | Y709-V1023 VanDerWaalsContact CD1-O 3.25Å; Y709-V1023 WeakPolarHBondContact CD1-O 3.36Å; Y709-V1023 WeakPolarHBondContact CD2-O 3.13Å; Y709-V1023 VanDerWaalsContact CE1-O 3.26Å; Y709-V1023 WeakPolarHBondContact CE1-O 3.42Å; Y709-V1023 WeakPolarHBondContact CE2-O 3.4Å | ||
| 710 | A | 19.5 | Very low | 21.9 | Very low | 69 Ų | 69 | 120.4 Ų | 120.4 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | trans | -73.7 | 164.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1022 | A710-P1022 WeakPolarHBondContact O-CA 3.5Å; A710-P1022 WeakPolarHBondContact O-CB 3.45Å | ||
| 711 | F | 19.5 | Very low | 21.9 | Very low | 140 Ų | 140 | 123 Ų | 123 | 61% | 0.614 | 65% | 0.652 | S | S | * | * | trans | -153.1 | 163.4 | 154.7 | -130.5 | -69.7 | 0 | 0 | 0 | 109.6 | L1021 P1022 | F711-L1021 HydrophobicContact CD1-CD2 4.43Å; F711-L1021 HydrophobicContact CE1-CD2 3.63Å; F711-L1021 HydrophobicContact CZ-CD2 3.82Å; F711-P1022 HydrophobicContact CB-CB 4.34Å; F711-P1022 HydrophobicContact CD1-CB 4.33Å; F711-P1022 HydrophobicContact CD2-CB 3.19Å; F711-P1022 HydrophobicContact CD2-CG 3.68Å; F711-P1022 HydrophobicContact CE1-CB 4.49Å; F711-P1022 HydrophobicContact CE1-CG 4.25Å; F711-P1022 HydrophobicContact CE2-CB 3.42Å; F711-P1022 VanDerWaalsContact CE2-CB 3.42Å; F711-P1022 HydrophobicContact CE2-CG 3.29Å; F711-P1022 HydrophobicContact CG-CB 3.7Å; F711-P1022 HydrophobicContact CG-CG 4.31Å; F711-P1022 HydrophobicContact CZ-CB 4.08Å; F711-P1022 HydrophobicContact CZ-CG 3.61Å | ||
| 712 | S | 20.8 | Very low | 22.1 | Very low | 24 Ų | 24 | 120.1 Ų | 120.1 | 17% | 0.168 | 64% | 0.642 | C | S | . | * | trans | -99.1 | 143.9 | -167.3 | 46.9 | 0 | 0 | 0 | 0 | 116.2 | W714 D715 L1020 | S712-W714 PolarHBondContact O-N 2.84Å; S712-D715 PolarHBondContact O-N 3.33Å; S712-L1020 VanDerWaalsContact CB-N 3.35Å | ||
| 713 | F | 23.6 | Very low | 22.2 | Very low | 202 Ų | 202 | 117.1 Ų | 117.1 | 89% | 0.886 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -61.4 | -11.2 | -178.8 | 177.9 | -110.1 | 0 | 0 | 0 | 116.4 | D715 | F713-D715 VanDerWaalsContact C-N 3.28Å; F713-D715 PolarHBondContact O-N 2.76Å |
| 714 | W | 22.3 | Very low | 22.3 | Very low | 151 Ų | 151 | 116.4 Ų | 116.4 | 57% | 0.572 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -76.5 | -10.6 | -179.3 | -105.9 | 87.5 | 0 | 0 | 0 | 115 | S712 P1017 | S712-W714 PolarHBondContact O-N 2.84Å; W714-P1017 HydrophobicContact CZ2-CG 3.77Å; W714-P1017 VanDerWaalsContact NE1-CG 3.26Å |
| 715 | D | 22.7 | Very low | 22.2 | Very low | 119 Ų | 119 | 114.8 Ų | 114.8 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -103.6 | 48.2 | 175.2 | -72 | -59.4 | 0 | 0 | 0 | 113.5 | S712 F713 | S712-D715 PolarHBondContact O-N 3.33Å; F713-D715 VanDerWaalsContact C-N 3.28Å; F713-D715 PolarHBondContact O-N 2.76Å |
| 716 | F | 27.4 | Very low | 22.8 | Very low | 145 Ų | 145 | 112.8 Ų | 112.8 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -134.7 | 46.3 | 140.1 | -151.8 | -98.8 | 0 | 0 | 0 | 113.6 | T719 | F716-T719 WeakPolarHBondContact CE2-OG1 3.47Š|
| 717 | L | 21 | Very low | 23 | Very low | 130 Ų | 130 | 111.9 Ų | 111.9 | 68% | 0.681 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -120.8 | 50.7 | 157.7 | -77.2 | -179.3 | 0 | 0 | 0 | 111.6 | ||
| 718 | N | 19.2 | Very low | 23.3 | Very low | 160 Ų | 160 | 114.6 Ų | 114.6 | 86% | 0.856 | 62% | 0.615 | S | S | * | * | trans | -166.2 | 60 | 157.8 | -95.4 | -38.2 | 0 | 0 | 0 | 114.2 | ||||
| 719 | T | 22.9 | Very low | 23.8 | Very low | 102 Ų | 102 | 113.8 Ų | 113.8 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | trans | -155.3 | 133.3 | 157.3 | -10.3 | 0 | 0 | 0 | 0 | 111.2 | F716 | F716-T719 WeakPolarHBondContact CE2-OG1 3.47Š| ||
| 720 | G | 22.6 | Very low | 24.2 | Very low | 43 Ų | 43 | 117.2 Ų | 117.2 | 44% | 0.443 | 63% | 0.634 | S | S | . | * | cis | 132.2 | 77 | -14.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 721 | Q | 21.8 | Very low | 24.6 | Very low | 176 Ų | 176 | 117.2 Ų | 117.2 | 82% | 0.822 | 64% | 0.642 | S | S | * | * | trans | 75.6 | 143 | 169.6 | -49.3 | 174.6 | 12.1 | 0 | 0 | 113.6 | L682 | L682-Q721 HydrophobicContact CD2-CB 4.43Å; L682-Q721 HydrophobicContact CD2-CG 4.23Å | ||
| 722 | A | 23.4 | Very low | 24.8 | Very low | 73 Ų | 73 | 115.4 Ų | 115.4 | 60% | 0.603 | 64% | 0.644 | S | S | * | * | cis | -154 | -179.8 | 3.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P684 | P684-A722 WeakPolarHBondContact CD-O 3.24Å; P684-A722 WeakPolarHBondContact CG-O 3.23Å | ||
| 723 | G | 22 | Very low | 25 | Very low | 48 Ų | 48 | 120.5 Ų | 120.5 | 50% | 0.495 | 67% | 0.669 | S | S | . | * | trans | 118.7 | 39.9 | 156 | 0 | 0 | 0 | 0 | 0 | 122.2 | P684 | P684-G723 WeakPolarHBondContact CB-O 3.47Å; P684-G723 VanDerWaalsContact CG-CA 3.43Å; P684-G723 WeakPolarHBondContact CG-O 3.46Å | ||
| 724 | I | 24.9 | Very low | 25 | Very low | 131 Ų | 131 | 114.5 Ų | 114.5 | 67% | 0.672 | 66% | 0.657 | S | S | * | * | trans | -50.9 | 158.7 | 178 | -109 | 148.2 | 0 | 0 | 0 | 115.5 | ||||
| 725 | P | 26.9 | Very low | 25.1 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 54% | 0.539 | 67% | 0.665 | S | S | . | * | cis | -115.7 | -88 | -8.8 | 28.4 | -12.6 | 0 | 0 | 0 | 119.7 | S685 | S685-P725 PolarHBondContact N-O 3.08Š| ||
| 726 | P | 34 | Very low | 25.3 | Very low | 67 Ų | 67 | 113 Ų | 113 | 44% | 0.435 | 66% | 0.663 | S | S | . | * | -123.6 | 178.2 | -87 | 37.8 | -23.1 | 0 | 0 | 0 | 118.2 | |||||
| 727 | V | 24.6 | Very low | 25 | Very low | 106 Ų | 106 | 111.2 Ų | 111.2 | 64% | 0.642 | 66% | 0.66 | S | S | * | * | trans | 72.4 | 136.8 | 164.3 | -173.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 728 | Q | 28.7 | Very low | 25 | Very low | 171 Ų | 171 | 115.7 Ų | 115.7 | 80% | 0.799 | 67% | 0.67 | S | S | * | * | cis | -169.8 | 174.1 | -34 | -111.6 | 158.3 | -81.1 | 0 | 0 | 109.1 | ||||
| 729 | P | 32.4 | Very low | 25.2 | Very low | 103 Ų | 103 | 112.4 Ų | 112.4 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | trans | -117.2 | 167.8 | -155.1 | 43.1 | -37.4 | 0 | 0 | 0 | 118.5 | ||||
| 730 | F | 28 | Very low | 25.2 | Very low | 218 Ų | 218 | 116.1 Ų | 116.1 | 96% | 0.956 | 67% | 0.667 | S | S | * | * | trans | -179.2 | 155.7 | 131.1 | -92.1 | -59.8 | 0 | 0 | 0 | 111.5 | ||||
| 731 | G | 27.7 | Very low | 25.2 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | trans | 108.2 | 130.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 732 | P | 25.1 | Very low | 25.4 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | trans | -110.6 | 5.8 | -172.5 | 40.6 | -34.6 | 0 | 0 | 0 | 118.6 | A734 V735 | P732-A734 PolarHBondContact O-N 3.22Å; P732-V735 PolarHBondContact O-N 2.67Å | ||
| 733 | D | 23.9 | Very low | 25.2 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -6.6 | -175.7 | -68.1 | -67.4 | 0 | 0 | 0 | 116.1 | V735 I736 | D733-V735 PolarHBondContact O-N 3.15Å; D733-V735 VanDerWaalsContact O-N 3.16Å; D733-I736 PolarHBondContact O-N 3.08Å |
| 734 | A | 22.9 | Very low | 25.4 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -59.6 | -21.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | P732 I736 N737 Y738 | P732-A734 PolarHBondContact O-N 3.22Å; A734-I736 PolarHBondContact O-N 3.34Å; A734-N737 PolarHBondContact O-N 2.98Å; A734-Y738 PolarHBondContact O-N 2.79Å |
| 735 | V | 25.2 | Very low | 25.5 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 75% | 0.745 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -59.8 | -30.6 | 179.5 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | P732 D733 | P732-V735 PolarHBondContact O-N 2.67Å; D733-V735 PolarHBondContact O-N 3.15Å; D733-V735 VanDerWaalsContact O-N 3.16Å |
| 736 | I | 26 | Very low | 25.7 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 59% | 0.585 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -82 | -27.7 | -177.1 | -67.5 | 176.2 | 0 | 0 | 0 | 112.4 | D733 A734 | D733-I736 PolarHBondContact O-N 3.08Å; A734-I736 PolarHBondContact O-N 3.34Å |
| 737 | N | 22.7 | Very low | 25.2 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 58% | 0.583 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -93.3 | -23.9 | -171.6 | -79.9 | -37.4 | 0 | 0 | 0 | 115.1 | A734 A739 R740 | A734-N737 PolarHBondContact O-N 2.98Å; N737-A739 PolarHBondContact O-N 2.79Å; N737-R740 PolarHBondContact O-N 2.88Å |
| 738 | Y | 21.2 | Very low | 25.3 | Very low | 224 Ų | 224 | 128.8 Ų | 128.8 | 88% | 0.878 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -15 | 174 | -139.6 | -84.9 | 0 | 0 | 0 | 113.3 | A734 R740 | A734-Y738 PolarHBondContact O-N 2.79Å; Y738-R740 VanDerWaalsContact C-N 3.33Å |
| 739 | A | 23.5 | Very low | 25.2 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -4.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N737 | N737-A739 PolarHBondContact O-N 2.79Š|
| 740 | R | 22.6 | Very low | 24.8 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -111.8 | -10.1 | -158.4 | -114.6 | 178.2 | -179.4 | -176.6 | 0.8 | 118.3 | N737 Y738 | N737-R740 PolarHBondContact O-N 2.88Å; Y738-R740 VanDerWaalsContact C-N 3.33Å |
| 741 | Q | 21.7 | Very low | 24.5 | Very low | 188 Ų | 188 | 124.5 Ų | 124.5 | 88% | 0.879 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -168.3 | 114 | 167.5 | -102.3 | 136.2 | 98.4 | 0 | 0 | 109.8 | ||
| 742 | G | 25.3 | Very low | 24.3 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | cis | 153.4 | 142 | -12.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 743 | L | 21 | Very low | 24 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | trans | -148.3 | 128.7 | 161.5 | -118.4 | 166.4 | 0 | 0 | 0 | 109.7 | ||||
| 744 | N | 25.7 | Very low | 23.7 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 60% | 0.604 | 70% | 0.704 | S | S | * | * | trans | -87.5 | 119.8 | -164.8 | -171.1 | -19.7 | 0 | 0 | 0 | 111.3 | L746 S747 | N744-L746 PolarHBondContact O-N 2.84Å; N744-L746 VanDerWaalsContact OD1-CB 3.32Å; N744-L746 WeakPolarHBondContact OD1-CB 3.07Å; N744-L746 PolarHBondContact OD1-N 3.05Å; N744-S747 PolarHBondContact O-N 3.45Å; N744-S747 PolarHBondContact O-OG 3.45Å; N744-S747 VanDerWaalsContact O-OG 3.04Å | ||
| 745 | L | 27.7 | Very low | 23.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 66% | 0.66 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.4 | -23.7 | 176 | -177.9 | 62.4 | 0 | 0 | 0 | 114 | S747 F748 L749 | L745-S747 PolarHBondContact O-N 3.21Å; L745-F748 HydrophobicContact CD1-CB 4.34Å; L745-F748 HydrophobicContact CD1-CD1 4.24Å; L745-F748 WeakPolarHBondContact O-CB 3.49Å; L745-F748 PolarHBondContact O-N 2.84Å; L745-F748 VanDerWaalsContact O-N 3.17Å; L745-L749 PolarHBondContact O-N 3.11Å |
| 746 | L | 29.4 | Very low | 23.2 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 57% | 0.565 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -15.2 | 176.6 | -154.8 | 67.3 | 0 | 0 | 0 | 114.3 | N744 L749 | N744-L746 PolarHBondContact O-N 2.84Å; N744-L746 VanDerWaalsContact OD1-CB 3.32Å; N744-L746 WeakPolarHBondContact OD1-CB 3.07Å; N744-L746 PolarHBondContact OD1-N 3.05Å; L746-L749 HydrophobicContact CD1-CD1 4.39Å |
| 747 | S | 24.8 | Very low | 22.9 | Very low | 62 Ų | 62 | 141.3 Ų | 141.3 | 43% | 0.434 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | -36.6 | 170.8 | 65.4 | 0 | 0 | 0 | 0 | 112.7 | N744 L745 L749 K750 N751 | N744-S747 PolarHBondContact O-N 3.45Å; N744-S747 PolarHBondContact O-OG 3.45Å; N744-S747 VanDerWaalsContact O-OG 3.04Å; L745-S747 PolarHBondContact O-N 3.21Å; S747-L749 VanDerWaalsContact C-N 3.31Å; S747-L749 PolarHBondContact O-N 2.96Å; S747-K750 WeakPolarHBondContact O-CA 3.25Å; S747-K750 PolarHBondContact O-N 3.45Å; S747-N751 PolarHBondContact O-N 2.92Å |
| 748 | F | 25.9 | Very low | 22.7 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -59.4 | -43.9 | 173 | 178.6 | -107.3 | 0 | 0 | 0 | 110.8 | L745 K750 N751 | L745-F748 HydrophobicContact CD1-CB 4.34Å; L745-F748 HydrophobicContact CD1-CD1 4.24Å; L745-F748 WeakPolarHBondContact O-CB 3.49Å; L745-F748 PolarHBondContact O-N 2.84Å; L745-F748 VanDerWaalsContact O-N 3.17Å; F748-K750 PolarHBondContact O-N 3.01Å; F748-K750 VanDerWaalsContact O-N 3.14Å; F748-N751 PolarHBondContact O-N 2.94Å |
| 749 | L | 26.9 | Very low | 22.6 | Very low | 111 Ų | 111 | 139 Ų | 139 | 58% | 0.581 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -65.2 | -10 | 172.7 | -69.9 | 174.6 | 0 | 0 | 0 | 114.7 | L745 L746 S747 | L745-L749 PolarHBondContact O-N 3.11Å; L746-L749 HydrophobicContact CD1-CD1 4.39Å; S747-L749 VanDerWaalsContact C-N 3.31Å; S747-L749 PolarHBondContact O-N 2.96Å |
| 750 | K | 24.5 | Very low | 22.4 | Very low | 154 Ų | 154 | 141 Ų | 141 | 67% | 0.67 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -105.7 | -10.3 | 179 | -96 | -175.4 | 173.5 | -179.7 | 0 | 115.3 | S747 F748 | S747-K750 WeakPolarHBondContact O-CA 3.25Å; S747-K750 PolarHBondContact O-N 3.45Å; F748-K750 PolarHBondContact O-N 3.01Å; F748-K750 VanDerWaalsContact O-N 3.14Å |
| 751 | N | 21.7 | Very low | 22.3 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -95.9 | 0.9 | 174.4 | -75.3 | -8.6 | 0 | 0 | 0 | 113.7 | S747 F748 K753 | S747-N751 PolarHBondContact O-N 2.92Å; F748-N751 PolarHBondContact O-N 2.94Å; N751-K753 PolarHBondContact O-N 3Å |
| 752 | L | 23.2 | Very low | 22.2 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | trans | -67.3 | 61.1 | 150.2 | -85.7 | 166.5 | 0 | 0 | 0 | 110.8 | M754 | L752-M754 PolarHBondContact O-N 3.2Š| ||
| 753 | K | 18.1 | Very low | 22.1 | Very low | 181 Ų | 181 | 144 Ų | 144 | 79% | 0.787 | 72% | 0.724 | S | S | * | * | trans | -88.7 | 86.1 | 173.1 | -86.4 | -176.5 | 177.6 | 176 | 0 | 110.5 | N751 | N751-K753 PolarHBondContact O-N 3Š| ||
| 754 | M | 18.6 | Very low | 22.1 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 91% | 0.906 | 71% | 0.713 | S | S | * | * | trans | -90.9 | 129.9 | 155.5 | -146.5 | 178.1 | -166.4 | 0 | 0 | 109.6 | L752 | L752-M754 PolarHBondContact O-N 3.2Š| ||
| 755 | S | 19.3 | Very low | 21.8 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 40.6 | 103.7 | 158.8 | -157.9 | 0 | 0 | 0 | 0 | 120.3 | ||
| 756 | R | 17.5 | Very low | 21.4 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | trans | 43.9 | 110.2 | 140 | -80.8 | 179.8 | 170.8 | 166.9 | -0 | 119.7 | R758 | R756-R758 HydrophobicContact CB-CB 4.21Å; R756-R758 HydrophobicContact CG-CB 4.34Å; R756-R758 PolarHBondContact O-N 2.71Å; R756-R758 VanDerWaalsContact O-N 3.08Å | ||
| 757 | T | 19.6 | Very low | 21 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 93% | 0.926 | 72% | 0.724 | S | S | * | * | -58.9 | 97.3 | 127.8 | 39.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 758 | R | 18.1 | Very low | 20.7 | Very low | 195 Ų | 195 | 151.3 Ų | 151.3 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | -160.1 | 55.9 | 164.6 | -119.3 | -173.1 | -162 | -158.3 | 5.8 | 113.4 | R756 | R756-R758 HydrophobicContact CB-CB 4.21Å; R756-R758 HydrophobicContact CG-CB 4.34Å; R756-R758 PolarHBondContact O-N 2.71Å; R756-R758 VanDerWaalsContact O-N 3.08Å | ||
| 759 | A | 20.7 | Very low | 20.4 | Very low | 88 Ų | 88 | 151.4 Ų | 151.4 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -162.1 | 74.8 | 162 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 760 | I | 18.7 | Very low | 20.1 | Very low | 133 Ų | 133 | 154 Ų | 154 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | 68.1 | 131.5 | 83.1 | -61.3 | 169.7 | 0 | 0 | 0 | 110.6 | S762 | I760-S762 VanDerWaalsContact C-N 3.32Å; I760-S762 PolarHBondContact O-N 2.96Å; I760-S762 PolarHBondContact O-OG 2.87Å | |||
| 761 | E | 20.3 | Very low | 19.8 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -56.8 | 89.9 | 179.9 | -70.3 | 142.4 | 138.4 | 0 | 0 | 111.7 | ||
| 762 | S | 18.5 | Very low | 19.6 | Very low | 90 Ų | 90 | 154 Ų | 154 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | -168.5 | 111.8 | -179.4 | 51.4 | 0 | 0 | 0 | 0 | 104.4 | I760 | I760-S762 VanDerWaalsContact C-N 3.32Å; I760-S762 PolarHBondContact O-N 2.96Å; I760-S762 PolarHBondContact O-OG 2.87Å | ||
| 763 | R | 23.9 | Very low | 19.5 | Very low | 227 Ų | 227 | 151.7 Ų | 151.7 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -166.7 | 113 | 33.6 | 173.3 | -172.4 | -166.4 | 173.7 | 5.2 | 105.3 | ||
| 764 | Q | 21.5 | Very low | 19.6 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -147.8 | 132.5 | 21.4 | -86.1 | 148 | -88.9 | 0 | 0 | 112.8 | R766 | Q764-R766 VanDerWaalsContact CB-O 3.3Å; Q764-R766 WeakPolarHBondContact CB-O 3Å; Q764-R766 WeakPolarHBondContact CG-O 3.37Å |
| 765 | Q | 19.8 | Very low | 19.7 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | -131.8 | 151.8 | 104.3 | -63.7 | -164 | -96.5 | 0 | 0 | 107.1 | F767 | Q765-F767 PolarHBondContact NE2-O 2.83Š| |||
| 766 | R | 18.6 | Very low | 19.9 | Very low | 175 Ų | 175 | 150 Ų | 150 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | cis | -46.5 | 151.6 | -8.3 | -67.4 | -162 | 169.9 | 136.2 | 1.4 | 113.5 | Q764 E768 | Q764-R766 VanDerWaalsContact CB-O 3.3Å; Q764-R766 WeakPolarHBondContact CB-O 3Å; Q764-R766 WeakPolarHBondContact CG-O 3.37Å; R766-E768 HydrophobicContact CB-CB 4.19Å; R766-E768 HydrophobicContact CG-CB 3.75Å; R766-E768 IonicContact CZ-OE2 3.33Å; R766-E768 IonicContact NE-OE2 2.66Å; R766-E768 PolarHBondContact NE-OE2 3.21Å; R766-E768 IonicContact NH2-OE2 3.04Å; R766-E768 PolarHBondContact NH2-OE2 3Å; R766-E768 VanDerWaalsContact NH2-OE2 3.1Å | ||
| 767 | F | 20.2 | Very low | 20 | Very low | 144 Ų | 144 | 146 Ų | 146 | 63% | 0.632 | 75% | 0.752 | S | S | * | * | cis | -84.1 | 147.7 | 10.4 | -68.6 | -110.2 | 0 | 0 | 0 | 110.9 | Q765 | Q765-F767 PolarHBondContact NE2-O 2.83Š| ||
| 768 | E | 19.4 | Very low | 20 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 50% | 0.495 | 74% | 0.742 | S | S | . | * | cis | 49.7 | 98.1 | 1.1 | -124.1 | 176.3 | -150.4 | 0 | 0 | 116.4 | R766 | R766-E768 HydrophobicContact CB-CB 4.19Å; R766-E768 HydrophobicContact CG-CB 3.75Å; R766-E768 IonicContact CZ-OE2 3.33Å; R766-E768 IonicContact NE-OE2 2.66Å; R766-E768 PolarHBondContact NE-OE2 3.21Å; R766-E768 IonicContact NH2-OE2 3.04Å; R766-E768 PolarHBondContact NH2-OE2 3Å; R766-E768 VanDerWaalsContact NH2-OE2 3.1Å | ||
| 769 | E | 18.8 | Very low | 20.2 | Very low | 156 Ų | 156 | 146 Ų | 146 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | trans | 86.5 | 157.2 | 159.3 | -56.9 | 179.7 | 139.7 | 0 | 0 | 119.1 | ||||
| 770 | E | 20.3 | Very low | 20.1 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 62.8 | 92.2 | 179.4 | -54.6 | -171.6 | 163.1 | 0 | 0 | 115.6 | ||||
| 771 | T | 18.4 | Very low | 20.2 | Very low | 120 Ų | 120 | 151 Ų | 151 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | 67.8 | 137.3 | 56.1 | 77.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 772 | M | 18.8 | Very low | 20.3 | Very low | 170 Ų | 170 | 149 Ų | 149 | 84% | 0.837 | 76% | 0.755 | S | S | * | * | trans | 69.8 | 112.2 | 163 | -74.3 | 171.8 | 155.1 | 0 | 0 | 114.5 | ||||
| 773 | S | 20.6 | Very low | 20.4 | Very low | 104 Ų | 104 | 152.6 Ų | 152.6 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 79.3 | 138 | 89.4 | 79.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 774 | D | 20.1 | Very low | 20.3 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | cis | -155.2 | -176.3 | -15.7 | -147.3 | -36.5 | 0 | 0 | 0 | 106.2 | ||||
| 775 | E | 20.6 | Very low | 20.4 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 38.1 | 106.7 | 163.1 | -57 | -171.6 | 157.7 | 0 | 0 | 116.7 | ||||
| 776 | S | 22.5 | Very low | 20.4 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | -175.9 | 127.5 | 71.5 | 34.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 777 | A | 20.1 | Very low | 20.5 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 94% | 0.942 | 78% | 0.776 | S | S | * | * | trans | -113.3 | 84.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 778 | D | 21.1 | Very low | 20.5 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | -125.6 | 146.8 | 173.4 | -165.2 | 12.3 | 0 | 0 | 0 | 111.1 | ||||
| 779 | R | 20.3 | Very low | 20.7 | Very low | 214 Ų | 214 | 159 Ų | 159 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | 64.9 | 97.7 | 175.6 | -53.2 | -166.1 | -178 | -165.8 | -3.1 | 118.4 | ||||
| 780 | F | 20.1 | Very low | 20.7 | Very low | 216 Ų | 216 | 162.8 Ų | 162.8 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | trans | -52.8 | 131.5 | 142.9 | -75.3 | -112.4 | 0 | 0 | 0 | 111.9 | ||||
| 781 | S | 20.9 | Very low | 20.9 | Very low | 109 Ų | 109 | 161.7 Ų | 161.7 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -166.5 | 105.3 | 136.5 | 56.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 782 | D | 21.3 | Very low | 21.1 | Very low | 148 Ų | 148 | 160.5 Ų | 160.5 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | 94.7 | 145.7 | 69.6 | -160.9 | 13.8 | 0 | 0 | 0 | 112.2 | |||||
| 783 | E | 20 | Very low | 21.4 | Very low | 165 Ų | 165 | 157.9 Ų | 157.9 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | 63.3 | 162.1 | 167.6 | -93.1 | -175.7 | 155.4 | 0 | 0 | 123.3 | ||||
| 784 | S | 21.8 | Very low | 21.4 | Very low | 106 Ų | 106 | 159.8 Ų | 159.8 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | 63.9 | 73.5 | 154.5 | -65.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 785 | L | 24 | Very low | 21.5 | Very low | 179 Ų | 179 | 164.2 Ų | 164.2 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | -150.2 | 68.4 | 133.2 | -118.9 | 170.1 | 0 | 0 | 0 | 113.5 | ||||
| 786 | R | 19.7 | Very low | 21.5 | Very low | 229 Ų | 229 | 161 Ų | 161 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -117.1 | 93.7 | 173.5 | -178.2 | -170.4 | -171.5 | -166.7 | 1.9 | 109.4 | ||||
| 787 | H | 21.2 | Very low | 21.4 | Very low | 148 Ų | 148 | 165 Ų | 165 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | 176.2 | 151.2 | 143.3 | -101.3 | -66.3 | 0 | 0 | 0 | 114 | ||||
| 788 | R | 20.5 | Very low | 21.4 | Very low | 212 Ų | 212 | 167 Ų | 167 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | 54.5 | 99.4 | 153.6 | -72 | -175.1 | -97.4 | -139.6 | -3.5 | 118.4 | ||||
| 789 | Y | 22.9 | Very low | 21.4 | Very low | 218 Ų | 218 | 166.6 Ų | 166.6 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | -133.4 | 114.4 | 118.8 | -102 | -79.4 | 0 | 0 | 0 | 110 | D791 | Y789-D791 HydrophobicContact CD1-CB 4.42Š| |||
| 790 | R | 19.3 | Very low | 21.6 | Very low | 235 Ų | 235 | 160.3 Ų | 160.3 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -93.1 | 137.5 | 140.4 | -72.6 | 179.7 | 175.9 | 177.4 | -2 | 104.3 | ||||
| 791 | D | 24 | Very low | 21.8 | Very low | 143 Ų | 143 | 157.4 Ų | 157.4 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | -172.9 | 161.4 | 149 | -100.2 | -32.5 | 0 | 0 | 0 | 112.4 | Y789 | Y789-D791 HydrophobicContact CD1-CB 4.42Š| ||
| 792 | A | 23 | Very low | 22 | Very low | 95 Ų | 95 | 155.9 Ų | 155.9 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 69.8 | 148 | 173.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 793 | P | 25.7 | Very low | 22.1 | Very low | 114 Ų | 114 | 154.5 Ų | 154.5 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -136 | -165.9 | -159.4 | 35.7 | -11.4 | 0 | 0 | 0 | 115.1 | ||||
| 794 | L | 20.9 | Very low | 22.3 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 63.6 | 101.4 | 157.5 | -72.6 | 160.3 | 0 | 0 | 0 | 118.9 | ||||
| 795 | Y | 20.8 | Very low | 22.5 | Very low | 240 Ų | 240 | 150 Ų | 150 | 94% | 0.941 | 76% | 0.758 | S | S | * | * | -161.7 | 103.4 | 125.2 | -112.1 | -68.5 | 0 | 0 | 0 | 112.4 | |||||
| 796 | P | 21.8 | Very low | 22.6 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | trans | -109.6 | 121.7 | 171.7 | 34.4 | -25.1 | 0 | 0 | 0 | 112.5 | ||||
| 797 | K | 20.9 | Very low | 22.8 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | trans | -173.3 | 132.2 | 147 | -108.5 | 157.8 | -172.9 | 176.5 | 0 | 114 | ||||
| 798 | L | 20 | Very low | 23 | Very low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 64.2 | 146.8 | 176.7 | -82.7 | 70.1 | 0 | 0 | 0 | 116 | ||
| 799 | P | 20.6 | Very low | 23.3 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -92.3 | 125.7 | -146 | -8.4 | 28.5 | 0 | 0 | 0 | 113 | ||||
| 800 | S | 23.3 | Very low | 23.5 | Very low | 81 Ų | 81 | 123.1 Ų | 123.1 | 57% | 0.566 | 67% | 0.674 | S | S | * | * | trans | -77.1 | 161.7 | 166.9 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | T802 | S800-T802 PolarHBondContact O-N 2.71Å; S800-T802 PolarHBondContact OG-OG1 2.79Å | ||
| 801 | L | 25 | Very low | 24.1 | Very low | 155 Ų | 155 | 117.7 Ų | 117.7 | 81% | 0.812 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -15.2 | -176.2 | -119.7 | 68.5 | 0 | 0 | 0 | 115.4 | N803 V804 A805 | L801-N803 VanDerWaalsContact C-N 3.35Å; L801-N803 PolarHBondContact O-N 3.2Å; L801-V804 PolarHBondContact O-N 2.75Å; L801-A805 PolarHBondContact O-N 2.81Å |
| 802 | T | 24.7 | Very low | 24.4 | Very low | 78 Ų | 78 | 112.7 Ų | 112.7 | 48% | 0.479 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -54.7 | -45.2 | -171.9 | -34 | 0 | 0 | 0 | 0 | 112.8 | S800 V804 A805 H806 | S800-T802 PolarHBondContact O-N 2.71Å; S800-T802 PolarHBondContact OG-OG1 2.79Å; T802-V804 PolarHBondContact O-N 2.55Å; T802-A805 PolarHBondContact O-N 3.43Å; T802-H806 PolarHBondContact O-CD2 2.84Å |
| 803 | N | 23.6 | Very low | 24.8 | Very low | 118 Ų | 118 | 111.4 Ų | 111.4 | 63% | 0.631 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.3 | -29 | -175.2 | -70.6 | 35.8 | 0 | 0 | 0 | 112.8 | L801 A805 | L801-N803 VanDerWaalsContact C-N 3.35Å; L801-N803 PolarHBondContact O-N 3.2Å; N803-A805 VanDerWaalsContact C-N 3.3Å; N803-A805 PolarHBondContact O-N 3.24Å |
| 804 | V | 25 | Very low | 25 | Very low | 98 Ų | 98 | 109.3 Ų | 109.3 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -76.4 | -21.7 | 177.9 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | L801 T802 L808 | L801-V804 PolarHBondContact O-N 2.75Å; T802-V804 PolarHBondContact O-N 2.55Å; V804-L808 HydrophobicContact CG1-CD1 4.21Å; V804-L808 VanDerWaalsContact O-CD1 3.32Å; V804-L808 WeakPolarHBondContact O-CD1 3.03Å |
| 805 | A | 26.7 | Very low | 25.6 | Very low | 80 Ų | 80 | 104.5 Ų | 104.5 | 66% | 0.661 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -76.2 | -26.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L801 T802 N803 | L801-A805 PolarHBondContact O-N 2.81Å; T802-A805 PolarHBondContact O-N 3.43Å; N803-A805 VanDerWaalsContact C-N 3.3Å; N803-A805 PolarHBondContact O-N 3.24Å |
| 806 | H | 24.3 | Very low | 26.3 | Very low | 130 Ų | 130 | 96 Ų | 96 | 60% | 0.602 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -80.3 | -25.6 | 179.4 | -79.1 | -73 | 0 | 0 | 0 | 113.6 | T802 | T802-H806 PolarHBondContact O-CD2 2.84Å |
| 807 | D | 24.7 | Very low | 26.7 | Very low | 118 Ų | 118 | 100.6 Ų | 100.6 | 63% | 0.631 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -94.3 | 11.7 | -173.1 | -68.5 | -25.5 | 0 | 0 | 0 | 114.8 | P809 | D807-P809 VanDerWaalsContact C-CD 3.41Š|
| 808 | L | 25.5 | Very low | 27.5 | Very low | 96 Ų | 96 | 94.8 Ų | 94.8 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | trans | -123.9 | 51.8 | 178.9 | -81.1 | 96.6 | 0 | 0 | 0 | 116.7 | V804 G810 F811 | V804-L808 HydrophobicContact CG1-CD1 4.21Å; V804-L808 VanDerWaalsContact O-CD1 3.32Å; V804-L808 WeakPolarHBondContact O-CD1 3.03Å; L808-G810 VanDerWaalsContact C-N 3.27Å; L808-G810 PolarHBondContact O-N 3.41Å; L808-F811 HydrophobicContact CD2-CD2 4.47Å; L808-F811 HydrophobicContact CD2-CE2 4.46Å | ||
| 809 | P | 27.1 | Very low | 28 | Very low | 36 Ų | 36 | 90.6 Ų | 90.6 | 23% | 0.234 | 55% | 0.553 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -67.8 | 87.7 | 159.7 | 29.2 | -30.6 | 0 | 0 | 0 | 110.3 | D807 N975 L977 | D807-P809 VanDerWaalsContact C-CD 3.41Å; P809-N975 WeakPolarHBondContact CG-ND2 3.4Å; P809-L977 HydrophobicContact CG-CB 4.43Å; P809-L977 HydrophobicContact CG-CD2 4.05Å |
| 810 | G | 26.9 | Very low | 28.5 | Very low | 40 Ų | 40 | 89.9 Ų | 89.9 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -172.8 | -14.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L808 G812 A813 | L808-G810 VanDerWaalsContact C-N 3.27Å; L808-G810 PolarHBondContact O-N 3.41Å; G810-G812 PolarHBondContact O-N 3.2Å; G810-A813 PolarHBondContact O-N 3.3Å; G810-A813 VanDerWaalsContact O-N 3.13Å |
| 811 | F | 30.9 | Very low | 28.9 | Very low | 122 Ų | 122 | 92 Ų | 92 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | 0.7 | 178.8 | -114.9 | -103.4 | 0 | 0 | 0 | 115.7 | L808 I829 | L808-F811 HydrophobicContact CD2-CD2 4.47Å; L808-F811 HydrophobicContact CD2-CE2 4.46Å; F811-I829 HydrophobicContact CD1-CB 4.14Å; F811-I829 HydrophobicContact CE1-CB 3.86Å; F811-I829 HydrophobicContact CE1-CD1 4.19Å; F811-I829 HydrophobicContact CE1-CG2 3.98Å |
| 812 | G | 31.8 | Very low | 29.3 | Very low | 38 Ų | 38 | 87.1 Ų | 87.1 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -6.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G810 | G810-G812 PolarHBondContact O-N 3.2Š|
| 813 | A | 30 | Very low | 29.9 | Very low | 67 Ų | 67 | 86.9 Ų | 86.9 | 55% | 0.554 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -67.6 | 140.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | G810 L815 | G810-A813 PolarHBondContact O-N 3.3Å; G810-A813 VanDerWaalsContact O-N 3.13Å; A813-L815 PolarHBondContact O-N 2.76Å |
| 814 | C | 30.8 | Very low | 30.5 | Very low | 71 Ų | 71 | 86.5 Ų | 86.5 | 48% | 0.48 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 120.2 | -175.2 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 815 | L | 33.6 | Very low | 31.2 | Very low | 43 Ų | 43 | 87 Ų | 87 | 23% | 0.225 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 140.8 | 170 | -74.3 | 165.2 | 0 | 0 | 0 | 111.1 | A813 F822 I829 L998 | A813-L815 PolarHBondContact O-N 2.76Å; L815-F822 HydrophobicContact CB-CD2 4.19Å; L815-F822 HydrophobicContact CB-CE2 3.76Å; L815-F822 HydrophobicContact CB-CZ 4.31Å; L815-F822 VanDerWaalsContact O-CZ 3.24Å; L815-F822 WeakPolarHBondContact O-CZ 3.33Å; L815-I829 HydrophobicContact CD1-CD1 3.8Å; L815-I829 HydrophobicContact CD1-CG1 4.16Å; L815-L998 HydrophobicContact CD2-CD1 4.07Å |
| 816 | P | 36.2 | Very low | 31.6 | Very low | 62 Ų | 62 | 83.4 Ų | 83.4 | 40% | 0.403 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 154.5 | 173.6 | -25.5 | 35.5 | 0 | 0 | 0 | 114 | T819 | P816-T819 PolarHBondContact O-OG1 3.19Š|
| 817 | K | 30.1 | Very low | 32.2 | Very low | 197 Ų | 197 | 79.8 Ų | 79.8 | 86% | 0.857 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 137.2 | 174.1 | -72.8 | 179.4 | 177 | 175 | 0 | 111.1 | ||
| 818 | G | 36 | Very low | 32.8 | Very low | 77 Ų | 77 | 74.4 Ų | 74.4 | 79% | 0.794 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.6 | -17.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 819 | T | 30.6 | Very low | 33.5 | Very low | 69 Ų | 69 | 72.4 Ų | 72.4 | 42% | 0.423 | 44% | 0.443 | S | S | . | . | trans | -72.7 | 137.9 | 178.6 | -21.9 | 0 | 0 | 0 | 0 | 111.8 | P816 F822 | P816-T819 PolarHBondContact O-OG1 3.19Å; T819-F822 WeakPolarHBondContact O-CB 3.42Å; T819-F822 PolarHBondContact O-N 3.29Å | ||
| 820 | P | 32.4 | Very low | 34.3 | Very low | 112 Ų | 112 | 73.8 Ų | 73.8 | 73% | 0.727 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 156.1 | 176.9 | -24.9 | 35.3 | 0 | 0 | 0 | 113.6 | F822 | P820-F822 PolarHBondContact O-N 2.89Š|
| 821 | L | 31.4 | Very low | 35.2 | Very low | 124 Ų | 124 | 73.1 Ų | 73.1 | 65% | 0.649 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 10.1 | -171.4 | -53.6 | 176 | 0 | 0 | 0 | 115.2 | N832 | L821-N832 PolarHBondContact O-ND2 3.41Š|
| 822 | F | 33.2 | Very low | 36 | Very low | 53 Ų | 53 | 67.9 Ų | 67.9 | 23% | 0.232 | 41% | 0.412 | C | S | . | . | trans | -95.3 | 147.4 | 173.3 | -153.8 | -106.7 | 0 | 0 | 0 | 111.9 | L815 T819 P820 P827 | L815-F822 HydrophobicContact CB-CD2 4.19Å; L815-F822 HydrophobicContact CB-CE2 3.76Å; L815-F822 HydrophobicContact CB-CZ 4.31Å; L815-F822 VanDerWaalsContact O-CZ 3.24Å; L815-F822 WeakPolarHBondContact O-CZ 3.33Å; T819-F822 WeakPolarHBondContact O-CB 3.42Å; T819-F822 PolarHBondContact O-N 3.29Å; P820-F822 PolarHBondContact O-N 2.89Å; F822-P827 WeakPolarHBondContact CE2-O 3.4Å; F822-P827 HydrophobicContact CZ-CB 4.31Å | ||
| 823 | N | 37.3 | Very low | 36.6 | Very low | 74 Ų | 74 | 71.3 Ų | 71.3 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -140.8 | 134.7 | 173.8 | 178.6 | -28.7 | 0 | 0 | 0 | 107.6 | M825 S826 | N823-M825 PolarHBondContact O-N 3.02Å; N823-M825 PolarHBondContact OD1-N 3.17Å; N823-M825 VanDerWaalsContact OD1-N 3.12Å; N823-S826 PolarHBondContact O-N 3.35Å; N823-S826 VanDerWaalsContact O-N 3.14Å |
| 824 | S | 35.4 | Very low | 37.3 | Very low | 109 Ų | 109 | 69.7 Ų | 69.7 | 76% | 0.762 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -10.2 | -175.3 | 46.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 825 | M | 39.7 | Very low | 37.7 | Very low | 110 Ų | 110 | 72.3 Ų | 72.3 | 54% | 0.542 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -6.4 | 175.8 | -65.1 | -169.2 | 77.7 | 0 | 0 | 115.5 | N823 | N823-M825 PolarHBondContact O-N 3.02Å; N823-M825 PolarHBondContact OD1-N 3.17Å; N823-M825 VanDerWaalsContact OD1-N 3.12Å |
| 826 | S | 36.7 | Very low | 38 | Very low | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -153.6 | 104.2 | -177.8 | 32.3 | 0 | 0 | 0 | 0 | 112 | N823 S828 N832 R835 | N823-S826 PolarHBondContact O-N 3.35Å; N823-S826 VanDerWaalsContact O-N 3.14Å; S826-S828 PolarHBondContact O-N 2.76Å; S826-N832 PolarHBondContact OG-OD1 3.3Å; S826-R835 PolarHBondContact OG-NH1 2.81Å; S826-R835 VanDerWaalsContact OG-NH1 3.11Å |
| 827 | P | 35.6 | Very low | 37.9 | Very low | 54 Ų | 54 | 75.7 Ų | 75.7 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | trans | -80.5 | -6.3 | -165.4 | 31.3 | -36.7 | 0 | 0 | 0 | 115.9 | F822 | F822-P827 WeakPolarHBondContact CE2-O 3.4Å; F822-P827 HydrophobicContact CZ-CB 4.31Å | ||
| 828 | S | 37.1 | Very low | 38 | Very low | 6 Ų | 6 | 72.3 Ų | 72.3 | 4% | 0.042 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -101.6 | 138.8 | 173.9 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | S826 L830 Q831 N832 A942 | S826-S828 PolarHBondContact O-N 2.76Å; S828-L830 PolarHBondContact O-N 3.27Å; S828-Q831 WeakPolarHBondContact O-CB 2.99Å; S828-Q831 PolarHBondContact O-N 3.29Å; S828-Q831 VanDerWaalsContact O-N 3.13Å; S828-Q831 WeakPolarHBondContact OG-CG 3.04Å; S828-Q831 PolarHBondContact OG-N 2.75Å; S828-N832 PolarHBondContact O-N 2.95Å; S828-A942 PolarHBondContact OG-O 2.88Å |
| 829 | I | 41.8 | Very low | 38 | Very low | 53 Ų | 53 | 70.5 Ų | 70.5 | 27% | 0.272 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -32.1 | 174.4 | -72.1 | 172.9 | 0 | 0 | 0 | 110.6 | F811 L815 N832 F833 | F811-I829 HydrophobicContact CD1-CB 4.14Å; F811-I829 HydrophobicContact CE1-CB 3.86Å; F811-I829 HydrophobicContact CE1-CD1 4.19Å; F811-I829 HydrophobicContact CE1-CG2 3.98Å; L815-I829 HydrophobicContact CD1-CD1 3.8Å; L815-I829 HydrophobicContact CD1-CG1 4.16Å; I829-N832 PolarHBondContact O-N 3.17Å; I829-F833 PolarHBondContact O-N 2.67Å |
| 830 | L | 44 | Very low | 38.5 | Very low | 66 Ų | 66 | 68.8 Ų | 68.8 | 35% | 0.346 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 177.3 | -172.3 | 62.6 | 0 | 0 | 0 | 112.5 | S828 N832 F833 L834 | S828-L830 PolarHBondContact O-N 3.27Å; L830-N832 VanDerWaalsContact C-N 3.34Å; L830-N832 PolarHBondContact O-N 2.79Å; L830-F833 PolarHBondContact O-N 2.99Å; L830-L834 HydrophobicContact CD1-CG 4.49Å; L830-L834 HydrophobicContact CG-CD1 4.03Å; L830-L834 HydrophobicContact CG-CG 4.48Å; L830-L834 WeakPolarHBondContact O-CB 3.07Å; L830-L834 VanDerWaalsContact O-CG 3.28Å; L830-L834 WeakPolarHBondContact O-CG 3.31Å; L830-L834 PolarHBondContact O-N 2.8Å |
| 831 | Q | 44.1 | Very low | 38.9 | Very low | 25 Ų | 25 | 67.1 Ų | 67.1 | 12% | 0.117 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 172 | -82.3 | 175.5 | -36.4 | 0 | 0 | 112 | S828 L834 R835 A942 | S828-Q831 WeakPolarHBondContact O-CB 2.99Å; S828-Q831 PolarHBondContact O-N 3.29Å; S828-Q831 VanDerWaalsContact O-N 3.13Å; S828-Q831 WeakPolarHBondContact OG-CG 3.04Å; S828-Q831 PolarHBondContact OG-N 2.75Å; Q831-L834 PolarHBondContact O-N 2.8Å; Q831-R835 PolarHBondContact O-N 3.47Å; Q831-A942 HydrophobicContact CG-CB 3.44Å; Q831-A942 VanDerWaalsContact CG-CB 3.44Å |
| 832 | N | 47.7 | Very low | 39.2 | Very low | 12 Ų | 12 | 69.2 Ų | 69.2 | 6% | 0.064 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 179.2 | -63.9 | -20.5 | 0 | 0 | 0 | 110.9 | L821 S826 S828 I829 L830 R835 I836 | L821-N832 PolarHBondContact O-ND2 3.41Å; S826-N832 PolarHBondContact OG-OD1 3.3Å; S828-N832 PolarHBondContact O-N 2.95Å; I829-N832 PolarHBondContact O-N 3.17Å; L830-N832 VanDerWaalsContact C-N 3.34Å; L830-N832 PolarHBondContact O-N 2.79Å; N832-R835 PolarHBondContact O-N 2.03Å; N832-I836 WeakPolarHBondContact O-CB 3.49Å; N832-I836 WeakPolarHBondContact O-CD1 3.13Å; N832-I836 WeakPolarHBondContact O-CG1 3.06Å; N832-I836 PolarHBondContact O-N 2.75Å |
| 833 | F | 46 | Very low | 39.5 | Very low | 111 Ų | 111 | 73 Ų | 73 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 173.8 | -129.1 | -83.7 | 0 | 0 | 0 | 112.8 | I829 L830 R835 I836 V837 | I829-F833 PolarHBondContact O-N 2.67Å; L830-F833 PolarHBondContact O-N 2.99Å; F833-R835 VanDerWaalsContact C-N 3.29Å; F833-R835 PolarHBondContact O-N 2.96Å; F833-I836 PolarHBondContact O-N 3.26Å; F833-V837 HydrophobicContact CD1-CG2 4.07Å; F833-V837 HydrophobicContact CE1-CG2 4.03Å; F833-V837 PolarHBondContact O-N 2.87Å |
| 834 | L | 43.1 | Very low | 40 | Very low | 32 Ų | 32 | 72.1 Ų | 72.1 | 17% | 0.168 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.7 | -30.8 | 175.4 | -77.1 | 167.1 | 0 | 0 | 0 | 112.9 | L830 Q831 V840 H841 I844 | L830-L834 HydrophobicContact CD1-CG 4.49Å; L830-L834 HydrophobicContact CG-CD1 4.03Å; L830-L834 HydrophobicContact CG-CG 4.48Å; L830-L834 WeakPolarHBondContact O-CB 3.07Å; L830-L834 VanDerWaalsContact O-CG 3.28Å; L830-L834 WeakPolarHBondContact O-CG 3.31Å; L830-L834 PolarHBondContact O-N 2.8Å; Q831-L834 PolarHBondContact O-N 2.8Å; L834-V840 HydrophobicContact CD2-CB 4.18Å; L834-V840 HydrophobicContact CD2-CG1 3.79Å; L834-H841 HydrophobicContact CD2-CB 4.05Å; L834-I844 HydrophobicContact CD2-CD1 3.99Å |
| 835 | R | 40.2 | Very low | 40.3 | Very low | 127 Ų | 127 | 71.6 Ų | 71.6 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -75.6 | -39.1 | 171.4 | -83.8 | 176.8 | 154.9 | 169.4 | -8.6 | 113.2 | S826 Q831 N832 F833 | S826-R835 PolarHBondContact OG-NH1 2.81Å; S826-R835 VanDerWaalsContact OG-NH1 3.11Å; Q831-R835 PolarHBondContact O-N 3.47Å; N832-R835 PolarHBondContact O-N 2.03Å; F833-R835 VanDerWaalsContact C-N 3.29Å; F833-R835 PolarHBondContact O-N 2.96Å |
| 836 | I | 39.1 | Very low | 40.5 | Very low | 115 Ų | 115 | 75.2 Ų | 75.2 | 59% | 0.59 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -80.6 | -28.3 | -172.1 | -71 | 165.5 | 0 | 0 | 0 | 112.9 | N832 F833 P838 | N832-I836 WeakPolarHBondContact O-CB 3.49Å; N832-I836 WeakPolarHBondContact O-CD1 3.13Å; N832-I836 WeakPolarHBondContact O-CG1 3.06Å; N832-I836 PolarHBondContact O-N 2.75Å; F833-I836 PolarHBondContact O-N 3.26Å; I836-P838 WeakPolarHBondContact O-CD 3.46Å |
| 837 | V | 34.7 | Very low | 40.7 | Very low | 60 Ų | 60 | 81.8 Ų | 81.8 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -117.3 | 92.4 | -175.9 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | F833 G839 V840 | F833-V837 HydrophobicContact CD1-CG2 4.07Å; F833-V837 HydrophobicContact CE1-CG2 4.03Å; F833-V837 PolarHBondContact O-N 2.87Å; V837-G839 PolarHBondContact O-N 2.83Å; V837-G839 VanDerWaalsContact O-N 3.12Å; V837-V840 HydrophobicContact CB-CG2 3.68Å; V837-V840 HydrophobicContact CG1-CG2 3.64Å; V837-V840 PolarHBondContact O-N 3.04Å |
| 838 | P | 31.6 | Very low | 41.4 | Very low | 126 Ų | 126 | 83.5 Ų | 83.5 | 82% | 0.818 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 117.8 | 174.9 | -26 | 34.6 | 0 | 0 | 0 | 111.8 | I836 | I836-P838 WeakPolarHBondContact O-CD 3.46Š|
| 839 | G | 36.6 | Very low | 42 | Very low | 40 Ų | 40 | 88.7 Ų | 88.7 | 41% | 0.412 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 116.5 | -20.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V837 H841 K842 M843 | V837-G839 PolarHBondContact O-N 2.83Å; V837-G839 VanDerWaalsContact O-N 3.12Å; G839-H841 VanDerWaalsContact C-N 3.28Å; G839-H841 PolarHBondContact O-N 3.32Å; G839-K842 CarbonylContact O-C 3.55Å; G839-K842 WeakPolarHBondContact O-CA 3.06Å; G839-K842 WeakPolarHBondContact O-CB 3.04Å; G839-K842 PolarHBondContact O-N 3.11Å; G839-M843 PolarHBondContact O-N 3.17Å; G839-M843 VanDerWaalsContact O-N 3.16Å |
| 840 | V | 41 | Very low | 42.5 | Very low | 32 Ų | 32 | 88.8 Ų | 88.8 | 19% | 0.194 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59.6 | -40 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | L834 V837 K842 M843 I844 | L834-V840 HydrophobicContact CD2-CB 4.18Å; L834-V840 HydrophobicContact CD2-CG1 3.79Å; V837-V840 HydrophobicContact CB-CG2 3.68Å; V837-V840 HydrophobicContact CG1-CG2 3.64Å; V837-V840 PolarHBondContact O-N 3.04Å; V840-K842 PolarHBondContact O-N 2.87Å; V840-K842 VanDerWaalsContact O-N 3.15Å; V840-M843 WeakPolarHBondContact O-CA 3.44Å; V840-M843 WeakPolarHBondContact O-CB 3.04Å; V840-M843 PolarHBondContact O-N 2.8Å; V840-I844 HydrophobicContact CG1-CD1 4.29Å; V840-I844 HydrophobicContact CG1-CG1 4.42Å; V840-I844 PolarHBondContact O-N 3.3Å |
| 841 | H | 39.9 | Very low | 43.8 | Very low | 77 Ų | 77 | 86.7 Ų | 86.7 | 36% | 0.356 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.3 | -26.3 | 173.8 | -162.3 | 89.8 | 0 | 0 | 0 | 113 | L834 G839 K845 | L834-H841 HydrophobicContact CD2-CB 4.05Å; G839-H841 VanDerWaalsContact C-N 3.28Å; G839-H841 PolarHBondContact O-N 3.32Å; H841-K845 WeakPolarHBondContact O-CG 3.38Å; H841-K845 PolarHBondContact O-N 2.04Å |
| 842 | K | 39.2 | Very low | 45.1 | Very low | 169 Ų | 169 | 92.4 Ų | 92.4 | 74% | 0.735 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -85.3 | -15.4 | 174.7 | -158 | 175.9 | -174.9 | 178.7 | 0 | 113 | G839 V840 | G839-K842 CarbonylContact O-C 3.55Å; G839-K842 WeakPolarHBondContact O-CA 3.06Å; G839-K842 WeakPolarHBondContact O-CB 3.04Å; G839-K842 PolarHBondContact O-N 3.11Å; V840-K842 PolarHBondContact O-N 2.87Å; V840-K842 VanDerWaalsContact O-N 3.15Å |
| 843 | M | 38.1 | Very low | 46.3 | Very low | 131 Ų | 131 | 91.8 Ų | 91.8 | 65% | 0.645 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -82.5 | -45.5 | 168.9 | -68 | 174.9 | 59.8 | 0 | 0 | 111.3 | G839 V840 K845 K846 | G839-M843 PolarHBondContact O-N 3.17Å; G839-M843 VanDerWaalsContact O-N 3.16Å; V840-M843 WeakPolarHBondContact O-CA 3.44Å; V840-M843 WeakPolarHBondContact O-CB 3.04Å; V840-M843 PolarHBondContact O-N 2.8Å; M843-K845 VanDerWaalsContact C-N 3.3Å; M843-K845 PolarHBondContact O-N 3.41Å; M843-K846 WeakPolarHBondContact O-CB 3.32Å; M843-K846 PolarHBondContact O-N 2.96Å |
| 844 | I | 48.9 | Very low | 47.6 | Very low | 56 Ų | 56 | 90.7 Ų | 90.7 | 29% | 0.287 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 177.5 | -61.7 | -178.7 | 0 | 0 | 0 | 110.7 | L834 V840 K846 L847 | L834-I844 HydrophobicContact CD2-CD1 3.99Å; V840-I844 HydrophobicContact CG1-CD1 4.29Å; V840-I844 HydrophobicContact CG1-CG1 4.42Å; V840-I844 PolarHBondContact O-N 3.3Å; I844-K846 PolarHBondContact O-N 3.08Å; I844-L847 PolarHBondContact O-N 3.17Å |
| 845 | K | 40.7 | Very low | 48.7 | Very low | 98 Ų | 98 | 91.6 Ų | 91.6 | 43% | 0.426 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -2.3 | 174 | -77.9 | -165 | 174.3 | -139 | 0 | 116.3 | H841 M843 E913 | H841-K845 WeakPolarHBondContact O-CG 3.38Å; H841-K845 PolarHBondContact O-N 2.04Å; M843-K845 VanDerWaalsContact C-N 3.3Å; M843-K845 PolarHBondContact O-N 3.41Å; K845-E913 WeakPolarHBondContact CE-OE2 3.21Å; K845-E913 IonicContact NZ-OE1 3.41Å; K845-E913 PolarHBondContact NZ-OE1 2.81Å; K845-E913 IonicContact NZ-OE2 3.76Å; K845-E913 PolarHBondContact NZ-OE2 3.21Å |
| 846 | K | 44.1 | Very low | 50 | Low | 187 Ų | 187 | 96.4 Ų | 96.4 | 81% | 0.813 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -5.1 | 170.9 | -77.1 | -167.5 | 169.1 | -166.7 | 0 | 114.2 | M843 I844 | M843-K846 WeakPolarHBondContact O-CB 3.32Å; M843-K846 PolarHBondContact O-N 2.96Å; I844-K846 PolarHBondContact O-N 3.08Å |
| 847 | L | 42.3 | Very low | 51.6 | Low | 140 Ų | 140 | 93.2 Ų | 93.2 | 73% | 0.733 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -21.4 | -166.2 | -73.7 | 167.3 | 0 | 0 | 0 | 115.7 | I844 | I844-L847 PolarHBondContact O-N 3.17Š|
| 848 | Q | 50.1 | Low | 53.3 | Low | 91 Ų | 91 | 90.6 Ų | 90.6 | 43% | 0.425 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -139 | 153.7 | 177.4 | -79.3 | -167 | -73.8 | 0 | 0 | 113.1 | ||
| 849 | P | 49.5 | Very low | 54.7 | Low | 114 Ų | 114 | 89 Ų | 89 | 74% | 0.74 | 43% | 0.433 | S | S | * | . | trans | -71.4 | 148.9 | 177.1 | 30.8 | -35.3 | 0 | 0 | 0 | 112.1 | ||||
| 850 | L | 52.6 | Low | 56 | Low | 55 Ų | 55 | 89.4 Ų | 89.4 | 29% | 0.288 | 44% | 0.437 | S | S | . | . | trans | -107.2 | 142.9 | 177.4 | -71.9 | 162.1 | 0 | 0 | 0 | 110.4 | H900 E913 | L850-H900 PolarHBondContact O-CE1 3.15Å; L850-E913 HydrophobicContact CD2-CB 4.44Å | ||
| 851 | A | 69.7 | Low | 56.8 | Low | 22 Ų | 22 | 94.8 Ų | 94.8 | 18% | 0.182 | 46% | 0.458 | C | S | . | . | trans | -63.2 | 150.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H900 I915 | A851-H900 PolarHBondContact O-CE1 2.82Å; A851-H900 PolarHBondContact O-ND1 3.33Å; A851-I915 WeakPolarHBondContact CB-O 3.15Å | ||
| 852 | K | 71.7 | Confident | 57.5 | Low | 145 Ų | 145 | 92.2 Ų | 92.2 | 63% | 0.63 | 45% | 0.445 | S | S | * | . | trans | -104.1 | 97.6 | 179.2 | -74.8 | 179 | 163.7 | -167.7 | 0 | 110.7 | Q899 | K852-Q899 HydrophobicContact CB-CB 4.16Å; K852-Q899 VanDerWaalsContact CD-OE1 3.25Å; K852-Q899 HydrophobicContact CG-CB 4.18Å | ||
| 853 | V | 72.9 | Confident | 58.1 | Low | 0 Ų | 0 | 93.2 Ų | 93.2 | 0% | 0 | 45% | 0.446 | C | S | . | . | trans | -87.3 | 136.3 | -177.2 | -166.5 | 0 | 0 | 0 | 0 | 110.2 | P855 L858 Q899 V901 V914 V917 Y933 | V853-P855 VanDerWaalsContact O-CD 3.31Å; V853-P855 WeakPolarHBondContact O-CD 3.39Å; V853-L858 HydrophobicContact CG1-CD1 3.85Å; V853-L858 HydrophobicContact CG1-CD2 3.94Å; V853-L858 HydrophobicContact CG1-CG 3.9Å; V853-Q899 PolarHBondContact N-O 2.97Å; V853-V901 HydrophobicContact CB-CG2 3.93Å; V853-V901 HydrophobicContact CG1-CG2 4.29Å; V853-V901 HydrophobicContact CG2-CB 4.43Å; V853-V901 HydrophobicContact CG2-CG2 4.1Å; V853-V914 HydrophobicContact CG2-CB 3.88Å; V853-V914 HydrophobicContact CG2-CG1 3.57Å; V853-V914 HydrophobicContact CG2-CG2 4.36Å; V853-V917 HydrophobicContact CG2-CG1 4.22Å; V853-Y933 HydrophobicContact CG1-CE2 3.87Å | ||
| 854 | K | 73.8 | Confident | 59 | Low | 87 Ų | 87 | 87.4 Ų | 87.4 | 38% | 0.378 | 42% | 0.417 | S | S | . | . | trans | -88.2 | 104.7 | 170.1 | -67.8 | 179 | -177.2 | 175.3 | 0 | 108.7 | R856 R857 E922 Y933 | K854-R856 VanDerWaalsContact C-N 3.25Å; K854-R856 PolarHBondContact O-N 3.45Å; K854-R857 HydrophobicContact CB-CG 4.33Å; K854-R857 PolarHBondContact O-N 3.13Å; K854-E922 IonicContact NZ-OE1 2.66Å; K854-E922 PolarHBondContact NZ-OE1 2.86Å; K854-Y933 PolarHBondContact N-OH 3.08Å; K854-Y933 VanDerWaalsContact N-OH 3.11Å | ||
| 855 | P | 66.3 | Low | 59 | Low | 51 Ų | 51 | 94.4 Ų | 94.4 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -61.7 | -28.4 | -163.6 | -26.1 | 36.2 | 0 | 0 | 0 | 114.9 | V853 R857 L858 V896 | V853-P855 VanDerWaalsContact O-CD 3.31Å; V853-P855 WeakPolarHBondContact O-CD 3.39Å; P855-R857 VanDerWaalsContact C-N 3.31Å; P855-R857 PolarHBondContact O-N 3.16Å; P855-L858 WeakPolarHBondContact O-CB 3.45Å; P855-L858 PolarHBondContact O-N 3.34Å; P855-V896 HydrophobicContact CB-CG1 4.15Å; P855-V896 HydrophobicContact CB-CG2 4.37Å; P855-V896 HydrophobicContact CG-CG1 3.57Å |
| 856 | R | 67.7 | Low | 59.3 | Low | 228 Ų | 228 | 92.2 Ų | 92.2 | 86% | 0.86 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -62.3 | -33.6 | 174.3 | -71.3 | -176.7 | 177.8 | 165.2 | -0.2 | 113.2 | K854 L858 M859 | K854-R856 VanDerWaalsContact C-N 3.25Å; K854-R856 PolarHBondContact O-N 3.45Å; R856-L858 PolarHBondContact O-N 2.03Å; R856-M859 PolarHBondContact O-N 3.41Å |
| 857 | R | 73.1 | Confident | 59.4 | Low | 49 Ų | 49 | 88.1 Ų | 88.1 | 19% | 0.185 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -76.9 | -4.2 | 179.8 | -63.6 | -166.7 | 79.3 | -156.5 | -2.8 | 113.7 | K854 P855 N920 S931 Q932 Y933 | K854-R857 HydrophobicContact CB-CG 4.33Å; K854-R857 PolarHBondContact O-N 3.13Å; P855-R857 VanDerWaalsContact C-N 3.31Å; P855-R857 PolarHBondContact O-N 3.16Å; R857-N920 PolarHBondContact NH1-OD1 2.89Å; R857-N920 PolarHBondContact NH2-OD1 3.25Å; R857-S931 WeakPolarHBondContact CG-O 3.41Å; R857-S931 PolarHBondContact NE-O 3.28Å; R857-S931 PolarHBondContact NH2-OG 2.89Å; R857-Q932 WeakPolarHBondContact O-CA 3.22Å; R857-Q932 WeakPolarHBondContact O-CG 3.45Å; R857-Y933 HydrophobicContact CB-CD2 3.56Å; R857-Y933 HydrophobicContact CB-CE2 3.43Å; R857-Y933 VanDerWaalsContact CB-CE2 3.43Å; R857-Y933 HydrophobicContact CB-CG 4.25Å; R857-Y933 VanDerWaalsContact O-CD2 3.32Å; R857-Y933 WeakPolarHBondContact O-CD2 3.48Å; R857-Y933 PolarHBondContact O-N 2.91Å; R857-Y933 VanDerWaalsContact O-N 3.13Å |
| 858 | L | 69.3 | Low | 59.7 | Low | 4 Ų | 4 | 93.6 Ų | 93.6 | 2% | 0.021 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -81.2 | -24.9 | 169 | -64.1 | 169.9 | 0 | 0 | 0 | 112 | V853 P855 R856 W864 V901 Q932 Y933 V936 | V853-L858 HydrophobicContact CG1-CD1 3.85Å; V853-L858 HydrophobicContact CG1-CD2 3.94Å; V853-L858 HydrophobicContact CG1-CG 3.9Å; P855-L858 WeakPolarHBondContact O-CB 3.45Å; P855-L858 PolarHBondContact O-N 3.34Å; R856-L858 PolarHBondContact O-N 2.03Å; L858-W864 HydrophobicContact CB-CB 4.49Å; L858-W864 HydrophobicContact CB-CE3 4.04Å; L858-W864 HydrophobicContact CD1-CE3 3.84Å; L858-W864 HydrophobicContact CD1-CZ3 4.04Å; L858-W864 HydrophobicContact CD2-CE3 4.19Å; L858-W864 HydrophobicContact CD2-CZ3 4.16Å; L858-W864 HydrophobicContact CG-CE3 4.25Å; L858-V901 HydrophobicContact CD1-CG1 4.49Å; L858-V901 HydrophobicContact CD1-CG2 4.2Å; L858-Q932 PolarHBondContact O-NE2 3.42Å; L858-Y933 HydrophobicContact CD2-CD2 4.22Å; L858-Y933 HydrophobicContact CD2-CE2 4.46Å; L858-V936 HydrophobicContact CD2-CG2 4.18Å |
| 859 | M | 61 | Low | 59.8 | Low | 93 Ų | 93 | 93.4 Ų | 93.4 | 46% | 0.458 | 44% | 0.443 | S | S | . | . | trans | -78.4 | 128.8 | -177.4 | -52.7 | -166.8 | 74.6 | 0 | 0 | 110.3 | R856 | R856-M859 PolarHBondContact O-N 3.41Š| ||
| 860 | G | 64.6 | Low | 60.1 | Low | 48 Ų | 48 | 89 Ų | 89 | 50% | 0.495 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 163.2 | -126.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W862 | G860-W862 PolarHBondContact O-N 3.38Š|
| 861 | K | 57.5 | Low | 59.9 | Low | 145 Ų | 145 | 88.7 Ų | 88.7 | 63% | 0.63 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -63.7 | -20.1 | -179.5 | -154 | -179.6 | 178.6 | -173.5 | 0 | 113 | K951 | K861-K951 HydrophobicContact CD-CG 4.45Å; K861-K951 VanDerWaalsContact CD-O 3.25Å; K861-K951 WeakPolarHBondContact CD-O 3.05Å; K861-K951 WeakPolarHBondContact CE-O 3.07Å; K861-K951 PolarHBondContact NZ-O 3.01Å |
| 862 | W | 55 | Low | 59.6 | Low | 24 Ų | 24 | 88 Ų | 88 | 9% | 0.091 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -97.8 | 131.2 | 165.5 | -43.2 | -35.5 | 0 | 0 | 0 | 109 | G860 W864 V936 L949 A950 K951 | G860-W862 PolarHBondContact O-N 3.38Å; W862-W864 VanDerWaalsContact CB-CD1 3.42Å; W862-W864 HydrophobicContact CB-CG 4.41Å; W862-W864 PolarHBondContact O-N 3.16Å; W862-V936 HydrophobicContact CH2-CB 3.84Å; W862-V936 HydrophobicContact CH2-CG2 3.72Å; W862-V936 HydrophobicContact CZ3-CB 3.92Å; W862-V936 HydrophobicContact CZ3-CG2 3.63Å; W862-L949 HydrophobicContact CH2-CB 3.83Å; W862-L949 WeakPolarHBondContact CH2-O 3.15Å; W862-L949 HydrophobicContact CZ2-CB 3.74Å; W862-L949 WeakPolarHBondContact CZ2-O 3.1Å; W862-L949 HydrophobicContact CZ3-CB 4.33Å; W862-A950 PolarHBondContact NE1-O 3.46Å; W862-A950 VanDerWaalsContact NE1-O 3.08Å; W862-K951 HydrophobicContact CZ2-CB 4.47Å |
| 863 | Y | 51.2 | Low | 58.9 | Low | 189 Ų | 189 | 83.8 Ų | 83.8 | 74% | 0.741 | 40% | 0.403 | S | S | * | . | trans | -77.5 | 51.6 | -169.9 | -99.7 | -90.4 | 0 | 0 | 0 | 115.4 | R865 | Y863-R865 PolarHBondContact O-N 2.79Š| ||
| 864 | W | 56.3 | Low | 58.2 | Low | 9 Ų | 9 | 84.6 Ų | 84.6 | 3% | 0.034 | 41% | 0.407 | C | S | . | . | trans | -85 | 68.6 | -171.1 | -70.2 | 40.9 | 0 | 0 | 0 | 111.9 | L858 W862 A866 F872 I874 V901 V903 L949 | L858-W864 HydrophobicContact CB-CB 4.49Å; L858-W864 HydrophobicContact CB-CE3 4.04Å; L858-W864 HydrophobicContact CD1-CE3 3.84Å; L858-W864 HydrophobicContact CD1-CZ3 4.04Å; L858-W864 HydrophobicContact CD2-CE3 4.19Å; L858-W864 HydrophobicContact CD2-CZ3 4.16Å; L858-W864 HydrophobicContact CG-CE3 4.25Å; W862-W864 VanDerWaalsContact CB-CD1 3.42Å; W862-W864 HydrophobicContact CB-CG 4.41Å; W862-W864 PolarHBondContact O-N 3.16Å; W864-A866 PolarHBondContact O-N 3.18Å; W864-F872 HydrophobicContact CB-CD2 4.13Å; W864-F872 HydrophobicContact CD2-CD2 4.04Å; W864-F872 AromaticContact CD2-CE2 3.65Å; W864-F872 HydrophobicContact CD2-CE2 3.65Å; W864-F872 HydrophobicContact CD2-CZ 4.44Å; W864-F872 AromaticContact CE3-CD2 3.76Å; W864-F872 HydrophobicContact CE3-CD2 3.76Å; W864-F872 HydrophobicContact CE3-CE1 4.41Å; W864-F872 AromaticContact CE3-CE2 3.04Å; W864-F872 HydrophobicContact CE3-CE2 3.04Å; W864-F872 AromaticContact CE3-CZ 3.44Å; W864-F872 HydrophobicContact CE3-CZ 3.44Å; W864-F872 VanDerWaalsContact CE3-CZ 3.44Å; W864-F872 HydrophobicContact CG-CD2 4.24Å; W864-F872 HydrophobicContact CG-CE2 4.32Å; W864-F872 HydrophobicContact CH2-CE2 4.15Å; W864-F872 HydrophobicContact CH2-CZ 4.44Å; W864-F872 HydrophobicContact CZ3-CD2 4.45Å; W864-F872 AromaticContact CZ3-CE2 3.35Å; W864-F872 HydrophobicContact CZ3-CE2 3.35Å; W864-F872 AromaticContact CZ3-CZ 3.44Å; W864-F872 HydrophobicContact CZ3-CZ 3.44Å; W864-F872 VanDerWaalsContact CZ3-CZ 3.44Å; W864-I874 HydrophobicContact CH2-CD1 4.41Å; W864-I874 HydrophobicContact CZ2-CD1 4.3Å; W864-I874 HydrophobicContact CZ2-CG2 4.27Å; W864-V901 HydrophobicContact CZ3-CG1 4.35Å; W864-V903 HydrophobicContact CH2-CG2 3.95Å; W864-V903 HydrophobicContact CZ3-CG2 4.28Å; W864-L949 HydrophobicContact CH2-CD1 4.14Å; W864-L949 HydrophobicContact CZ2-CD1 3.56Å | ||
| 865 | R | 48.9 | Very low | 57.3 | Low | 203 Ų | 203 | 85 Ų | 85 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | trans | -78.7 | 98.5 | -173.2 | -169.1 | 177.2 | -173 | 169.5 | 4 | 112.8 | Y863 F872 | Y863-R865 PolarHBondContact O-N 2.79Å; R865-F872 VanDerWaalsContact O-CA 3.32Å; R865-F872 WeakPolarHBondContact O-CA 3.23Å; R865-F872 WeakPolarHBondContact O-CB 3.14Å | ||
| 866 | A | 48.5 | Very low | 56.6 | Low | 52 Ų | 52 | 85 Ų | 85 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -75.8 | 135.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | W864 T871 F872 | W864-A866 PolarHBondContact O-N 3.18Å; A866-T871 WeakPolarHBondContact CA-O 3.42Å; A866-F872 HydrophobicContact CB-CB 4.16Å |
| 867 | N | 46.6 | Very low | 56.1 | Low | 102 Ų | 102 | 77.4 Ų | 77.4 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | trans | -90.2 | 163.2 | 165.1 | -171.9 | 13.4 | 0 | 0 | 0 | 110.4 | T869 G870 T871 | N867-T869 WeakPolarHBondContact CB-OG1 3.3Å; N867-T869 PolarHBondContact ND2-OG1 2.69Å; N867-T869 VanDerWaalsContact ND2-OG1 3.11Å; N867-T869 PolarHBondContact O-N 3.48Å; N867-G870 PolarHBondContact O-N 2.03Å; N867-T871 PolarHBondContact N-O 3.29Å | ||
| 868 | R | 48.2 | Very low | 55.5 | Low | 255 Ų | 255 | 78.8 Ų | 78.8 | 96% | 0.962 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.2 | 175 | -63.2 | -170.3 | -174.5 | -169.9 | 4.7 | 113.6 | G870 | R868-G870 PolarHBondContact O-N 3.26Š|
| 869 | T | 50.6 | Low | 55.1 | Low | 87 Ų | 87 | 85.1 Ų | 85.1 | 53% | 0.534 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 2 | 174.2 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | N867 T871 | N867-T869 WeakPolarHBondContact CB-OG1 3.3Å; N867-T869 PolarHBondContact ND2-OG1 2.69Å; N867-T869 VanDerWaalsContact ND2-OG1 3.11Å; N867-T869 PolarHBondContact O-N 3.48Å; T869-T871 PolarHBondContact O-N 2.95Å; T869-T871 PolarHBondContact OG1-OG1 2.83Å |
| 870 | G | 55.9 | Low | 54.8 | Low | 20 Ų | 20 | 82.6 Ų | 82.6 | 21% | 0.206 | 41% | 0.411 | C | S | . | . | S | Bend | trans | 76.5 | -1.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N867 R868 V896 | N867-G870 PolarHBondContact O-N 2.03Å; R868-G870 PolarHBondContact O-N 3.26Å; G870-V896 PolarHBondContact O-N 2.94Å |
| 871 | T | 50.2 | Low | 54.2 | Low | 50 Ų | 50 | 81.2 Ų | 81.2 | 31% | 0.307 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 136.4 | 174.1 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | A866 N867 T869 G894 L895 | A866-T871 WeakPolarHBondContact CA-O 3.42Å; N867-T871 PolarHBondContact N-O 3.29Å; T869-T871 PolarHBondContact O-N 2.95Å; T869-T871 PolarHBondContact OG1-OG1 2.83Å; T871-G894 CarbonylContact C-O 3.49Å; T871-G894 WeakPolarHBondContact CA-O 3.42Å; T871-L895 HydrophobicContact CG2-CD2 3.48Å; T871-L895 VanDerWaalsContact CG2-CD2 3.48Å |
| 872 | F | 61.4 | Low | 54.2 | Low | 8 Ų | 8 | 76.7 Ų | 76.7 | 4% | 0.035 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 149.7 | 167.4 | 58 | -88.7 | 0 | 0 | 0 | 111.5 | W864 R865 A866 I874 Y893 G894 V896 V901 V903 | W864-F872 HydrophobicContact CB-CD2 4.13Å; W864-F872 HydrophobicContact CD2-CD2 4.04Å; W864-F872 AromaticContact CD2-CE2 3.65Å; W864-F872 HydrophobicContact CD2-CE2 3.65Å; W864-F872 HydrophobicContact CD2-CZ 4.44Å; W864-F872 AromaticContact CE3-CD2 3.76Å; W864-F872 HydrophobicContact CE3-CD2 3.76Å; W864-F872 HydrophobicContact CE3-CE1 4.41Å; W864-F872 AromaticContact CE3-CE2 3.04Å; W864-F872 HydrophobicContact CE3-CE2 3.04Å; W864-F872 AromaticContact CE3-CZ 3.44Å; W864-F872 HydrophobicContact CE3-CZ 3.44Å; W864-F872 VanDerWaalsContact CE3-CZ 3.44Å; W864-F872 HydrophobicContact CG-CD2 4.24Å; W864-F872 HydrophobicContact CG-CE2 4.32Å; W864-F872 HydrophobicContact CH2-CE2 4.15Å; W864-F872 HydrophobicContact CH2-CZ 4.44Å; W864-F872 HydrophobicContact CZ3-CD2 4.45Å; W864-F872 AromaticContact CZ3-CE2 3.35Å; W864-F872 HydrophobicContact CZ3-CE2 3.35Å; W864-F872 AromaticContact CZ3-CZ 3.44Å; W864-F872 HydrophobicContact CZ3-CZ 3.44Å; W864-F872 VanDerWaalsContact CZ3-CZ 3.44Å; R865-F872 VanDerWaalsContact O-CA 3.32Å; R865-F872 WeakPolarHBondContact O-CA 3.23Å; R865-F872 WeakPolarHBondContact O-CB 3.14Å; A866-F872 HydrophobicContact CB-CB 4.16Å; F872-I874 HydrophobicContact CD2-CD1 4.31Å; F872-I874 HydrophobicContact CD2-CG1 3.74Å; F872-I874 HydrophobicContact CE2-CD1 3.67Å; F872-I874 HydrophobicContact CE2-CG1 3.59Å; F872-Y893 CarbonylContact O-C 3.27Å; F872-Y893 WeakPolarHBondContact O-CA 3.32Å; F872-Y893 WeakPolarHBondContact O-CB 3.33Å; F872-G894 WeakPolarHBondContact CD1-O 3.38Å; F872-G894 VanDerWaalsContact CZ-CA 3.45Å; F872-G894 PolarHBondContact N-O 2.04Å; F872-G894 PolarHBondContact O-N 2.87Å; F872-V896 HydrophobicContact CD1-CG2 3.77Å; F872-V896 HydrophobicContact CE1-CG2 3.63Å; F872-V901 HydrophobicContact CE1-CG1 3.84Å; F872-V901 HydrophobicContact CZ-CG1 3.58Å; F872-V903 HydrophobicContact CZ-CG2 4.42Å |
| 873 | A | 58.8 | Low | 54.1 | Low | 55 Ų | 55 | 78.7 Ų | 78.7 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 155.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 874 | I | 58.2 | Low | 54.5 | Low | 17 Ų | 17 | 78.8 Ų | 78.8 | 9% | 0.087 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.2 | 177.1 | -48.4 | 169.7 | 0 | 0 | 0 | 108.2 | W864 F872 N876 G892 V903 | W864-I874 HydrophobicContact CH2-CD1 4.41Å; W864-I874 HydrophobicContact CZ2-CD1 4.3Å; W864-I874 HydrophobicContact CZ2-CG2 4.27Å; F872-I874 HydrophobicContact CD2-CD1 4.31Å; F872-I874 HydrophobicContact CD2-CG1 3.74Å; F872-I874 HydrophobicContact CE2-CD1 3.67Å; F872-I874 HydrophobicContact CE2-CG1 3.59Å; I874-N876 HydrophobicContact CG2-CB 4.43Å; I874-G892 PolarHBondContact N-O 2.87Å; I874-G892 PolarHBondContact O-N 2.85Å; I874-V903 HydrophobicContact CD1-CB 4.3Å; I874-V903 HydrophobicContact CD1-CG1 3.55Å; I874-V903 HydrophobicContact CD1-CG2 3.98Å |
| 875 | I | 53.3 | Low | 54.4 | Low | 96 Ų | 96 | 79 Ų | 79 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.2 | 165.5 | -52.5 | 178.2 | 0 | 0 | 0 | 105.3 | L889 F891 | I875-L889 HydrophobicContact CG2-CD2 4.49Å; I875-F891 HydrophobicContact CD1-CE1 4.27Å; I875-F891 HydrophobicContact CG1-CD1 4.02Å; I875-F891 HydrophobicContact CG1-CE1 4.14Å; I875-F891 HydrophobicContact CG2-CD1 4.23Å; I875-F891 HydrophobicContact CG2-CE1 3.87Å |
| 876 | N | 52 | Low | 54.1 | Low | 50 Ų | 50 | 76.4 Ų | 76.4 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 155.4 | -175.8 | -169 | 34.2 | 0 | 0 | 0 | 111.7 | I874 L889 G890 L949 | I874-N876 HydrophobicContact CG2-CB 4.43Å; N876-L889 WeakPolarHBondContact O-CA 3.36Å; N876-G890 PolarHBondContact N-O 3.05Å; N876-G890 VanDerWaalsContact N-O 3.09Å; N876-G890 PolarHBondContact O-N 3.44Å; N876-L949 VanDerWaalsContact ND2-CD2 3.32Å; N876-L949 WeakPolarHBondContact ND2-CD2 3.48Å |
| 877 | S | 56.8 | Low | 54.3 | Low | 69 Ų | 69 | 77.4 Ų | 77.4 | 48% | 0.483 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.6 | 170.7 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | K888 | S877-K888 VanDerWaalsContact CA-O 3.28Å; S877-K888 WeakPolarHBondContact CA-O 3.38Å |
| 878 | F | 60.9 | Low | 54.4 | Low | 78 Ų | 78 | 77.8 Ų | 77.8 | 34% | 0.342 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.4 | 178 | 57.6 | -89.1 | 0 | 0 | 0 | 111.1 | P887 K888 | F878-P887 CarbonylContact O-C 3.6Å; F878-P887 WeakPolarHBondContact O-CA 3.34Å; F878-K888 WeakPolarHBondContact CD1-O 3.45Å; F878-K888 HydrophobicContact CD2-CB 4.25Å; F878-K888 HydrophobicContact CE1-CB 4.24Å; F878-K888 HydrophobicContact CE2-CB 3.8Å; F878-K888 HydrophobicContact CE2-CD 3.94Å; F878-K888 HydrophobicContact CE2-CG 4.48Å; F878-K888 HydrophobicContact CZ-CB 3.8Å; F878-K888 HydrophobicContact CZ-CD 4.39Å; F878-K888 PolarHBondContact N-O 2.75Å; F878-K888 PolarHBondContact O-N 2.57Å |
| 879 | R | 60.9 | Low | 54.4 | Low | 137 Ų | 137 | 71 Ų | 71 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.6 | -179.5 | -61.1 | -178.8 | -179.4 | -105.5 | 15.6 | 109.8 | Q883 G885 P887 | R879-Q883 WeakPolarHBondContact CD-O 3.46Å; R879-Q883 PolarHBondContact NE-O 2.97Å; R879-G885 VanDerWaalsContact CD-O 3.28Å; R879-G885 WeakPolarHBondContact CD-O 3.45Å; R879-G885 VanDerWaalsContact CG-O 3.27Å; R879-G885 WeakPolarHBondContact CG-O 3.24Å; R879-G885 PolarHBondContact NH1-O 2.04Å; R879-P887 HydrophobicContact CG-CB 4.43Å |
| 880 | D | 54.3 | Low | 54.4 | Low | 40 Ų | 40 | 67.4 Ų | 67.4 | 21% | 0.214 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -83.1 | 147.3 | 175.3 | -75.8 | -46.7 | 0 | 0 | 0 | 112.1 | S882 G885 K888 | D880-S882 PolarHBondContact O-N 3.47Å; D880-G885 WeakPolarHBondContact O-CA 3.09Å; D880-K888 VanDerWaalsContact OD2-CE 3.25Å; D880-K888 WeakPolarHBondContact OD2-CE 3.46Å; D880-K888 IonicContact OD2-NZ 3.17Å; D880-K888 PolarHBondContact OD2-NZ 2.92Å |
| 881 | G | 53.9 | Low | 54.5 | Low | 20 Ų | 20 | 71.4 Ų | 71.4 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | S | Bend | trans | 72.3 | -42.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | T986 A987 | G881-T986 WeakPolarHBondContact O-CB 3.37Å; G881-T986 PolarHBondContact O-OG1 2.84Å; G881-A987 PolarHBondContact N-O 3.45Å |
| 882 | S | 56.6 | Low | 55.3 | Low | 49 Ų | 49 | 69.6 Ų | 69.6 | 34% | 0.343 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -162.3 | 175.6 | -179.6 | 70.9 | 0 | 0 | 0 | 0 | 113.3 | D880 Y884 G885 | D880-S882 PolarHBondContact O-N 3.47Å; S882-Y884 PolarHBondContact O-N 3.03Å; S882-Y884 VanDerWaalsContact O-N 3.13Å; S882-Y884 PolarHBondContact OG-N 2.91Å; S882-Y884 VanDerWaalsContact OG-N 3.14Å; S882-G885 PolarHBondContact O-N 3.07Å |
| 883 | Q | 52.4 | Low | 55.8 | Low | 67 Ų | 67 | 74.4 Ų | 74.4 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -22 | 169 | 69.7 | -173.3 | 6 | 0 | 0 | 114 | R879 F957 | R879-Q883 WeakPolarHBondContact CD-O 3.46Å; R879-Q883 PolarHBondContact NE-O 2.97Å; Q883-F957 HydrophobicContact CB-CE2 4.47Å |
| 884 | Y | 60.6 | Low | 56.4 | Low | 191 Ų | 191 | 71.8 Ų | 71.8 | 75% | 0.749 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -4 | 176.9 | -52.4 | -62.3 | 0 | 0 | 0 | 113.5 | S882 | S882-Y884 PolarHBondContact O-N 3.03Å; S882-Y884 VanDerWaalsContact O-N 3.13Å; S882-Y884 PolarHBondContact OG-N 2.91Å; S882-Y884 VanDerWaalsContact OG-N 3.14Å |
| 885 | G | 52.9 | Low | 57.2 | Low | 12 Ų | 12 | 74 Ų | 74 | 12% | 0.124 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -61.3 | 152.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R879 D880 S882 | R879-G885 VanDerWaalsContact CD-O 3.28Å; R879-G885 WeakPolarHBondContact CD-O 3.45Å; R879-G885 VanDerWaalsContact CG-O 3.27Å; R879-G885 WeakPolarHBondContact CG-O 3.24Å; R879-G885 PolarHBondContact NH1-O 2.04Å; D880-G885 WeakPolarHBondContact O-CA 3.09Å; S882-G885 PolarHBondContact O-N 3.07Å |
| 886 | L | 43.4 | Very low | 58 | Low | 150 Ų | 150 | 71 Ų | 71 | 79% | 0.785 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 131.6 | 176 | -77.6 | 166.6 | 0 | 0 | 0 | 110.8 | K888 | L886-K888 PolarHBondContact O-N 3.39Š|
| 887 | P | 51.8 | Low | 58.8 | Low | 72 Ų | 72 | 75 Ų | 75 | 47% | 0.468 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 123.8 | 179.1 | 29.6 | -33.2 | 0 | 0 | 0 | 111.6 | F878 R879 | F878-P887 CarbonylContact O-C 3.6Å; F878-P887 WeakPolarHBondContact O-CA 3.34Å; R879-P887 HydrophobicContact CG-CB 4.43Å |
| 888 | K | 49.1 | Very low | 59.5 | Low | 110 Ų | 110 | 74.5 Ų | 74.5 | 48% | 0.478 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 131.2 | 170.9 | -70.2 | 173.7 | 176 | 171.3 | 0 | 109.7 | S877 F878 D880 L886 | S877-K888 VanDerWaalsContact CA-O 3.28Å; S877-K888 WeakPolarHBondContact CA-O 3.38Å; F878-K888 WeakPolarHBondContact CD1-O 3.45Å; F878-K888 HydrophobicContact CD2-CB 4.25Å; F878-K888 HydrophobicContact CE1-CB 4.24Å; F878-K888 HydrophobicContact CE2-CB 3.8Å; F878-K888 HydrophobicContact CE2-CD 3.94Å; F878-K888 HydrophobicContact CE2-CG 4.48Å; F878-K888 HydrophobicContact CZ-CB 3.8Å; F878-K888 HydrophobicContact CZ-CD 4.39Å; F878-K888 PolarHBondContact N-O 2.75Å; F878-K888 PolarHBondContact O-N 2.57Å; D880-K888 VanDerWaalsContact OD2-CE 3.25Å; D880-K888 WeakPolarHBondContact OD2-CE 3.46Å; D880-K888 IonicContact OD2-NZ 3.17Å; D880-K888 PolarHBondContact OD2-NZ 2.92Å; L886-K888 PolarHBondContact O-N 3.39Å |
| 889 | L | 47.7 | Very low | 60 | Low | 114 Ų | 114 | 75.1 Ų | 75.1 | 60% | 0.597 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 132.2 | 173.6 | -106.6 | 76.7 | 0 | 0 | 0 | 111.4 | I875 N876 F891 | I875-L889 HydrophobicContact CG2-CD2 4.49Å; N876-L889 WeakPolarHBondContact O-CA 3.36Å; L889-F891 HydrophobicContact CB-CE2 4.48Å; L889-F891 HydrophobicContact CD2-CE2 4.34Å; L889-F891 HydrophobicContact CD2-CZ 3.95Å |
| 890 | G | 51.6 | Low | 60.5 | Low | 10 Ų | 10 | 71.9 Ų | 71.9 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N876 | N876-G890 PolarHBondContact N-O 3.05Å; N876-G890 VanDerWaalsContact N-O 3.09Å; N876-G890 PolarHBondContact O-N 3.44Å |
| 891 | F | 58.5 | Low | 61.5 | Low | 104 Ų | 104 | 70.1 Ų | 70.1 | 46% | 0.456 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136 | 176.1 | -65.1 | -84.8 | 0 | 0 | 0 | 109.6 | I875 L889 Q906 | I875-F891 HydrophobicContact CD1-CE1 4.27Å; I875-F891 HydrophobicContact CG1-CD1 4.02Å; I875-F891 HydrophobicContact CG1-CE1 4.14Å; I875-F891 HydrophobicContact CG2-CD1 4.23Å; I875-F891 HydrophobicContact CG2-CE1 3.87Å; L889-F891 HydrophobicContact CB-CE2 4.48Å; L889-F891 HydrophobicContact CD2-CE2 4.34Å; L889-F891 HydrophobicContact CD2-CZ 3.95Å; F891-Q906 WeakPolarHBondContact O-CB 3.31Å; F891-Q906 WeakPolarHBondContact O-CG 3.44Å; F891-Q906 PolarHBondContact O-N 3.34Å |
| 892 | G | 66.7 | Low | 62.6 | Low | 13 Ų | 13 | 70.1 Ų | 70.1 | 13% | 0.134 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | -176.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I874 Y904 | I874-G892 PolarHBondContact N-O 2.87Å; I874-G892 PolarHBondContact O-N 2.85Å; G892-Y904 CarbonylContact C-O 3.35Å; G892-Y904 WeakPolarHBondContact CA-O 3.22Å |
| 893 | Y | 72.5 | Confident | 63.5 | Low | 108 Ų | 108 | 68.3 Ų | 68.3 | 42% | 0.424 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 152.6 | 170.1 | 67.1 | -91 | 0 | 0 | 0 | 110 | F872 Y904 | F872-Y893 CarbonylContact O-C 3.27Å; F872-Y893 WeakPolarHBondContact O-CA 3.32Å; F872-Y893 WeakPolarHBondContact O-CB 3.33Å; Y893-Y904 HydrophobicContact CD2-CD2 4.21Å; Y893-Y904 AromaticContact CE2-CD2 3.67Å; Y893-Y904 HydrophobicContact CE2-CD2 3.67Å; Y893-Y904 HydrophobicContact CE2-CE2 4.36Å; Y893-Y904 AromaticContact CE2-CG 3.82Å; Y893-Y904 HydrophobicContact CE2-CG 3.82Å; Y893-Y904 AromaticContact CZ-CG 3.81Å; Y893-Y904 PolarHBondContact N-O 2.67Å; Y893-Y904 WeakPolarHBondContact O-CA 3.37Å; Y893-Y904 WeakPolarHBondContact O-CB 3.4Å; Y893-Y904 PolarHBondContact O-N 3.07Å |
| 894 | G | 71.2 | Confident | 64.4 | Low | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 156.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T871 F872 T902 | T871-G894 CarbonylContact C-O 3.49Å; T871-G894 WeakPolarHBondContact CA-O 3.42Å; F872-G894 WeakPolarHBondContact CD1-O 3.38Å; F872-G894 VanDerWaalsContact CZ-CA 3.45Å; F872-G894 PolarHBondContact N-O 2.04Å; F872-G894 PolarHBondContact O-N 2.87Å; G894-T902 CarbonylContact C-O 3.54Å; G894-T902 WeakPolarHBondContact CA-O 3.28Å |
| 895 | L | 73.8 | Confident | 64.8 | Low | 65 Ų | 65 | 61.8 Ų | 61.8 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.6 | 175.4 | -73.4 | 171.5 | 0 | 0 | 0 | 109.1 | T871 V901 T902 Y904 | T871-L895 HydrophobicContact CG2-CD2 3.48Å; T871-L895 VanDerWaalsContact CG2-CD2 3.48Å; L895-V901 WeakPolarHBondContact O-CA 3.33Å; L895-T902 PolarHBondContact N-O 2.89Å; L895-T902 PolarHBondContact O-N 3.01Å; L895-Y904 HydrophobicContact CD1-CE2 3.85Å; L895-Y904 HydrophobicContact CG-CE2 4.35Å |
| 896 | V | 70.8 | Confident | 65.2 | Low | 33 Ų | 33 | 68.6 Ų | 68.6 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 112.2 | 167.1 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | P855 G870 F872 G898 V901 | P855-V896 HydrophobicContact CB-CG1 4.15Å; P855-V896 HydrophobicContact CB-CG2 4.37Å; P855-V896 HydrophobicContact CG-CG1 3.57Å; G870-V896 PolarHBondContact O-N 2.94Å; F872-V896 HydrophobicContact CD1-CG2 3.77Å; F872-V896 HydrophobicContact CE1-CG2 3.63Å; V896-G898 WeakPolarHBondContact CG1-O 3.46Å; V896-V901 HydrophobicContact CG2-CG2 4.37Å |
| 897 | N | 68.6 | Low | 65.9 | Low | 134 Ų | 134 | 65.8 Ų | 65.8 | 72% | 0.717 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 92.9 | 171.7 | -167.4 | 2.3 | 0 | 0 | 0 | 109.1 | Q899 H900 | N897-Q899 PolarHBondContact O-N 3.19Å; N897-H900 PolarHBondContact N-O 3.38Å; N897-H900 PolarHBondContact O-N 3.47Å; N897-H900 VanDerWaalsContact O-N 3.09Å |
| 898 | G | 71.2 | Confident | 66.1 | Low | 58 Ų | 58 | 63.3 Ų | 63.3 | 60% | 0.598 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -112.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V896 | V896-G898 WeakPolarHBondContact CG1-O 3.46Š|
| 899 | Q | 71.3 | Confident | 66.4 | Low | 91 Ų | 91 | 62.9 Ų | 62.9 | 43% | 0.425 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 0.1 | 176.5 | -66.9 | -176.2 | -39.8 | 0 | 0 | 113.3 | K852 V853 N897 | K852-Q899 HydrophobicContact CB-CB 4.16Å; K852-Q899 VanDerWaalsContact CD-OE1 3.25Å; K852-Q899 HydrophobicContact CG-CB 4.18Å; V853-Q899 PolarHBondContact N-O 2.97Å; N897-Q899 PolarHBondContact O-N 3.19Å |
| 900 | H | 71.5 | Confident | 67 | Low | 69 Ų | 69 | 59 Ų | 59 | 32% | 0.319 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 145 | 177.2 | -61.4 | -52.2 | 0 | 0 | 0 | 111.2 | L850 A851 N897 | L850-H900 PolarHBondContact O-CE1 3.15Å; A851-H900 PolarHBondContact O-CE1 2.82Å; A851-H900 PolarHBondContact O-ND1 3.33Å; N897-H900 PolarHBondContact N-O 3.38Å; N897-H900 PolarHBondContact O-N 3.47Å; N897-H900 VanDerWaalsContact O-N 3.09Å |
| 901 | V | 75 | Confident | 67.7 | Low | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 115.5 | -174.1 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | V853 L858 W864 F872 L895 V896 V903 V914 | V853-V901 HydrophobicContact CB-CG2 3.93Å; V853-V901 HydrophobicContact CG1-CG2 4.29Å; V853-V901 HydrophobicContact CG2-CB 4.43Å; V853-V901 HydrophobicContact CG2-CG2 4.1Å; L858-V901 HydrophobicContact CD1-CG1 4.49Å; L858-V901 HydrophobicContact CD1-CG2 4.2Å; W864-V901 HydrophobicContact CZ3-CG1 4.35Å; F872-V901 HydrophobicContact CE1-CG1 3.84Å; F872-V901 HydrophobicContact CZ-CG1 3.58Å; L895-V901 WeakPolarHBondContact O-CA 3.33Å; V896-V901 HydrophobicContact CG2-CG2 4.37Å; V901-V903 HydrophobicContact CG1-CG2 4.34Å; V901-V914 HydrophobicContact CB-CB 4.5Å; V901-V914 HydrophobicContact CB-CG2 3.92Å; V901-V914 HydrophobicContact CG1-CG2 4.05Å; V901-V914 PolarHBondContact O-N 3.26Å; V901-V914 VanDerWaalsContact O-N 3.16Å |
| 902 | T | 77.3 | Confident | 68.6 | Low | 20 Ų | 20 | 55.3 Ų | 55.3 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.9 | 176.7 | -52 | 0 | 0 | 0 | 0 | 108.8 | G894 L895 Y904 P911 Y912 E913 | G894-T902 CarbonylContact C-O 3.54Å; G894-T902 WeakPolarHBondContact CA-O 3.28Å; L895-T902 PolarHBondContact N-O 2.89Å; L895-T902 PolarHBondContact O-N 3.01Å; T902-Y904 HydrophobicContact CG2-CD2 4.43Å; T902-Y904 HydrophobicContact CG2-CE2 3.64Å; T902-P911 HydrophobicContact CG2-CB 3.66Å; T902-Y912 CarbonylContact C-O 3.57Å; T902-Y912 WeakPolarHBondContact CA-O 3.45Å; T902-E913 HydrophobicContact CG2-CG 4.37Å; T902-E913 PolarHBondContact OG1-OE1 2.79Å |
| 903 | V | 74.9 | Confident | 69.1 | Low | 10 Ų | 10 | 55.2 Ų | 55.2 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130 | -174.8 | 167.1 | 0 | 0 | 0 | 0 | 110.3 | W864 F872 I874 V901 P911 Y912 L938 | W864-V903 HydrophobicContact CH2-CG2 3.95Å; W864-V903 HydrophobicContact CZ3-CG2 4.28Å; F872-V903 HydrophobicContact CZ-CG2 4.42Å; I874-V903 HydrophobicContact CD1-CB 4.3Å; I874-V903 HydrophobicContact CD1-CG1 3.55Å; I874-V903 HydrophobicContact CD1-CG2 3.98Å; V901-V903 HydrophobicContact CG1-CG2 4.34Å; V903-P911 CarbonylContact O-C 3.32Å; V903-P911 WeakPolarHBondContact O-CA 3.47Å; V903-Y912 PolarHBondContact N-O 3.21Å; V903-Y912 PolarHBondContact O-N 2.85Å; V903-L938 HydrophobicContact CB-CD2 4.35Å; V903-L938 HydrophobicContact CG1-CD1 4.45Å; V903-L938 HydrophobicContact CG2-CD2 3.99Å |
| 904 | Y | 72.9 | Confident | 69.6 | Low | 74 Ų | 74 | 50.3 Ų | 50.3 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 109.9 | 176.8 | -63.9 | -101.3 | 0 | 0 | 0 | 108.8 | G892 Y893 L895 T902 P911 | G892-Y904 CarbonylContact C-O 3.35Å; G892-Y904 WeakPolarHBondContact CA-O 3.22Å; Y893-Y904 HydrophobicContact CD2-CD2 4.21Å; Y893-Y904 AromaticContact CE2-CD2 3.67Å; Y893-Y904 HydrophobicContact CE2-CD2 3.67Å; Y893-Y904 HydrophobicContact CE2-CE2 4.36Å; Y893-Y904 AromaticContact CE2-CG 3.82Å; Y893-Y904 HydrophobicContact CE2-CG 3.82Å; Y893-Y904 AromaticContact CZ-CG 3.81Å; Y893-Y904 PolarHBondContact N-O 2.67Å; Y893-Y904 WeakPolarHBondContact O-CA 3.37Å; Y893-Y904 WeakPolarHBondContact O-CB 3.4Å; Y893-Y904 PolarHBondContact O-N 3.07Å; L895-Y904 HydrophobicContact CD1-CE2 3.85Å; L895-Y904 HydrophobicContact CG-CE2 4.35Å; T902-Y904 HydrophobicContact CG2-CD2 4.43Å; T902-Y904 HydrophobicContact CG2-CE2 3.64Å; Y904-P911 HydrophobicContact CD1-CB 4.02Å; Y904-P911 HydrophobicContact CE1-CB 3.68Å; Y904-P911 HydrophobicContact CE1-CG 4.12Å; Y904-P911 HydrophobicContact CE2-CB 4.33Å; Y904-P911 HydrophobicContact CG-CB 4.48Å |
| 905 | D | 67.3 | Low | 69.9 | Low | 47 Ų | 47 | 51.5 Ų | 51.5 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 140.1 | 169.8 | -165.5 | -46.4 | 0 | 0 | 0 | 108.7 | S907 D908 | D905-S907 PolarHBondContact O-N 3.13Å; D905-S907 WeakPolarHBondContact OD1-CB 3.5Å; D905-S907 PolarHBondContact OD1-N 3.36Å; D905-S907 PolarHBondContact OD1-OG 3.4Å; D905-S907 PolarHBondContact OD2-OG 2.96Å; D905-D908 HydrophobicContact CB-CB 4.38Å; D905-D908 VanDerWaalsContact O-O 3.1Å |
| 906 | Q | 61.4 | Low | 70.3 | Confident | 156 Ų | 156 | 50.2 Ų | 50.2 | 73% | 0.729 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -70.7 | -16.1 | 174.3 | -69.9 | -175 | -2.6 | 0 | 0 | 113.1 | F891 | F891-Q906 WeakPolarHBondContact O-CB 3.31Å; F891-Q906 WeakPolarHBondContact O-CG 3.44Å; F891-Q906 PolarHBondContact O-N 3.34Å |
| 907 | S | 58.1 | Low | 71 | Confident | 91 Ų | 91 | 49.7 Ų | 49.7 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -92.9 | -17.1 | 178.6 | 69.9 | 0 | 0 | 0 | 0 | 114.5 | D905 | D905-S907 PolarHBondContact O-N 3.13Å; D905-S907 WeakPolarHBondContact OD1-CB 3.5Å; D905-S907 PolarHBondContact OD1-N 3.36Å; D905-S907 PolarHBondContact OD1-OG 3.4Å; D905-S907 PolarHBondContact OD2-OG 2.96Å |
| 908 | D | 57.3 | Low | 71.6 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | trans | -127 | 113.7 | 178.2 | -170.8 | -20.9 | 0 | 0 | 0 | 110.9 | D905 C910 Y912 N940 | D905-D908 HydrophobicContact CB-CB 4.38Å; D905-D908 VanDerWaalsContact O-O 3.1Å; D908-C910 PolarHBondContact O-N 3.03Å; D908-C910 WeakPolarHBondContact OD1-CB 3.24Å; D908-C910 PolarHBondContact OD1-N 2.98Å; D908-Y912 HydrophobicContact CB-CE2 3.93Å; D908-Y912 VanDerWaalsContact OD2-CE2 3.26Å; D908-Y912 WeakPolarHBondContact OD2-CE2 3.48Å; D908-Y912 VanDerWaalsContact OD2-CZ 3.3Å; D908-Y912 PolarHBondContact OD2-OH 3.43Å; D908-N940 PolarHBondContact OD2-ND2 3.43Å | ||
| 909 | P | 55.9 | Low | 71.6 | Confident | 101 Ų | 101 | 48.4 Ų | 48.4 | 66% | 0.656 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -71.3 | -7.1 | -178 | 31.3 | -36.7 | 0 | 0 | 0 | 114 | ||
| 910 | C | 59.6 | Low | 70.8 | Confident | 32 Ų | 32 | 46.5 Ų | 46.5 | 22% | 0.216 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -92.4 | 114.3 | 174.8 | -75.2 | 0 | 0 | 0 | 0 | 110.5 | D908 Y912 N940 | D908-C910 PolarHBondContact O-N 3.03Å; D908-C910 WeakPolarHBondContact OD1-CB 3.24Å; D908-C910 PolarHBondContact OD1-N 2.98Å; C910-Y912 WeakPolarHBondContact O-CD2 3.49Å; C910-Y912 PolarHBondContact O-N 3.42Å; C910-N940 HydrophobicContact CB-CB 4.18Å; C910-N940 WeakPolarHBondContact CB-ND2 3.35Å; C910-N940 PolarHBondContact O-ND2 2.65Å |
| 911 | P | 66.6 | Low | 69.6 | Low | 29 Ų | 29 | 49.9 Ų | 49.9 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | trans | -61.4 | 133.7 | 179.3 | 23.9 | -32.5 | 0 | 0 | 0 | 111.8 | T902 V903 Y904 N940 | T902-P911 HydrophobicContact CG2-CB 3.66Å; V903-P911 CarbonylContact O-C 3.32Å; V903-P911 WeakPolarHBondContact O-CA 3.47Å; Y904-P911 HydrophobicContact CD1-CB 4.02Å; Y904-P911 HydrophobicContact CE1-CB 3.68Å; Y904-P911 HydrophobicContact CE1-CG 4.12Å; Y904-P911 HydrophobicContact CE2-CB 4.33Å; Y904-P911 HydrophobicContact CG-CB 4.48Å; P911-N940 VanDerWaalsContact O-CB 3.27Å; P911-N940 WeakPolarHBondContact O-CB 3.14Å | ||
| 912 | Y | 76.4 | Confident | 68.3 | Low | 8 Ų | 8 | 56.5 Ų | 56.5 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 150.8 | 171.3 | -69.3 | -105.1 | 0 | 0 | 0 | 109.5 | T902 V903 D908 C910 L938 S939 N940 R943 I947 | T902-Y912 CarbonylContact C-O 3.57Å; T902-Y912 WeakPolarHBondContact CA-O 3.45Å; V903-Y912 PolarHBondContact N-O 3.21Å; V903-Y912 PolarHBondContact O-N 2.85Å; D908-Y912 HydrophobicContact CB-CE2 3.93Å; D908-Y912 VanDerWaalsContact OD2-CE2 3.26Å; D908-Y912 WeakPolarHBondContact OD2-CE2 3.48Å; D908-Y912 VanDerWaalsContact OD2-CZ 3.3Å; D908-Y912 PolarHBondContact OD2-OH 3.43Å; C910-Y912 WeakPolarHBondContact O-CD2 3.49Å; C910-Y912 PolarHBondContact O-N 3.42Å; Y912-L938 HydrophobicContact CD1-CB 4.09Å; Y912-S939 CarbonylContact C-O 3.41Å; Y912-S939 WeakPolarHBondContact CA-O 3.32Å; Y912-N940 HydrophobicContact CD1-CB 3.95Å; Y912-N940 HydrophobicContact CD2-CB 4.07Å; Y912-N940 HydrophobicContact CE1-CB 4.11Å; Y912-N940 HydrophobicContact CE2-CB 4.2Å; Y912-N940 WeakPolarHBondContact CE2-ND2 3.47Å; Y912-N940 HydrophobicContact CG-CB 3.92Å; Y912-N940 VanDerWaalsContact CZ-ND2 3.27Å; Y912-N940 PolarHBondContact OH-ND2 3.27Å; Y912-R943 VanDerWaalsContact OH-CD 3.23Å; Y912-R943 WeakPolarHBondContact OH-CD 3.07Å; Y912-R943 PolarHBondContact OH-NH1 3.28Å; Y912-R943 VanDerWaalsContact OH-NH1 3.16Å; Y912-I947 HydrophobicContact CD1-CD1 4.31Å; Y912-I947 HydrophobicContact CE1-CD1 3.53Å; Y912-I947 HydrophobicContact CE1-CG1 4.19Å |
| 913 | E | 78.3 | Confident | 66.8 | Low | 11 Ų | 11 | 63.4 Ų | 63.4 | 5% | 0.051 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 146.9 | 171.7 | -48.9 | -149.7 | 106.1 | 0 | 0 | 109.1 | K845 L850 T902 I915 S939 | K845-E913 WeakPolarHBondContact CE-OE2 3.21Å; K845-E913 IonicContact NZ-OE1 3.41Å; K845-E913 PolarHBondContact NZ-OE1 2.81Å; K845-E913 IonicContact NZ-OE2 3.76Å; K845-E913 PolarHBondContact NZ-OE2 3.21Å; L850-E913 HydrophobicContact CD2-CB 4.44Å; T902-E913 HydrophobicContact CG2-CG 4.37Å; T902-E913 PolarHBondContact OG1-OE1 2.79Å; E913-I915 PolarHBondContact O-N 3.23Å; E913-S939 PolarHBondContact N-O 3.22Å; E913-S939 PolarHBondContact O-N 2.72Å |
| 914 | V | 81.6 | Confident | 65 | Low | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 113.9 | 171.9 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | V853 V901 V917 V936 V937 L938 | V853-V914 HydrophobicContact CG2-CB 3.88Å; V853-V914 HydrophobicContact CG2-CG1 3.57Å; V853-V914 HydrophobicContact CG2-CG2 4.36Å; V901-V914 HydrophobicContact CB-CB 4.5Å; V901-V914 HydrophobicContact CB-CG2 3.92Å; V901-V914 HydrophobicContact CG1-CG2 4.05Å; V901-V914 PolarHBondContact O-N 3.26Å; V901-V914 VanDerWaalsContact O-N 3.16Å; V914-V917 HydrophobicContact CG1-CG1 3.55Å; V914-V936 HydrophobicContact CG1-CG1 3.8Å; V914-V936 HydrophobicContact CG2-CG1 3.98Å; V914-V937 WeakPolarHBondContact CA-O 3.28Å; V914-L938 HydrophobicContact CB-CD2 4.48Å; V914-L938 HydrophobicContact CG2-CD2 3.64Å |
| 915 | I | 77.8 | Confident | 63.3 | Low | 25 Ų | 25 | 73.8 Ų | 73.8 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -28.6 | -178.8 | 57.7 | 161.5 | 0 | 0 | 0 | 113.1 | A851 E913 V937 W941 V946 L973 | A851-I915 WeakPolarHBondContact CB-O 3.15Å; E913-I915 PolarHBondContact O-N 3.23Å; I915-V937 HydrophobicContact CD1-CG1 3.89Å; I915-V937 HydrophobicContact CG1-CB 4.16Å; I915-V937 HydrophobicContact CG1-CG1 3.8Å; I915-V937 PolarHBondContact N-O 3.26Å; I915-W941 HydrophobicContact CG2-CZ2 3.83Å; I915-V946 HydrophobicContact CD1-CG1 4.07Å; I915-L973 HydrophobicContact CD1-CD1 4.35Å |
| 916 | L | 83.5 | Confident | 62.3 | Low | 38 Ų | 38 | 79.8 Ų | 79.8 | 20% | 0.199 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 152.8 | 179.4 | -88.1 | 160.2 | 0 | 0 | 0 | 109.6 | V937 L964 L968 | L916-V937 HydrophobicContact CB-CB 3.9Å; L916-V937 HydrophobicContact CB-CG2 3.87Å; L916-V937 PolarHBondContact O-N 2.8Å; L916-L964 HydrophobicContact CD1-CD1 4.24Å; L916-L968 HydrophobicContact CD1-CD2 3.88Å; L916-L968 HydrophobicContact CD1-CG 4.47Å |
| 917 | V | 84.7 | Confident | 61.4 | Low | 22 Ų | 22 | 83.3 Ų | 83.3 | 13% | 0.133 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 155.5 | 175.4 | -58.3 | 0 | 0 | 0 | 0 | 108.5 | V853 V914 D919 Y933 V936 | V853-V917 HydrophobicContact CG2-CG1 4.22Å; V914-V917 HydrophobicContact CG1-CG1 3.55Å; V917-D919 PolarHBondContact O-N 2.92Å; V917-Y933 HydrophobicContact CB-CD1 4.04Å; V917-Y933 HydrophobicContact CB-CE1 3.87Å; V917-Y933 HydrophobicContact CG2-CD1 4.23Å; V917-Y933 HydrophobicContact CG2-CE1 3.61Å; V917-V936 HydrophobicContact CB-CG2 4.34Å; V917-V936 HydrophobicContact CG1-CG1 4.29Å; V917-V936 HydrophobicContact CG1-CG2 3.99Å |
| 918 | S | 81.6 | Confident | 60.6 | Low | 4 Ų | 4 | 85.8 Ų | 85.8 | 3% | 0.028 | 42% | 0.423 | C | S | . | . | trans | -63.7 | 128 | 176.3 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | N920 Y933 D934 Y935 | S918-N920 PolarHBondContact O-OD1 3.32Å; S918-N920 PolarHBondContact OG-OD1 2.77Å; S918-Y933 WeakPolarHBondContact O-CD1 3.45Å; S918-D934 PolarHBondContact OG-N 2.85Å; S918-Y935 PolarHBondContact N-O 2.77Å | ||
| 919 | D | 69.7 | Low | 59.9 | Low | 161 Ų | 161 | 96.8 Ų | 96.8 | 86% | 0.861 | 46% | 0.463 | S | S | * | . | trans | -73.6 | 127.4 | 165.3 | -83.8 | -25.6 | 0 | 0 | 0 | 109.6 | V917 | V917-D919 PolarHBondContact O-N 2.92Š| ||
| 920 | N | 54.9 | Low | 59.7 | Low | 51 Ų | 51 | 99.3 Ų | 99.3 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | trans | -129.3 | 125.9 | 167.6 | -51.3 | 92.9 | 0 | 0 | 0 | 105.8 | R857 S918 E922 D934 | R857-N920 PolarHBondContact NH1-OD1 2.89Å; R857-N920 PolarHBondContact NH2-OD1 3.25Å; S918-N920 PolarHBondContact O-OD1 3.32Å; S918-N920 PolarHBondContact OG-OD1 2.77Å; N920-E922 PolarHBondContact O-N 3.15Å; N920-D934 PolarHBondContact ND2-OD2 2.65Å | ||
| 921 | D | 47.3 | Very low | 59.6 | Low | 140 Ų | 140 | 99.2 Ų | 99.2 | 75% | 0.749 | 47% | 0.471 | S | S | * | . | trans | -44.2 | 123.8 | -163.6 | -60.2 | -61.8 | 0 | 0 | 0 | 114.9 | D923 N924 | D921-D923 PolarHBondContact O-N 3.44Å; D921-N924 PolarHBondContact O-N 3Å | ||
| 922 | E | 47.4 | Very low | 59.8 | Low | 142 Ų | 142 | 98.3 Ų | 98.3 | 66% | 0.664 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -63.8 | -25.6 | 177.5 | -63.6 | -140.1 | 115.7 | 0 | 0 | 112.4 | K854 N920 N924 Y925 | K854-E922 IonicContact NZ-OE1 2.66Å; K854-E922 PolarHBondContact NZ-OE1 2.86Å; N920-E922 PolarHBondContact O-N 3.15Å; E922-N924 PolarHBondContact O-N 3.34Å; E922-N924 VanDerWaalsContact O-N 3.15Å; E922-Y925 VanDerWaalsContact O-CB 3.22Å; E922-Y925 WeakPolarHBondContact O-CB 3.34Å; E922-Y925 PolarHBondContact O-N 2.89Å; E922-Y925 VanDerWaalsContact O-N 3.12Å |
| 923 | D | 45.1 | Very low | 60 | Low | 164 Ų | 164 | 98.4 Ų | 98.4 | 88% | 0.877 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -64.1 | -19.2 | -179.2 | -72.1 | -24.3 | 0 | 0 | 0 | 113.6 | D921 Y925 | D921-D923 PolarHBondContact O-N 3.44Å; D923-Y925 VanDerWaalsContact C-N 3.34Å |
| 924 | N | 38.5 | Very low | 60.2 | Low | 121 Ų | 121 | 99.4 Ų | 99.4 | 65% | 0.647 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -92.2 | 12.5 | 177.6 | -131.9 | -23.6 | 0 | 0 | 0 | 114 | D921 E922 H926 R927 | D921-N924 PolarHBondContact O-N 3Å; E922-N924 PolarHBondContact O-N 3.34Å; E922-N924 VanDerWaalsContact O-N 3.15Å; N924-H926 PolarHBondContact O-N 3.4Å; N924-R927 PolarHBondContact O-N 3.33Å |
| 925 | Y | 36.7 | Very low | 60.3 | Low | 182 Ų | 182 | 100 Ų | 100 | 71% | 0.714 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -24.7 | -178.6 | 179.7 | -110.7 | 0 | 0 | 0 | 115.1 | E922 D923 | E922-Y925 VanDerWaalsContact O-CB 3.22Å; E922-Y925 WeakPolarHBondContact O-CB 3.34Å; E922-Y925 PolarHBondContact O-N 2.89Å; E922-Y925 VanDerWaalsContact O-N 3.12Å; D923-Y925 VanDerWaalsContact C-N 3.34Å |
| 926 | H | 45.6 | Very low | 60.6 | Low | 173 Ų | 173 | 98.8 Ų | 98.8 | 80% | 0.801 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -1.6 | -171.9 | -78.4 | -77.7 | 0 | 0 | 0 | 116.5 | N924 | N924-H926 PolarHBondContact O-N 3.4Š|
| 927 | R | 42.4 | Very low | 60.5 | Low | 229 Ų | 229 | 97 Ų | 97 | 86% | 0.864 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | -25.9 | 178.7 | -114.9 | 178.1 | 179.9 | 176.5 | -0.6 | 118.3 | N924 | N924-R927 PolarHBondContact O-N 3.33Š|
| 928 | E | 40.8 | Very low | 60.3 | Low | 143 Ų | 143 | 96.4 Ų | 96.4 | 67% | 0.668 | 45% | 0.453 | S | S | * | . | trans | -117.9 | 92.5 | -178.2 | -68 | -160.4 | 172.1 | 0 | 0 | 114.6 | N930 | E928-N930 PolarHBondContact O-N 3.39Å; E928-N930 VanDerWaalsContact O-N 3.14Å | ||
| 929 | R | 43.5 | Very low | 59.9 | Low | 251 Ų | 251 | 96.5 Ų | 96.5 | 95% | 0.947 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -10.6 | 173.6 | -74.9 | -170.9 | 175.8 | -162.2 | -0.1 | 115 | ||
| 930 | N | 50.7 | Low | 59.9 | Low | 155 Ų | 155 | 89 Ų | 89 | 83% | 0.829 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | 9.5 | -168.9 | -64.9 | -5.7 | 0 | 0 | 0 | 114.2 | E928 Q932 | E928-N930 PolarHBondContact O-N 3.39Å; E928-N930 VanDerWaalsContact O-N 3.14Å; N930-Q932 PolarHBondContact O-N 2.83Å; N930-Q932 VanDerWaalsContact O-N 3.08Å |
| 931 | S | 57.9 | Low | 60 | Low | 30 Ų | 30 | 90.3 Ų | 90.3 | 21% | 0.21 | 41% | 0.414 | C | S | . | . | trans | -70.8 | 103.6 | -176.8 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | R857 | R857-S931 WeakPolarHBondContact CG-O 3.41Å; R857-S931 PolarHBondContact NE-O 3.28Å; R857-S931 PolarHBondContact NH2-OG 2.89Å | ||
| 932 | Q | 70.8 | Confident | 60.3 | Low | 10 Ų | 10 | 84 Ų | 84 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | trans | -75.5 | 143.2 | 168.7 | -166.7 | -166.5 | 9 | 0 | 0 | 110.3 | R857 L858 N930 K951 | R857-Q932 WeakPolarHBondContact O-CA 3.22Å; R857-Q932 WeakPolarHBondContact O-CG 3.45Å; L858-Q932 PolarHBondContact O-NE2 3.42Å; N930-Q932 PolarHBondContact O-N 2.83Å; N930-Q932 VanDerWaalsContact O-N 3.08Å; Q932-K951 HydrophobicContact CB-CD 4.26Å; Q932-K951 PolarHBondContact O-NZ 2.04Å | ||
| 933 | Y | 82.1 | Confident | 60.1 | Low | 10 Ų | 10 | 81.3 Ų | 81.3 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | trans | -51.8 | 146.6 | 171.7 | -67.5 | -73.4 | 0 | 0 | 0 | 112.1 | V853 K854 R857 L858 V917 S918 V936 K951 | V853-Y933 HydrophobicContact CG1-CE2 3.87Å; K854-Y933 PolarHBondContact N-OH 3.08Å; K854-Y933 VanDerWaalsContact N-OH 3.11Å; R857-Y933 HydrophobicContact CB-CD2 3.56Å; R857-Y933 HydrophobicContact CB-CE2 3.43Å; R857-Y933 VanDerWaalsContact CB-CE2 3.43Å; R857-Y933 HydrophobicContact CB-CG 4.25Å; R857-Y933 VanDerWaalsContact O-CD2 3.32Å; R857-Y933 WeakPolarHBondContact O-CD2 3.48Å; R857-Y933 PolarHBondContact O-N 2.91Å; R857-Y933 VanDerWaalsContact O-N 3.13Å; L858-Y933 HydrophobicContact CD2-CD2 4.22Å; L858-Y933 HydrophobicContact CD2-CE2 4.46Å; V917-Y933 HydrophobicContact CB-CD1 4.04Å; V917-Y933 HydrophobicContact CB-CE1 3.87Å; V917-Y933 HydrophobicContact CG2-CD1 4.23Å; V917-Y933 HydrophobicContact CG2-CE1 3.61Å; S918-Y933 WeakPolarHBondContact O-CD1 3.45Å; Y933-V936 HydrophobicContact CD2-CG2 4.34Å; Y933-V936 HydrophobicContact CG-CG2 4.35Å; Y933-K951 WeakPolarHBondContact O-CD 3.44Å | ||
| 934 | D | 81.7 | Confident | 60 | Low | 32 Ų | 32 | 77.6 Ų | 77.6 | 17% | 0.171 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -86.1 | -34.1 | -179.4 | -66.4 | -66.5 | 0 | 0 | 0 | 112.8 | S918 N920 K951 | S918-D934 PolarHBondContact OG-N 2.85Å; N920-D934 PolarHBondContact ND2-OD2 2.65Å; D934-K951 WeakPolarHBondContact O-CB 3.21Å; D934-K951 PolarHBondContact O-N 3.42Å; D934-K951 WeakPolarHBondContact OD1-CD 3.16Å; D934-K951 WeakPolarHBondContact OD1-CE 3.34Å; D934-K951 IonicContact OD1-NZ 3.71Å; D934-K951 PolarHBondContact OD1-NZ 2.89Å; D934-K951 IonicContact OD2-NZ 2.68Å |
| 935 | Y | 83.5 | Confident | 60.7 | Low | 16 Ų | 16 | 74.9 Ų | 74.9 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 158.2 | 164.3 | 64.6 | -95.3 | 0 | 0 | 0 | 113.5 | S918 V937 L949 F956 D960 L964 | S918-Y935 PolarHBondContact N-O 2.77Å; Y935-V937 HydrophobicContact CD2-CG2 4.29Å; Y935-L949 CarbonylContact C-O 3.5Å; Y935-L949 WeakPolarHBondContact CA-O 3.07Å; Y935-L949 WeakPolarHBondContact CB-O 3.42Å; Y935-F956 HydrophobicContact CD1-CD2 4Å; Y935-F956 HydrophobicContact CD1-CE2 4.06Å; Y935-F956 HydrophobicContact CD2-CE2 4.49Å; Y935-F956 HydrophobicContact CG-CD2 4.11Å; Y935-F956 AromaticContact CG-CE2 3.95Å; Y935-F956 HydrophobicContact CG-CE2 3.95Å; Y935-D960 HydrophobicContact CD1-CB 3.87Å; Y935-D960 HydrophobicContact CE1-CB 3.84Å; Y935-L964 HydrophobicContact CE2-CD1 4.13Å |
| 936 | V | 83.4 | Confident | 62 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 135.9 | 176.5 | 171 | 0 | 0 | 0 | 0 | 109.5 | L858 W862 V914 V917 Y933 L949 | L858-V936 HydrophobicContact CD2-CG2 4.18Å; W862-V936 HydrophobicContact CH2-CB 3.84Å; W862-V936 HydrophobicContact CH2-CG2 3.72Å; W862-V936 HydrophobicContact CZ3-CB 3.92Å; W862-V936 HydrophobicContact CZ3-CG2 3.63Å; V914-V936 HydrophobicContact CG1-CG1 3.8Å; V914-V936 HydrophobicContact CG2-CG1 3.98Å; V917-V936 HydrophobicContact CB-CG2 4.34Å; V917-V936 HydrophobicContact CG1-CG1 4.29Å; V917-V936 HydrophobicContact CG1-CG2 3.99Å; Y933-V936 HydrophobicContact CD2-CG2 4.34Å; Y933-V936 HydrophobicContact CG-CG2 4.35Å; V936-L949 PolarHBondContact N-O 2.96Å; V936-L949 PolarHBondContact O-N 2.92Å |
| 937 | V | 82.9 | Confident | 63.4 | Low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129 | -174.8 | -175 | 0 | 0 | 0 | 0 | 110.4 | V914 I915 L916 Y935 V946 I947 V948 L964 | V914-V937 WeakPolarHBondContact CA-O 3.28Å; I915-V937 HydrophobicContact CD1-CG1 3.89Å; I915-V937 HydrophobicContact CG1-CB 4.16Å; I915-V937 HydrophobicContact CG1-CG1 3.8Å; I915-V937 PolarHBondContact N-O 3.26Å; L916-V937 HydrophobicContact CB-CB 3.9Å; L916-V937 HydrophobicContact CB-CG2 3.87Å; L916-V937 PolarHBondContact O-N 2.8Å; Y935-V937 HydrophobicContact CD2-CG2 4.29Å; V937-V946 HydrophobicContact CG1-CB 3.99Å; V937-V946 HydrophobicContact CG1-CG2 3.73Å; V937-I947 WeakPolarHBondContact CA-O 3Å; V937-V948 HydrophobicContact CG2-CG1 4.41Å; V937-V948 HydrophobicContact CG2-CG2 4.33Å; V937-L964 HydrophobicContact CG2-CD1 3.66Å; V937-L964 HydrophobicContact CG2-CD2 3.97Å; V937-L964 HydrophobicContact CG2-CG 4.5Å |
| 938 | L | 80 | Confident | 65.2 | Low | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.5 | -177.7 | -67.7 | 174.6 | 0 | 0 | 0 | 111 | V903 Y912 V914 I947 L949 | V903-L938 HydrophobicContact CB-CD2 4.35Å; V903-L938 HydrophobicContact CG1-CD1 4.45Å; V903-L938 HydrophobicContact CG2-CD2 3.99Å; Y912-L938 HydrophobicContact CD1-CB 4.09Å; V914-L938 HydrophobicContact CB-CD2 4.48Å; V914-L938 HydrophobicContact CG2-CD2 3.64Å; L938-I947 HydrophobicContact CB-CB 4.34Å; L938-I947 PolarHBondContact N-O 3.25Å; L938-I947 PolarHBondContact O-N 3.46Å; L938-L949 HydrophobicContact CD1-CD1 3.85Å; L938-L949 HydrophobicContact CD1-CG 4.26Å |
| 939 | S | 73.2 | Confident | 66.8 | Low | 5 Ų | 5 | 47.3 Ų | 47.3 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.2 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | Y912 E913 W941 | Y912-S939 CarbonylContact C-O 3.41Å; Y912-S939 WeakPolarHBondContact CA-O 3.32Å; E913-S939 PolarHBondContact N-O 3.22Å; E913-S939 PolarHBondContact O-N 2.72Å; S939-W941 PolarHBondContact OG-N 3.43Å; S939-W941 VanDerWaalsContact OG-N 3.1Å |
| 940 | N | 69.6 | Low | 68.5 | Low | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | trans | -101.1 | 9.7 | 168.3 | 67.3 | 7 | 0 | 0 | 0 | 112.6 | D908 C910 P911 Y912 A942 R943 | D908-N940 PolarHBondContact OD2-ND2 3.43Å; C910-N940 HydrophobicContact CB-CB 4.18Å; C910-N940 WeakPolarHBondContact CB-ND2 3.35Å; C910-N940 PolarHBondContact O-ND2 2.65Å; P911-N940 VanDerWaalsContact O-CB 3.27Å; P911-N940 WeakPolarHBondContact O-CB 3.14Å; Y912-N940 HydrophobicContact CD1-CB 3.95Å; Y912-N940 HydrophobicContact CD2-CB 4.07Å; Y912-N940 HydrophobicContact CE1-CB 4.11Å; Y912-N940 HydrophobicContact CE2-CB 4.2Å; Y912-N940 WeakPolarHBondContact CE2-ND2 3.47Å; Y912-N940 HydrophobicContact CG-CB 3.92Å; Y912-N940 VanDerWaalsContact CZ-ND2 3.27Å; Y912-N940 PolarHBondContact OH-ND2 3.27Å; N940-A942 PolarHBondContact O-N 3.16Å; N940-A942 WeakPolarHBondContact OD1-CB 3.29Å; N940-A942 PolarHBondContact OD1-N 2.9Å; N940-A942 VanDerWaalsContact OD1-N 3.12Å; N940-R943 WeakPolarHBondContact OD1-CB 3.28Å; N940-R943 PolarHBondContact OD1-N 3.03Å | ||
| 941 | W | 57.5 | Low | 69.7 | Low | 79 Ų | 79 | 31.6 Ų | 31.6 | 30% | 0.299 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 58.9 | 0.5 | -176.4 | -52.3 | 90.7 | 0 | 0 | 0 | 115.7 | I915 S939 | I915-W941 HydrophobicContact CG2-CZ2 3.83Å; S939-W941 PolarHBondContact OG-N 3.43Å; S939-W941 VanDerWaalsContact OG-N 3.1Å |
| 942 | A | 52.3 | Low | 70.6 | Confident | 9 Ų | 9 | 33 Ų | 33 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -106.7 | -22.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S828 Q831 N940 | S828-A942 PolarHBondContact OG-O 2.88Å; Q831-A942 HydrophobicContact CG-CB 3.44Å; Q831-A942 VanDerWaalsContact CG-CB 3.44Å; N940-A942 PolarHBondContact O-N 3.16Å; N940-A942 WeakPolarHBondContact OD1-CB 3.29Å; N940-A942 PolarHBondContact OD1-N 2.9Å; N940-A942 VanDerWaalsContact OD1-N 3.12Å |
| 943 | R | 43.3 | Very low | 70.6 | Confident | 85 Ų | 85 | 35.7 Ų | 35.7 | 32% | 0.321 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -120.3 | 121.4 | 180 | -166.4 | 178.4 | -167 | 176.6 | 1.2 | 108.9 | Y912 N940 W989 | Y912-R943 VanDerWaalsContact OH-CD 3.23Å; Y912-R943 WeakPolarHBondContact OH-CD 3.07Å; Y912-R943 PolarHBondContact OH-NH1 3.28Å; Y912-R943 VanDerWaalsContact OH-NH1 3.16Å; N940-R943 WeakPolarHBondContact OD1-CB 3.28Å; N940-R943 PolarHBondContact OD1-N 3.03Å; R943-W989 HydrophobicContact CG-CH2 4.44Å |
| 944 | Y | 44.5 | Very low | 70.3 | Confident | 85 Ų | 85 | 40.4 Ų | 40.4 | 33% | 0.333 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -133.1 | 137.7 | 170.7 | -159.1 | -104.3 | 0 | 0 | 0 | 108 | V946 L973 T978 | Y944-V946 HydrophobicContact CD2-CG1 3.88Å; Y944-V946 HydrophobicContact CE2-CG1 3.76Å; Y944-L973 PolarHBondContact OH-O 2.89Å; Y944-T978 HydrophobicContact CE1-CG2 4.32Å |
| 945 | P | 51.5 | Low | 70 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | S | Bend | cis | -65.8 | 166.8 | 2.8 | 28.5 | -36.1 | 0 | 0 | 0 | 114.7 | A987 | P945-A987 HydrophobicContact CG-CB 3.95Š|
| 946 | V | 65.9 | Low | 69.9 | Low | 28 Ų | 28 | 42.4 Ų | 42.4 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 163.8 | -176.7 | -66.6 | 0 | 0 | 0 | 0 | 113 | I915 V937 Y944 L968 | I915-V946 HydrophobicContact CD1-CG1 4.07Å; V937-V946 HydrophobicContact CG1-CB 3.99Å; V937-V946 HydrophobicContact CG1-CG2 3.73Å; Y944-V946 HydrophobicContact CD2-CG1 3.88Å; Y944-V946 HydrophobicContact CE2-CG1 3.76Å; V946-L968 HydrophobicContact CG2-CD1 4.42Å |
| 947 | I | 73.7 | Confident | 69.6 | Low | 57 Ų | 57 | 46 Ų | 46 | 29% | 0.292 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.5 | 176.7 | -59 | 179 | 0 | 0 | 0 | 109.2 | Y912 V937 L938 | Y912-I947 HydrophobicContact CD1-CD1 4.31Å; Y912-I947 HydrophobicContact CE1-CD1 3.53Å; Y912-I947 HydrophobicContact CE1-CG1 4.19Å; V937-I947 WeakPolarHBondContact CA-O 3Å; L938-I947 HydrophobicContact CB-CB 4.34Å; L938-I947 PolarHBondContact N-O 3.25Å; L938-I947 PolarHBondContact O-N 3.46Å |
| 948 | V | 80.1 | Confident | 69.4 | Low | 49 Ų | 49 | 49.6 Ų | 49.6 | 30% | 0.297 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.9 | 175.2 | -169.8 | 0 | 0 | 0 | 0 | 109.8 | V937 F956 L964 | V937-V948 HydrophobicContact CG2-CG1 4.41Å; V937-V948 HydrophobicContact CG2-CG2 4.33Å; V948-F956 HydrophobicContact CB-CZ 4.44Å; V948-F956 HydrophobicContact CG1-CE1 4.47Å; V948-F956 HydrophobicContact CG1-CE2 3.85Å; V948-F956 HydrophobicContact CG1-CZ 3.76Å; V948-L964 HydrophobicContact CG1-CD2 4.09Å; V948-L964 HydrophobicContact CG2-CD2 3.61Å |
| 949 | L | 75.8 | Confident | 69.4 | Low | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.5 | 170.3 | -59 | -178.9 | 0 | 0 | 0 | 108.4 | W862 W864 N876 Y935 V936 L938 | W862-L949 HydrophobicContact CH2-CB 3.83Å; W862-L949 WeakPolarHBondContact CH2-O 3.15Å; W862-L949 HydrophobicContact CZ2-CB 3.74Å; W862-L949 WeakPolarHBondContact CZ2-O 3.1Å; W862-L949 HydrophobicContact CZ3-CB 4.33Å; W864-L949 HydrophobicContact CH2-CD1 4.14Å; W864-L949 HydrophobicContact CZ2-CD1 3.56Å; N876-L949 VanDerWaalsContact ND2-CD2 3.32Å; N876-L949 WeakPolarHBondContact ND2-CD2 3.48Å; Y935-L949 CarbonylContact C-O 3.5Å; Y935-L949 WeakPolarHBondContact CA-O 3.07Å; Y935-L949 WeakPolarHBondContact CB-O 3.42Å; V936-L949 PolarHBondContact N-O 2.96Å; V936-L949 PolarHBondContact O-N 2.92Å; L938-L949 HydrophobicContact CD1-CD1 3.85Å; L938-L949 HydrophobicContact CD1-CG 4.26Å |
| 950 | A | 78.9 | Confident | 69.8 | Low | 21 Ų | 21 | 55.3 Ų | 55.3 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W862 V953 F956 | W862-A950 PolarHBondContact NE1-O 3.46Å; W862-A950 VanDerWaalsContact NE1-O 3.08Å; A950-V953 HydrophobicContact CB-CG2 4.4Å; A950-F956 HydrophobicContact CB-CB 3.67Å; A950-F956 HydrophobicContact CB-CD1 4.41Å; A950-F956 HydrophobicContact CB-CD2 4.28Å; A950-F956 HydrophobicContact CB-CG 3.86Å |
| 951 | K | 75.7 | Confident | 70.4 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -76.2 | -27.7 | 175.2 | 176.7 | 170.8 | 147.4 | -151 | 0 | 111.5 | K861 W862 Q932 Y933 D934 | K861-K951 HydrophobicContact CD-CG 4.45Å; K861-K951 VanDerWaalsContact CD-O 3.25Å; K861-K951 WeakPolarHBondContact CD-O 3.05Å; K861-K951 WeakPolarHBondContact CE-O 3.07Å; K861-K951 PolarHBondContact NZ-O 3.01Å; W862-K951 HydrophobicContact CZ2-CB 4.47Å; Q932-K951 HydrophobicContact CB-CD 4.26Å; Q932-K951 PolarHBondContact O-NZ 2.04Å; Y933-K951 WeakPolarHBondContact O-CD 3.44Å; D934-K951 WeakPolarHBondContact O-CB 3.21Å; D934-K951 PolarHBondContact O-N 3.42Å; D934-K951 WeakPolarHBondContact OD1-CD 3.16Å; D934-K951 WeakPolarHBondContact OD1-CE 3.34Å; D934-K951 IonicContact OD1-NZ 3.71Å; D934-K951 PolarHBondContact OD1-NZ 2.89Å; D934-K951 IonicContact OD2-NZ 2.68Å |
| 952 | N | 76.5 | Confident | 71.4 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -145.2 | 111.4 | 170.8 | -175.3 | 11.2 | 0 | 0 | 0 | 108.1 | Q955 F956 | N952-Q955 HydrophobicContact CB-CB 3.89Å; N952-Q955 VanDerWaalsContact ND2-CB 3.29Å; N952-Q955 WeakPolarHBondContact ND2-CB 3.27Å; N952-Q955 PolarHBondContact ND2-OE1 2.82Å; N952-F956 WeakPolarHBondContact O-CB 3.26Å; N952-F956 PolarHBondContact O-N 3.1Å |
| 953 | V | 71.4 | Confident | 72.7 | Confident | 67 Ų | 67 | 66.1 Ų | 66.1 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.5 | -42.9 | -169.7 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | A950 Q955 F956 F957 | A950-V953 HydrophobicContact CB-CG2 4.4Å; V953-Q955 VanDerWaalsContact C-N 3.35Å; V953-Q955 PolarHBondContact O-N 2.84Å; V953-F956 PolarHBondContact O-N 3.45Å; V953-F957 HydrophobicContact CG1-CD2 3.81Å; V953-F957 HydrophobicContact CG1-CE2 3.76Å; V953-F957 WeakPolarHBondContact O-CD2 3.48Å; V953-F957 PolarHBondContact O-N 2.84Å |
| 954 | D | 74.8 | Confident | 74.5 | Confident | 110 Ų | 110 | 62.4 Ų | 62.4 | 59% | 0.588 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67 | -39.3 | -177.4 | -44.9 | -44.7 | 0 | 0 | 0 | 110.9 | A958 | D954-A958 WeakPolarHBondContact O-CB 3.08Å; D954-A958 PolarHBondContact O-N 3.04Å; D954-A958 VanDerWaalsContact O-N 3.08Å |
| 955 | Q | 76 | Confident | 76 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70 | -38 | 174.4 | 177.4 | -178.5 | -11.5 | 0 | 0 | 112.5 | N952 V953 A958 N959 | N952-Q955 HydrophobicContact CB-CB 3.89Å; N952-Q955 VanDerWaalsContact ND2-CB 3.29Å; N952-Q955 WeakPolarHBondContact ND2-CB 3.27Å; N952-Q955 PolarHBondContact ND2-OE1 2.82Å; V953-Q955 VanDerWaalsContact C-N 3.35Å; V953-Q955 PolarHBondContact O-N 2.84Å; Q955-A958 PolarHBondContact O-N 3.45Å; Q955-N959 WeakPolarHBondContact O-CB 3.31Å; Q955-N959 PolarHBondContact O-N 2.03Å |
| 956 | F | 81.2 | Confident | 77.2 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -61.6 | -45.8 | 175.9 | 169.6 | -92.8 | 0 | 0 | 0 | 111.3 | Y935 V948 A950 N952 V953 A958 D960 Y961 L964 | Y935-F956 HydrophobicContact CD1-CD2 4Å; Y935-F956 HydrophobicContact CD1-CE2 4.06Å; Y935-F956 HydrophobicContact CD2-CE2 4.49Å; Y935-F956 HydrophobicContact CG-CD2 4.11Å; Y935-F956 AromaticContact CG-CE2 3.95Å; Y935-F956 HydrophobicContact CG-CE2 3.95Å; V948-F956 HydrophobicContact CB-CZ 4.44Å; V948-F956 HydrophobicContact CG1-CE1 4.47Å; V948-F956 HydrophobicContact CG1-CE2 3.85Å; V948-F956 HydrophobicContact CG1-CZ 3.76Å; A950-F956 HydrophobicContact CB-CB 3.67Å; A950-F956 HydrophobicContact CB-CD1 4.41Å; A950-F956 HydrophobicContact CB-CD2 4.28Å; A950-F956 HydrophobicContact CB-CG 3.86Å; N952-F956 WeakPolarHBondContact O-CB 3.26Å; N952-F956 PolarHBondContact O-N 3.1Å; V953-F956 PolarHBondContact O-N 3.45Å; F956-A958 VanDerWaalsContact C-N 3.3Å; F956-A958 PolarHBondContact O-N 3.45Å; F956-D960 HydrophobicContact CD2-CB 3.58Å; F956-D960 HydrophobicContact CE2-CB 4.04Å; F956-D960 HydrophobicContact CG-CB 4.33Å; F956-D960 PolarHBondContact O-N 3.28Å; F956-Y961 AromaticContact CE1-CD2 3.81Å; F956-Y961 HydrophobicContact CE1-CD2 3.81Å; F956-Y961 HydrophobicContact CE1-CG 4.38Å; F956-Y961 HydrophobicContact CZ-CD2 4.02Å; F956-Y961 WeakPolarHBondContact O-CB 3.47Å; F956-Y961 PolarHBondContact O-N 3.37Å; F956-L964 HydrophobicContact CE2-CD2 4.24Å; F956-L964 HydrophobicContact CZ-CD2 3.98Å |
| 957 | F | 77.2 | Confident | 77.7 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 33% | 0.329 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -69.2 | -25.6 | 175.2 | -78.8 | -63.3 | 0 | 0 | 0 | 113.6 | Q883 V953 Y961 T986 | Q883-F957 HydrophobicContact CB-CE2 4.47Å; V953-F957 HydrophobicContact CG1-CD2 3.81Å; V953-F957 HydrophobicContact CG1-CE2 3.76Å; V953-F957 WeakPolarHBondContact O-CD2 3.48Å; V953-F957 PolarHBondContact O-N 2.84Å; F957-Y961 HydrophobicContact CD1-CD1 4.46Å; F957-Y961 HydrophobicContact CD1-CD2 4.31Å; F957-Y961 HydrophobicContact CD1-CG 4.14Å; F957-Y961 HydrophobicContact CE1-CD2 4.2Å; F957-Y961 HydrophobicContact CE1-CE2 4.35Å; F957-Y961 HydrophobicContact CE1-CG 4.47Å; F957-T986 HydrophobicContact CE1-CG2 4.11Å; F957-T986 HydrophobicContact CZ-CG2 4.06Å |
| 958 | A | 78.3 | Confident | 77.6 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 63% | 0.628 | 31% | 0.308 | S | S | * | . | I | π-helix | trans | -78.5 | -39.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D954 Q955 F956 | D954-A958 WeakPolarHBondContact O-CB 3.08Å; D954-A958 PolarHBondContact O-N 3.04Å; D954-A958 VanDerWaalsContact O-N 3.08Å; Q955-A958 PolarHBondContact O-N 3.45Å; F956-A958 VanDerWaalsContact C-N 3.3Å; F956-A958 PolarHBondContact O-N 3.45Å |
| 959 | N | 79.3 | Confident | 77.1 | Confident | 101 Ų | 101 | 63.2 Ų | 63.2 | 54% | 0.54 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -120.9 | -42.8 | -166.1 | -62.4 | -5 | 0 | 0 | 0 | 114.2 | Q955 | Q955-N959 WeakPolarHBondContact O-CB 3.31Å; Q955-N959 PolarHBondContact O-N 2.03Å |
| 960 | D | 82.1 | Confident | 76.9 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -99.1 | -25.2 | -161.3 | -54.1 | -32.7 | 0 | 0 | 0 | 113.2 | Y935 F956 E962 F963 L964 | Y935-D960 HydrophobicContact CD1-CB 3.87Å; Y935-D960 HydrophobicContact CE1-CB 3.84Å; F956-D960 HydrophobicContact CD2-CB 3.58Å; F956-D960 HydrophobicContact CE2-CB 4.04Å; F956-D960 HydrophobicContact CG-CB 4.33Å; F956-D960 PolarHBondContact O-N 3.28Å; D960-E962 PolarHBondContact O-N 3.35Å; D960-F963 WeakPolarHBondContact O-CB 3.46Å; D960-F963 PolarHBondContact O-N 3.05Å; D960-L964 PolarHBondContact O-N 2.71Å; D960-L964 VanDerWaalsContact O-N 3.07Å |
| 961 | Y | 81.6 | Confident | 76.4 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 22% | 0.22 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | -170.8 | 175.8 | -113.1 | 0 | 0 | 0 | 114.1 | F956 F957 K965 S984 | F956-Y961 AromaticContact CE1-CD2 3.81Å; F956-Y961 HydrophobicContact CE1-CD2 3.81Å; F956-Y961 HydrophobicContact CE1-CG 4.38Å; F956-Y961 HydrophobicContact CZ-CD2 4.02Å; F956-Y961 WeakPolarHBondContact O-CB 3.47Å; F956-Y961 PolarHBondContact O-N 3.37Å; F957-Y961 HydrophobicContact CD1-CD1 4.46Å; F957-Y961 HydrophobicContact CD1-CD2 4.31Å; F957-Y961 HydrophobicContact CD1-CG 4.14Å; F957-Y961 HydrophobicContact CE1-CD2 4.2Å; F957-Y961 HydrophobicContact CE1-CE2 4.35Å; F957-Y961 HydrophobicContact CE1-CG 4.47Å; Y961-K965 HydrophobicContact CE1-CD 4.26Å; Y961-K965 PolarHBondContact O-N 2.93Å; Y961-S984 PolarHBondContact OH-O 2.89Å |
| 962 | E | 79.2 | Confident | 75.7 | Confident | 116 Ų | 116 | 74.3 Ų | 74.3 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -76.2 | -26.8 | 177.3 | -61.1 | -58.5 | 136.7 | 0 | 0 | 112.7 | D960 K965 E966 | D960-E962 PolarHBondContact O-N 3.35Å; E962-K965 PolarHBondContact O-N 3.04Å; E962-K965 IonicContact OE1-NZ 3.57Å; E962-K965 PolarHBondContact OE1-NZ 3.11Å; E962-K965 WeakPolarHBondContact OE2-CD 3.48Å; E962-K965 IonicContact OE2-NZ 3.29Å; E962-K965 PolarHBondContact OE2-NZ 3.1Å; E962-E966 PolarHBondContact O-N 3.23Å |
| 963 | F | 80.8 | Confident | 74.9 | Confident | 146 Ų | 146 | 73.4 Ų | 73.4 | 64% | 0.64 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.1 | -48 | 169.6 | -92.4 | -82.8 | 0 | 0 | 0 | 110.9 | D960 K965 E966 D967 | D960-F963 WeakPolarHBondContact O-CB 3.46Å; D960-F963 PolarHBondContact O-N 3.05Å; F963-K965 VanDerWaalsContact C-N 3.26Å; F963-K965 PolarHBondContact O-N 3.04Å; F963-E966 PolarHBondContact O-N 2.95Å; F963-D967 PolarHBondContact O-N 2.78Å |
| 964 | L | 80.5 | Confident | 74.3 | Confident | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.9 | -35.3 | 177.8 | 176.4 | 61.3 | 0 | 0 | 0 | 112.6 | L916 Y935 V937 V948 F956 D960 D967 L968 | L916-L964 HydrophobicContact CD1-CD1 4.24Å; Y935-L964 HydrophobicContact CE2-CD1 4.13Å; V937-L964 HydrophobicContact CG2-CD1 3.66Å; V937-L964 HydrophobicContact CG2-CD2 3.97Å; V937-L964 HydrophobicContact CG2-CG 4.5Å; V948-L964 HydrophobicContact CG1-CD2 4.09Å; V948-L964 HydrophobicContact CG2-CD2 3.61Å; F956-L964 HydrophobicContact CE2-CD2 4.24Å; F956-L964 HydrophobicContact CZ-CD2 3.98Å; D960-L964 PolarHBondContact O-N 2.71Å; D960-L964 VanDerWaalsContact O-N 3.07Å; L964-D967 PolarHBondContact O-N 3.25Å; L964-L968 HydrophobicContact CD1-CD1 4.22Å; L964-L968 HydrophobicContact CD1-CG 4.08Å; L964-L968 HydrophobicContact CG-CD1 4.07Å; L964-L968 HydrophobicContact CG-CG 4.39Å; L964-L968 WeakPolarHBondContact O-CB 3.42Å; L964-L968 VanDerWaalsContact O-CG 3.25Å; L964-L968 WeakPolarHBondContact O-CG 3.39Å; L964-L968 PolarHBondContact O-N 3.16Å |
| 965 | K | 76.1 | Confident | 73.4 | Confident | 45 Ų | 45 | 68.9 Ų | 68.9 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 172.4 | -84.1 | 165.1 | 160.1 | 179.3 | 0 | 112.2 | Y961 E962 F963 L968 R969 | Y961-K965 HydrophobicContact CE1-CD 4.26Å; Y961-K965 PolarHBondContact O-N 2.93Å; E962-K965 PolarHBondContact O-N 3.04Å; E962-K965 IonicContact OE1-NZ 3.57Å; E962-K965 PolarHBondContact OE1-NZ 3.11Å; E962-K965 WeakPolarHBondContact OE2-CD 3.48Å; E962-K965 IonicContact OE2-NZ 3.29Å; E962-K965 PolarHBondContact OE2-NZ 3.1Å; F963-K965 VanDerWaalsContact C-N 3.26Å; F963-K965 PolarHBondContact O-N 3.04Å; K965-L968 PolarHBondContact O-N 3.2Å; K965-R969 WeakPolarHBondContact O-CB 3.46Å; K965-R969 PolarHBondContact O-N 3.31Å |
| 966 | E | 76.6 | Confident | 72.3 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 35% | 0.346 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.4 | -34.4 | 179.9 | -178.3 | 59 | -164.1 | 0 | 0 | 112.1 | E962 F963 R969 R970 | E962-E966 PolarHBondContact O-N 3.23Å; F963-E966 PolarHBondContact O-N 2.95Å; E966-R969 WeakPolarHBondContact O-CB 3.29Å; E966-R969 PolarHBondContact O-N 3.35Å; E966-R969 IonicContact OE1-CZ 3.75Å; E966-R969 IonicContact OE1-NE 2.76Å; E966-R969 IonicContact OE1-NH2 2.72Å; E966-R969 PolarHBondContact OE1-NH2 3.42Å; E966-R969 IonicContact OE2-CZ 3.94Å; E966-R969 IonicContact OE2-NE 3.83Å; E966-R969 PolarHBondContact OE2-NE 3.35Å; E966-R969 IonicContact OE2-NH2 3.88Å; E966-R969 PolarHBondContact OE2-NH2 2.97Å; E966-R970 WeakPolarHBondContact O-CB 3.26Å; E966-R970 PolarHBondContact O-N 3.41Å |
| 967 | D | 76.3 | Confident | 70.4 | Confident | 43 Ų | 43 | 75.3 Ų | 75.3 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.5 | -44.8 | 172.3 | -71 | -31.6 | 0 | 0 | 0 | 112 | F963 L964 R969 R970 E971 | F963-D967 PolarHBondContact O-N 2.78Å; L964-D967 PolarHBondContact O-N 3.25Å; D967-R969 PolarHBondContact O-N 2.85Å; D967-R970 WeakPolarHBondContact O-CB 3.5Å; D967-R970 PolarHBondContact O-N 3.44Å; D967-R970 VanDerWaalsContact O-N 3.16Å; D967-E971 PolarHBondContact O-N 2.63Å |
| 968 | L | 70.6 | Confident | 69.1 | Low | 15 Ų | 15 | 72 Ų | 72 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.2 | -32.1 | 171.5 | -69.9 | 172.1 | 0 | 0 | 0 | 111.6 | L916 V946 L964 K965 G972 L973 Y974 | L916-L968 HydrophobicContact CD1-CD2 3.88Å; L916-L968 HydrophobicContact CD1-CG 4.47Å; V946-L968 HydrophobicContact CG2-CD1 4.42Å; L964-L968 HydrophobicContact CD1-CD1 4.22Å; L964-L968 HydrophobicContact CD1-CG 4.08Å; L964-L968 HydrophobicContact CG-CD1 4.07Å; L964-L968 HydrophobicContact CG-CG 4.39Å; L964-L968 WeakPolarHBondContact O-CB 3.42Å; L964-L968 VanDerWaalsContact O-CG 3.25Å; L964-L968 WeakPolarHBondContact O-CG 3.39Å; L964-L968 PolarHBondContact O-N 3.16Å; K965-L968 PolarHBondContact O-N 3.2Å; L968-G972 PolarHBondContact O-N 3.43Å; L968-L973 HydrophobicContact CB-CB 4.34Å; L968-L973 HydrophobicContact CD2-CB 4.06Å; L968-L973 HydrophobicContact CD2-CD1 3.63Å; L968-L973 HydrophobicContact CD2-CG 4.5Å; L968-L973 WeakPolarHBondContact O-CA 3.39Å; L968-L973 WeakPolarHBondContact O-CB 3.26Å; L968-L973 PolarHBondContact O-N 3.12Å; L968-Y974 PolarHBondContact O-N 3.04Å |
| 969 | R | 71 | Confident | 67.7 | Low | 124 Ų | 124 | 72.9 Ų | 72.9 | 47% | 0.468 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.9 | -36.8 | 175 | -159.4 | -175.5 | 71 | 76.5 | 6.8 | 112.2 | K965 E966 D967 G972 Y974 | K965-R969 WeakPolarHBondContact O-CB 3.46Å; K965-R969 PolarHBondContact O-N 3.31Å; E966-R969 WeakPolarHBondContact O-CB 3.29Å; E966-R969 PolarHBondContact O-N 3.35Å; E966-R969 IonicContact OE1-CZ 3.75Å; E966-R969 IonicContact OE1-NE 2.76Å; E966-R969 IonicContact OE1-NH2 2.72Å; E966-R969 PolarHBondContact OE1-NH2 3.42Å; E966-R969 IonicContact OE2-CZ 3.94Å; E966-R969 IonicContact OE2-NE 3.83Å; E966-R969 PolarHBondContact OE2-NE 3.35Å; E966-R969 IonicContact OE2-NH2 3.88Å; E966-R969 PolarHBondContact OE2-NH2 2.97Å; D967-R969 PolarHBondContact O-N 2.85Å; R969-G972 PolarHBondContact O-N 3.07Å; R969-Y974 WeakPolarHBondContact CA-O 3.33Å; R969-Y974 HydrophobicContact CB-CD1 4.19Å; R969-Y974 HydrophobicContact CG-CD1 4.12Å; R969-Y974 WeakPolarHBondContact CG-O 2.97Å |
| 970 | R | 71.5 | Confident | 66.2 | Low | 176 Ų | 176 | 74.7 Ų | 74.7 | 66% | 0.664 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.3 | -40.5 | 176.1 | -171.7 | 178.4 | -60.9 | -173.6 | 5.2 | 112.5 | E966 D967 G972 | E966-R970 WeakPolarHBondContact O-CB 3.26Å; E966-R970 PolarHBondContact O-N 3.41Å; D967-R970 WeakPolarHBondContact O-CB 3.5Å; D967-R970 PolarHBondContact O-N 3.44Å; D967-R970 VanDerWaalsContact O-N 3.16Å; R970-G972 PolarHBondContact O-N 3.41Å |
| 971 | E | 67.3 | Low | 64.2 | Low | 102 Ų | 102 | 77.4 Ų | 77.4 | 48% | 0.477 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 2.1 | 173.9 | -66.6 | -60.2 | 134.2 | 0 | 0 | 113.5 | D967 L973 | D967-E971 PolarHBondContact O-N 2.63Å; E971-L973 VanDerWaalsContact C-N 3.27Å; E971-L973 HydrophobicContact CB-CD1 4.42Å; E971-L973 PolarHBondContact O-N 3.16Å |
| 972 | G | 61.5 | Low | 62.4 | Low | 45 Ų | 45 | 82.5 Ų | 82.5 | 46% | 0.464 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L968 R969 R970 | L968-G972 PolarHBondContact O-N 3.43Å; R969-G972 PolarHBondContact O-N 3.07Å; R970-G972 PolarHBondContact O-N 3.41Å |
| 973 | L | 60.1 | Low | 60.8 | Low | 40 Ų | 40 | 80.7 Ų | 80.7 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -77.7 | -26.9 | 175.9 | -65 | 169.5 | 0 | 0 | 0 | 112.1 | I915 Y944 L968 E971 | I915-L973 HydrophobicContact CD1-CD1 4.35Å; Y944-L973 PolarHBondContact OH-O 2.89Å; L968-L973 HydrophobicContact CB-CB 4.34Å; L968-L973 HydrophobicContact CD2-CB 4.06Å; L968-L973 HydrophobicContact CD2-CD1 3.63Å; L968-L973 HydrophobicContact CD2-CG 4.5Å; L968-L973 WeakPolarHBondContact O-CA 3.39Å; L968-L973 WeakPolarHBondContact O-CB 3.26Å; L968-L973 PolarHBondContact O-N 3.12Å; E971-L973 VanDerWaalsContact C-N 3.27Å; E971-L973 HydrophobicContact CB-CD1 4.42Å; E971-L973 PolarHBondContact O-N 3.16Å |
| 974 | Y | 58.1 | Low | 59.1 | Low | 36 Ų | 36 | 76.2 Ų | 76.2 | 14% | 0.141 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -114.3 | 129.4 | 172.1 | -169.8 | -93.8 | 0 | 0 | 0 | 109.4 | L968 R969 E979 | L968-Y974 PolarHBondContact O-N 3.04Å; R969-Y974 WeakPolarHBondContact CA-O 3.33Å; R969-Y974 HydrophobicContact CB-CD1 4.19Å; R969-Y974 HydrophobicContact CG-CD1 4.12Å; R969-Y974 WeakPolarHBondContact CG-O 2.97Å; Y974-E979 HydrophobicContact CE1-CG 4Å |
| 975 | N | 55.3 | Low | 57.8 | Low | 46 Ų | 46 | 80 Ų | 80 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | trans | -158.7 | 178.6 | -174.7 | 69.8 | 14 | 0 | 0 | 0 | 112.9 | P809 L977 T978 E979 | P809-N975 WeakPolarHBondContact CG-ND2 3.4Å; N975-L977 PolarHBondContact O-N 3.01Å; N975-L977 WeakPolarHBondContact OD1-CB 3.2Å; N975-L977 PolarHBondContact OD1-N 3.19Å; N975-T978 PolarHBondContact N-OG1 3.19Å; N975-T978 PolarHBondContact O-N 3.28Å; N975-T978 PolarHBondContact O-OG1 3.13Å; N975-T978 PolarHBondContact OD1-N 3.24Å; N975-T978 PolarHBondContact OD1-OG1 2.91Å; N975-E979 PolarHBondContact O-N 3.01Å | ||
| 976 | Q | 53.2 | Low | 56.8 | Low | 154 Ų | 154 | 80.7 Ų | 80.7 | 72% | 0.72 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.1 | -23.8 | -179.4 | -73.7 | -173.6 | -20.2 | 0 | 0 | 114.5 | L980 | Q976-L980 VanDerWaalsContact O-CB 3.29Å; Q976-L980 WeakPolarHBondContact O-CB 3.43Å; Q976-L980 WeakPolarHBondContact O-CG 3.44Å; Q976-L980 PolarHBondContact O-N 3.31Å |
| 977 | L | 42.7 | Very low | 55.6 | Low | 70 Ų | 70 | 79 Ų | 79 | 37% | 0.366 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -74.4 | -35.4 | 175.4 | -163.3 | 71.2 | 0 | 0 | 0 | 111.4 | P809 N975 L981 | P809-L977 HydrophobicContact CG-CB 4.43Å; P809-L977 HydrophobicContact CG-CD2 4.05Å; N975-L977 PolarHBondContact O-N 3.01Å; N975-L977 WeakPolarHBondContact OD1-CB 3.2Å; N975-L977 PolarHBondContact OD1-N 3.19Å; L977-L981 VanDerWaalsContact O-CG 3.32Å; L977-L981 WeakPolarHBondContact O-CG 3.33Å; L977-L981 PolarHBondContact O-N 2.93Å |
| 978 | T | 48.1 | Very low | 54.3 | Low | 6 Ų | 6 | 80.3 Ų | 80.3 | 4% | 0.037 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -73.6 | -30.4 | 172.7 | 17.4 | 0 | 0 | 0 | 0 | 112.2 | Y944 N975 T983 | Y944-T978 HydrophobicContact CE1-CG2 4.32Å; N975-T978 PolarHBondContact N-OG1 3.19Å; N975-T978 PolarHBondContact O-N 3.28Å; N975-T978 PolarHBondContact O-OG1 3.13Å; N975-T978 PolarHBondContact OD1-N 3.24Å; N975-T978 PolarHBondContact OD1-OG1 2.91Å; T978-T983 PolarHBondContact O-N 2.86Å; T978-T983 PolarHBondContact O-OG1 2.97Å |
| 979 | E | 50.4 | Low | 52.8 | Low | 94 Ų | 94 | 84.7 Ų | 84.7 | 44% | 0.439 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.1 | -44 | 170.3 | -64.6 | 178.8 | 140.5 | 0 | 0 | 112.2 | Y974 N975 L981 Q982 | Y974-E979 HydrophobicContact CE1-CG 4Å; N975-E979 PolarHBondContact O-N 3.01Å; E979-L981 PolarHBondContact O-N 3.34Å; E979-Q982 PolarHBondContact O-N 3.43Å |
| 980 | L | 46.3 | Very low | 51.5 | Low | 139 Ų | 139 | 83.2 Ų | 83.2 | 73% | 0.728 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.3 | -30 | 176 | -90.3 | 164.2 | 0 | 0 | 0 | 113.5 | Q976 Q982 | Q976-L980 VanDerWaalsContact O-CB 3.29Å; Q976-L980 WeakPolarHBondContact O-CB 3.43Å; Q976-L980 WeakPolarHBondContact O-CG 3.44Å; Q976-L980 PolarHBondContact O-N 3.31Å; L980-Q982 VanDerWaalsContact C-N 3.33Å |
| 981 | L | 41.6 | Very low | 49.9 | Very low | 91 Ų | 91 | 81.3 Ų | 81.3 | 48% | 0.476 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3.6 | 176.7 | -68.1 | 171 | 0 | 0 | 0 | 113.5 | L977 E979 T983 | L977-L981 VanDerWaalsContact O-CG 3.32Å; L977-L981 WeakPolarHBondContact O-CG 3.33Å; L977-L981 PolarHBondContact O-N 2.93Å; E979-L981 PolarHBondContact O-N 3.34Å; L981-T983 HydrophobicContact CB-CG2 4.02Å; L981-T983 PolarHBondContact O-N 2.87Å; L981-T983 VanDerWaalsContact O-N 3.11Å |
| 982 | Q | 43 | Very low | 48.3 | Very low | 163 Ų | 163 | 80.2 Ų | 80.2 | 76% | 0.762 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 21.5 | -174.9 | -61.1 | -171.7 | -18.3 | 0 | 0 | 114.7 | E979 L980 S984 | E979-Q982 PolarHBondContact O-N 3.43Å; L980-Q982 VanDerWaalsContact C-N 3.33Å; Q982-S984 PolarHBondContact O-N 3.08Å |
| 983 | T | 46.1 | Very low | 46.6 | Very low | 79 Ų | 79 | 84.9 Ų | 84.9 | 49% | 0.485 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 33.6 | -178.9 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | T978 L981 | T978-T983 PolarHBondContact O-N 2.86Å; T978-T983 PolarHBondContact O-OG1 2.97Å; L981-T983 HydrophobicContact CB-CG2 4.02Å; L981-T983 PolarHBondContact O-N 2.87Å; L981-T983 VanDerWaalsContact O-N 3.11Å |
| 984 | S | 45.5 | Very low | 45 | Very low | 52 Ų | 52 | 86.6 Ų | 86.6 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 2.6 | -177.8 | 56.2 | 0 | 0 | 0 | 0 | 114 | Y961 Q982 | Y961-S984 PolarHBondContact OH-O 2.89Å; Q982-S984 PolarHBondContact O-N 3.08Å |
| 985 | S | 52.9 | Low | 43.5 | Very low | 85 Ų | 85 | 94 Ų | 94 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -85.4 | 162.6 | 172.6 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | A987 | S985-A987 PolarHBondContact O-N 3.49Š|
| 986 | T | 54.4 | Low | 42.2 | Very low | 60 Ų | 60 | 100.1 Ų | 100.1 | 37% | 0.368 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 128.5 | 166.8 | 38.7 | 0 | 0 | 0 | 0 | 110.3 | G881 F957 D988 | G881-T986 WeakPolarHBondContact O-CB 3.37Å; G881-T986 PolarHBondContact O-OG1 2.84Å; F957-T986 HydrophobicContact CE1-CG2 4.11Å; F957-T986 HydrophobicContact CZ-CG2 4.06Å; T986-D988 PolarHBondContact O-N 3.23Å |
| 987 | A | 51.6 | Low | 41 | Very low | 39 Ų | 39 | 96.7 Ų | 96.7 | 32% | 0.322 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 116.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G881 P945 S985 | G881-A987 PolarHBondContact N-O 3.45Å; P945-A987 HydrophobicContact CG-CB 3.95Å; S985-A987 PolarHBondContact O-N 3.49Å |
| 988 | D | 48.8 | Very low | 40.3 | Very low | 71 Ų | 71 | 99.1 Ų | 99.1 | 38% | 0.38 | 54% | 0.544 | S | S | . | . | trans | -97.1 | 105.6 | 170.1 | -177.2 | -3.9 | 0 | 0 | 0 | 110.1 | T986 S990 L991 | T986-D988 PolarHBondContact O-N 3.23Å; D988-S990 PolarHBondContact O-N 2.97Å; D988-S990 VanDerWaalsContact OD1-CB 3.25Å; D988-S990 WeakPolarHBondContact OD1-CB 3.31Å; D988-S990 PolarHBondContact OD1-N 3.47Å; D988-S990 PolarHBondContact OD1-OG 2.91Å; D988-S990 PolarHBondContact OD2-OG 2.03Å; D988-S990 VanDerWaalsContact OD2-OG 3.1Å; D988-L991 HydrophobicContact CB-CD1 4.37Å; D988-L991 PolarHBondContact O-N 3.48Å | ||
| 989 | W | 39.2 | Very low | 39.5 | Very low | 106 Ų | 106 | 101 Ų | 101 | 40% | 0.402 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -70.9 | -8.9 | 179.6 | -64.2 | 93.7 | 0 | 0 | 0 | 113.8 | R943 L991 | R943-W989 HydrophobicContact CG-CH2 4.44Å; W989-L991 VanDerWaalsContact C-N 3.31Å |
| 990 | S | 43.1 | Very low | 38.6 | Very low | 93 Ų | 93 | 101.9 Ų | 101.9 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -74.1 | -22.5 | 174.3 | 75.3 | 0 | 0 | 0 | 0 | 113 | D988 C992 | D988-S990 PolarHBondContact O-N 2.97Å; D988-S990 VanDerWaalsContact OD1-CB 3.25Å; D988-S990 WeakPolarHBondContact OD1-CB 3.31Å; D988-S990 PolarHBondContact OD1-N 3.47Å; D988-S990 PolarHBondContact OD1-OG 2.91Å; D988-S990 PolarHBondContact OD2-OG 2.03Å; D988-S990 VanDerWaalsContact OD2-OG 3.1Å; S990-C992 VanDerWaalsContact C-N 3.28Å; S990-C992 PolarHBondContact O-N 2.66Å |
| 991 | L | 38.5 | Very low | 37.9 | Very low | 136 Ų | 136 | 99.2 Ų | 99.2 | 71% | 0.712 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -86.5 | 13.7 | 179.8 | -73.7 | 168.4 | 0 | 0 | 0 | 114.1 | D988 W989 D993 | D988-L991 HydrophobicContact CB-CD1 4.37Å; D988-L991 PolarHBondContact O-N 3.48Å; W989-L991 VanDerWaalsContact C-N 3.31Å; L991-D993 PolarHBondContact O-N 3.29Å |
| 992 | C | 33 | Very low | 37.3 | Very low | 79 Ų | 79 | 96.7 Ų | 96.7 | 53% | 0.534 | 55% | 0.554 | S | S | . | * | trans | -74.6 | 55.6 | 172.4 | -69.9 | 0 | 0 | 0 | 0 | 112.9 | S990 | S990-C992 VanDerWaalsContact C-N 3.28Å; S990-C992 PolarHBondContact O-N 2.66Å | ||
| 993 | D | 27.7 | Very low | 36.7 | Very low | 143 Ų | 143 | 91.9 Ų | 91.9 | 77% | 0.765 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -119.9 | 156.3 | 175.8 | -160.3 | 1.9 | 0 | 0 | 0 | 111.7 | L991 K995 | L991-D993 PolarHBondContact O-N 3.29Å; D993-K995 VanDerWaalsContact C-N 3.34Å; D993-K995 PolarHBondContact O-N 3.04Å |
| 994 | A | 26.7 | Very low | 35.9 | Very low | 77 Ų | 77 | 95.9 Ų | 95.9 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -81.7 | 50.4 | -146.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 995 | K | 26.2 | Very low | 35 | Very low | 190 Ų | 190 | 98.7 Ų | 98.7 | 83% | 0.826 | 57% | 0.566 | S | S | * | * | trans | -86.6 | -15.9 | -171.2 | -96.9 | -178 | 177 | 175.3 | 0 | 118.5 | D993 | D993-K995 VanDerWaalsContact C-N 3.34Å; D993-K995 PolarHBondContact O-N 3.04Å | ||
| 996 | H | 28.1 | Very low | 33.8 | Very low | 175 Ų | 175 | 99.1 Ų | 99.1 | 81% | 0.81 | 56% | 0.561 | S | S | * | * | trans | -133.2 | 106.3 | -178.1 | -67.8 | -81.9 | 0 | 0 | 0 | 113.1 | ||||
| 997 | T | 27.7 | Very low | 32.5 | Very low | 83 Ų | 83 | 103.2 Ų | 103.2 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | trans | -86.7 | 144.1 | 176.2 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | G999 N1000 | T997-G999 PolarHBondContact O-N 2.92Å; T997-N1000 PolarHBondContact O-N 3.07Å | ||
| 998 | L | 27.1 | Very low | 31.1 | Very low | 120 Ų | 120 | 110.2 Ų | 110.2 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -53 | -23.3 | 179.3 | -117 | 73.6 | 0 | 0 | 0 | 115.1 | L815 N1000 V1001 A1002 | L815-L998 HydrophobicContact CD2-CD1 4.07Å; L998-N1000 VanDerWaalsContact C-N 3.26Å; L998-N1000 PolarHBondContact O-N 2.84Å; L998-V1001 PolarHBondContact O-N 2.84Å; L998-A1002 WeakPolarHBondContact O-CB 3.37Å; L998-A1002 PolarHBondContact O-N 2.82Å |
| 999 | G | 32.2 | Very low | 29.9 | Very low | 45 Ų | 45 | 113.3 Ų | 113.3 | 46% | 0.464 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -54.6 | -37.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T997 A1003 | T997-G999 PolarHBondContact O-N 2.92Å; G999-A1003 VanDerWaalsContact O-CB 3.26Å; G999-A1003 WeakPolarHBondContact O-CB 3.44Å; G999-A1003 PolarHBondContact O-N 2.82Å |
| 1000 | N | 30.9 | Very low | 29.2 | Very low | 114 Ų | 114 | 116.8 Ų | 116.8 | 61% | 0.61 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.7 | -36.6 | -177.6 | -67.6 | 5.5 | 0 | 0 | 0 | 112.1 | T997 L998 Q1004 | T997-N1000 PolarHBondContact O-N 3.07Å; L998-N1000 VanDerWaalsContact C-N 3.26Å; L998-N1000 PolarHBondContact O-N 2.84Å; N1000-Q1004 PolarHBondContact O-N 2.92Å |
| 1001 | V | 31.4 | Very low | 28.2 | Very low | 82 Ų | 82 | 121.8 Ų | 121.8 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -72.4 | -42.4 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | L998 A1003 Q1004 L1005 | L998-V1001 PolarHBondContact O-N 2.84Å; V1001-A1003 VanDerWaalsContact C-N 3.34Å; V1001-A1003 PolarHBondContact O-N 2.04Å; V1001-Q1004 PolarHBondContact O-N 3.42Å; V1001-L1005 HydrophobicContact CG1-CD1 4.18Å; V1001-L1005 PolarHBondContact O-N 3.14Å |
| 1002 | A | 29.7 | Very low | 27.4 | Very low | 39 Ų | 39 | 118.8 Ų | 118.8 | 32% | 0.322 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -62.6 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L998 L1005 L1006 | L998-A1002 WeakPolarHBondContact O-CB 3.37Å; L998-A1002 PolarHBondContact O-N 2.82Å; A1002-L1005 PolarHBondContact O-N 2.72Å; A1002-L1006 HydrophobicContact CB-CD1 4.25Å; A1002-L1006 VanDerWaalsContact O-CB 3.28Å; A1002-L1006 WeakPolarHBondContact O-CB 3.3Å; A1002-L1006 VanDerWaalsContact O-CG 3.31Å; A1002-L1006 WeakPolarHBondContact O-CG 3Å; A1002-L1006 PolarHBondContact O-N 2.98Å |
| 1003 | A | 29.6 | Very low | 26.8 | Very low | 61 Ų | 61 | 125.7 Ų | 125.7 | 50% | 0.504 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -61.8 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G999 V1001 L1005 | G999-A1003 VanDerWaalsContact O-CB 3.26Å; G999-A1003 WeakPolarHBondContact O-CB 3.44Å; G999-A1003 PolarHBondContact O-N 2.82Å; V1001-A1003 VanDerWaalsContact C-N 3.34Å; V1001-A1003 PolarHBondContact O-N 2.04Å; A1003-L1005 VanDerWaalsContact C-N 3.34Å; A1003-L1005 PolarHBondContact O-N 2.04Å |
| 1004 | Q | 28.9 | Very low | 26.4 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.1 | -27.1 | 179.5 | -72.2 | -174.7 | -15.2 | 0 | 0 | 113.8 | N1000 V1001 | N1000-Q1004 PolarHBondContact O-N 2.92Å; V1001-Q1004 PolarHBondContact O-N 3.42Å |
| 1005 | L | 27.3 | Very low | 26 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 58% | 0.581 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -88.9 | -38.7 | 178.3 | -78.4 | 165.3 | 0 | 0 | 0 | 113.7 | V1001 A1002 A1003 | V1001-L1005 HydrophobicContact CG1-CD1 4.18Å; V1001-L1005 PolarHBondContact O-N 3.14Å; A1002-L1005 PolarHBondContact O-N 2.72Å; A1003-L1005 VanDerWaalsContact C-N 3.34Å; A1003-L1005 PolarHBondContact O-N 2.04Å |
| 1006 | L | 28.2 | Very low | 25.7 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 49% | 0.487 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -76.2 | -27.4 | -173.7 | -71.9 | 169 | 0 | 0 | 0 | 113.7 | A1002 K1008 L1009 F1010 | A1002-L1006 HydrophobicContact CB-CD1 4.25Å; A1002-L1006 VanDerWaalsContact O-CB 3.28Å; A1002-L1006 WeakPolarHBondContact O-CB 3.3Å; A1002-L1006 VanDerWaalsContact O-CG 3.31Å; A1002-L1006 WeakPolarHBondContact O-CG 3Å; A1002-L1006 PolarHBondContact O-N 2.98Å; L1006-K1008 PolarHBondContact O-N 2.94Å; L1006-K1008 VanDerWaalsContact O-N 3.11Å; L1006-L1009 PolarHBondContact O-N 2.79Å; L1006-F1010 HydrophobicContact CD2-CE2 4.16Å |
| 1007 | D | 26.6 | Very low | 25.3 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 78% | 0.781 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -17.9 | 178.3 | -165.7 | 58.9 | 0 | 0 | 0 | 113.3 | ||
| 1008 | K | 23.4 | Very low | 25.1 | Very low | 186 Ų | 186 | 124.7 Ų | 124.7 | 81% | 0.809 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -2.5 | 180 | -70.8 | -170.3 | 175.4 | 179.1 | 0 | 116.1 | L1006 | L1006-K1008 PolarHBondContact O-N 2.94Å; L1006-K1008 VanDerWaalsContact O-N 3.11Å |
| 1009 | L | 22.6 | Very low | 24.8 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 72% | 0.717 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | -3 | -174.1 | -77 | 170.6 | 0 | 0 | 0 | 115.7 | L1006 Q1011 | L1006-L1009 PolarHBondContact O-N 2.79Å; L1009-Q1011 PolarHBondContact O-N 3.09Å |
| 1010 | F | 25 | Very low | 24.3 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | trans | -94.8 | 72.9 | 172.7 | -85.5 | -66.2 | 0 | 0 | 0 | 113.6 | L1006 | L1006-F1010 HydrophobicContact CD2-CE2 4.16Š| ||
| 1011 | Q | 22 | Very low | 24 | Very low | 198 Ų | 198 | 127.7 Ų | 127.7 | 93% | 0.925 | 66% | 0.655 | S | S | * | * | trans | -128.4 | 82.5 | 161.6 | -71.5 | -160 | 4.8 | 0 | 0 | 112.8 | L1009 | L1009-Q1011 PolarHBondContact O-N 3.09Š| ||
| 1012 | G | 22.1 | Very low | 23.7 | Very low | 74 Ų | 74 | 125.4 Ų | 125.4 | 76% | 0.763 | 64% | 0.642 | S | S | * | * | trans | 90 | 170.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1013 | R | 18.8 | Very low | 23.3 | Very low | 224 Ų | 224 | 127.2 Ų | 127.2 | 85% | 0.845 | 65% | 0.649 | S | S | * | * | cis | -169 | 156.4 | -11.5 | -147.7 | -176.1 | -169.7 | -179.2 | 4.7 | 109.3 | ||||
| 1014 | L | 19.4 | Very low | 23 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | trans | 70.5 | 160.3 | 165.1 | -45.2 | 165.6 | 0 | 0 | 0 | 115.2 | ||||
| 1015 | K | 19.2 | Very low | 22.6 | Very low | 146 Ų | 146 | 126 Ų | 126 | 64% | 0.635 | 64% | 0.644 | S | S | * | * | cis | -162.9 | 162.7 | -25.8 | -116.5 | 174.5 | 169.1 | -90.8 | 0 | 110.5 | ||||
| 1016 | E | 19.6 | Very low | 22.3 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | trans | 31.1 | 122.2 | 150 | -77.3 | 128.6 | -152.6 | 0 | 0 | 123 | ||||
| 1017 | P | 20.1 | Very low | 21.9 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 54% | 0.539 | 65% | 0.649 | S | S | . | * | trans | -93.3 | 163.3 | 159.9 | 38.4 | -34.6 | 0 | 0 | 0 | 113.2 | W714 | W714-P1017 HydrophobicContact CZ2-CG 3.77Å; W714-P1017 VanDerWaalsContact NE1-CG 3.26Å | ||
| 1018 | H | 22.3 | Very low | 21.6 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | trans | -147.3 | 154.8 | -175 | -84.7 | -74.7 | 0 | 0 | 0 | 115.6 | ||||
| 1019 | L | 22.5 | Very low | 21.4 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 73% | 0.728 | 65% | 0.645 | S | S | * | * | trans | 67.8 | 125.5 | 167.3 | -87.9 | 52.2 | 0 | 0 | 0 | 117.4 | ||||
| 1020 | L | 20.9 | Very low | 21.4 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 51% | 0.513 | 65% | 0.646 | S | S | . | * | cis | 74.7 | 143.3 | 38 | -54.7 | 174.7 | 0 | 0 | 0 | 112.1 | S712 | S712-L1020 VanDerWaalsContact CB-N 3.35Š| ||
| 1021 | L | 24.3 | Very low | 21.1 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 55% | 0.55 | 64% | 0.643 | S | S | . | * | cis | -163.9 | -164.6 | 4.2 | -113.5 | 172.9 | 0 | 0 | 0 | 109.1 | F711 | F711-L1021 HydrophobicContact CD1-CD2 4.43Å; F711-L1021 HydrophobicContact CE1-CD2 3.63Å; F711-L1021 HydrophobicContact CZ-CD2 3.82Å | ||
| 1022 | P | 24.9 | Very low | 21.1 | Very low | 34 Ų | 34 | 115.5 Ų | 115.5 | 22% | 0.221 | 63% | 0.626 | C | S | . | * | trans | -139.7 | -133.3 | -141.6 | 47.6 | -25.2 | 0 | 0 | 0 | 116.6 | A710 F711 | A710-P1022 WeakPolarHBondContact O-CA 3.5Å; A710-P1022 WeakPolarHBondContact O-CB 3.45Å; F711-P1022 HydrophobicContact CB-CB 4.34Å; F711-P1022 HydrophobicContact CD1-CB 4.33Å; F711-P1022 HydrophobicContact CD2-CB 3.19Å; F711-P1022 HydrophobicContact CD2-CG 3.68Å; F711-P1022 HydrophobicContact CE1-CB 4.49Å; F711-P1022 HydrophobicContact CE1-CG 4.25Å; F711-P1022 HydrophobicContact CE2-CB 3.42Å; F711-P1022 VanDerWaalsContact CE2-CB 3.42Å; F711-P1022 HydrophobicContact CE2-CG 3.29Å; F711-P1022 HydrophobicContact CG-CB 3.7Å; F711-P1022 HydrophobicContact CG-CG 4.31Å; F711-P1022 HydrophobicContact CZ-CB 4.08Å; F711-P1022 HydrophobicContact CZ-CG 3.61Å | ||
| 1023 | V | 22.7 | Very low | 21 | Very low | 78 Ų | 78 | 119.7 Ų | 119.7 | 47% | 0.473 | 62% | 0.623 | S | S | . | * | trans | 110.5 | 81.4 | 158 | -175.8 | 0 | 0 | 0 | 0 | 119.5 | Y709 | Y709-V1023 VanDerWaalsContact CD1-O 3.25Å; Y709-V1023 WeakPolarHBondContact CD1-O 3.36Å; Y709-V1023 WeakPolarHBondContact CD2-O 3.13Å; Y709-V1023 VanDerWaalsContact CE1-O 3.26Å; Y709-V1023 WeakPolarHBondContact CE1-O 3.42Å; Y709-V1023 WeakPolarHBondContact CE2-O 3.4Å | ||
| 1024 | D | 21.6 | Very low | 21.1 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 49% | 0.492 | 63% | 0.626 | S | S | . | * | 70.2 | 116.1 | 116.8 | -50.8 | -14 | 0 | 0 | 0 | 124.6 | |||||
| 1025 | T | 20.7 | Very low | 21.4 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 66% | 0.656 | 63% | 0.627 | S | S | * | * | 77.6 | 135.9 | 121.9 | 66.1 | 0 | 0 | 0 | 0 | 124.4 | D708 | D708-T1025 PolarHBondContact OD1-N 2.81Š| |||
| 1026 | G | 20.8 | Very low | 21.9 | Very low | 51 Ų | 51 | 115.8 Ų | 115.8 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | trans | 92.9 | 163.8 | 139.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1027 | A | 20.9 | Very low | 21.9 | Very low | 79 Ų | 79 | 113.8 Ų | 113.8 | 65% | 0.653 | 64% | 0.636 | S | S | * | * | cis | -169.6 | 178 | -18.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1028 | I | 20.3 | Very low | 21.9 | Very low | 155 Ų | 155 | 118.4 Ų | 118.4 | 80% | 0.795 | 65% | 0.651 | S | S | * | * | trans | 76.9 | 97.3 | 155 | -56.9 | 160.1 | 0 | 0 | 0 | 119.9 | ||||
| 1029 | N | 19.1 | Very low | 22 | Very low | 134 Ų | 134 | 116.4 Ų | 116.4 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | 55.3 | 141.4 | 108.3 | -153.8 | 0.1 | 0 | 0 | 0 | 123.5 | |||||
| 1030 | K | 21.5 | Very low | 22.6 | Very low | 167 Ų | 167 | 115.2 Ų | 115.2 | 73% | 0.726 | 65% | 0.654 | S | S | * | * | trans | 109 | 111.3 | 150 | -63.6 | -173.7 | 179.3 | 175.7 | 0 | 121.9 | ||||
| 1031 | N | 19.5 | Very low | 22.7 | Very low | 134 Ų | 134 | 116.1 Ų | 116.1 | 72% | 0.717 | 67% | 0.667 | S | S | * | * | 58.2 | 143 | 121.7 | -60 | 11.8 | 0 | 0 | 0 | 125.3 | |||||
| 1032 | D | 21.3 | Very low | 22.8 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 58% | 0.583 | 68% | 0.68 | S | S | * | * | trans | 90.4 | 112.3 | 133.8 | -89.2 | -26.6 | 0 | 0 | 0 | 123.7 | ||||
| 1033 | K | 20.4 | Very low | 22.7 | Very low | 161 Ų | 161 | 124.9 Ų | 124.9 | 70% | 0.7 | 71% | 0.71 | S | S | * | * | 81.3 | 131.7 | 126.5 | -72.8 | 162.6 | -174.8 | 134.6 | 0 | 123.5 | |||||
| 1034 | K | 20.2 | Very low | 22.7 | Very low | 207 Ų | 207 | 128.9 Ų | 128.9 | 90% | 0.9 | 73% | 0.728 | S | S | * | * | trans | 82.2 | 133.4 | 144.1 | -75 | 179.9 | 174.7 | -173.8 | 0 | 122.3 | ||||
| 1035 | S | 26.3 | Very low | 22.9 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -106 | -175.7 | 152.1 | 56.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1036 | P | 30.2 | Very low | 23.3 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | cis | -131.2 | -149.3 | -0.6 | 43.7 | -24.2 | 0 | 0 | 0 | 113.7 | ||||
| 1037 | A | 19.9 | Very low | 23.4 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | trans | 74.9 | 138.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1038 | E | 20 | Very low | 23.6 | Very low | 179 Ų | 179 | 138 Ų | 138 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | cis | 94.6 | 139.2 | 20.8 | -60.5 | 151.1 | 73 | 0 | 0 | 113.5 | ||||
| 1039 | S | 24.9 | Very low | 24.1 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | cis | -154 | -174.2 | 16.9 | 80.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1040 | P | 33.2 | Very low | 25.3 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | trans | -96.4 | -165.1 | -172.9 | 43.1 | -38.5 | 0 | 0 | 0 | 113.7 | ||||
| 1041 | P | 24.5 | Very low | 26.7 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | cis | -129.6 | -170.7 | -10.1 | 43.8 | -28.2 | 0 | 0 | 0 | 114.3 | ||||
| 1042 | L | 25.2 | Very low | 28.8 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 83% | 0.827 | 72% | 0.722 | S | S | * | * | trans | -170.2 | 113.8 | 151.7 | -108.8 | 171.3 | 0 | 0 | 0 | 116.5 | ||||
| 1043 | L | 22.6 | Very low | 31.1 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 86% | 0.859 | 71% | 0.713 | S | S | * | * | trans | 43.6 | 157.2 | 147.5 | -67.7 | 172.5 | 0 | 0 | 0 | 127.1 | ||||
| 1044 | L | 23.2 | Very low | 33.1 | Very low | 162 Ų | 162 | 115.2 Ų | 115.2 | 85% | 0.848 | 68% | 0.683 | S | S | * | * | trans | -95.9 | -179.2 | -178.6 | -74.7 | 160.3 | 0 | 0 | 0 | 111.8 | ||||
| 1045 | P | 25.6 | Very low | 35.3 | Very low | 116 Ų | 116 | 107.6 Ų | 107.6 | 75% | 0.753 | 66% | 0.663 | S | S | * | * | cis | -141 | -148.1 | 22.8 | 36.7 | -9.2 | 0 | 0 | 0 | 114.8 | ||||
| 1046 | P | 30.6 | Very low | 37.6 | Very low | 106 Ų | 106 | 103.5 Ų | 103.5 | 69% | 0.688 | 64% | 0.638 | S | S | * | * | -128.2 | 163.9 | -77.3 | 40.4 | -25.2 | 0 | 0 | 0 | 117 | |||||
| 1047 | T | 22.9 | Very low | 39.5 | Very low | 120 Ų | 120 | 102.8 Ų | 102.8 | 74% | 0.736 | 63% | 0.627 | S | S | * | * | trans | 7.8 | 133.4 | 153.6 | 58.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1048 | L | 25.1 | Very low | 42.3 | Very low | 178 Ų | 178 | 99.2 Ų | 99.2 | 93% | 0.932 | 60% | 0.597 | S | S | * | * | trans | -120.5 | 141.4 | 131.4 | -154.9 | 78.8 | 0 | 0 | 0 | 108.1 | ||||
| 1049 | T | 29.4 | Very low | 44.9 | Very low | 120 Ų | 120 | 95.2 Ų | 95.2 | 74% | 0.736 | 59% | 0.589 | S | S | * | * | trans | -90.6 | 130 | -163 | 40.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1050 | G | 44 | Very low | 47.1 | Very low | 60 Ų | 60 | 93 Ų | 93 | 62% | 0.619 | 57% | 0.569 | S | S | * | * | trans | -101.5 | 107.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1051 | I | 50.8 | Low | 49.1 | Very low | 105 Ų | 105 | 92.3 Ų | 92.3 | 54% | 0.538 | 56% | 0.559 | S | S | . | * | trans | -62 | 132.6 | -178.7 | -71.1 | 167.6 | 0 | 0 | 0 | 112.1 | S1065 F1067 | I1051-S1065 WeakPolarHBondContact CD1-O 3.47Å; I1051-S1065 VanDerWaalsContact CG1-O 3.31Å; I1051-S1065 WeakPolarHBondContact CG1-O 3.31Å; I1051-S1065 WeakPolarHBondContact CG2-O 3.5Å; I1051-F1067 HydrophobicContact CG2-CD2 4.23Å; I1051-F1067 HydrophobicContact CG2-CE2 3.37Å; I1051-F1067 HydrophobicContact CG2-CZ 3.92Å | ||
| 1052 | V | 65.4 | Low | 51.4 | Low | 24 Ų | 24 | 93.6 Ų | 93.6 | 15% | 0.145 | 55% | 0.554 | C | S | . | * | trans | -104.9 | 121.3 | -172.8 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | G1056 I1057 D1063 F1067 C1076 | V1052-G1056 VanDerWaalsContact CG1-C 3.47Å; V1052-I1057 WeakPolarHBondContact CG1-O 3.35Å; V1052-D1063 HydrophobicContact CB-CB 4.48Å; V1052-D1063 WeakPolarHBondContact CB-O 3.43Å; V1052-D1063 HydrophobicContact CG2-CB 4.03Å; V1052-D1063 PolarHBondContact N-O 3.39Å; V1052-F1067 WeakPolarHBondContact O-CD2 3.5Å; V1052-F1067 VanDerWaalsContact O-CE2 3.22Å; V1052-F1067 WeakPolarHBondContact O-CE2 3.03Å; V1052-C1076 PolarHBondContact O-SG 3.4Å; V1052-C1076 VanDerWaalsContact O-SG 3.39Å | ||
| 1053 | P | 67.9 | Low | 53.5 | Low | 63 Ų | 63 | 88.1 Ų | 88.1 | 41% | 0.409 | 53% | 0.526 | S | S | . | . | trans | -75.2 | 159.7 | -178.9 | 30.7 | -35.5 | 0 | 0 | 0 | 113.7 | G1055 G1056 F1067 | P1053-G1055 PolarHBondContact O-N 2.91Å; P1053-G1055 VanDerWaalsContact O-N 3.15Å; P1053-G1056 PolarHBondContact O-N 2.91Å; P1053-F1067 HydrophobicContact CB-CE2 4.1Å; P1053-F1067 HydrophobicContact CB-CZ 3.97Å | ||
| 1054 | P | 62.6 | Low | 55.9 | Low | 10 Ų | 10 | 80.4 Ų | 80.4 | 7% | 0.065 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 116.4 | -179 | -27 | 37.6 | 0 | 0 | 0 | 113.2 | F1067 A1070 C1076 N1084 | P1054-F1067 HydrophobicContact CG-CB 4.02Å; P1054-F1067 HydrophobicContact CG-CG 4.11Å; P1054-A1070 HydrophobicContact CG-CB 4.17Å; P1054-C1076 CarbonylContact C-O 3.54Å; P1054-C1076 WeakPolarHBondContact CA-O 3.06Å; P1054-N1084 PolarHBondContact O-ND2 2.03Å |
| 1055 | G | 67.5 | Low | 57.8 | Low | 47 Ų | 47 | 75.7 Ų | 75.7 | 49% | 0.485 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.1 | -11.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1053 N1075 C1076 | P1053-G1055 PolarHBondContact O-N 2.91Å; P1053-G1055 VanDerWaalsContact O-N 3.15Å; G1055-N1075 VanDerWaalsContact C-ND2 3.33Å; G1055-N1075 WeakPolarHBondContact CA-OD1 3.4Å; G1055-N1075 PolarHBondContact N-OD1 3.28Å; G1055-N1075 PolarHBondContact O-ND2 2.95Å; G1055-N1075 PolarHBondContact O-OD1 2.89Å; G1055-C1076 PolarHBondContact N-O 3.36Å |
| 1056 | G | 73.4 | Confident | 59.7 | Low | 22 Ų | 22 | 73.2 Ų | 73.2 | 23% | 0.227 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -86.5 | 156.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1052 P1053 N1075 C1076 | V1052-G1056 VanDerWaalsContact CG1-C 3.47Å; P1053-G1056 PolarHBondContact O-N 2.91Å; G1056-N1075 CarbonylContact O-C 3.5Å; G1056-N1075 VanDerWaalsContact O-CA 3.22Å; G1056-N1075 WeakPolarHBondContact O-CA 3.4Å; G1056-N1075 VanDerWaalsContact O-CG 3.25Å; G1056-N1075 PolarHBondContact O-OD1 3.37Å; G1056-C1076 PolarHBondContact O-N 2.97Å |
| 1057 | I | 70.7 | Confident | 61.2 | Low | 101 Ų | 101 | 70.2 Ų | 70.2 | 52% | 0.518 | 44% | 0.438 | S | S | . | . | B | Isolated β-bridge | trans | -73.1 | 129.2 | 178.6 | -59.3 | 175.2 | 0 | 0 | 0 | 110.1 | V1052 E1845 | V1052-I1057 WeakPolarHBondContact CG1-O 3.35Å; I1057-E1845 HydrophobicContact CD1-CB 4.27Å; I1057-E1845 HydrophobicContact CD1-CG 4.2Å |
| 1058 | C | 77.9 | Confident | 63.1 | Low | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.034 | 43% | 0.428 | C | S | . | . | trans | -127.2 | 157.6 | 177.7 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | D1063 C1072 S1074 N1075 C1076 | C1058-D1063 HydrophobicContact CB-CB 3.8Å; C1058-C1072 HydrophobicContact CB-CB 3.96Å; C1058-C1072 WeakPolarHBondContact CB-SG 3.42Å; C1058-C1072 WeakPolarHBondContact SG-CA 3.46Å; C1058-C1072 WeakPolarHBondContact SG-CB 3.28Å; C1058-C1072 CovalentContact SG-SG 2.03Å; C1058-C1072 PolarHBondContact SG-SG 2.87Å; C1058-S1074 PolarHBondContact N-O 2.88Å; C1058-S1074 CarbonylContact O-C 3.39Å; C1058-S1074 WeakPolarHBondContact O-CA 3.35Å; C1058-S1074 VanDerWaalsContact SG-C 3.55Å; C1058-N1075 VanDerWaalsContact SG-CA 3.5Å; C1058-N1075 PolarHBondContact SG-N 3.39Å; C1058-C1076 PolarHBondContact SG-N 3.18Å | ||
| 1059 | S | 74.7 | Confident | 65.2 | Low | 95 Ų | 95 | 64.6 Ų | 64.6 | 66% | 0.664 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -101.9 | -36.2 | 175.4 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | D1063 | S1059-D1063 WeakPolarHBondContact CA-OD2 3.19Å; S1059-D1063 VanDerWaalsContact CB-OD2 3.32Å; S1059-D1063 WeakPolarHBondContact CB-OD2 3.46Å; S1059-D1063 PolarHBondContact N-OD2 2.96Å |
| 1060 | N | 72.4 | Confident | 67.3 | Low | 66 Ų | 66 | 60 Ų | 60 | 35% | 0.353 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -140.8 | 174.1 | 176.5 | 70 | 7.6 | 0 | 0 | 0 | 111.5 | E1062 D1063 C1072 | N1060-E1062 PolarHBondContact ND2-OE2 2.83Å; N1060-E1062 PolarHBondContact O-N 2.87Å; N1060-E1062 WeakPolarHBondContact OD1-CB 3.09Å; N1060-E1062 PolarHBondContact OD1-N 2.83Å; N1060-E1062 VanDerWaalsContact OD1-N 3.12Å; N1060-D1063 PolarHBondContact N-OD2 2.85Å; N1060-D1063 PolarHBondContact O-N 2.78Å; N1060-D1063 VanDerWaalsContact OD1-CG 3.29Å; N1060-D1063 PolarHBondContact OD1-N 3.44Å; N1060-D1063 PolarHBondContact OD1-OD2 3.08Å; N1060-C1072 WeakPolarHBondContact O-CB 3.18Å; N1060-C1072 PolarHBondContact O-SG 2.74Å |
| 1061 | D | 74.6 | Confident | 69.1 | Low | 99 Ų | 99 | 60.2 Ų | 60.2 | 53% | 0.529 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -63.9 | -28.1 | 177 | -78.4 | -2.5 | 0 | 0 | 0 | 112.8 | D1063 C1064 C1072 | D1061-D1063 VanDerWaalsContact C-N 3.31Å; D1061-D1063 PolarHBondContact O-N 2.87Å; D1061-C1064 WeakPolarHBondContact O-CB 3.36Å; D1061-C1064 PolarHBondContact O-N 3.05Å; D1061-C1064 VanDerWaalsContact O-N 3.08Å; D1061-C1072 WeakPolarHBondContact OD1-CA 3.48Å; D1061-C1072 WeakPolarHBondContact OD1-CB 3.14Å; D1061-C1072 PolarHBondContact OD1-N 2.98Å |
| 1062 | E | 72.5 | Confident | 70.2 | Confident | 145 Ų | 145 | 56.1 Ų | 56.1 | 68% | 0.678 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -66.2 | -32.7 | -179.8 | -60.1 | -177.7 | 142 | 0 | 0 | 112.2 | N1060 C1064 S1065 | N1060-E1062 PolarHBondContact ND2-OE2 2.83Å; N1060-E1062 PolarHBondContact O-N 2.87Å; N1060-E1062 WeakPolarHBondContact OD1-CB 3.09Å; N1060-E1062 PolarHBondContact OD1-N 2.83Å; N1060-E1062 VanDerWaalsContact OD1-N 3.12Å; E1062-C1064 PolarHBondContact O-N 3.23Å; E1062-S1065 WeakPolarHBondContact CA-OG 3.11Å; E1062-S1065 WeakPolarHBondContact O-CB 3.43Å; E1062-S1065 PolarHBondContact O-N 2.74Å; E1062-S1065 PolarHBondContact O-OG 3.22Å |
| 1063 | D | 70.6 | Confident | 70.5 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 23% | 0.225 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -58 | -30.1 | 172.7 | -66.2 | -44.4 | 0 | 0 | 0 | 111.8 | V1052 C1058 S1059 N1060 D1061 S1065 | V1052-D1063 HydrophobicContact CB-CB 4.48Å; V1052-D1063 WeakPolarHBondContact CB-O 3.43Å; V1052-D1063 HydrophobicContact CG2-CB 4.03Å; V1052-D1063 PolarHBondContact N-O 3.39Å; C1058-D1063 HydrophobicContact CB-CB 3.8Å; S1059-D1063 WeakPolarHBondContact CA-OD2 3.19Å; S1059-D1063 VanDerWaalsContact CB-OD2 3.32Å; S1059-D1063 WeakPolarHBondContact CB-OD2 3.46Å; S1059-D1063 PolarHBondContact N-OD2 2.96Å; N1060-D1063 PolarHBondContact N-OD2 2.85Å; N1060-D1063 PolarHBondContact O-N 2.78Å; N1060-D1063 VanDerWaalsContact OD1-CG 3.29Å; N1060-D1063 PolarHBondContact OD1-N 3.44Å; N1060-D1063 PolarHBondContact OD1-OD2 3.08Å; D1061-D1063 VanDerWaalsContact C-N 3.31Å; D1061-D1063 PolarHBondContact O-N 2.87Å; D1063-S1065 VanDerWaalsContact C-N 3.31Å |
| 1064 | C | 73.1 | Confident | 70.4 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -85.4 | 1.7 | 177.2 | -51.6 | 0 | 0 | 0 | 0 | 113.5 | D1061 E1062 G1066 F1067 A1070 C1076 | D1061-C1064 WeakPolarHBondContact O-CB 3.36Å; D1061-C1064 PolarHBondContact O-N 3.05Å; D1061-C1064 VanDerWaalsContact O-N 3.08Å; E1062-C1064 PolarHBondContact O-N 3.23Å; C1064-G1066 PolarHBondContact O-N 3.04Å; C1064-F1067 PolarHBondContact O-N 2.04Å; C1064-A1070 HydrophobicContact CB-CB 4.23Å; C1064-C1076 VanDerWaalsContact CA-SG 3.55Å; C1064-C1076 HydrophobicContact CB-CB 3.99Å; C1064-C1076 WeakPolarHBondContact CB-SG 3.04Å; C1064-C1076 VanDerWaalsContact SG-CA 3.5Å; C1064-C1076 WeakPolarHBondContact SG-CB 3.31Å; C1064-C1076 CovalentContact SG-SG 2.04Å; C1064-C1076 PolarHBondContact SG-SG 2.04Å |
| 1065 | S | 61.8 | Low | 70.7 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 127.8 | -176.8 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | I1051 E1062 D1063 | I1051-S1065 WeakPolarHBondContact CD1-O 3.47Å; I1051-S1065 VanDerWaalsContact CG1-O 3.31Å; I1051-S1065 WeakPolarHBondContact CG1-O 3.31Å; I1051-S1065 WeakPolarHBondContact CG2-O 3.5Å; E1062-S1065 WeakPolarHBondContact CA-OG 3.11Å; E1062-S1065 WeakPolarHBondContact O-CB 3.43Å; E1062-S1065 PolarHBondContact O-N 2.74Å; E1062-S1065 PolarHBondContact O-OG 3.22Å; D1063-S1065 VanDerWaalsContact C-N 3.31Å |
| 1066 | G | 65.2 | Low | 71.1 | Confident | 64 Ų | 64 | 60.9 Ų | 60.9 | 66% | 0.66 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.3 | -14.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1064 P1068 | C1064-G1066 PolarHBondContact O-N 3.04Å; G1066-P1068 WeakPolarHBondContact O-CD 3.49Å |
| 1067 | F | 63.4 | Low | 71.2 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 19% | 0.189 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -112.1 | 99.8 | 171.8 | -51.6 | -68.8 | 0 | 0 | 0 | 109.7 | I1051 V1052 P1053 P1054 C1064 A1070 S1087 | I1051-F1067 HydrophobicContact CG2-CD2 4.23Å; I1051-F1067 HydrophobicContact CG2-CE2 3.37Å; I1051-F1067 HydrophobicContact CG2-CZ 3.92Å; V1052-F1067 WeakPolarHBondContact O-CD2 3.5Å; V1052-F1067 VanDerWaalsContact O-CE2 3.22Å; V1052-F1067 WeakPolarHBondContact O-CE2 3.03Å; P1053-F1067 HydrophobicContact CB-CE2 4.1Å; P1053-F1067 HydrophobicContact CB-CZ 3.97Å; P1054-F1067 HydrophobicContact CG-CB 4.02Å; P1054-F1067 HydrophobicContact CG-CG 4.11Å; C1064-F1067 PolarHBondContact O-N 2.04Å; F1067-A1070 HydrophobicContact CB-CB 3.74Å; F1067-A1070 VanDerWaalsContact O-CB 3.26Å; F1067-A1070 WeakPolarHBondContact O-CB 3.43Å; F1067-A1070 PolarHBondContact O-N 3.43Å; F1067-S1087 WeakPolarHBondContact CD1-O 3.04Å; F1067-S1087 WeakPolarHBondContact CE1-O 3.35Å |
| 1068 | P | 61.2 | Low | 71.5 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 144.4 | 173.1 | -27.2 | 35.9 | 0 | 0 | 0 | 110.9 | G1066 A1070 C1089 | G1066-P1068 WeakPolarHBondContact O-CD 3.49Å; P1068-A1070 PolarHBondContact O-N 3.33Å; P1068-A1070 VanDerWaalsContact O-N 3.09Å; P1068-C1089 WeakPolarHBondContact O-CB 3.02Å |
| 1069 | Y | 69.8 | Low | 71.1 | Confident | 100 Ų | 100 | 66 Ų | 66 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 1.3 | -175.7 | -41.2 | -90.9 | 0 | 0 | 0 | 116.1 | C1078 K1079 A1082 E1091 | Y1069-C1078 CarbonylContact O-C 3.58Å; Y1069-C1078 WeakPolarHBondContact O-CA 3.11Å; Y1069-K1079 PolarHBondContact O-N 2.8Å; Y1069-A1082 HydrophobicContact CG-CB 4.3Å; Y1069-E1091 HydrophobicContact CD1-CG 4.04Å; Y1069-E1091 HydrophobicContact CE1-CG 3.55Å; Y1069-E1091 WeakPolarHBondContact CE1-OE2 3.2Å; Y1069-E1091 HydrophobicContact CE2-CG 4.14Å; Y1069-E1091 HydrophobicContact CG-CG 4.5Å; Y1069-E1091 PolarHBondContact OH-OE2 3.19Å |
| 1070 | A | 73.6 | Confident | 70.2 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 19% | 0.19 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 148 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1054 C1064 F1067 P1068 M1077 | P1054-A1070 HydrophobicContact CG-CB 4.17Å; C1064-A1070 HydrophobicContact CB-CB 4.23Å; F1067-A1070 HydrophobicContact CB-CB 3.74Å; F1067-A1070 VanDerWaalsContact O-CB 3.26Å; F1067-A1070 WeakPolarHBondContact O-CB 3.43Å; F1067-A1070 PolarHBondContact O-N 3.43Å; P1068-A1070 PolarHBondContact O-N 3.33Å; P1068-A1070 VanDerWaalsContact O-N 3.09Å; A1070-M1077 CarbonylContact C-O 3.53Å; A1070-M1077 VanDerWaalsContact CA-O 3.24Å; A1070-M1077 WeakPolarHBondContact CA-O 3.45Å |
| 1071 | Y | 81.4 | Confident | 69.1 | Low | 65 Ų | 65 | 73.4 Ų | 73.4 | 26% | 0.255 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 160 | 174.4 | 72.9 | -73.9 | 0 | 0 | 0 | 110.2 | M1073 C1076 M1077 K1079 | Y1071-M1073 HydrophobicContact CD2-CG 4.09Å; Y1071-M1073 HydrophobicContact CE2-CG 3.51Å; Y1071-M1073 HydrophobicContact CE2-SD 3.69Å; Y1071-C1076 CarbonylContact O-C 3.58Å; Y1071-C1076 WeakPolarHBondContact O-CA 3.26Å; Y1071-M1077 HydrophobicContact CD1-CB 4.35Å; Y1071-M1077 WeakPolarHBondContact CD1-O 3.44Å; Y1071-M1077 HydrophobicContact CE1-CB 3.84Å; Y1071-M1077 PolarHBondContact N-O 2.87Å; Y1071-M1077 PolarHBondContact O-N 3.42Å; Y1071-K1079 HydrophobicContact CD1-CG 4.13Å; Y1071-K1079 HydrophobicContact CE1-CG 4.36Å |
| 1072 | C | 74.9 | Confident | 68.4 | Low | 19 Ų | 19 | 69.5 Ų | 69.5 | 13% | 0.128 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.9 | -170.1 | -174.3 | 0 | 0 | 0 | 0 | 113.9 | C1058 N1060 D1061 | C1058-C1072 HydrophobicContact CB-CB 3.96Å; C1058-C1072 WeakPolarHBondContact CB-SG 3.42Å; C1058-C1072 WeakPolarHBondContact SG-CA 3.46Å; C1058-C1072 WeakPolarHBondContact SG-CB 3.28Å; C1058-C1072 CovalentContact SG-SG 2.03Å; C1058-C1072 PolarHBondContact SG-SG 2.87Å; N1060-C1072 WeakPolarHBondContact O-CB 3.18Å; N1060-C1072 PolarHBondContact O-SG 2.74Å; D1061-C1072 WeakPolarHBondContact OD1-CA 3.48Å; D1061-C1072 WeakPolarHBondContact OD1-CB 3.14Å; D1061-C1072 PolarHBondContact OD1-N 2.98Å |
| 1073 | M | 71.2 | Confident | 67.5 | Low | 116 Ų | 116 | 64.1 Ų | 64.1 | 57% | 0.571 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -118.9 | 51.3 | 164.7 | -65.5 | -163.6 | 76.5 | 0 | 0 | 111.6 | Y1071 N1075 M1077 | Y1071-M1073 HydrophobicContact CD2-CG 4.09Å; Y1071-M1073 HydrophobicContact CE2-CG 3.51Å; Y1071-M1073 HydrophobicContact CE2-SD 3.69Å; M1073-N1075 PolarHBondContact N-O 2.86Å; M1073-N1075 PolarHBondContact O-N 3.27Å; M1073-M1077 HydrophobicContact CB-SD 3.97Å; M1073-M1077 HydrophobicContact CG-SD 4.33Å; M1073-M1077 HydrophobicContact SD-SD 4.26Å |
| 1074 | S | 65.7 | Low | 67 | Low | 71 Ų | 71 | 64.2 Ų | 64.2 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 70.1 | -8.3 | -162.4 | -25 | 0 | 0 | 0 | 0 | 114.3 | C1058 | C1058-S1074 PolarHBondContact N-O 2.88Å; C1058-S1074 CarbonylContact O-C 3.39Å; C1058-S1074 WeakPolarHBondContact O-CA 3.35Å; C1058-S1074 VanDerWaalsContact SG-C 3.55Å |
| 1075 | N | 69.7 | Low | 66.1 | Low | 56 Ų | 56 | 64.2 Ų | 64.2 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -143.7 | 144.4 | 170.4 | -171.2 | -64.3 | 0 | 0 | 0 | 107.6 | G1055 G1056 C1058 M1073 M1077 | G1055-N1075 VanDerWaalsContact C-ND2 3.33Å; G1055-N1075 WeakPolarHBondContact CA-OD1 3.4Å; G1055-N1075 PolarHBondContact N-OD1 3.28Å; G1055-N1075 PolarHBondContact O-ND2 2.95Å; G1055-N1075 PolarHBondContact O-OD1 2.89Å; G1056-N1075 CarbonylContact O-C 3.5Å; G1056-N1075 VanDerWaalsContact O-CA 3.22Å; G1056-N1075 WeakPolarHBondContact O-CA 3.4Å; G1056-N1075 VanDerWaalsContact O-CG 3.25Å; G1056-N1075 PolarHBondContact O-OD1 3.37Å; C1058-N1075 VanDerWaalsContact SG-CA 3.5Å; C1058-N1075 PolarHBondContact SG-N 3.39Å; M1073-N1075 PolarHBondContact N-O 2.86Å; M1073-N1075 PolarHBondContact O-N 3.27Å; N1075-M1077 PolarHBondContact O-N 2.91Å |
| 1076 | C | 76.3 | Confident | 65.6 | Low | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 99.4 | 177.9 | -66.6 | 0 | 0 | 0 | 0 | 110.3 | V1052 P1054 G1055 G1056 C1058 C1064 Y1071 | V1052-C1076 PolarHBondContact O-SG 3.4Å; V1052-C1076 VanDerWaalsContact O-SG 3.39Å; P1054-C1076 CarbonylContact C-O 3.54Å; P1054-C1076 WeakPolarHBondContact CA-O 3.06Å; G1055-C1076 PolarHBondContact N-O 3.36Å; G1056-C1076 PolarHBondContact O-N 2.97Å; C1058-C1076 PolarHBondContact SG-N 3.18Å; C1064-C1076 VanDerWaalsContact CA-SG 3.55Å; C1064-C1076 HydrophobicContact CB-CB 3.99Å; C1064-C1076 WeakPolarHBondContact CB-SG 3.04Å; C1064-C1076 VanDerWaalsContact SG-CA 3.5Å; C1064-C1076 WeakPolarHBondContact SG-CB 3.31Å; C1064-C1076 CovalentContact SG-SG 2.04Å; C1064-C1076 PolarHBondContact SG-SG 2.04Å; Y1071-C1076 CarbonylContact O-C 3.58Å; Y1071-C1076 WeakPolarHBondContact O-CA 3.26Å |
| 1077 | M | 74.3 | Confident | 65 | Low | 85 Ų | 85 | 63.7 Ų | 63.7 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 149.7 | 178.7 | -71.9 | -176.8 | 54.8 | 0 | 0 | 111.1 | A1070 Y1071 M1073 N1075 | A1070-M1077 CarbonylContact C-O 3.53Å; A1070-M1077 VanDerWaalsContact CA-O 3.24Å; A1070-M1077 WeakPolarHBondContact CA-O 3.45Å; Y1071-M1077 HydrophobicContact CD1-CB 4.35Å; Y1071-M1077 WeakPolarHBondContact CD1-O 3.44Å; Y1071-M1077 HydrophobicContact CE1-CB 3.84Å; Y1071-M1077 PolarHBondContact N-O 2.87Å; Y1071-M1077 PolarHBondContact O-N 3.42Å; M1073-M1077 HydrophobicContact CB-SD 3.97Å; M1073-M1077 HydrophobicContact CG-SD 4.33Å; M1073-M1077 HydrophobicContact SD-SD 4.26Å; N1075-M1077 PolarHBondContact O-N 2.91Å |
| 1078 | C | 77 | Confident | 65 | Low | 24 Ų | 24 | 63.1 Ų | 63.1 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 141.4 | 167.6 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | Y1069 A1082 N1084 C1089 | Y1069-C1078 CarbonylContact O-C 3.58Å; Y1069-C1078 WeakPolarHBondContact O-CA 3.11Å; C1078-A1082 HydrophobicContact CB-CB 4.18Å; C1078-N1084 VanDerWaalsContact SG-CA 3.52Å; C1078-N1084 VanDerWaalsContact SG-CB 3.59Å; C1078-C1089 WeakPolarHBondContact CA-SG 3.16Å; C1078-C1089 HydrophobicContact CB-CB 3.7Å; C1078-C1089 WeakPolarHBondContact CB-SG 3.45Å; C1078-C1089 WeakPolarHBondContact SG-CB 3.46Å; C1078-C1089 CovalentContact SG-SG 2.03Å; C1078-C1089 PolarHBondContact SG-SG 3.13Å |
| 1079 | K | 69.5 | Low | 65 | Low | 127 Ų | 127 | 59.4 Ų | 59.4 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 156.3 | 166.7 | -87.8 | -173.3 | 172.6 | 179.6 | 0 | 111.3 | Y1069 Y1071 A1082 | Y1069-K1079 PolarHBondContact O-N 2.8Å; Y1071-K1079 HydrophobicContact CD1-CG 4.13Å; Y1071-K1079 HydrophobicContact CE1-CG 4.36Å; K1079-A1082 WeakPolarHBondContact O-CB 3.22Å; K1079-A1082 PolarHBondContact O-N 2.85Å; K1079-A1082 VanDerWaalsContact O-N 3.08Å |
| 1080 | D | 55.6 | Low | 64.2 | Low | 129 Ų | 129 | 56.9 Ų | 56.9 | 69% | 0.69 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 146.3 | 165.1 | -63.6 | -63.6 | 0 | 0 | 0 | 110.9 | A1082 | D1080-A1082 PolarHBondContact O-N 3.37Å; D1080-A1082 VanDerWaalsContact O-N 3.17Å |
| 1081 | Y | 51 | Low | 63.2 | Low | 187 Ų | 187 | 60.9 Ų | 60.9 | 73% | 0.733 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -8.1 | -173.4 | -29.6 | -64.6 | 0 | 0 | 0 | 116.4 | A1092 | Y1081-A1092 PolarHBondContact O-N 3.23Š|
| 1082 | A | 58.7 | Low | 61.6 | Low | 17 Ų | 17 | 60.4 Ų | 60.4 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 140.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1069 C1078 K1079 D1080 C1089 L1090 | Y1069-A1082 HydrophobicContact CG-CB 4.3Å; C1078-A1082 HydrophobicContact CB-CB 4.18Å; K1079-A1082 WeakPolarHBondContact O-CB 3.22Å; K1079-A1082 PolarHBondContact O-N 2.85Å; K1079-A1082 VanDerWaalsContact O-N 3.08Å; D1080-A1082 PolarHBondContact O-N 3.37Å; D1080-A1082 VanDerWaalsContact O-N 3.17Å; A1082-C1089 HydrophobicContact CB-CB 4.25Å; A1082-L1090 CarbonylContact C-O 3.39Å; A1082-L1090 WeakPolarHBondContact CA-O 3.43Å |
| 1083 | I | 54.6 | Low | 60.2 | Low | 32 Ų | 32 | 62.2 Ų | 62.2 | 16% | 0.164 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.2 | -176.1 | -57.2 | 170.4 | 0 | 0 | 0 | 109.3 | A1085 C1089 L1090 A1092 I1112 M1114 | I1083-A1085 PolarHBondContact O-N 3.13Å; I1083-C1089 WeakPolarHBondContact O-CA 3.24Å; I1083-L1090 PolarHBondContact N-O 2.88Å; I1083-L1090 PolarHBondContact O-N 3.29Å; I1083-A1092 HydrophobicContact CD1-CB 4.02Å; I1083-I1112 HydrophobicContact CB-CD1 4.38Å; I1083-I1112 HydrophobicContact CD1-CD1 3.83Å; I1083-I1112 HydrophobicContact CG2-CD1 4.22Å; I1083-M1114 HydrophobicContact CG2-CE 3.68Å |
| 1084 | N | 60.1 | Low | 58.9 | Low | 44 Ų | 44 | 62.5 Ų | 62.5 | 24% | 0.235 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 112.5 | 173.9 | -175.2 | -24.1 | 0 | 0 | 0 | 109.9 | P1054 C1078 G1086 Q1124 | P1054-N1084 PolarHBondContact O-ND2 2.03Å; C1078-N1084 VanDerWaalsContact SG-CA 3.52Å; C1078-N1084 VanDerWaalsContact SG-CB 3.59Å; N1084-G1086 VanDerWaalsContact C-N 3.32Å; N1084-G1086 WeakPolarHBondContact OD1-CA 3.27Å; N1084-G1086 PolarHBondContact OD1-N 3.04Å; N1084-Q1124 PolarHBondContact O-NE2 2.95Å |
| 1085 | A | 53.5 | Low | 58.1 | Low | 4 Ų | 4 | 61.7 Ų | 61.7 | 3% | 0.033 | 36% | 0.359 | C | S | . | . | trans | -90.3 | 13.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | I1083 S1087 T1088 L1090 | I1083-A1085 PolarHBondContact O-N 3.13Å; A1085-S1087 PolarHBondContact O-N 2.82Å; A1085-T1088 HydrophobicContact CB-CG2 4.34Å; A1085-T1088 PolarHBondContact N-O 2.78Å; A1085-L1090 HydrophobicContact CB-CD1 3.78Å; A1085-L1090 HydrophobicContact CB-CG 4.08Å | ||
| 1086 | G | 51 | Low | 57.4 | Low | 60 Ų | 60 | 62 Ų | 62 | 62% | 0.619 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 82.1 | -12.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1084 | N1084-G1086 VanDerWaalsContact C-N 3.32Å; N1084-G1086 WeakPolarHBondContact OD1-CA 3.27Å; N1084-G1086 PolarHBondContact OD1-N 3.04Å |
| 1087 | S | 53.6 | Low | 56.3 | Low | 54 Ų | 54 | 68.5 Ų | 68.5 | 38% | 0.378 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -148.1 | 7.4 | 173.5 | 74.4 | 0 | 0 | 0 | 0 | 114.3 | F1067 A1085 N1115 | F1067-S1087 WeakPolarHBondContact CD1-O 3.04Å; F1067-S1087 WeakPolarHBondContact CE1-O 3.35Å; A1085-S1087 PolarHBondContact O-N 2.82Å; S1087-N1115 PolarHBondContact OG-ND2 2.98Å |
| 1088 | T | 61.4 | Low | 55.6 | Low | 32 Ų | 32 | 68 Ų | 68 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -172 | 170.1 | 174.3 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | A1085 L1090 | A1085-T1088 HydrophobicContact CB-CG2 4.34Å; A1085-T1088 PolarHBondContact N-O 2.78Å; T1088-L1090 HydrophobicContact CG2-CD2 3.77Å; T1088-L1090 HydrophobicContact CG2-CG 4.01Å |
| 1089 | C | 61.8 | Low | 55.2 | Low | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.014 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.3 | 170.6 | -60.7 | 0 | 0 | 0 | 0 | 109.8 | P1068 C1078 A1082 I1083 | P1068-C1089 WeakPolarHBondContact O-CB 3.02Å; C1078-C1089 WeakPolarHBondContact CA-SG 3.16Å; C1078-C1089 HydrophobicContact CB-CB 3.7Å; C1078-C1089 WeakPolarHBondContact CB-SG 3.45Å; C1078-C1089 WeakPolarHBondContact SG-CB 3.46Å; C1078-C1089 CovalentContact SG-SG 2.03Å; C1078-C1089 PolarHBondContact SG-SG 3.13Å; A1082-C1089 HydrophobicContact CB-CB 4.25Å; I1083-C1089 WeakPolarHBondContact O-CA 3.24Å |
| 1090 | L | 54.1 | Low | 55 | Low | 47 Ų | 47 | 68.7 Ų | 68.7 | 25% | 0.246 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.1 | -177.2 | -62.1 | 178.5 | 0 | 0 | 0 | 111.3 | A1082 I1083 A1085 T1088 M1095 | A1082-L1090 CarbonylContact C-O 3.39Å; A1082-L1090 WeakPolarHBondContact CA-O 3.43Å; I1083-L1090 PolarHBondContact N-O 2.88Å; I1083-L1090 PolarHBondContact O-N 3.29Å; A1085-L1090 HydrophobicContact CB-CD1 3.78Å; A1085-L1090 HydrophobicContact CB-CG 4.08Å; T1088-L1090 HydrophobicContact CG2-CD2 3.77Å; T1088-L1090 HydrophobicContact CG2-CG 4.01Å; L1090-M1095 HydrophobicContact CD1-CE 4.21Å |
| 1091 | E | 51.2 | Low | 56 | Low | 107 Ų | 107 | 64.1 Ų | 64.1 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 143.6 | 171.8 | -79.3 | -170.7 | 117.2 | 0 | 0 | 112.4 | Y1069 G1093 | Y1069-E1091 HydrophobicContact CD1-CG 4.04Å; Y1069-E1091 HydrophobicContact CE1-CG 3.55Å; Y1069-E1091 WeakPolarHBondContact CE1-OE2 3.2Å; Y1069-E1091 HydrophobicContact CE2-CG 4.14Å; Y1069-E1091 HydrophobicContact CG-CG 4.5Å; Y1069-E1091 PolarHBondContact OH-OE2 3.19Å; E1091-G1093 VanDerWaalsContact C-N 3.34Å; E1091-G1093 PolarHBondContact O-N 2.85Å |
| 1092 | A | 47.6 | Very low | 56.7 | Low | 55 Ų | 55 | 59.9 Ų | 59.9 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -79.6 | 69.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1081 I1083 | Y1081-A1092 PolarHBondContact O-N 3.23Å; I1083-A1092 HydrophobicContact CD1-CB 4.02Å |
| 1093 | G | 47.3 | Very low | 57.2 | Low | 57 Ų | 57 | 65.1 Ų | 65.1 | 59% | 0.588 | 43% | 0.429 | S | S | * | . | trans | 159.7 | 105.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | E1091 | E1091-G1093 VanDerWaalsContact C-N 3.34Å; E1091-G1093 PolarHBondContact O-N 2.85Å | ||
| 1094 | S | 43.7 | Very low | 58.4 | Low | 122 Ų | 122 | 66.7 Ų | 66.7 | 85% | 0.853 | 44% | 0.436 | S | S | * | . | trans | 177 | 11.1 | 153.3 | 44.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1095 | M | 47.9 | Very low | 59.4 | Low | 54 Ų | 54 | 66.3 Ų | 66.3 | 27% | 0.266 | 44% | 0.435 | S | S | . | . | trans | -103.9 | 122.2 | -177.2 | -72.4 | -170.9 | -91.8 | 0 | 0 | 113.1 | L1090 Y1106 I1112 C1113 | L1090-M1095 HydrophobicContact CD1-CE 4.21Å; M1095-Y1106 WeakPolarHBondContact O-CE2 3.46Å; M1095-Y1106 PolarHBondContact O-OH 2.9Å; M1095-I1112 HydrophobicContact CE-CB 4.05Å; M1095-I1112 HydrophobicContact CE-CG2 4.28Å; M1095-C1113 HydrophobicContact CE-CB 4.25Å; M1095-C1113 HydrophobicContact SD-CB 3.56Å; M1095-C1113 VanDerWaalsContact SD-CB 3.56Å; M1095-C1113 VanDerWaalsContact SD-SG 3.66Å | ||
| 1096 | A | 54.4 | Low | 60.8 | Low | 64 Ų | 64 | 67.4 Ų | 67.4 | 53% | 0.529 | 44% | 0.439 | S | S | . | . | trans | -87.5 | 150.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1098 N1099 | A1096-G1098 PolarHBondContact O-N 3.08Å; A1096-G1098 VanDerWaalsContact O-N 3.08Å; A1096-N1099 PolarHBondContact O-N 2.69Å; A1096-N1099 VanDerWaalsContact O-N 3.1Å | ||
| 1097 | E | 53.2 | Low | 62.3 | Low | 135 Ų | 135 | 64.6 Ų | 64.6 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 107.8 | 177.8 | -166.6 | 151.6 | -135.2 | 0 | 0 | 110.3 | Y1106 | E1097-Y1106 HydrophobicContact CB-CD1 3.79Å; E1097-Y1106 HydrophobicContact CB-CE1 3.62Å; E1097-Y1106 HydrophobicContact CB-CG 4.41Å; E1097-Y1106 HydrophobicContact CG-CD1 3.57Å; E1097-Y1106 HydrophobicContact CG-CE1 3.83Å; E1097-Y1106 HydrophobicContact CG-CG 4.31Å; E1097-Y1106 WeakPolarHBondContact OE1-CD1 3.46Å |
| 1098 | G | 61.4 | Low | 63.3 | Low | 74 Ų | 74 | 64.4 Ų | 64.4 | 76% | 0.763 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.1 | -14.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A1096 | A1096-G1098 PolarHBondContact O-N 3.08Å; A1096-G1098 VanDerWaalsContact O-N 3.08Å |
| 1099 | N | 67.7 | Low | 64.2 | Low | 135 Ų | 135 | 64.5 Ų | 64.5 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | trans | -98.2 | 25 | -174.2 | -150.2 | 25.2 | 0 | 0 | 0 | 114.6 | A1096 | A1096-N1099 PolarHBondContact O-N 2.69Å; A1096-N1099 VanDerWaalsContact O-N 3.1Å | ||
| 1100 | C | 64.8 | Low | 64.8 | Low | 31 Ų | 31 | 64.8 Ų | 64.8 | 21% | 0.209 | 41% | 0.409 | C | S | . | . | trans | -80.7 | 154.1 | -177.6 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | Q1104 C1113 | C1100-Q1104 HydrophobicContact CB-CB 3.92Å; C1100-C1113 WeakPolarHBondContact CA-SG 3Å; C1100-C1113 HydrophobicContact CB-CB 3.69Å; C1100-C1113 WeakPolarHBondContact CB-SG 3.47Å; C1100-C1113 WeakPolarHBondContact SG-CB 3.39Å; C1100-C1113 CovalentContact SG-SG 2.04Å; C1100-C1113 PolarHBondContact SG-SG 2.98Å | ||
| 1101 | G | 76.2 | Confident | 65.8 | Low | 33 Ų | 33 | 63 Ų | 63 | 34% | 0.34 | 40% | 0.402 | S | S | . | . | trans | -66.2 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q1104 | G1101-Q1104 VanDerWaalsContact N-OE1 3.14Å; G1101-Q1104 PolarHBondContact O-N 2.97Å | ||
| 1102 | V | 66.2 | Low | 67.2 | Low | 99 Ų | 99 | 58 Ų | 58 | 60% | 0.6 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 141.7 | 159.7 | -176 | 0 | 0 | 0 | 0 | 108.1 | Q1104 | V1102-Q1104 PolarHBondContact O-N 2.71Å; V1102-Q1104 VanDerWaalsContact O-N 3.16Å |
| 1103 | D | 69.5 | Low | 68.6 | Low | 126 Ų | 126 | 55.4 Ų | 55.4 | 67% | 0.674 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 29 | -178.1 | -55.3 | -23.6 | 0 | 0 | 0 | 114.6 | V1116 | D1103-V1116 WeakPolarHBondContact O-CB 3.48Å; D1103-V1116 WeakPolarHBondContact O-CG2 3.35Å; D1103-V1116 PolarHBondContact O-N 3.02Å |
| 1104 | Q | 79.5 | Confident | 70.1 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 30% | 0.304 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 153.1 | 168.9 | -68.6 | -169.4 | -25.3 | 0 | 0 | 112.2 | C1100 G1101 V1102 C1113 M1114 N1115 | C1100-Q1104 HydrophobicContact CB-CB 3.92Å; G1101-Q1104 VanDerWaalsContact N-OE1 3.14Å; G1101-Q1104 PolarHBondContact O-N 2.97Å; V1102-Q1104 PolarHBondContact O-N 2.71Å; V1102-Q1104 VanDerWaalsContact O-N 3.16Å; Q1104-C1113 HydrophobicContact CB-CB 4.49Å; Q1104-M1114 CarbonylContact C-O 3.55Å; Q1104-M1114 VanDerWaalsContact CA-O 3.27Å; Q1104-M1114 WeakPolarHBondContact CA-O 3.45Å; Q1104-N1115 WeakPolarHBondContact CG-OD1 3.41Å; Q1104-N1115 PolarHBondContact NE2-OD1 3.49Å |
| 1105 | V | 80.6 | Confident | 71.9 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 22% | 0.218 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.4 | 179.5 | 66 | 0 | 0 | 0 | 0 | 110.3 | C1113 M1114 V1116 Q1127 Q1128 | V1105-C1113 WeakPolarHBondContact O-CA 3.38Å; V1105-M1114 PolarHBondContact N-O 3.33Å; V1105-M1114 PolarHBondContact O-N 2.91Å; V1105-V1116 HydrophobicContact CB-CG2 4.15Å; V1105-V1116 HydrophobicContact CG1-CG2 4.22Å; V1105-Q1127 HydrophobicContact CG1-CB 4.05Å; V1105-Q1127 HydrophobicContact CG2-CB 4.03Å; V1105-Q1128 HydrophobicContact CG1-CG 4.45Å |
| 1106 | Y | 84.2 | Confident | 73.5 | Confident | 28 Ų | 28 | 48.6 Ų | 48.6 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131.9 | 177.1 | -165.7 | -116.3 | 0 | 0 | 0 | 111 | M1095 E1097 | M1095-Y1106 WeakPolarHBondContact O-CE2 3.46Å; M1095-Y1106 PolarHBondContact O-OH 2.9Å; E1097-Y1106 HydrophobicContact CB-CD1 3.79Å; E1097-Y1106 HydrophobicContact CB-CE1 3.62Å; E1097-Y1106 HydrophobicContact CB-CG 4.41Å; E1097-Y1106 HydrophobicContact CG-CD1 3.57Å; E1097-Y1106 HydrophobicContact CG-CE1 3.83Å; E1097-Y1106 HydrophobicContact CG-CG 4.31Å; E1097-Y1106 WeakPolarHBondContact OE1-CD1 3.46Å |
| 1107 | V | 81.1 | Confident | 75 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 101.6 | 172.7 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | E1109 A1110 G1111 I1112 M1114 Y1125 Q1127 | V1107-E1109 VanDerWaalsContact C-N 3.27Å; V1107-E1109 HydrophobicContact CG1-CB 4.28Å; V1107-E1109 PolarHBondContact O-N 2.84Å; V1107-A1110 HydrophobicContact CB-CB 4.31Å; V1107-A1110 HydrophobicContact CG1-CB 3.95Å; V1107-A1110 PolarHBondContact O-N 3.3Å; V1107-G1111 WeakPolarHBondContact O-CA 3.02Å; V1107-G1111 PolarHBondContact O-N 2.84Å; V1107-I1112 PolarHBondContact N-O 3.13Å; V1107-I1112 PolarHBondContact O-N 3.19Å; V1107-M1114 HydrophobicContact CG2-CB 4.2Å; V1107-M1114 HydrophobicContact CG2-CG 4.11Å; V1107-M1114 HydrophobicContact CG2-SD 3.92Å; V1107-Y1125 HydrophobicContact CB-CG 4.47Å; V1107-Y1125 HydrophobicContact CG1-CD1 3.5Å; V1107-Y1125 HydrophobicContact CG1-CD2 3.81Å; V1107-Y1125 HydrophobicContact CG1-CE1 3.95Å; V1107-Y1125 HydrophobicContact CG1-CE2 4.25Å; V1107-Y1125 HydrophobicContact CG1-CG 3.42Å; V1107-Y1125 VanDerWaalsContact CG1-CG 3.42Å; V1107-Y1125 HydrophobicContact CG2-CD2 4.2Å; V1107-Y1125 HydrophobicContact CG2-CG 4.22Å; V1107-Q1127 HydrophobicContact CG2-CB 4.37Å |
| 1108 | S | 75.7 | Confident | 76.5 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -28.7 | -178.8 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | R1267 | S1108-R1267 PolarHBondContact O-N 3.09Š|
| 1109 | E | 80.8 | Confident | 77.3 | Confident | 34 Ų | 34 | 42.7 Ų | 42.7 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -51.4 | 173.6 | -61.3 | -164.7 | 111.1 | 0 | 0 | 111.3 | V1107 Y1125 S1253 C1265 R1267 S1268 | V1107-E1109 VanDerWaalsContact C-N 3.27Å; V1107-E1109 HydrophobicContact CG1-CB 4.28Å; V1107-E1109 PolarHBondContact O-N 2.84Å; E1109-Y1125 HydrophobicContact CB-CD1 4.43Å; E1109-Y1125 HydrophobicContact CB-CE1 4.19Å; E1109-S1253 WeakPolarHBondContact OE1-CB 3.46Å; E1109-S1253 PolarHBondContact OE1-N 2.82Å; E1109-S1253 PolarHBondContact OE1-OG 3.27Å; E1109-C1265 WeakPolarHBondContact CA-O 3.25Å; E1109-R1267 CarbonylContact O-C 3.49Å; E1109-R1267 WeakPolarHBondContact O-CA 3.28Å; E1109-R1267 PolarHBondContact O-N 3.03Å; E1109-S1268 PolarHBondContact O-N 2.64Å |
| 1110 | A | 74.8 | Confident | 77.9 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -31.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1107 I1112 Y1125 S1268 | V1107-A1110 HydrophobicContact CB-CB 4.31Å; V1107-A1110 HydrophobicContact CG1-CB 3.95Å; V1107-A1110 PolarHBondContact O-N 3.3Å; A1110-I1112 HydrophobicContact CB-CD1 4.43Å; A1110-I1112 HydrophobicContact CB-CG1 3.75Å; A1110-Y1125 HydrophobicContact CB-CE2 4.31Å; A1110-S1268 PolarHBondContact O-OG 3.32Å; A1110-S1268 VanDerWaalsContact O-OG 3.09Å |
| 1111 | G | 74.9 | Confident | 78.8 | Confident | 10 Ų | 10 | 38 Ų | 38 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 20.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1107 | V1107-G1111 WeakPolarHBondContact O-CA 3.02Å; V1107-G1111 PolarHBondContact O-N 2.84Å |
| 1112 | I | 79.6 | Confident | 79.2 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 159.7 | -175.7 | 55.2 | 160.6 | 0 | 0 | 0 | 112.5 | I1083 M1095 V1107 A1110 M1114 | I1083-I1112 HydrophobicContact CB-CD1 4.38Å; I1083-I1112 HydrophobicContact CD1-CD1 3.83Å; I1083-I1112 HydrophobicContact CG2-CD1 4.22Å; M1095-I1112 HydrophobicContact CE-CB 4.05Å; M1095-I1112 HydrophobicContact CE-CG2 4.28Å; V1107-I1112 PolarHBondContact N-O 3.13Å; V1107-I1112 PolarHBondContact O-N 3.19Å; A1110-I1112 HydrophobicContact CB-CD1 4.43Å; A1110-I1112 HydrophobicContact CB-CG1 3.75Å; I1112-M1114 HydrophobicContact CD1-CE 3.99Å; I1112-M1114 HydrophobicContact CD1-CG 3.94Å; I1112-M1114 HydrophobicContact CD1-SD 4.33Å; I1112-M1114 HydrophobicContact CG1-CG 4.28Å |
| 1113 | C | 76.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 141.4 | 165.2 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | M1095 C1100 Q1104 V1105 | M1095-C1113 HydrophobicContact CE-CB 4.25Å; M1095-C1113 HydrophobicContact SD-CB 3.56Å; M1095-C1113 VanDerWaalsContact SD-CB 3.56Å; M1095-C1113 VanDerWaalsContact SD-SG 3.66Å; C1100-C1113 WeakPolarHBondContact CA-SG 3Å; C1100-C1113 HydrophobicContact CB-CB 3.69Å; C1100-C1113 WeakPolarHBondContact CB-SG 3.47Å; C1100-C1113 WeakPolarHBondContact SG-CB 3.39Å; C1100-C1113 CovalentContact SG-SG 2.04Å; C1100-C1113 PolarHBondContact SG-SG 2.98Å; Q1104-C1113 HydrophobicContact CB-CB 4.49Å; V1105-C1113 WeakPolarHBondContact O-CA 3.38Å |
| 1114 | M | 78.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 153 | 175.9 | -70.2 | -174.2 | 126.3 | 0 | 0 | 111.1 | I1083 Q1104 V1105 V1107 I1112 Y1125 Q1128 | I1083-M1114 HydrophobicContact CG2-CE 3.68Å; Q1104-M1114 CarbonylContact C-O 3.55Å; Q1104-M1114 VanDerWaalsContact CA-O 3.27Å; Q1104-M1114 WeakPolarHBondContact CA-O 3.45Å; V1105-M1114 PolarHBondContact N-O 3.33Å; V1105-M1114 PolarHBondContact O-N 2.91Å; V1107-M1114 HydrophobicContact CG2-CB 4.2Å; V1107-M1114 HydrophobicContact CG2-CG 4.11Å; V1107-M1114 HydrophobicContact CG2-SD 3.92Å; I1112-M1114 HydrophobicContact CD1-CE 3.99Å; I1112-M1114 HydrophobicContact CD1-CG 3.94Å; I1112-M1114 HydrophobicContact CD1-SD 4.33Å; I1112-M1114 HydrophobicContact CG1-CG 4.28Å; M1114-Y1125 HydrophobicContact CE-CD2 4.32Å; M1114-Y1125 HydrophobicContact CE-CE2 4.06Å; M1114-Y1125 HydrophobicContact SD-CD2 3.48Å; M1114-Y1125 WeakPolarHBondContact SD-CD2 3.1Å; M1114-Y1125 HydrophobicContact SD-CE2 3.72Å; M1114-Q1128 HydrophobicContact CB-CG 4.07Å |
| 1115 | N | 82.6 | Confident | 81.3 | Confident | 49 Ų | 49 | 30.1 Ų | 30.1 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 139.1 | 178.5 | -63.7 | -13.3 | 0 | 0 | 0 | 111.3 | S1087 Q1104 Q1128 | S1087-N1115 PolarHBondContact OG-ND2 2.98Å; Q1104-N1115 WeakPolarHBondContact CG-OD1 3.41Å; Q1104-N1115 PolarHBondContact NE2-OD1 3.49Å; N1115-Q1128 PolarHBondContact O-NE2 3.21Å |
| 1116 | V | 81.8 | Confident | 81.5 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 24% | 0.242 | 18% | 0.183 | C | C | . | . | trans | -69.4 | 128.3 | 176.2 | 167.1 | 0 | 0 | 0 | 0 | 109.8 | D1103 V1105 G1131 T1132 | D1103-V1116 WeakPolarHBondContact O-CB 3.48Å; D1103-V1116 WeakPolarHBondContact O-CG2 3.35Å; D1103-V1116 PolarHBondContact O-N 3.02Å; V1105-V1116 HydrophobicContact CB-CG2 4.15Å; V1105-V1116 HydrophobicContact CG1-CG2 4.22Å; V1116-G1131 VanDerWaalsContact CG1-C 3.4Å; V1116-T1132 WeakPolarHBondContact CG1-OG1 2.96Å | ||
| 1117 | A | 85 | Confident | 81.6 | Confident | 10 Ų | 10 | 31.6 Ų | 31.6 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | trans | -111.5 | 133.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1121 C1123 Q1128 C1129 T1132 C1143 | A1117-A1121 HydrophobicContact CB-CB 4.47Å; A1117-C1123 HydrophobicContact CB-CB 4.46Å; A1117-Q1128 HydrophobicContact CB-CB 3.98Å; A1117-Q1128 PolarHBondContact N-O 2.92Å; A1117-C1129 WeakPolarHBondContact O-CA 3.36Å; A1117-T1132 PolarHBondContact O-OG1 3.07Å; A1117-C1143 VanDerWaalsContact CB-SG 3.57Å | ||
| 1118 | K | 83.8 | Confident | 81.9 | Confident | 133 Ų | 133 | 32.1 Ų | 32.1 | 58% | 0.578 | 19% | 0.192 | S | C | * | . | trans | -80.7 | 150.1 | -178.5 | -56.8 | -174.7 | 179.8 | 172 | 0 | 110.8 | G1120 A1121 T1132 C1143 | K1118-G1120 PolarHBondContact O-N 3.02Å; K1118-A1121 WeakPolarHBondContact O-CA 3.34Å; K1118-A1121 WeakPolarHBondContact O-CB 3.21Å; K1118-A1121 PolarHBondContact O-N 3.28Å; K1118-T1132 WeakPolarHBondContact CA-OG1 3.39Å; K1118-T1132 HydrophobicContact CB-CG2 4.21Å; K1118-T1132 HydrophobicContact CG-CG2 3.9Å; K1118-C1143 WeakPolarHBondContact O-CB 3.47Å | ||
| 1119 | P | 79.6 | Confident | 82.6 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 5% | 0.045 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | 127.4 | 170.4 | -26 | 28.8 | 0 | 0 | 0 | 112.8 | E1133 T1151 G1155 C1157 | P1119-E1133 HydrophobicContact CG-CB 4.2Å; P1119-E1133 HydrophobicContact CG-CG 3.93Å; P1119-T1151 HydrophobicContact CB-CG2 3.66Å; P1119-G1155 WeakPolarHBondContact CD-O 3.01Å; P1119-C1157 VanDerWaalsContact CG-SG 3.54Å |
| 1120 | G | 79.6 | Confident | 82.6 | Confident | 34 Ų | 34 | 30.2 Ų | 30.2 | 35% | 0.351 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -26.4 | -172 | 0 | 0 | 0 | 0 | 0 | 115.5 | K1118 R1142 C1143 | K1118-G1120 PolarHBondContact O-N 3.02Å; G1120-R1142 PolarHBondContact O-NH1 3.01Å; G1120-C1143 PolarHBondContact N-O 3.15Å |
| 1121 | A | 84.5 | Confident | 82.8 | Confident | 32 Ų | 32 | 32 Ų | 32 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -70 | 157.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A1117 K1118 R1142 C1143 | A1117-A1121 HydrophobicContact CB-CB 4.47Å; K1118-A1121 WeakPolarHBondContact O-CA 3.34Å; K1118-A1121 WeakPolarHBondContact O-CB 3.21Å; K1118-A1121 PolarHBondContact O-N 3.28Å; A1121-R1142 WeakPolarHBondContact O-CA 3.37Å; A1121-C1143 PolarHBondContact O-N 3.04Å |
| 1122 | P | 83 | Confident | 83 | Confident | 94 Ų | 94 | 33.9 Ų | 33.9 | 61% | 0.61 | 21% | 0.21 | S | C | * | . | B | Isolated β-bridge | trans | -65 | 148.5 | 173.9 | 28.4 | -35.8 | 0 | 0 | 0 | 112 | M1141 | P1122-M1141 CarbonylContact C-O 3.39Å; P1122-M1141 VanDerWaalsContact CA-O 3.28Å; P1122-M1141 WeakPolarHBondContact CA-O 3.23Å |
| 1123 | C | 88.5 | Confident | 83 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | trans | -149.4 | 162 | 176.7 | 57.5 | 0 | 0 | 0 | 0 | 111 | A1117 C1129 C1138 M1141 R1142 C1143 | A1117-C1123 HydrophobicContact CB-CB 4.46Å; C1123-C1129 VanDerWaalsContact SG-SG 3.68Å; C1123-C1138 HydrophobicContact CB-CB 3.98Å; C1123-C1138 WeakPolarHBondContact CB-SG 3.49Å; C1123-C1138 PolarHBondContact O-SG 3.35Å; C1123-C1138 WeakPolarHBondContact SG-CA 3.49Å; C1123-C1138 WeakPolarHBondContact SG-CB 3.26Å; C1123-C1138 CovalentContact SG-SG 2.03Å; C1123-C1138 PolarHBondContact SG-SG 3.3Å; C1123-M1141 PolarHBondContact N-O 3.27Å; C1123-M1141 CarbonylContact O-C 3.59Å; C1123-M1141 WeakPolarHBondContact O-CA 3.25Å; C1123-R1142 VanDerWaalsContact SG-CA 3.53Å; C1123-R1142 PolarHBondContact SG-N 2.92Å; C1123-C1143 PolarHBondContact SG-N 2.91Å | ||
| 1124 | Q | 84.4 | Confident | 82.8 | Confident | 49 Ų | 49 | 40.1 Ų | 40.1 | 23% | 0.229 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -115.1 | -23.6 | 167.7 | -70.2 | 173.4 | 22 | 0 | 0 | 112.4 | N1084 V1236 Y1252 | N1084-Q1124 PolarHBondContact O-NE2 2.95Å; Q1124-V1236 VanDerWaalsContact O-CG1 3.24Å; Q1124-V1236 WeakPolarHBondContact O-CG1 3.29Å; Q1124-Y1252 WeakPolarHBondContact O-CE1 3.32Å |
| 1125 | Y | 87 | Confident | 82.5 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -141.3 | 147 | -178.6 | -56.5 | -92 | 0 | 0 | 0 | 112 | V1107 E1109 A1110 M1114 Q1127 Q1128 Q1251 Y1252 | V1107-Y1125 HydrophobicContact CB-CG 4.47Å; V1107-Y1125 HydrophobicContact CG1-CD1 3.5Å; V1107-Y1125 HydrophobicContact CG1-CD2 3.81Å; V1107-Y1125 HydrophobicContact CG1-CE1 3.95Å; V1107-Y1125 HydrophobicContact CG1-CE2 4.25Å; V1107-Y1125 HydrophobicContact CG1-CG 3.42Å; V1107-Y1125 VanDerWaalsContact CG1-CG 3.42Å; V1107-Y1125 HydrophobicContact CG2-CD2 4.2Å; V1107-Y1125 HydrophobicContact CG2-CG 4.22Å; E1109-Y1125 HydrophobicContact CB-CD1 4.43Å; E1109-Y1125 HydrophobicContact CB-CE1 4.19Å; A1110-Y1125 HydrophobicContact CB-CE2 4.31Å; M1114-Y1125 HydrophobicContact CE-CD2 4.32Å; M1114-Y1125 HydrophobicContact CE-CE2 4.06Å; M1114-Y1125 HydrophobicContact SD-CD2 3.48Å; M1114-Y1125 WeakPolarHBondContact SD-CD2 3.1Å; M1114-Y1125 HydrophobicContact SD-CE2 3.72Å; Y1125-Q1127 VanDerWaalsContact C-N 3.26Å; Y1125-Q1127 PolarHBondContact O-N 3.09Å; Y1125-Q1128 WeakPolarHBondContact O-CB 3.17Å; Y1125-Q1128 PolarHBondContact O-N 2.9Å; Y1125-Q1128 VanDerWaalsContact O-N 3.13Å; Y1125-Q1251 WeakPolarHBondContact CE1-O 3.39Å; Y1125-Y1252 HydrophobicContact CD1-CD1 4.34Å; Y1125-Y1252 HydrophobicContact CD1-CE1 4.06Å; Y1125-Y1252 AromaticContact CE1-CD1 4Å; Y1125-Y1252 HydrophobicContact CE1-CD1 4Å; Y1125-Y1252 AromaticContact CE1-CE1 3.71Å; Y1125-Y1252 HydrophobicContact CE1-CE1 3.71Å |
| 1126 | S | 85.5 | Confident | 82.6 | Confident | 42 Ų | 42 | 39.5 Ų | 39.5 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.2 | -27.2 | -174.8 | -67.1 | 0 | 0 | 0 | 0 | 114.3 | Q1128 C1129 S1130 C1138 | S1126-Q1128 PolarHBondContact O-N 3.22Å; S1126-C1129 WeakPolarHBondContact O-CB 3.46Å; S1126-C1129 PolarHBondContact O-N 3.4Å; S1126-C1129 VanDerWaalsContact O-N 3.12Å; S1126-S1130 PolarHBondContact O-N 3.36Å; S1126-C1138 PolarHBondContact OG-N 3.19Å |
| 1127 | Q | 85.5 | Confident | 82.9 | Confident | 52 Ų | 52 | 39.4 Ų | 39.4 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.1 | -40.3 | 174.5 | -65.4 | 84.9 | -20.4 | 0 | 0 | 111.2 | V1105 V1107 Y1125 C1129 S1130 G1131 | V1105-Q1127 HydrophobicContact CG1-CB 4.05Å; V1105-Q1127 HydrophobicContact CG2-CB 4.03Å; V1107-Q1127 HydrophobicContact CG2-CB 4.37Å; Y1125-Q1127 VanDerWaalsContact C-N 3.26Å; Y1125-Q1127 PolarHBondContact O-N 3.09Å; Q1127-C1129 PolarHBondContact O-N 3.08Å; Q1127-S1130 PolarHBondContact O-N 3.04Å; Q1127-G1131 PolarHBondContact O-N 3.33Å |
| 1128 | Q | 87.9 | Confident | 83.1 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.8 | -39.8 | 178.9 | -59.8 | -175.5 | -91.8 | 0 | 0 | 111.7 | V1105 M1114 N1115 A1117 Y1125 S1126 | V1105-Q1128 HydrophobicContact CG1-CG 4.45Å; M1114-Q1128 HydrophobicContact CB-CG 4.07Å; N1115-Q1128 PolarHBondContact O-NE2 3.21Å; A1117-Q1128 HydrophobicContact CB-CB 3.98Å; A1117-Q1128 PolarHBondContact N-O 2.92Å; Y1125-Q1128 WeakPolarHBondContact O-CB 3.17Å; Y1125-Q1128 PolarHBondContact O-N 2.9Å; Y1125-Q1128 VanDerWaalsContact O-N 3.13Å; S1126-Q1128 PolarHBondContact O-N 3.22Å |
| 1129 | C | 89.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.3 | -45.8 | 179.8 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | A1117 C1123 S1126 Q1127 G1131 T1132 E1133 A1136 F1137 C1143 | A1117-C1129 WeakPolarHBondContact O-CA 3.36Å; C1123-C1129 VanDerWaalsContact SG-SG 3.68Å; S1126-C1129 WeakPolarHBondContact O-CB 3.46Å; S1126-C1129 PolarHBondContact O-N 3.4Å; S1126-C1129 VanDerWaalsContact O-N 3.12Å; Q1127-C1129 PolarHBondContact O-N 3.08Å; C1129-G1131 PolarHBondContact O-N 3.02Å; C1129-T1132 PolarHBondContact O-N 3.32Å; C1129-E1133 PolarHBondContact O-N 2.96Å; C1129-E1133 VanDerWaalsContact O-N 3.17Å; C1129-A1136 HydrophobicContact CB-CB 3.97Å; C1129-A1136 WeakPolarHBondContact CB-O 3.33Å; C1129-F1137 VanDerWaalsContact SG-C 3.59Å; C1129-C1143 WeakPolarHBondContact CA-SG 3.2Å; C1129-C1143 HydrophobicContact CB-CB 3.64Å; C1129-C1143 WeakPolarHBondContact CB-SG 3.18Å; C1129-C1143 WeakPolarHBondContact SG-CA 3.43Å; C1129-C1143 WeakPolarHBondContact SG-CB 3.35Å; C1129-C1143 CovalentContact SG-SG 2.03Å; C1129-C1143 PolarHBondContact SG-SG 3.49Å |
| 1130 | S | 81.5 | Confident | 83 | Confident | 46 Ų | 46 | 38 Ų | 38 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.7 | -22.8 | 178 | -82.4 | 0 | 0 | 0 | 0 | 113.7 | S1126 Q1127 T1132 E1133 G1135 A1136 | S1126-S1130 PolarHBondContact O-N 3.36Å; Q1127-S1130 PolarHBondContact O-N 3.04Å; S1130-T1132 VanDerWaalsContact C-N 3.34Å; S1130-E1133 WeakPolarHBondContact CA-O 3.3Å; S1130-E1133 CarbonylContact O-C 3.38Å; S1130-G1135 PolarHBondContact OG-N 3.44Å; S1130-A1136 WeakPolarHBondContact CA-O 3.47Å; S1130-A1136 PolarHBondContact N-O 2.73Å; S1130-A1136 PolarHBondContact OG-O 3.39Å |
| 1131 | G | 78.3 | Confident | 83.1 | Confident | 43 Ų | 43 | 41 Ų | 41 | 44% | 0.443 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -26.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1116 Q1127 C1129 | V1116-G1131 VanDerWaalsContact CG1-C 3.4Å; Q1127-G1131 PolarHBondContact O-N 3.33Å; C1129-G1131 PolarHBondContact O-N 3.02Å |
| 1132 | T | 80.2 | Confident | 83.3 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 31% | 0.307 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -48.5 | 173.3 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | V1116 A1117 K1118 C1129 S1130 | V1116-T1132 WeakPolarHBondContact CG1-OG1 2.96Å; A1117-T1132 PolarHBondContact O-OG1 3.07Å; K1118-T1132 WeakPolarHBondContact CA-OG1 3.39Å; K1118-T1132 HydrophobicContact CB-CG2 4.21Å; K1118-T1132 HydrophobicContact CG-CG2 3.9Å; C1129-T1132 PolarHBondContact O-N 3.32Å; S1130-T1132 VanDerWaalsContact C-N 3.34Å |
| 1133 | E | 78.5 | Confident | 83.5 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -134.9 | 107.3 | -172.5 | -85.8 | -83.6 | -159.4 | 0 | 0 | 108.1 | P1119 C1129 S1130 G1135 A1136 C1157 R1167 | P1119-E1133 HydrophobicContact CG-CB 4.2Å; P1119-E1133 HydrophobicContact CG-CG 3.93Å; C1129-E1133 PolarHBondContact O-N 2.96Å; C1129-E1133 VanDerWaalsContact O-N 3.17Å; S1130-E1133 WeakPolarHBondContact CA-O 3.3Å; S1130-E1133 CarbonylContact O-C 3.38Å; E1133-G1135 PolarHBondContact O-N 3.2Å; E1133-A1136 HydrophobicContact CB-CB 3.89Å; E1133-A1136 WeakPolarHBondContact O-CB 3.44Å; E1133-A1136 PolarHBondContact O-N 2.67Å; E1133-C1157 HydrophobicContact CG-CB 4.21Å; E1133-C1157 PolarHBondContact OE1-N 2.7Å; E1133-R1167 IonicContact OE2-NH2 3.75Å; E1133-R1167 PolarHBondContact OE2-NH2 3.11Å |
| 1134 | V | 73.9 | Confident | 83.4 | Confident | 103 Ų | 103 | 49.1 Ų | 49.1 | 62% | 0.624 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 115 | -173 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | R1167 | V1134-R1167 PolarHBondContact O-NE 3.18Å; V1134-R1167 PolarHBondContact O-NH1 3.25Å |
| 1135 | G | 72.2 | Confident | 83.6 | Confident | 35 Ų | 35 | 47 Ų | 47 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99 | -8.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1130 E1133 V1146 | S1130-G1135 PolarHBondContact OG-N 3.44Å; E1133-G1135 PolarHBondContact O-N 3.2Å; G1135-V1146 VanDerWaalsContact C-CG2 3.4Å; G1135-V1146 WeakPolarHBondContact O-CG2 3.19Å |
| 1136 | A | 84.7 | Confident | 83.4 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | trans | -65.1 | 144.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | C1129 S1130 E1133 R1144 | C1129-A1136 HydrophobicContact CB-CB 3.97Å; C1129-A1136 WeakPolarHBondContact CB-O 3.33Å; S1130-A1136 WeakPolarHBondContact CA-O 3.47Å; S1130-A1136 PolarHBondContact N-O 2.73Å; S1130-A1136 PolarHBondContact OG-O 3.39Å; E1133-A1136 HydrophobicContact CB-CB 3.89Å; E1133-A1136 WeakPolarHBondContact O-CB 3.44Å; E1133-A1136 PolarHBondContact O-N 2.67Å; A1136-R1144 CarbonylContact C-O 3.57Å; A1136-R1144 VanDerWaalsContact CA-O 3.26Å; A1136-R1144 WeakPolarHBondContact CA-O 3.24Å; A1136-R1144 VanDerWaalsContact CB-O 3.3Å; A1136-R1144 WeakPolarHBondContact CB-O 3.44Å | ||
| 1137 | F | 88.1 | Confident | 83.3 | Confident | 39 Ų | 39 | 48.1 Ų | 48.1 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 162.7 | -169.8 | 60.2 | -88.1 | 0 | 0 | 0 | 111.7 | C1129 I1139 C1143 R1144 C1145 Y1147 | C1129-F1137 VanDerWaalsContact SG-C 3.59Å; F1137-I1139 HydrophobicContact CD2-CB 4.15Å; F1137-I1139 HydrophobicContact CD2-CG2 4.16Å; F1137-I1139 HydrophobicContact CE2-CB 3.94Å; F1137-I1139 HydrophobicContact CE2-CD1 4.32Å; F1137-I1139 HydrophobicContact CE2-CG2 3.69Å; F1137-C1143 WeakPolarHBondContact O-CA 3.38Å; F1137-R1144 HydrophobicContact CE2-CB 4.41Å; F1137-R1144 HydrophobicContact CZ-CB 4.26Å; F1137-R1144 PolarHBondContact N-O 3.07Å; F1137-R1144 PolarHBondContact O-N 2.88Å; F1137-C1145 WeakPolarHBondContact CE1-O 3.16Å; F1137-Y1147 HydrophobicContact CE1-CD1 4.25Å; F1137-Y1147 HydrophobicContact CE1-CE1 4.12Å; F1137-Y1147 HydrophobicContact CE2-CE1 4.2Å; F1137-Y1147 AromaticContact CZ-CD1 3.88Å; F1137-Y1147 HydrophobicContact CZ-CD1 3.88Å; F1137-Y1147 AromaticContact CZ-CE1 3.38Å; F1137-Y1147 HydrophobicContact CZ-CE1 3.38Å; F1137-Y1147 HydrophobicContact CZ-CE2 4.36Å; F1137-Y1147 AromaticContact CZ-CZ 3.64Å |
| 1138 | C | 87.8 | Confident | 82.8 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.8 | -177.9 | -167 | 0 | 0 | 0 | 0 | 110.2 | C1123 S1126 | C1123-C1138 HydrophobicContact CB-CB 3.98Å; C1123-C1138 WeakPolarHBondContact CB-SG 3.49Å; C1123-C1138 PolarHBondContact O-SG 3.35Å; C1123-C1138 WeakPolarHBondContact SG-CA 3.49Å; C1123-C1138 WeakPolarHBondContact SG-CB 3.26Å; C1123-C1138 CovalentContact SG-SG 2.03Å; C1123-C1138 PolarHBondContact SG-SG 3.3Å; S1126-C1138 PolarHBondContact OG-N 3.19Å |
| 1139 | I | 83.8 | Confident | 82.6 | Confident | 26 Ų | 26 | 46.1 Ų | 46.1 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 133.2 | 178.4 | -172.9 | 172 | 0 | 0 | 0 | 109.3 | F1137 M1141 R1142 R1144 T1222 | F1137-I1139 HydrophobicContact CD2-CB 4.15Å; F1137-I1139 HydrophobicContact CD2-CG2 4.16Å; F1137-I1139 HydrophobicContact CE2-CB 3.94Å; F1137-I1139 HydrophobicContact CE2-CD1 4.32Å; F1137-I1139 HydrophobicContact CE2-CG2 3.69Å; I1139-M1141 VanDerWaalsContact C-N 3.27Å; I1139-M1141 PolarHBondContact O-N 3.33Å; I1139-R1142 PolarHBondContact N-O 3.47Å; I1139-R1142 PolarHBondContact O-N 3.38Å; I1139-R1142 VanDerWaalsContact O-N 3.13Å; I1139-R1142 VanDerWaalsContact O-O 3.05Å; I1139-R1144 HydrophobicContact CG2-CB 3.91Å; I1139-R1144 HydrophobicContact CG2-CG 3.61Å; I1139-T1222 HydrophobicContact CD1-CG2 4.46Å |
| 1140 | N | 79.3 | Confident | 82.4 | Confident | 89 Ų | 89 | 53.8 Ų | 53.8 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 50.7 | -171.6 | -164.6 | 7.1 | 0 | 0 | 0 | 112.5 | R1142 G1235 V1236 N1238 | N1140-R1142 PolarHBondContact O-N 3.04Å; N1140-G1235 PolarHBondContact N-O 3.06Å; N1140-G1235 VanDerWaalsContact N-O 3.14Å; N1140-V1236 CarbonylContact C-O 3.37Å; N1140-V1236 VanDerWaalsContact CA-O 3.31Å; N1140-V1236 WeakPolarHBondContact CA-O 3.42Å; N1140-V1236 PolarHBondContact N-O 2.8Å; N1140-V1236 VanDerWaalsContact N-O 3.13Å; N1140-N1238 HydrophobicContact CB-CB 3.99Å; N1140-N1238 WeakPolarHBondContact OD1-CB 3.47Å |
| 1141 | M | 81.7 | Confident | 82.3 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 47% | 0.473 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 19 | -178.3 | -66.1 | 171.7 | 53.4 | 0 | 0 | 116.2 | P1122 C1123 I1139 V1236 L1237 | P1122-M1141 CarbonylContact C-O 3.39Å; P1122-M1141 VanDerWaalsContact CA-O 3.28Å; P1122-M1141 WeakPolarHBondContact CA-O 3.23Å; C1123-M1141 PolarHBondContact N-O 3.27Å; C1123-M1141 CarbonylContact O-C 3.59Å; C1123-M1141 WeakPolarHBondContact O-CA 3.25Å; I1139-M1141 VanDerWaalsContact C-N 3.27Å; I1139-M1141 PolarHBondContact O-N 3.33Å; M1141-V1236 PolarHBondContact N-O 3.11Å; M1141-L1237 HydrophobicContact CG-CD2 4.01Å; M1141-L1237 HydrophobicContact SD-CD2 3.98Å |
| 1142 | R | 86.8 | Confident | 82.1 | Confident | 144 Ų | 144 | 54.7 Ų | 54.7 | 54% | 0.543 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.1 | 175 | -68.7 | -174.5 | 179.8 | -88.3 | -3.3 | 112.6 | G1120 A1121 C1123 I1139 N1140 R1144 | G1120-R1142 PolarHBondContact O-NH1 3.01Å; A1121-R1142 WeakPolarHBondContact O-CA 3.37Å; C1123-R1142 VanDerWaalsContact SG-CA 3.53Å; C1123-R1142 PolarHBondContact SG-N 2.92Å; I1139-R1142 PolarHBondContact N-O 3.47Å; I1139-R1142 PolarHBondContact O-N 3.38Å; I1139-R1142 VanDerWaalsContact O-N 3.13Å; I1139-R1142 VanDerWaalsContact O-O 3.05Å; N1140-R1142 PolarHBondContact O-N 3.04Å; R1142-R1144 PolarHBondContact O-N 3.06Å |
| 1143 | C | 88.1 | Confident | 81.6 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 123.4 | 175.6 | -71 | 0 | 0 | 0 | 0 | 110.7 | A1117 K1118 G1120 A1121 C1123 C1129 F1137 | A1117-C1143 VanDerWaalsContact CB-SG 3.57Å; K1118-C1143 WeakPolarHBondContact O-CB 3.47Å; G1120-C1143 PolarHBondContact N-O 3.15Å; A1121-C1143 PolarHBondContact O-N 3.04Å; C1123-C1143 PolarHBondContact SG-N 2.91Å; C1129-C1143 WeakPolarHBondContact CA-SG 3.2Å; C1129-C1143 HydrophobicContact CB-CB 3.64Å; C1129-C1143 WeakPolarHBondContact CB-SG 3.18Å; C1129-C1143 WeakPolarHBondContact SG-CA 3.43Å; C1129-C1143 WeakPolarHBondContact SG-CB 3.35Å; C1129-C1143 CovalentContact SG-SG 2.03Å; C1129-C1143 PolarHBondContact SG-SG 3.49Å; F1137-C1143 WeakPolarHBondContact O-CA 3.38Å |
| 1144 | R | 87 | Confident | 81.3 | Confident | 158 Ų | 158 | 64.9 Ų | 64.9 | 60% | 0.596 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 152.5 | 169.2 | -69.4 | -161.2 | 179.7 | -159.6 | -1.2 | 110.9 | A1136 F1137 I1139 R1142 | A1136-R1144 CarbonylContact C-O 3.57Å; A1136-R1144 VanDerWaalsContact CA-O 3.26Å; A1136-R1144 WeakPolarHBondContact CA-O 3.24Å; A1136-R1144 VanDerWaalsContact CB-O 3.3Å; A1136-R1144 WeakPolarHBondContact CB-O 3.44Å; F1137-R1144 HydrophobicContact CE2-CB 4.41Å; F1137-R1144 HydrophobicContact CZ-CB 4.26Å; F1137-R1144 PolarHBondContact N-O 3.07Å; F1137-R1144 PolarHBondContact O-N 2.88Å; I1139-R1144 HydrophobicContact CG2-CB 3.91Å; I1139-R1144 HydrophobicContact CG2-CG 3.61Å; R1142-R1144 PolarHBondContact O-N 3.06Å |
| 1145 | C | 87.1 | Confident | 81.2 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 160.2 | 174.8 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | F1137 Y1147 M1149 C1157 | F1137-C1145 WeakPolarHBondContact CE1-O 3.16Å; C1145-Y1147 PolarHBondContact O-N 3.22Å; C1145-M1149 HydrophobicContact CB-CB 3.77Å; C1145-C1157 WeakPolarHBondContact CA-SG 3.36Å; C1145-C1157 HydrophobicContact CB-CB 3.74Å; C1145-C1157 WeakPolarHBondContact CB-SG 3.48Å; C1145-C1157 WeakPolarHBondContact SG-CA 3.32Å; C1145-C1157 WeakPolarHBondContact SG-CB 3.49Å; C1145-C1157 CovalentContact SG-SG 2.03Å; C1145-C1157 PolarHBondContact SG-SG 2.73Å |
| 1146 | V | 83.8 | Confident | 81.5 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -47.1 | 139.9 | 166.6 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | G1135 M1149 R1167 | G1135-V1146 VanDerWaalsContact C-CG2 3.4Å; G1135-V1146 WeakPolarHBondContact O-CG2 3.19Å; V1146-M1149 HydrophobicContact CB-SD 4.29Å; V1146-M1149 VanDerWaalsContact O-CB 3.24Å; V1146-M1149 WeakPolarHBondContact O-CB 3.39Å; V1146-M1149 PolarHBondContact O-N 3.14Å; V1146-R1167 HydrophobicContact CG1-CB 4.28Å |
| 1147 | Y | 83.6 | Confident | 81.4 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 18% | 0.184 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 144.9 | 176.9 | -56.3 | -52.6 | 0 | 0 | 0 | 112.3 | F1137 C1145 M1149 G1168 V1181 A1183 S1198 G1221 | F1137-Y1147 HydrophobicContact CE1-CD1 4.25Å; F1137-Y1147 HydrophobicContact CE1-CE1 4.12Å; F1137-Y1147 HydrophobicContact CE2-CE1 4.2Å; F1137-Y1147 AromaticContact CZ-CD1 3.88Å; F1137-Y1147 HydrophobicContact CZ-CD1 3.88Å; F1137-Y1147 AromaticContact CZ-CE1 3.38Å; F1137-Y1147 HydrophobicContact CZ-CE1 3.38Å; F1137-Y1147 HydrophobicContact CZ-CE2 4.36Å; F1137-Y1147 AromaticContact CZ-CZ 3.64Å; C1145-Y1147 PolarHBondContact O-N 3.22Å; Y1147-M1149 VanDerWaalsContact C-N 3.29Å; Y1147-G1168 WeakPolarHBondContact O-CA 3.08Å; Y1147-G1168 PolarHBondContact O-N 2.94Å; Y1147-V1181 VanDerWaalsContact CB-CG1 3.47Å; Y1147-V1181 HydrophobicContact CG-CG1 4.26Å; Y1147-A1183 HydrophobicContact CE2-CB 4.37Å; Y1147-S1198 VanDerWaalsContact CD1-CA 3.43Å; Y1147-S1198 WeakPolarHBondContact CE1-O 3.43Å; Y1147-G1221 PolarHBondContact OH-O 2.75Å |
| 1148 | G | 74.7 | Confident | 81.1 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -0.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1160 | G1148-I1160 WeakPolarHBondContact O-CB 3.32Å; G1148-I1160 WeakPolarHBondContact O-CG1 3.46Å; G1148-I1160 PolarHBondContact O-N 3Å |
| 1149 | M | 84.7 | Confident | 80.8 | Confident | 20 Ų | 20 | 71 Ų | 71 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 147 | 175.7 | -52.2 | -174.4 | 83.1 | 0 | 0 | 112.9 | C1145 V1146 Y1147 C1157 T1158 F1159 R1167 | C1145-M1149 HydrophobicContact CB-CB 3.77Å; V1146-M1149 HydrophobicContact CB-SD 4.29Å; V1146-M1149 VanDerWaalsContact O-CB 3.24Å; V1146-M1149 WeakPolarHBondContact O-CB 3.39Å; V1146-M1149 PolarHBondContact O-N 3.14Å; Y1147-M1149 VanDerWaalsContact C-N 3.29Å; M1149-C1157 HydrophobicContact CE-CB 3.97Å; M1149-C1157 HydrophobicContact SD-CB 4.24Å; M1149-T1158 CarbonylContact C-O 3.54Å; M1149-T1158 WeakPolarHBondContact CA-O 3.33Å; M1149-T1158 WeakPolarHBondContact CB-O 3.25Å; M1149-F1159 HydrophobicContact CE-CD1 4.05Å; M1149-F1159 HydrophobicContact CE-CD2 4.19Å; M1149-F1159 HydrophobicContact CE-CE1 3.9Å; M1149-F1159 HydrophobicContact CE-CE2 4.04Å; M1149-F1159 HydrophobicContact CE-CG 4.19Å; M1149-F1159 HydrophobicContact CE-CZ 3.89Å; M1149-F1159 HydrophobicContact CG-CD1 3.79Å; M1149-F1159 HydrophobicContact CG-CE1 4.01Å; M1149-F1159 HydrophobicContact CG-CG 4.5Å; M1149-F1159 HydrophobicContact SD-CD1 4.34Å; M1149-F1159 HydrophobicContact SD-CE1 4.02Å; M1149-F1159 HydrophobicContact SD-CZ 4.43Å; M1149-R1167 HydrophobicContact SD-CG 3.86Å |
| 1150 | R | 83.6 | Confident | 80.4 | Confident | 160 Ų | 160 | 73.9 Ų | 73.9 | 60% | 0.604 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 152.5 | 175.2 | 66 | 179.4 | -175.7 | 179.8 | 1.3 | 112.1 | T1158 I1160 | R1150-T1158 PolarHBondContact N-O 3.02Å; R1150-T1158 PolarHBondContact O-N 3.01Å; R1150-T1158 PolarHBondContact O-OG1 3.31Å; R1150-I1160 HydrophobicContact CB-CG1 4.09Å |
| 1151 | T | 80 | Confident | 80.1 | Confident | 69 Ų | 69 | 72 Ų | 72 | 42% | 0.423 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 137.3 | 172.1 | 51.4 | 0 | 0 | 0 | 0 | 111.4 | P1119 R1156 | P1119-T1151 HydrophobicContact CB-CG2 3.66Å; T1151-R1156 CarbonylContact C-O 3.53Å; T1151-R1156 WeakPolarHBondContact CA-O 3.33Å |
| 1152 | T | 74.9 | Confident | 79.6 | Confident | 40 Ų | 40 | 73 Ų | 73 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | trans | -86 | 161.3 | 164.8 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | T1154 G1155 R1156 T1158 | T1152-T1154 PolarHBondContact O-N 3.07Å; T1152-T1154 PolarHBondContact OG1-OG1 3.38Å; T1152-G1155 PolarHBondContact O-N 3.06Å; T1152-R1156 PolarHBondContact N-O 3.15Å; T1152-R1156 PolarHBondContact OG1-N 2.94Å; T1152-R1156 PolarHBondContact OG1-O 2.91Å; T1152-T1158 HydrophobicContact CG2-CG2 3.54Å | ||
| 1153 | D | 69.6 | Low | 79.2 | Confident | 179 Ų | 179 | 68.6 Ų | 68.6 | 96% | 0.957 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.4 | 172.7 | -43.7 | -35.5 | 0 | 0 | 0 | 112.8 | ||
| 1154 | T | 72.7 | Confident | 78.6 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 2.6 | 176.2 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | T1152 | T1152-T1154 PolarHBondContact O-N 3.07Å; T1152-T1154 PolarHBondContact OG1-OG1 3.38Å |
| 1155 | G | 71.1 | Confident | 78.1 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 71.3 | 38.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1119 T1152 | P1119-G1155 WeakPolarHBondContact CD-O 3.01Å; T1152-G1155 PolarHBondContact O-N 3.06Å |
| 1156 | R | 79.2 | Confident | 77.4 | Confident | 173 Ų | 173 | 75 Ų | 75 | 65% | 0.653 | 38% | 0.38 | S | S | * | . | trans | -120.1 | 165.1 | 171.3 | -73.9 | -170.6 | 174.2 | -168.4 | -2.8 | 111.5 | T1151 T1152 | T1151-R1156 CarbonylContact C-O 3.53Å; T1151-R1156 WeakPolarHBondContact CA-O 3.33Å; T1152-R1156 PolarHBondContact N-O 3.15Å; T1152-R1156 PolarHBondContact OG1-N 2.94Å; T1152-R1156 PolarHBondContact OG1-O 2.91Å | ||
| 1157 | C | 81.2 | Confident | 76.8 | Confident | 16 Ų | 16 | 79.6 Ų | 79.6 | 11% | 0.108 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.9 | 178.1 | -65.4 | 0 | 0 | 0 | 0 | 112 | P1119 E1133 C1145 M1149 | P1119-C1157 VanDerWaalsContact CG-SG 3.54Å; E1133-C1157 HydrophobicContact CG-CB 4.21Å; E1133-C1157 PolarHBondContact OE1-N 2.7Å; C1145-C1157 WeakPolarHBondContact CA-SG 3.36Å; C1145-C1157 HydrophobicContact CB-CB 3.74Å; C1145-C1157 WeakPolarHBondContact CB-SG 3.48Å; C1145-C1157 WeakPolarHBondContact SG-CA 3.32Å; C1145-C1157 WeakPolarHBondContact SG-CB 3.49Å; C1145-C1157 CovalentContact SG-SG 2.03Å; C1145-C1157 PolarHBondContact SG-SG 2.73Å; M1149-C1157 HydrophobicContact CE-CB 3.97Å; M1149-C1157 HydrophobicContact SD-CB 4.24Å |
| 1158 | T | 82.2 | Confident | 76.7 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 146.8 | 175.8 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | M1149 R1150 T1152 | M1149-T1158 CarbonylContact C-O 3.54Å; M1149-T1158 WeakPolarHBondContact CA-O 3.33Å; M1149-T1158 WeakPolarHBondContact CB-O 3.25Å; R1150-T1158 PolarHBondContact N-O 3.02Å; R1150-T1158 PolarHBondContact O-N 3.01Å; R1150-T1158 PolarHBondContact O-OG1 3.31Å; T1152-T1158 HydrophobicContact CG2-CG2 3.54Å |
| 1159 | F | 80.8 | Confident | 77.2 | Confident | 56 Ų | 56 | 80.2 Ų | 80.2 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 140.2 | 179.1 | -63.6 | -76.5 | 0 | 0 | 0 | 111.7 | M1149 N1161 C1164 T1165 R1166 R1167 | M1149-F1159 HydrophobicContact CE-CD1 4.05Å; M1149-F1159 HydrophobicContact CE-CD2 4.19Å; M1149-F1159 HydrophobicContact CE-CE1 3.9Å; M1149-F1159 HydrophobicContact CE-CE2 4.04Å; M1149-F1159 HydrophobicContact CE-CG 4.19Å; M1149-F1159 HydrophobicContact CE-CZ 3.89Å; M1149-F1159 HydrophobicContact CG-CD1 3.79Å; M1149-F1159 HydrophobicContact CG-CE1 4.01Å; M1149-F1159 HydrophobicContact CG-CG 4.5Å; M1149-F1159 HydrophobicContact SD-CD1 4.34Å; M1149-F1159 HydrophobicContact SD-CE1 4.02Å; M1149-F1159 HydrophobicContact SD-CZ 4.43Å; F1159-N1161 VanDerWaalsContact C-N 3.31Å; F1159-N1161 WeakPolarHBondContact CB-O 3.44Å; F1159-C1164 VanDerWaalsContact CD1-O 3.29Å; F1159-C1164 WeakPolarHBondContact CD1-O 3.34Å; F1159-C1164 WeakPolarHBondContact CD2-O 3.39Å; F1159-C1164 WeakPolarHBondContact CG-O 3.48Å; F1159-T1165 VanDerWaalsContact CZ-C 3.47Å; F1159-T1165 WeakPolarHBondContact CZ-O 3.41Å; F1159-R1166 WeakPolarHBondContact CE1-O 3.4Å; F1159-R1167 HydrophobicContact CE1-CG 4.49Å; F1159-R1167 HydrophobicContact CZ-CG 4.43Å |
| 1160 | I | 75.4 | Confident | 77.3 | Confident | 86 Ų | 86 | 80 Ų | 80 | 44% | 0.441 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -64.3 | -41.3 | 177.1 | -70.5 | 170.9 | 0 | 0 | 0 | 109.8 | G1148 R1150 I1170 | G1148-I1160 WeakPolarHBondContact O-CB 3.32Å; G1148-I1160 WeakPolarHBondContact O-CG1 3.46Å; G1148-I1160 PolarHBondContact O-N 3Å; R1150-I1160 HydrophobicContact CB-CG1 4.09Å; I1160-I1170 HydrophobicContact CG2-CD1 4.47Å |
| 1161 | N | 74 | Confident | 77.4 | Confident | 50 Ų | 50 | 74.9 Ų | 74.9 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -121 | 127 | 171.1 | -171.6 | -47.1 | 0 | 0 | 0 | 109.3 | F1159 N1163 C1164 W1171 | F1159-N1161 VanDerWaalsContact C-N 3.31Å; F1159-N1161 WeakPolarHBondContact CB-O 3.44Å; N1161-N1163 PolarHBondContact O-N 2.62Å; N1161-N1163 WeakPolarHBondContact OD1-CB 3.41Å; N1161-N1163 PolarHBondContact OD1-N 2.89Å; N1161-C1164 PolarHBondContact O-N 2.76Å; N1161-W1171 HydrophobicContact CB-CB 3.68Å; N1161-W1171 HydrophobicContact CB-CG 4.49Å; N1161-W1171 WeakPolarHBondContact ND2-CB 3.37Å |
| 1162 | T | 72.2 | Confident | 77.5 | Confident | 117 Ų | 117 | 71.6 Ų | 71.6 | 72% | 0.718 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.2 | -175.8 | 45.6 | 0 | 0 | 0 | 0 | 114.8 | C1164 | T1162-C1164 PolarHBondContact O-N 3.34Š|
| 1163 | N | 77.6 | Confident | 77.3 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -19.8 | 178.8 | -60.7 | 3.1 | 0 | 0 | 0 | 111.6 | N1161 W1171 | N1161-N1163 PolarHBondContact O-N 2.62Å; N1161-N1163 WeakPolarHBondContact OD1-CB 3.41Å; N1161-N1163 PolarHBondContact OD1-N 2.89Å; N1163-W1171 HydrophobicContact CB-CD2 3.56Å; N1163-W1171 HydrophobicContact CB-CE3 3.3Å; N1163-W1171 HydrophobicContact CB-CG 4.11Å; N1163-W1171 HydrophobicContact CB-CH2 4.17Å; N1163-W1171 HydrophobicContact CB-CZ2 4.42Å; N1163-W1171 HydrophobicContact CB-CZ3 3.64Å; N1163-W1171 WeakPolarHBondContact ND2-CZ2 3.41Å |
| 1164 | C | 75.5 | Confident | 77.2 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | trans | -102.5 | 123.2 | 174.2 | -59 | 0 | 0 | 0 | 0 | 111.8 | F1159 N1161 T1162 M1169 W1171 C1178 | F1159-C1164 VanDerWaalsContact CD1-O 3.29Å; F1159-C1164 WeakPolarHBondContact CD1-O 3.34Å; F1159-C1164 WeakPolarHBondContact CD2-O 3.39Å; F1159-C1164 WeakPolarHBondContact CG-O 3.48Å; N1161-C1164 PolarHBondContact O-N 2.76Å; T1162-C1164 PolarHBondContact O-N 3.34Å; C1164-M1169 HydrophobicContact CB-CB 4.07Å; C1164-W1171 WeakPolarHBondContact SG-CA 3.38Å; C1164-W1171 VanDerWaalsContact SG-CB 3.57Å; C1164-W1171 PolarHBondContact SG-N 3.39Å; C1164-C1178 WeakPolarHBondContact CA-SG 3.44Å; C1164-C1178 HydrophobicContact CB-CB 4.08Å; C1164-C1178 WeakPolarHBondContact CB-SG 3.12Å; C1164-C1178 WeakPolarHBondContact SG-CB 3.36Å; C1164-C1178 CovalentContact SG-SG 2.03Å; C1164-C1178 PolarHBondContact SG-SG 2.63Å | ||
| 1165 | T | 75.5 | Confident | 76.9 | Confident | 108 Ų | 108 | 62.4 Ų | 62.4 | 66% | 0.663 | 31% | 0.314 | S | S | * | . | trans | -111.4 | -8.4 | -174.1 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | F1159 | F1159-T1165 VanDerWaalsContact CZ-C 3.47Å; F1159-T1165 WeakPolarHBondContact CZ-O 3.41Å | ||
| 1166 | R | 73.2 | Confident | 77.1 | Confident | 189 Ų | 189 | 63.9 Ų | 63.9 | 71% | 0.713 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -94.2 | 132.8 | 173.4 | -66.5 | 179.7 | 179.4 | -174.3 | 0.1 | 109.8 | F1159 M1169 | F1159-R1166 WeakPolarHBondContact CE1-O 3.4Å; R1166-M1169 HydrophobicContact CB-CG 3.66Å; R1166-M1169 WeakPolarHBondContact O-CB 3.4Å; R1166-M1169 WeakPolarHBondContact O-CG 3.41Å; R1166-M1169 PolarHBondContact O-N 3.12Å |
| 1167 | R | 71.5 | Confident | 77 | Confident | 124 Ų | 124 | 59.8 Ų | 59.8 | 47% | 0.468 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 138.4 | 173.2 | -73.6 | -178.9 | 166.5 | 144.3 | -8.4 | 109.8 | E1133 V1134 V1146 M1149 F1159 | E1133-R1167 IonicContact OE2-NH2 3.75Å; E1133-R1167 PolarHBondContact OE2-NH2 3.11Å; V1134-R1167 PolarHBondContact O-NE 3.18Å; V1134-R1167 PolarHBondContact O-NH1 3.25Å; V1146-R1167 HydrophobicContact CG1-CB 4.28Å; M1149-R1167 HydrophobicContact SD-CG 3.86Å; F1159-R1167 HydrophobicContact CE1-CG 4.49Å; F1159-R1167 HydrophobicContact CZ-CG 4.43Å |
| 1168 | G | 80.4 | Confident | 77 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 19.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1147 A1180 V1181 | Y1147-G1168 WeakPolarHBondContact O-CA 3.08Å; Y1147-G1168 PolarHBondContact O-N 2.94Å; G1168-A1180 WeakPolarHBondContact O-CA 3.19Å; G1168-V1181 PolarHBondContact O-N 3.46Å |
| 1169 | M | 86.4 | Confident | 77.2 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 20% | 0.202 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 148.8 | 173.3 | -54.6 | -65.7 | -77.3 | 0 | 0 | 111.4 | C1164 R1166 C1178 K1179 A1180 | C1164-M1169 HydrophobicContact CB-CB 4.07Å; R1166-M1169 HydrophobicContact CB-CG 3.66Å; R1166-M1169 WeakPolarHBondContact O-CB 3.4Å; R1166-M1169 WeakPolarHBondContact O-CG 3.41Å; R1166-M1169 PolarHBondContact O-N 3.12Å; M1169-C1178 HydrophobicContact CB-CB 4.27Å; M1169-C1178 HydrophobicContact CE-CB 3.92Å; M1169-C1178 WeakPolarHBondContact CE-O 3.4Å; M1169-K1179 WeakPolarHBondContact CA-O 3.13Å; M1169-K1179 VanDerWaalsContact CE-C 3.47Å; M1169-A1180 HydrophobicContact SD-CB 4.12Å |
| 1170 | I | 86.1 | Confident | 77.4 | Confident | 16 Ų | 16 | 59.9 Ų | 59.9 | 8% | 0.082 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.9 | 168.8 | -172.5 | 62.2 | 0 | 0 | 0 | 109.5 | I1160 C1178 K1179 V1181 Q1193 Q1194 A1197 | I1160-I1170 HydrophobicContact CG2-CD1 4.47Å; I1170-C1178 WeakPolarHBondContact O-CA 3.41Å; I1170-K1179 PolarHBondContact N-O 3.2Å; I1170-K1179 PolarHBondContact O-N 3.19Å; I1170-K1179 VanDerWaalsContact O-N 3.08Å; I1170-V1181 HydrophobicContact CB-CG2 3.73Å; I1170-V1181 HydrophobicContact CG2-CG2 3.9Å; I1170-Q1193 HydrophobicContact CG1-CB 4.45Å; I1170-Q1194 HydrophobicContact CG2-CG 4.19Å; I1170-A1197 HydrophobicContact CB-CB 4.01Å; I1170-A1197 HydrophobicContact CD1-CB 4.12Å; I1170-A1197 HydrophobicContact CG1-CB 3.95Å; I1170-A1197 HydrophobicContact CG2-CB 4.41Å |
| 1171 | W | 85.1 | Confident | 78 | Confident | 53 Ų | 53 | 56.8 Ų | 56.8 | 20% | 0.201 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123 | 175.1 | 174.1 | -96.1 | 0 | 0 | 0 | 109.2 | N1161 N1163 C1164 A1173 G1176 Q1193 | N1161-W1171 HydrophobicContact CB-CB 3.68Å; N1161-W1171 HydrophobicContact CB-CG 4.49Å; N1161-W1171 WeakPolarHBondContact ND2-CB 3.37Å; N1163-W1171 HydrophobicContact CB-CD2 3.56Å; N1163-W1171 HydrophobicContact CB-CE3 3.3Å; N1163-W1171 HydrophobicContact CB-CG 4.11Å; N1163-W1171 HydrophobicContact CB-CH2 4.17Å; N1163-W1171 HydrophobicContact CB-CZ2 4.42Å; N1163-W1171 HydrophobicContact CB-CZ3 3.64Å; N1163-W1171 WeakPolarHBondContact ND2-CZ2 3.41Å; C1164-W1171 WeakPolarHBondContact SG-CA 3.38Å; C1164-W1171 VanDerWaalsContact SG-CB 3.57Å; C1164-W1171 PolarHBondContact SG-N 3.39Å; W1171-A1173 VanDerWaalsContact NE1-CA 3.35Å; W1171-G1176 WeakPolarHBondContact CH2-O 3.01Å; W1171-G1176 VanDerWaalsContact CZ3-O 3.29Å; W1171-G1176 WeakPolarHBondContact CZ3-O 3.39Å; W1171-Q1193 PolarHBondContact O-OE1 2.97Å |
| 1172 | I | 81.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 103.9 | 173.8 | -65.9 | 167.1 | 0 | 0 | 0 | 106 | E1174 L1175 G1176 E1177 K1179 H1191 Q1194 | I1172-E1174 HydrophobicContact CG2-CB 3.73Å; I1172-E1174 HydrophobicContact CG2-CG 4.35Å; I1172-E1174 VanDerWaalsContact CG2-OE2 3.32Å; I1172-E1174 WeakPolarHBondContact CG2-OE2 3.42Å; I1172-E1174 PolarHBondContact O-N 3.48Å; I1172-L1175 HydrophobicContact CB-CB 4.38Å; I1172-L1175 HydrophobicContact CB-CD1 4.35Å; I1172-L1175 HydrophobicContact CD1-CD1 4.29Å; I1172-L1175 HydrophobicContact CG2-CB 3.93Å; I1172-L1175 HydrophobicContact CG2-CD1 3.78Å; I1172-L1175 HydrophobicContact CG2-CG 3.84Å; I1172-L1175 PolarHBondContact O-N 3.42Å; I1172-L1175 VanDerWaalsContact O-N 3.13Å; I1172-G1176 PolarHBondContact O-N 3.34Å; I1172-E1177 PolarHBondContact N-O 2.73Å; I1172-K1179 HydrophobicContact CD1-CB 3.69Å; I1172-K1179 HydrophobicContact CD1-CD 3.68Å; I1172-K1179 HydrophobicContact CD1-CG 3.76Å; I1172-H1191 HydrophobicContact CD1-CB 3.59Å; I1172-H1191 HydrophobicContact CG1-CB 4.3Å; I1172-Q1194 HydrophobicContact CD1-CG 4Å |
| 1173 | A | 71.8 | Confident | 79.4 | Confident | 52 Ų | 52 | 50.8 Ų | 50.8 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1171 L1175 | W1171-A1173 VanDerWaalsContact NE1-CA 3.35Å; A1173-L1175 VanDerWaalsContact C-N 3.3Å; A1173-L1175 PolarHBondContact O-N 2.93Å |
| 1174 | E | 68.3 | Low | 79.7 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 12% | 0.121 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -32.7 | 173.8 | -58.2 | 72.5 | -175.8 | 0 | 0 | 113.3 | I1172 H1191 Q1193 S2594 T2596 | I1172-E1174 HydrophobicContact CG2-CB 3.73Å; I1172-E1174 HydrophobicContact CG2-CG 4.35Å; I1172-E1174 VanDerWaalsContact CG2-OE2 3.32Å; I1172-E1174 WeakPolarHBondContact CG2-OE2 3.42Å; I1172-E1174 PolarHBondContact O-N 3.48Å; E1174-H1191 IonicContact OE1-CE1 2.85Å; E1174-H1191 IonicContact OE2-CE1 2.78Å; E1174-H1191 PolarHBondContact OE2-CE1 2.86Å; E1174-Q1193 PolarHBondContact OE1-NE2 3.24Å; E1174-Q1193 PolarHBondContact OE2-NE2 2.79Å; E1174-S2594 WeakPolarHBondContact OE1-CA 3.33Å; E1174-S2594 WeakPolarHBondContact OE1-CB 3.42Å; E1174-T2596 VanDerWaalsContact CG-O 3.24Å; E1174-T2596 WeakPolarHBondContact CG-O 3.37Å |
| 1175 | L | 65.8 | Low | 80 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -15.2 | -176.4 | -73.2 | 170.9 | 0 | 0 | 0 | 113.6 | I1172 A1173 E1177 K1179 E2597 | I1172-L1175 HydrophobicContact CB-CB 4.38Å; I1172-L1175 HydrophobicContact CB-CD1 4.35Å; I1172-L1175 HydrophobicContact CD1-CD1 4.29Å; I1172-L1175 HydrophobicContact CG2-CB 3.93Å; I1172-L1175 HydrophobicContact CG2-CD1 3.78Å; I1172-L1175 HydrophobicContact CG2-CG 3.84Å; I1172-L1175 PolarHBondContact O-N 3.42Å; I1172-L1175 VanDerWaalsContact O-N 3.13Å; A1173-L1175 VanDerWaalsContact C-N 3.3Å; A1173-L1175 PolarHBondContact O-N 2.93Å; L1175-E1177 HydrophobicContact CB-CG 3.89Å; L1175-E1177 HydrophobicContact CD1-CG 4.29Å; L1175-E1177 PolarHBondContact O-N 3.07Å; L1175-K1179 HydrophobicContact CD1-CD 4.14Å; L1175-E2597 HydrophobicContact CD1-CG 4.37Å; L1175-E2597 WeakPolarHBondContact CD1-OE1 3.11Å; L1175-E2597 HydrophobicContact CD2-CG 3.76Å; L1175-E2597 HydrophobicContact CG-CG 3.91Å |
| 1176 | G | 75.3 | Confident | 80.4 | Confident | 45 Ų | 45 | 47 Ų | 47 | 46% | 0.464 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 22.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113.5 | W1171 I1172 | W1171-G1176 WeakPolarHBondContact CH2-O 3.01Å; W1171-G1176 VanDerWaalsContact CZ3-O 3.29Å; W1171-G1176 WeakPolarHBondContact CZ3-O 3.39Å; I1172-G1176 PolarHBondContact O-N 3.34Å |
| 1177 | E | 75.8 | Confident | 80.9 | Confident | 87 Ų | 87 | 45.3 Ų | 45.3 | 41% | 0.407 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 167.2 | -178.3 | 84.1 | 178.3 | 152.2 | 0 | 0 | 113.9 | I1172 L1175 K1179 | I1172-E1177 PolarHBondContact N-O 2.73Å; L1175-E1177 HydrophobicContact CB-CG 3.89Å; L1175-E1177 HydrophobicContact CD1-CG 4.29Å; L1175-E1177 PolarHBondContact O-N 3.07Å; E1177-K1179 HydrophobicContact CG-CG 4.17Å; E1177-K1179 WeakPolarHBondContact OE1-CE 3.12Å; E1177-K1179 IonicContact OE1-NZ 3.21Å |
| 1178 | C | 82.4 | Confident | 81.3 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123 | 172 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | C1164 M1169 I1170 | C1164-C1178 WeakPolarHBondContact CA-SG 3.44Å; C1164-C1178 HydrophobicContact CB-CB 4.08Å; C1164-C1178 WeakPolarHBondContact CB-SG 3.12Å; C1164-C1178 WeakPolarHBondContact SG-CB 3.36Å; C1164-C1178 CovalentContact SG-SG 2.03Å; C1164-C1178 PolarHBondContact SG-SG 2.63Å; M1169-C1178 HydrophobicContact CB-CB 4.27Å; M1169-C1178 HydrophobicContact CE-CB 3.92Å; M1169-C1178 WeakPolarHBondContact CE-O 3.4Å; I1170-C1178 WeakPolarHBondContact O-CA 3.41Å |
| 1179 | K | 85.8 | Confident | 81.6 | Confident | 40 Ų | 40 | 43 Ų | 43 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 160.4 | 167.4 | -64.9 | -171.9 | 179.9 | 170.4 | 0 | 111 | M1169 I1170 I1172 L1175 E1177 T1190 Q1194 E2597 | M1169-K1179 WeakPolarHBondContact CA-O 3.13Å; M1169-K1179 VanDerWaalsContact CE-C 3.47Å; I1170-K1179 PolarHBondContact N-O 3.2Å; I1170-K1179 PolarHBondContact O-N 3.19Å; I1170-K1179 VanDerWaalsContact O-N 3.08Å; I1172-K1179 HydrophobicContact CD1-CB 3.69Å; I1172-K1179 HydrophobicContact CD1-CD 3.68Å; I1172-K1179 HydrophobicContact CD1-CG 3.76Å; L1175-K1179 HydrophobicContact CD1-CD 4.14Å; E1177-K1179 HydrophobicContact CG-CG 4.17Å; E1177-K1179 WeakPolarHBondContact OE1-CE 3.12Å; E1177-K1179 IonicContact OE1-NZ 3.21Å; K1179-T1190 WeakPolarHBondContact CD-OG1 3.26Å; K1179-T1190 PolarHBondContact NZ-OG1 2.85Å; K1179-Q1194 HydrophobicContact CB-CG 4.14Å; K1179-E2597 IonicContact NZ-OE1 3.34Å |
| 1180 | A | 86.1 | Confident | 81.5 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 41% | 0.413 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 144.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1168 M1169 Q1194 | G1168-A1180 WeakPolarHBondContact O-CA 3.19Å; M1169-A1180 HydrophobicContact SD-CB 4.12Å; A1180-Q1194 WeakPolarHBondContact O-CB 3.25Å; A1180-Q1194 WeakPolarHBondContact O-CG 3.46Å |
| 1181 | V | 87.7 | Confident | 81.6 | Confident | 20 Ų | 20 | 43 Ų | 43 | 12% | 0.121 | 26% | 0.262 | C | S | . | . | trans | -81.9 | 122.6 | 171.4 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | Y1147 G1168 I1170 Q1194 A1197 | Y1147-V1181 VanDerWaalsContact CB-CG1 3.47Å; Y1147-V1181 HydrophobicContact CG-CG1 4.26Å; G1168-V1181 PolarHBondContact O-N 3.46Å; I1170-V1181 HydrophobicContact CB-CG2 3.73Å; I1170-V1181 HydrophobicContact CG2-CG2 3.9Å; V1181-Q1194 WeakPolarHBondContact CG1-O 3.42Å; V1181-A1197 HydrophobicContact CG1-CB 3.84Å; V1181-A1197 HydrophobicContact CG2-CB 3.94Å | ||
| 1182 | V | 90.3 | Very high | 81.7 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | trans | -104.1 | 126.2 | -174.6 | -179.2 | 0 | 0 | 0 | 0 | 108 | A1186 C1189 Q1194 S1198 C1209 | V1182-A1186 HydrophobicContact CG1-CB 3.72Å; V1182-A1186 WeakPolarHBondContact CG1-O 3.03Å; V1182-C1189 HydrophobicContact CB-CB 4.03Å; V1182-C1189 HydrophobicContact CG1-CB 4.2Å; V1182-C1189 HydrophobicContact CG2-CB 3.99Å; V1182-Q1194 HydrophobicContact CG2-CB 4.4Å; V1182-Q1194 PolarHBondContact N-O 3.48Å; V1182-Q1194 VanDerWaalsContact O-O 3.08Å; V1182-S1198 PolarHBondContact O-OG 3.38Å; V1182-C1209 VanDerWaalsContact CB-SG 3.55Å; V1182-C1209 HydrophobicContact CG1-CB 4.34Å; V1182-C1209 VanDerWaalsContact CG1-SG 3.58Å; V1182-C1209 PolarHBondContact O-SG 3.49Å | ||
| 1183 | A | 84.8 | Confident | 81.9 | Confident | 26 Ų | 26 | 47 Ų | 47 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | trans | -74.6 | 153.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1147 G1185 A1186 C1209 | Y1147-A1183 HydrophobicContact CE2-CB 4.37Å; A1183-G1185 PolarHBondContact O-N 2.81Å; A1183-A1186 WeakPolarHBondContact O-CB 3.41Å; A1183-A1186 PolarHBondContact O-N 2.96Å; A1183-C1209 WeakPolarHBondContact O-CB 3.19Å | ||
| 1184 | P | 84.9 | Confident | 82.8 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.045 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 136.2 | 174.4 | -22 | 34.6 | 0 | 0 | 0 | 111.3 | S1198 Y1199 C1209 C1211 A1218 G1221 C1223 | P1184-S1198 WeakPolarHBondContact CD-OG 3.29Å; P1184-Y1199 HydrophobicContact CG-CG 4.49Å; P1184-C1209 WeakPolarHBondContact CA-O 3.1Å; P1184-C1211 VanDerWaalsContact CB-SG 3.56Å; P1184-A1218 HydrophobicContact CB-CB 4.1Å; P1184-G1221 VanDerWaalsContact CD-O 3.31Å; P1184-G1221 WeakPolarHBondContact CD-O 3.49Å; P1184-C1223 WeakPolarHBondContact CB-SG 3.44Å; P1184-C1223 VanDerWaalsContact CG-SG 3.53Å |
| 1185 | G | 81.7 | Confident | 83.8 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -21.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1183 Q1208 C1209 | A1183-G1185 PolarHBondContact O-N 2.81Å; G1185-Q1208 PolarHBondContact O-NE2 2.69Å; G1185-C1209 PolarHBondContact N-O 3.06Å |
| 1186 | A | 83.5 | Confident | 84.7 | Confident | 43 Ų | 43 | 42.8 Ų | 42.8 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | trans | -89.9 | 159.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1182 A1183 Q1208 C1209 | V1182-A1186 HydrophobicContact CG1-CB 3.72Å; V1182-A1186 WeakPolarHBondContact CG1-O 3.03Å; A1183-A1186 WeakPolarHBondContact O-CB 3.41Å; A1183-A1186 PolarHBondContact O-N 2.96Å; A1186-Q1208 WeakPolarHBondContact O-CA 3.21Å; A1186-C1209 PolarHBondContact O-N 2.71Å; A1186-C1209 VanDerWaalsContact O-N 3.11Å | ||
| 1187 | R | 84.1 | Confident | 85.1 | Confident | 153 Ų | 153 | 41.5 Ų | 41.5 | 58% | 0.577 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -133.7 | 158.4 | 175.9 | -60.7 | -173.1 | -176.9 | -175.6 | -1.8 | 110.1 | T1207 Q1208 | R1187-T1207 WeakPolarHBondContact CA-O 3.26Å; R1187-Q1208 HydrophobicContact CG-CB 3.66Å; R1187-Q1208 HydrophobicContact CG-CG 3.7Å; R1187-Q1208 VanDerWaalsContact CZ-OE1 3.31Å |
| 1188 | P | 79.4 | Confident | 85.4 | Confident | 95 Ų | 95 | 38.1 Ų | 38.1 | 62% | 0.617 | 22% | 0.223 | S | C | * | . | cis | -91.8 | 128.1 | -11.1 | 33.9 | -29.3 | 0 | 0 | 0 | 111.7 | T1207 | P1188-T1207 CarbonylContact C-O 3.59Å; P1188-T1207 VanDerWaalsContact CA-O 3.29Å; P1188-T1207 WeakPolarHBondContact CA-O 3.34Å | ||
| 1189 | C | 86.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -90.5 | 151.3 | 157.7 | 63.9 | 0 | 0 | 0 | 0 | 109.8 | V1182 Q1194 C1204 T1207 | V1182-C1189 HydrophobicContact CB-CB 4.03Å; V1182-C1189 HydrophobicContact CG1-CB 4.2Å; V1182-C1189 HydrophobicContact CG2-CB 3.99Å; C1189-Q1194 HydrophobicContact CB-CB 4.23Å; C1189-C1204 HydrophobicContact CB-CB 4.04Å; C1189-C1204 WeakPolarHBondContact CB-SG 3.24Å; C1189-C1204 PolarHBondContact O-SG 3.43Å; C1189-C1204 VanDerWaalsContact O-SG 3.4Å; C1189-C1204 WeakPolarHBondContact SG-CA 2.97Å; C1189-C1204 WeakPolarHBondContact SG-CB 3.36Å; C1189-C1204 CovalentContact SG-SG 2.04Å; C1189-C1204 PolarHBondContact SG-SG 2.78Å; C1189-T1207 PolarHBondContact N-O 3.5Å; C1189-T1207 VanDerWaalsContact O-CA 3.25Å; C1189-T1207 WeakPolarHBondContact O-CA 3.31Å; C1189-T1207 VanDerWaalsContact O-CB 3.28Å; C1189-T1207 WeakPolarHBondContact O-CB 2.87Å; C1189-T1207 PolarHBondContact SG-O 3.1Å; C1189-T1207 VanDerWaalsContact SG-O 3.37Å | ||
| 1190 | T | 84.9 | Confident | 85.2 | Confident | 56 Ų | 56 | 44 Ų | 44 | 34% | 0.344 | 25% | 0.245 | S | C | . | . | trans | -127.8 | 7.2 | 177 | 45.6 | 0 | 0 | 0 | 0 | 113.7 | K1179 Q1194 | K1179-T1190 WeakPolarHBondContact CD-OG1 3.26Å; K1179-T1190 PolarHBondContact NZ-OG1 2.85Å; T1190-Q1194 PolarHBondContact OG1-NE2 3.09Å | ||
| 1191 | H | 87.4 | Confident | 85 | Confident | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -162.4 | 143.1 | 179.6 | -165.4 | -116.8 | 0 | 0 | 0 | 110.1 | I1172 E1174 Q1193 Q1194 D2598 | I1172-H1191 HydrophobicContact CD1-CB 3.59Å; I1172-H1191 HydrophobicContact CG1-CB 4.3Å; E1174-H1191 IonicContact OE1-CE1 2.85Å; E1174-H1191 IonicContact OE2-CE1 2.78Å; E1174-H1191 PolarHBondContact OE2-CE1 2.86Å; H1191-Q1193 PolarHBondContact O-N 2.88Å; H1191-Q1193 VanDerWaalsContact O-N 3.14Å; H1191-Q1194 HydrophobicContact CB-CG 4.35Å; H1191-Q1194 VanDerWaalsContact N-NE2 3.11Å; H1191-Q1194 WeakPolarHBondContact O-CB 3.28Å; H1191-Q1194 PolarHBondContact O-N 3.37Å; H1191-D2598 IonicContact CD2-OD2 2.73Å; H1191-D2598 PolarHBondContact CD2-OD2 3.2Å; H1191-D2598 IonicContact CG-OD2 3.74Å; H1191-D2598 IonicContact NE2-OD2 2.73Å |
| 1192 | R | 86.6 | Confident | 84.8 | Confident | 90 Ų | 90 | 45 Ų | 45 | 34% | 0.34 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -37.6 | -178.3 | -179.7 | 173.3 | -173.6 | -104.7 | -6.7 | 113.2 | Q1194 C1195 T1196 V1203 D2598 | R1192-Q1194 PolarHBondContact O-N 3.01Å; R1192-C1195 PolarHBondContact O-N 2.78Å; R1192-T1196 HydrophobicContact CG-CG2 4.06Å; R1192-T1196 PolarHBondContact O-N 3.31Å; R1192-V1203 HydrophobicContact CG-CG1 4.06Å; R1192-D2598 WeakPolarHBondContact CB-OD2 3.38Å; R1192-D2598 PolarHBondContact N-OD2 2.84Å |
| 1193 | Q | 85.5 | Confident | 84.7 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -25.7 | 179.8 | -64.6 | -180 | 15.4 | 0 | 0 | 113.7 | I1170 W1171 E1174 H1191 C1195 T1196 A1197 | I1170-Q1193 HydrophobicContact CG1-CB 4.45Å; W1171-Q1193 PolarHBondContact O-OE1 2.97Å; E1174-Q1193 PolarHBondContact OE1-NE2 3.24Å; E1174-Q1193 PolarHBondContact OE2-NE2 2.79Å; H1191-Q1193 PolarHBondContact O-N 2.88Å; H1191-Q1193 VanDerWaalsContact O-N 3.14Å; Q1193-C1195 PolarHBondContact O-N 2.77Å; Q1193-T1196 WeakPolarHBondContact CA-OG1 3.45Å; Q1193-A1197 VanDerWaalsContact O-CB 3.22Å; Q1193-A1197 WeakPolarHBondContact O-CB 3.34Å; Q1193-A1197 PolarHBondContact O-N 2.79Å; Q1193-A1197 VanDerWaalsContact O-N 3.15Å |
| 1194 | Q | 90.6 | Very high | 84.9 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -23.4 | 174.5 | -61.4 | 170.1 | 40.3 | 0 | 0 | 111.9 | I1170 I1172 K1179 A1180 V1181 V1182 C1189 T1190 H1191 R1192 | I1170-Q1194 HydrophobicContact CG2-CG 4.19Å; I1172-Q1194 HydrophobicContact CD1-CG 4Å; K1179-Q1194 HydrophobicContact CB-CG 4.14Å; A1180-Q1194 WeakPolarHBondContact O-CB 3.25Å; A1180-Q1194 WeakPolarHBondContact O-CG 3.46Å; V1181-Q1194 WeakPolarHBondContact CG1-O 3.42Å; V1182-Q1194 HydrophobicContact CG2-CB 4.4Å; V1182-Q1194 PolarHBondContact N-O 3.48Å; V1182-Q1194 VanDerWaalsContact O-O 3.08Å; C1189-Q1194 HydrophobicContact CB-CB 4.23Å; T1190-Q1194 PolarHBondContact OG1-NE2 3.09Å; H1191-Q1194 HydrophobicContact CB-CG 4.35Å; H1191-Q1194 VanDerWaalsContact N-NE2 3.11Å; H1191-Q1194 WeakPolarHBondContact O-CB 3.28Å; H1191-Q1194 PolarHBondContact O-N 3.37Å; R1192-Q1194 PolarHBondContact O-N 3.01Å |
| 1195 | C | 90.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -94.1 | -48.4 | 174.8 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | R1192 Q1193 A1197 S1198 Y1199 S1202 C1204 C1209 | R1192-C1195 PolarHBondContact O-N 2.78Å; Q1193-C1195 PolarHBondContact O-N 2.77Å; C1195-A1197 PolarHBondContact O-N 2.98Å; C1195-A1197 VanDerWaalsContact O-N 3.08Å; C1195-S1198 PolarHBondContact O-N 2.93Å; C1195-S1198 PolarHBondContact O-OG 3.01Å; C1195-Y1199 PolarHBondContact O-N 2.74Å; C1195-S1202 WeakPolarHBondContact CB-OG 3.19Å; C1195-S1202 PolarHBondContact O-OG 3.33Å; C1195-C1204 WeakPolarHBondContact SG-CA 3.27Å; C1195-C1204 VanDerWaalsContact SG-CB 3.55Å; C1195-C1204 PolarHBondContact SG-N 2.05Å; C1195-C1204 VanDerWaalsContact SG-N 3.39Å; C1195-C1209 WeakPolarHBondContact CA-SG 3.21Å; C1195-C1209 HydrophobicContact CB-CB 3.73Å; C1195-C1209 WeakPolarHBondContact CB-SG 3.32Å; C1195-C1209 WeakPolarHBondContact SG-CA 3.17Å; C1195-C1209 WeakPolarHBondContact SG-CB 3.3Å; C1195-C1209 CovalentContact SG-SG 2.03Å; C1195-C1209 PolarHBondContact SG-SG 2.96Å |
| 1196 | T | 85.4 | Confident | 84.6 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 29% | 0.288 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -22.2 | -177.8 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | R1192 Q1193 S1198 Y1199 S1202 | R1192-T1196 HydrophobicContact CG-CG2 4.06Å; R1192-T1196 PolarHBondContact O-N 3.31Å; Q1193-T1196 WeakPolarHBondContact CA-OG1 3.45Å; T1196-S1198 VanDerWaalsContact C-N 3.28Å; T1196-S1198 PolarHBondContact O-N 3.12Å; T1196-Y1199 WeakPolarHBondContact CA-O 3.42Å; T1196-S1202 WeakPolarHBondContact CG2-O 3.22Å |
| 1197 | A | 83.6 | Confident | 84.5 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -11.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1170 V1181 Q1193 C1195 | I1170-A1197 HydrophobicContact CB-CB 4.01Å; I1170-A1197 HydrophobicContact CD1-CB 4.12Å; I1170-A1197 HydrophobicContact CG1-CB 3.95Å; I1170-A1197 HydrophobicContact CG2-CB 4.41Å; V1181-A1197 HydrophobicContact CG1-CB 3.84Å; V1181-A1197 HydrophobicContact CG2-CB 3.94Å; Q1193-A1197 VanDerWaalsContact O-CB 3.22Å; Q1193-A1197 WeakPolarHBondContact O-CB 3.34Å; Q1193-A1197 PolarHBondContact O-N 2.79Å; Q1193-A1197 VanDerWaalsContact O-N 3.15Å; C1195-A1197 PolarHBondContact O-N 2.98Å; C1195-A1197 VanDerWaalsContact O-N 3.08Å |
| 1198 | S | 81.9 | Confident | 84.5 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -56.5 | 172.6 | 63.4 | 0 | 0 | 0 | 0 | 112.7 | Y1147 V1182 P1184 C1195 T1196 | Y1147-S1198 VanDerWaalsContact CD1-CA 3.43Å; Y1147-S1198 WeakPolarHBondContact CE1-O 3.43Å; V1182-S1198 PolarHBondContact O-OG 3.38Å; P1184-S1198 WeakPolarHBondContact CD-OG 3.29Å; C1195-S1198 PolarHBondContact O-N 2.93Å; C1195-S1198 PolarHBondContact O-OG 3.01Å; T1196-S1198 VanDerWaalsContact C-N 3.28Å; T1196-S1198 PolarHBondContact O-N 3.12Å |
| 1199 | Y | 83.1 | Confident | 85 | Confident | 53 Ų | 53 | 41.4 Ų | 41.4 | 21% | 0.208 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -127.6 | 129.2 | 175.3 | -167.7 | -87.7 | 0 | 0 | 0 | 110.2 | P1184 C1195 T1196 D1201 S1202 P1212 T1215 T1222 C1223 | P1184-Y1199 HydrophobicContact CG-CG 4.49Å; C1195-Y1199 PolarHBondContact O-N 2.74Å; T1196-Y1199 WeakPolarHBondContact CA-O 3.42Å; Y1199-D1201 PolarHBondContact O-N 3.45Å; Y1199-S1202 WeakPolarHBondContact O-CB 3.04Å; Y1199-S1202 PolarHBondContact O-N 2.79Å; Y1199-S1202 VanDerWaalsContact O-N 3.15Å; Y1199-S1202 PolarHBondContact O-OG 3.39Å; Y1199-P1212 HydrophobicContact CD1-CG 4.42Å; Y1199-P1212 HydrophobicContact CE1-CG 3.92Å; Y1199-T1215 PolarHBondContact OH-OG1 2.05Å; Y1199-T1222 WeakPolarHBondContact CD2-OG1 3.48Å; Y1199-T1222 VanDerWaalsContact CE2-OG1 3.29Å; Y1199-T1222 WeakPolarHBondContact CE2-OG1 3.28Å; Y1199-C1223 HydrophobicContact CD1-CB 3.83Å; Y1199-C1223 HydrophobicContact CD2-CB 4.07Å; Y1199-C1223 HydrophobicContact CE1-CB 3.59Å; Y1199-C1223 HydrophobicContact CE2-CB 3.8Å; Y1199-C1223 HydrophobicContact CG-CB 4.07Å; Y1199-C1223 PolarHBondContact OH-O 3Å |
| 1200 | Q | 79.5 | Confident | 85.2 | Confident | 149 Ų | 149 | 43.5 Ų | 43.5 | 70% | 0.696 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 135.8 | -178.8 | -162.3 | -178.6 | -51.7 | 0 | 0 | 110.1 | S1202 | Q1200-S1202 PolarHBondContact O-N 3.05Å; Q1200-S1202 VanDerWaalsContact O-N 3.1Å |
| 1201 | D | 81.9 | Confident | 85.4 | Confident | 91 Ų | 91 | 41.9 Ų | 41.9 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 4 | -178.6 | -50.3 | -50.7 | 0 | 0 | 0 | 116.6 | Y1199 P1212 | Y1199-D1201 PolarHBondContact O-N 3.45Å; D1201-P1212 HydrophobicContact CB-CB 4.5Å |
| 1202 | S | 84.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -69.8 | 151.5 | 164.7 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | C1195 T1196 Y1199 Q1200 T1210 | C1195-S1202 WeakPolarHBondContact CB-OG 3.19Å; C1195-S1202 PolarHBondContact O-OG 3.33Å; T1196-S1202 WeakPolarHBondContact CG2-O 3.22Å; Y1199-S1202 WeakPolarHBondContact O-CB 3.04Å; Y1199-S1202 PolarHBondContact O-N 2.79Å; Y1199-S1202 VanDerWaalsContact O-N 3.15Å; Y1199-S1202 PolarHBondContact O-OG 3.39Å; Q1200-S1202 PolarHBondContact O-N 3.05Å; Q1200-S1202 VanDerWaalsContact O-N 3.1Å; S1202-T1210 VanDerWaalsContact CA-O 3.31Å; S1202-T1210 WeakPolarHBondContact CA-O 3.04Å; S1202-T1210 VanDerWaalsContact CB-O 3.28Å; S1202-T1210 WeakPolarHBondContact CB-O 3.24Å | ||
| 1203 | V | 88.3 | Confident | 84.8 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 142.3 | -167.2 | -98 | 0 | 0 | 0 | 0 | 112.3 | R1192 C1209 T1210 | R1192-V1203 HydrophobicContact CG-CG1 4.06Å; V1203-C1209 WeakPolarHBondContact O-CA 3.39Å; V1203-T1210 PolarHBondContact N-O 3.13Å; V1203-T1210 PolarHBondContact O-N 3.24Å; V1203-T1210 PolarHBondContact O-OG1 3.47Å |
| 1204 | C | 89.1 | Confident | 84.4 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 120.3 | 175 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | C1189 C1195 S2588 W2600 | C1189-C1204 HydrophobicContact CB-CB 4.04Å; C1189-C1204 WeakPolarHBondContact CB-SG 3.24Å; C1189-C1204 PolarHBondContact O-SG 3.43Å; C1189-C1204 VanDerWaalsContact O-SG 3.4Å; C1189-C1204 WeakPolarHBondContact SG-CA 2.97Å; C1189-C1204 WeakPolarHBondContact SG-CB 3.36Å; C1189-C1204 CovalentContact SG-SG 2.04Å; C1189-C1204 PolarHBondContact SG-SG 2.78Å; C1195-C1204 WeakPolarHBondContact SG-CA 3.27Å; C1195-C1204 VanDerWaalsContact SG-CB 3.55Å; C1195-C1204 PolarHBondContact SG-N 2.05Å; C1195-C1204 VanDerWaalsContact SG-N 3.39Å; C1204-S2588 WeakPolarHBondContact O-CB 3.41Å; C1204-S2588 PolarHBondContact O-OG 3.31Å; C1204-W2600 HydrophobicContact CB-CH2 4Å |
| 1205 | F | 82 | Confident | 84 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 125.4 | -172.9 | -178.4 | -94.3 | 0 | 0 | 0 | 108.9 | T1207 Q1208 T1210 T2586 | F1205-T1207 PolarHBondContact O-N 3.49Å; F1205-Q1208 PolarHBondContact N-O 3.37Å; F1205-Q1208 WeakPolarHBondContact O-CA 3.38Å; F1205-Q1208 WeakPolarHBondContact O-CB 2.86Å; F1205-Q1208 PolarHBondContact O-N 3.4Å; F1205-T1210 HydrophobicContact CB-CG2 3.97Å; F1205-T1210 HydrophobicContact CD1-CG2 4.29Å; F1205-T2586 WeakPolarHBondContact CE2-O 3.49Å; F1205-T2586 VanDerWaalsContact CZ-O 3.29Å; F1205-T2586 WeakPolarHBondContact CZ-O 3.44Å |
| 1206 | M | 76.8 | Confident | 83.5 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 39.7 | -170.4 | -57.3 | 169.5 | 156.7 | 0 | 0 | 113.9 | Q1208 P2584 K2585 | M1206-Q1208 PolarHBondContact O-N 3.29Å; M1206-Q1208 VanDerWaalsContact O-N 3.11Å; M1206-P2584 WeakPolarHBondContact CE-O 3.2Å; M1206-K2585 HydrophobicContact CE-CB 4.36Å |
| 1207 | T | 81.5 | Confident | 83.2 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 14.3 | -169.7 | 74.1 | 0 | 0 | 0 | 0 | 115.5 | R1187 P1188 C1189 F1205 | R1187-T1207 WeakPolarHBondContact CA-O 3.26Å; P1188-T1207 CarbonylContact C-O 3.59Å; P1188-T1207 VanDerWaalsContact CA-O 3.29Å; P1188-T1207 WeakPolarHBondContact CA-O 3.34Å; C1189-T1207 PolarHBondContact N-O 3.5Å; C1189-T1207 VanDerWaalsContact O-CA 3.25Å; C1189-T1207 WeakPolarHBondContact O-CA 3.31Å; C1189-T1207 VanDerWaalsContact O-CB 3.28Å; C1189-T1207 WeakPolarHBondContact O-CB 2.87Å; C1189-T1207 PolarHBondContact SG-O 3.1Å; C1189-T1207 VanDerWaalsContact SG-O 3.37Å; F1205-T1207 PolarHBondContact O-N 3.49Å |
| 1208 | Q | 85.3 | Confident | 83.1 | Confident | 56 Ų | 56 | 57.7 Ų | 57.7 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.5 | 177.2 | -163.3 | 165.5 | 5.7 | 0 | 0 | 110.3 | G1185 A1186 R1187 F1205 M1206 T1210 | G1185-Q1208 PolarHBondContact O-NE2 2.69Å; A1186-Q1208 WeakPolarHBondContact O-CA 3.21Å; R1187-Q1208 HydrophobicContact CG-CB 3.66Å; R1187-Q1208 HydrophobicContact CG-CG 3.7Å; R1187-Q1208 VanDerWaalsContact CZ-OE1 3.31Å; F1205-Q1208 PolarHBondContact N-O 3.37Å; F1205-Q1208 WeakPolarHBondContact O-CA 3.38Å; F1205-Q1208 WeakPolarHBondContact O-CB 2.86Å; F1205-Q1208 PolarHBondContact O-N 3.4Å; M1206-Q1208 PolarHBondContact O-N 3.29Å; M1206-Q1208 VanDerWaalsContact O-N 3.11Å; Q1208-T1210 PolarHBondContact O-N 3.33Å |
| 1209 | C | 90.2 | Very high | 82.8 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 119.3 | 170.6 | -69.9 | 0 | 0 | 0 | 0 | 109.7 | V1182 A1183 P1184 G1185 A1186 C1195 V1203 | V1182-C1209 VanDerWaalsContact CB-SG 3.55Å; V1182-C1209 HydrophobicContact CG1-CB 4.34Å; V1182-C1209 VanDerWaalsContact CG1-SG 3.58Å; V1182-C1209 PolarHBondContact O-SG 3.49Å; A1183-C1209 WeakPolarHBondContact O-CB 3.19Å; P1184-C1209 WeakPolarHBondContact CA-O 3.1Å; G1185-C1209 PolarHBondContact N-O 3.06Å; A1186-C1209 PolarHBondContact O-N 2.71Å; A1186-C1209 VanDerWaalsContact O-N 3.11Å; C1195-C1209 WeakPolarHBondContact CA-SG 3.21Å; C1195-C1209 HydrophobicContact CB-CB 3.73Å; C1195-C1209 WeakPolarHBondContact CB-SG 3.32Å; C1195-C1209 WeakPolarHBondContact SG-CA 3.17Å; C1195-C1209 WeakPolarHBondContact SG-CB 3.3Å; C1195-C1209 CovalentContact SG-SG 2.03Å; C1195-C1209 PolarHBondContact SG-SG 2.96Å; V1203-C1209 WeakPolarHBondContact O-CA 3.39Å |
| 1210 | T | 89.8 | Confident | 82 | Confident | 45 Ų | 45 | 60.3 Ų | 60.3 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 146.9 | -179.7 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | S1202 V1203 F1205 Q1208 | S1202-T1210 VanDerWaalsContact CA-O 3.31Å; S1202-T1210 WeakPolarHBondContact CA-O 3.04Å; S1202-T1210 VanDerWaalsContact CB-O 3.28Å; S1202-T1210 WeakPolarHBondContact CB-O 3.24Å; V1203-T1210 PolarHBondContact N-O 3.13Å; V1203-T1210 PolarHBondContact O-N 3.24Å; V1203-T1210 PolarHBondContact O-OG1 3.47Å; F1205-T1210 HydrophobicContact CB-CG2 3.97Å; F1205-T1210 HydrophobicContact CD1-CG2 4.29Å; Q1208-T1210 PolarHBondContact O-N 3.33Å |
| 1211 | C | 88.5 | Confident | 81.5 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | trans | -82.5 | 153.4 | -177.4 | -72.2 | 0 | 0 | 0 | 0 | 113.1 | P1184 T1215 C1223 | P1184-C1211 VanDerWaalsContact CB-SG 3.56Å; C1211-T1215 WeakPolarHBondContact CB-O 3.27Å; C1211-C1223 WeakPolarHBondContact CA-SG 3.31Å; C1211-C1223 HydrophobicContact CB-CB 3.65Å; C1211-C1223 WeakPolarHBondContact CB-SG 3.23Å; C1211-C1223 VanDerWaalsContact SG-CA 3.51Å; C1211-C1223 WeakPolarHBondContact SG-CB 3.41Å; C1211-C1223 CovalentContact SG-SG 2.03Å; C1211-C1223 PolarHBondContact SG-SG 2.69Å | ||
| 1212 | P | 86.5 | Confident | 81.6 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | trans | -68.4 | 157.6 | 175.3 | 29.6 | -34.2 | 0 | 0 | 0 | 111.7 | Y1199 D1201 E1214 T1215 | Y1199-P1212 HydrophobicContact CD1-CG 4.42Å; Y1199-P1212 HydrophobicContact CE1-CG 3.92Å; D1201-P1212 HydrophobicContact CB-CB 4.5Å; P1212-E1214 PolarHBondContact O-N 3.24Å; P1212-E1214 VanDerWaalsContact O-N 3.09Å; P1212-T1215 CarbonylContact O-C 3.52Å; P1212-T1215 PolarHBondContact O-N 3.21Å; P1212-T1215 VanDerWaalsContact O-N 3.1Å | ||
| 1213 | P | 76 | Confident | 81.6 | Confident | 125 Ų | 125 | 50.2 Ų | 50.2 | 81% | 0.812 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.9 | -169.7 | -26.2 | 36 | 0 | 0 | 0 | 116.2 | ||
| 1214 | E | 77.8 | Confident | 81.3 | Confident | 177 Ų | 177 | 47.8 Ų | 47.8 | 83% | 0.827 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -27.3 | 178.9 | -61.5 | -173.7 | -174.5 | 0 | 0 | 113 | P1212 P1216 | P1212-E1214 PolarHBondContact O-N 3.24Å; P1212-E1214 VanDerWaalsContact O-N 3.09Å; E1214-P1216 VanDerWaalsContact C-CD 3.46Å |
| 1215 | T | 81.1 | Confident | 81.1 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 14% | 0.135 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -128 | 58 | 178.8 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | Y1199 C1211 P1212 I1217 C1223 G1224 I1225 | Y1199-T1215 PolarHBondContact OH-OG1 2.05Å; C1211-T1215 WeakPolarHBondContact CB-O 3.27Å; P1212-T1215 CarbonylContact O-C 3.52Å; P1212-T1215 PolarHBondContact O-N 3.21Å; P1212-T1215 VanDerWaalsContact O-N 3.1Å; T1215-I1217 PolarHBondContact O-N 3.46Å; T1215-C1223 WeakPolarHBondContact O-CB 3.33Å; T1215-C1223 WeakPolarHBondContact OG1-CB 3.4Å; T1215-G1224 CarbonylContact C-O 3.54Å; T1215-G1224 VanDerWaalsContact CA-O 3.31Å; T1215-G1224 WeakPolarHBondContact CA-O 3.23Å; T1215-I1225 HydrophobicContact CG2-CG2 4.11Å |
| 1216 | P | 80.4 | Confident | 81 | Confident | 77 Ų | 77 | 52 Ų | 52 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | trans | -71 | -7.2 | -160.7 | 30.5 | -37.7 | 0 | 0 | 0 | 115.2 | E1214 | E1214-P1216 VanDerWaalsContact C-CD 3.46Š| ||
| 1217 | I | 79.2 | Confident | 81.3 | Confident | 72 Ų | 72 | 50.9 Ų | 50.9 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 115.1 | -179 | -55.6 | -170 | 0 | 0 | 0 | 110.1 | T1215 V1219 G1224 | T1215-I1217 PolarHBondContact O-N 3.46Å; I1217-V1219 PolarHBondContact O-N 2.84Å; I1217-G1224 PolarHBondContact N-O 3.17Å; I1217-G1224 PolarHBondContact O-N 3.05Å |
| 1218 | A | 81.1 | Confident | 81.2 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 122.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1184 T1222 | P1184-A1218 HydrophobicContact CB-CB 4.1Å; A1218-T1222 WeakPolarHBondContact CA-O 3.36Å |
| 1219 | V | 75.4 | Confident | 80.7 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 144.1 | -178.9 | 66.2 | 0 | 0 | 0 | 0 | 109.8 | I1217 G1221 T1222 Y1233 | I1217-V1219 PolarHBondContact O-N 2.84Å; V1219-G1221 PolarHBondContact O-N 2.71Å; V1219-T1222 PolarHBondContact N-O 2.7Å; V1219-T1222 CarbonylContact O-C 3.5Å; V1219-T1222 WeakPolarHBondContact O-CG2 3.34Å; V1219-T1222 PolarHBondContact O-N 3.27Å; V1219-Y1233 HydrophobicContact CG1-CD1 3.64Å; V1219-Y1233 HydrophobicContact CG1-CE1 4.49Å; V1219-Y1233 HydrophobicContact CG1-CG 4.32Å |
| 1220 | D | 66.4 | Low | 80.2 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 25.2 | -178.9 | -57.4 | -19.7 | 0 | 0 | 0 | 114.7 | T1222 G1235 S1254 | D1220-T1222 VanDerWaalsContact C-N 3.32Å; D1220-G1235 PolarHBondContact OD2-N 2.92Å; D1220-S1254 PolarHBondContact OD2-OG 3.47Å |
| 1221 | G | 70 | Confident | 80.1 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 25% | 0.247 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 19.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1147 P1184 V1219 | Y1147-G1221 PolarHBondContact OH-O 2.75Å; P1184-G1221 VanDerWaalsContact CD-O 3.31Å; P1184-G1221 WeakPolarHBondContact CD-O 3.49Å; V1219-G1221 PolarHBondContact O-N 2.71Å |
| 1222 | T | 82.5 | Confident | 79.8 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 3% | 0.025 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | -178.9 | 175.9 | -171.9 | 0 | 0 | 0 | 0 | 110.3 | I1139 Y1199 A1218 V1219 D1220 | I1139-T1222 HydrophobicContact CD1-CG2 4.46Å; Y1199-T1222 WeakPolarHBondContact CD2-OG1 3.48Å; Y1199-T1222 VanDerWaalsContact CE2-OG1 3.29Å; Y1199-T1222 WeakPolarHBondContact CE2-OG1 3.28Å; A1218-T1222 WeakPolarHBondContact CA-O 3.36Å; V1219-T1222 PolarHBondContact N-O 2.7Å; V1219-T1222 CarbonylContact O-C 3.5Å; V1219-T1222 WeakPolarHBondContact O-CG2 3.34Å; V1219-T1222 PolarHBondContact O-N 3.27Å; D1220-T1222 VanDerWaalsContact C-N 3.32Å |
| 1223 | C | 85.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133 | 178.2 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | P1184 Y1199 C1211 T1215 | P1184-C1223 WeakPolarHBondContact CB-SG 3.44Å; P1184-C1223 VanDerWaalsContact CG-SG 3.53Å; Y1199-C1223 HydrophobicContact CD1-CB 3.83Å; Y1199-C1223 HydrophobicContact CD2-CB 4.07Å; Y1199-C1223 HydrophobicContact CE1-CB 3.59Å; Y1199-C1223 HydrophobicContact CE2-CB 3.8Å; Y1199-C1223 HydrophobicContact CG-CB 4.07Å; Y1199-C1223 PolarHBondContact OH-O 3Å; C1211-C1223 WeakPolarHBondContact CA-SG 3.31Å; C1211-C1223 HydrophobicContact CB-CB 3.65Å; C1211-C1223 WeakPolarHBondContact CB-SG 3.23Å; C1211-C1223 VanDerWaalsContact SG-CA 3.51Å; C1211-C1223 WeakPolarHBondContact SG-CB 3.41Å; C1211-C1223 CovalentContact SG-SG 2.03Å; C1211-C1223 PolarHBondContact SG-SG 2.69Å; T1215-C1223 WeakPolarHBondContact O-CB 3.33Å; T1215-C1223 WeakPolarHBondContact OG1-CB 3.4Å |
| 1224 | G | 83.1 | Confident | 80 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 171 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1215 I1217 | T1215-G1224 CarbonylContact C-O 3.54Å; T1215-G1224 VanDerWaalsContact CA-O 3.31Å; T1215-G1224 WeakPolarHBondContact CA-O 3.23Å; I1217-G1224 PolarHBondContact N-O 3.17Å; I1217-G1224 PolarHBondContact O-N 3.05Å |
| 1225 | I | 83.4 | Confident | 80 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 40% | 0.395 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 157.9 | -179 | 64.4 | 172.4 | 0 | 0 | 0 | 112.2 | T1215 C1227 Y1233 | T1215-I1225 HydrophobicContact CG2-CG2 4.11Å; I1225-C1227 PolarHBondContact O-N 2.74Å; I1225-Y1233 HydrophobicContact CG1-CD2 3.84Å; I1225-Y1233 HydrophobicContact CG1-CE2 3.96Å |
| 1226 | S | 80.6 | Confident | 80 | Confident | 91 Ų | 91 | 46.8 Ų | 46.8 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 121 | 167.6 | -170 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1227 | C | 82.9 | Confident | 79.9 | Confident | 25 Ų | 25 | 44 Ų | 44 | 17% | 0.169 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -91 | 150.8 | 178.1 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | I1225 R1231 Y1233 C1240 | I1225-C1227 PolarHBondContact O-N 2.74Å; C1227-R1231 HydrophobicContact CB-CB 4.04Å; C1227-R1231 WeakPolarHBondContact CB-O 3.48Å; C1227-Y1233 PolarHBondContact SG-N 2.03Å; C1227-Y1233 VanDerWaalsContact SG-N 3.43Å; C1227-C1240 WeakPolarHBondContact CA-SG 3.43Å; C1227-C1240 HydrophobicContact CB-CB 3.87Å; C1227-C1240 WeakPolarHBondContact CB-SG 3.05Å; C1227-C1240 WeakPolarHBondContact SG-CB 3.47Å; C1227-C1240 CovalentContact SG-SG 2.04Å; C1227-C1240 PolarHBondContact SG-SG 3.49Å |
| 1228 | P | 80.2 | Confident | 79.9 | Confident | 81 Ų | 81 | 43.9 Ų | 43.9 | 53% | 0.526 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 153.8 | 171.9 | -23.3 | 34 | 0 | 0 | 0 | 112.5 | G1230 R1231 | P1228-G1230 PolarHBondContact O-N 3.18Å; P1228-R1231 WeakPolarHBondContact O-CA 3.49Å; P1228-R1231 WeakPolarHBondContact O-CB 3.12Å; P1228-R1231 PolarHBondContact O-N 3.19Å |
| 1229 | V | 75.1 | Confident | 80.1 | Confident | 158 Ų | 158 | 49 Ų | 49 | 96% | 0.958 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 130.4 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1230 | G | 78.7 | Confident | 80.5 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 1.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1228 A1243 | P1228-G1230 PolarHBondContact O-N 3.18Å; G1230-A1243 PolarHBondContact O-N 2.74Å |
| 1231 | R | 87 | Confident | 81.4 | Confident | 100 Ų | 100 | 43.9 Ų | 43.9 | 38% | 0.377 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 155.9 | 173.9 | -61.5 | -176.3 | 77.7 | 151.9 | -2.3 | 111 | C1227 P1228 C1240 V1241 | C1227-R1231 HydrophobicContact CB-CB 4.04Å; C1227-R1231 WeakPolarHBondContact CB-O 3.48Å; P1228-R1231 WeakPolarHBondContact O-CA 3.49Å; P1228-R1231 WeakPolarHBondContact O-CB 3.12Å; P1228-R1231 PolarHBondContact O-N 3.19Å; R1231-C1240 HydrophobicContact CB-CB 4.39Å; R1231-C1240 PolarHBondContact NH2-O 3.29Å; R1231-V1241 CarbonylContact C-O 3.51Å; R1231-V1241 WeakPolarHBondContact CA-O 3.47Å; R1231-V1241 WeakPolarHBondContact CB-O 3.38Å |
| 1232 | T | 82.5 | Confident | 82.2 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 13% | 0.129 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 156.1 | -178.7 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | C1240 V1241 A1243 S1254 A1258 | T1232-C1240 CarbonylContact O-C 3.56Å; T1232-C1240 VanDerWaalsContact O-CA 3.29Å; T1232-C1240 WeakPolarHBondContact O-CA 3.26Å; T1232-V1241 HydrophobicContact CG2-CG2 3.95Å; T1232-V1241 PolarHBondContact N-O 2.8Å; T1232-V1241 WeakPolarHBondContact O-CG2 3.44Å; T1232-V1241 PolarHBondContact O-N 2.83Å; T1232-A1243 HydrophobicContact CG2-CB 4.29Å; T1232-S1254 WeakPolarHBondContact CG2-O 3.47Å; T1232-A1258 HydrophobicContact CG2-CB 3.68Å; T1232-A1258 WeakPolarHBondContact OG1-CB 3.38Å |
| 1233 | Y | 85.6 | Confident | 82.3 | Confident | 13 Ų | 13 | 50 Ų | 50 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 137.8 | -177.1 | -169.4 | -90.7 | 0 | 0 | 0 | 110.8 | V1219 I1225 C1227 N1238 | V1219-Y1233 HydrophobicContact CG1-CD1 3.64Å; V1219-Y1233 HydrophobicContact CG1-CE1 4.49Å; V1219-Y1233 HydrophobicContact CG1-CG 4.32Å; I1225-Y1233 HydrophobicContact CG1-CD2 3.84Å; I1225-Y1233 HydrophobicContact CG1-CE2 3.96Å; C1227-Y1233 PolarHBondContact SG-N 2.03Å; C1227-Y1233 VanDerWaalsContact SG-N 3.43Å; Y1233-N1238 PolarHBondContact OH-OD1 3.41Å |
| 1234 | S | 81.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.5 | 172.8 | 170.2 | 0 | 0 | 0 | 0 | 109.8 | V1236 L1237 N1238 R1239 | S1234-V1236 PolarHBondContact O-N 2.92Å; S1234-V1236 PolarHBondContact OG-N 3.03Å; S1234-L1237 PolarHBondContact O-N 2.68Å; S1234-L1237 PolarHBondContact OG-N 2.93Å; S1234-N1238 WeakPolarHBondContact O-CA 3.28Å; S1234-N1238 PolarHBondContact O-N 3.09Å; S1234-R1239 PolarHBondContact N-O 2.94Å; S1234-R1239 VanDerWaalsContact N-O 3.12Å |
| 1235 | G | 76.3 | Confident | 82.4 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -29.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1140 D1220 | N1140-G1235 PolarHBondContact N-O 3.06Å; N1140-G1235 VanDerWaalsContact N-O 3.14Å; D1220-G1235 PolarHBondContact OD2-N 2.92Å |
| 1236 | V | 81.7 | Confident | 82.4 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -45.7 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | Q1124 N1140 M1141 S1234 Y1252 | Q1124-V1236 VanDerWaalsContact O-CG1 3.24Å; Q1124-V1236 WeakPolarHBondContact O-CG1 3.29Å; N1140-V1236 CarbonylContact C-O 3.37Å; N1140-V1236 VanDerWaalsContact CA-O 3.31Å; N1140-V1236 WeakPolarHBondContact CA-O 3.42Å; N1140-V1236 PolarHBondContact N-O 2.8Å; N1140-V1236 VanDerWaalsContact N-O 3.13Å; M1141-V1236 PolarHBondContact N-O 3.11Å; S1234-V1236 PolarHBondContact O-N 2.92Å; S1234-V1236 PolarHBondContact OG-N 3.03Å; V1236-Y1252 HydrophobicContact CB-CE1 4.29Å; V1236-Y1252 HydrophobicContact CG1-CE1 3.89Å |
| 1237 | L | 79.6 | Confident | 82.4 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -5.6 | -177 | -67.9 | 176.2 | 0 | 0 | 0 | 114.6 | M1141 S1234 R1239 V1241 Y1252 | M1141-L1237 HydrophobicContact CG-CD2 4.01Å; M1141-L1237 HydrophobicContact SD-CD2 3.98Å; S1234-L1237 PolarHBondContact O-N 2.68Å; S1234-L1237 PolarHBondContact OG-N 2.93Å; L1237-R1239 HydrophobicContact CB-CG 3.89Å; L1237-R1239 PolarHBondContact O-N 3.16Å; L1237-V1241 HydrophobicContact CD1-CG1 3.75Å; L1237-Y1252 HydrophobicContact CD1-CD2 4.16Å; L1237-Y1252 HydrophobicContact CD1-CE2 3.44Å; L1237-Y1252 VanDerWaalsContact CD1-CE2 3.44Å; L1237-Y1252 HydrophobicContact CG-CE2 3.95Å |
| 1238 | N | 79.3 | Confident | 82.5 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 35.4 | -178.6 | -158.4 | 86.9 | 0 | 0 | 0 | 113.8 | N1140 Y1233 S1234 | N1140-N1238 HydrophobicContact CB-CB 3.99Å; N1140-N1238 WeakPolarHBondContact OD1-CB 3.47Å; Y1233-N1238 PolarHBondContact OH-OD1 3.41Å; S1234-N1238 WeakPolarHBondContact O-CA 3.28Å; S1234-N1238 PolarHBondContact O-N 3.09Å |
| 1239 | R | 83.4 | Confident | 82.7 | Confident | 150 Ų | 150 | 57 Ų | 57 | 57% | 0.566 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 162.7 | -176.1 | 69.8 | -170.1 | 178.4 | 164.6 | -1.2 | 112.4 | S1234 L1237 V1241 | S1234-R1239 PolarHBondContact N-O 2.94Å; S1234-R1239 VanDerWaalsContact N-O 3.12Å; L1237-R1239 HydrophobicContact CB-CG 3.89Å; L1237-R1239 PolarHBondContact O-N 3.16Å; R1239-V1241 PolarHBondContact O-N 2.83Å |
| 1240 | C | 84.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 118.9 | 172.7 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | C1227 R1231 T1232 | C1227-C1240 WeakPolarHBondContact CA-SG 3.43Å; C1227-C1240 HydrophobicContact CB-CB 3.87Å; C1227-C1240 WeakPolarHBondContact CB-SG 3.05Å; C1227-C1240 WeakPolarHBondContact SG-CB 3.47Å; C1227-C1240 CovalentContact SG-SG 2.04Å; C1227-C1240 PolarHBondContact SG-SG 3.49Å; R1231-C1240 HydrophobicContact CB-CB 4.39Å; R1231-C1240 PolarHBondContact NH2-O 3.29Å; T1232-C1240 CarbonylContact O-C 3.56Å; T1232-C1240 VanDerWaalsContact O-CA 3.29Å; T1232-C1240 WeakPolarHBondContact O-CA 3.26Å |
| 1241 | V | 85.2 | Confident | 83.6 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 166.9 | 170.4 | -70.4 | 0 | 0 | 0 | 0 | 110.6 | R1231 T1232 L1237 R1239 Q1255 | R1231-V1241 CarbonylContact C-O 3.51Å; R1231-V1241 WeakPolarHBondContact CA-O 3.47Å; R1231-V1241 WeakPolarHBondContact CB-O 3.38Å; T1232-V1241 HydrophobicContact CG2-CG2 3.95Å; T1232-V1241 PolarHBondContact N-O 2.8Å; T1232-V1241 WeakPolarHBondContact O-CG2 3.44Å; T1232-V1241 PolarHBondContact O-N 2.83Å; L1237-V1241 HydrophobicContact CD1-CG1 3.75Å; R1239-V1241 PolarHBondContact O-N 2.83Å; V1241-Q1255 HydrophobicContact CB-CG 4.35Å; V1241-Q1255 HydrophobicContact CG2-CG 3.69Å |
| 1242 | Q | 85.8 | Confident | 83.5 | Confident | 139 Ų | 139 | 48.4 Ų | 48.4 | 65% | 0.65 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.3 | 176 | -172.1 | 168.7 | -1 | 0 | 0 | 110.4 | Q1255 | Q1242-Q1255 WeakPolarHBondContact O-CG 3.18Å; Q1242-Q1255 PolarHBondContact O-NE2 3.36Å |
| 1243 | A | 85 | Confident | 83.7 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 138.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | G1230 T1232 Q1255 A1258 V1259 | G1230-A1243 PolarHBondContact O-N 2.74Å; T1232-A1243 HydrophobicContact CG2-CB 4.29Å; A1243-Q1255 WeakPolarHBondContact CA-O 3.05Å; A1243-A1258 HydrophobicContact CB-CB 4.12Å; A1243-V1259 HydrophobicContact CB-CG2 4Å |
| 1244 | I | 87.3 | Confident | 83.6 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 12% | 0.118 | 24% | 0.24 | C | C | . | . | trans | -122.9 | 129.2 | -165.5 | -65.6 | 162.8 | 0 | 0 | 0 | 110.1 | R1249 C1250 Q1255 V1259 C1270 | I1244-R1249 WeakPolarHBondContact CD1-O 3.31Å; I1244-C1250 HydrophobicContact CD1-CB 3.83Å; I1244-Q1255 HydrophobicContact CB-CB 4.43Å; I1244-Q1255 HydrophobicContact CD1-CB 3.82Å; I1244-Q1255 HydrophobicContact CD1-CG 4.31Å; I1244-Q1255 HydrophobicContact CG1-CB 4.25Å; I1244-Q1255 PolarHBondContact N-O 3.42Å; I1244-V1259 VanDerWaalsContact O-CG2 3.28Å; I1244-V1259 WeakPolarHBondContact O-CG2 3.3Å; I1244-C1270 VanDerWaalsContact CG2-SG 3.6Å | ||
| 1245 | Q | 84 | Confident | 83.9 | Confident | 126 Ų | 126 | 49.1 Ų | 49.1 | 59% | 0.589 | 24% | 0.243 | S | C | * | . | trans | -65.1 | 157.8 | 178.6 | -67.1 | -65.6 | -33.3 | 0 | 0 | 111.9 | G1247 G1248 | Q1245-G1247 PolarHBondContact O-N 2.72Å; Q1245-G1248 PolarHBondContact O-N 2.79Å | ||
| 1246 | P | 83.1 | Confident | 84.4 | Confident | 24 Ų | 24 | 49 Ų | 49 | 16% | 0.156 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.4 | 131.3 | 171.7 | -32.1 | 36.5 | 0 | 0 | 0 | 112.8 | G1248 N1260 M1263 W1278 I1299 | P1246-G1248 PolarHBondContact O-N 3.03Å; P1246-N1260 WeakPolarHBondContact CG-ND2 3.25Å; P1246-M1263 HydrophobicContact CB-CE 3.95Å; P1246-M1263 HydrophobicContact CB-SD 4.08Å; P1246-M1263 HydrophobicContact CG-CE 4.31Å; P1246-M1263 HydrophobicContact CG-SD 3.76Å; P1246-W1278 HydrophobicContact CB-CG 4.08Å; P1246-W1278 HydrophobicContact CG-CD2 4.15Å; P1246-W1278 HydrophobicContact CG-CG 4.19Å; P1246-W1278 HydrophobicContact CG-CZ2 4.47Å; P1246-I1299 HydrophobicContact CB-CD1 3.88Å; P1246-I1299 HydrophobicContact CB-CG1 4.28Å; P1246-I1299 WeakPolarHBondContact O-CD1 3.36Å |
| 1247 | G | 81.8 | Confident | 84.4 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 1.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q1245 C1270 | Q1245-G1247 PolarHBondContact O-N 2.72Å; G1247-C1270 WeakPolarHBondContact CA-O 3.46Å; G1247-C1270 PolarHBondContact N-O 3.09Å |
| 1248 | G | 85.1 | Confident | 84.4 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 24% | 0.237 | 27% | 0.269 | C | S | . | . | trans | -72.7 | 156.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1245 P1246 C1250 I1269 C1270 | Q1245-G1248 PolarHBondContact O-N 2.79Å; P1246-G1248 PolarHBondContact O-N 3.03Å; G1248-C1250 PolarHBondContact O-N 3Å; G1248-I1269 WeakPolarHBondContact O-CA 3.33Å; G1248-C1270 PolarHBondContact O-N 2.89Å | ||
| 1249 | R | 84.4 | Confident | 84.4 | Confident | 202 Ų | 202 | 51.9 Ų | 51.9 | 76% | 0.762 | 26% | 0.261 | S | S | * | . | B | Isolated β-bridge | trans | -72.4 | 121.5 | 176.4 | -81.7 | -169 | 178.8 | -140.8 | 2.7 | 111.6 | I1244 S1268 | I1244-R1249 WeakPolarHBondContact CD1-O 3.31Å; R1249-S1268 CarbonylContact C-O 3.45Å; R1249-S1268 WeakPolarHBondContact CA-O 2.84Å |
| 1250 | C | 87.3 | Confident | 84.1 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.034 | 24% | 0.242 | C | C | . | . | trans | -119.9 | 164.1 | -178.5 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | I1244 G1248 C1256 C1265 S1268 I1269 C1270 | I1244-C1250 HydrophobicContact CD1-CB 3.83Å; G1248-C1250 PolarHBondContact O-N 3Å; C1250-C1256 VanDerWaalsContact SG-SG 3.67Å; C1250-C1265 VanDerWaalsContact C-SG 3.51Å; C1250-C1265 HydrophobicContact CB-CB 3.98Å; C1250-C1265 WeakPolarHBondContact CB-SG 3.33Å; C1250-C1265 WeakPolarHBondContact SG-CA 3.33Å; C1250-C1265 WeakPolarHBondContact SG-CB 3.41Å; C1250-C1265 CovalentContact SG-SG 2.04Å; C1250-C1265 PolarHBondContact SG-SG 3.49Å; C1250-S1268 PolarHBondContact N-O 3.25Å; C1250-S1268 CarbonylContact O-C 3.55Å; C1250-S1268 WeakPolarHBondContact O-CA 3.13Å; C1250-S1268 WeakPolarHBondContact O-CB 3.43Å; C1250-S1268 VanDerWaalsContact SG-C 3.51Å; C1250-I1269 PolarHBondContact SG-N 3.11Å; C1250-I1269 VanDerWaalsContact SG-N 3.4Å; C1250-C1270 PolarHBondContact SG-N 3.42Å; C1250-C1270 VanDerWaalsContact SG-N 3.42Å | ||
| 1251 | Q | 84.1 | Confident | 83.4 | Confident | 108 Ų | 108 | 51.8 Ų | 51.8 | 51% | 0.505 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -111.3 | -34 | 169.2 | -66.2 | 176.5 | -21.8 | 0 | 0 | 111.3 | Y1125 | Y1125-Q1251 WeakPolarHBondContact CE1-O 3.39Š|
| 1252 | Y | 85.7 | Confident | 82.8 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -135.6 | 144.6 | -176.3 | -54.2 | -78.9 | 0 | 0 | 0 | 111.9 | Q1124 Y1125 V1236 L1237 S1254 Q1255 | Q1124-Y1252 WeakPolarHBondContact O-CE1 3.32Å; Y1125-Y1252 HydrophobicContact CD1-CD1 4.34Å; Y1125-Y1252 HydrophobicContact CD1-CE1 4.06Å; Y1125-Y1252 AromaticContact CE1-CD1 4Å; Y1125-Y1252 HydrophobicContact CE1-CD1 4Å; Y1125-Y1252 AromaticContact CE1-CE1 3.71Å; Y1125-Y1252 HydrophobicContact CE1-CE1 3.71Å; V1236-Y1252 HydrophobicContact CB-CE1 4.29Å; V1236-Y1252 HydrophobicContact CG1-CE1 3.89Å; L1237-Y1252 HydrophobicContact CD1-CD2 4.16Å; L1237-Y1252 HydrophobicContact CD1-CE2 3.44Å; L1237-Y1252 VanDerWaalsContact CD1-CE2 3.44Å; L1237-Y1252 HydrophobicContact CG-CE2 3.95Å; Y1252-S1254 VanDerWaalsContact C-N 3.26Å; Y1252-S1254 PolarHBondContact O-N 3.47Å; Y1252-Q1255 VanDerWaalsContact N-OE1 3.11Å; Y1252-Q1255 VanDerWaalsContact O-CB 3.3Å; Y1252-Q1255 WeakPolarHBondContact O-CB 3.46Å; Y1252-Q1255 WeakPolarHBondContact O-CG 3.33Å; Y1252-Q1255 PolarHBondContact O-N 3.05Å |
| 1253 | S | 85.5 | Confident | 82.8 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -29.6 | -178.9 | -64 | 0 | 0 | 0 | 0 | 114 | E1109 Q1255 C1256 H1257 C1265 | E1109-S1253 WeakPolarHBondContact OE1-CB 3.46Å; E1109-S1253 PolarHBondContact OE1-N 2.82Å; E1109-S1253 PolarHBondContact OE1-OG 3.27Å; S1253-Q1255 PolarHBondContact O-N 3.2Å; S1253-Q1255 VanDerWaalsContact O-N 3.16Å; S1253-C1256 WeakPolarHBondContact O-CB 3.15Å; S1253-C1256 PolarHBondContact O-N 3.17Å; S1253-H1257 PolarHBondContact O-CD2 3.49Å; S1253-H1257 PolarHBondContact O-N 3.27Å; S1253-C1265 PolarHBondContact OG-N 3.03Å |
| 1254 | S | 83.5 | Confident | 82.9 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -20.2 | 175.3 | 44.9 | 0 | 0 | 0 | 0 | 113.4 | D1220 T1232 Y1252 A1258 | D1220-S1254 PolarHBondContact OD2-OG 3.47Å; T1232-S1254 WeakPolarHBondContact CG2-O 3.47Å; Y1252-S1254 VanDerWaalsContact C-N 3.26Å; Y1252-S1254 PolarHBondContact O-N 3.47Å; S1254-A1258 VanDerWaalsContact O-CB 3.3Å; S1254-A1258 WeakPolarHBondContact O-CB 3.34Å; S1254-A1258 PolarHBondContact O-N 3.16Å |
| 1255 | Q | 88.1 | Confident | 83 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.2 | -33 | 171.1 | -57 | -174.6 | -91.5 | 0 | 0 | 113 | V1241 Q1242 A1243 I1244 Y1252 S1253 | V1241-Q1255 HydrophobicContact CB-CG 4.35Å; V1241-Q1255 HydrophobicContact CG2-CG 3.69Å; Q1242-Q1255 WeakPolarHBondContact O-CG 3.18Å; Q1242-Q1255 PolarHBondContact O-NE2 3.36Å; A1243-Q1255 WeakPolarHBondContact CA-O 3.05Å; I1244-Q1255 HydrophobicContact CB-CB 4.43Å; I1244-Q1255 HydrophobicContact CD1-CB 3.82Å; I1244-Q1255 HydrophobicContact CD1-CG 4.31Å; I1244-Q1255 HydrophobicContact CG1-CB 4.25Å; I1244-Q1255 PolarHBondContact N-O 3.42Å; Y1252-Q1255 VanDerWaalsContact N-OE1 3.11Å; Y1252-Q1255 VanDerWaalsContact O-CB 3.3Å; Y1252-Q1255 WeakPolarHBondContact O-CB 3.46Å; Y1252-Q1255 WeakPolarHBondContact O-CG 3.33Å; Y1252-Q1255 PolarHBondContact O-N 3.05Å; S1253-Q1255 PolarHBondContact O-N 3.2Å; S1253-Q1255 VanDerWaalsContact O-N 3.16Å |
| 1256 | C | 88.5 | Confident | 83 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -85.8 | -46.6 | -178.5 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | C1250 S1253 A1258 V1259 N1260 M1263 C1270 | C1250-C1256 VanDerWaalsContact SG-SG 3.67Å; S1253-C1256 WeakPolarHBondContact O-CB 3.15Å; S1253-C1256 PolarHBondContact O-N 3.17Å; C1256-A1258 PolarHBondContact O-N 3.5Å; C1256-V1259 PolarHBondContact O-N 3.16Å; C1256-N1260 PolarHBondContact O-N 3.36Å; C1256-N1260 VanDerWaalsContact O-N 3.13Å; C1256-M1263 CarbonylContact C-O 3.56Å; C1256-M1263 HydrophobicContact CB-CB 4.28Å; C1256-M1263 WeakPolarHBondContact CB-O 3.5Å; C1256-C1270 VanDerWaalsContact CA-SG 3.58Å; C1256-C1270 HydrophobicContact CB-CB 3.69Å; C1256-C1270 WeakPolarHBondContact CB-SG 3.44Å; C1256-C1270 WeakPolarHBondContact SG-CA 3.22Å; C1256-C1270 WeakPolarHBondContact SG-CB 3.4Å; C1256-C1270 CovalentContact SG-SG 2.03Å; C1256-C1270 PolarHBondContact SG-SG 3.41Å |
| 1257 | H | 81.7 | Confident | 82.8 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 38% | 0.384 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.6 | -32.5 | 176.1 | -88.7 | -108.3 | 0 | 0 | 0 | 113 | S1253 V1259 N1260 G1262 M1263 | S1253-H1257 PolarHBondContact O-CD2 3.49Å; S1253-H1257 PolarHBondContact O-N 3.27Å; H1257-V1259 VanDerWaalsContact C-N 3.26Å; H1257-V1259 PolarHBondContact O-N 3.29Å; H1257-N1260 WeakPolarHBondContact CA-O 3.24Å; H1257-N1260 CarbonylContact O-C 3.51Å; H1257-G1262 PolarHBondContact ND1-N 3.32Å; H1257-M1263 PolarHBondContact CD2-O 3.36Å; H1257-M1263 PolarHBondContact N-O 2.04Å |
| 1258 | A | 78.6 | Confident | 82.8 | Confident | 50 Ų | 50 | 49.6 Ų | 49.6 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1232 A1243 S1254 C1256 | T1232-A1258 HydrophobicContact CG2-CB 3.68Å; T1232-A1258 WeakPolarHBondContact OG1-CB 3.38Å; A1243-A1258 HydrophobicContact CB-CB 4.12Å; S1254-A1258 VanDerWaalsContact O-CB 3.3Å; S1254-A1258 WeakPolarHBondContact O-CB 3.34Å; S1254-A1258 PolarHBondContact O-N 3.16Å; C1256-A1258 PolarHBondContact O-N 3.5Å |
| 1259 | V | 79.2 | Confident | 82.8 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -52.7 | 166.8 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | A1243 I1244 C1256 H1257 | A1243-V1259 HydrophobicContact CB-CG2 4Å; I1244-V1259 VanDerWaalsContact O-CG2 3.28Å; I1244-V1259 WeakPolarHBondContact O-CG2 3.3Å; C1256-V1259 PolarHBondContact O-N 3.16Å; H1257-V1259 VanDerWaalsContact C-N 3.26Å; H1257-V1259 PolarHBondContact O-N 3.29Å |
| 1260 | N | 76.8 | Confident | 83 | Confident | 31 Ų | 31 | 41 Ų | 41 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -130.7 | 112.2 | -178.6 | -70.2 | -36.9 | 0 | 0 | 0 | 110.5 | P1246 C1256 H1257 G1262 M1263 W1278 | P1246-N1260 WeakPolarHBondContact CG-ND2 3.25Å; C1256-N1260 PolarHBondContact O-N 3.36Å; C1256-N1260 VanDerWaalsContact O-N 3.13Å; H1257-N1260 WeakPolarHBondContact CA-O 3.24Å; H1257-N1260 CarbonylContact O-C 3.51Å; N1260-G1262 PolarHBondContact O-N 2.97Å; N1260-G1262 VanDerWaalsContact O-N 3.14Å; N1260-M1263 HydrophobicContact CB-CB 4.48Å; N1260-M1263 HydrophobicContact CB-CG 3.94Å; N1260-M1263 HydrophobicContact CB-SD 3.91Å; N1260-M1263 PolarHBondContact O-N 2.71Å; N1260-M1263 VanDerWaalsContact O-N 3.14Å; N1260-W1278 HydrophobicContact CB-CH2 3.96Å; N1260-W1278 HydrophobicContact CB-CZ3 3.95Å; N1260-W1278 WeakPolarHBondContact ND2-CH2 3.16Å; N1260-W1278 WeakPolarHBondContact ND2-CZ2 3.02Å; N1260-W1278 WeakPolarHBondContact OD1-CH2 3.03Å |
| 1261 | P | 71.6 | Confident | 83 | Confident | 123 Ų | 123 | 43 Ų | 43 | 80% | 0.799 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 119.6 | 177.6 | -28.2 | 36.1 | 0 | 0 | 0 | 112.1 | ||
| 1262 | G | 73 | Confident | 83.1 | Confident | 30 Ų | 30 | 38.1 Ų | 38.1 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.6 | -9.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | H1257 N1260 P1273 | H1257-G1262 PolarHBondContact ND1-N 3.32Å; N1260-G1262 PolarHBondContact O-N 2.97Å; N1260-G1262 VanDerWaalsContact O-N 3.14Å; G1262-P1273 WeakPolarHBondContact O-CD 3.41Å |
| 1263 | M | 84.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -81.8 | 125.5 | 171.2 | -69.1 | -165 | 76.1 | 0 | 0 | 111.5 | P1246 C1256 H1257 N1260 R1271 W1278 | P1246-M1263 HydrophobicContact CB-CE 3.95Å; P1246-M1263 HydrophobicContact CB-SD 4.08Å; P1246-M1263 HydrophobicContact CG-CE 4.31Å; P1246-M1263 HydrophobicContact CG-SD 3.76Å; C1256-M1263 CarbonylContact C-O 3.56Å; C1256-M1263 HydrophobicContact CB-CB 4.28Å; C1256-M1263 WeakPolarHBondContact CB-O 3.5Å; H1257-M1263 PolarHBondContact CD2-O 3.36Å; H1257-M1263 PolarHBondContact N-O 2.04Å; N1260-M1263 HydrophobicContact CB-CB 4.48Å; N1260-M1263 HydrophobicContact CB-CG 3.94Å; N1260-M1263 HydrophobicContact CB-SD 3.91Å; N1260-M1263 PolarHBondContact O-N 2.71Å; N1260-M1263 VanDerWaalsContact O-N 3.14Å; M1263-R1271 CarbonylContact C-O 3.52Å; M1263-R1271 WeakPolarHBondContact CA-O 3.5Å; M1263-R1271 VanDerWaalsContact CE-C 3.5Å; M1263-W1278 HydrophobicContact CE-CB 4.32Å; M1263-W1278 HydrophobicContact CG-CE3 4.31Å; M1263-W1278 HydrophobicContact SD-CD2 3.95Å; M1263-W1278 HydrophobicContact SD-CE3 3.63Å; M1263-W1278 HydrophobicContact SD-CG 4.38Å; M1263-W1278 HydrophobicContact SD-CZ3 4.14Å |
| 1264 | I | 87.4 | Confident | 82.2 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 26% | 0.256 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 159.3 | -177.7 | 58.2 | 168.8 | 0 | 0 | 0 | 112 | Q1266 C1270 R1271 P1273 | I1264-Q1266 HydrophobicContact CD1-CB 4.38Å; I1264-Q1266 HydrophobicContact CG1-CB 4.49Å; I1264-C1270 CarbonylContact O-C 3.59Å; I1264-C1270 WeakPolarHBondContact O-CA 3.46Å; I1264-R1271 PolarHBondContact N-O 2.86Å; I1264-R1271 PolarHBondContact O-N 2.73Å; I1264-P1273 HydrophobicContact CD1-CB 4.07Å; I1264-P1273 HydrophobicContact CG1-CB 4.36Å |
| 1265 | C | 88 | Confident | 81.6 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.02 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 119.9 | 165.4 | -168.3 | 0 | 0 | 0 | 0 | 108.5 | E1109 C1250 S1253 | E1109-C1265 WeakPolarHBondContact CA-O 3.25Å; C1250-C1265 VanDerWaalsContact C-SG 3.51Å; C1250-C1265 HydrophobicContact CB-CB 3.98Å; C1250-C1265 WeakPolarHBondContact CB-SG 3.33Å; C1250-C1265 WeakPolarHBondContact SG-CA 3.33Å; C1250-C1265 WeakPolarHBondContact SG-CB 3.41Å; C1250-C1265 CovalentContact SG-SG 2.04Å; C1250-C1265 PolarHBondContact SG-SG 3.49Å; S1253-C1265 PolarHBondContact OG-N 3.03Å |
| 1266 | Q | 84.1 | Confident | 81.3 | Confident | 62 Ų | 62 | 58 Ų | 58 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 117.7 | -178.3 | -171.6 | 178.6 | 6 | 0 | 0 | 109.6 | I1264 S1268 I1269 | I1264-Q1266 HydrophobicContact CD1-CB 4.38Å; I1264-Q1266 HydrophobicContact CG1-CB 4.49Å; Q1266-S1268 VanDerWaalsContact C-N 3.31Å; Q1266-S1268 PolarHBondContact O-N 3.49Å; Q1266-I1269 PolarHBondContact N-O 3.13Å; Q1266-I1269 PolarHBondContact O-N 2.8Å |
| 1267 | R | 79.2 | Confident | 81 | Confident | 141 Ų | 141 | 58.1 Ų | 58.1 | 53% | 0.532 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 47.9 | -173 | -55.8 | -179.4 | -176.2 | 126.8 | 3.5 | 112.5 | S1108 E1109 I1269 | S1108-R1267 PolarHBondContact O-N 3.09Å; E1109-R1267 CarbonylContact O-C 3.49Å; E1109-R1267 WeakPolarHBondContact O-CA 3.28Å; E1109-R1267 PolarHBondContact O-N 3.03Å; R1267-I1269 VanDerWaalsContact C-N 3.25Å; R1267-I1269 PolarHBondContact O-N 2.91Å |
| 1268 | S | 81.9 | Confident | 81.2 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 21.9 | -179.1 | -52.6 | 0 | 0 | 0 | 0 | 115.2 | E1109 A1110 R1249 C1250 Q1266 | E1109-S1268 PolarHBondContact O-N 2.64Å; A1110-S1268 PolarHBondContact O-OG 3.32Å; A1110-S1268 VanDerWaalsContact O-OG 3.09Å; R1249-S1268 CarbonylContact C-O 3.45Å; R1249-S1268 WeakPolarHBondContact CA-O 2.84Å; C1250-S1268 PolarHBondContact N-O 3.25Å; C1250-S1268 CarbonylContact O-C 3.55Å; C1250-S1268 WeakPolarHBondContact O-CA 3.13Å; C1250-S1268 WeakPolarHBondContact O-CB 3.43Å; C1250-S1268 VanDerWaalsContact SG-C 3.51Å; Q1266-S1268 VanDerWaalsContact C-N 3.31Å; Q1266-S1268 PolarHBondContact O-N 3.49Å |
| 1269 | I | 85.4 | Confident | 81.2 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 22% | 0.221 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.2 | 176.7 | -61.9 | 177.5 | 0 | 0 | 0 | 110.5 | G1248 C1250 Q1266 R1267 R1271 N1297 | G1248-I1269 WeakPolarHBondContact O-CA 3.33Å; C1250-I1269 PolarHBondContact SG-N 3.11Å; C1250-I1269 VanDerWaalsContact SG-N 3.4Å; Q1266-I1269 PolarHBondContact N-O 3.13Å; Q1266-I1269 PolarHBondContact O-N 2.8Å; R1267-I1269 VanDerWaalsContact C-N 3.25Å; R1267-I1269 PolarHBondContact O-N 2.91Å; I1269-R1271 HydrophobicContact CG2-CG 4.25Å; I1269-R1271 PolarHBondContact O-N 2.68Å; I1269-N1297 HydrophobicContact CG2-CB 4.13Å |
| 1270 | C | 89.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 112.1 | 175.9 | -69.4 | 0 | 0 | 0 | 0 | 111.6 | I1244 G1247 G1248 C1250 C1256 I1264 | I1244-C1270 VanDerWaalsContact CG2-SG 3.6Å; G1247-C1270 WeakPolarHBondContact CA-O 3.46Å; G1247-C1270 PolarHBondContact N-O 3.09Å; G1248-C1270 PolarHBondContact O-N 2.89Å; C1250-C1270 PolarHBondContact SG-N 3.42Å; C1250-C1270 VanDerWaalsContact SG-N 3.42Å; C1256-C1270 VanDerWaalsContact CA-SG 3.58Å; C1256-C1270 HydrophobicContact CB-CB 3.69Å; C1256-C1270 WeakPolarHBondContact CB-SG 3.44Å; C1256-C1270 WeakPolarHBondContact SG-CA 3.22Å; C1256-C1270 WeakPolarHBondContact SG-CB 3.4Å; C1256-C1270 CovalentContact SG-SG 2.03Å; C1256-C1270 PolarHBondContact SG-SG 3.41Å; I1264-C1270 CarbonylContact O-C 3.59Å; I1264-C1270 WeakPolarHBondContact O-CA 3.46Å |
| 1271 | R | 87.8 | Confident | 80.8 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 19% | 0.185 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 161 | -178.2 | -64.8 | -164.7 | 178.8 | -141.8 | 7.2 | 112.4 | M1263 I1264 I1269 L1295 E1296 | M1263-R1271 CarbonylContact C-O 3.52Å; M1263-R1271 WeakPolarHBondContact CA-O 3.5Å; M1263-R1271 VanDerWaalsContact CE-C 3.5Å; I1264-R1271 PolarHBondContact N-O 2.86Å; I1264-R1271 PolarHBondContact O-N 2.73Å; I1269-R1271 HydrophobicContact CG2-CG 4.25Å; I1269-R1271 PolarHBondContact O-N 2.68Å; R1271-L1295 VanDerWaalsContact CZ-O 3.25Å; R1271-L1295 PolarHBondContact NH1-O 3.3Å; R1271-L1295 PolarHBondContact NH2-O 3.11Å; R1271-E1296 PolarHBondContact NH2-O 3.37Å |
| 1272 | C | 86.1 | Confident | 81.3 | Confident | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | trans | -73.5 | 144.5 | 164.1 | -68.7 | 0 | 0 | 0 | 0 | 110.1 | Y1276 C1283 | C1272-Y1276 VanDerWaalsContact CB-O 3.22Å; C1272-Y1276 WeakPolarHBondContact CB-O 3.49Å; C1272-C1283 HydrophobicContact CB-CB 3.76Å; C1272-C1283 WeakPolarHBondContact CB-SG 3.44Å; C1272-C1283 VanDerWaalsContact SG-CA 3.58Å; C1272-C1283 WeakPolarHBondContact SG-CB 3.04Å; C1272-C1283 CovalentContact SG-SG 2.04Å; C1272-C1283 PolarHBondContact SG-SG 3.44Å | ||
| 1273 | P | 80 | Confident | 81.8 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -72 | 166.4 | -178.8 | 29.3 | -35.9 | 0 | 0 | 0 | 112.3 | G1262 I1264 Q1275 Y1276 | G1262-P1273 WeakPolarHBondContact O-CD 3.41Å; I1264-P1273 HydrophobicContact CD1-CB 4.07Å; I1264-P1273 HydrophobicContact CG1-CB 4.36Å; P1273-Q1275 VanDerWaalsContact C-N 3.29Å; P1273-Q1275 PolarHBondContact O-N 3.18Å; P1273-Q1275 VanDerWaalsContact O-N 3.15Å; P1273-Y1276 WeakPolarHBondContact O-CB 3.46Å; P1273-Y1276 VanDerWaalsContact O-CD2 3.26Å; P1273-Y1276 WeakPolarHBondContact O-CD2 3.29Å; P1273-Y1276 PolarHBondContact O-N 2.95Å |
| 1274 | K | 72 | Confident | 81.5 | Confident | 179 Ų | 179 | 64.8 Ų | 64.8 | 78% | 0.778 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32.5 | 172.9 | -62.4 | -176.3 | 177.8 | 179.8 | 0 | 116.2 | Y1276 | K1274-Y1276 HydrophobicContact CB-CD2 3.75Å; K1274-Y1276 HydrophobicContact CB-CE2 3.8Å; K1274-Y1276 HydrophobicContact CD-CE2 4.34Å; K1274-Y1276 WeakPolarHBondContact O-CD2 3.35Å; K1274-Y1276 PolarHBondContact O-N 3.45Å |
| 1275 | Q | 69.8 | Low | 81.1 | Confident | 176 Ų | 176 | 69.3 Ų | 69.3 | 82% | 0.822 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 14.6 | -175.3 | -53 | 175.8 | -27.1 | 0 | 0 | 114.9 | P1273 | P1273-Q1275 VanDerWaalsContact C-N 3.29Å; P1273-Q1275 PolarHBondContact O-N 3.18Å; P1273-Q1275 VanDerWaalsContact O-N 3.15Å |
| 1276 | Y | 83.2 | Confident | 80.7 | Confident | 76 Ų | 76 | 73.3 Ų | 73.3 | 30% | 0.298 | 37% | 0.366 | S | S | . | . | trans | -67.7 | 159.7 | 167.4 | -71.8 | -119.2 | 0 | 0 | 0 | 109.1 | C1272 P1273 K1274 S1284 E1285 | C1272-Y1276 VanDerWaalsContact CB-O 3.22Å; C1272-Y1276 WeakPolarHBondContact CB-O 3.49Å; P1273-Y1276 WeakPolarHBondContact O-CB 3.46Å; P1273-Y1276 VanDerWaalsContact O-CD2 3.26Å; P1273-Y1276 WeakPolarHBondContact O-CD2 3.29Å; P1273-Y1276 PolarHBondContact O-N 2.95Å; K1274-Y1276 HydrophobicContact CB-CD2 3.75Å; K1274-Y1276 HydrophobicContact CB-CE2 3.8Å; K1274-Y1276 HydrophobicContact CD-CE2 4.34Å; K1274-Y1276 WeakPolarHBondContact O-CD2 3.35Å; K1274-Y1276 PolarHBondContact O-N 3.45Å; Y1276-S1284 CarbonylContact C-O 3.48Å; Y1276-S1284 WeakPolarHBondContact CA-O 3.08Å; Y1276-S1284 VanDerWaalsContact CB-O 3.27Å; Y1276-S1284 WeakPolarHBondContact CB-O 3.32Å; Y1276-S1284 VanDerWaalsContact CD1-C 3.46Å; Y1276-E1285 HydrophobicContact CD1-CG 3.85Å; Y1276-E1285 HydrophobicContact CE1-CB 4.39Å; Y1276-E1285 HydrophobicContact CE1-CG 3.21Å; Y1276-E1285 HydrophobicContact CE2-CG 4.32Å; Y1276-E1285 VanDerWaalsContact CZ-CG 3.48Å; Y1276-E1285 PolarHBondContact OH-OE1 2.84Å | ||
| 1277 | V | 82.1 | Confident | 80.5 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.03 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.5 | -169.5 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | T1279 C1283 S1284 S1286 C1287 E1293 G1298 | V1277-T1279 PolarHBondContact O-N 3.3Å; V1277-C1283 CarbonylContact O-C 3.59Å; V1277-C1283 WeakPolarHBondContact O-CA 3.29Å; V1277-S1284 WeakPolarHBondContact CG2-O 3.17Å; V1277-S1284 PolarHBondContact N-O 3.45Å; V1277-S1284 PolarHBondContact O-N 3.19Å; V1277-S1286 VanDerWaalsContact CG2-C 3.48Å; V1277-C1287 VanDerWaalsContact CG2-SG 3.59Å; V1277-E1293 HydrophobicContact CB-CG 4.43Å; V1277-E1293 HydrophobicContact CG1-CB 3.85Å; V1277-E1293 HydrophobicContact CG1-CG 3.54Å; V1277-G1298 CarbonylContact C-O 3.49Å; V1277-G1298 WeakPolarHBondContact CA-O 3.3Å |
| 1278 | W | 86.2 | Confident | 80.5 | Confident | 24 Ų | 24 | 67.7 Ų | 67.7 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 107 | -175.9 | -179 | -103.2 | 0 | 0 | 0 | 111.5 | P1246 N1260 M1263 G1280 K1281 Q1282 G1298 I1299 C1300 | P1246-W1278 HydrophobicContact CB-CG 4.08Å; P1246-W1278 HydrophobicContact CG-CD2 4.15Å; P1246-W1278 HydrophobicContact CG-CG 4.19Å; P1246-W1278 HydrophobicContact CG-CZ2 4.47Å; N1260-W1278 HydrophobicContact CB-CH2 3.96Å; N1260-W1278 HydrophobicContact CB-CZ3 3.95Å; N1260-W1278 WeakPolarHBondContact ND2-CH2 3.16Å; N1260-W1278 WeakPolarHBondContact ND2-CZ2 3.02Å; N1260-W1278 WeakPolarHBondContact OD1-CH2 3.03Å; M1263-W1278 HydrophobicContact CE-CB 4.32Å; M1263-W1278 HydrophobicContact CG-CE3 4.31Å; M1263-W1278 HydrophobicContact SD-CD2 3.95Å; M1263-W1278 HydrophobicContact SD-CE3 3.63Å; M1263-W1278 HydrophobicContact SD-CG 4.38Å; M1263-W1278 HydrophobicContact SD-CZ3 4.14Å; W1278-G1280 PolarHBondContact O-N 3.43Å; W1278-G1280 VanDerWaalsContact O-N 3.08Å; W1278-K1281 WeakPolarHBondContact CH2-O 3.49Å; W1278-Q1282 VanDerWaalsContact CE3-C 3.47Å; W1278-G1298 PolarHBondContact N-O 3.19Å; W1278-I1299 HydrophobicContact CB-CG1 4.33Å; W1278-C1300 WeakPolarHBondContact O-CB 3.33Å; W1278-C1300 PolarHBondContact O-N 2.92Å |
| 1279 | T | 77.1 | Confident | 79.7 | Confident | 34 Ų | 34 | 75.6 Ų | 75.6 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | trans | -68.6 | -0.6 | -178.7 | 58 | 0 | 0 | 0 | 0 | 115.7 | V1277 K1281 Q1282 S1284 | V1277-T1279 PolarHBondContact O-N 3.3Å; T1279-K1281 VanDerWaalsContact C-N 3.27Å; T1279-K1281 PolarHBondContact OG1-N 2.78Å; T1279-Q1282 WeakPolarHBondContact CB-O 3.38Å; T1279-Q1282 WeakPolarHBondContact CG2-O 3.32Å; T1279-Q1282 PolarHBondContact N-O 2.96Å; T1279-Q1282 PolarHBondContact OG1-N 2.92Å; T1279-Q1282 PolarHBondContact OG1-O 3.33Å; T1279-S1284 WeakPolarHBondContact CG2-OG 3.33Å | ||
| 1280 | G | 72.3 | Confident | 78.6 | Confident | 51 Ų | 51 | 76 Ų | 76 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 89.2 | -19.9 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | W1278 | W1278-G1280 PolarHBondContact O-N 3.43Å; W1278-G1280 VanDerWaalsContact O-N 3.08Å |
| 1281 | K | 76.4 | Confident | 78 | Confident | 193 Ų | 193 | 81 Ų | 81 | 84% | 0.839 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -124.1 | -34.9 | 179.3 | -65.3 | -176 | 179.5 | -179.9 | 0 | 114.7 | W1278 T1279 | W1278-K1281 WeakPolarHBondContact CH2-O 3.49Å; T1279-K1281 VanDerWaalsContact C-N 3.27Å; T1279-K1281 PolarHBondContact OG1-N 2.78Å |
| 1282 | Q | 80.5 | Confident | 77.2 | Confident | 126 Ų | 126 | 84.8 Ų | 84.8 | 59% | 0.589 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -155.6 | 163.6 | -179.2 | 64.2 | -173.4 | 7.3 | 0 | 0 | 111.5 | W1278 T1279 | W1278-Q1282 VanDerWaalsContact CE3-C 3.47Å; T1279-Q1282 WeakPolarHBondContact CB-O 3.38Å; T1279-Q1282 WeakPolarHBondContact CG2-O 3.32Å; T1279-Q1282 PolarHBondContact N-O 2.96Å; T1279-Q1282 PolarHBondContact OG1-N 2.92Å; T1279-Q1282 PolarHBondContact OG1-O 3.33Å |
| 1283 | C | 83.8 | Confident | 76.6 | Confident | 43 Ų | 43 | 87.2 Ų | 87.2 | 29% | 0.291 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 134.8 | 166.7 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | C1272 V1277 | C1272-C1283 HydrophobicContact CB-CB 3.76Å; C1272-C1283 WeakPolarHBondContact CB-SG 3.44Å; C1272-C1283 VanDerWaalsContact SG-CA 3.58Å; C1272-C1283 WeakPolarHBondContact SG-CB 3.04Å; C1272-C1283 CovalentContact SG-SG 2.04Å; C1272-C1283 PolarHBondContact SG-SG 3.44Å; V1277-C1283 CarbonylContact O-C 3.59Å; V1277-C1283 WeakPolarHBondContact O-CA 3.29Å |
| 1284 | S | 79.7 | Confident | 76.2 | Confident | 26 Ų | 26 | 86.7 Ų | 86.7 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 167 | 175.2 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | Y1276 V1277 T1279 S1286 | Y1276-S1284 CarbonylContact C-O 3.48Å; Y1276-S1284 WeakPolarHBondContact CA-O 3.08Å; Y1276-S1284 VanDerWaalsContact CB-O 3.27Å; Y1276-S1284 WeakPolarHBondContact CB-O 3.32Å; Y1276-S1284 VanDerWaalsContact CD1-C 3.46Å; V1277-S1284 WeakPolarHBondContact CG2-O 3.17Å; V1277-S1284 PolarHBondContact N-O 3.45Å; V1277-S1284 PolarHBondContact O-N 3.19Å; T1279-S1284 WeakPolarHBondContact CG2-OG 3.33Å; S1284-S1286 VanDerWaalsContact C-N 3.35Å; S1284-S1286 WeakPolarHBondContact CB-O 3.5Å; S1284-S1286 PolarHBondContact OG-O 3.18Å |
| 1285 | E | 79.1 | Confident | 76 | Confident | 145 Ų | 145 | 83.6 Ų | 83.6 | 68% | 0.678 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -71.8 | -31.2 | 178.3 | -66.8 | -176.7 | 170.2 | 0 | 0 | 112.6 | Y1276 | Y1276-E1285 HydrophobicContact CD1-CG 3.85Å; Y1276-E1285 HydrophobicContact CE1-CB 4.39Å; Y1276-E1285 HydrophobicContact CE1-CG 3.21Å; Y1276-E1285 HydrophobicContact CE2-CG 4.32Å; Y1276-E1285 VanDerWaalsContact CZ-CG 3.48Å; Y1276-E1285 PolarHBondContact OH-OE1 2.84Å |
| 1286 | S | 79.4 | Confident | 75.8 | Confident | 86 Ų | 86 | 81.9 Ų | 81.9 | 60% | 0.601 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -137.8 | 158.8 | 176 | 59.6 | 0 | 0 | 0 | 0 | 110.3 | V1277 S1284 | V1277-S1286 VanDerWaalsContact CG2-C 3.48Å; S1284-S1286 VanDerWaalsContact C-N 3.35Å; S1284-S1286 WeakPolarHBondContact CB-O 3.5Å; S1284-S1286 PolarHBondContact OG-O 3.18Å |
| 1287 | C | 79.7 | Confident | 75.2 | Confident | 22 Ų | 22 | 79.9 Ų | 79.9 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 149.4 | 171.3 | -66.3 | 0 | 0 | 0 | 0 | 110.6 | V1277 Y1291 E1293 C1300 | V1277-C1287 VanDerWaalsContact CG2-SG 3.59Å; C1287-Y1291 WeakPolarHBondContact CB-O 3.29Å; C1287-E1293 PolarHBondContact SG-N 3.38Å; C1287-C1300 WeakPolarHBondContact CA-SG 3.27Å; C1287-C1300 HydrophobicContact CB-CB 3.83Å; C1287-C1300 WeakPolarHBondContact CB-SG 3.22Å; C1287-C1300 WeakPolarHBondContact SG-CA 3.09Å; C1287-C1300 WeakPolarHBondContact SG-CB 3.48Å; C1287-C1300 CovalentContact SG-SG 2.04Å; C1287-C1300 PolarHBondContact SG-SG 3.17Å |
| 1288 | P | 78.4 | Confident | 74.9 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 41% | 0.409 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 161.1 | 174.4 | 27.4 | -35.2 | 0 | 0 | 0 | 111.2 | G1290 Y1291 | P1288-G1290 PolarHBondContact O-N 2.66Å; P1288-Y1291 HydrophobicContact CG-CD2 3.95Å; P1288-Y1291 HydrophobicContact CG-CG 4.13Å; P1288-Y1291 WeakPolarHBondContact O-CA 3.03Å; P1288-Y1291 WeakPolarHBondContact O-CB 3.49Å; P1288-Y1291 PolarHBondContact O-N 3.46Å |
| 1289 | E | 66 | Low | 74.7 | Confident | 196 Ų | 196 | 80.5 Ų | 80.5 | 92% | 0.916 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 139.8 | 177.9 | -67.1 | -163.4 | 132.8 | 0 | 0 | 111.9 | Y1291 | E1289-Y1291 VanDerWaalsContact C-N 3.31Š|
| 1290 | G | 62.2 | Low | 74.7 | Confident | 50 Ų | 50 | 79.4 Ų | 79.4 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 11.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1288 P1302 A1303 | P1288-G1290 PolarHBondContact O-N 2.66Å; G1290-P1302 CarbonylContact O-C 3.5Å; G1290-P1302 WeakPolarHBondContact O-CA 3.42Å; G1290-A1303 PolarHBondContact O-N 3.39Å |
| 1291 | Y | 75.9 | Confident | 74.5 | Confident | 108 Ų | 108 | 82.6 Ų | 82.6 | 42% | 0.424 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 152.8 | 174.4 | -68.7 | -107.1 | 0 | 0 | 0 | 112.7 | C1287 P1288 E1289 C1300 R1301 P1302 | C1287-Y1291 WeakPolarHBondContact CB-O 3.29Å; P1288-Y1291 HydrophobicContact CG-CD2 3.95Å; P1288-Y1291 HydrophobicContact CG-CG 4.13Å; P1288-Y1291 WeakPolarHBondContact O-CA 3.03Å; P1288-Y1291 WeakPolarHBondContact O-CB 3.49Å; P1288-Y1291 PolarHBondContact O-N 3.46Å; E1289-Y1291 VanDerWaalsContact C-N 3.31Å; Y1291-C1300 HydrophobicContact CD1-CB 4.31Å; Y1291-R1301 CarbonylContact C-O 3.6Å; Y1291-R1301 WeakPolarHBondContact CA-O 3.42Å; Y1291-R1301 WeakPolarHBondContact CB-O 3.2Å; Y1291-R1301 VanDerWaalsContact CD1-C 3.49Å; Y1291-R1301 WeakPolarHBondContact CD1-O 3.22Å; Y1291-P1302 HydrophobicContact CD1-CB 4.46Å; Y1291-P1302 HydrophobicContact CD1-CG 4.18Å; Y1291-P1302 HydrophobicContact CE1-CB 4.26Å; Y1291-P1302 HydrophobicContact CE1-CG 3.67Å |
| 1292 | R | 71.4 | Confident | 74 | Confident | 127 Ų | 127 | 76.9 Ų | 76.9 | 48% | 0.479 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.6 | 177.1 | -165.7 | -158.4 | 177.8 | 169.4 | -0.2 | 111.6 | N1294 C1300 R1301 A1303 E1310 | R1292-N1294 PolarHBondContact O-N 3.06Å; R1292-C1300 CarbonylContact O-C 3.59Å; R1292-C1300 WeakPolarHBondContact O-CA 3.07Å; R1292-R1301 PolarHBondContact N-O 3.29Å; R1292-R1301 PolarHBondContact O-N 2.97Å; R1292-A1303 HydrophobicContact CB-CB 4.36Å; R1292-E1310 WeakPolarHBondContact CD-OE2 3.46Å; R1292-E1310 IonicContact CZ-OE2 2.84Å; R1292-E1310 IonicContact NE-OE2 3.56Å; R1292-E1310 IonicContact NH1-OE1 3.42Å; R1292-E1310 IonicContact NH1-OE2 2.83Å; R1292-E1310 PolarHBondContact NH1-OE2 2.89Å |
| 1293 | E | 74.6 | Confident | 73.2 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 129.4 | 170.6 | -169.3 | -164.8 | 174.5 | 0 | 0 | 112.4 | V1277 C1287 | V1277-E1293 HydrophobicContact CB-CG 4.43Å; V1277-E1293 HydrophobicContact CG1-CB 3.85Å; V1277-E1293 HydrophobicContact CG1-CG 3.54Å; C1287-E1293 PolarHBondContact SG-N 3.38Å |
| 1294 | N | 70.7 | Confident | 72.2 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 105.7 | 155.3 | 176.2 | 3.8 | 0 | 0 | 0 | 110.1 | R1292 E1296 N1297 G1298 I1299 | R1292-N1294 PolarHBondContact O-N 3.06Å; N1294-E1296 PolarHBondContact O-N 3.17Å; N1294-E1296 WeakPolarHBondContact OD1-CB 3.16Å; N1294-E1296 PolarHBondContact OD1-N 2.8Å; N1294-N1297 WeakPolarHBondContact CB-OD1 3.26Å; N1294-N1297 PolarHBondContact ND2-OD1 3.02Å; N1294-N1297 PolarHBondContact O-N 2.83Å; N1294-N1297 VanDerWaalsContact O-N 3.08Å; N1294-N1297 PolarHBondContact O-OD1 3.22Å; N1294-G1298 PolarHBondContact O-N 3.5Å; N1294-I1299 PolarHBondContact N-O 3.26Å |
| 1295 | L | 66.8 | Low | 71.4 | Confident | 114 Ų | 114 | 80.2 Ų | 80.2 | 60% | 0.597 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.9 | -176.9 | -73.2 | 81 | 0 | 0 | 0 | 114.2 | R1271 | R1271-L1295 VanDerWaalsContact CZ-O 3.25Å; R1271-L1295 PolarHBondContact NH1-O 3.3Å; R1271-L1295 PolarHBondContact NH2-O 3.11Å |
| 1296 | E | 67.2 | Low | 70.3 | Confident | 140 Ų | 140 | 83.2 Ų | 83.2 | 65% | 0.654 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -25.2 | 177.3 | -64.5 | -171.5 | 165.9 | 0 | 0 | 113.2 | R1271 N1294 | R1271-E1296 PolarHBondContact NH2-O 3.37Å; N1294-E1296 PolarHBondContact O-N 3.17Å; N1294-E1296 WeakPolarHBondContact OD1-CB 3.16Å; N1294-E1296 PolarHBondContact OD1-N 2.8Å |
| 1297 | N | 70.2 | Confident | 69.4 | Low | 35 Ų | 35 | 81 Ų | 81 | 19% | 0.187 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | -0.4 | -176.6 | 71.4 | 4.9 | 0 | 0 | 0 | 116.1 | I1269 N1294 I1299 | I1269-N1297 HydrophobicContact CG2-CB 4.13Å; N1294-N1297 WeakPolarHBondContact CB-OD1 3.26Å; N1294-N1297 PolarHBondContact ND2-OD1 3.02Å; N1294-N1297 PolarHBondContact O-N 2.83Å; N1294-N1297 VanDerWaalsContact O-N 3.08Å; N1294-N1297 PolarHBondContact O-OD1 3.22Å; N1297-I1299 VanDerWaalsContact C-N 3.32Å; N1297-I1299 PolarHBondContact O-N 3.42Å; N1297-I1299 WeakPolarHBondContact OD1-CB 3.24Å; N1297-I1299 PolarHBondContact OD1-N 3.23Å |
| 1298 | G | 74.3 | Confident | 69.2 | Low | 2 Ų | 2 | 82.7 Ų | 82.7 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 24.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1277 W1278 N1294 | V1277-G1298 CarbonylContact C-O 3.49Å; V1277-G1298 WeakPolarHBondContact CA-O 3.3Å; W1278-G1298 PolarHBondContact N-O 3.19Å; N1294-G1298 PolarHBondContact O-N 3.5Å |
| 1299 | I | 82.1 | Confident | 68.6 | Low | 40 Ų | 40 | 81.3 Ų | 81.3 | 21% | 0.205 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 140.5 | 178.2 | -57.6 | 179 | 0 | 0 | 0 | 110.6 | P1246 W1278 N1294 N1297 R1301 | P1246-I1299 HydrophobicContact CB-CD1 3.88Å; P1246-I1299 HydrophobicContact CB-CG1 4.28Å; P1246-I1299 WeakPolarHBondContact O-CD1 3.36Å; W1278-I1299 HydrophobicContact CB-CG1 4.33Å; N1294-I1299 PolarHBondContact N-O 3.26Å; N1297-I1299 VanDerWaalsContact C-N 3.32Å; N1297-I1299 PolarHBondContact O-N 3.42Å; N1297-I1299 WeakPolarHBondContact OD1-CB 3.24Å; N1297-I1299 PolarHBondContact OD1-N 3.23Å; I1299-R1301 PolarHBondContact O-N 3.47Å |
| 1300 | C | 77.4 | Confident | 68.4 | Low | 10 Ų | 10 | 74 Ų | 74 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 106.3 | 168.8 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | W1278 C1287 Y1291 R1292 | W1278-C1300 WeakPolarHBondContact O-CB 3.33Å; W1278-C1300 PolarHBondContact O-N 2.92Å; C1287-C1300 WeakPolarHBondContact CA-SG 3.27Å; C1287-C1300 HydrophobicContact CB-CB 3.83Å; C1287-C1300 WeakPolarHBondContact CB-SG 3.22Å; C1287-C1300 WeakPolarHBondContact SG-CA 3.09Å; C1287-C1300 WeakPolarHBondContact SG-CB 3.48Å; C1287-C1300 CovalentContact SG-SG 2.04Å; C1287-C1300 PolarHBondContact SG-SG 3.17Å; Y1291-C1300 HydrophobicContact CD1-CB 4.31Å; R1292-C1300 CarbonylContact O-C 3.59Å; R1292-C1300 WeakPolarHBondContact O-CA 3.07Å |
| 1301 | R | 69 | Low | 67.9 | Low | 118 Ų | 118 | 74 Ų | 74 | 45% | 0.445 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 149.6 | 165.5 | -173.8 | 180 | 178.4 | 131.6 | 4 | 108.8 | Y1291 R1292 I1299 A1303 G1313 | Y1291-R1301 CarbonylContact C-O 3.6Å; Y1291-R1301 WeakPolarHBondContact CA-O 3.42Å; Y1291-R1301 WeakPolarHBondContact CB-O 3.2Å; Y1291-R1301 VanDerWaalsContact CD1-C 3.49Å; Y1291-R1301 WeakPolarHBondContact CD1-O 3.22Å; R1292-R1301 PolarHBondContact N-O 3.29Å; R1292-R1301 PolarHBondContact O-N 2.97Å; I1299-R1301 PolarHBondContact O-N 3.47Å; R1301-A1303 PolarHBondContact O-N 2.83Å; R1301-G1313 WeakPolarHBondContact CD-O 3.37Å; R1301-G1313 PolarHBondContact NE-O 2.92Å; R1301-G1313 PolarHBondContact NH1-O 2.03Å |
| 1302 | P | 65.5 | Low | 66.6 | Low | 73 Ų | 73 | 79 Ų | 79 | 47% | 0.474 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 127.1 | 165.2 | -26.5 | 34.1 | 0 | 0 | 0 | 110.6 | G1290 Y1291 | G1290-P1302 CarbonylContact O-C 3.5Å; G1290-P1302 WeakPolarHBondContact O-CA 3.42Å; Y1291-P1302 HydrophobicContact CD1-CB 4.46Å; Y1291-P1302 HydrophobicContact CD1-CG 4.18Å; Y1291-P1302 HydrophobicContact CE1-CB 4.26Å; Y1291-P1302 HydrophobicContact CE1-CG 3.67Å |
| 1303 | A | 63.1 | Low | 65.7 | Low | 33 Ų | 33 | 73.4 Ų | 73.4 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 157.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G1290 R1292 R1301 | G1290-A1303 PolarHBondContact O-N 3.39Å; R1292-A1303 HydrophobicContact CB-CB 4.36Å; R1301-A1303 PolarHBondContact O-N 2.83Å |
| 1304 | C | 62.7 | Low | 64.6 | Low | 31 Ų | 31 | 76.2 Ų | 76.2 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 134.4 | -176.3 | -46.7 | 0 | 0 | 0 | 0 | 109.3 | Q1308 E1310 C1315 | C1304-Q1308 HydrophobicContact CB-CB 3.59Å; C1304-E1310 VanDerWaalsContact SG-CB 3.6Å; C1304-C1315 WeakPolarHBondContact CA-SG 3.33Å; C1304-C1315 HydrophobicContact CB-CB 3.54Å; C1304-C1315 WeakPolarHBondContact CB-SG 3.09Å; C1304-C1315 PolarHBondContact N-SG 3.18Å; C1304-C1315 WeakPolarHBondContact SG-CA 3.2Å; C1304-C1315 WeakPolarHBondContact SG-CB 3.44Å; C1304-C1315 CovalentContact SG-SG 2.04Å; C1304-C1315 PolarHBondContact SG-SG 2.04Å |
| 1305 | R | 63.3 | Low | 64.6 | Low | 202 Ų | 202 | 76.1 Ų | 76.1 | 76% | 0.762 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 160.6 | -178.5 | -66.5 | -177.2 | 177.5 | -180 | -1.3 | 110.3 | G1307 Q1308 | R1305-G1307 PolarHBondContact O-N 2.04Å; R1305-Q1308 HydrophobicContact CB-CG 4.31Å; R1305-Q1308 VanDerWaalsContact O-CB 3.23Å; R1305-Q1308 WeakPolarHBondContact O-CB 3.41Å; R1305-Q1308 WeakPolarHBondContact O-CG 3.48Å; R1305-Q1308 PolarHBondContact O-N 3.11Å |
| 1306 | E | 56.1 | Low | 64.7 | Low | 207 Ų | 207 | 71.9 Ų | 71.9 | 97% | 0.967 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 127.7 | 169.1 | -163.2 | 168.1 | -138.3 | 0 | 0 | 109.5 | ||
| 1307 | G | 61.7 | Low | 65 | Low | 39 Ų | 39 | 69.5 Ų | 69.5 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 13.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1305 L1318 | R1305-G1307 PolarHBondContact O-N 2.04Å; G1307-L1318 WeakPolarHBondContact O-CB 3.48Å; G1307-L1318 PolarHBondContact O-N 2.75Å |
| 1308 | Q | 75.6 | Confident | 65.5 | Low | 59 Ų | 59 | 71.5 Ų | 71.5 | 28% | 0.276 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 159.5 | 178.3 | -54.7 | -169.6 | -47.8 | 0 | 0 | 113.3 | C1304 R1305 L1316 N1317 | C1304-Q1308 HydrophobicContact CB-CB 3.59Å; R1305-Q1308 HydrophobicContact CB-CG 4.31Å; R1305-Q1308 VanDerWaalsContact O-CB 3.23Å; R1305-Q1308 WeakPolarHBondContact O-CB 3.41Å; R1305-Q1308 WeakPolarHBondContact O-CG 3.48Å; R1305-Q1308 PolarHBondContact O-N 3.11Å; Q1308-L1316 CarbonylContact C-O 3.57Å; Q1308-L1316 WeakPolarHBondContact CA-O 3.4Å; Q1308-N1317 PolarHBondContact NE2-OD1 3.43Å |
| 1309 | V | 64.2 | Low | 65.7 | Low | 33 Ų | 33 | 72.6 Ų | 72.6 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 144.9 | -175 | -154.5 | 0 | 0 | 0 | 0 | 109.9 | L1316 L1318 A1329 | V1309-L1316 PolarHBondContact N-O 3.28Å; V1309-L1316 PolarHBondContact O-N 3.45Å; V1309-L1316 VanDerWaalsContact O-O 3.09Å; V1309-L1318 HydrophobicContact CG2-CB 4.46Å; V1309-L1318 HydrophobicContact CG2-CD1 4.48Å; V1309-L1318 HydrophobicContact CG2-CD2 3.25Å; V1309-L1318 HydrophobicContact CG2-CG 3.44Å; V1309-L1318 VanDerWaalsContact CG2-CG 3.44Å; V1309-A1329 HydrophobicContact CG1-CB 3.79Å; V1309-A1329 WeakPolarHBondContact CG2-O 3.28Å |
| 1310 | E | 62.7 | Low | 65.4 | Low | 44 Ų | 44 | 73.8 Ų | 73.8 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.6 | -173.1 | -156.2 | -175.9 | 142.1 | 0 | 0 | 113.7 | R1292 C1304 Q1314 | R1292-E1310 WeakPolarHBondContact CD-OE2 3.46Å; R1292-E1310 IonicContact CZ-OE2 2.84Å; R1292-E1310 IonicContact NE-OE2 3.56Å; R1292-E1310 IonicContact NH1-OE1 3.42Å; R1292-E1310 IonicContact NH1-OE2 2.83Å; R1292-E1310 PolarHBondContact NH1-OE2 2.89Å; C1304-E1310 VanDerWaalsContact SG-CB 3.6Å; E1310-Q1314 WeakPolarHBondContact CA-O 3.12Å |
| 1311 | H | 52.2 | Low | 65.1 | Low | 50 Ų | 50 | 73.5 Ų | 73.5 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 130.4 | 166.7 | -167.2 | 59.6 | 0 | 0 | 0 | 112 | G1313 Q1314 L1316 I1327 | H1311-G1313 PolarHBondContact O-N 2.95Å; H1311-G1313 VanDerWaalsContact O-N 3.16Å; H1311-Q1314 PolarHBondContact N-O 3.48Å; H1311-Q1314 PolarHBondContact O-N 3.28Å; H1311-L1316 HydrophobicContact CB-CD1 3.83Å; H1311-I1327 HydrophobicContact CB-CD1 3.63Å; H1311-I1327 HydrophobicContact CB-CG1 3.8Å; H1311-I1327 HydrophobicContact CB-CG2 4.36Å; H1311-I1327 VanDerWaalsContact CE1-CG2 3.44Å; H1311-I1327 WeakPolarHBondContact CE1-CG2 3.34Å; H1311-I1327 WeakPolarHBondContact ND1-CG2 3.35Å |
| 1312 | R | 48.5 | Very low | 65.1 | Low | 212 Ų | 212 | 71.8 Ų | 71.8 | 80% | 0.8 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 44.3 | -179.4 | -63.3 | 174.6 | -165.8 | -154.7 | -1.5 | 112.2 | Q1314 | R1312-Q1314 PolarHBondContact O-N 2.89Š|
| 1313 | G | 51.3 | Low | 65.9 | Low | 9 Ų | 9 | 69.9 Ų | 69.9 | 9% | 0.093 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 2.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1301 H1311 | R1301-G1313 WeakPolarHBondContact CD-O 3.37Å; R1301-G1313 PolarHBondContact NE-O 2.92Å; R1301-G1313 PolarHBondContact NH1-O 2.03Å; H1311-G1313 PolarHBondContact O-N 2.95Å; H1311-G1313 VanDerWaalsContact O-N 3.16Å |
| 1314 | Q | 52.7 | Low | 66.5 | Low | 114 Ų | 114 | 71.4 Ų | 71.4 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 137.1 | 170.9 | -63.2 | -168.5 | 5.5 | 0 | 0 | 110.9 | E1310 H1311 R1312 L1316 | E1310-Q1314 WeakPolarHBondContact CA-O 3.12Å; H1311-Q1314 PolarHBondContact N-O 3.48Å; H1311-Q1314 PolarHBondContact O-N 3.28Å; R1312-Q1314 PolarHBondContact O-N 2.89Å; Q1314-L1316 HydrophobicContact CB-CD2 3.96Å; Q1314-L1316 HydrophobicContact CB-CG 4.26Å |
| 1315 | C | 70.8 | Confident | 67.2 | Low | 34 Ų | 34 | 70.5 Ų | 70.5 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111.4 | 171.3 | -68.9 | 0 | 0 | 0 | 0 | 109.5 | C1304 | C1304-C1315 WeakPolarHBondContact CA-SG 3.33Å; C1304-C1315 HydrophobicContact CB-CB 3.54Å; C1304-C1315 WeakPolarHBondContact CB-SG 3.09Å; C1304-C1315 PolarHBondContact N-SG 3.18Å; C1304-C1315 WeakPolarHBondContact SG-CA 3.2Å; C1304-C1315 WeakPolarHBondContact SG-CB 3.44Å; C1304-C1315 CovalentContact SG-SG 2.04Å; C1304-C1315 PolarHBondContact SG-SG 2.04Å |
| 1316 | L | 68.5 | Low | 67.7 | Low | 25 Ų | 25 | 65.1 Ų | 65.1 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.3 | -173.1 | -52.8 | 172.9 | 0 | 0 | 0 | 107.8 | Q1308 V1309 H1311 Q1314 Q1330 | Q1308-L1316 CarbonylContact C-O 3.57Å; Q1308-L1316 WeakPolarHBondContact CA-O 3.4Å; V1309-L1316 PolarHBondContact N-O 3.28Å; V1309-L1316 PolarHBondContact O-N 3.45Å; V1309-L1316 VanDerWaalsContact O-O 3.09Å; H1311-L1316 HydrophobicContact CB-CD1 3.83Å; Q1314-L1316 HydrophobicContact CB-CD2 3.96Å; Q1314-L1316 HydrophobicContact CB-CG 4.26Å; L1316-Q1330 HydrophobicContact CB-CG 3.72Å; L1316-Q1330 HydrophobicContact CD1-CG 4.42Å |
| 1317 | N | 74.2 | Confident | 68.6 | Low | 89 Ų | 89 | 57 Ų | 57 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 143.7 | -175.9 | -65.1 | -5.4 | 0 | 0 | 0 | 111.5 | Q1308 V1319 Q1330 | Q1308-N1317 PolarHBondContact NE2-OD1 3.43Å; N1317-V1319 HydrophobicContact CB-CG1 4.04Å; N1317-V1319 PolarHBondContact O-N 3.43Å; N1317-Q1330 WeakPolarHBondContact O-CG 3.25Å; N1317-Q1330 PolarHBondContact O-NE2 2.58Å |
| 1318 | L | 79.2 | Confident | 69.1 | Low | 78 Ų | 78 | 58.7 Ų | 58.7 | 41% | 0.408 | 31% | 0.314 | S | S | . | . | trans | -60 | 128.5 | 155.4 | -78.8 | 171.4 | 0 | 0 | 0 | 106.9 | G1307 V1309 Q1330 T1332 | G1307-L1318 WeakPolarHBondContact O-CB 3.48Å; G1307-L1318 PolarHBondContact O-N 2.75Å; V1309-L1318 HydrophobicContact CG2-CB 4.46Å; V1309-L1318 HydrophobicContact CG2-CD1 4.48Å; V1309-L1318 HydrophobicContact CG2-CD2 3.25Å; V1309-L1318 HydrophobicContact CG2-CG 3.44Å; V1309-L1318 VanDerWaalsContact CG2-CG 3.44Å; L1318-Q1330 WeakPolarHBondContact CA-O 3.16Å; L1318-T1332 HydrophobicContact CB-CG2 3.95Å; L1318-T1332 HydrophobicContact CD2-CG2 3.82Å; L1318-T1332 HydrophobicContact CG-CG2 4.37Å | ||
| 1319 | V | 78.7 | Confident | 69.2 | Low | 24 Ų | 24 | 58.7 Ų | 58.7 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -133.4 | 146.7 | -174.3 | -72.3 | 0 | 0 | 0 | 0 | 111.1 | N1317 Q1330 T1332 | N1317-V1319 HydrophobicContact CB-CG1 4.04Å; N1317-V1319 PolarHBondContact O-N 3.43Å; V1319-Q1330 HydrophobicContact CG2-CB 4.22Å; V1319-Q1330 PolarHBondContact N-O 2.89Å; V1319-T1332 VanDerWaalsContact C-OG1 3.29Å; V1319-T1332 PolarHBondContact O-N 3.04Å; V1319-T1332 PolarHBondContact O-OG1 3.43Å |
| 1320 | P | 75.9 | Confident | 70 | Confident | 65 Ų | 65 | 57.6 Ų | 57.6 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | trans | -66 | 163.1 | 173.2 | 28.3 | -33.6 | 0 | 0 | 0 | 111 | S1323 T1332 | P1320-S1323 WeakPolarHBondContact O-CB 3.4Å; P1320-S1323 PolarHBondContact O-N 2.89Å; P1320-S1323 PolarHBondContact O-OG 2.81Å; P1320-T1332 VanDerWaalsContact CA-OG1 3.31Å; P1320-T1332 WeakPolarHBondContact CA-OG1 3.15Å | ||
| 1321 | P | 70.9 | Confident | 71 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.032 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 157.8 | 175.4 | -19.9 | 27.8 | 0 | 0 | 0 | 113.4 | S1323 C1342 N1350 G1353 | P1321-S1323 PolarHBondContact O-N 3.4Å; P1321-C1342 CarbonylContact C-O 3.54Å; P1321-C1342 WeakPolarHBondContact CA-O 3.04Å; P1321-C1342 WeakPolarHBondContact CB-O 3.39Å; P1321-N1350 HydrophobicContact CB-CB 3.96Å; P1321-N1350 PolarHBondContact O-ND2 2.03Å; P1321-G1353 VanDerWaalsContact CD-O 3.28Å; P1321-G1353 WeakPolarHBondContact CD-O 3.04Å |
| 1322 | D | 70.1 | Confident | 72.2 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | -12.8 | -171.1 | -54.2 | -53.1 | 0 | 0 | 0 | 116.8 | R1341 C1342 N1350 | D1322-R1341 PolarHBondContact O-NH1 2.96Å; D1322-C1342 PolarHBondContact N-O 3.03Å; D1322-N1350 WeakPolarHBondContact OD2-CB 3.32Å; D1322-N1350 PolarHBondContact OD2-ND2 2.81Å |
| 1323 | S | 80.6 | Confident | 73.5 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -61.7 | 154.9 | 169.7 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | P1320 P1321 R1341 C1342 | P1320-S1323 WeakPolarHBondContact O-CB 3.4Å; P1320-S1323 PolarHBondContact O-N 2.89Å; P1320-S1323 PolarHBondContact O-OG 2.81Å; P1321-S1323 PolarHBondContact O-N 3.4Å; S1323-R1341 CarbonylContact O-C 3.43Å; S1323-R1341 VanDerWaalsContact O-CA 3.28Å; S1323-R1341 WeakPolarHBondContact O-CA 3.09Å; S1323-C1342 PolarHBondContact O-N 2.89Å |
| 1324 | A | 76 | Confident | 74.2 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 54% | 0.537 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 140.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1340 | A1324-G1340 WeakPolarHBondContact CA-O 3.4Å |
| 1325 | C | 79 | Confident | 75.4 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.081 | 29% | 0.292 | C | S | . | . | trans | -147.4 | 168.5 | -179.4 | 58.4 | 0 | 0 | 0 | 0 | 111.2 | Q1330 C1337 G1340 R1341 C1342 | C1325-Q1330 VanDerWaalsContact CA-OE1 3.24Å; C1325-Q1330 HydrophobicContact CB-CB 4.2Å; C1325-C1337 HydrophobicContact CB-CB 4.07Å; C1325-C1337 WeakPolarHBondContact CB-SG 3.37Å; C1325-C1337 WeakPolarHBondContact SG-CA 3.04Å; C1325-C1337 WeakPolarHBondContact SG-CB 3.37Å; C1325-C1337 CovalentContact SG-SG 2.03Å; C1325-C1337 PolarHBondContact SG-SG 3.24Å; C1325-G1340 PolarHBondContact N-O 2.8Å; C1325-G1340 CarbonylContact O-C 3.53Å; C1325-G1340 VanDerWaalsContact O-CA 3.22Å; C1325-G1340 WeakPolarHBondContact O-CA 3.03Å; C1325-G1340 VanDerWaalsContact O-O 3.05Å; C1325-G1340 VanDerWaalsContact SG-C 3.52Å; C1325-R1341 WeakPolarHBondContact SG-CA 3.28Å; C1325-R1341 PolarHBondContact SG-N 2.99Å; C1325-R1341 VanDerWaalsContact SG-N 3.45Å; C1325-C1342 VanDerWaalsContact CB-SG 3.52Å; C1325-C1342 PolarHBondContact SG-N 2.75Å | ||
| 1326 | T | 73.7 | Confident | 75.7 | Confident | 89 Ų | 89 | 46.5 Ų | 46.5 | 55% | 0.546 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -115.5 | -21.1 | 171.8 | -38.7 | 0 | 0 | 0 | 0 | 112 | ||
| 1327 | I | 74.7 | Confident | 76.2 | Confident | 36 Ų | 36 | 46.2 Ų | 46.2 | 19% | 0.185 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -150.3 | 159.4 | 173.9 | 53.8 | 155.9 | 0 | 0 | 0 | 113.4 | H1311 A1329 Q1330 C1337 | H1311-I1327 HydrophobicContact CB-CD1 3.63Å; H1311-I1327 HydrophobicContact CB-CG1 3.8Å; H1311-I1327 HydrophobicContact CB-CG2 4.36Å; H1311-I1327 VanDerWaalsContact CE1-CG2 3.44Å; H1311-I1327 WeakPolarHBondContact CE1-CG2 3.34Å; H1311-I1327 WeakPolarHBondContact ND1-CG2 3.35Å; I1327-A1329 HydrophobicContact CD1-CB 3.7Å; I1327-A1329 HydrophobicContact CG1-CB 4.47Å; I1327-A1329 PolarHBondContact O-N 2.92Å; I1327-A1329 VanDerWaalsContact O-N 3.13Å; I1327-Q1330 PolarHBondContact O-N 3.16Å; I1327-C1337 PolarHBondContact N-SG 2.72Å; I1327-C1337 WeakPolarHBondContact O-CB 3.17Å |
| 1328 | N | 71.3 | Confident | 76.2 | Confident | 76 Ų | 76 | 44.9 Ų | 44.9 | 41% | 0.406 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -56 | -30.6 | -179.9 | -59.3 | 22.9 | 0 | 0 | 0 | 113.5 | Q1330 C1331 N1336 C1337 | N1328-Q1330 PolarHBondContact O-N 2.9Å; N1328-C1331 WeakPolarHBondContact O-CB 3.03Å; N1328-C1331 PolarHBondContact O-N 2.71Å; N1328-N1336 PolarHBondContact ND2-OD1 3.33Å; N1328-C1337 WeakPolarHBondContact OD1-CB 3.19Å; N1328-C1337 PolarHBondContact OD1-N 3.06Å; N1328-C1337 PolarHBondContact OD1-O 2.67Å |
| 1329 | A | 77.8 | Confident | 75.9 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -67.7 | -20.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1309 I1327 C1331 | V1309-A1329 HydrophobicContact CG1-CB 3.79Å; V1309-A1329 WeakPolarHBondContact CG2-O 3.28Å; I1327-A1329 HydrophobicContact CD1-CB 3.7Å; I1327-A1329 HydrophobicContact CG1-CB 4.47Å; I1327-A1329 PolarHBondContact O-N 2.92Å; I1327-A1329 VanDerWaalsContact O-N 3.13Å; A1329-C1331 PolarHBondContact O-N 2.9Å |
| 1330 | Q | 81.7 | Confident | 75.7 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -68.9 | -22.5 | 169.3 | -76.8 | -173 | -100 | 0 | 0 | 113.6 | L1316 N1317 L1318 V1319 C1325 I1327 N1328 T1332 | L1316-Q1330 HydrophobicContact CB-CG 3.72Å; L1316-Q1330 HydrophobicContact CD1-CG 4.42Å; N1317-Q1330 WeakPolarHBondContact O-CG 3.25Å; N1317-Q1330 PolarHBondContact O-NE2 2.58Å; L1318-Q1330 WeakPolarHBondContact CA-O 3.16Å; V1319-Q1330 HydrophobicContact CG2-CB 4.22Å; V1319-Q1330 PolarHBondContact N-O 2.89Å; C1325-Q1330 VanDerWaalsContact CA-OE1 3.24Å; C1325-Q1330 HydrophobicContact CB-CB 4.2Å; I1327-Q1330 PolarHBondContact O-N 3.16Å; N1328-Q1330 PolarHBondContact O-N 2.9Å; Q1330-T1332 PolarHBondContact O-N 3.09Å |
| 1331 | C | 82.2 | Confident | 75.9 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 114 | -163.4 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | N1328 A1329 S1335 C1342 | N1328-C1331 WeakPolarHBondContact O-CB 3.03Å; N1328-C1331 PolarHBondContact O-N 2.71Å; A1329-C1331 PolarHBondContact O-N 2.9Å; C1331-S1335 WeakPolarHBondContact CB-O 3.42Å; C1331-S1335 WeakPolarHBondContact CB-OG 3.46Å; C1331-C1342 WeakPolarHBondContact CA-SG 3.44Å; C1331-C1342 HydrophobicContact CB-CB 3.65Å; C1331-C1342 WeakPolarHBondContact CB-SG 2.99Å; C1331-C1342 WeakPolarHBondContact SG-CA 3.29Å; C1331-C1342 WeakPolarHBondContact SG-CB 3.35Å; C1331-C1342 CovalentContact SG-SG 2.04Å; C1331-C1342 PolarHBondContact SG-SG 3.44Å |
| 1332 | T | 78.7 | Confident | 76.3 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | trans | -83.5 | 168.1 | -179.1 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | L1318 V1319 P1320 Q1330 G1334 S1335 | L1318-T1332 HydrophobicContact CB-CG2 3.95Å; L1318-T1332 HydrophobicContact CD2-CG2 3.82Å; L1318-T1332 HydrophobicContact CG-CG2 4.37Å; V1319-T1332 VanDerWaalsContact C-OG1 3.29Å; V1319-T1332 PolarHBondContact O-N 3.04Å; V1319-T1332 PolarHBondContact O-OG1 3.43Å; P1320-T1332 VanDerWaalsContact CA-OG1 3.31Å; P1320-T1332 WeakPolarHBondContact CA-OG1 3.15Å; Q1330-T1332 PolarHBondContact O-N 3.09Å; T1332-G1334 VanDerWaalsContact C-N 3.28Å; T1332-G1334 PolarHBondContact O-N 3.21Å; T1332-G1334 VanDerWaalsContact O-N 3.12Å; T1332-S1335 PolarHBondContact O-N 3.37Å; T1332-S1335 PolarHBondContact O-OG 2.92Å | ||
| 1333 | S | 74.7 | Confident | 76.7 | Confident | 57 Ų | 57 | 51 Ų | 51 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 35.4 | 169 | -43.5 | 0 | 0 | 0 | 0 | 116.1 | G1353 C1355 | S1333-G1353 WeakPolarHBondContact CB-O 3.37Å; S1333-G1353 PolarHBondContact OG-O 2.93Å; S1333-C1355 PolarHBondContact O-N 3.12Å; S1333-C1355 VanDerWaalsContact O-N 3.08Å |
| 1334 | G | 66.3 | Low | 76.4 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 54% | 0.536 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 8.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | T1332 P1345 | T1332-G1334 VanDerWaalsContact C-N 3.28Å; T1332-G1334 PolarHBondContact O-N 3.21Å; T1332-G1334 VanDerWaalsContact O-N 3.12Å; G1334-P1345 VanDerWaalsContact O-CD 3.27Å; G1334-P1345 WeakPolarHBondContact O-CD 3.41Å; G1334-P1345 WeakPolarHBondContact O-CG 3.34Å |
| 1335 | S | 78.9 | Confident | 75.8 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | trans | -83.1 | 158.2 | 175.3 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | C1331 T1332 C1342 | C1331-S1335 WeakPolarHBondContact CB-O 3.42Å; C1331-S1335 WeakPolarHBondContact CB-OG 3.46Å; T1332-S1335 PolarHBondContact O-N 3.37Å; T1332-S1335 PolarHBondContact O-OG 2.92Å; S1335-C1342 WeakPolarHBondContact CB-O 3.44Å | ||
| 1336 | N | 76.2 | Confident | 75 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 32% | 0.316 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 149.4 | 177.9 | -74.6 | -67.4 | 0 | 0 | 0 | 110.2 | N1328 V1338 C1342 K1343 | N1328-N1336 PolarHBondContact ND2-OD1 3.33Å; N1336-V1338 HydrophobicContact CB-CG2 4.18Å; N1336-V1338 PolarHBondContact O-N 2.86Å; N1336-V1338 VanDerWaalsContact O-N 3.11Å; N1336-C1342 CarbonylContact O-C 3.47Å; N1336-C1342 WeakPolarHBondContact O-CA 3.02Å; N1336-K1343 PolarHBondContact N-O 3.29Å; N1336-K1343 PolarHBondContact O-N 3.36Å |
| 1337 | C | 80.2 | Confident | 74.3 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 90.8 | 179.8 | -164.8 | 0 | 0 | 0 | 0 | 110.5 | C1325 I1327 N1328 R1341 | C1325-C1337 HydrophobicContact CB-CB 4.07Å; C1325-C1337 WeakPolarHBondContact CB-SG 3.37Å; C1325-C1337 WeakPolarHBondContact SG-CA 3.04Å; C1325-C1337 WeakPolarHBondContact SG-CB 3.37Å; C1325-C1337 CovalentContact SG-SG 2.03Å; C1325-C1337 PolarHBondContact SG-SG 3.24Å; I1327-C1337 PolarHBondContact N-SG 2.72Å; I1327-C1337 WeakPolarHBondContact O-CB 3.17Å; N1328-C1337 WeakPolarHBondContact OD1-CB 3.19Å; N1328-C1337 PolarHBondContact OD1-N 3.06Å; N1328-C1337 PolarHBondContact OD1-O 2.67Å; C1337-R1341 CarbonylContact C-O 3.52Å; C1337-R1341 WeakPolarHBondContact CA-O 3.38Å |
| 1338 | V | 74.3 | Confident | 74 | Confident | 61 Ų | 61 | 56.4 Ų | 56.4 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120.7 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | N1336 G1340 R1341 K1343 | N1336-V1338 HydrophobicContact CB-CG2 4.18Å; N1336-V1338 PolarHBondContact O-N 2.86Å; N1336-V1338 VanDerWaalsContact O-N 3.11Å; V1338-G1340 VanDerWaalsContact C-N 3.3Å; V1338-G1340 PolarHBondContact O-N 2.76Å; V1338-R1341 PolarHBondContact N-O 3.45Å; V1338-R1341 PolarHBondContact O-N 2.98Å; V1338-K1343 HydrophobicContact CB-CB 4.31Å; V1338-K1343 HydrophobicContact CB-CD 4Å; V1338-K1343 HydrophobicContact CB-CG 4.34Å; V1338-K1343 HydrophobicContact CG1-CD 4.25Å; V1338-K1343 WeakPolarHBondContact O-CE 3.05Å; V1338-K1343 PolarHBondContact O-NZ 2.95Å |
| 1339 | D | 71.8 | Confident | 73.6 | Confident | 137 Ų | 137 | 56.5 Ų | 56.5 | 73% | 0.733 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 41.2 | -172.5 | -41.3 | -53.1 | 0 | 0 | 0 | 114.1 | R1341 K1343 | D1339-R1341 VanDerWaalsContact C-N 3.28Å; D1339-R1341 PolarHBondContact O-N 3.04Å; D1339-K1343 IonicContact OD2-NZ 2.68Å; D1339-K1343 PolarHBondContact OD2-NZ 2.9Å |
| 1340 | G | 74.6 | Confident | 72.8 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 15.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1324 C1325 V1338 | A1324-G1340 WeakPolarHBondContact CA-O 3.4Å; C1325-G1340 PolarHBondContact N-O 2.8Å; C1325-G1340 CarbonylContact O-C 3.53Å; C1325-G1340 VanDerWaalsContact O-CA 3.22Å; C1325-G1340 WeakPolarHBondContact O-CA 3.03Å; C1325-G1340 VanDerWaalsContact O-O 3.05Å; C1325-G1340 VanDerWaalsContact SG-C 3.52Å; V1338-G1340 VanDerWaalsContact C-N 3.3Å; V1338-G1340 PolarHBondContact O-N 2.76Å |
| 1341 | R | 80.5 | Confident | 71.7 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.7 | 167.3 | -71.7 | -175.2 | 177.4 | -92 | -0.4 | 111.6 | D1322 S1323 C1325 C1337 V1338 D1339 K1343 | D1322-R1341 PolarHBondContact O-NH1 2.96Å; S1323-R1341 CarbonylContact O-C 3.43Å; S1323-R1341 VanDerWaalsContact O-CA 3.28Å; S1323-R1341 WeakPolarHBondContact O-CA 3.09Å; C1325-R1341 WeakPolarHBondContact SG-CA 3.28Å; C1325-R1341 PolarHBondContact SG-N 2.99Å; C1325-R1341 VanDerWaalsContact SG-N 3.45Å; C1337-R1341 CarbonylContact C-O 3.52Å; C1337-R1341 WeakPolarHBondContact CA-O 3.38Å; V1338-R1341 PolarHBondContact N-O 3.45Å; V1338-R1341 PolarHBondContact O-N 2.98Å; D1339-R1341 VanDerWaalsContact C-N 3.28Å; D1339-R1341 PolarHBondContact O-N 3.04Å; R1341-K1343 HydrophobicContact CB-CG 4.39Å; R1341-K1343 PolarHBondContact O-N 2.04Å |
| 1342 | C | 79.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 69.1 | 179.2 | -70.7 | 0 | 0 | 0 | 0 | 111 | P1321 D1322 S1323 C1325 C1331 S1335 N1336 | P1321-C1342 CarbonylContact C-O 3.54Å; P1321-C1342 WeakPolarHBondContact CA-O 3.04Å; P1321-C1342 WeakPolarHBondContact CB-O 3.39Å; D1322-C1342 PolarHBondContact N-O 3.03Å; S1323-C1342 PolarHBondContact O-N 2.89Å; C1325-C1342 VanDerWaalsContact CB-SG 3.52Å; C1325-C1342 PolarHBondContact SG-N 2.75Å; C1331-C1342 WeakPolarHBondContact CA-SG 3.44Å; C1331-C1342 HydrophobicContact CB-CB 3.65Å; C1331-C1342 WeakPolarHBondContact CB-SG 2.99Å; C1331-C1342 WeakPolarHBondContact SG-CA 3.29Å; C1331-C1342 WeakPolarHBondContact SG-CB 3.35Å; C1331-C1342 CovalentContact SG-SG 2.04Å; C1331-C1342 PolarHBondContact SG-SG 3.44Å; S1335-C1342 WeakPolarHBondContact CB-O 3.44Å; N1336-C1342 CarbonylContact O-C 3.47Å; N1336-C1342 WeakPolarHBondContact O-CA 3.02Å |
| 1343 | K | 77.5 | Confident | 69.6 | Low | 75 Ų | 75 | 67.3 Ų | 67.3 | 33% | 0.326 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 144 | 177.8 | -56.9 | -174.9 | -168.7 | 165.7 | 0 | 109.7 | N1336 V1338 D1339 R1341 | N1336-K1343 PolarHBondContact N-O 3.29Å; N1336-K1343 PolarHBondContact O-N 3.36Å; V1338-K1343 HydrophobicContact CB-CB 4.31Å; V1338-K1343 HydrophobicContact CB-CD 4Å; V1338-K1343 HydrophobicContact CB-CG 4.34Å; V1338-K1343 HydrophobicContact CG1-CD 4.25Å; V1338-K1343 WeakPolarHBondContact O-CE 3.05Å; V1338-K1343 PolarHBondContact O-NZ 2.95Å; D1339-K1343 IonicContact OD2-NZ 2.68Å; D1339-K1343 PolarHBondContact OD2-NZ 2.9Å; R1341-K1343 HydrophobicContact CB-CG 4.39Å; R1341-K1343 PolarHBondContact O-N 2.04Å |
| 1344 | C | 75.7 | Confident | 69 | Low | 17 Ų | 17 | 68.4 Ų | 68.4 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 158 | 170.3 | -67.7 | 0 | 0 | 0 | 0 | 111.2 | M1348 Y1349 C1355 | C1344-M1348 HydrophobicContact CB-CB 3.88Å; C1344-M1348 WeakPolarHBondContact CB-O 3.42Å; C1344-Y1349 VanDerWaalsContact SG-C 3.5Å; C1344-C1355 WeakPolarHBondContact CA-SG 3.45Å; C1344-C1355 HydrophobicContact CB-CB 3.75Å; C1344-C1355 WeakPolarHBondContact CB-SG 3.39Å; C1344-C1355 WeakPolarHBondContact SG-CA 3.21Å; C1344-C1355 WeakPolarHBondContact SG-CB 3.38Å; C1344-C1355 CovalentContact SG-SG 2.04Å; C1344-C1355 PolarHBondContact SG-SG 3.43Å |
| 1345 | P | 63.7 | Low | 69 | Low | 44 Ų | 44 | 66.8 Ų | 66.8 | 29% | 0.286 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 158.9 | 175.4 | -22.5 | 32.6 | 0 | 0 | 0 | 112.2 | G1334 G1347 M1348 | G1334-P1345 VanDerWaalsContact O-CD 3.27Å; G1334-P1345 WeakPolarHBondContact O-CD 3.41Å; G1334-P1345 WeakPolarHBondContact O-CG 3.34Å; P1345-G1347 PolarHBondContact O-N 2.9Å; P1345-M1348 HydrophobicContact CB-SD 4.43Å; P1345-M1348 HydrophobicContact CG-SD 4.26Å; P1345-M1348 WeakPolarHBondContact O-CA 3.19Å; P1345-M1348 WeakPolarHBondContact O-CB 3.18Å; P1345-M1348 PolarHBondContact O-N 3.47Å |
| 1346 | Y | 61.7 | Low | 68.3 | Low | 199 Ų | 199 | 67.9 Ų | 67.9 | 78% | 0.78 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 136.4 | 172.8 | -87.5 | -100.8 | 0 | 0 | 0 | 110.9 | M1348 E1368 | Y1346-M1348 VanDerWaalsContact C-N 3.35Å; Y1346-E1368 HydrophobicContact CD1-CB 4.21Å; Y1346-E1368 HydrophobicContact CD1-CG 4.05Å |
| 1347 | G | 58.4 | Low | 67.4 | Low | 13 Ų | 13 | 73.2 Ų | 73.2 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 6.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1345 R1357 A1358 E1368 | P1345-G1347 PolarHBondContact O-N 2.9Å; G1347-R1357 CarbonylContact O-C 3.58Å; G1347-R1357 WeakPolarHBondContact O-CA 3Å; G1347-A1358 PolarHBondContact O-N 3.4Å; G1347-E1368 WeakPolarHBondContact CA-O 3.05Å; G1347-E1368 PolarHBondContact N-O 2.8Å |
| 1348 | M | 68.2 | Low | 66.3 | Low | 73 Ų | 73 | 73.1 Ų | 73.1 | 36% | 0.36 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 154 | -177.9 | -55 | -172.4 | 91.5 | 0 | 0 | 114.2 | C1344 P1345 Y1346 S1356 R1357 | C1344-M1348 HydrophobicContact CB-CB 3.88Å; C1344-M1348 WeakPolarHBondContact CB-O 3.42Å; P1345-M1348 HydrophobicContact CB-SD 4.43Å; P1345-M1348 HydrophobicContact CG-SD 4.26Å; P1345-M1348 WeakPolarHBondContact O-CA 3.19Å; P1345-M1348 WeakPolarHBondContact O-CB 3.18Å; P1345-M1348 PolarHBondContact O-N 3.47Å; Y1346-M1348 VanDerWaalsContact C-N 3.35Å; M1348-S1356 CarbonylContact C-O 3.55Å; M1348-S1356 WeakPolarHBondContact CA-O 3.01Å; M1348-S1356 WeakPolarHBondContact CB-O 3.42Å; M1348-R1357 HydrophobicContact CE-CG 4.34Å; M1348-R1357 HydrophobicContact CG-CG 4.39Å |
| 1349 | Y | 63.7 | Low | 65.5 | Low | 78 Ų | 78 | 75.8 Ų | 75.8 | 31% | 0.306 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 160.2 | -178.6 | 78.6 | -55.6 | 0 | 0 | 0 | 111.9 | C1344 L1351 S1356 R1357 A1358 K1359 | C1344-Y1349 VanDerWaalsContact SG-C 3.5Å; Y1349-L1351 HydrophobicContact CE1-CD1 4.38Å; Y1349-L1351 HydrophobicContact CE1-CG 4.49Å; Y1349-L1351 HydrophobicContact CE2-CD1 4.46Å; Y1349-L1351 HydrophobicContact CE2-CD2 4.38Å; Y1349-L1351 HydrophobicContact CE2-CG 3.98Å; Y1349-L1351 WeakPolarHBondContact OH-CD1 3.36Å; Y1349-S1356 VanDerWaalsContact CD1-O 3.32Å; Y1349-S1356 WeakPolarHBondContact CD1-O 3.4Å; Y1349-S1356 WeakPolarHBondContact CD1-OG 2.91Å; Y1349-S1356 WeakPolarHBondContact CE1-OG 3.26Å; Y1349-S1356 PolarHBondContact N-O 2.89Å; Y1349-S1356 PolarHBondContact O-N 2.68Å; Y1349-S1356 PolarHBondContact O-OG 3.34Å; Y1349-R1357 WeakPolarHBondContact CE1-O 3.44Å; Y1349-A1358 HydrophobicContact CD1-CB 4.41Å; Y1349-K1359 HydrophobicContact CE1-CB 4.39Å |
| 1350 | N | 62 | Low | 64.9 | Low | 44 Ų | 44 | 69.9 Ų | 69.9 | 24% | 0.235 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 115.5 | -176 | -177.3 | 11.4 | 0 | 0 | 0 | 112.3 | P1321 D1322 G1353 V1354 | P1321-N1350 HydrophobicContact CB-CB 3.96Å; P1321-N1350 PolarHBondContact O-ND2 2.03Å; D1322-N1350 WeakPolarHBondContact OD2-CB 3.32Å; D1322-N1350 PolarHBondContact OD2-ND2 2.81Å; N1350-G1353 WeakPolarHBondContact OD1-CA 3.32Å; N1350-G1353 PolarHBondContact OD1-N 3.44Å; N1350-V1354 PolarHBondContact OD1-N 3.29Å |
| 1351 | L | 57.3 | Low | 64.3 | Low | 90 Ų | 90 | 74.9 Ų | 74.9 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 117.4 | 164.9 | -90.4 | 177.4 | 0 | 0 | 0 | 109.4 | Y1349 G1353 V1354 | Y1349-L1351 HydrophobicContact CE1-CD1 4.38Å; Y1349-L1351 HydrophobicContact CE1-CG 4.49Å; Y1349-L1351 HydrophobicContact CE2-CD1 4.46Å; Y1349-L1351 HydrophobicContact CE2-CD2 4.38Å; Y1349-L1351 HydrophobicContact CE2-CG 3.98Å; Y1349-L1351 WeakPolarHBondContact OH-CD1 3.36Å; L1351-G1353 PolarHBondContact O-N 3.13Å; L1351-G1353 VanDerWaalsContact O-N 3.1Å; L1351-V1354 PolarHBondContact N-O 2.84Å; L1351-V1354 PolarHBondContact O-N 2.8Å |
| 1352 | Q | 59.3 | Low | 63.1 | Low | 201 Ų | 201 | 70.1 Ų | 70.1 | 94% | 0.939 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 36.3 | 177.2 | -64.2 | -173.4 | -26.8 | 0 | 0 | 114.5 | ||
| 1353 | G | 58.3 | Low | 62.2 | Low | 18 Ų | 18 | 72.3 Ų | 72.3 | 19% | 0.186 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 13 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1321 S1333 N1350 L1351 | P1321-G1353 VanDerWaalsContact CD-O 3.28Å; P1321-G1353 WeakPolarHBondContact CD-O 3.04Å; S1333-G1353 WeakPolarHBondContact CB-O 3.37Å; S1333-G1353 PolarHBondContact OG-O 2.93Å; N1350-G1353 WeakPolarHBondContact OD1-CA 3.32Å; N1350-G1353 PolarHBondContact OD1-N 3.44Å; L1351-G1353 PolarHBondContact O-N 3.13Å; L1351-G1353 VanDerWaalsContact O-N 3.1Å |
| 1354 | V | 61.5 | Low | 61.9 | Low | 80 Ų | 80 | 70 Ų | 70 | 49% | 0.485 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136.7 | -180 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | N1350 L1351 S1356 | N1350-V1354 PolarHBondContact OD1-N 3.29Å; L1351-V1354 PolarHBondContact N-O 2.84Å; L1351-V1354 PolarHBondContact O-N 2.8Å; V1354-S1356 PolarHBondContact O-N 3.19Å |
| 1355 | C | 67.3 | Low | 61.1 | Low | 17 Ų | 17 | 71.5 Ų | 71.5 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.5 | 176.7 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | S1333 C1344 | S1333-C1355 PolarHBondContact O-N 3.12Å; S1333-C1355 VanDerWaalsContact O-N 3.08Å; C1344-C1355 WeakPolarHBondContact CA-SG 3.45Å; C1344-C1355 HydrophobicContact CB-CB 3.75Å; C1344-C1355 WeakPolarHBondContact CB-SG 3.39Å; C1344-C1355 WeakPolarHBondContact SG-CA 3.21Å; C1344-C1355 WeakPolarHBondContact SG-CB 3.38Å; C1344-C1355 CovalentContact SG-SG 2.04Å; C1344-C1355 PolarHBondContact SG-SG 3.43Å |
| 1356 | S | 62.2 | Low | 61.6 | Low | 29 Ų | 29 | 69.8 Ų | 69.8 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 160.3 | -175.1 | 66 | 0 | 0 | 0 | 0 | 110.1 | M1348 Y1349 V1354 A1358 | M1348-S1356 CarbonylContact C-O 3.55Å; M1348-S1356 WeakPolarHBondContact CA-O 3.01Å; M1348-S1356 WeakPolarHBondContact CB-O 3.42Å; Y1349-S1356 VanDerWaalsContact CD1-O 3.32Å; Y1349-S1356 WeakPolarHBondContact CD1-O 3.4Å; Y1349-S1356 WeakPolarHBondContact CD1-OG 2.91Å; Y1349-S1356 WeakPolarHBondContact CE1-OG 3.26Å; Y1349-S1356 PolarHBondContact N-O 2.89Å; Y1349-S1356 PolarHBondContact O-N 2.68Å; Y1349-S1356 PolarHBondContact O-OG 3.34Å; V1354-S1356 PolarHBondContact O-N 3.19Å; S1356-A1358 PolarHBondContact O-N 3.23Å |
| 1357 | R | 57.9 | Low | 61.7 | Low | 171 Ų | 171 | 63.3 Ų | 63.3 | 65% | 0.645 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 128 | -175.9 | -82.7 | -171.8 | 178.4 | 155.4 | -1.1 | 113 | G1347 M1348 Y1349 K1359 | G1347-R1357 CarbonylContact O-C 3.58Å; G1347-R1357 WeakPolarHBondContact O-CA 3Å; M1348-R1357 HydrophobicContact CE-CG 4.34Å; M1348-R1357 HydrophobicContact CG-CG 4.39Å; Y1349-R1357 WeakPolarHBondContact CE1-O 3.44Å; R1357-K1359 PolarHBondContact O-N 3.27Å |
| 1358 | A | 57.4 | Low | 61.5 | Low | 18 Ų | 18 | 68.2 Ų | 68.2 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | trans | -51.2 | 114.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1347 Y1349 S1356 S1360 E1370 E1371 | G1347-A1358 PolarHBondContact O-N 3.4Å; Y1349-A1358 HydrophobicContact CD1-CB 4.41Å; S1356-A1358 PolarHBondContact O-N 3.23Å; A1358-S1360 PolarHBondContact O-N 2.74Å; A1358-E1370 HydrophobicContact CB-CB 3.98Å; A1358-E1370 HydrophobicContact CB-CG 3.72Å; A1358-E1370 CarbonylContact O-C 3.51Å; A1358-E1370 WeakPolarHBondContact O-CA 3.46Å; A1358-E1371 PolarHBondContact O-N 2.83Å | ||
| 1359 | K | 58 | Low | 61.1 | Low | 117 Ų | 117 | 67 Ų | 67 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 101.5 | 178.8 | -84.6 | -174.1 | 170.1 | -177.5 | 0 | 110.7 | Y1349 R1357 E1371 T1373 | Y1349-K1359 HydrophobicContact CE1-CB 4.39Å; R1357-K1359 PolarHBondContact O-N 3.27Å; K1359-E1371 CarbonylContact C-O 3.46Å; K1359-E1371 WeakPolarHBondContact CA-O 3.07Å; K1359-E1371 WeakPolarHBondContact CE-OE2 3.06Å; K1359-E1371 IonicContact NZ-OE2 3.5Å; K1359-T1373 HydrophobicContact CB-CG2 3.64Å; K1359-T1373 HydrophobicContact CD-CG2 3.82Å; K1359-T1373 HydrophobicContact CG-CG2 3.67Å |
| 1360 | S | 58 | Low | 61.1 | Low | 13 Ų | 13 | 65.4 Ų | 65.4 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.1 | -173.3 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | A1358 S1365 E1371 C1372 T1373 C1383 | A1358-S1360 PolarHBondContact O-N 2.74Å; S1360-S1365 WeakPolarHBondContact CB-O 3.44Å; S1360-S1365 PolarHBondContact OG-O 2.97Å; S1360-E1371 PolarHBondContact N-O 3.29Å; S1360-C1372 CarbonylContact O-C 3.52Å; S1360-C1372 WeakPolarHBondContact O-CA 3.31Å; S1360-T1373 PolarHBondContact O-N 3.14Å; S1360-T1373 PolarHBondContact O-OG1 2.89Å; S1360-C1383 VanDerWaalsContact CB-SG 3.56Å |
| 1361 | R | 63.3 | Low | 61.1 | Low | 137 Ų | 137 | 67.9 Ų | 67.9 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 163.2 | -177.7 | -84.3 | -167.2 | 177.8 | 126.9 | 2.3 | 112 | G1363 G1364 D1374 C1383 | R1361-G1363 PolarHBondContact O-N 3.07Å; R1361-G1363 VanDerWaalsContact O-N 3.12Å; R1361-G1364 PolarHBondContact O-N 2.04Å; R1361-D1374 IonicContact NE-OD2 3.65Å; R1361-C1383 WeakPolarHBondContact O-CB 3.28Å |
| 1362 | P | 55.1 | Low | 61.4 | Low | 39 Ų | 39 | 65 Ų | 65 | 25% | 0.253 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 119.6 | 170.5 | -21.1 | 29.1 | 0 | 0 | 0 | 111.8 | D1374 C1385 | P1362-D1374 HydrophobicContact CG-CB 3.88Å; P1362-C1385 HydrophobicContact CB-CB 3.49Å; P1362-C1385 VanDerWaalsContact CB-CB 3.49Å; P1362-C1385 VanDerWaalsContact CB-SG 3.6Å; P1362-C1385 HydrophobicContact CG-CB 4.46Å |
| 1363 | G | 59.1 | Low | 61.7 | Low | 46 Ų | 46 | 56.8 Ų | 56.8 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.5 | -18.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1361 R1382 C1383 | R1361-G1363 PolarHBondContact O-N 3.07Å; R1361-G1363 VanDerWaalsContact O-N 3.12Å; G1363-R1382 WeakPolarHBondContact O-CG 3.47Å; G1363-C1383 CarbonylContact C-O 3.57Å; G1363-C1383 VanDerWaalsContact CA-O 3.24Å; G1363-C1383 WeakPolarHBondContact CA-O 3.3Å; G1363-C1383 PolarHBondContact N-O 2.77Å |
| 1364 | G | 71.4 | Confident | 61.5 | Low | 26 Ų | 26 | 60.9 Ų | 60.9 | 27% | 0.268 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -79.5 | 175 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1361 R1382 C1383 | R1361-G1364 PolarHBondContact O-N 2.04Å; G1364-R1382 CarbonylContact O-C 3.47Å; G1364-R1382 VanDerWaalsContact O-CA 3.32Å; G1364-R1382 WeakPolarHBondContact O-CA 3.42Å; G1364-R1382 WeakPolarHBondContact O-CG 3.34Å; G1364-C1383 PolarHBondContact O-N 2.87Å |
| 1365 | S | 59.2 | Low | 61.3 | Low | 49 Ų | 49 | 63.6 Ų | 63.6 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -68.6 | 153.8 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | S1360 A1367 E1370 G1381 | S1360-S1365 WeakPolarHBondContact CB-O 3.44Å; S1360-S1365 PolarHBondContact OG-O 2.97Å; S1365-A1367 PolarHBondContact OG-N 2.74Å; S1365-E1370 VanDerWaalsContact C-OE2 3.28Å; S1365-E1370 VanDerWaalsContact CB-OE1 3.24Å; S1365-E1370 WeakPolarHBondContact CB-OE1 3.34Å; S1365-E1370 WeakPolarHBondContact CB-OE2 3.49Å; S1365-E1370 PolarHBondContact OG-OE1 3.46Å; S1365-E1370 PolarHBondContact OG-OE2 3.35Å; S1365-G1381 WeakPolarHBondContact CA-O 3.38Å |
| 1366 | C | 73.9 | Confident | 60.9 | Low | 7 Ų | 7 | 63.4 Ų | 63.4 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | trans | -137.6 | 9.1 | 157.5 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | E1368 G1369 E1370 C1378 G1381 R1382 | C1366-E1368 VanDerWaalsContact C-N 3.25Å; C1366-E1368 PolarHBondContact O-N 3.32Å; C1366-G1369 PolarHBondContact O-N 3.21Å; C1366-E1370 VanDerWaalsContact C-OE2 3.24Å; C1366-E1370 WeakPolarHBondContact CA-OE2 3.44Å; C1366-E1370 PolarHBondContact N-OE2 3.2Å; C1366-C1378 HydrophobicContact CB-CB 3.68Å; C1366-C1378 WeakPolarHBondContact CB-SG 3.49Å; C1366-C1378 WeakPolarHBondContact SG-CA 3.19Å; C1366-C1378 WeakPolarHBondContact SG-CB 3.36Å; C1366-C1378 CovalentContact SG-SG 2.03Å; C1366-C1378 PolarHBondContact SG-SG 3.5Å; C1366-G1381 PolarHBondContact N-O 3.2Å; C1366-R1382 PolarHBondContact SG-N 3.46Å | ||
| 1367 | A | 63.3 | Low | 61.2 | Low | 64 Ų | 64 | 68.1 Ų | 68.1 | 53% | 0.529 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -33.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1365 E1370 G1381 | S1365-A1367 PolarHBondContact OG-N 2.74Å; A1367-E1370 PolarHBondContact N-OE2 2.92Å; A1367-G1381 PolarHBondContact N-O 3.32Å |
| 1368 | E | 55.1 | Low | 61.7 | Low | 115 Ų | 115 | 63.3 Ų | 63.3 | 54% | 0.537 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 25.3 | -178.1 | -60.9 | -62.1 | 143.8 | 0 | 0 | 112.2 | Y1346 G1347 C1366 E1370 | Y1346-E1368 HydrophobicContact CD1-CB 4.21Å; Y1346-E1368 HydrophobicContact CD1-CG 4.05Å; G1347-E1368 WeakPolarHBondContact CA-O 3.05Å; G1347-E1368 PolarHBondContact N-O 2.8Å; C1366-E1368 VanDerWaalsContact C-N 3.25Å; C1366-E1368 PolarHBondContact O-N 3.32Å; E1368-E1370 PolarHBondContact N-OE2 2.89Å |
| 1369 | G | 59.2 | Low | 61.9 | Low | 49 Ų | 49 | 66.5 Ų | 66.5 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 86.6 | 25.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C1366 | C1366-G1369 PolarHBondContact O-N 3.21Š|
| 1370 | E | 64.6 | Low | 62.2 | Low | 44 Ų | 44 | 68.8 Ų | 68.8 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | trans | -77.5 | 138.3 | -179.9 | -50.2 | 133.5 | 102.1 | 0 | 0 | 111.5 | A1358 S1365 C1366 A1367 E1368 | A1358-E1370 HydrophobicContact CB-CB 3.98Å; A1358-E1370 HydrophobicContact CB-CG 3.72Å; A1358-E1370 CarbonylContact O-C 3.51Å; A1358-E1370 WeakPolarHBondContact O-CA 3.46Å; S1365-E1370 VanDerWaalsContact C-OE2 3.28Å; S1365-E1370 VanDerWaalsContact CB-OE1 3.24Å; S1365-E1370 WeakPolarHBondContact CB-OE1 3.34Å; S1365-E1370 WeakPolarHBondContact CB-OE2 3.49Å; S1365-E1370 PolarHBondContact OG-OE1 3.46Å; S1365-E1370 PolarHBondContact OG-OE2 3.35Å; C1366-E1370 VanDerWaalsContact C-OE2 3.24Å; C1366-E1370 WeakPolarHBondContact CA-OE2 3.44Å; C1366-E1370 PolarHBondContact N-OE2 3.2Å; A1367-E1370 PolarHBondContact N-OE2 2.92Å; E1368-E1370 PolarHBondContact N-OE2 2.89Å | ||
| 1371 | E | 62.4 | Low | 62.5 | Low | 96 Ų | 96 | 69.4 Ų | 69.4 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 114 | -178.9 | -178.3 | 175.4 | -102.9 | 0 | 0 | 110.4 | A1358 K1359 S1360 | A1358-E1371 PolarHBondContact O-N 2.83Å; K1359-E1371 CarbonylContact C-O 3.46Å; K1359-E1371 WeakPolarHBondContact CA-O 3.07Å; K1359-E1371 WeakPolarHBondContact CE-OE2 3.06Å; K1359-E1371 IonicContact NZ-OE2 3.5Å; S1360-E1371 PolarHBondContact N-O 3.29Å |
| 1372 | C | 63.4 | Low | 62.2 | Low | 30 Ų | 30 | 70.3 Ų | 70.3 | 20% | 0.203 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 140.6 | -178.7 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | S1360 S1376 C1378 C1383 | S1360-C1372 CarbonylContact O-C 3.52Å; S1360-C1372 WeakPolarHBondContact O-CA 3.31Å; C1372-S1376 WeakPolarHBondContact CB-O 3.06Å; C1372-C1378 VanDerWaalsContact SG-CA 3.6Å; C1372-C1378 PolarHBondContact SG-N 2.76Å; C1372-C1383 WeakPolarHBondContact CA-SG 3.27Å; C1372-C1383 HydrophobicContact CB-CB 3.81Å; C1372-C1383 WeakPolarHBondContact CB-SG 3.47Å; C1372-C1383 WeakPolarHBondContact SG-CA 3.44Å; C1372-C1383 WeakPolarHBondContact SG-CB 3.37Å; C1372-C1383 CovalentContact SG-SG 2.04Å; C1372-C1383 PolarHBondContact SG-SG 2.68Å |
| 1373 | T | 64 | Low | 62.7 | Low | 28 Ų | 28 | 68.5 Ų | 68.5 | 17% | 0.172 | 39% | 0.393 | C | S | . | . | trans | -122.1 | 176.7 | -176.1 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | K1359 S1360 N1375 S1376 | K1359-T1373 HydrophobicContact CB-CG2 3.64Å; K1359-T1373 HydrophobicContact CD-CG2 3.82Å; K1359-T1373 HydrophobicContact CG-CG2 3.67Å; S1360-T1373 PolarHBondContact O-N 3.14Å; S1360-T1373 PolarHBondContact O-OG1 2.89Å; T1373-N1375 VanDerWaalsContact C-N 3.32Å; T1373-N1375 PolarHBondContact O-N 2.89Å; T1373-S1376 WeakPolarHBondContact O-CB 3.47Å; T1373-S1376 PolarHBondContact O-N 2.8Å; T1373-S1376 PolarHBondContact O-OG 2.97Å | ||
| 1374 | D | 55.4 | Low | 62.7 | Low | 104 Ų | 104 | 68.4 Ų | 68.4 | 56% | 0.556 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 46 | 173.9 | -48.4 | -30.1 | 0 | 0 | 0 | 113.2 | R1361 P1362 S1376 | R1361-D1374 IonicContact NE-OD2 3.65Å; P1362-D1374 HydrophobicContact CG-CB 3.88Å; D1374-S1376 PolarHBondContact O-N 3.21Å |
| 1375 | N | 56 | Low | 61.7 | Low | 137 Ų | 137 | 69.3 Ų | 69.3 | 73% | 0.733 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 25 | -174.5 | -73.8 | -13.7 | 0 | 0 | 0 | 115.5 | T1373 V1386 | T1373-N1375 VanDerWaalsContact C-N 3.32Å; T1373-N1375 PolarHBondContact O-N 2.89Å; N1375-V1386 HydrophobicContact CB-CG2 3.88Å |
| 1376 | S | 59.5 | Low | 61.4 | Low | 12 Ų | 12 | 70.9 Ų | 70.9 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 154.7 | 161 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | C1372 T1373 D1374 V1384 | C1372-S1376 WeakPolarHBondContact CB-O 3.06Å; T1373-S1376 WeakPolarHBondContact O-CB 3.47Å; T1373-S1376 PolarHBondContact O-N 2.8Å; T1373-S1376 PolarHBondContact O-OG 2.97Å; D1374-S1376 PolarHBondContact O-N 3.21Å; S1376-V1384 WeakPolarHBondContact CA-O 3.42Å; S1376-V1384 WeakPolarHBondContact CB-O 3.37Å |
| 1377 | Y | 68 | Low | 59.8 | Low | 129 Ų | 129 | 82.9 Ų | 82.9 | 51% | 0.506 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 156.3 | 173.7 | 65.4 | -84.7 | 0 | 0 | 0 | 109.8 | L1379 C1383 V1384 | Y1377-L1379 HydrophobicContact CD2-CB 4.39Å; Y1377-L1379 HydrophobicContact CE2-CB 3.97Å; Y1377-L1379 HydrophobicContact CE2-CD1 4.33Å; Y1377-L1379 HydrophobicContact CE2-CD2 4.37Å; Y1377-L1379 HydrophobicContact CE2-CG 4.46Å; Y1377-L1379 PolarHBondContact O-N 2.65Å; Y1377-C1383 WeakPolarHBondContact O-CA 3.27Å; Y1377-V1384 HydrophobicContact CD1-CG2 4.38Å; Y1377-V1384 HydrophobicContact CD2-CG2 4.44Å; Y1377-V1384 HydrophobicContact CE1-CG2 3.95Å; Y1377-V1384 HydrophobicContact CE2-CG2 4.02Å; Y1377-V1384 PolarHBondContact N-O 3.22Å; Y1377-V1384 PolarHBondContact O-N 3.38Å |
| 1378 | C | 68.4 | Low | 58.6 | Low | 69 Ų | 69 | 83.2 Ų | 83.2 | 47% | 0.466 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 122.7 | -178.4 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | C1366 C1372 | C1366-C1378 HydrophobicContact CB-CB 3.68Å; C1366-C1378 WeakPolarHBondContact CB-SG 3.49Å; C1366-C1378 WeakPolarHBondContact SG-CA 3.19Å; C1366-C1378 WeakPolarHBondContact SG-CB 3.36Å; C1366-C1378 CovalentContact SG-SG 2.03Å; C1366-C1378 PolarHBondContact SG-SG 3.5Å; C1372-C1378 VanDerWaalsContact SG-CA 3.6Å; C1372-C1378 PolarHBondContact SG-N 2.76Å |
| 1379 | L | 61.7 | Low | 57.7 | Low | 86 Ų | 86 | 83 Ų | 83 | 45% | 0.45 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 122.4 | 174.3 | -171.7 | 69.1 | 0 | 0 | 0 | 108.8 | Y1377 G1381 R1382 V1384 | Y1377-L1379 HydrophobicContact CD2-CB 4.39Å; Y1377-L1379 HydrophobicContact CE2-CB 3.97Å; Y1377-L1379 HydrophobicContact CE2-CD1 4.33Å; Y1377-L1379 HydrophobicContact CE2-CD2 4.37Å; Y1377-L1379 HydrophobicContact CE2-CG 4.46Å; Y1377-L1379 PolarHBondContact O-N 2.65Å; L1379-G1381 VanDerWaalsContact C-N 3.27Å; L1379-G1381 PolarHBondContact O-N 2.77Å; L1379-G1381 VanDerWaalsContact O-N 3.16Å; L1379-R1382 PolarHBondContact N-O 3.12Å; L1379-R1382 PolarHBondContact O-N 3.26Å; L1379-V1384 HydrophobicContact CB-CG2 3.86Å; L1379-V1384 HydrophobicContact CD2-CG2 4.23Å |
| 1380 | D | 64.6 | Low | 56.5 | Low | 165 Ų | 165 | 87.5 Ų | 87.5 | 88% | 0.882 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.9 | 48 | -179.4 | -62.1 | -22.2 | 0 | 0 | 0 | 114.3 | R1382 | D1380-R1382 VanDerWaalsContact C-N 3.27Å; D1380-R1382 PolarHBondContact O-N 3.01Å |
| 1381 | G | 64 | Low | 55.1 | Low | 25 Ų | 25 | 91.4 Ų | 91.4 | 26% | 0.258 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 8.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1365 C1366 A1367 L1379 | S1365-G1381 WeakPolarHBondContact CA-O 3.38Å; C1366-G1381 PolarHBondContact N-O 3.2Å; A1367-G1381 PolarHBondContact N-O 3.32Å; L1379-G1381 VanDerWaalsContact C-N 3.27Å; L1379-G1381 PolarHBondContact O-N 2.77Å; L1379-G1381 VanDerWaalsContact O-N 3.16Å |
| 1382 | R | 58 | Low | 53.5 | Low | 157 Ų | 157 | 94.1 Ų | 94.1 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.8 | 172.6 | -167.8 | 175.2 | -74.4 | -159.3 | -4.6 | 111.6 | G1363 G1364 C1366 L1379 D1380 V1384 | G1363-R1382 WeakPolarHBondContact O-CG 3.47Å; G1364-R1382 CarbonylContact O-C 3.47Å; G1364-R1382 VanDerWaalsContact O-CA 3.32Å; G1364-R1382 WeakPolarHBondContact O-CA 3.42Å; G1364-R1382 WeakPolarHBondContact O-CG 3.34Å; C1366-R1382 PolarHBondContact SG-N 3.46Å; L1379-R1382 PolarHBondContact N-O 3.12Å; L1379-R1382 PolarHBondContact O-N 3.26Å; D1380-R1382 VanDerWaalsContact C-N 3.27Å; D1380-R1382 PolarHBondContact O-N 3.01Å; R1382-V1384 PolarHBondContact O-N 3.37Å |
| 1383 | C | 64.5 | Low | 52.4 | Low | 0 Ų | 0 | 97.9 Ų | 97.9 | 0% | 0 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 124.3 | 164.9 | -65.5 | 0 | 0 | 0 | 0 | 109.1 | S1360 R1361 G1363 G1364 C1372 Y1377 | S1360-C1383 VanDerWaalsContact CB-SG 3.56Å; R1361-C1383 WeakPolarHBondContact O-CB 3.28Å; G1363-C1383 CarbonylContact C-O 3.57Å; G1363-C1383 VanDerWaalsContact CA-O 3.24Å; G1363-C1383 WeakPolarHBondContact CA-O 3.3Å; G1363-C1383 PolarHBondContact N-O 2.77Å; G1364-C1383 PolarHBondContact O-N 2.87Å; C1372-C1383 WeakPolarHBondContact CA-SG 3.27Å; C1372-C1383 HydrophobicContact CB-CB 3.81Å; C1372-C1383 WeakPolarHBondContact CB-SG 3.47Å; C1372-C1383 WeakPolarHBondContact SG-CA 3.44Å; C1372-C1383 WeakPolarHBondContact SG-CB 3.37Å; C1372-C1383 CovalentContact SG-SG 2.04Å; C1372-C1383 PolarHBondContact SG-SG 2.68Å; Y1377-C1383 WeakPolarHBondContact O-CA 3.27Å |
| 1384 | V | 60.1 | Low | 51.5 | Low | 44 Ų | 44 | 101.3 Ų | 101.3 | 27% | 0.267 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.2 | -178.5 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | S1376 Y1377 L1379 R1382 | S1376-V1384 WeakPolarHBondContact CA-O 3.42Å; S1376-V1384 WeakPolarHBondContact CB-O 3.37Å; Y1377-V1384 HydrophobicContact CD1-CG2 4.38Å; Y1377-V1384 HydrophobicContact CD2-CG2 4.44Å; Y1377-V1384 HydrophobicContact CE1-CG2 3.95Å; Y1377-V1384 HydrophobicContact CE2-CG2 4.02Å; Y1377-V1384 PolarHBondContact N-O 3.22Å; Y1377-V1384 PolarHBondContact O-N 3.38Å; L1379-V1384 HydrophobicContact CB-CG2 3.86Å; L1379-V1384 HydrophobicContact CD2-CG2 4.23Å; R1382-V1384 PolarHBondContact O-N 3.37Å |
| 1385 | C | 50.8 | Low | 51.4 | Low | 45 Ų | 45 | 98.9 Ų | 98.9 | 30% | 0.304 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 131.7 | -179.8 | -153.8 | 0 | 0 | 0 | 0 | 111.1 | P1362 R1387 T1389 | P1362-C1385 HydrophobicContact CB-CB 3.49Å; P1362-C1385 VanDerWaalsContact CB-CB 3.49Å; P1362-C1385 VanDerWaalsContact CB-SG 3.6Å; P1362-C1385 HydrophobicContact CG-CB 4.46Å; C1385-R1387 PolarHBondContact O-N 3.37Å; C1385-T1389 PolarHBondContact SG-OG1 3.02Å |
| 1386 | V | 52.6 | Low | 51.8 | Low | 82 Ų | 82 | 95.1 Ų | 95.1 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | trans | -59.7 | 134.1 | 155.5 | -64.8 | 0 | 0 | 0 | 0 | 108.3 | N1375 G1388 | N1375-V1386 HydrophobicContact CB-CG2 3.88Å; V1386-G1388 PolarHBondContact O-N 3.48Å | ||
| 1387 | R | 40.2 | Very low | 51.9 | Low | 260 Ų | 260 | 95 Ų | 95 | 98% | 0.981 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -46.8 | 108.9 | -162 | -66.3 | 173.8 | 171.4 | 166.6 | -4 | 113.8 | C1385 | C1385-R1387 PolarHBondContact O-N 3.37Š|
| 1388 | G | 38.7 | Very low | 51.5 | Low | 71 Ų | 71 | 93.2 Ų | 93.2 | 73% | 0.732 | 51% | 0.505 | S | S | * | . | trans | 166.6 | -17.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 124 | V1386 | V1386-G1388 PolarHBondContact O-N 3.48Š| ||
| 1389 | T | 34.7 | Very low | 51.4 | Low | 110 Ų | 110 | 91.1 Ų | 91.1 | 68% | 0.675 | 49% | 0.491 | S | S | * | . | trans | -130.6 | 164 | -160.7 | 53.5 | 0 | 0 | 0 | 0 | 117.5 | C1385 | C1385-T1389 PolarHBondContact SG-OG1 3.02Š| ||
| 1390 | V | 35.9 | Very low | 51.4 | Low | 144 Ų | 144 | 93.6 Ų | 93.6 | 87% | 0.873 | 50% | 0.503 | S | S | * | . | trans | -146.5 | 164 | -166 | -162.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1391 | L | 34.3 | Very low | 51.3 | Low | 125 Ų | 125 | 86 Ų | 86 | 65% | 0.654 | 46% | 0.463 | S | S | * | . | trans | -145.4 | 173.1 | -171.5 | -146.7 | 80.3 | 0 | 0 | 0 | 115.9 | ||||
| 1392 | H | 29.4 | Very low | 50.9 | Low | 153 Ų | 153 | 85.9 Ų | 85.9 | 71% | 0.708 | 46% | 0.462 | S | S | * | . | trans | -150.7 | 153.4 | -171.1 | 179 | 62.2 | 0 | 0 | 0 | 112.2 | ||||
| 1393 | N | 38.6 | Very low | 50.6 | Low | 110 Ų | 110 | 85 Ų | 85 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | trans | -167.2 | 166.6 | -173.7 | -125.1 | 1.3 | 0 | 0 | 0 | 117.2 | ||||
| 1394 | Q | 45.1 | Very low | 49.5 | Very low | 100 Ų | 100 | 93.1 Ų | 93.1 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 170 | 173.6 | -63.4 | -158.2 | -5.5 | 0 | 0 | 114.2 | E1406 | Q1394-E1406 CarbonylContact C-O 3.55Å; Q1394-E1406 WeakPolarHBondContact CA-O 3.18Å; Q1394-E1406 HydrophobicContact CG-CB 3.94Å; Q1394-E1406 PolarHBondContact NE2-OE1 2.89Å; Q1394-E1406 PolarHBondContact NE2-OE2 2.92Å |
| 1395 | L | 54.2 | Low | 49.1 | Very low | 52 Ų | 52 | 94 Ų | 94 | 27% | 0.272 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156.5 | -167.5 | -85.2 | 169.2 | 0 | 0 | 0 | 116.6 | I1400 I1405 E1406 C1407 G1408 | L1395-I1400 VanDerWaalsContact CD1-O 3.23Å; L1395-I1400 WeakPolarHBondContact CD1-O 3.28Å; L1395-I1405 HydrophobicContact CB-CG2 4.14Å; L1395-I1405 HydrophobicContact CD1-CB 4.16Å; L1395-I1405 HydrophobicContact CD1-CD1 4.34Å; L1395-I1405 HydrophobicContact CD1-CG2 3.54Å; L1395-I1405 HydrophobicContact CG-CG2 3.6Å; L1395-E1406 PolarHBondContact N-O 2.79Å; L1395-C1407 CarbonylContact O-C 3.6Å; L1395-C1407 WeakPolarHBondContact O-CA 2.99Å; L1395-G1408 PolarHBondContact O-N 2.88Å |
| 1396 | P | 63.8 | Low | 49.2 | Very low | 58 Ų | 58 | 97.2 Ų | 97.2 | 38% | 0.377 | 53% | 0.53 | S | S | . | . | trans | -93.6 | 177.2 | -178.4 | 37.6 | -37.8 | 0 | 0 | 0 | 116 | S1399 C1418 | P1396-S1399 WeakPolarHBondContact CD-OG 3.05Å; P1396-S1399 WeakPolarHBondContact O-CB 3.21Å; P1396-S1399 PolarHBondContact O-N 2.87Å; P1396-S1399 PolarHBondContact O-OG 3.25Å; P1396-C1418 VanDerWaalsContact O-CB 3.29Å; P1396-C1418 WeakPolarHBondContact O-CB 3.3Å | ||
| 1397 | P | 62.4 | Low | 49.7 | Very low | 11 Ų | 11 | 94.7 Ų | 94.7 | 7% | 0.071 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 151.9 | 176.4 | -26 | 35.2 | 0 | 0 | 0 | 115.7 | S1399 S1411 C1418 N1429 | P1397-S1399 PolarHBondContact O-N 2.66Å; P1397-S1411 VanDerWaalsContact CA-OG 3.29Å; P1397-S1411 WeakPolarHBondContact CA-OG 3.33Å; P1397-S1411 WeakPolarHBondContact CG-OG 3.27Å; P1397-C1418 CarbonylContact C-O 3.47Å; P1397-C1418 WeakPolarHBondContact CA-O 3.41Å; P1397-N1429 WeakPolarHBondContact CG-O 3.37Å |
| 1398 | D | 60.5 | Low | 51 | Low | 90 Ų | 90 | 83.6 Ų | 83.6 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 13.3 | -172.3 | -58.4 | -45.9 | 0 | 0 | 0 | 115.3 | C1418 S1426 | D1398-C1418 WeakPolarHBondContact CA-O 3.48Å; D1398-C1418 PolarHBondContact N-O 3.14Å; D1398-S1426 WeakPolarHBondContact OD2-CB 3.24Å |
| 1399 | S | 66.1 | Low | 52.2 | Low | 25 Ų | 25 | 82.1 Ų | 82.1 | 18% | 0.175 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -92.7 | 161.1 | 175.1 | 81.9 | 0 | 0 | 0 | 0 | 113 | P1396 P1397 C1401 V1417 C1418 | P1396-S1399 WeakPolarHBondContact CD-OG 3.05Å; P1396-S1399 WeakPolarHBondContact O-CB 3.21Å; P1396-S1399 PolarHBondContact O-N 2.87Å; P1396-S1399 PolarHBondContact O-OG 3.25Å; P1397-S1399 PolarHBondContact O-N 2.66Å; S1399-C1401 PolarHBondContact O-N 2.86Å; S1399-V1417 WeakPolarHBondContact O-CA 3.31Å; S1399-C1418 PolarHBondContact O-N 3.26Å |
| 1400 | I | 60.7 | Low | 53.5 | Low | 138 Ų | 138 | 79.7 Ų | 79.7 | 71% | 0.708 | 46% | 0.464 | S | S | * | . | B | Isolated β-bridge | trans | -84.3 | 105.6 | -171.1 | -50.9 | 175.8 | 0 | 0 | 0 | 110.2 | L1395 N1416 | L1395-I1400 VanDerWaalsContact CD1-O 3.23Å; L1395-I1400 WeakPolarHBondContact CD1-O 3.28Å; I1400-N1416 CarbonylContact C-O 3.45Å; I1400-N1416 WeakPolarHBondContact CA-O 3.38Å; I1400-N1416 WeakPolarHBondContact CG2-O 3.41Å |
| 1401 | C | 63 | Low | 55.1 | Low | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.034 | 42% | 0.423 | C | S | . | . | trans | -88.4 | 158.7 | 178.1 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | S1399 C1413 N1416 V1417 | S1399-C1401 PolarHBondContact O-N 2.86Å; C1401-C1413 HydrophobicContact CB-CB 3.91Å; C1401-C1413 WeakPolarHBondContact CB-SG 3.49Å; C1401-C1413 WeakPolarHBondContact SG-CA 3.44Å; C1401-C1413 WeakPolarHBondContact SG-CB 3.47Å; C1401-C1413 CovalentContact SG-SG 2.03Å; C1401-C1413 PolarHBondContact SG-SG 3.01Å; C1401-N1416 PolarHBondContact N-O 2.81Å; C1401-N1416 WeakPolarHBondContact O-CA 3.16Å; C1401-N1416 WeakPolarHBondContact O-CB 3.35Å; C1401-V1417 VanDerWaalsContact SG-C 3.6Å; C1401-V1417 PolarHBondContact SG-N 2.03Å; C1401-V1417 VanDerWaalsContact SG-N 3.4Å | ||
| 1402 | G | 54.5 | Low | 56.6 | Low | 23 Ų | 23 | 71.6 Ų | 71.6 | 24% | 0.237 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -147.1 | 168.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | M1404 I1405 | G1402-M1404 PolarHBondContact O-N 3.22Å; G1402-I1405 PolarHBondContact O-N 2.99Å |
| 1403 | P | 51.7 | Low | 58.5 | Low | 139 Ų | 139 | 67.5 Ų | 67.5 | 90% | 0.903 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 13.7 | -164.7 | 27.9 | -36.9 | 0 | 0 | 0 | 116.7 | ||
| 1404 | M | 42.2 | Very low | 59.9 | Low | 170 Ų | 170 | 65.5 Ų | 65.5 | 84% | 0.837 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.7 | 7.1 | 174.3 | -73.9 | -77.3 | -167.5 | 0 | 0 | 112.3 | G1402 | G1402-M1404 PolarHBondContact O-N 3.22Š|
| 1405 | I | 50.9 | Low | 60.7 | Low | 64 Ų | 64 | 68 Ų | 68 | 33% | 0.328 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -139.8 | 111.8 | -172.9 | -43.1 | 177.6 | 0 | 0 | 0 | 109.4 | L1395 G1402 | L1395-I1405 HydrophobicContact CB-CG2 4.14Å; L1395-I1405 HydrophobicContact CD1-CB 4.16Å; L1395-I1405 HydrophobicContact CD1-CD1 4.34Å; L1395-I1405 HydrophobicContact CD1-CG2 3.54Å; L1395-I1405 HydrophobicContact CG-CG2 3.6Å; G1402-I1405 PolarHBondContact O-N 2.99Å |
| 1406 | E | 54.3 | Low | 60.8 | Low | 112 Ų | 112 | 70.3 Ų | 70.3 | 52% | 0.523 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 157.8 | -179 | -63.3 | 164.1 | -108.8 | 0 | 0 | 112.7 | Q1394 L1395 | Q1394-E1406 CarbonylContact C-O 3.55Å; Q1394-E1406 WeakPolarHBondContact CA-O 3.18Å; Q1394-E1406 HydrophobicContact CG-CB 3.94Å; Q1394-E1406 PolarHBondContact NE2-OE1 2.89Å; Q1394-E1406 PolarHBondContact NE2-OE2 2.92Å; L1395-E1406 PolarHBondContact N-O 2.79Å |
| 1407 | C | 62.5 | Low | 60.8 | Low | 28 Ų | 28 | 70 Ų | 70 | 19% | 0.189 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.9 | 175.3 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | L1395 S1411 C1413 C1418 | L1395-C1407 CarbonylContact O-C 3.6Å; L1395-C1407 WeakPolarHBondContact O-CA 2.99Å; C1407-S1411 VanDerWaalsContact CB-O 3.28Å; C1407-S1411 WeakPolarHBondContact CB-O 3.26Å; C1407-C1413 VanDerWaalsContact SG-CB 3.58Å; C1407-C1418 HydrophobicContact CB-CB 3.78Å; C1407-C1418 WeakPolarHBondContact CB-SG 3.04Å; C1407-C1418 WeakPolarHBondContact SG-CA 3.16Å; C1407-C1418 WeakPolarHBondContact SG-CB 3.3Å; C1407-C1418 CovalentContact SG-SG 2.04Å; C1407-C1418 PolarHBondContact SG-SG 2.85Å |
| 1408 | G | 67.4 | Low | 61.4 | Low | 27 Ų | 27 | 69.5 Ų | 69.5 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | trans | -90.2 | -173.4 | 164 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1395 G1410 S1411 | L1395-G1408 PolarHBondContact O-N 2.88Å; G1408-G1410 VanDerWaalsContact C-N 3.26Å; G1408-G1410 PolarHBondContact O-N 2.7Å; G1408-S1411 PolarHBondContact O-OG 3.25Å | ||
| 1409 | G | 63.3 | Low | 62 | Low | 40 Ų | 40 | 67.7 Ų | 67.7 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 8.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1411 | G1409-S1411 VanDerWaalsContact C-N 3.26Å; G1409-S1411 PolarHBondContact O-N 2.84Å |
| 1410 | G | 63.5 | Low | 62.2 | Low | 60 Ų | 60 | 67.9 Ų | 67.9 | 62% | 0.619 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -4.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | G1408 | G1408-G1410 VanDerWaalsContact C-N 3.26Å; G1408-G1410 PolarHBondContact O-N 2.7Å |
| 1411 | S | 68.5 | Low | 62.2 | Low | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.028 | 39% | 0.392 | C | S | . | . | trans | -77.7 | 152.7 | 168.4 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | P1397 C1407 G1408 G1409 C1418 T1419 | P1397-S1411 VanDerWaalsContact CA-OG 3.29Å; P1397-S1411 WeakPolarHBondContact CA-OG 3.33Å; P1397-S1411 WeakPolarHBondContact CG-OG 3.27Å; C1407-S1411 VanDerWaalsContact CB-O 3.28Å; C1407-S1411 WeakPolarHBondContact CB-O 3.26Å; G1408-S1411 PolarHBondContact O-OG 3.25Å; G1409-S1411 VanDerWaalsContact C-N 3.26Å; G1409-S1411 PolarHBondContact O-N 2.84Å; S1411-C1418 VanDerWaalsContact CB-O 3.25Å; S1411-C1418 WeakPolarHBondContact CB-O 3.4Å; S1411-C1418 WeakPolarHBondContact OG-CB 3.05Å; S1411-T1419 VanDerWaalsContact CA-O 3.3Å; S1411-T1419 WeakPolarHBondContact CA-O 3.36Å; S1411-T1419 WeakPolarHBondContact CB-O 3.48Å | ||
| 1412 | I | 66.9 | Low | 61.6 | Low | 95 Ų | 95 | 70.6 Ų | 70.6 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143.2 | 179.9 | 44.9 | 171.8 | 0 | 0 | 0 | 111.1 | V1414 C1418 T1419 P1421 | I1412-V1414 HydrophobicContact CD1-CG2 4.25Å; I1412-V1414 HydrophobicContact CG1-CG2 4.14Å; I1412-V1414 PolarHBondContact O-N 3.36Å; I1412-V1414 VanDerWaalsContact O-N 3.13Å; I1412-C1418 CarbonylContact O-C 3.5Å; I1412-C1418 WeakPolarHBondContact O-CA 3.38Å; I1412-T1419 PolarHBondContact N-O 3.25Å; I1412-T1419 PolarHBondContact O-N 3.09Å; I1412-P1421 HydrophobicContact CD1-CB 4.32Å |
| 1413 | C | 68.1 | Low | 61.3 | Low | 67 Ų | 67 | 72.8 Ų | 72.8 | 45% | 0.453 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 106.6 | 179.5 | -170.9 | 0 | 0 | 0 | 0 | 110.7 | C1401 C1407 | C1401-C1413 HydrophobicContact CB-CB 3.91Å; C1401-C1413 WeakPolarHBondContact CB-SG 3.49Å; C1401-C1413 WeakPolarHBondContact SG-CA 3.44Å; C1401-C1413 WeakPolarHBondContact SG-CB 3.47Å; C1401-C1413 CovalentContact SG-SG 2.03Å; C1401-C1413 PolarHBondContact SG-SG 3.01Å; C1407-C1413 VanDerWaalsContact SG-CB 3.58Å |
| 1414 | V | 68.1 | Low | 61.9 | Low | 67 Ų | 67 | 69.8 Ų | 69.8 | 41% | 0.406 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.3 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | I1412 N1416 V1417 T1419 | I1412-V1414 HydrophobicContact CD1-CG2 4.25Å; I1412-V1414 HydrophobicContact CG1-CG2 4.14Å; I1412-V1414 PolarHBondContact O-N 3.36Å; I1412-V1414 VanDerWaalsContact O-N 3.13Å; V1414-N1416 VanDerWaalsContact C-N 3.28Å; V1414-N1416 PolarHBondContact O-N 3.42Å; V1414-V1417 PolarHBondContact N-O 3.01Å; V1414-V1417 PolarHBondContact O-N 2.71Å; V1414-V1417 VanDerWaalsContact O-O 3.06Å; V1414-T1419 WeakPolarHBondContact CB-OG1 3.01Å |
| 1415 | N | 62.8 | Low | 62.7 | Low | 153 Ų | 153 | 66 Ų | 66 | 82% | 0.818 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 47.1 | -178.8 | -63.2 | -20.9 | 0 | 0 | 0 | 113.7 | V1417 | N1415-V1417 VanDerWaalsContact C-N 3.26Å; N1415-V1417 PolarHBondContact O-N 2.89Å |
| 1416 | N | 56 | Low | 63 | Low | 101 Ų | 101 | 65.2 Ų | 65.2 | 54% | 0.54 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 18.9 | -177.3 | -54 | -24.2 | 0 | 0 | 0 | 115.3 | I1400 C1401 V1414 | I1400-N1416 CarbonylContact C-O 3.45Å; I1400-N1416 WeakPolarHBondContact CA-O 3.38Å; I1400-N1416 WeakPolarHBondContact CG2-O 3.41Å; C1401-N1416 PolarHBondContact N-O 2.81Å; C1401-N1416 WeakPolarHBondContact O-CA 3.16Å; C1401-N1416 WeakPolarHBondContact O-CB 3.35Å; V1414-N1416 VanDerWaalsContact C-N 3.28Å; V1414-N1416 PolarHBondContact O-N 3.42Å |
| 1417 | V | 64 | Low | 62.7 | Low | 52 Ų | 52 | 63.4 Ų | 63.4 | 32% | 0.315 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.8 | 170.5 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | S1399 C1401 V1414 N1415 T1419 | S1399-V1417 WeakPolarHBondContact O-CA 3.31Å; C1401-V1417 VanDerWaalsContact SG-C 3.6Å; C1401-V1417 PolarHBondContact SG-N 2.03Å; C1401-V1417 VanDerWaalsContact SG-N 3.4Å; V1414-V1417 PolarHBondContact N-O 3.01Å; V1414-V1417 PolarHBondContact O-N 2.71Å; V1414-V1417 VanDerWaalsContact O-O 3.06Å; N1415-V1417 VanDerWaalsContact C-N 3.26Å; N1415-V1417 PolarHBondContact O-N 2.89Å; V1417-T1419 HydrophobicContact CG1-CG2 4.22Å; V1417-T1419 PolarHBondContact O-N 2.86Å; V1417-T1419 PolarHBondContact O-OG1 2.95Å |
| 1418 | C | 74.8 | Confident | 62.3 | Low | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 83.1 | 174.4 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | P1396 P1397 D1398 S1399 C1407 S1411 I1412 | P1396-C1418 VanDerWaalsContact O-CB 3.29Å; P1396-C1418 WeakPolarHBondContact O-CB 3.3Å; P1397-C1418 CarbonylContact C-O 3.47Å; P1397-C1418 WeakPolarHBondContact CA-O 3.41Å; D1398-C1418 WeakPolarHBondContact CA-O 3.48Å; D1398-C1418 PolarHBondContact N-O 3.14Å; S1399-C1418 PolarHBondContact O-N 3.26Å; C1407-C1418 HydrophobicContact CB-CB 3.78Å; C1407-C1418 WeakPolarHBondContact CB-SG 3.04Å; C1407-C1418 WeakPolarHBondContact SG-CA 3.16Å; C1407-C1418 WeakPolarHBondContact SG-CB 3.3Å; C1407-C1418 CovalentContact SG-SG 2.04Å; C1407-C1418 PolarHBondContact SG-SG 2.85Å; S1411-C1418 VanDerWaalsContact CB-O 3.25Å; S1411-C1418 WeakPolarHBondContact CB-O 3.4Å; S1411-C1418 WeakPolarHBondContact OG-CB 3.05Å; I1412-C1418 CarbonylContact O-C 3.5Å; I1412-C1418 WeakPolarHBondContact O-CA 3.38Å |
| 1419 | T | 73.8 | Confident | 61.7 | Low | 51 Ų | 51 | 73.3 Ų | 73.3 | 31% | 0.313 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 151.6 | -172.2 | 20.5 | 0 | 0 | 0 | 0 | 113.7 | S1411 I1412 V1414 V1417 | S1411-T1419 VanDerWaalsContact CA-O 3.3Å; S1411-T1419 WeakPolarHBondContact CA-O 3.36Å; S1411-T1419 WeakPolarHBondContact CB-O 3.48Å; I1412-T1419 PolarHBondContact N-O 3.25Å; I1412-T1419 PolarHBondContact O-N 3.09Å; V1414-T1419 WeakPolarHBondContact CB-OG1 3.01Å; V1417-T1419 HydrophobicContact CG1-CG2 4.22Å; V1417-T1419 PolarHBondContact O-N 2.86Å; V1417-T1419 PolarHBondContact O-OG1 2.95Å |
| 1420 | C | 68.8 | Low | 61.4 | Low | 30 Ų | 30 | 76.8 Ų | 76.8 | 20% | 0.203 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 131.1 | 173.8 | -80.8 | 0 | 0 | 0 | 0 | 112.5 | C1431 | C1420-C1431 WeakPolarHBondContact CA-SG 3.28Å; C1420-C1431 HydrophobicContact CB-CB 3.73Å; C1420-C1431 WeakPolarHBondContact CB-SG 3.46Å; C1420-C1431 WeakPolarHBondContact SG-CA 3.38Å; C1420-C1431 WeakPolarHBondContact SG-CB 3.39Å; C1420-C1431 CovalentContact SG-SG 2.04Å; C1420-C1431 PolarHBondContact SG-SG 2.68Å |
| 1421 | P | 61.9 | Low | 61.3 | Low | 46 Ų | 46 | 75.1 Ų | 75.1 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 154.5 | -178.4 | 31.6 | -34.9 | 0 | 0 | 0 | 114.1 | I1412 H1424 | I1412-P1421 HydrophobicContact CD1-CB 4.32Å; P1421-H1424 PolarHBondContact O-N 2.92Å; P1421-H1424 PolarHBondContact O-ND1 3.31Å |
| 1422 | N | 49.4 | Very low | 60.7 | Low | 153 Ų | 153 | 78.6 Ų | 78.6 | 82% | 0.818 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.8 | 70.8 | 159.3 | -63.6 | -21.1 | 0 | 0 | 0 | 116.3 | H1424 | N1422-H1424 PolarHBondContact O-N 2.73Å; N1422-H1424 VanDerWaalsContact O-N 3.08Å; N1422-H1424 PolarHBondContact O-ND1 3.33Å |
| 1423 | G | 48.7 | Very low | 59.8 | Low | 70 Ų | 70 | 79.1 Ų | 79.1 | 72% | 0.722 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1424 | H | 64.7 | Low | 59 | Low | 76 Ų | 76 | 79.4 Ų | 79.4 | 35% | 0.352 | 45% | 0.451 | S | S | . | . | trans | -82.6 | 145.3 | 170.3 | -63.8 | 60.3 | 0 | 0 | 0 | 109.9 | P1421 N1422 C1431 Q1432 L1433 | P1421-H1424 PolarHBondContact O-N 2.92Å; P1421-H1424 PolarHBondContact O-ND1 3.31Å; N1422-H1424 PolarHBondContact O-N 2.73Å; N1422-H1424 VanDerWaalsContact O-N 3.08Å; N1422-H1424 PolarHBondContact O-ND1 3.33Å; H1424-C1431 HydrophobicContact CB-CB 3.74Å; H1424-Q1432 CarbonylContact C-O 3.5Å; H1424-Q1432 WeakPolarHBondContact CA-O 3.4Å; H1424-L1433 VanDerWaalsContact CE1-CD1 3.46Å; H1424-L1433 WeakPolarHBondContact CE1-CD1 3.4Å; H1424-L1433 WeakPolarHBondContact NE2-CD1 3.02Å | ||
| 1425 | I | 57.7 | Low | 58.2 | Low | 89 Ų | 89 | 83.6 Ų | 83.6 | 46% | 0.456 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 149.7 | 171 | 53.1 | 173.3 | 0 | 0 | 0 | 110 | L1427 Q1432 | I1425-L1427 HydrophobicContact CG1-CG 4.45Å; I1425-L1427 PolarHBondContact O-N 3.31Å; I1425-Q1432 WeakPolarHBondContact CG1-O 3.3Å; I1425-Q1432 PolarHBondContact N-O 2.83Å; I1425-Q1432 PolarHBondContact O-N 3.04Å |
| 1426 | S | 57.5 | Low | 57.8 | Low | 49 Ų | 49 | 79.2 Ų | 79.2 | 34% | 0.343 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 112.4 | -179.8 | -169 | 0 | 0 | 0 | 0 | 110.3 | D1398 | D1398-S1426 WeakPolarHBondContact OD2-CB 3.24Å |
| 1427 | L | 48 | Very low | 58.6 | Low | 74 Ų | 74 | 75.4 Ų | 75.4 | 39% | 0.387 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118.9 | 173 | -69 | 177.7 | 0 | 0 | 0 | 108.5 | I1425 N1429 Q1430 Q1432 | I1425-L1427 HydrophobicContact CG1-CG 4.45Å; I1425-L1427 PolarHBondContact O-N 3.31Å; L1427-N1429 PolarHBondContact O-N 2.03Å; L1427-Q1430 PolarHBondContact N-O 3.47Å; L1427-Q1430 PolarHBondContact O-N 2.63Å; L1427-Q1432 HydrophobicContact CB-CB 4.25Å; L1427-Q1432 HydrophobicContact CB-CG 4.34Å; L1427-Q1432 HydrophobicContact CD1-CB 4.13Å |
| 1428 | N | 54.5 | Low | 59.2 | Low | 158 Ų | 158 | 74.6 Ų | 74.6 | 85% | 0.845 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 47.9 | -179.3 | -61.6 | -32.4 | 0 | 0 | 0 | 114.6 | Q1430 | N1428-Q1430 PolarHBondContact O-N 2.79Š|
| 1429 | N | 54.3 | Low | 59 | Low | 105 Ų | 105 | 75 Ų | 75 | 56% | 0.561 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 29.9 | -178.6 | -60.4 | -8.1 | 0 | 0 | 0 | 113.8 | P1397 L1427 | P1397-N1429 WeakPolarHBondContact CG-O 3.37Å; L1427-N1429 PolarHBondContact O-N 2.03Å |
| 1430 | Q | 56.6 | Low | 58.7 | Low | 112 Ų | 112 | 75 Ų | 75 | 52% | 0.523 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.8 | 168.7 | -65.6 | -174.2 | -5.1 | 0 | 0 | 109.7 | L1427 N1428 | L1427-Q1430 PolarHBondContact N-O 3.47Å; L1427-Q1430 PolarHBondContact O-N 2.63Å; N1428-Q1430 PolarHBondContact O-N 2.79Å |
| 1431 | C | 62.9 | Low | 59.2 | Low | 26 Ų | 26 | 78.9 Ų | 78.9 | 18% | 0.176 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122 | 176.9 | -50 | 0 | 0 | 0 | 0 | 109.8 | C1420 H1424 | C1420-C1431 WeakPolarHBondContact CA-SG 3.28Å; C1420-C1431 HydrophobicContact CB-CB 3.73Å; C1420-C1431 WeakPolarHBondContact CB-SG 3.46Å; C1420-C1431 WeakPolarHBondContact SG-CA 3.38Å; C1420-C1431 WeakPolarHBondContact SG-CB 3.39Å; C1420-C1431 CovalentContact SG-SG 2.04Å; C1420-C1431 PolarHBondContact SG-SG 2.68Å; H1424-C1431 HydrophobicContact CB-CB 3.74Å |
| 1432 | Q | 55.6 | Low | 59.6 | Low | 77 Ų | 77 | 85.2 Ų | 85.2 | 36% | 0.36 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 160.8 | -175.2 | -62.2 | -172.5 | -8.4 | 0 | 0 | 112.3 | H1424 I1425 L1427 | H1424-Q1432 CarbonylContact C-O 3.5Å; H1424-Q1432 WeakPolarHBondContact CA-O 3.4Å; I1425-Q1432 WeakPolarHBondContact CG1-O 3.3Å; I1425-Q1432 PolarHBondContact N-O 2.83Å; I1425-Q1432 PolarHBondContact O-N 3.04Å; L1427-Q1432 HydrophobicContact CB-CB 4.25Å; L1427-Q1432 HydrophobicContact CB-CG 4.34Å; L1427-Q1432 HydrophobicContact CD1-CB 4.13Å |
| 1433 | L | 48.5 | Very low | 60.7 | Low | 105 Ų | 105 | 78.4 Ų | 78.4 | 55% | 0.55 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 152.1 | 175.1 | -104.2 | 73.9 | 0 | 0 | 0 | 111.6 | H1424 | H1424-L1433 VanDerWaalsContact CE1-CD1 3.46Å; H1424-L1433 WeakPolarHBondContact CE1-CD1 3.4Å; H1424-L1433 WeakPolarHBondContact NE2-CD1 3.02Å |
| 1434 | P | 50.5 | Low | 61.8 | Low | 74 Ų | 74 | 82.7 Ų | 82.7 | 48% | 0.481 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 162 | 176.8 | 31.6 | -35.5 | 0 | 0 | 0 | 113.9 | ||
| 1435 | D | 51.5 | Low | 61.5 | Low | 154 Ų | 154 | 84.6 Ų | 84.6 | 82% | 0.824 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 161.6 | -169.2 | -66 | -63.5 | 0 | 0 | 0 | 116.3 | ||
| 1436 | A | 55 | Low | 61.3 | Low | 61 Ų | 61 | 88.5 Ų | 88.5 | 50% | 0.504 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1451 | A1436-T1451 HydrophobicContact CB-CG2 3.33Å |
| 1437 | V | 72.2 | Confident | 61.4 | Low | 22 Ų | 22 | 91 Ų | 91 | 13% | 0.133 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 140.5 | -167.5 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | Q1441 D1448 I1449 C1450 T1451 | V1437-Q1441 HydrophobicContact CG1-CB 3.63Å; V1437-D1448 HydrophobicContact CG2-CB 3.92Å; V1437-I1449 PolarHBondContact N-O 2.97Å; V1437-C1450 CarbonylContact O-C 3.37Å; V1437-T1451 WeakPolarHBondContact O-CB 3.02Å; V1437-T1451 PolarHBondContact O-N 3.3Å; V1437-T1451 PolarHBondContact O-OG1 3.18Å |
| 1438 | S | 75.7 | Confident | 62.3 | Low | 34 Ų | 34 | 88.9 Ų | 88.9 | 24% | 0.238 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 155.1 | -174.9 | -72.9 | 0 | 0 | 0 | 0 | 114.1 | G1440 Q1441 | S1438-G1440 PolarHBondContact O-N 2.85Å; S1438-Q1441 WeakPolarHBondContact O-CB 3.44Å; S1438-Q1441 PolarHBondContact O-N 2.8Å; S1438-Q1441 VanDerWaalsContact O-N 3.12Å |
| 1439 | P | 71.2 | Confident | 62.8 | Low | 10 Ų | 10 | 85.9 Ų | 85.9 | 7% | 0.065 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 133.8 | 170.5 | -23.5 | 31.6 | 0 | 0 | 0 | 112.3 | T1451 C1461 I1469 S1472 | P1439-T1451 WeakPolarHBondContact CG-O 3.3Å; P1439-C1461 CarbonylContact C-O 3.58Å; P1439-C1461 WeakPolarHBondContact CA-O 3.01Å; P1439-I1469 HydrophobicContact CB-CD1 3.81Å; P1439-I1469 HydrophobicContact CB-CG1 3.81Å; P1439-I1469 HydrophobicContact CB-CG2 4.1Å; P1439-S1472 WeakPolarHBondContact CD-O 3.29Å; P1439-S1472 VanDerWaalsContact CG-O 3.32Å; P1439-S1472 WeakPolarHBondContact CG-O 3.4Å |
| 1440 | G | 67.1 | Low | 63.5 | Low | 51 Ų | 51 | 82 Ų | 82 | 53% | 0.526 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -11.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1438 C1461 | S1438-G1440 PolarHBondContact O-N 2.85Å; G1440-C1461 PolarHBondContact N-O 3.02Å |
| 1441 | Q | 79.1 | Confident | 64.3 | Low | 110 Ų | 110 | 79 Ų | 79 | 51% | 0.514 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -87.4 | 158.8 | 176.3 | -69.1 | -174.8 | -21.6 | 0 | 0 | 112.8 | V1437 S1438 V1460 C1461 | V1437-Q1441 HydrophobicContact CG1-CB 3.63Å; S1438-Q1441 WeakPolarHBondContact O-CB 3.44Å; S1438-Q1441 PolarHBondContact O-N 2.8Å; S1438-Q1441 VanDerWaalsContact O-N 3.12Å; Q1441-V1460 WeakPolarHBondContact O-CA 3.08Å; Q1441-C1461 PolarHBondContact O-N 3.06Å |
| 1442 | K | 71.9 | Confident | 64.5 | Low | 180 Ų | 180 | 78.6 Ų | 78.6 | 78% | 0.783 | 43% | 0.429 | S | S | * | . | B | Isolated β-bridge | trans | -71.5 | 141.6 | 172.3 | -71.5 | -171.4 | 175.3 | -171.4 | 0 | 111.1 | G1459 V1460 | K1442-G1459 CarbonylContact C-O 3.55Å; K1442-G1459 WeakPolarHBondContact CA-O 3.46Å; K1442-V1460 HydrophobicContact CG-CG2 4.33Å |
| 1443 | C | 72.1 | Confident | 65 | Low | 9 Ų | 9 | 83 Ų | 83 | 6% | 0.061 | 44% | 0.442 | C | S | . | . | trans | -133.7 | 147.5 | 179.2 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | D1448 C1456 G1459 V1460 C1461 | C1443-D1448 HydrophobicContact CB-CB 4.02Å; C1443-C1456 HydrophobicContact CB-CB 4.06Å; C1443-C1456 WeakPolarHBondContact CB-SG 3.06Å; C1443-C1456 WeakPolarHBondContact SG-CA 3.47Å; C1443-C1456 WeakPolarHBondContact SG-CB 3.13Å; C1443-C1456 CovalentContact SG-SG 2.04Å; C1443-C1456 PolarHBondContact SG-SG 2.98Å; C1443-G1459 PolarHBondContact N-O 2.96Å; C1443-G1459 CarbonylContact O-C 3.45Å; C1443-G1459 VanDerWaalsContact O-CA 3.24Å; C1443-G1459 WeakPolarHBondContact O-CA 3.29Å; C1443-V1460 PolarHBondContact SG-N 3.12Å; C1443-V1460 VanDerWaalsContact SG-N 3.42Å; C1443-C1461 PolarHBondContact SG-N 3.43Å | ||
| 1444 | R | 70.7 | Confident | 66.4 | Low | 161 Ų | 161 | 78.3 Ų | 78.3 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | trans | -85.6 | 122.6 | 169 | -70.1 | 161.7 | -69.8 | -169.2 | 2.3 | 108.9 | N1446 V1447 D1448 | R1444-N1446 PolarHBondContact O-N 3.25Å; R1444-V1447 HydrophobicContact CB-CB 4Å; R1444-V1447 HydrophobicContact CB-CG2 4.43Å; R1444-V1447 PolarHBondContact O-N 2.67Å; R1444-D1448 VanDerWaalsContact CB-OD2 3.31Å; R1444-D1448 WeakPolarHBondContact CB-OD2 3.41Å; R1444-D1448 IonicContact CZ-OD1 3.6Å; R1444-D1448 IonicContact CZ-OD2 2.55Å; R1444-D1448 PolarHBondContact N-OD2 3.2Å; R1444-D1448 IonicContact NE-OD1 2.66Å; R1444-D1448 PolarHBondContact NE-OD1 3.27Å; R1444-D1448 IonicContact NE-OD2 2.69Å; R1444-D1448 PolarHBondContact NE-OD2 2.95Å; R1444-D1448 IonicContact NH2-OD1 3.1Å; R1444-D1448 PolarHBondContact NH2-OD1 2.92Å; R1444-D1448 IonicContact NH2-OD2 3.64Å; R1444-D1448 PolarHBondContact NH2-OD2 3.33Å; R1444-D1448 PolarHBondContact O-N 2.92Å; R1444-D1448 VanDerWaalsContact O-N 3.12Å | ||
| 1445 | E | 58.6 | Low | 67.5 | Low | 115 Ų | 115 | 80.8 Ų | 80.8 | 54% | 0.537 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 129.1 | 177 | -63.6 | 176.5 | 171.4 | 0 | 0 | 110.3 | V1447 G1459 | E1445-V1447 VanDerWaalsContact C-N 3.25Å; E1445-V1447 PolarHBondContact O-N 2.95Å; E1445-G1459 PolarHBondContact OE1-N 2.7Å |
| 1446 | N | 55.1 | Low | 68.7 | Low | 171 Ų | 171 | 75.5 Ų | 75.5 | 91% | 0.914 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 17.1 | -177.2 | -48.9 | -54.8 | 0 | 0 | 0 | 116.5 | R1444 | R1444-N1446 PolarHBondContact O-N 3.25Š|
| 1447 | V | 59.6 | Low | 69.6 | Low | 101 Ų | 101 | 76 Ų | 76 | 61% | 0.612 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | -49.5 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 112.8 | R1444 E1445 | R1444-V1447 HydrophobicContact CB-CB 4Å; R1444-V1447 HydrophobicContact CB-CG2 4.43Å; R1444-V1447 PolarHBondContact O-N 2.67Å; E1445-V1447 VanDerWaalsContact C-N 3.25Å; E1445-V1447 PolarHBondContact O-N 2.95Å |
| 1448 | D | 66.9 | Low | 69.3 | Low | 31 Ų | 31 | 81.8 Ų | 81.8 | 17% | 0.166 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -93 | 132.4 | -171.6 | -63.3 | -38.9 | 0 | 0 | 0 | 112.3 | V1437 C1443 R1444 C1450 | V1437-D1448 HydrophobicContact CG2-CB 3.92Å; C1443-D1448 HydrophobicContact CB-CB 4.02Å; R1444-D1448 VanDerWaalsContact CB-OD2 3.31Å; R1444-D1448 WeakPolarHBondContact CB-OD2 3.41Å; R1444-D1448 IonicContact CZ-OD1 3.6Å; R1444-D1448 IonicContact CZ-OD2 2.55Å; R1444-D1448 PolarHBondContact N-OD2 3.2Å; R1444-D1448 IonicContact NE-OD1 2.66Å; R1444-D1448 PolarHBondContact NE-OD1 3.27Å; R1444-D1448 IonicContact NE-OD2 2.69Å; R1444-D1448 PolarHBondContact NE-OD2 2.95Å; R1444-D1448 IonicContact NH2-OD1 3.1Å; R1444-D1448 PolarHBondContact NH2-OD1 2.92Å; R1444-D1448 IonicContact NH2-OD2 3.64Å; R1444-D1448 PolarHBondContact NH2-OD2 3.33Å; R1444-D1448 PolarHBondContact O-N 2.92Å; R1444-D1448 VanDerWaalsContact O-N 3.12Å; D1448-C1450 PolarHBondContact O-N 2.84Å |
| 1449 | I | 63.8 | Low | 69 | Low | 94 Ų | 94 | 81 Ų | 81 | 48% | 0.482 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 108 | -178.8 | -57.1 | 177 | 0 | 0 | 0 | 110.3 | V1437 | V1437-I1449 PolarHBondContact N-O 2.97Å |
| 1450 | C | 69.4 | Low | 69.3 | Low | 25 Ų | 25 | 82.6 Ų | 82.6 | 17% | 0.169 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 136.4 | 171.9 | -65.5 | 0 | 0 | 0 | 0 | 112 | V1437 D1448 S1454 C1456 C1461 | V1437-C1450 CarbonylContact O-C 3.37Å; D1448-C1450 PolarHBondContact O-N 2.84Å; C1450-S1454 VanDerWaalsContact CB-O 3.25Å; C1450-S1454 WeakPolarHBondContact CB-O 3.34Å; C1450-C1456 PolarHBondContact SG-N 2.94Å; C1450-C1461 VanDerWaalsContact CA-SG 3.59Å; C1450-C1461 HydrophobicContact CB-CB 3.79Å; C1450-C1461 WeakPolarHBondContact CB-SG 3.37Å; C1450-C1461 VanDerWaalsContact SG-CA 3.52Å; C1450-C1461 WeakPolarHBondContact SG-CB 3.4Å; C1450-C1461 CovalentContact SG-SG 2.04Å; C1450-C1461 PolarHBondContact SG-SG 3.34Å |
| 1451 | T | 73.4 | Confident | 69.9 | Low | 48 Ų | 48 | 80.1 Ų | 80.1 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | trans | -111.5 | -172.1 | -177.4 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | A1436 V1437 P1439 R1453 S1454 | A1436-T1451 HydrophobicContact CB-CG2 3.33Å; V1437-T1451 WeakPolarHBondContact O-CB 3.02Å; V1437-T1451 PolarHBondContact O-N 3.3Å; V1437-T1451 PolarHBondContact O-OG1 3.18Å; P1439-T1451 WeakPolarHBondContact CG-O 3.3Å; T1451-R1453 PolarHBondContact O-N 3.38Å; T1451-S1454 WeakPolarHBondContact O-CB 3.5Å; T1451-S1454 PolarHBondContact O-N 3.33Å; T1451-S1454 PolarHBondContact O-OG 3.32Å | ||
| 1452 | G | 66.7 | Low | 70 | Confident | 18 Ų | 18 | 79.4 Ų | 79.4 | 19% | 0.186 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 15.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | C1474 | G1452-C1474 WeakPolarHBondContact O-CB 3.18Å; G1452-C1474 PolarHBondContact O-N 2.82Å; G1452-C1474 PolarHBondContact O-SG 2.88Å |
| 1453 | R | 66 | Low | 70.2 | Confident | 170 Ų | 170 | 72.2 Ų | 72.2 | 64% | 0.642 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 26.4 | -167.2 | -54 | 175.9 | 168.5 | 176 | -4.3 | 115.1 | T1451 P1464 C1474 | T1451-R1453 PolarHBondContact O-N 3.38Å; R1453-P1464 WeakPolarHBondContact O-CD 3.48Å; R1453-C1474 HydrophobicContact CB-CB 4.23Å |
| 1454 | S | 77.7 | Confident | 70 | Confident | 6 Ų | 6 | 73.9 Ų | 73.9 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | trans | -95 | 159.2 | 170.7 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | C1450 T1451 C1461 Q1462 | C1450-S1454 VanDerWaalsContact CB-O 3.25Å; C1450-S1454 WeakPolarHBondContact CB-O 3.34Å; T1451-S1454 WeakPolarHBondContact O-CB 3.5Å; T1451-S1454 PolarHBondContact O-N 3.33Å; T1451-S1454 PolarHBondContact O-OG 3.32Å; S1454-C1461 WeakPolarHBondContact OG-CB 3.33Å; S1454-Q1462 CarbonylContact C-O 3.58Å; S1454-Q1462 WeakPolarHBondContact CA-O 3.07Å; S1454-Q1462 VanDerWaalsContact CB-O 3.26Å; S1454-Q1462 WeakPolarHBondContact CB-O 3.36Å | ||
| 1455 | H | 74.2 | Confident | 69 | Low | 125 Ų | 125 | 71.7 Ų | 71.7 | 58% | 0.579 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.3 | 177.9 | -68.5 | -89.3 | 0 | 0 | 0 | 110.9 | V1457 C1461 Q1462 | H1455-V1457 HydrophobicContact CB-CG2 4.5Å; H1455-V1457 PolarHBondContact O-N 3.43Å; H1455-C1461 CarbonylContact O-C 3.49Å; H1455-C1461 WeakPolarHBondContact O-CA 3.48Å; H1455-Q1462 PolarHBondContact N-O 3.01Å; H1455-Q1462 PolarHBondContact O-N 3.37Å |
| 1456 | C | 76.6 | Confident | 68.6 | Low | 44 Ų | 44 | 74.7 Ų | 74.7 | 30% | 0.297 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 113 | 176.5 | -162.9 | 0 | 0 | 0 | 0 | 109.8 | C1443 C1450 V1460 | C1443-C1456 HydrophobicContact CB-CB 4.06Å; C1443-C1456 WeakPolarHBondContact CB-SG 3.06Å; C1443-C1456 WeakPolarHBondContact SG-CA 3.47Å; C1443-C1456 WeakPolarHBondContact SG-CB 3.13Å; C1443-C1456 CovalentContact SG-SG 2.04Å; C1443-C1456 PolarHBondContact SG-SG 2.98Å; C1450-C1456 PolarHBondContact SG-N 2.94Å; C1456-V1460 WeakPolarHBondContact CA-O 3.08Å |
| 1457 | V | 73.8 | Confident | 69.3 | Low | 70 Ų | 70 | 69.2 Ų | 69.2 | 42% | 0.424 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.1 | 179.7 | -178.8 | 0 | 0 | 0 | 0 | 108 | H1455 G1459 V1460 Q1462 | H1455-V1457 HydrophobicContact CB-CG2 4.5Å; H1455-V1457 PolarHBondContact O-N 3.43Å; V1457-G1459 PolarHBondContact O-N 2.86Å; V1457-V1460 PolarHBondContact N-O 2.83Å; V1457-V1460 PolarHBondContact O-N 3.34Å; V1457-Q1462 PolarHBondContact O-NE2 2.81Å |
| 1458 | D | 65.1 | Low | 69.4 | Low | 144 Ų | 144 | 69.1 Ų | 69.1 | 77% | 0.77 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 47.5 | -170.9 | -65.1 | -24.6 | 0 | 0 | 0 | 112.6 | V1460 | D1458-V1460 VanDerWaalsContact C-N 3.32Å; D1458-V1460 PolarHBondContact O-N 3.31Å |
| 1459 | G | 69.7 | Low | 69.2 | Low | 18 Ų | 18 | 71.6 Ų | 71.6 | 19% | 0.186 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 20.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K1442 C1443 E1445 V1457 | K1442-G1459 CarbonylContact C-O 3.55Å; K1442-G1459 WeakPolarHBondContact CA-O 3.46Å; C1443-G1459 PolarHBondContact N-O 2.96Å; C1443-G1459 CarbonylContact O-C 3.45Å; C1443-G1459 VanDerWaalsContact O-CA 3.24Å; C1443-G1459 WeakPolarHBondContact O-CA 3.29Å; E1445-G1459 PolarHBondContact OE1-N 2.7Å; V1457-G1459 PolarHBondContact O-N 2.86Å |
| 1460 | V | 77.9 | Confident | 68.6 | Low | 43 Ų | 43 | 72 Ų | 72 | 26% | 0.261 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137 | 173.2 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | Q1441 K1442 C1443 C1456 V1457 D1458 Q1462 | Q1441-V1460 WeakPolarHBondContact O-CA 3.08Å; K1442-V1460 HydrophobicContact CG-CG2 4.33Å; C1443-V1460 PolarHBondContact SG-N 3.12Å; C1443-V1460 VanDerWaalsContact SG-N 3.42Å; C1456-V1460 WeakPolarHBondContact CA-O 3.08Å; V1457-V1460 PolarHBondContact N-O 2.83Å; V1457-V1460 PolarHBondContact O-N 3.34Å; D1458-V1460 VanDerWaalsContact C-N 3.32Å; D1458-V1460 PolarHBondContact O-N 3.31Å; V1460-Q1462 HydrophobicContact CB-CG 4.36Å; V1460-Q1462 HydrophobicContact CG1-CG 4.15Å; V1460-Q1462 PolarHBondContact O-N 3.16Å |
| 1461 | C | 79.6 | Confident | 68 | Low | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 98.8 | 176.2 | -68.5 | 0 | 0 | 0 | 0 | 111.4 | P1439 G1440 Q1441 C1443 C1450 S1454 H1455 | P1439-C1461 CarbonylContact C-O 3.58Å; P1439-C1461 WeakPolarHBondContact CA-O 3.01Å; G1440-C1461 PolarHBondContact N-O 3.02Å; Q1441-C1461 PolarHBondContact O-N 3.06Å; C1443-C1461 PolarHBondContact SG-N 3.43Å; C1450-C1461 VanDerWaalsContact CA-SG 3.59Å; C1450-C1461 HydrophobicContact CB-CB 3.79Å; C1450-C1461 WeakPolarHBondContact CB-SG 3.37Å; C1450-C1461 VanDerWaalsContact SG-CA 3.52Å; C1450-C1461 WeakPolarHBondContact SG-CB 3.4Å; C1450-C1461 CovalentContact SG-SG 2.04Å; C1450-C1461 PolarHBondContact SG-SG 3.34Å; S1454-C1461 WeakPolarHBondContact OG-CB 3.33Å; H1455-C1461 CarbonylContact O-C 3.49Å; H1455-C1461 WeakPolarHBondContact O-CA 3.48Å |
| 1462 | Q | 81.5 | Confident | 67.1 | Low | 95 Ų | 95 | 79.6 Ų | 79.6 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 146 | -174.9 | -59.6 | -175.9 | 42.1 | 0 | 0 | 113 | S1454 H1455 V1457 V1460 | S1454-Q1462 CarbonylContact C-O 3.58Å; S1454-Q1462 WeakPolarHBondContact CA-O 3.07Å; S1454-Q1462 VanDerWaalsContact CB-O 3.26Å; S1454-Q1462 WeakPolarHBondContact CB-O 3.36Å; H1455-Q1462 PolarHBondContact N-O 3.01Å; H1455-Q1462 PolarHBondContact O-N 3.37Å; V1457-Q1462 PolarHBondContact O-NE2 2.81Å; V1460-Q1462 HydrophobicContact CB-CG 4.36Å; V1460-Q1462 HydrophobicContact CG1-CG 4.15Å; V1460-Q1462 PolarHBondContact O-N 3.16Å |
| 1463 | C | 76 | Confident | 67 | Low | 29 Ų | 29 | 82.9 Ų | 82.9 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 146.2 | 173.8 | -73.5 | 0 | 0 | 0 | 0 | 112 | I1469 C1474 | C1463-I1469 WeakPolarHBondContact SG-CG1 3.43Å; C1463-C1474 VanDerWaalsContact CA-SG 3.51Å; C1463-C1474 HydrophobicContact CB-CB 3.93Å; C1463-C1474 WeakPolarHBondContact CB-SG 3.43Å; C1463-C1474 WeakPolarHBondContact SG-CB 3.24Å; C1463-C1474 CovalentContact SG-SG 2.03Å; C1463-C1474 PolarHBondContact SG-SG 3.32Å |
| 1464 | P | 67.3 | Low | 67.2 | Low | 44 Ų | 44 | 74.8 Ų | 74.8 | 29% | 0.286 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 148.5 | 166.6 | -25.6 | 34.2 | 0 | 0 | 0 | 112.5 | R1453 M1467 | R1453-P1464 WeakPolarHBondContact O-CD 3.48Å; P1464-M1467 PolarHBondContact O-N 2.89Å |
| 1465 | P | 50.4 | Low | 66.4 | Low | 114 Ų | 114 | 78 Ų | 78 | 74% | 0.74 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 142.2 | 175.8 | -28.1 | 35.7 | 0 | 0 | 0 | 113 | M1467 | P1465-M1467 VanDerWaalsContact C-N 3.31Å; P1465-M1467 PolarHBondContact O-N 2.03Å |
| 1466 | H | 50.1 | Low | 65.1 | Low | 179 Ų | 179 | 78.7 Ų | 78.7 | 83% | 0.829 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 11.8 | -177.1 | -41.9 | -71.6 | 0 | 0 | 0 | 116.6 | ||
| 1467 | M | 69.5 | Low | 63.3 | Low | 56 Ų | 56 | 82.3 Ų | 82.3 | 28% | 0.276 | 45% | 0.448 | S | S | . | . | trans | -117.9 | 151 | 158.1 | -63.1 | -173.5 | -175.6 | 0 | 0 | 110.4 | P1464 P1465 C1474 | P1464-M1467 PolarHBondContact O-N 2.89Å; P1465-M1467 VanDerWaalsContact C-N 3.31Å; P1465-M1467 PolarHBondContact O-N 2.03Å; M1467-C1474 HydrophobicContact CB-CB 3.83Å; M1467-C1474 HydrophobicContact SD-CB 4.11Å | ||
| 1468 | V | 61.8 | Low | 61.3 | Low | 98 Ų | 98 | 83.7 Ų | 83.7 | 59% | 0.594 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 149.6 | 175.9 | -77.3 | 0 | 0 | 0 | 0 | 110.7 | E1470 C1474 I1475 | V1468-E1470 PolarHBondContact O-N 3.32Å; V1468-C1474 WeakPolarHBondContact O-CA 3.04Å; V1468-I1475 PolarHBondContact O-N 3.46Å |
| 1469 | I | 63.1 | Low | 59.6 | Low | 83 Ų | 83 | 85.1 Ų | 85.1 | 43% | 0.426 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 111.7 | 176.7 | -54.8 | 168.1 | 0 | 0 | 0 | 108.3 | P1439 C1463 | P1439-I1469 HydrophobicContact CB-CD1 3.81Å; P1439-I1469 HydrophobicContact CB-CG1 3.81Å; P1439-I1469 HydrophobicContact CB-CG2 4.1Å; C1463-I1469 WeakPolarHBondContact SG-CG1 3.43Å |
| 1470 | E | 50.7 | Low | 57.4 | Low | 104 Ų | 104 | 87.5 Ų | 87.5 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.1 | 165.4 | -135.6 | 178.8 | 179 | 0 | 0 | 107.9 | V1468 S1472 I1473 I1475 | V1468-E1470 PolarHBondContact O-N 3.32Å; E1470-S1472 VanDerWaalsContact C-N 3.32Å; E1470-S1472 PolarHBondContact O-N 3.29Å; E1470-I1473 PolarHBondContact N-O 3.37Å; E1470-I1473 PolarHBondContact O-N 3.04Å; E1470-I1473 VanDerWaalsContact O-O 3.09Å; E1470-I1475 HydrophobicContact CB-CD1 3.9Å; E1470-I1475 HydrophobicContact CB-CG1 4.01Å |
| 1471 | H | 56.7 | Low | 54.9 | Low | 173 Ų | 173 | 95.9 Ų | 95.9 | 80% | 0.801 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 49.2 | -179.2 | -54.7 | 93.2 | 0 | 0 | 0 | 114 | I1473 | H1471-I1473 VanDerWaalsContact C-N 3.29Å; H1471-I1473 PolarHBondContact O-N 3.2Å |
| 1472 | S | 55.6 | Low | 52.2 | Low | 58 Ų | 58 | 103.6 Ų | 103.6 | 41% | 0.406 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 63.3 | 20.7 | -178.7 | -56.6 | 0 | 0 | 0 | 0 | 116.1 | P1439 E1470 | P1439-S1472 WeakPolarHBondContact CD-O 3.29Å; P1439-S1472 VanDerWaalsContact CG-O 3.32Å; P1439-S1472 WeakPolarHBondContact CG-O 3.4Å; E1470-S1472 VanDerWaalsContact C-N 3.32Å; E1470-S1472 PolarHBondContact O-N 3.29Å |
| 1473 | I | 64.6 | Low | 49.7 | Very low | 88 Ų | 88 | 104.8 Ų | 104.8 | 45% | 0.451 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.6 | 173.8 | -51.5 | -179.2 | 0 | 0 | 0 | 110.5 | E1470 H1471 I1475 | E1470-I1473 PolarHBondContact N-O 3.37Å; E1470-I1473 PolarHBondContact O-N 3.04Å; E1470-I1473 VanDerWaalsContact O-O 3.09Å; H1471-I1473 VanDerWaalsContact C-N 3.29Å; H1471-I1473 PolarHBondContact O-N 3.2Å; I1473-I1475 HydrophobicContact CB-CG2 4.35Å; I1473-I1475 HydrophobicContact CG2-CG2 3.8Å; I1473-I1475 PolarHBondContact O-N 2.91Å |
| 1474 | C | 68.8 | Low | 47.5 | Very low | 0 Ų | 0 | 109.2 Ų | 109.2 | 0% | 0 | 60% | 0.6 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.2 | 109.5 | 171.6 | -48.7 | 0 | 0 | 0 | 0 | 109.9 | G1452 R1453 C1463 M1467 V1468 | G1452-C1474 WeakPolarHBondContact O-CB 3.18Å; G1452-C1474 PolarHBondContact O-N 2.82Å; G1452-C1474 PolarHBondContact O-SG 2.88Å; R1453-C1474 HydrophobicContact CB-CB 4.23Å; C1463-C1474 VanDerWaalsContact CA-SG 3.51Å; C1463-C1474 HydrophobicContact CB-CB 3.93Å; C1463-C1474 WeakPolarHBondContact CB-SG 3.43Å; C1463-C1474 WeakPolarHBondContact SG-CB 3.24Å; C1463-C1474 CovalentContact SG-SG 2.03Å; C1463-C1474 PolarHBondContact SG-SG 3.32Å; M1467-C1474 HydrophobicContact CB-CB 3.83Å; M1467-C1474 HydrophobicContact SD-CB 4.11Å; V1468-C1474 WeakPolarHBondContact O-CA 3.04Å |
| 1475 | I | 62.1 | Low | 46 | Very low | 73 Ų | 73 | 113.6 Ų | 113.6 | 37% | 0.374 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.3 | 168.7 | -177.2 | 56.9 | 174.6 | 0 | 0 | 0 | 114.3 | V1468 E1470 I1473 | V1468-I1475 PolarHBondContact O-N 3.46Å; E1470-I1475 HydrophobicContact CB-CD1 3.9Å; E1470-I1475 HydrophobicContact CB-CG1 4.01Å; I1473-I1475 HydrophobicContact CB-CG2 4.35Å; I1473-I1475 HydrophobicContact CG2-CG2 3.8Å; I1473-I1475 PolarHBondContact O-N 2.91Å |
| 1476 | M | 46.9 | Very low | 45 | Very low | 140 Ų | 140 | 111 Ų | 111 | 69% | 0.69 | 62% | 0.62 | S | S | * | * | trans | -129.6 | 119 | -173.8 | -179.6 | -175.4 | -90.6 | 0 | 0 | 109.7 | ||||
| 1477 | P | 37.5 | Very low | 43.7 | Very low | 119 Ų | 119 | 110.1 Ų | 110.1 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | trans | -70.3 | 152.6 | -172.8 | -23.8 | 35.4 | 0 | 0 | 0 | 116.4 | ||||
| 1478 | A | 33.3 | Very low | 41.4 | Very low | 100 Ų | 100 | 114.7 Ų | 114.7 | 83% | 0.826 | 63% | 0.634 | S | S | * | * | trans | -128.8 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1479 | I | 27.9 | Very low | 39.5 | Very low | 173 Ų | 173 | 116.5 Ų | 116.5 | 89% | 0.887 | 64% | 0.636 | S | S | * | * | trans | -127.6 | 113.8 | -154.1 | -56.6 | 169.8 | 0 | 0 | 0 | 115.1 | ||||
| 1480 | G | 24.8 | Very low | 37.6 | Very low | 68 Ų | 68 | 121.4 Ų | 121.4 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | trans | 58.8 | 157.6 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1481 | K | 24.4 | Very low | 36.4 | Very low | 220 Ų | 220 | 122.4 Ų | 122.4 | 96% | 0.957 | 66% | 0.664 | S | S | * | * | trans | 177.9 | 178 | 144 | -102.5 | 166.7 | -175.1 | 179.3 | 0 | 115.3 | ||||
| 1482 | M | 23.4 | Very low | 34.9 | Very low | 161 Ų | 161 | 119.7 Ų | 119.7 | 79% | 0.793 | 66% | 0.655 | S | S | * | * | trans | -97.1 | 151 | -171.1 | -64.7 | 167.3 | 153.7 | 0 | 0 | 115.1 | ||||
| 1483 | N | 29.1 | Very low | 33.7 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 65% | 0.647 | 67% | 0.673 | S | S | * | * | trans | -160.2 | 138.5 | 149.7 | -179.2 | 4.5 | 0 | 0 | 0 | 106.7 | T1485 | N1483-T1485 PolarHBondContact OD1-N 3.03Å; N1483-T1485 PolarHBondContact OD1-OG1 2.67Å | ||
| 1484 | N | 30 | Very low | 32 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | cis | 134.2 | -55.5 | -13.2 | -72.3 | 31.6 | 0 | 0 | 0 | 111.9 | ||||
| 1485 | T | 35.4 | Very low | 30.7 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 83% | 0.834 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -93.1 | 14.7 | 176.2 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | N1483 | N1483-T1485 PolarHBondContact OD1-N 3.03Å; N1483-T1485 PolarHBondContact OD1-OG1 2.67Å |
| 1486 | G | 29.6 | Very low | 30 | Very low | 59 Ų | 59 | 137.4 Ų | 137.4 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -159.1 | 82.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1487 | Q | 22.3 | Very low | 31 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | -61.7 | 147.5 | -177.6 | -62.5 | -174.4 | -12.5 | 0 | 0 | 111.5 | ||||
| 1488 | F | 21.8 | Very low | 32.5 | Very low | 152 Ų | 152 | 128 Ų | 128 | 67% | 0.667 | 67% | 0.67 | S | S | * | * | cis | -156.1 | 145.8 | 5.7 | -133 | -149.7 | 0 | 0 | 0 | 111.7 | ||||
| 1489 | Q | 20.6 | Very low | 34.4 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | 56.6 | 115.2 | 122.3 | -159.9 | 174.7 | 65.1 | 0 | 0 | 121.6 | |||||
| 1490 | Y | 24.6 | Very low | 36.3 | Very low | 187 Ų | 187 | 118 Ų | 118 | 73% | 0.733 | 62% | 0.618 | S | S | * | * | trans | 29 | 99.6 | 153.6 | -53.7 | -59.2 | 0 | 0 | 0 | 120.1 | ||||
| 1491 | T | 25.1 | Very low | 38.8 | Very low | 125 Ų | 125 | 116.3 Ų | 116.3 | 77% | 0.767 | 60% | 0.595 | S | S | * | * | trans | -106.1 | 99.3 | 138.7 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | Q1493 | T1491-Q1493 VanDerWaalsContact C-N 3.35Å; T1491-Q1493 HydrophobicContact CG2-CG 4.01Å; T1491-Q1493 PolarHBondContact O-N 3.36Å | ||
| 1492 | I | 24.7 | Very low | 41 | Very low | 116 Ų | 116 | 108.7 Ų | 108.7 | 60% | 0.595 | 57% | 0.573 | S | S | * | * | trans | -68 | 95.9 | 165.1 | -59.8 | 168.9 | 0 | 0 | 0 | 106.7 | R1494 | I1492-R1494 VanDerWaalsContact C-N 3.27Å; I1492-R1494 HydrophobicContact CG2-CG 3.94Å; I1492-R1494 PolarHBondContact O-N 2.74Å | ||
| 1493 | Q | 29.8 | Very low | 43.3 | Very low | 171 Ų | 171 | 101.5 Ų | 101.5 | 80% | 0.799 | 54% | 0.539 | S | S | * | . | trans | -69.9 | 88.8 | 171.3 | -76.2 | -164 | -12.2 | 0 | 0 | 109.1 | T1491 I1495 | T1491-Q1493 VanDerWaalsContact C-N 3.35Å; T1491-Q1493 HydrophobicContact CG2-CG 4.01Å; T1491-Q1493 PolarHBondContact O-N 3.36Å; Q1493-I1495 PolarHBondContact O-N 2.77Å | ||
| 1494 | R | 30 | Very low | 45.1 | Very low | 145 Ų | 145 | 99.6 Ų | 99.6 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | trans | -65.4 | 97.4 | 177.7 | -55.4 | -179.6 | -161.2 | -171.1 | 4.2 | 108.6 | I1492 K1496 T1506 R1508 | I1492-R1494 VanDerWaalsContact C-N 3.27Å; I1492-R1494 HydrophobicContact CG2-CG 3.94Å; I1492-R1494 PolarHBondContact O-N 2.74Å; R1494-K1496 PolarHBondContact O-N 3.16Å; R1494-T1506 WeakPolarHBondContact CA-O 2.97Å; R1494-R1508 HydrophobicContact CB-CB 4.14Å | ||
| 1495 | I | 42.4 | Very low | 46.3 | Very low | 114 Ų | 114 | 104.1 Ų | 104.1 | 59% | 0.585 | 54% | 0.543 | S | S | * | . | trans | -53.8 | 123.7 | -176.5 | -59 | 176.1 | 0 | 0 | 0 | 108.8 | Q1493 V1497 R1508 | Q1493-I1495 PolarHBondContact O-N 2.77Å; I1495-V1497 HydrophobicContact CG2-CG1 3.9Å; I1495-V1497 PolarHBondContact O-N 2.77Å; I1495-V1497 VanDerWaalsContact O-N 3.14Å; I1495-R1508 PolarHBondContact O-N 3.33Å | ||
| 1496 | K | 46.5 | Very low | 47 | Very low | 160 Ų | 160 | 101.6 Ų | 101.6 | 70% | 0.696 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 89.6 | 172.4 | -101.2 | -172.7 | 172 | 180 | 0 | 108.8 | R1494 R1508 | R1494-K1496 PolarHBondContact O-N 3.16Å; K1496-R1508 CarbonylContact C-O 3.58Å; K1496-R1508 VanDerWaalsContact CA-O 3.26Å; K1496-R1508 WeakPolarHBondContact CA-O 3.26Å |
| 1497 | V | 67.7 | Low | 48.2 | Very low | 15 Ų | 15 | 104.1 Ų | 104.1 | 9% | 0.091 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 140.2 | 177.8 | -65.3 | 0 | 0 | 0 | 0 | 110.6 | I1495 R1507 R1508 G1510 C1520 | I1495-V1497 HydrophobicContact CG2-CG1 3.9Å; I1495-V1497 PolarHBondContact O-N 2.77Å; I1495-V1497 VanDerWaalsContact O-N 3.14Å; V1497-R1507 HydrophobicContact CG1-CB 4.14Å; V1497-R1507 HydrophobicContact CG1-CG 4.1Å; V1497-R1507 HydrophobicContact CG2-CB 3.99Å; V1497-R1508 PolarHBondContact N-O 2.87Å; V1497-G1510 WeakPolarHBondContact O-CA 3.06Å; V1497-G1510 PolarHBondContact O-N 3.46Å; V1497-C1520 VanDerWaalsContact CG2-SG 3.6Å |
| 1498 | P | 68.5 | Low | 49.9 | Very low | 47 Ų | 47 | 104.2 Ų | 104.2 | 31% | 0.305 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -65 | 159.8 | -175.4 | 20.1 | -28.2 | 0 | 0 | 0 | 113.3 | S1501 Q1531 | P1498-S1501 VanDerWaalsContact CD-OG 3.32Å; P1498-S1501 WeakPolarHBondContact CD-OG 3.36Å; P1498-S1501 WeakPolarHBondContact CG-OG 3.29Å; P1498-S1501 WeakPolarHBondContact O-CB 3.43Å; P1498-S1501 PolarHBondContact O-N 2.79Å; P1498-S1501 PolarHBondContact O-OG 2.94Å; P1498-Q1531 HydrophobicContact CB-CB 4.38Å; P1498-Q1531 HydrophobicContact CB-CG 4.45Å |
| 1499 | P | 74.7 | Confident | 52 | Low | 9 Ų | 9 | 97.8 Ų | 97.8 | 6% | 0.058 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 142.3 | 168.7 | -22.7 | 33.2 | 0 | 0 | 0 | 111.7 | S1501 C1520 I1528 Q1531 | P1499-S1501 VanDerWaalsContact C-N 3.31Å; P1499-C1520 CarbonylContact C-O 3.52Å; P1499-C1520 WeakPolarHBondContact CA-O 3.36Å; P1499-I1528 HydrophobicContact CB-CB 4.32Å; P1499-I1528 HydrophobicContact CB-CD1 3.63Å; P1499-I1528 HydrophobicContact CB-CG1 3.58Å; P1499-I1528 HydrophobicContact CB-CG2 3.88Å; P1499-I1528 HydrophobicContact CG-CG1 4.46Å; P1499-I1528 HydrophobicContact CG-CG2 4.15Å; P1499-Q1531 WeakPolarHBondContact CD-O 3.48Å |
| 1500 | G | 66.4 | Low | 54.5 | Low | 55 Ų | 55 | 91.4 Ų | 91.4 | 57% | 0.567 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -13.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | C1520 | G1500-C1520 PolarHBondContact N-O 2.04Š|
| 1501 | S | 77.4 | Confident | 56.4 | Low | 31 Ų | 31 | 83.9 Ų | 83.9 | 22% | 0.217 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -77 | 149.6 | 178.7 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | P1498 P1499 E1519 C1520 | P1498-S1501 VanDerWaalsContact CD-OG 3.32Å; P1498-S1501 WeakPolarHBondContact CD-OG 3.36Å; P1498-S1501 WeakPolarHBondContact CG-OG 3.29Å; P1498-S1501 WeakPolarHBondContact O-CB 3.43Å; P1498-S1501 PolarHBondContact O-N 2.79Å; P1498-S1501 PolarHBondContact O-OG 2.94Å; P1499-S1501 VanDerWaalsContact C-N 3.31Å; S1501-E1519 CarbonylContact O-C 3.43Å; S1501-E1519 WeakPolarHBondContact O-CA 3.29Å; S1501-C1520 PolarHBondContact O-N 2.75Å |
| 1502 | A | 71.6 | Confident | 58.5 | Low | 60 Ų | 60 | 80.2 Ų | 80.2 | 50% | 0.496 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -62.6 | 134.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1518 | A1502-G1518 CarbonylContact C-O 3.45Å; A1502-G1518 VanDerWaalsContact CA-O 3.27Å; A1502-G1518 WeakPolarHBondContact CA-O 3.36Å |
| 1503 | C | 70.8 | Confident | 61 | Low | 11 Ų | 11 | 75.2 Ų | 75.2 | 7% | 0.074 | 40% | 0.398 | C | S | . | . | trans | -128.6 | 149 | -172.4 | 71.6 | 0 | 0 | 0 | 0 | 112.7 | C1515 G1518 E1519 C1520 | C1503-C1515 HydrophobicContact CB-CB 3.88Å; C1503-C1515 WeakPolarHBondContact CB-SG 3.04Å; C1503-C1515 WeakPolarHBondContact SG-CA 3Å; C1503-C1515 WeakPolarHBondContact SG-CB 3.31Å; C1503-C1515 CovalentContact SG-SG 2.03Å; C1503-C1515 PolarHBondContact SG-SG 2.97Å; C1503-G1518 PolarHBondContact N-O 3.22Å; C1503-E1519 PolarHBondContact SG-N 3.21Å; C1503-E1519 PolarHBondContact SG-O 3.46Å; C1503-C1520 WeakPolarHBondContact CB-SG 3.47Å | ||
| 1504 | D | 67.4 | Low | 63.1 | Low | 81 Ų | 81 | 70.3 Ų | 70.3 | 43% | 0.433 | 38% | 0.38 | S | S | . | . | trans | -150.5 | -166.4 | -175.8 | 61.7 | 42.4 | 0 | 0 | 0 | 110.5 | T1506 R1507 | D1504-T1506 PolarHBondContact O-N 2.78Å; D1504-T1506 VanDerWaalsContact OD1-CA 3.29Å; D1504-T1506 WeakPolarHBondContact OD1-CA 2.99Å; D1504-T1506 WeakPolarHBondContact OD1-CB 3.2Å; D1504-T1506 PolarHBondContact OD1-N 2.04Å; D1504-T1506 PolarHBondContact OD1-OG1 3.33Å; D1504-R1507 PolarHBondContact OD1-N 2.9Å | ||
| 1505 | K | 54.5 | Low | 65.2 | Low | 216 Ų | 216 | 66.7 Ų | 66.7 | 94% | 0.939 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -69.6 | -10.7 | 179.9 | -66.5 | -176.7 | 179 | 178.1 | 0 | 114.2 | ||
| 1506 | T | 51.3 | Low | 66.4 | Low | 83 Ų | 83 | 66.7 Ų | 66.7 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -106.3 | -39.2 | 178.5 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | R1494 D1504 R1508 | R1494-T1506 WeakPolarHBondContact CA-O 2.97Å; D1504-T1506 PolarHBondContact O-N 2.78Å; D1504-T1506 VanDerWaalsContact OD1-CA 3.29Å; D1504-T1506 WeakPolarHBondContact OD1-CA 2.99Å; D1504-T1506 WeakPolarHBondContact OD1-CB 3.2Å; D1504-T1506 PolarHBondContact OD1-N 2.04Å; D1504-T1506 PolarHBondContact OD1-OG1 3.33Å; T1506-R1508 PolarHBondContact O-N 2.03Å |
| 1507 | R | 54.4 | Low | 67.3 | Low | 113 Ų | 113 | 67.3 Ų | 67.3 | 43% | 0.426 | 38% | 0.384 | S | S | . | . | trans | -87 | 101.8 | -178.7 | -68.1 | 176.5 | 176.5 | -159.3 | -0.6 | 110.6 | V1497 D1504 | V1497-R1507 HydrophobicContact CG1-CB 4.14Å; V1497-R1507 HydrophobicContact CG1-CG 4.1Å; V1497-R1507 HydrophobicContact CG2-CB 3.99Å; D1504-R1507 PolarHBondContact OD1-N 2.9Å | ||
| 1508 | R | 56.9 | Low | 67.5 | Low | 161 Ų | 161 | 68.1 Ų | 68.1 | 61% | 0.608 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 142.5 | 178.6 | -150.7 | 176.5 | -164.6 | -177.1 | 2.5 | 109.1 | R1494 I1495 K1496 V1497 T1506 G1510 | R1494-R1508 HydrophobicContact CB-CB 4.14Å; I1495-R1508 PolarHBondContact O-N 3.33Å; K1496-R1508 CarbonylContact C-O 3.58Å; K1496-R1508 VanDerWaalsContact CA-O 3.26Å; K1496-R1508 WeakPolarHBondContact CA-O 3.26Å; V1497-R1508 PolarHBondContact N-O 2.87Å; T1506-R1508 PolarHBondContact O-N 2.03Å; R1508-G1510 PolarHBondContact O-N 2.03Å |
| 1509 | C | 67.4 | Low | 67.5 | Low | 17 Ų | 17 | 70.1 Ų | 70.1 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 130.6 | -178.1 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | S1513 T1514 C1515 C1520 | C1509-S1513 VanDerWaalsContact CB-C 3.46Å; C1509-S1513 WeakPolarHBondContact CB-O 3.25Å; C1509-S1513 WeakPolarHBondContact CB-OG 3.35Å; C1509-T1514 VanDerWaalsContact SG-C 3.53Å; C1509-C1515 VanDerWaalsContact SG-CA 3.5Å; C1509-C1515 VanDerWaalsContact SG-CB 3.58Å; C1509-C1515 PolarHBondContact SG-N 2.78Å; C1509-C1520 WeakPolarHBondContact CA-SG 3.24Å; C1509-C1520 HydrophobicContact CB-CB 3.8Å; C1509-C1520 WeakPolarHBondContact CB-SG 3.14Å; C1509-C1520 WeakPolarHBondContact SG-CA 3.01Å; C1509-C1520 WeakPolarHBondContact SG-CB 3.4Å; C1509-C1520 CovalentContact SG-SG 2.04Å; C1509-C1520 PolarHBondContact SG-SG 3.42Å |
| 1510 | G | 73.1 | Confident | 67.6 | Low | 3 Ų | 3 | 69.7 Ų | 69.7 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | trans | -90 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V1497 R1508 G1512 S1513 | V1497-G1510 WeakPolarHBondContact O-CA 3.06Å; V1497-G1510 PolarHBondContact O-N 3.46Å; R1508-G1510 PolarHBondContact O-N 2.03Å; G1510-G1512 PolarHBondContact O-N 2.87Å; G1510-S1513 PolarHBondContact O-N 3.21Å; G1510-S1513 PolarHBondContact O-OG 3.35Å | ||
| 1511 | G | 65 | Low | 68.2 | Low | 29 Ų | 29 | 71.1 Ų | 71.1 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | -16.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q1531 R1532 C1533 | G1511-Q1531 WeakPolarHBondContact CA-O 3.43Å; G1511-R1532 CarbonylContact O-C 3.51Å; G1511-R1532 WeakPolarHBondContact O-CA 3.36Å; G1511-C1533 PolarHBondContact O-N 3.14Å |
| 1512 | G | 68.7 | Low | 68 | Low | 48 Ų | 48 | 70.8 Ų | 70.8 | 50% | 0.495 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 109 | 4.1 | -165 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1510 P1523 C1533 | G1510-G1512 PolarHBondContact O-N 2.87Å; G1512-P1523 VanDerWaalsContact O-CD 3.27Å; G1512-P1523 WeakPolarHBondContact O-CD 3.03Å; G1512-C1533 VanDerWaalsContact C-SG 3.52Å |
| 1513 | S | 77.3 | Confident | 67.9 | Low | 10 Ų | 10 | 70.4 Ų | 70.4 | 7% | 0.07 | 38% | 0.378 | C | S | . | . | trans | -77.9 | 163 | 174.2 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | C1509 G1510 K1521 C1533 | C1509-S1513 VanDerWaalsContact CB-C 3.46Å; C1509-S1513 WeakPolarHBondContact CB-O 3.25Å; C1509-S1513 WeakPolarHBondContact CB-OG 3.35Å; G1510-S1513 PolarHBondContact O-N 3.21Å; G1510-S1513 PolarHBondContact O-OG 3.35Å; S1513-K1521 CarbonylContact C-O 3.54Å; S1513-K1521 WeakPolarHBondContact CA-O 3.42Å; S1513-K1521 WeakPolarHBondContact CB-O 3.15Å; S1513-C1533 VanDerWaalsContact CA-SG 3.54Å; S1513-C1533 VanDerWaalsContact CB-SG 3.6Å; S1513-C1533 PolarHBondContact N-SG 2.93Å | ||
| 1514 | T | 72.6 | Confident | 67 | Low | 69 Ų | 69 | 79.6 Ų | 79.6 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.8 | -178.8 | 34.9 | 0 | 0 | 0 | 0 | 110.8 | C1509 Q1516 K1521 | C1509-T1514 VanDerWaalsContact SG-C 3.53Å; T1514-Q1516 PolarHBondContact O-N 2.72Å; T1514-K1521 PolarHBondContact N-O 3.24Å; T1514-K1521 PolarHBondContact O-N 2.99Å; T1514-K1521 PolarHBondContact OG1-O 3.46Å |
| 1515 | C | 75.1 | Confident | 66.2 | Low | 69 Ų | 69 | 78.3 Ų | 78.3 | 47% | 0.466 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 111.1 | -176.8 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | C1503 C1509 | C1503-C1515 HydrophobicContact CB-CB 3.88Å; C1503-C1515 WeakPolarHBondContact CB-SG 3.04Å; C1503-C1515 WeakPolarHBondContact SG-CA 3Å; C1503-C1515 WeakPolarHBondContact SG-CB 3.31Å; C1503-C1515 CovalentContact SG-SG 2.03Å; C1503-C1515 PolarHBondContact SG-SG 2.97Å; C1509-C1515 VanDerWaalsContact SG-CA 3.5Å; C1509-C1515 VanDerWaalsContact SG-CB 3.58Å; C1509-C1515 PolarHBondContact SG-N 2.78Å |
| 1516 | Q | 67.7 | Low | 66.5 | Low | 114 Ų | 114 | 71.6 Ų | 71.6 | 53% | 0.533 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 117 | -172 | -168.5 | 171.4 | 0.2 | 0 | 0 | 110 | T1514 G1518 E1519 | T1514-Q1516 PolarHBondContact O-N 2.72Å; Q1516-G1518 PolarHBondContact O-N 2.92Å; Q1516-E1519 PolarHBondContact N-O 3.33Å; Q1516-E1519 PolarHBondContact O-N 3.07Å |
| 1517 | L | 64.9 | Low | 66.7 | Low | 172 Ų | 172 | 70.8 Ų | 70.8 | 90% | 0.901 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 32 | -173.8 | -68.2 | 168.5 | 0 | 0 | 0 | 114.5 | ||
| 1518 | G | 71.9 | Confident | 67.1 | Low | 33 Ų | 33 | 69 Ų | 69 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 7.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1502 C1503 Q1516 | A1502-G1518 CarbonylContact C-O 3.45Å; A1502-G1518 VanDerWaalsContact CA-O 3.27Å; A1502-G1518 WeakPolarHBondContact CA-O 3.36Å; C1503-G1518 PolarHBondContact N-O 3.22Å; Q1516-G1518 PolarHBondContact O-N 2.92Å |
| 1519 | E | 68.6 | Low | 67.2 | Low | 89 Ų | 89 | 62.6 Ų | 62.6 | 42% | 0.416 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.9 | 173.4 | -64.4 | 176 | 137.3 | 0 | 0 | 111.5 | S1501 C1503 Q1516 K1521 | S1501-E1519 CarbonylContact O-C 3.43Å; S1501-E1519 WeakPolarHBondContact O-CA 3.29Å; C1503-E1519 PolarHBondContact SG-N 3.21Å; C1503-E1519 PolarHBondContact SG-O 3.46Å; Q1516-E1519 PolarHBondContact N-O 3.33Å; Q1516-E1519 PolarHBondContact O-N 3.07Å; E1519-K1521 HydrophobicContact CB-CG 4.42Å; E1519-K1521 PolarHBondContact O-N 3.23Å; E1519-K1521 WeakPolarHBondContact OE2-CE 3.18Å; E1519-K1521 IonicContact OE2-NZ 3.16Å; E1519-K1521 PolarHBondContact OE2-NZ 2.94Å |
| 1520 | C | 77.6 | Confident | 66.6 | Low | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 96.1 | 174.3 | -76.4 | 0 | 0 | 0 | 0 | 111.1 | V1497 P1499 G1500 S1501 C1503 C1509 | V1497-C1520 VanDerWaalsContact CG2-SG 3.6Å; P1499-C1520 CarbonylContact C-O 3.52Å; P1499-C1520 WeakPolarHBondContact CA-O 3.36Å; G1500-C1520 PolarHBondContact N-O 2.04Å; S1501-C1520 PolarHBondContact O-N 2.75Å; C1503-C1520 WeakPolarHBondContact CB-SG 3.47Å; C1509-C1520 WeakPolarHBondContact CA-SG 3.24Å; C1509-C1520 HydrophobicContact CB-CB 3.8Å; C1509-C1520 WeakPolarHBondContact CB-SG 3.14Å; C1509-C1520 WeakPolarHBondContact SG-CA 3.01Å; C1509-C1520 WeakPolarHBondContact SG-CB 3.4Å; C1509-C1520 CovalentContact SG-SG 2.04Å; C1509-C1520 PolarHBondContact SG-SG 3.42Å |
| 1521 | K | 77.4 | Confident | 66.1 | Low | 84 Ų | 84 | 74.1 Ų | 74.1 | 37% | 0.365 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 141.7 | -178.7 | -73.3 | 170.5 | 177.1 | 158.1 | 0 | 111 | S1513 T1514 E1519 | S1513-K1521 CarbonylContact C-O 3.54Å; S1513-K1521 WeakPolarHBondContact CA-O 3.42Å; S1513-K1521 WeakPolarHBondContact CB-O 3.15Å; T1514-K1521 PolarHBondContact N-O 3.24Å; T1514-K1521 PolarHBondContact O-N 2.99Å; T1514-K1521 PolarHBondContact OG1-O 3.46Å; E1519-K1521 HydrophobicContact CB-CG 4.42Å; E1519-K1521 PolarHBondContact O-N 3.23Å; E1519-K1521 WeakPolarHBondContact OE2-CE 3.18Å; E1519-K1521 IonicContact OE2-NZ 3.16Å; E1519-K1521 PolarHBondContact OE2-NZ 2.94Å |
| 1522 | C | 75.1 | Confident | 65.9 | Low | 24 Ų | 24 | 80.7 Ų | 80.7 | 16% | 0.162 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 146.2 | 172.3 | -68.3 | 0 | 0 | 0 | 0 | 110.4 | M1526 C1533 | C1522-M1526 HydrophobicContact CB-CB 4.13Å; C1522-M1526 VanDerWaalsContact CB-O 3.28Å; C1522-M1526 WeakPolarHBondContact CB-O 3.49Å; C1522-C1533 WeakPolarHBondContact CA-SG 3.47Å; C1522-C1533 HydrophobicContact CB-CB 3.78Å; C1522-C1533 WeakPolarHBondContact CB-SG 3.47Å; C1522-C1533 VanDerWaalsContact SG-CA 3.52Å; C1522-C1533 WeakPolarHBondContact SG-CB 3.45Å; C1522-C1533 CovalentContact SG-SG 2.04Å; C1522-C1533 PolarHBondContact SG-SG 3.11Å |
| 1523 | P | 68.2 | Low | 65.7 | Low | 52 Ų | 52 | 79.1 Ų | 79.1 | 34% | 0.338 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -55 | 154 | 168.4 | -24.6 | 34.8 | 0 | 0 | 0 | 111.6 | G1512 G1525 M1526 | G1512-P1523 VanDerWaalsContact O-CD 3.27Å; G1512-P1523 WeakPolarHBondContact O-CD 3.03Å; P1523-G1525 PolarHBondContact O-N 2.03Å; P1523-M1526 PolarHBondContact O-N 2.75Å; P1523-M1526 VanDerWaalsContact O-N 3.12Å |
| 1524 | E | 53.2 | Low | 64.9 | Low | 205 Ų | 205 | 82.2 Ų | 82.2 | 96% | 0.958 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 131.9 | 179.5 | -66.1 | -172.4 | 126.2 | 0 | 0 | 111.5 | ||
| 1525 | G | 49 | Very low | 63.5 | Low | 53 Ų | 53 | 85.6 Ų | 85.6 | 55% | 0.546 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -3.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116 | P1523 | P1523-G1525 PolarHBondContact O-N 2.03Š|
| 1526 | M | 62.1 | Low | 62.1 | Low | 76 Ų | 76 | 82.4 Ų | 82.4 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | trans | -115.4 | 142.1 | 174.1 | -66.6 | -174.7 | -179.6 | 0 | 0 | 112.5 | C1522 P1523 C1533 Q1534 L1535 | C1522-M1526 HydrophobicContact CB-CB 4.13Å; C1522-M1526 VanDerWaalsContact CB-O 3.28Å; C1522-M1526 WeakPolarHBondContact CB-O 3.49Å; P1523-M1526 PolarHBondContact O-N 2.75Å; P1523-M1526 VanDerWaalsContact O-N 3.12Å; M1526-C1533 HydrophobicContact CB-CB 4.04Å; M1526-C1533 HydrophobicContact SD-CB 4.11Å; M1526-Q1534 WeakPolarHBondContact CA-O 3.29Å; M1526-Q1534 WeakPolarHBondContact CB-O 3.25Å; M1526-L1535 HydrophobicContact CE-CG 4.38Å | ||
| 1527 | M | 54.7 | Low | 61.3 | Low | 66 Ų | 66 | 84 Ų | 84 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 164.4 | 173.2 | -58.7 | -151.2 | -56.4 | 0 | 0 | 111.3 | I1529 C1533 Q1534 A1536 E1548 I1550 | M1527-I1529 PolarHBondContact O-N 2.84Å; M1527-C1533 WeakPolarHBondContact O-CA 3.45Å; M1527-Q1534 PolarHBondContact N-O 3.28Å; M1527-Q1534 PolarHBondContact O-N 2.89Å; M1527-A1536 HydrophobicContact CB-CB 3.94Å; M1527-A1536 HydrophobicContact CE-CB 3.64Å; M1527-A1536 HydrophobicContact CG-CB 3.97Å; M1527-E1548 HydrophobicContact CE-CB 4.25Å; M1527-I1550 HydrophobicContact CE-CG1 4.01Å; M1527-I1550 HydrophobicContact CG-CD1 4.05Å; M1527-I1550 HydrophobicContact CG-CG1 3.91Å; M1527-I1550 HydrophobicContact SD-CG1 3.97Å |
| 1528 | I | 63.2 | Low | 61.1 | Low | 74 Ų | 74 | 80.3 Ų | 80.3 | 38% | 0.379 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 109 | 179.1 | -46.5 | 173.4 | 0 | 0 | 0 | 108 | P1499 R1532 | P1499-I1528 HydrophobicContact CB-CB 4.32Å; P1499-I1528 HydrophobicContact CB-CD1 3.63Å; P1499-I1528 HydrophobicContact CB-CG1 3.58Å; P1499-I1528 HydrophobicContact CB-CG2 3.88Å; P1499-I1528 HydrophobicContact CG-CG1 4.46Å; P1499-I1528 HydrophobicContact CG-CG2 4.15Å; I1528-R1532 WeakPolarHBondContact CA-O 3.05Å |
| 1529 | I | 58.4 | Low | 60.7 | Low | 28 Ų | 28 | 79 Ų | 79 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 121.6 | 175.4 | -54.4 | -168.3 | 0 | 0 | 0 | 107.7 | M1527 Q1531 R1532 Q1534 A1536 E1548 | M1527-I1529 PolarHBondContact O-N 2.84Å; I1529-Q1531 VanDerWaalsContact C-N 3.31Å; I1529-Q1531 PolarHBondContact O-N 3.26Å; I1529-R1532 PolarHBondContact N-O 3.35Å; I1529-R1532 PolarHBondContact O-N 2.79Å; I1529-R1532 VanDerWaalsContact O-O 3.06Å; I1529-Q1534 HydrophobicContact CB-CB 4.18Å; I1529-Q1534 HydrophobicContact CB-CG 4.11Å; I1529-Q1534 HydrophobicContact CD1-CB 4.32Å; I1529-Q1534 HydrophobicContact CG1-CB 4.35Å; I1529-Q1534 PolarHBondContact O-NE2 3.37Å; I1529-A1536 HydrophobicContact CD1-CB 3.97Å; I1529-E1548 WeakPolarHBondContact CA-OE2 3.04Å; I1529-E1548 HydrophobicContact CD1-CB 3.84Å; I1529-E1548 HydrophobicContact CG1-CB 3.85Å; I1529-E1548 HydrophobicContact CG1-CG 4.19Å; I1529-E1548 WeakPolarHBondContact CG1-OE2 3.17Å; I1529-E1548 WeakPolarHBondContact CG2-OE2 3.36Å |
| 1530 | D | 55.3 | Low | 61.1 | Low | 146 Ų | 146 | 75.5 Ų | 75.5 | 78% | 0.781 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 49.4 | -177.6 | -66.4 | -41.2 | 0 | 0 | 0 | 113.6 | R1532 | D1530-R1532 PolarHBondContact O-N 2.72Š|
| 1531 | Q | 63.2 | Low | 60.8 | Low | 115 Ų | 115 | 75.7 Ų | 75.7 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 15.5 | -177.1 | -54 | -66.6 | 11.6 | 0 | 0 | 115.2 | P1498 P1499 G1511 I1529 | P1498-Q1531 HydrophobicContact CB-CB 4.38Å; P1498-Q1531 HydrophobicContact CB-CG 4.45Å; P1499-Q1531 WeakPolarHBondContact CD-O 3.48Å; G1511-Q1531 WeakPolarHBondContact CA-O 3.43Å; I1529-Q1531 VanDerWaalsContact C-N 3.31Å; I1529-Q1531 PolarHBondContact O-N 3.26Å |
| 1532 | R | 59.9 | Low | 60.6 | Low | 168 Ų | 168 | 76.5 Ų | 76.5 | 63% | 0.634 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 148.3 | 168.9 | -70.8 | -173.2 | 175.8 | -162.2 | 1.1 | 111.3 | G1511 I1528 I1529 D1530 Q1534 | G1511-R1532 CarbonylContact O-C 3.51Å; G1511-R1532 WeakPolarHBondContact O-CA 3.36Å; I1528-R1532 WeakPolarHBondContact CA-O 3.05Å; I1529-R1532 PolarHBondContact N-O 3.35Å; I1529-R1532 PolarHBondContact O-N 2.79Å; I1529-R1532 VanDerWaalsContact O-O 3.06Å; D1530-R1532 PolarHBondContact O-N 2.72Å; R1532-Q1534 HydrophobicContact CB-CG 3.77Å; R1532-Q1534 PolarHBondContact O-N 2.82Å |
| 1533 | C | 64.3 | Low | 60.8 | Low | 14 Ų | 14 | 82.1 Ų | 82.1 | 10% | 0.095 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 108.4 | 162 | -63.5 | 0 | 0 | 0 | 0 | 107 | G1511 G1512 S1513 C1522 M1526 M1527 | G1511-C1533 PolarHBondContact O-N 3.14Å; G1512-C1533 VanDerWaalsContact C-SG 3.52Å; S1513-C1533 VanDerWaalsContact CA-SG 3.54Å; S1513-C1533 VanDerWaalsContact CB-SG 3.6Å; S1513-C1533 PolarHBondContact N-SG 2.93Å; C1522-C1533 WeakPolarHBondContact CA-SG 3.47Å; C1522-C1533 HydrophobicContact CB-CB 3.78Å; C1522-C1533 WeakPolarHBondContact CB-SG 3.47Å; C1522-C1533 VanDerWaalsContact SG-CA 3.52Å; C1522-C1533 WeakPolarHBondContact SG-CB 3.45Å; C1522-C1533 CovalentContact SG-SG 2.04Å; C1522-C1533 PolarHBondContact SG-SG 3.11Å; M1526-C1533 HydrophobicContact CB-CB 4.04Å; M1526-C1533 HydrophobicContact SD-CB 4.11Å; M1527-C1533 WeakPolarHBondContact O-CA 3.45Å |
| 1534 | Q | 60.1 | Low | 61 | Low | 75 Ų | 75 | 83.6 Ų | 83.6 | 35% | 0.35 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 155.8 | 179.4 | -56.4 | -165.2 | 55.1 | 0 | 0 | 109.6 | M1526 M1527 I1529 R1532 A1536 | M1526-Q1534 WeakPolarHBondContact CA-O 3.29Å; M1526-Q1534 WeakPolarHBondContact CB-O 3.25Å; M1527-Q1534 PolarHBondContact N-O 3.28Å; M1527-Q1534 PolarHBondContact O-N 2.89Å; I1529-Q1534 HydrophobicContact CB-CB 4.18Å; I1529-Q1534 HydrophobicContact CB-CG 4.11Å; I1529-Q1534 HydrophobicContact CD1-CB 4.32Å; I1529-Q1534 HydrophobicContact CG1-CB 4.35Å; I1529-Q1534 PolarHBondContact O-NE2 3.37Å; R1532-Q1534 HydrophobicContact CB-CG 3.77Å; R1532-Q1534 PolarHBondContact O-N 2.82Å; Q1534-A1536 VanDerWaalsContact C-N 3.32Å; Q1534-A1536 PolarHBondContact O-N 2.79Å |
| 1535 | L | 44.8 | Very low | 61.9 | Low | 140 Ų | 140 | 74 Ų | 74 | 73% | 0.733 | 39% | 0.386 | S | S | * | . | trans | -65.5 | 98.5 | 160.2 | -78.8 | 157 | 0 | 0 | 0 | 107 | M1526 | M1526-L1535 HydrophobicContact CE-CG 4.38Š| ||
| 1536 | A | 44 | Very low | 62.4 | Low | 3 Ų | 3 | 81.4 Ų | 81.4 | 3% | 0.025 | 40% | 0.397 | C | S | . | . | trans | -61.7 | 141 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1527 I1529 Q1534 T1538 E1548 I1550 | M1527-A1536 HydrophobicContact CB-CB 3.94Å; M1527-A1536 HydrophobicContact CE-CB 3.64Å; M1527-A1536 HydrophobicContact CG-CB 3.97Å; I1529-A1536 HydrophobicContact CD1-CB 3.97Å; Q1534-A1536 VanDerWaalsContact C-N 3.32Å; Q1534-A1536 PolarHBondContact O-N 2.79Å; A1536-T1538 PolarHBondContact O-N 3.33Å; A1536-E1548 WeakPolarHBondContact CB-O 3.38Å; A1536-I1550 HydrophobicContact CB-CB 4.26Å; A1536-I1550 HydrophobicContact CB-CD1 3.63Å; A1536-I1550 HydrophobicContact CB-CG1 3.57Å | ||
| 1537 | K | 52.5 | Low | 61.8 | Low | 147 Ų | 147 | 84.9 Ų | 84.9 | 64% | 0.639 | 42% | 0.417 | S | S | * | . | trans | -56.3 | 137.8 | -176.4 | -68.7 | 175.3 | 178.8 | 174.8 | 0 | 110.2 | E1549 I1550 | K1537-E1549 HydrophobicContact CB-CB 4.46Å; K1537-E1549 HydrophobicContact CB-CG 4Å; K1537-E1549 VanDerWaalsContact CD-OE1 3.27Å; K1537-E1549 WeakPolarHBondContact CD-OE1 3.34Å; K1537-E1549 CarbonylContact O-C 3.54Å; K1537-E1549 VanDerWaalsContact O-C 3.32Å; K1537-E1549 WeakPolarHBondContact O-CA 3.03Å; K1537-E1549 WeakPolarHBondContact O-CB 3.3Å; K1537-I1550 PolarHBondContact O-N 3.15Å | ||
| 1538 | T | 59.3 | Low | 61.6 | Low | 94 Ų | 94 | 86 Ų | 86 | 58% | 0.577 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.7 | -171.9 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | A1536 I1550 T1552 | A1536-T1538 PolarHBondContact O-N 3.33Å; T1538-I1550 CarbonylContact C-O 3.49Å; T1538-I1550 WeakPolarHBondContact CA-O 3.38Å; T1538-T1552 HydrophobicContact CG2-CG2 3.52Å |
| 1539 | A | 64.2 | Low | 61.2 | Low | 5 Ų | 5 | 85.5 Ų | 85.5 | 4% | 0.041 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | E1549 I1550 C1551 T1552 C1562 | A1539-E1549 HydrophobicContact CB-CB 4.34Å; A1539-I1550 PolarHBondContact N-O 3.3Å; A1539-C1551 CarbonylContact O-C 3.52Å; A1539-C1551 VanDerWaalsContact O-CA 3.28Å; A1539-C1551 WeakPolarHBondContact O-CA 3.04Å; A1539-T1552 VanDerWaalsContact C-OG1 3.24Å; A1539-T1552 PolarHBondContact O-N 2.95Å; A1539-T1552 PolarHBondContact O-OG1 2.03Å; A1539-T1552 VanDerWaalsContact O-OG1 3.11Å; A1539-C1562 PolarHBondContact O-SG 2.7Å |
| 1540 | P | 76.1 | Confident | 61.5 | Low | 17 Ų | 17 | 86.2 Ų | 86.2 | 11% | 0.11 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -76 | 172 | -176.4 | 27.7 | -31.2 | 0 | 0 | 0 | 112.4 | T1542 Y1543 T1552 C1562 E1573 | P1540-T1542 PolarHBondContact O-N 3.35Å; P1540-Y1543 HydrophobicContact CG-CD2 3.56Å; P1540-Y1543 HydrophobicContact CG-CE2 3.75Å; P1540-Y1543 HydrophobicContact CG-CG 4.01Å; P1540-Y1543 WeakPolarHBondContact O-CB 3.37Å; P1540-Y1543 PolarHBondContact O-N 2.75Å; P1540-Y1543 VanDerWaalsContact O-N 3.09Å; P1540-T1552 WeakPolarHBondContact CA-OG1 3.16Å; P1540-C1562 WeakPolarHBondContact O-CB 3.36Å; P1540-E1573 WeakPolarHBondContact CB-OE2 3.42Å; P1540-E1573 WeakPolarHBondContact CG-OE2 3.35Å |
| 1541 | P | 72.7 | Confident | 62.2 | Low | 3 Ų | 3 | 80.2 Ų | 80.2 | 2% | 0.019 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 138.9 | -179.6 | -22.5 | 32 | 0 | 0 | 0 | 112.4 | P1570 E1573 | P1541-P1570 HydrophobicContact CB-CB 3.51Å; P1541-P1570 HydrophobicContact CB-CG 4.38Å; P1541-P1570 HydrophobicContact CG-CB 4.07Å; P1541-E1573 WeakPolarHBondContact CD-O 3.35Å |
| 1542 | T | 71.7 | Confident | 62.9 | Low | 102 Ų | 102 | 76.9 Ų | 76.9 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | -4.9 | -170.8 | 72.5 | 0 | 0 | 0 | 0 | 117.5 | P1540 C1562 | P1540-T1542 PolarHBondContact O-N 3.35Å; T1542-C1562 WeakPolarHBondContact CA-O 3.31Å; T1542-C1562 PolarHBondContact N-O 2.84Å |
| 1543 | Y | 79.5 | Confident | 63.5 | Low | 141 Ų | 141 | 70 Ų | 70 | 55% | 0.553 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -80.5 | 153.6 | 175 | -81.8 | -115.5 | 0 | 0 | 0 | 113.1 | P1540 C1545 I1561 C1562 | P1540-Y1543 HydrophobicContact CG-CD2 3.56Å; P1540-Y1543 HydrophobicContact CG-CE2 3.75Å; P1540-Y1543 HydrophobicContact CG-CG 4.01Å; P1540-Y1543 WeakPolarHBondContact O-CB 3.37Å; P1540-Y1543 PolarHBondContact O-N 2.75Å; P1540-Y1543 VanDerWaalsContact O-N 3.09Å; Y1543-C1545 PolarHBondContact O-N 2.84Å; Y1543-I1561 CarbonylContact O-C 3.56Å; Y1543-I1561 WeakPolarHBondContact O-CA 3.38Å; Y1543-I1561 WeakPolarHBondContact O-CG2 3.4Å; Y1543-C1562 PolarHBondContact O-N 3.47Å |
| 1544 | S | 72.8 | Confident | 63.9 | Low | 84 Ų | 84 | 71.6 Ų | 71.6 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -76 | 119.2 | 177.3 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | G1560 | S1544-G1560 CarbonylContact C-O 3.48Å; S1544-G1560 WeakPolarHBondContact CA-O 3.44Å |
| 1545 | C | 72 | Confident | 64.9 | Low | 4 Ų | 4 | 68.5 Ų | 68.5 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 124.2 | 170.1 | 46.6 | 0 | 0 | 0 | 0 | 110.4 | Y1543 C1557 G1560 I1561 | Y1543-C1545 PolarHBondContact O-N 2.84Å; C1545-C1557 HydrophobicContact CB-CB 3.97Å; C1545-C1557 WeakPolarHBondContact CB-SG 3.08Å; C1545-C1557 WeakPolarHBondContact SG-CA 3.39Å; C1545-C1557 WeakPolarHBondContact SG-CB 3.36Å; C1545-C1557 CovalentContact SG-SG 2.03Å; C1545-C1557 PolarHBondContact SG-SG 2.95Å; C1545-G1560 PolarHBondContact N-O 3.36Å; C1545-G1560 CarbonylContact O-C 3.53Å; C1545-G1560 WeakPolarHBondContact O-CA 3.36Å; C1545-I1561 PolarHBondContact SG-N 2.85Å |
| 1546 | R | 59.2 | Low | 66.3 | Low | 207 Ų | 207 | 66.1 Ų | 66.1 | 78% | 0.781 | 35% | 0.349 | S | S | * | . | trans | -124.5 | 158.4 | 160.7 | -79.1 | 179.7 | 164 | -168.4 | -7.6 | 107.9 | E1548 E1549 | R1546-E1548 PolarHBondContact O-N 3.03Å; R1546-E1549 PolarHBondContact O-N 3.29Å | ||
| 1547 | N | 50 | Low | 67.8 | Low | 149 Ų | 149 | 69.4 Ų | 69.4 | 80% | 0.797 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 15.3 | 94.1 | 170.6 | -61.3 | 19.8 | 0 | 0 | 0 | 115 | ||
| 1548 | E | 49.8 | Very low | 68.7 | Low | 89 Ų | 89 | 66.6 Ų | 66.6 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 23.4 | 166.4 | -62.6 | 147.6 | -140.7 | 0 | 0 | 117.7 | M1527 I1529 A1536 R1546 | M1527-E1548 HydrophobicContact CE-CB 4.25Å; I1529-E1548 WeakPolarHBondContact CA-OE2 3.04Å; I1529-E1548 HydrophobicContact CD1-CB 3.84Å; I1529-E1548 HydrophobicContact CG1-CB 3.85Å; I1529-E1548 HydrophobicContact CG1-CG 4.19Å; I1529-E1548 WeakPolarHBondContact CG1-OE2 3.17Å; I1529-E1548 WeakPolarHBondContact CG2-OE2 3.36Å; A1536-E1548 WeakPolarHBondContact CB-O 3.38Å; R1546-E1548 PolarHBondContact O-N 3.03Å |
| 1549 | E | 56.5 | Low | 69.1 | Low | 64 Ų | 64 | 70 Ų | 70 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 125.5 | 163.4 | -53.6 | -158.9 | 137.8 | 0 | 0 | 111.7 | K1537 A1539 R1546 | K1537-E1549 HydrophobicContact CB-CB 4.46Å; K1537-E1549 HydrophobicContact CB-CG 4Å; K1537-E1549 VanDerWaalsContact CD-OE1 3.27Å; K1537-E1549 WeakPolarHBondContact CD-OE1 3.34Å; K1537-E1549 CarbonylContact O-C 3.54Å; K1537-E1549 VanDerWaalsContact O-C 3.32Å; K1537-E1549 WeakPolarHBondContact O-CA 3.03Å; K1537-E1549 WeakPolarHBondContact O-CB 3.3Å; A1539-E1549 HydrophobicContact CB-CB 4.34Å; R1546-E1549 PolarHBondContact O-N 3.29Å |
| 1550 | I | 64.7 | Low | 69.2 | Low | 43 Ų | 43 | 71 Ų | 71 | 22% | 0.221 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.7 | 173 | -81.4 | 167.2 | 0 | 0 | 0 | 109.2 | M1527 A1536 K1537 T1538 A1539 T1552 | M1527-I1550 HydrophobicContact CE-CG1 4.01Å; M1527-I1550 HydrophobicContact CG-CD1 4.05Å; M1527-I1550 HydrophobicContact CG-CG1 3.91Å; M1527-I1550 HydrophobicContact SD-CG1 3.97Å; A1536-I1550 HydrophobicContact CB-CB 4.26Å; A1536-I1550 HydrophobicContact CB-CD1 3.63Å; A1536-I1550 HydrophobicContact CB-CG1 3.57Å; K1537-I1550 PolarHBondContact O-N 3.15Å; T1538-I1550 CarbonylContact C-O 3.49Å; T1538-I1550 WeakPolarHBondContact CA-O 3.38Å; A1539-I1550 PolarHBondContact N-O 3.3Å; I1550-T1552 PolarHBondContact O-N 2.04Å |
| 1551 | C | 70.2 | Confident | 69 | Low | 20 Ų | 20 | 73.9 Ų | 73.9 | 14% | 0.135 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 119.1 | 169.3 | -65 | 0 | 0 | 0 | 0 | 111 | A1539 S1555 F1556 C1557 C1562 | A1539-C1551 CarbonylContact O-C 3.52Å; A1539-C1551 VanDerWaalsContact O-CA 3.28Å; A1539-C1551 WeakPolarHBondContact O-CA 3.04Å; C1551-S1555 VanDerWaalsContact CB-C 3.49Å; C1551-S1555 WeakPolarHBondContact CB-O 3.43Å; C1551-S1555 WeakPolarHBondContact CB-OG 3.08Å; C1551-F1556 VanDerWaalsContact SG-C 3.53Å; C1551-C1557 VanDerWaalsContact SG-CA 3.56Å; C1551-C1557 PolarHBondContact SG-N 2.79Å; C1551-C1562 WeakPolarHBondContact CA-SG 3.05Å; C1551-C1562 HydrophobicContact CB-CB 3.65Å; C1551-C1562 WeakPolarHBondContact CB-SG 3.04Å; C1551-C1562 WeakPolarHBondContact SG-CA 3.44Å; C1551-C1562 WeakPolarHBondContact SG-CB 3.41Å; C1551-C1562 CovalentContact SG-SG 2.04Å; C1551-C1562 PolarHBondContact SG-SG 3.19Å |
| 1552 | T | 77.3 | Confident | 69.3 | Low | 46 Ų | 46 | 73.7 Ų | 73.7 | 28% | 0.282 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 173.8 | -178.4 | 21.1 | 0 | 0 | 0 | 0 | 112.3 | T1538 A1539 P1540 I1550 G1554 S1555 | T1538-T1552 HydrophobicContact CG2-CG2 3.52Å; A1539-T1552 VanDerWaalsContact C-OG1 3.24Å; A1539-T1552 PolarHBondContact O-N 2.95Å; A1539-T1552 PolarHBondContact O-OG1 2.03Å; A1539-T1552 VanDerWaalsContact O-OG1 3.11Å; P1540-T1552 WeakPolarHBondContact CA-OG1 3.16Å; I1550-T1552 PolarHBondContact O-N 2.04Å; T1552-G1554 PolarHBondContact O-N 3.01Å; T1552-G1554 VanDerWaalsContact O-N 3.16Å; T1552-S1555 PolarHBondContact O-N 3.03Å; T1552-S1555 VanDerWaalsContact O-N 3.09Å; T1552-S1555 PolarHBondContact O-OG 3.36Å |
| 1553 | G | 71.6 | Confident | 69.7 | Low | 22 Ų | 22 | 70.9 Ų | 70.9 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 12 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1555 E1573 C1575 | G1553-S1555 VanDerWaalsContact C-N 3.3Å; G1553-E1573 WeakPolarHBondContact CA-O 3.46Å; G1553-C1575 WeakPolarHBondContact O-CA 3.42Å; G1553-C1575 VanDerWaalsContact O-CB 3.23Å; G1553-C1575 WeakPolarHBondContact O-CB 3.35Å; G1553-C1575 PolarHBondContact O-N 2.96Å |
| 1554 | G | 73.6 | Confident | 69.7 | Low | 48 Ų | 48 | 65.3 Ų | 65.3 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 12.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1552 P1565 | T1552-G1554 PolarHBondContact O-N 3.01Å; T1552-G1554 VanDerWaalsContact O-N 3.16Å; G1554-P1565 WeakPolarHBondContact O-CD 3.2Å; G1554-P1565 WeakPolarHBondContact O-CG 3.25Å |
| 1555 | S | 80.3 | Confident | 69.7 | Low | 10 Ų | 10 | 63.3 Ų | 63.3 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | trans | -75.7 | 164.3 | 166.7 | 61.2 | 0 | 0 | 0 | 0 | 112 | C1551 T1552 G1553 T1563 C1575 | C1551-S1555 VanDerWaalsContact CB-C 3.49Å; C1551-S1555 WeakPolarHBondContact CB-O 3.43Å; C1551-S1555 WeakPolarHBondContact CB-OG 3.08Å; T1552-S1555 PolarHBondContact O-N 3.03Å; T1552-S1555 VanDerWaalsContact O-N 3.09Å; T1552-S1555 PolarHBondContact O-OG 3.36Å; G1553-S1555 VanDerWaalsContact C-N 3.3Å; S1555-T1563 CarbonylContact C-O 3.58Å; S1555-T1563 VanDerWaalsContact CA-O 3.25Å; S1555-T1563 WeakPolarHBondContact CA-O 3.5Å; S1555-T1563 VanDerWaalsContact CB-O 3.28Å; S1555-T1563 WeakPolarHBondContact CB-O 3.37Å; S1555-C1575 PolarHBondContact N-SG 2.84Å | ||
| 1556 | F | 75.4 | Confident | 69.1 | Low | 91 Ų | 91 | 73.7 Ų | 73.7 | 40% | 0.399 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 150.1 | 179.7 | 73.7 | -78.2 | 0 | 0 | 0 | 111 | C1551 L1558 C1562 T1563 P1565 | C1551-F1556 VanDerWaalsContact SG-C 3.53Å; F1556-L1558 HydrophobicContact CD2-CB 4.38Å; F1556-L1558 HydrophobicContact CE2-CB 3.82Å; F1556-L1558 HydrophobicContact CE2-CD1 4.22Å; F1556-L1558 HydrophobicContact CE2-CD2 4.34Å; F1556-L1558 HydrophobicContact CE2-CG 4.34Å; F1556-L1558 HydrophobicContact CZ-CB 4.31Å; F1556-L1558 HydrophobicContact CZ-CD2 4.26Å; F1556-L1558 PolarHBondContact O-N 3.19Å; F1556-C1562 CarbonylContact O-C 3.48Å; F1556-C1562 WeakPolarHBondContact O-CA 3.19Å; F1556-T1563 WeakPolarHBondContact CD1-O 3.45Å; F1556-T1563 WeakPolarHBondContact CE1-O 3Å; F1556-T1563 PolarHBondContact N-O 2.85Å; F1556-T1563 PolarHBondContact O-N 2.03Å; F1556-T1563 PolarHBondContact O-OG1 2.79Å; F1556-P1565 HydrophobicContact CD1-CG 4.16Å |
| 1557 | C | 75.2 | Confident | 69.4 | Low | 71 Ų | 71 | 66.9 Ų | 66.9 | 48% | 0.48 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 113.1 | -175.1 | -171.4 | 0 | 0 | 0 | 0 | 111 | C1545 C1551 | C1545-C1557 HydrophobicContact CB-CB 3.97Å; C1545-C1557 WeakPolarHBondContact CB-SG 3.08Å; C1545-C1557 WeakPolarHBondContact SG-CA 3.39Å; C1545-C1557 WeakPolarHBondContact SG-CB 3.36Å; C1545-C1557 CovalentContact SG-SG 2.03Å; C1545-C1557 PolarHBondContact SG-SG 2.95Å; C1551-C1557 VanDerWaalsContact SG-CA 3.56Å; C1551-C1557 PolarHBondContact SG-N 2.79Å |
| 1558 | L | 70.4 | Confident | 70.6 | Confident | 89 Ų | 89 | 62.4 Ų | 62.4 | 47% | 0.466 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.6 | 176.9 | -174.1 | 68.3 | 0 | 0 | 0 | 110 | F1556 G1560 I1561 | F1556-L1558 HydrophobicContact CD2-CB 4.38Å; F1556-L1558 HydrophobicContact CE2-CB 3.82Å; F1556-L1558 HydrophobicContact CE2-CD1 4.22Å; F1556-L1558 HydrophobicContact CE2-CD2 4.34Å; F1556-L1558 HydrophobicContact CE2-CG 4.34Å; F1556-L1558 HydrophobicContact CZ-CB 4.31Å; F1556-L1558 HydrophobicContact CZ-CD2 4.26Å; F1556-L1558 PolarHBondContact O-N 3.19Å; L1558-G1560 PolarHBondContact O-N 2.04Å; L1558-I1561 PolarHBondContact N-O 2.74Å; L1558-I1561 PolarHBondContact O-N 3.34Å |
| 1559 | N | 68 | Low | 71.6 | Confident | 165 Ų | 165 | 62.5 Ų | 62.5 | 88% | 0.882 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 29 | -177 | -65.3 | -12.5 | 0 | 0 | 0 | 114.5 | ||
| 1560 | G | 67.3 | Low | 72.1 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 27% | 0.268 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 22.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1544 C1545 L1558 | S1544-G1560 CarbonylContact C-O 3.48Å; S1544-G1560 WeakPolarHBondContact CA-O 3.44Å; C1545-G1560 PolarHBondContact N-O 3.36Å; C1545-G1560 CarbonylContact O-C 3.53Å; C1545-G1560 WeakPolarHBondContact O-CA 3.36Å; L1558-G1560 PolarHBondContact O-N 2.04Å |
| 1561 | I | 72.1 | Confident | 72.1 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 40% | 0.395 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.1 | 168.5 | -54.4 | 179.2 | 0 | 0 | 0 | 110 | Y1543 C1545 L1558 T1563 | Y1543-I1561 CarbonylContact O-C 3.56Å; Y1543-I1561 WeakPolarHBondContact O-CA 3.38Å; Y1543-I1561 WeakPolarHBondContact O-CG2 3.4Å; C1545-I1561 PolarHBondContact SG-N 2.85Å; L1558-I1561 PolarHBondContact N-O 2.74Å; L1558-I1561 PolarHBondContact O-N 3.34Å; I1561-T1563 HydrophobicContact CB-CG2 4.36Å; I1561-T1563 HydrophobicContact CG2-CG2 3.97Å; I1561-T1563 PolarHBondContact O-N 3.41Å |
| 1562 | C | 78 | Confident | 71.7 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 114.8 | 170.3 | -70 | 0 | 0 | 0 | 0 | 109.6 | A1539 P1540 T1542 Y1543 C1551 F1556 | A1539-C1562 PolarHBondContact O-SG 2.7Å; P1540-C1562 WeakPolarHBondContact O-CB 3.36Å; T1542-C1562 WeakPolarHBondContact CA-O 3.31Å; T1542-C1562 PolarHBondContact N-O 2.84Å; Y1543-C1562 PolarHBondContact O-N 3.47Å; C1551-C1562 WeakPolarHBondContact CA-SG 3.05Å; C1551-C1562 HydrophobicContact CB-CB 3.65Å; C1551-C1562 WeakPolarHBondContact CB-SG 3.04Å; C1551-C1562 WeakPolarHBondContact SG-CA 3.44Å; C1551-C1562 WeakPolarHBondContact SG-CB 3.41Å; C1551-C1562 CovalentContact SG-SG 2.04Å; C1551-C1562 PolarHBondContact SG-SG 3.19Å; F1556-C1562 CarbonylContact O-C 3.48Å; F1556-C1562 WeakPolarHBondContact O-CA 3.19Å |
| 1563 | T | 79.1 | Confident | 70.9 | Confident | 42 Ų | 42 | 73.3 Ų | 73.3 | 26% | 0.258 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.8 | -175.3 | 46.9 | 0 | 0 | 0 | 0 | 111.1 | S1555 F1556 I1561 | S1555-T1563 CarbonylContact C-O 3.58Å; S1555-T1563 VanDerWaalsContact CA-O 3.25Å; S1555-T1563 WeakPolarHBondContact CA-O 3.5Å; S1555-T1563 VanDerWaalsContact CB-O 3.28Å; S1555-T1563 WeakPolarHBondContact CB-O 3.37Å; F1556-T1563 WeakPolarHBondContact CD1-O 3.45Å; F1556-T1563 WeakPolarHBondContact CE1-O 3Å; F1556-T1563 PolarHBondContact N-O 2.85Å; F1556-T1563 PolarHBondContact O-N 2.03Å; F1556-T1563 PolarHBondContact O-OG1 2.79Å; I1561-T1563 HydrophobicContact CB-CG2 4.36Å; I1561-T1563 HydrophobicContact CG2-CG2 3.97Å; I1561-T1563 PolarHBondContact O-N 3.41Å |
| 1564 | C | 79.5 | Confident | 70.9 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 143.3 | 179.9 | -68.9 | 0 | 0 | 0 | 0 | 112 | Q1568 P1570 C1575 | C1564-Q1568 HydrophobicContact CB-CB 4.22Å; C1564-Q1568 VanDerWaalsContact CB-O 3.29Å; C1564-Q1568 WeakPolarHBondContact CB-O 3.33Å; C1564-P1570 VanDerWaalsContact SG-CD 3.55Å; C1564-P1570 VanDerWaalsContact SG-N 3.37Å; C1564-C1575 WeakPolarHBondContact CA-SG 3.1Å; C1564-C1575 HydrophobicContact CB-CB 3.74Å; C1564-C1575 WeakPolarHBondContact CB-SG 3.37Å; C1564-C1575 VanDerWaalsContact SG-CA 3.57Å; C1564-C1575 WeakPolarHBondContact SG-CB 3.05Å; C1564-C1575 CovalentContact SG-SG 2.03Å; C1564-C1575 PolarHBondContact SG-SG 2.88Å |
| 1565 | P | 73.4 | Confident | 70.6 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -49.1 | 143 | 168.4 | -28.1 | 35.1 | 0 | 0 | 0 | 111.7 | G1554 F1556 G1567 Q1568 | G1554-P1565 WeakPolarHBondContact O-CD 3.2Å; G1554-P1565 WeakPolarHBondContact O-CG 3.25Å; F1556-P1565 HydrophobicContact CD1-CG 4.16Å; P1565-G1567 PolarHBondContact O-N 3.26Å; P1565-Q1568 PolarHBondContact O-N 2.81Å |
| 1566 | K | 60.7 | Low | 69.6 | Low | 222 Ų | 222 | 77.6 Ų | 77.6 | 97% | 0.965 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 125.1 | 174.6 | -74.5 | -177.2 | 174.1 | 178.2 | 0 | 109.6 | ||
| 1567 | G | 63.7 | Low | 68.3 | Low | 64 Ų | 64 | 77.2 Ų | 77.2 | 66% | 0.66 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | 4.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1565 | P1565-G1567 PolarHBondContact O-N 3.26Š|
| 1568 | Q | 77 | Confident | 66.9 | Low | 56 Ų | 56 | 81.7 Ų | 81.7 | 26% | 0.262 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 149.4 | 171.1 | -56.3 | -174.8 | -14.8 | 0 | 0 | 110.3 | C1564 P1565 C1575 K1576 P1577 | C1564-Q1568 HydrophobicContact CB-CB 4.22Å; C1564-Q1568 VanDerWaalsContact CB-O 3.29Å; C1564-Q1568 WeakPolarHBondContact CB-O 3.33Å; P1565-Q1568 PolarHBondContact O-N 2.81Å; Q1568-C1575 HydrophobicContact CB-CB 3.92Å; Q1568-C1575 VanDerWaalsContact OE1-CB 3.27Å; Q1568-C1575 PolarHBondContact OE1-O 3.45Å; Q1568-K1576 WeakPolarHBondContact CA-O 3.48Å; Q1568-P1577 HydrophobicContact CG-CB 4.22Å |
| 1569 | I | 69.4 | Low | 65.2 | Low | 90 Ų | 90 | 87.8 Ų | 87.8 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.2 | 176.8 | 36.3 | 172.4 | 0 | 0 | 0 | 110.6 | I1571 C1575 K1576 | I1569-I1571 HydrophobicContact CD1-CD1 4.21Å; I1569-I1571 HydrophobicContact CG1-CD1 4.29Å; I1569-I1571 HydrophobicContact CG1-CG1 4.5Å; I1569-I1571 PolarHBondContact O-N 2.8Å; I1569-C1575 WeakPolarHBondContact O-CA 3.36Å; I1569-K1576 PolarHBondContact O-N 3.2Å |
| 1570 | P | 66.7 | Low | 63.5 | Low | 63 Ų | 63 | 83 Ų | 83 | 41% | 0.409 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 106.2 | -174.9 | 30.2 | -32.4 | 0 | 0 | 0 | 110.6 | P1541 C1564 | P1541-P1570 HydrophobicContact CB-CB 3.51Å; P1541-P1570 HydrophobicContact CB-CG 4.38Å; P1541-P1570 HydrophobicContact CG-CB 4.07Å; C1564-P1570 VanDerWaalsContact SG-CD 3.55Å; C1564-P1570 VanDerWaalsContact SG-N 3.37Å |
| 1571 | I | 65 | Low | 61.4 | Low | 82 Ų | 82 | 91.8 Ų | 91.8 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -119 | 106.4 | 178.9 | -58.4 | 176.3 | 0 | 0 | 0 | 108.3 | I1569 V1574 | I1569-I1571 HydrophobicContact CD1-CD1 4.21Å; I1569-I1571 HydrophobicContact CG1-CD1 4.29Å; I1569-I1571 HydrophobicContact CG1-CG1 4.5Å; I1569-I1571 PolarHBondContact O-N 2.8Å; I1571-V1574 PolarHBondContact N-O 2.83Å |
| 1572 | N | 62.3 | Low | 59.3 | Low | 145 Ų | 145 | 95.7 Ų | 95.7 | 78% | 0.775 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 51.9 | 70.4 | -173.6 | -59.7 | 3.8 | 0 | 0 | 0 | 111.2 | V1574 | N1572-V1574 PolarHBondContact O-N 3.23Š|
| 1573 | E | 60.1 | Low | 56.7 | Low | 111 Ų | 111 | 100.9 Ų | 100.9 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | S | Bend | trans | 61.3 | 6.8 | 177.8 | -52.8 | -75 | 81.3 | 0 | 0 | 115.3 | P1540 P1541 G1553 | P1540-E1573 WeakPolarHBondContact CB-OE2 3.42Å; P1540-E1573 WeakPolarHBondContact CG-OE2 3.35Å; P1541-E1573 WeakPolarHBondContact CD-O 3.35Å; G1553-E1573 WeakPolarHBondContact CA-O 3.46Å |
| 1574 | V | 72.5 | Confident | 54.1 | Low | 60 Ų | 60 | 107 Ų | 107 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | trans | -132.4 | 122.5 | -177.3 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | I1571 N1572 K1576 | I1571-V1574 PolarHBondContact N-O 2.83Å; N1572-V1574 PolarHBondContact O-N 3.23Å; V1574-K1576 HydrophobicContact CG1-CG 4.03Å; V1574-K1576 PolarHBondContact O-N 3.35Å; V1574-K1576 VanDerWaalsContact O-N 3.16Å | ||
| 1575 | C | 66.5 | Low | 51.1 | Low | 7 Ų | 7 | 116.4 Ų | 116.4 | 5% | 0.047 | 60% | 0.597 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.2 | 101.2 | 166.8 | -56 | 0 | 0 | 0 | 0 | 109.6 | G1553 S1555 C1564 Q1568 I1569 | G1553-C1575 WeakPolarHBondContact O-CA 3.42Å; G1553-C1575 VanDerWaalsContact O-CB 3.23Å; G1553-C1575 WeakPolarHBondContact O-CB 3.35Å; G1553-C1575 PolarHBondContact O-N 2.96Å; S1555-C1575 PolarHBondContact N-SG 2.84Å; C1564-C1575 WeakPolarHBondContact CA-SG 3.1Å; C1564-C1575 HydrophobicContact CB-CB 3.74Å; C1564-C1575 WeakPolarHBondContact CB-SG 3.37Å; C1564-C1575 VanDerWaalsContact SG-CA 3.57Å; C1564-C1575 WeakPolarHBondContact SG-CB 3.05Å; C1564-C1575 CovalentContact SG-SG 2.03Å; C1564-C1575 PolarHBondContact SG-SG 2.88Å; Q1568-C1575 HydrophobicContact CB-CB 3.92Å; Q1568-C1575 VanDerWaalsContact OE1-CB 3.27Å; Q1568-C1575 PolarHBondContact OE1-O 3.45Å; I1569-C1575 WeakPolarHBondContact O-CA 3.36Å |
| 1576 | K | 59.9 | Low | 48.7 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 44% | 0.443 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 133.3 | 177.8 | -70.3 | 171.3 | -176.7 | 157 | 0 | 109.6 | Q1568 I1569 V1574 | Q1568-K1576 WeakPolarHBondContact CA-O 3.48Å; I1569-K1576 PolarHBondContact O-N 3.2Å; V1574-K1576 HydrophobicContact CG1-CG 4.03Å; V1574-K1576 PolarHBondContact O-N 3.35Å; V1574-K1576 VanDerWaalsContact O-N 3.16Å |
| 1577 | P | 48.9 | Very low | 46.7 | Very low | 83 Ų | 83 | 113.4 Ų | 113.4 | 54% | 0.539 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.6 | 139.7 | 164.7 | 27.5 | -28.8 | 0 | 0 | 0 | 109.5 | Q1568 K1579 | Q1568-P1577 HydrophobicContact CG-CB 4.22Å; P1577-K1579 PolarHBondContact O-N 2.88Å |
| 1578 | E | 45.2 | Very low | 44.9 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 77% | 0.771 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132.2 | 173.6 | -65.4 | -173.8 | 124.3 | 0 | 0 | 110 | ||
| 1579 | K | 33.4 | Very low | 42.3 | Very low | 217 Ų | 217 | 126.8 Ų | 126.8 | 94% | 0.943 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 118.2 | 177.7 | -80.6 | -174 | 172.6 | -175.8 | 0 | 110.5 | P1577 | P1577-K1579 PolarHBondContact O-N 2.88Š|
| 1580 | G | 32.2 | Very low | 40.2 | Very low | 65 Ų | 65 | 127.5 Ų | 127.5 | 67% | 0.67 | 66% | 0.662 | S | S | * | * | trans | 146.1 | 120.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1581 | Y | 24.9 | Very low | 38.1 | Very low | 211 Ų | 211 | 130 Ų | 130 | 83% | 0.827 | 67% | 0.669 | S | S | * | * | trans | 59.7 | 152.2 | 178 | -76.9 | -100.3 | 0 | 0 | 0 | 115.4 | ||||
| 1582 | E | 26.7 | Very low | 36.1 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | cis | -179.1 | 170.1 | -31.3 | -112.2 | -173.4 | -177.6 | 0 | 0 | 104.1 | ||||
| 1583 | P | 24.6 | Very low | 34.2 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 66% | 0.663 | S | S | * | * | trans | -109 | 145.8 | -151.2 | 38.5 | -32.4 | 0 | 0 | 0 | 116 | ||||
| 1584 | L | 22.8 | Very low | 32.4 | Very low | 170 Ų | 170 | 132 Ų | 132 | 89% | 0.89 | 67% | 0.665 | S | S | * | * | 179.4 | 160.4 | 129 | -97.7 | 157.4 | 0 | 0 | 0 | 114.2 | |||||
| 1585 | R | 18.2 | Very low | 30.1 | Very low | 223 Ų | 223 | 130.1 Ų | 130.1 | 84% | 0.842 | 66% | 0.655 | S | S | * | * | trans | -27.7 | 130.9 | 179.4 | -74.3 | 176 | 169.8 | 176 | -3.9 | 119.2 | A1587 | R1585-A1587 PolarHBondContact O-N 3.28Š| ||
| 1586 | S | 21.1 | Very low | 28 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 90% | 0.902 | 69% | 0.689 | S | S | * | * | 44.7 | 46.1 | 109.3 | -164.3 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1587 | A | 18.9 | Very low | 26.3 | Very low | 72 Ų | 72 | 136.7 Ų | 136.7 | 60% | 0.595 | 69% | 0.693 | S | S | * | * | trans | -148.3 | 124.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | R1585 F1589 | R1585-A1587 PolarHBondContact O-N 3.28Å; A1587-F1589 VanDerWaalsContact C-N 3.27Å; A1587-F1589 PolarHBondContact O-N 3.38Å | ||
| 1588 | H | 26.5 | Very low | 25.2 | Very low | 205 Ų | 205 | 137.9 Ų | 137.9 | 95% | 0.949 | 70% | 0.704 | S | S | * | * | 51.6 | 41.1 | 79.9 | -104.8 | 39.2 | 0 | 0 | 0 | 114.8 | |||||
| 1589 | F | 22.9 | Very low | 24.2 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | trans | -110.3 | 144.7 | 155.5 | -102.7 | -90.1 | 0 | 0 | 0 | 110.8 | A1587 | A1587-F1589 VanDerWaalsContact C-N 3.27Å; A1587-F1589 PolarHBondContact O-N 3.38Å | ||
| 1590 | P | 24.2 | Very low | 24 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 69% | 0.688 | 67% | 0.669 | S | S | * | * | trans | -119.4 | 173.5 | -172.7 | 43.3 | -34.3 | 0 | 0 | 0 | 115.8 | ||||
| 1591 | M | 22.6 | Very low | 24.4 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 57% | 0.567 | 66% | 0.655 | S | S | * | * | trans | 71.5 | 95.4 | 162.6 | -54.2 | -175.3 | 77.4 | 0 | 0 | 120.7 | N1609 | M1591-N1609 HydrophobicContact CB-CB 4.29Š| ||
| 1592 | K | 22.9 | Very low | 25.1 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | trans | -176.8 | 138.2 | 134.3 | -95.7 | -169.6 | -162.2 | -137.2 | 0 | 106.2 | D1608 N1609 | K1592-D1608 PolarHBondContact NZ-O 2.84Å; K1592-N1609 HydrophobicContact CD-CB 4.4Å; K1592-N1609 WeakPolarHBondContact CE-OD1 3.25Å; K1592-N1609 HydrophobicContact CG-CB 3.54Å | ||
| 1593 | R | 24.2 | Very low | 26.2 | Very low | 134 Ų | 134 | 115.8 Ų | 115.8 | 51% | 0.506 | 62% | 0.623 | S | S | . | * | cis | 74 | 82.7 | 15.9 | -79.7 | -173.4 | 174.7 | -172.5 | -7 | 116.4 | Y1600 N1609 D1610 K1612 | R1593-Y1600 PolarHBondContact NE-OH 2.96Å; R1593-N1609 WeakPolarHBondContact CB-O 3.11Å; R1593-D1610 IonicContact CZ-OD1 2.71Å; R1593-D1610 IonicContact NH1-OD1 3.36Å; R1593-D1610 PolarHBondContact NH1-OD1 2.94Å; R1593-K1612 VanDerWaalsContact CB-CE 3.47Å | ||
| 1594 | Q | 20.7 | Very low | 27.9 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 54% | 0.542 | 63% | 0.631 | S | S | . | * | trans | -129.2 | 179.6 | 136.3 | -108.2 | 171 | 35.8 | 0 | 0 | 112.3 | C1611 K1612 N1613 | Q1594-C1611 PolarHBondContact NE2-O 2.72Å; Q1594-K1612 HydrophobicContact CG-CB 3.7Å; Q1594-K1612 HydrophobicContact CG-CD 4.3Å; Q1594-K1612 HydrophobicContact CG-CG 3.79Å; Q1594-K1612 PolarHBondContact O-NZ 3.01Å; Q1594-N1613 VanDerWaalsContact CD-N 3.28Å | ||
| 1595 | A | 24.7 | Very low | 29.4 | Very low | 20 Ų | 20 | 113.8 Ų | 113.8 | 17% | 0.165 | 59% | 0.59 | C | S | . | * | trans | -149.6 | 153.2 | -150.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | Y1600 K1612 N1613 | A1595-Y1600 HydrophobicContact CB-CD2 3.82Å; A1595-Y1600 HydrophobicContact CB-CE2 4.34Å; A1595-Y1600 HydrophobicContact CB-CG 4.13Å; A1595-K1612 HydrophobicContact CB-CB 4.06Å; A1595-K1612 HydrophobicContact CB-CD 3.11Å; A1595-K1612 HydrophobicContact CB-CG 4.21Å; A1595-N1613 PolarHBondContact N-OD1 3.03Å; A1595-N1613 PolarHBondContact O-ND2 3.11Å; A1595-N1613 PolarHBondContact O-OD1 3.04Å | ||
| 1596 | N | 22.7 | Very low | 31.6 | Very low | 143 Ų | 143 | 110.5 Ų | 110.5 | 77% | 0.765 | 59% | 0.589 | S | S | * | * | -87.4 | 124.7 | 123.5 | -67.1 | -11.6 | 0 | 0 | 0 | 108.3 | |||||
| 1597 | I | 24.8 | Very low | 33.1 | Very low | 103 Ų | 103 | 106.3 Ų | 106.3 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | 66.5 | 109.2 | 61.4 | -56.3 | 161.3 | 0 | 0 | 0 | 107.8 | |||||
| 1598 | S | 25.5 | Very low | 35.3 | Very low | 109 Ų | 109 | 103.8 Ų | 103.8 | 76% | 0.762 | 53% | 0.533 | S | S | * | . | S | Bend | cis | -130.7 | 7 | 40.1 | 51.6 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1599 | A | 23.6 | Very low | 37 | Very low | 88 Ų | 88 | 95.1 Ų | 95.1 | 73% | 0.727 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -95.9 | 0.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1600 | Y | 30.3 | Very low | 38.9 | Very low | 67 Ų | 67 | 86.7 Ų | 86.7 | 26% | 0.263 | 46% | 0.458 | S | S | . | . | trans | -90 | 2.2 | -168.9 | -98 | -69.6 | 0 | 0 | 0 | 116.2 | R1593 A1595 D1610 K1612 | R1593-Y1600 PolarHBondContact NE-OH 2.96Å; A1595-Y1600 HydrophobicContact CB-CD2 3.82Å; A1595-Y1600 HydrophobicContact CB-CE2 4.34Å; A1595-Y1600 HydrophobicContact CB-CG 4.13Å; Y1600-D1610 WeakPolarHBondContact CE1-O 3.43Å; Y1600-K1612 HydrophobicContact CD1-CB 4.22Å; Y1600-K1612 HydrophobicContact CD1-CD 3.36Å; Y1600-K1612 HydrophobicContact CD1-CG 3.68Å; Y1600-K1612 HydrophobicContact CD2-CD 3.97Å; Y1600-K1612 HydrophobicContact CE1-CD 3.38Å; Y1600-K1612 HydrophobicContact CE1-CG 3.91Å; Y1600-K1612 HydrophobicContact CE2-CD 4Å; Y1600-K1612 HydrophobicContact CG-CB 4.47Å; Y1600-K1612 HydrophobicContact CG-CD 3.66Å; Y1600-K1612 HydrophobicContact CG-CG 4.26Å; Y1600-K1612 WeakPolarHBondContact OH-CE 3.23Å; Y1600-K1612 PolarHBondContact OH-NZ 2.88Å | ||
| 1601 | L | 39.8 | Very low | 40.8 | Very low | 70 Ų | 70 | 81.7 Ų | 81.7 | 37% | 0.366 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -89.1 | -19.5 | -170.9 | -73.1 | 163.4 | 0 | 0 | 0 | 115 | F1615 | L1601-F1615 HydrophobicContact CD2-CE1 4.27Å; L1601-F1615 HydrophobicContact CD2-CE2 3.77Å; L1601-F1615 HydrophobicContact CD2-CZ 3.51Å; L1601-F1615 VanDerWaalsContact O-CE1 3.26Å; L1601-F1615 WeakPolarHBondContact O-CE1 3.48Å |
| 1602 | T | 40.3 | Very low | 42.6 | Very low | 97 Ų | 97 | 77 Ų | 77 | 60% | 0.595 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -144.9 | 15.6 | -177 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | R1621 | T1602-R1621 PolarHBondContact O-NE 3.36Š|
| 1603 | G | 49.4 | Very low | 44.3 | Very low | 29 Ų | 29 | 73 Ų | 73 | 30% | 0.299 | 39% | 0.387 | S | S | . | . | trans | -67.2 | 164.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | R1621 C1622 | G1603-R1621 WeakPolarHBondContact O-CG 3.49Å; G1603-C1622 PolarHBondContact O-N 2.98Å; G1603-C1622 VanDerWaalsContact O-N 3.11Å | ||
| 1604 | R | 59.9 | Low | 45.7 | Very low | 234 Ų | 234 | 67.8 Ų | 67.8 | 88% | 0.883 | 37% | 0.374 | S | S | * | . | B | Isolated β-bridge | trans | -77.1 | 146.4 | 174.6 | -146.3 | -179.6 | -156.3 | -178.1 | 7.2 | 110.3 | G1620 | R1604-G1620 VanDerWaalsContact CA-O 3.28Å; R1604-G1620 WeakPolarHBondContact CA-O 3.39Å; R1604-G1620 WeakPolarHBondContact CG-O 3.02Å |
| 1605 | C | 55.5 | Low | 48.2 | Very low | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.027 | 35% | 0.353 | C | S | . | . | trans | -144.3 | 149.5 | -178.5 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | D1610 C1617 G1620 R1621 | C1605-D1610 WeakPolarHBondContact CA-OD2 3.45Å; C1605-D1610 HydrophobicContact CB-CB 3.52Å; C1605-C1617 VanDerWaalsContact C-SG 3.58Å; C1605-C1617 HydrophobicContact CB-CB 3.92Å; C1605-C1617 WeakPolarHBondContact CB-SG 3.43Å; C1605-C1617 PolarHBondContact O-SG 2.84Å; C1605-C1617 WeakPolarHBondContact SG-CA 3.43Å; C1605-C1617 WeakPolarHBondContact SG-CB 3.36Å; C1605-C1617 CovalentContact SG-SG 2.03Å; C1605-C1617 PolarHBondContact SG-SG 2.85Å; C1605-G1620 PolarHBondContact N-O 3.38Å; C1605-G1620 CarbonylContact O-C 3.6Å; C1605-G1620 WeakPolarHBondContact O-CA 3.19Å; C1605-R1621 WeakPolarHBondContact SG-CA 3.33Å; C1605-R1621 PolarHBondContact SG-N 3.19Å | ||
| 1606 | D | 63 | Low | 50.2 | Low | 154 Ų | 154 | 63.3 Ų | 63.3 | 82% | 0.824 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -99.9 | -9.8 | 168 | -71 | -42.5 | 0 | 0 | 0 | 111.9 | D1610 | D1606-D1610 PolarHBondContact N-OD2 3.4Š|
| 1607 | N | 53.8 | Low | 52.1 | Low | 40 Ų | 40 | 57.6 Ų | 57.6 | 21% | 0.214 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -165.8 | 167.6 | -174.7 | 54.9 | 81.4 | 0 | 0 | 0 | 111.2 | N1609 D1610 C1617 | N1607-N1609 PolarHBondContact O-N 3.08Å; N1607-N1609 WeakPolarHBondContact OD1-CA 3.15Å; N1607-N1609 WeakPolarHBondContact OD1-CB 3.24Å; N1607-N1609 PolarHBondContact OD1-N 3.24Å; N1607-N1609 PolarHBondContact OD1-ND2 2.76Å; N1607-D1610 PolarHBondContact O-N 2.95Å; N1607-C1617 PolarHBondContact N-SG 2.03Å; N1607-C1617 VanDerWaalsContact O-CB 3.26Å; N1607-C1617 WeakPolarHBondContact O-CB 3.38Å |
| 1608 | D | 63.3 | Low | 53.6 | Low | 19 Ų | 19 | 56.3 Ų | 56.3 | 10% | 0.102 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -1 | 179.9 | -63.7 | -39.5 | 0 | 0 | 0 | 114.9 | K1592 C1617 G1655 | K1592-D1608 PolarHBondContact NZ-O 2.84Å; D1608-C1617 PolarHBondContact OD1-N 3.44Å; D1608-G1655 PolarHBondContact OD2-N 2.04Å |
| 1609 | N | 62.8 | Low | 55.1 | Low | 23 Ų | 23 | 57.4 Ų | 57.4 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -16.5 | -178.3 | -42.8 | -19.1 | 0 | 0 | 0 | 111.9 | M1591 K1592 R1593 N1607 C1611 | M1591-N1609 HydrophobicContact CB-CB 4.29Å; K1592-N1609 HydrophobicContact CD-CB 4.4Å; K1592-N1609 WeakPolarHBondContact CE-OD1 3.25Å; K1592-N1609 HydrophobicContact CG-CB 3.54Å; R1593-N1609 WeakPolarHBondContact CB-O 3.11Å; N1607-N1609 PolarHBondContact O-N 3.08Å; N1607-N1609 WeakPolarHBondContact OD1-CA 3.15Å; N1607-N1609 WeakPolarHBondContact OD1-CB 3.24Å; N1607-N1609 PolarHBondContact OD1-N 3.24Å; N1607-N1609 PolarHBondContact OD1-ND2 2.76Å; N1609-C1611 VanDerWaalsContact C-N 3.32Å |
| 1610 | D | 63.3 | Low | 57 | Low | 19 Ų | 19 | 54.4 Ų | 54.4 | 10% | 0.102 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -83.7 | -13.3 | 173.1 | -58.2 | -46.6 | 0 | 0 | 0 | 112.3 | R1593 Y1600 C1605 D1606 N1607 | R1593-D1610 IonicContact CZ-OD1 2.71Å; R1593-D1610 IonicContact NH1-OD1 3.36Å; R1593-D1610 PolarHBondContact NH1-OD1 2.94Å; Y1600-D1610 WeakPolarHBondContact CE1-O 3.43Å; C1605-D1610 WeakPolarHBondContact CA-OD2 3.45Å; C1605-D1610 HydrophobicContact CB-CB 3.52Å; D1606-D1610 PolarHBondContact N-OD2 3.4Å; N1607-D1610 PolarHBondContact O-N 2.95Å |
| 1611 | C | 64.2 | Low | 58.5 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -104.4 | 143.8 | -171.7 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | Q1594 N1609 F1615 C1622 | Q1594-C1611 PolarHBondContact NE2-O 2.72Å; N1609-C1611 VanDerWaalsContact C-N 3.32Å; C1611-F1615 CarbonylContact C-O 3.54Å; C1611-F1615 HydrophobicContact CB-CB 4.13Å; C1611-F1615 WeakPolarHBondContact CB-O 3.02Å; C1611-C1622 WeakPolarHBondContact CA-SG 3.48Å; C1611-C1622 HydrophobicContact CB-CB 3.67Å; C1611-C1622 WeakPolarHBondContact CB-SG 3.35Å; C1611-C1622 WeakPolarHBondContact SG-CA 3.05Å; C1611-C1622 WeakPolarHBondContact SG-CB 3.46Å; C1611-C1622 CovalentContact SG-SG 2.04Å; C1611-C1622 PolarHBondContact SG-SG 3.42Å | ||
| 1612 | K | 60.1 | Low | 59.9 | Low | 17 Ų | 17 | 55.9 Ų | 55.9 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | trans | -138.6 | 147 | -155.5 | -61 | -160.7 | 171.1 | -172.7 | 0 | 113.9 | R1593 Q1594 A1595 Y1600 G1614 F1615 | R1593-K1612 VanDerWaalsContact CB-CE 3.47Å; Q1594-K1612 HydrophobicContact CG-CB 3.7Å; Q1594-K1612 HydrophobicContact CG-CD 4.3Å; Q1594-K1612 HydrophobicContact CG-CG 3.79Å; Q1594-K1612 PolarHBondContact O-NZ 3.01Å; A1595-K1612 HydrophobicContact CB-CB 4.06Å; A1595-K1612 HydrophobicContact CB-CD 3.11Å; A1595-K1612 HydrophobicContact CB-CG 4.21Å; Y1600-K1612 HydrophobicContact CD1-CB 4.22Å; Y1600-K1612 HydrophobicContact CD1-CD 3.36Å; Y1600-K1612 HydrophobicContact CD1-CG 3.68Å; Y1600-K1612 HydrophobicContact CD2-CD 3.97Å; Y1600-K1612 HydrophobicContact CE1-CD 3.38Å; Y1600-K1612 HydrophobicContact CE1-CG 3.91Å; Y1600-K1612 HydrophobicContact CE2-CD 4Å; Y1600-K1612 HydrophobicContact CG-CB 4.47Å; Y1600-K1612 HydrophobicContact CG-CD 3.66Å; Y1600-K1612 HydrophobicContact CG-CG 4.26Å; Y1600-K1612 WeakPolarHBondContact OH-CE 3.23Å; Y1600-K1612 PolarHBondContact OH-NZ 2.88Å; K1612-G1614 PolarHBondContact O-N 2.93Å; K1612-F1615 WeakPolarHBondContact O-CB 3.46Å; K1612-F1615 WeakPolarHBondContact O-CD2 3.46Å; K1612-F1615 PolarHBondContact O-N 3.02Å | ||
| 1613 | N | 57.8 | Low | 61.2 | Low | 47 Ų | 47 | 53.9 Ų | 53.9 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 55.5 | 175.8 | -52 | 15 | 0 | 0 | 0 | 113 | Q1594 A1595 C1634 | Q1594-N1613 VanDerWaalsContact CD-N 3.28Å; A1595-N1613 PolarHBondContact N-OD1 3.03Å; A1595-N1613 PolarHBondContact O-ND2 3.11Å; A1595-N1613 PolarHBondContact O-OD1 3.04Å; N1613-C1634 WeakPolarHBondContact O-CB 3.35Å; N1613-C1634 PolarHBondContact O-N 2.94Å |
| 1614 | G | 55.5 | Low | 61.9 | Low | 24 Ų | 24 | 54 Ų | 54 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -3.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K1612 C1634 V1636 | K1612-G1614 PolarHBondContact O-N 2.93Å; G1614-C1634 PolarHBondContact O-SG 2.89Å; G1614-C1634 VanDerWaalsContact O-SG 3.37Å; G1614-V1636 WeakPolarHBondContact O-CG2 3.16Å |
| 1615 | F | 72.9 | Confident | 61.8 | Low | 22 Ų | 22 | 45.6 Ų | 45.6 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 139.2 | -179 | -68.5 | -122.9 | 0 | 0 | 0 | 111.8 | L1601 C1611 K1612 C1622 S1623 C1624 L1628 C1634 | L1601-F1615 HydrophobicContact CD2-CE1 4.27Å; L1601-F1615 HydrophobicContact CD2-CE2 3.77Å; L1601-F1615 HydrophobicContact CD2-CZ 3.51Å; L1601-F1615 VanDerWaalsContact O-CE1 3.26Å; L1601-F1615 WeakPolarHBondContact O-CE1 3.48Å; C1611-F1615 CarbonylContact C-O 3.54Å; C1611-F1615 HydrophobicContact CB-CB 4.13Å; C1611-F1615 WeakPolarHBondContact CB-O 3.02Å; K1612-F1615 WeakPolarHBondContact O-CB 3.46Å; K1612-F1615 WeakPolarHBondContact O-CD2 3.46Å; K1612-F1615 PolarHBondContact O-N 3.02Å; F1615-C1622 HydrophobicContact CB-CB 4.27Å; F1615-C1622 HydrophobicContact CD1-CB 4.43Å; F1615-S1623 CarbonylContact C-O 3.57Å; F1615-S1623 WeakPolarHBondContact CA-O 3.45Å; F1615-C1624 HydrophobicContact CD1-CB 4.23Å; F1615-C1624 VanDerWaalsContact CD1-N 3.3Å; F1615-C1624 HydrophobicContact CD2-CB 4.28Å; F1615-C1624 HydrophobicContact CE1-CB 3.98Å; F1615-C1624 HydrophobicContact CE2-CB 4.05Å; F1615-C1624 HydrophobicContact CG-CB 4.37Å; F1615-C1624 HydrophobicContact CZ-CB 3.87Å; F1615-L1628 HydrophobicContact CE2-CD1 4.4Å; F1615-L1628 HydrophobicContact CZ-CD1 4.15Å; F1615-C1634 HydrophobicContact CD2-CB 3.74Å; F1615-C1634 HydrophobicContact CE2-CB 3.51Å; F1615-C1634 HydrophobicContact CZ-CB 4.43Å |
| 1616 | V | 65 | Low | 62.1 | Low | 20 Ų | 20 | 47.2 Ų | 47.2 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 162 | 173.8 | -67.5 | 0 | 0 | 0 | 0 | 111 | T1618 C1622 S1623 S1625 V1652 | V1616-T1618 PolarHBondContact O-N 3.27Å; V1616-C1622 CarbonylContact O-C 3.49Å; V1616-C1622 WeakPolarHBondContact O-CA 3.43Å; V1616-S1623 PolarHBondContact N-O 3.32Å; V1616-S1623 PolarHBondContact O-N 3.25Å; V1616-S1625 VanDerWaalsContact CG2-OG 3.24Å; V1616-S1625 WeakPolarHBondContact CG2-OG 3.26Å; V1616-V1652 HydrophobicContact CG1-CG1 4.02Å |
| 1617 | C | 64.3 | Low | 61.7 | Low | 23 Ų | 23 | 45.9 Ų | 45.9 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 97.3 | -178.8 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | C1605 N1607 D1608 | C1605-C1617 VanDerWaalsContact C-SG 3.58Å; C1605-C1617 HydrophobicContact CB-CB 3.92Å; C1605-C1617 WeakPolarHBondContact CB-SG 3.43Å; C1605-C1617 PolarHBondContact O-SG 2.84Å; C1605-C1617 WeakPolarHBondContact SG-CA 3.43Å; C1605-C1617 WeakPolarHBondContact SG-CB 3.36Å; C1605-C1617 CovalentContact SG-SG 2.03Å; C1605-C1617 PolarHBondContact SG-SG 2.85Å; N1607-C1617 PolarHBondContact N-SG 2.03Å; N1607-C1617 VanDerWaalsContact O-CB 3.26Å; N1607-C1617 WeakPolarHBondContact O-CB 3.38Å; D1608-C1617 PolarHBondContact OD1-N 3.44Å |
| 1618 | T | 55.8 | Low | 61.9 | Low | 77 Ų | 77 | 49 Ų | 49 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 114.8 | 175.1 | -44.4 | 0 | 0 | 0 | 0 | 109.5 | V1616 G1620 R1621 | V1616-T1618 PolarHBondContact O-N 3.27Å; T1618-G1620 VanDerWaalsContact C-N 3.26Å; T1618-G1620 PolarHBondContact O-N 3.42Å; T1618-G1620 VanDerWaalsContact O-N 3.09Å; T1618-R1621 PolarHBondContact N-O 2.86Å; T1618-R1621 PolarHBondContact O-N 3.19Å |
| 1619 | S | 56.4 | Low | 61.4 | Low | 131 Ų | 131 | 51 Ų | 51 | 92% | 0.916 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 41 | 168.9 | -51.7 | 0 | 0 | 0 | 0 | 115 | ||
| 1620 | G | 63 | Low | 60.6 | Low | 26 Ų | 26 | 56.8 Ų | 56.8 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | 1.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1604 C1605 T1618 | R1604-G1620 VanDerWaalsContact CA-O 3.28Å; R1604-G1620 WeakPolarHBondContact CA-O 3.39Å; R1604-G1620 WeakPolarHBondContact CG-O 3.02Å; C1605-G1620 PolarHBondContact N-O 3.38Å; C1605-G1620 CarbonylContact O-C 3.6Å; C1605-G1620 WeakPolarHBondContact O-CA 3.19Å; T1618-G1620 VanDerWaalsContact C-N 3.26Å; T1618-G1620 PolarHBondContact O-N 3.42Å; T1618-G1620 VanDerWaalsContact O-N 3.09Å |
| 1621 | R | 62.3 | Low | 59.6 | Low | 159 Ų | 159 | 61 Ų | 61 | 60% | 0.6 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 146.6 | -177.5 | -150 | 179.2 | -159.3 | 154.5 | 5 | 114 | T1602 G1603 C1605 T1618 | T1602-R1621 PolarHBondContact O-NE 3.36Å; G1603-R1621 WeakPolarHBondContact O-CG 3.49Å; C1605-R1621 WeakPolarHBondContact SG-CA 3.33Å; C1605-R1621 PolarHBondContact SG-N 3.19Å; T1618-R1621 PolarHBondContact N-O 2.86Å; T1618-R1621 PolarHBondContact O-N 3.19Å |
| 1622 | C | 70.1 | Confident | 58.8 | Low | 9 Ų | 9 | 62.2 Ų | 62.2 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 128.2 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | G1603 C1611 F1615 V1616 | G1603-C1622 PolarHBondContact O-N 2.98Å; G1603-C1622 VanDerWaalsContact O-N 3.11Å; C1611-C1622 WeakPolarHBondContact CA-SG 3.48Å; C1611-C1622 HydrophobicContact CB-CB 3.67Å; C1611-C1622 WeakPolarHBondContact CB-SG 3.35Å; C1611-C1622 WeakPolarHBondContact SG-CA 3.05Å; C1611-C1622 WeakPolarHBondContact SG-CB 3.46Å; C1611-C1622 CovalentContact SG-SG 2.04Å; C1611-C1622 PolarHBondContact SG-SG 3.42Å; F1615-C1622 HydrophobicContact CB-CB 4.27Å; F1615-C1622 HydrophobicContact CD1-CB 4.43Å; V1616-C1622 CarbonylContact O-C 3.49Å; V1616-C1622 WeakPolarHBondContact O-CA 3.43Å |
| 1623 | S | 66.5 | Low | 58.6 | Low | 55 Ų | 55 | 66 Ų | 66 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141 | -179.9 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | F1615 V1616 | F1615-S1623 CarbonylContact C-O 3.57Å; F1615-S1623 WeakPolarHBondContact CA-O 3.45Å; V1616-S1623 PolarHBondContact N-O 3.32Å; V1616-S1623 PolarHBondContact O-N 3.25Å |
| 1624 | C | 64.8 | Low | 58.5 | Low | 32 Ų | 32 | 64.2 Ų | 64.2 | 22% | 0.216 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.2 | 175.3 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | F1615 G1626 C1634 | F1615-C1624 HydrophobicContact CD1-CB 4.23Å; F1615-C1624 VanDerWaalsContact CD1-N 3.3Å; F1615-C1624 HydrophobicContact CD2-CB 4.28Å; F1615-C1624 HydrophobicContact CE1-CB 3.98Å; F1615-C1624 HydrophobicContact CE2-CB 4.05Å; F1615-C1624 HydrophobicContact CG-CB 4.37Å; F1615-C1624 HydrophobicContact CZ-CB 3.87Å; C1624-G1626 PolarHBondContact SG-N 3.43Å; C1624-G1626 PolarHBondContact SG-O 2.84Å; C1624-C1634 WeakPolarHBondContact CA-SG 3.44Å; C1624-C1634 HydrophobicContact CB-CB 3.71Å; C1624-C1634 WeakPolarHBondContact CB-SG 3.16Å; C1624-C1634 WeakPolarHBondContact SG-CB 3.41Å; C1624-C1634 CovalentContact SG-SG 2.03Å; C1624-C1634 PolarHBondContact SG-SG 2.82Å |
| 1625 | S | 57.7 | Low | 58.6 | Low | 56 Ų | 56 | 70.4 Ų | 70.4 | 39% | 0.392 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -104.5 | 34 | 172.3 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | V1616 | V1616-S1625 VanDerWaalsContact CG2-OG 3.24Å; V1616-S1625 WeakPolarHBondContact CG2-OG 3.26Å |
| 1626 | G | 62.6 | Low | 57.6 | Low | 38 Ų | 38 | 71.6 Ų | 71.6 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -150.3 | -159.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1624 K1635 | C1624-G1626 PolarHBondContact SG-N 3.43Å; C1624-G1626 PolarHBondContact SG-O 2.84Å; G1626-K1635 CarbonylContact C-O 2.94Å; G1626-K1635 VanDerWaalsContact CA-O 3.3Å; G1626-K1635 WeakPolarHBondContact CA-O 3.44Å |
| 1627 | M | 54.8 | Low | 57.2 | Low | 127 Ų | 127 | 75.1 Ų | 75.1 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123 | 178.8 | -165.2 | 174.5 | 73.8 | 0 | 0 | 110.4 | L1629 K1635 | M1627-L1629 HydrophobicContact CE-CD2 4.45Å; M1627-K1635 PolarHBondContact N-O 3.07Å; M1627-K1635 PolarHBondContact O-N 2.89Å |
| 1628 | L | 57 | Low | 57 | Low | 105 Ų | 105 | 80.1 Ų | 80.1 | 55% | 0.55 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.6 | 178 | -166.5 | 74 | 0 | 0 | 0 | 110.4 | F1615 E1633 C1634 | F1615-L1628 HydrophobicContact CE2-CD1 4.4Å; F1615-L1628 HydrophobicContact CZ-CD1 4.15Å; L1628-E1633 WeakPolarHBondContact CA-O 3.46Å; L1628-C1634 HydrophobicContact CD1-CB 4.36Å |
| 1629 | L | 52.6 | Low | 57.2 | Low | 62 Ų | 62 | 81.8 Ų | 81.8 | 33% | 0.325 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 159 | 177 | -71.6 | 172 | 0 | 0 | 0 | 111.7 | M1627 N1631 G1632 E1633 | M1627-L1629 HydrophobicContact CE-CD2 4.45Å; L1629-N1631 WeakPolarHBondContact CB-OD1 3.48Å; L1629-N1631 PolarHBondContact O-N 3.23Å; L1629-G1632 PolarHBondContact O-N 3.11Å; L1629-E1633 HydrophobicContact CD1-CB 4.46Å; L1629-E1633 PolarHBondContact N-O 2.82Å |
| 1630 | P | 46.4 | Very low | 58.2 | Low | 143 Ų | 143 | 76.1 Ų | 76.1 | 93% | 0.929 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.2 | 179.6 | -25.7 | 35.7 | 0 | 0 | 0 | 115.7 | ||
| 1631 | N | 42.2 | Very low | 58.7 | Low | 107 Ų | 107 | 78.5 Ų | 78.5 | 57% | 0.572 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -1.9 | 173.3 | 67.7 | -13.2 | 0 | 0 | 0 | 113.8 | L1629 E1633 | L1629-N1631 WeakPolarHBondContact CB-OD1 3.48Å; L1629-N1631 PolarHBondContact O-N 3.23Å; N1631-E1633 PolarHBondContact ND2-OE2 2.87Å; N1631-E1633 PolarHBondContact OD1-N 2.88Å |
| 1632 | G | 46.5 | Very low | 59.2 | Low | 26 Ų | 26 | 72 Ų | 72 | 27% | 0.268 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 91.7 | 4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1629 | L1629-G1632 PolarHBondContact O-N 3.11Š|
| 1633 | E | 56.1 | Low | 59.4 | Low | 97 Ų | 97 | 74.5 Ų | 74.5 | 45% | 0.453 | 44% | 0.44 | S | S | . | . | trans | -81.7 | 137.5 | 176.9 | -66.6 | -175.1 | 118 | 0 | 0 | 112.6 | L1628 L1629 N1631 | L1628-E1633 WeakPolarHBondContact CA-O 3.46Å; L1629-E1633 HydrophobicContact CD1-CB 4.46Å; L1629-E1633 PolarHBondContact N-O 2.82Å; N1631-E1633 PolarHBondContact ND2-OE2 2.87Å; N1631-E1633 PolarHBondContact OD1-N 2.88Å | ||
| 1634 | C | 56 | Low | 60 | Low | 10 Ų | 10 | 73.1 Ų | 73.1 | 7% | 0.068 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 112.9 | 176 | 179.1 | 0 | 0 | 0 | 0 | 111 | N1613 G1614 F1615 C1624 L1628 | N1613-C1634 WeakPolarHBondContact O-CB 3.35Å; N1613-C1634 PolarHBondContact O-N 2.94Å; G1614-C1634 PolarHBondContact O-SG 2.89Å; G1614-C1634 VanDerWaalsContact O-SG 3.37Å; F1615-C1634 HydrophobicContact CD2-CB 3.74Å; F1615-C1634 HydrophobicContact CE2-CB 3.51Å; F1615-C1634 HydrophobicContact CZ-CB 4.43Å; C1624-C1634 WeakPolarHBondContact CA-SG 3.44Å; C1624-C1634 HydrophobicContact CB-CB 3.71Å; C1624-C1634 WeakPolarHBondContact CB-SG 3.16Å; C1624-C1634 WeakPolarHBondContact SG-CB 3.41Å; C1624-C1634 CovalentContact SG-SG 2.03Å; C1624-C1634 PolarHBondContact SG-SG 2.82Å; L1628-C1634 HydrophobicContact CD1-CB 4.36Å |
| 1635 | K | 57.4 | Low | 60.6 | Low | 153 Ų | 153 | 79.8 Ų | 79.8 | 67% | 0.665 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120 | -179 | -165.8 | 170.7 | -175.1 | 174.5 | 0 | 111.3 | G1626 M1627 | G1626-K1635 CarbonylContact C-O 2.94Å; G1626-K1635 VanDerWaalsContact CA-O 3.3Å; G1626-K1635 WeakPolarHBondContact CA-O 3.44Å; M1627-K1635 PolarHBondContact N-O 3.07Å; M1627-K1635 PolarHBondContact O-N 2.89Å |
| 1636 | V | 53 | Low | 61.4 | Low | 48 Ų | 48 | 77.3 Ų | 77.3 | 29% | 0.291 | 44% | 0.442 | S | S | . | . | trans | -120.3 | 145.2 | -173.2 | -161.1 | 0 | 0 | 0 | 0 | 110.1 | G1614 V1652 | G1614-V1636 WeakPolarHBondContact O-CG2 3.16Å; V1636-V1652 HydrophobicContact CG1-CB 4.42Å; V1636-V1652 HydrophobicContact CG1-CG2 3.56Å | ||
| 1637 | S | 56.6 | Low | 61.9 | Low | 93 Ų | 93 | 78.6 Ų | 78.6 | 65% | 0.65 | 44% | 0.442 | S | S | * | . | trans | -82.5 | -48.3 | -173.5 | 33.2 | 0 | 0 | 0 | 0 | 114.8 | M1650 | S1637-M1650 PolarHBondContact OG-O 2.96Š| ||
| 1638 | R | 59.6 | Low | 62 | Low | 129 Ų | 129 | 78.8 Ų | 78.8 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 151.9 | -175.8 | 176.5 | 162 | 154.8 | -119 | -11.9 | 111.9 | V1640 K1645 D1651 V1652 | R1638-V1640 HydrophobicContact CG-CG2 4.49Å; R1638-K1645 PolarHBondContact NH2-O 3.37Å; R1638-D1651 VanDerWaalsContact CB-OD1 3.29Å; R1638-D1651 WeakPolarHBondContact CB-OD1 3.18Å; R1638-D1651 WeakPolarHBondContact CD-OD1 3.26Å; R1638-D1651 WeakPolarHBondContact CG-OD1 3.41Å; R1638-D1651 VanDerWaalsContact CZ-CG 3.5Å; R1638-D1651 IonicContact CZ-OD1 2.63Å; R1638-D1651 IonicContact CZ-OD2 2.71Å; R1638-D1651 IonicContact NE-OD1 2.71Å; R1638-D1651 PolarHBondContact NE-OD1 2.04Å; R1638-D1651 IonicContact NH1-OD1 2.94Å; R1638-D1651 PolarHBondContact NH1-OD1 2.89Å; R1638-D1651 IonicContact NH1-OD2 3.71Å; R1638-D1651 PolarHBondContact NH1-OD2 3.17Å; R1638-D1651 IonicContact NH2-OD2 3.08Å; R1638-D1651 PolarHBondContact NH2-OD2 2.79Å; R1638-V1652 PolarHBondContact O-N 3.35Å |
| 1639 | L | 59.8 | Low | 62.1 | Low | 111 Ų | 111 | 77.7 Ų | 77.7 | 58% | 0.581 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 144.7 | 178.3 | -98.3 | 149.1 | 0 | 0 | 0 | 111.1 | V1652 A1654 | L1639-V1652 CarbonylContact C-O 3.34Å; L1639-V1652 VanDerWaalsContact CA-O 3.3Å; L1639-V1652 WeakPolarHBondContact CA-O 3.05Å; L1639-V1652 HydrophobicContact CD2-CB 4.27Å; L1639-V1652 HydrophobicContact CD2-CG1 4.08Å; L1639-V1652 HydrophobicContact CG-CB 4.34Å; L1639-A1654 HydrophobicContact CD2-CB 3.97Å |
| 1640 | V | 76.6 | Confident | 62.1 | Low | 13 Ų | 13 | 80.3 Ų | 80.3 | 8% | 0.079 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 130.8 | -175.3 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | R1638 K1645 C1646 D1651 V1652 C1653 A1654 C1664 | R1638-V1640 HydrophobicContact CG-CG2 4.49Å; V1640-K1645 WeakPolarHBondContact CG1-O 3.44Å; V1640-C1646 HydrophobicContact CB-CB 4.49Å; V1640-C1646 HydrophobicContact CG1-CB 4.44Å; V1640-C1646 HydrophobicContact CG2-CB 4.48Å; V1640-D1651 HydrophobicContact CG2-CB 3.81Å; V1640-V1652 PolarHBondContact N-O 2.82Å; V1640-C1653 CarbonylContact O-C 3.59Å; V1640-C1653 WeakPolarHBondContact O-CA 3.41Å; V1640-A1654 PolarHBondContact O-N 2.61Å; V1640-C1664 HydrophobicContact CG1-CB 4.42Å; V1640-C1664 WeakPolarHBondContact CG1-SG 3.09Å |
| 1641 | S | 74.2 | Confident | 63 | Low | 76 Ų | 76 | 74.2 Ų | 74.2 | 53% | 0.531 | 43% | 0.431 | S | S | . | . | trans | -77.3 | 161.3 | -178.7 | -53 | 0 | 0 | 0 | 0 | 113.5 | G1643 G1644 C1664 | S1641-G1643 PolarHBondContact O-N 3.45Å; S1641-G1644 PolarHBondContact O-N 2.87Å; S1641-C1664 WeakPolarHBondContact O-CB 3.41Å | ||
| 1642 | P | 72.6 | Confident | 64.2 | Low | 22 Ų | 22 | 70.1 Ų | 70.1 | 14% | 0.143 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 126.4 | 172.7 | -19.4 | 28.4 | 0 | 0 | 0 | 111.5 | A1654 S1657 C1664 P1672 G1675 | P1642-A1654 WeakPolarHBondContact CD-O 3.47Å; P1642-A1654 WeakPolarHBondContact CG-O 3.03Å; P1642-S1657 WeakPolarHBondContact CG-OG 3.34Å; P1642-C1664 CarbonylContact C-O 3.55Å; P1642-C1664 WeakPolarHBondContact CA-O 3.03Å; P1642-P1672 HydrophobicContact CB-CB 4.21Å; P1642-G1675 WeakPolarHBondContact CD-O 2.99Å; P1642-G1675 VanDerWaalsContact CG-O 3.26Å; P1642-G1675 WeakPolarHBondContact CG-O 3.35Å |
| 1643 | G | 73.8 | Confident | 65.4 | Low | 62 Ų | 62 | 69.8 Ų | 69.8 | 64% | 0.639 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.4 | -15 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1641 C1664 | S1641-G1643 PolarHBondContact O-N 3.45Å; G1643-C1664 PolarHBondContact N-O 3.2Å |
| 1644 | G | 80.5 | Confident | 65.9 | Low | 25 Ų | 25 | 66.2 Ų | 66.2 | 26% | 0.258 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -81 | 151 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1641 V1663 C1664 | S1641-G1644 PolarHBondContact O-N 2.87Å; G1644-V1663 WeakPolarHBondContact O-CA 3.04Å; G1644-C1664 PolarHBondContact O-N 2.94Å |
| 1645 | K | 76.6 | Confident | 66.4 | Low | 172 Ų | 172 | 66 Ų | 66 | 75% | 0.748 | 39% | 0.39 | S | S | * | . | B | Isolated β-bridge | trans | -70.9 | 129.8 | 172.3 | -75.5 | -174.6 | 177 | -179.2 | 0 | 111.2 | R1638 V1640 N1662 | R1638-K1645 PolarHBondContact NH2-O 3.37Å; V1640-K1645 WeakPolarHBondContact CG1-O 3.44Å; K1645-N1662 CarbonylContact C-O 3.47Å; K1645-N1662 VanDerWaalsContact CA-O 3.29Å; K1645-N1662 WeakPolarHBondContact CA-O 3.34Å |
| 1646 | C | 75.1 | Confident | 66.6 | Low | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.027 | 38% | 0.38 | C | S | . | . | trans | -125.8 | 141.9 | 179.7 | 55.1 | 0 | 0 | 0 | 0 | 111 | V1640 D1651 C1659 N1662 V1663 | V1640-C1646 HydrophobicContact CB-CB 4.49Å; V1640-C1646 HydrophobicContact CG1-CB 4.44Å; V1640-C1646 HydrophobicContact CG2-CB 4.48Å; C1646-D1651 WeakPolarHBondContact CA-OD2 3.41Å; C1646-D1651 HydrophobicContact CB-CB 3.77Å; C1646-C1659 HydrophobicContact CB-CB 4.02Å; C1646-C1659 WeakPolarHBondContact CB-SG 3.05Å; C1646-C1659 WeakPolarHBondContact SG-CA 3.35Å; C1646-C1659 WeakPolarHBondContact SG-CB 3.13Å; C1646-C1659 CovalentContact SG-SG 2.04Å; C1646-C1659 PolarHBondContact SG-SG 2.94Å; C1646-N1662 PolarHBondContact N-O 3.42Å; C1646-N1662 CarbonylContact O-C 3.55Å; C1646-N1662 WeakPolarHBondContact O-CA 3.05Å; C1646-N1662 VanDerWaalsContact O-CB 3.29Å; C1646-N1662 WeakPolarHBondContact O-CB 3.46Å; C1646-V1663 PolarHBondContact SG-N 3.05Å; C1646-V1663 VanDerWaalsContact SG-N 3.45Å | ||
| 1647 | V | 73.3 | Confident | 67.7 | Low | 66 Ų | 66 | 59 Ų | 59 | 40% | 0.4 | 37% | 0.37 | S | S | . | . | trans | -90.5 | 117.8 | 166.6 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | G1649 M1650 D1651 | V1647-G1649 PolarHBondContact O-N 3.44Å; V1647-G1649 VanDerWaalsContact O-N 3.09Å; V1647-M1650 HydrophobicContact CB-CB 4.31Å; V1647-M1650 HydrophobicContact CG1-CB 4.31Å; V1647-M1650 HydrophobicContact CG1-CE 3.92Å; V1647-M1650 PolarHBondContact O-N 3.01Å; V1647-D1651 PolarHBondContact N-OD2 3.2Å; V1647-D1651 PolarHBondContact O-N 3.14Å | ||
| 1648 | L | 56.7 | Low | 68.4 | Low | 131 Ų | 131 | 57.7 Ų | 57.7 | 69% | 0.686 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 113.9 | 177.4 | -160.4 | 79.2 | 0 | 0 | 0 | 110.3 | C1659 | L1648-C1659 HydrophobicContact CD1-CB 4.19Š|
| 1649 | G | 57.8 | Low | 69.2 | Low | 82 Ų | 82 | 52.8 Ų | 52.8 | 85% | 0.845 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | -4.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | V1647 | V1647-G1649 PolarHBondContact O-N 3.44Å; V1647-G1649 VanDerWaalsContact O-N 3.09Å |
| 1650 | M | 53.1 | Low | 69.8 | Low | 117 Ų | 117 | 52 Ų | 52 | 58% | 0.576 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | -27 | 169.3 | -79.9 | -161.3 | -69.5 | 0 | 0 | 114.2 | S1637 V1647 | S1637-M1650 PolarHBondContact OG-O 2.96Å; V1647-M1650 HydrophobicContact CB-CB 4.31Å; V1647-M1650 HydrophobicContact CG1-CB 4.31Å; V1647-M1650 HydrophobicContact CG1-CE 3.92Å; V1647-M1650 PolarHBondContact O-N 3.01Å |
| 1651 | D | 64.9 | Low | 69.7 | Low | 14 Ų | 14 | 56.9 Ų | 56.9 | 8% | 0.075 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.8 | -179.1 | -67.7 | -25.9 | 0 | 0 | 0 | 110.9 | R1638 V1640 C1646 V1647 | R1638-D1651 VanDerWaalsContact CB-OD1 3.29Å; R1638-D1651 WeakPolarHBondContact CB-OD1 3.18Å; R1638-D1651 WeakPolarHBondContact CD-OD1 3.26Å; R1638-D1651 WeakPolarHBondContact CG-OD1 3.41Å; R1638-D1651 VanDerWaalsContact CZ-CG 3.5Å; R1638-D1651 IonicContact CZ-OD1 2.63Å; R1638-D1651 IonicContact CZ-OD2 2.71Å; R1638-D1651 IonicContact NE-OD1 2.71Å; R1638-D1651 PolarHBondContact NE-OD1 2.04Å; R1638-D1651 IonicContact NH1-OD1 2.94Å; R1638-D1651 PolarHBondContact NH1-OD1 2.89Å; R1638-D1651 IonicContact NH1-OD2 3.71Å; R1638-D1651 PolarHBondContact NH1-OD2 3.17Å; R1638-D1651 IonicContact NH2-OD2 3.08Å; R1638-D1651 PolarHBondContact NH2-OD2 2.79Å; V1640-D1651 HydrophobicContact CG2-CB 3.81Å; C1646-D1651 WeakPolarHBondContact CA-OD2 3.41Å; C1646-D1651 HydrophobicContact CB-CB 3.77Å; V1647-D1651 PolarHBondContact N-OD2 3.2Å; V1647-D1651 PolarHBondContact O-N 3.14Å |
| 1652 | V | 67.2 | Low | 69.5 | Low | 21 Ų | 21 | 57.8 Ų | 57.8 | 13% | 0.127 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.6 | 176 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | V1616 V1636 R1638 L1639 V1640 | V1616-V1652 HydrophobicContact CG1-CG1 4.02Å; V1636-V1652 HydrophobicContact CG1-CB 4.42Å; V1636-V1652 HydrophobicContact CG1-CG2 3.56Å; R1638-V1652 PolarHBondContact O-N 3.35Å; L1639-V1652 CarbonylContact C-O 3.34Å; L1639-V1652 VanDerWaalsContact CA-O 3.3Å; L1639-V1652 WeakPolarHBondContact CA-O 3.05Å; L1639-V1652 HydrophobicContact CD2-CB 4.27Å; L1639-V1652 HydrophobicContact CD2-CG1 4.08Å; L1639-V1652 HydrophobicContact CG-CB 4.34Å; V1640-V1652 PolarHBondContact N-O 2.82Å |
| 1653 | C | 72.4 | Confident | 69.8 | Low | 19 Ų | 19 | 59.4 Ų | 59.4 | 13% | 0.128 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135.9 | 177.6 | -68.2 | 0 | 0 | 0 | 0 | 112 | V1640 S1657 S1658 C1659 C1664 | V1640-C1653 CarbonylContact O-C 3.59Å; V1640-C1653 WeakPolarHBondContact O-CA 3.41Å; C1653-S1657 WeakPolarHBondContact CB-O 3.28Å; C1653-S1658 VanDerWaalsContact SG-C 3.6Å; C1653-C1659 WeakPolarHBondContact SG-CA 3.32Å; C1653-C1659 VanDerWaalsContact SG-CB 3.56Å; C1653-C1659 PolarHBondContact SG-N 3.26Å; C1653-C1664 VanDerWaalsContact CA-SG 3.51Å; C1653-C1664 HydrophobicContact CB-CB 3.72Å; C1653-C1664 WeakPolarHBondContact CB-SG 3.41Å; C1653-C1664 WeakPolarHBondContact SG-CA 3.39Å; C1653-C1664 WeakPolarHBondContact SG-CB 3.34Å; C1653-C1664 CovalentContact SG-SG 2.03Å; C1653-C1664 PolarHBondContact SG-SG 3.06Å |
| 1654 | A | 66.9 | Low | 70.2 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -97.2 | 165.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1639 V1640 P1642 G1656 S1657 | L1639-A1654 HydrophobicContact CD2-CB 3.97Å; V1640-A1654 PolarHBondContact O-N 2.61Å; P1642-A1654 WeakPolarHBondContact CD-O 3.47Å; P1642-A1654 WeakPolarHBondContact CG-O 3.03Å; A1654-G1656 VanDerWaalsContact C-N 3.34Å; A1654-G1656 PolarHBondContact O-N 2.03Å; A1654-S1657 PolarHBondContact O-N 3.32Å; A1654-S1657 PolarHBondContact O-OG 3.09Å |
| 1655 | G | 66.3 | Low | 70.1 | Confident | 7 Ų | 7 | 57 Ų | 57 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 26.1 | 164 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1608 S1657 H1676 C1677 | D1608-G1655 PolarHBondContact OD2-N 2.04Å; G1655-S1657 VanDerWaalsContact C-N 3.34Å; G1655-H1676 WeakPolarHBondContact O-CA 3.26Å; G1655-C1677 PolarHBondContact O-N 2.88Å |
| 1656 | G | 62 | Low | 70 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 46% | 0.464 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 18 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1654 P1667 C1677 | A1654-G1656 VanDerWaalsContact C-N 3.34Å; A1654-G1656 PolarHBondContact O-N 2.03Å; G1656-P1667 VanDerWaalsContact O-CD 3.25Å; G1656-P1667 WeakPolarHBondContact O-CD 3.46Å; G1656-C1677 PolarHBondContact O-SG 2.03Å |
| 1657 | S | 74.8 | Confident | 69.6 | Low | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | trans | -95.7 | 156.2 | 172.1 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | P1642 C1653 A1654 G1655 C1664 A1665 | P1642-S1657 WeakPolarHBondContact CG-OG 3.34Å; C1653-S1657 WeakPolarHBondContact CB-O 3.28Å; A1654-S1657 PolarHBondContact O-N 3.32Å; A1654-S1657 PolarHBondContact O-OG 3.09Å; G1655-S1657 VanDerWaalsContact C-N 3.34Å; S1657-C1664 WeakPolarHBondContact OG-CB 3.06Å; S1657-A1665 CarbonylContact C-O 3.51Å; S1657-A1665 VanDerWaalsContact CA-O 3.27Å; S1657-A1665 WeakPolarHBondContact CA-O 3.47Å; S1657-A1665 VanDerWaalsContact CB-O 3.31Å; S1657-A1665 WeakPolarHBondContact CB-O 3.43Å | ||
| 1658 | S | 71.5 | Confident | 69 | Low | 64 Ų | 64 | 56.4 Ų | 56.4 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 147.9 | -179.5 | -63.5 | 0 | 0 | 0 | 0 | 111 | C1653 I1660 C1664 A1665 | C1653-S1658 VanDerWaalsContact SG-C 3.6Å; S1658-I1660 PolarHBondContact O-N 2.82Å; S1658-C1664 CarbonylContact O-C 3.53Å; S1658-C1664 WeakPolarHBondContact O-CA 3.29Å; S1658-A1665 PolarHBondContact N-O 2.9Å; S1658-A1665 PolarHBondContact O-N 2.87Å |
| 1659 | C | 77.4 | Confident | 69.1 | Low | 27 Ų | 27 | 52.8 Ų | 52.8 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 91.8 | 178.3 | -168.9 | 0 | 0 | 0 | 0 | 110.4 | C1646 L1648 C1653 | C1646-C1659 HydrophobicContact CB-CB 4.02Å; C1646-C1659 WeakPolarHBondContact CB-SG 3.05Å; C1646-C1659 WeakPolarHBondContact SG-CA 3.35Å; C1646-C1659 WeakPolarHBondContact SG-CB 3.13Å; C1646-C1659 CovalentContact SG-SG 2.04Å; C1646-C1659 PolarHBondContact SG-SG 2.94Å; L1648-C1659 HydrophobicContact CD1-CB 4.19Å; C1653-C1659 WeakPolarHBondContact SG-CA 3.32Å; C1653-C1659 VanDerWaalsContact SG-CB 3.56Å; C1653-C1659 PolarHBondContact SG-N 3.26Å |
| 1660 | I | 71.9 | Confident | 69.6 | Low | 93 Ų | 93 | 53.9 Ų | 53.9 | 48% | 0.477 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.2 | -177.2 | -62.5 | 175 | 0 | 0 | 0 | 107.3 | S1658 N1662 V1663 A1665 | S1658-I1660 PolarHBondContact O-N 2.82Å; I1660-N1662 VanDerWaalsContact C-N 3.28Å; I1660-N1662 PolarHBondContact O-N 2.87Å; I1660-V1663 PolarHBondContact N-O 2.77Å; I1660-V1663 PolarHBondContact O-N 3.24Å; I1660-A1665 HydrophobicContact CB-CB 4.26Å; I1660-A1665 HydrophobicContact CD1-CB 4.31Å |
| 1661 | S | 74 | Confident | 70.2 | Confident | 116 Ų | 116 | 51.8 Ų | 51.8 | 81% | 0.811 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 43.7 | -178.4 | -55.7 | 0 | 0 | 0 | 0 | 113.6 | V1663 | S1661-V1663 PolarHBondContact O-N 2.92Š|
| 1662 | N | 70.2 | Confident | 70.2 | Confident | 95 Ų | 95 | 55.1 Ų | 55.1 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 21.9 | -176.2 | -58.8 | -27.9 | 0 | 0 | 0 | 115.1 | K1645 C1646 I1660 | K1645-N1662 CarbonylContact C-O 3.47Å; K1645-N1662 VanDerWaalsContact CA-O 3.29Å; K1645-N1662 WeakPolarHBondContact CA-O 3.34Å; C1646-N1662 PolarHBondContact N-O 3.42Å; C1646-N1662 CarbonylContact O-C 3.55Å; C1646-N1662 WeakPolarHBondContact O-CA 3.05Å; C1646-N1662 VanDerWaalsContact O-CB 3.29Å; C1646-N1662 WeakPolarHBondContact O-CB 3.46Å; I1660-N1662 VanDerWaalsContact C-N 3.28Å; I1660-N1662 PolarHBondContact O-N 2.87Å |
| 1663 | V | 80 | Confident | 69.8 | Low | 56 Ų | 56 | 58.4 Ų | 58.4 | 34% | 0.339 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.2 | 169.9 | -179.9 | 0 | 0 | 0 | 0 | 110 | G1644 C1646 I1660 S1661 A1665 | G1644-V1663 WeakPolarHBondContact O-CA 3.04Å; C1646-V1663 PolarHBondContact SG-N 3.05Å; C1646-V1663 VanDerWaalsContact SG-N 3.45Å; I1660-V1663 PolarHBondContact N-O 2.77Å; I1660-V1663 PolarHBondContact O-N 3.24Å; S1661-V1663 PolarHBondContact O-N 2.92Å; V1663-A1665 PolarHBondContact O-N 3.34Å; V1663-A1665 VanDerWaalsContact O-N 3.14Å |
| 1664 | C | 80.9 | Confident | 69.1 | Low | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 106.7 | 173.1 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | V1640 S1641 P1642 G1643 G1644 C1653 S1657 S1658 | V1640-C1664 HydrophobicContact CG1-CB 4.42Å; V1640-C1664 WeakPolarHBondContact CG1-SG 3.09Å; S1641-C1664 WeakPolarHBondContact O-CB 3.41Å; P1642-C1664 CarbonylContact C-O 3.55Å; P1642-C1664 WeakPolarHBondContact CA-O 3.03Å; G1643-C1664 PolarHBondContact N-O 3.2Å; G1644-C1664 PolarHBondContact O-N 2.94Å; C1653-C1664 VanDerWaalsContact CA-SG 3.51Å; C1653-C1664 HydrophobicContact CB-CB 3.72Å; C1653-C1664 WeakPolarHBondContact CB-SG 3.41Å; C1653-C1664 WeakPolarHBondContact SG-CA 3.39Å; C1653-C1664 WeakPolarHBondContact SG-CB 3.34Å; C1653-C1664 CovalentContact SG-SG 2.03Å; C1653-C1664 PolarHBondContact SG-SG 3.06Å; S1657-C1664 WeakPolarHBondContact OG-CB 3.06Å; S1658-C1664 CarbonylContact O-C 3.53Å; S1658-C1664 WeakPolarHBondContact O-CA 3.29Å |
| 1665 | A | 78.9 | Confident | 68.8 | Low | 35 Ų | 35 | 63.2 Ų | 63.2 | 29% | 0.289 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 149.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1657 S1658 I1660 V1663 | S1657-A1665 CarbonylContact C-O 3.51Å; S1657-A1665 VanDerWaalsContact CA-O 3.27Å; S1657-A1665 WeakPolarHBondContact CA-O 3.47Å; S1657-A1665 VanDerWaalsContact CB-O 3.31Å; S1657-A1665 WeakPolarHBondContact CB-O 3.43Å; S1658-A1665 PolarHBondContact N-O 2.9Å; S1658-A1665 PolarHBondContact O-N 2.87Å; I1660-A1665 HydrophobicContact CB-CB 4.26Å; I1660-A1665 HydrophobicContact CD1-CB 4.31Å; V1663-A1665 PolarHBondContact O-N 3.34Å; V1663-A1665 VanDerWaalsContact O-N 3.14Å |
| 1666 | C | 74.6 | Confident | 68.7 | Low | 28 Ų | 28 | 66.3 Ų | 66.3 | 19% | 0.189 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 144.3 | 178.8 | -75 | 0 | 0 | 0 | 0 | 112.6 | C1677 | C1666-C1677 WeakPolarHBondContact CA-SG 3.06Å; C1666-C1677 HydrophobicContact CB-CB 3.79Å; C1666-C1677 WeakPolarHBondContact CB-SG 3.46Å; C1666-C1677 WeakPolarHBondContact SG-CA 3.44Å; C1666-C1677 WeakPolarHBondContact SG-CB 3.37Å; C1666-C1677 CovalentContact SG-SG 2.04Å; C1666-C1677 PolarHBondContact SG-SG 3.2Å |
| 1667 | P | 67.2 | Low | 68.7 | Low | 58 Ų | 58 | 65.2 Ų | 65.2 | 38% | 0.377 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 152.9 | 171 | -25 | 34.7 | 0 | 0 | 0 | 113.6 | G1656 F1670 | G1656-P1667 VanDerWaalsContact O-CD 3.25Å; G1656-P1667 WeakPolarHBondContact O-CD 3.46Å; P1667-F1670 PolarHBondContact O-N 3.21Å; P1667-F1670 VanDerWaalsContact O-N 3.11Å |
| 1668 | T | 61.3 | Low | 68.2 | Low | 144 Ų | 144 | 69.9 Ų | 69.9 | 88% | 0.883 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 140.5 | 173.7 | 41.9 | 0 | 0 | 0 | 0 | 111.7 | F1670 | T1668-F1670 VanDerWaalsContact C-N 3.29Š|
| 1669 | G | 57.8 | Low | 67.2 | Low | 56 Ų | 56 | 72.5 Ų | 72.5 | 58% | 0.577 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | -23.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1670 | F | 67.3 | Low | 65.3 | Low | 104 Ų | 104 | 79.5 Ų | 79.5 | 46% | 0.456 | 44% | 0.442 | S | S | . | . | trans | -107.2 | 161.2 | 175.8 | -61 | -102.6 | 0 | 0 | 0 | 111.5 | P1667 T1668 C1677 R1678 N1679 | P1667-F1670 PolarHBondContact O-N 3.21Å; P1667-F1670 VanDerWaalsContact O-N 3.11Å; T1668-F1670 VanDerWaalsContact C-N 3.29Å; F1670-C1677 HydrophobicContact CB-CB 3.82Å; F1670-C1677 HydrophobicContact CD1-CB 4.41Å; F1670-C1677 WeakPolarHBondContact CD1-O 3.28Å; F1670-C1677 HydrophobicContact CG-CB 4.34Å; F1670-R1678 CarbonylContact C-O 3.58Å; F1670-R1678 VanDerWaalsContact CA-O 3.23Å; F1670-R1678 WeakPolarHBondContact CA-O 3.35Å; F1670-N1679 HydrophobicContact CE1-CB 4.47Å | ||
| 1671 | Y | 67.4 | Low | 63.5 | Low | 74 Ų | 74 | 83.5 Ų | 83.5 | 29% | 0.29 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.9 | 169.9 | 68.1 | -73 | 0 | 0 | 0 | 110.1 | K1673 R1678 N1679 R1680 | Y1671-K1673 HydrophobicContact CD2-CB 4.13Å; Y1671-K1673 HydrophobicContact CE2-CB 3.66Å; Y1671-K1673 HydrophobicContact CE2-CD 4.11Å; Y1671-K1673 HydrophobicContact CE2-CG 4.41Å; Y1671-K1673 PolarHBondContact O-N 2.89Å; Y1671-R1678 WeakPolarHBondContact CD1-O 3.07Å; Y1671-R1678 HydrophobicContact CE1-CB 4.22Å; Y1671-R1678 WeakPolarHBondContact CE1-O 3.33Å; Y1671-R1678 PolarHBondContact N-O 2.73Å; Y1671-R1678 PolarHBondContact O-N 3.34Å; Y1671-N1679 WeakPolarHBondContact CE1-O 3.16Å; Y1671-R1680 HydrophobicContact CD1-CG 3.42Å; Y1671-R1680 VanDerWaalsContact CD1-CG 3.42Å; Y1671-R1680 HydrophobicContact CE1-CB 4.39Å; Y1671-R1680 HydrophobicContact CE1-CG 3.52Å; Y1671-R1680 HydrophobicContact CG-CG 4.44Å |
| 1672 | P | 63.9 | Low | 61.2 | Low | 83 Ų | 83 | 89 Ų | 89 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 119.9 | 175.6 | 26.9 | -33.2 | 0 | 0 | 0 | 109.6 | P1642 H1676 | P1642-P1672 HydrophobicContact CB-CB 4.21Å; P1672-H1676 WeakPolarHBondContact CA-O 3.47Å |
| 1673 | K | 59.2 | Low | 59.1 | Low | 91 Ų | 91 | 87.9 Ų | 87.9 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 128.1 | 168.9 | 178.2 | 166.4 | -179.2 | 175.3 | 0 | 110 | Y1671 G1675 H1676 R1678 | Y1671-K1673 HydrophobicContact CD2-CB 4.13Å; Y1671-K1673 HydrophobicContact CE2-CB 3.66Å; Y1671-K1673 HydrophobicContact CE2-CD 4.11Å; Y1671-K1673 HydrophobicContact CE2-CG 4.41Å; Y1671-K1673 PolarHBondContact O-N 2.89Å; K1673-G1675 VanDerWaalsContact C-N 3.34Å; K1673-G1675 PolarHBondContact O-N 2.82Å; K1673-H1676 PolarHBondContact N-O 2.78Å; K1673-H1676 PolarHBondContact O-N 3.48Å; K1673-R1678 HydrophobicContact CB-CG 4.42Å |
| 1674 | D | 57.5 | Low | 56.9 | Low | 102 Ų | 102 | 90.3 Ų | 90.3 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 48 | 178.6 | -38.7 | -27.4 | 0 | 0 | 0 | 111.7 | H1676 R1678 | D1674-H1676 PolarHBondContact O-N 2.78Å; D1674-H1676 PolarHBondContact O-ND1 3.06Å; D1674-R1678 IonicContact OD2-CZ 3.44Å; D1674-R1678 VanDerWaalsContact OD2-CZ 3.23Å; D1674-R1678 IonicContact OD2-NH1 3.24Å; D1674-R1678 PolarHBondContact OD2-NH1 3.47Å; D1674-R1678 IonicContact OD2-NH2 2.79Å; D1674-R1678 PolarHBondContact OD2-NH2 2.6Å |
| 1675 | G | 61.4 | Low | 54.2 | Low | 40 Ų | 40 | 99.4 Ų | 99.4 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 5.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | P1642 K1673 | P1642-G1675 WeakPolarHBondContact CD-O 2.99Å; P1642-G1675 VanDerWaalsContact CG-O 3.26Å; P1642-G1675 WeakPolarHBondContact CG-O 3.35Å; K1673-G1675 VanDerWaalsContact C-N 3.34Å; K1673-G1675 PolarHBondContact O-N 2.82Å |
| 1676 | H | 63.6 | Low | 52 | Low | 72 Ų | 72 | 102.8 Ų | 102.8 | 33% | 0.333 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 154.3 | -175.4 | -64.8 | 76.8 | 0 | 0 | 0 | 111.9 | G1655 P1672 K1673 D1674 | G1655-H1676 WeakPolarHBondContact O-CA 3.26Å; P1672-H1676 WeakPolarHBondContact CA-O 3.47Å; K1673-H1676 PolarHBondContact N-O 2.78Å; K1673-H1676 PolarHBondContact O-N 3.48Å; D1674-H1676 PolarHBondContact O-N 2.78Å; D1674-H1676 PolarHBondContact O-ND1 3.06Å |
| 1677 | C | 62.6 | Low | 49.7 | Very low | 21 Ų | 21 | 109.2 Ų | 109.2 | 14% | 0.142 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 117.3 | 174.6 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | G1655 G1656 C1666 F1670 | G1655-C1677 PolarHBondContact O-N 2.88Å; G1656-C1677 PolarHBondContact O-SG 2.03Å; C1666-C1677 WeakPolarHBondContact CA-SG 3.06Å; C1666-C1677 HydrophobicContact CB-CB 3.79Å; C1666-C1677 WeakPolarHBondContact CB-SG 3.46Å; C1666-C1677 WeakPolarHBondContact SG-CA 3.44Å; C1666-C1677 WeakPolarHBondContact SG-CB 3.37Å; C1666-C1677 CovalentContact SG-SG 2.04Å; C1666-C1677 PolarHBondContact SG-SG 3.2Å; F1670-C1677 HydrophobicContact CB-CB 3.82Å; F1670-C1677 HydrophobicContact CD1-CB 4.41Å; F1670-C1677 WeakPolarHBondContact CD1-O 3.28Å; F1670-C1677 HydrophobicContact CG-CB 4.34Å |
| 1678 | R | 62.9 | Low | 47.6 | Very low | 107 Ų | 107 | 112.6 Ų | 112.6 | 40% | 0.404 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.5 | 154 | -177.4 | -61.9 | -163.1 | -170.2 | 175.9 | 10.8 | 113.7 | F1670 Y1671 K1673 D1674 | F1670-R1678 CarbonylContact C-O 3.58Å; F1670-R1678 VanDerWaalsContact CA-O 3.23Å; F1670-R1678 WeakPolarHBondContact CA-O 3.35Å; Y1671-R1678 WeakPolarHBondContact CD1-O 3.07Å; Y1671-R1678 HydrophobicContact CE1-CB 4.22Å; Y1671-R1678 WeakPolarHBondContact CE1-O 3.33Å; Y1671-R1678 PolarHBondContact N-O 2.73Å; Y1671-R1678 PolarHBondContact O-N 3.34Å; K1673-R1678 HydrophobicContact CB-CG 4.42Å; D1674-R1678 IonicContact OD2-CZ 3.44Å; D1674-R1678 VanDerWaalsContact OD2-CZ 3.23Å; D1674-R1678 IonicContact OD2-NH1 3.24Å; D1674-R1678 PolarHBondContact OD2-NH1 3.47Å; D1674-R1678 IonicContact OD2-NH2 2.79Å; D1674-R1678 PolarHBondContact OD2-NH2 2.6Å |
| 1679 | N | 51.4 | Low | 45.8 | Very low | 120 Ų | 120 | 111.8 Ų | 111.8 | 64% | 0.642 | 58% | 0.582 | S | S | * | * | trans | -84.5 | 159.4 | 174.9 | -159.2 | -22.1 | 0 | 0 | 0 | 111.9 | F1670 Y1671 | F1670-N1679 HydrophobicContact CE1-CB 4.47Å; Y1671-N1679 WeakPolarHBondContact CE1-O 3.16Å | ||
| 1680 | R | 38 | Very low | 44.2 | Very low | 174 Ų | 174 | 113.6 Ų | 113.6 | 66% | 0.657 | 59% | 0.585 | S | S | * | * | trans | -104.7 | 126.4 | -166 | -73.5 | -180 | 161.4 | -175.1 | -4.8 | 114.2 | Y1671 | Y1671-R1680 HydrophobicContact CD1-CG 3.42Å; Y1671-R1680 VanDerWaalsContact CD1-CG 3.42Å; Y1671-R1680 HydrophobicContact CE1-CB 4.39Å; Y1671-R1680 HydrophobicContact CE1-CG 3.52Å; Y1671-R1680 HydrophobicContact CG-CG 4.44Å | ||
| 1681 | K | 33.1 | Very low | 42.1 | Very low | 177 Ų | 177 | 117.9 Ų | 117.9 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | trans | 71.9 | 155.3 | 165.2 | -57.6 | 175.6 | -179.4 | 175 | 0 | 115 | ||||
| 1682 | R | 25.2 | Very low | 39.9 | Very low | 230 Ų | 230 | 120.5 Ų | 120.5 | 87% | 0.868 | 63% | 0.63 | S | S | * | * | cis | -167 | 152.1 | -15.2 | -110.1 | 173.8 | -179.7 | -178.8 | -3.5 | 108.8 | ||||
| 1683 | G | 26.7 | Very low | 37.9 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | trans | 127.8 | 126 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1684 | P | 33.7 | Very low | 36 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | trans | -137.6 | 171.7 | -168.7 | 38.3 | -19 | 0 | 0 | 0 | 119.4 | ||||
| 1685 | F | 25 | Very low | 34.3 | Very low | 191 Ų | 191 | 130 Ų | 130 | 84% | 0.838 | 68% | 0.678 | S | S | * | * | trans | 79.1 | 158.7 | 161.5 | -60.5 | -64.7 | 0 | 0 | 0 | 119.1 | ||||
| 1686 | P | 31.9 | Very low | 32.4 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | -138.8 | -161 | -58.8 | 38.9 | -19.7 | 0 | 0 | 0 | 113.6 | |||||
| 1687 | I | 26.5 | Very low | 30.6 | Very low | 164 Ų | 164 | 137 Ų | 137 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | trans | 83.1 | 147.5 | 173.2 | -47.8 | 170 | 0 | 0 | 0 | 114.8 | ||||
| 1688 | D | 22.7 | Very low | 28.9 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | -169.7 | 157.1 | -52.8 | -169 | 18.1 | 0 | 0 | 0 | 108.5 | |||||
| 1689 | N | 24 | Very low | 27.2 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | trans | 59.1 | 112.7 | 162.9 | -82.8 | -55.6 | 0 | 0 | 0 | 122.7 | ||||
| 1690 | S | 25.1 | Very low | 26.4 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | trans | 66.5 | 94.7 | 135.6 | 64.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1691 | H | 22.5 | Very low | 26.4 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | 31.4 | 96.5 | 127.2 | -53.7 | -68.6 | 0 | 0 | 0 | 120.4 | |||||
| 1692 | V | 21.4 | Very low | 26.9 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | trans | -128.9 | 127.5 | 141.2 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | L1694 | V1692-L1694 HydrophobicContact CG1-CB 4.22Å; V1692-L1694 PolarHBondContact O-N 2.94Å | ||
| 1693 | L | 21.7 | Very low | 28 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 94% | 0.937 | 71% | 0.713 | S | S | * | * | trans | -88.8 | 98 | 174.5 | 180 | 72.5 | 0 | 0 | 0 | 108.7 | ||||
| 1694 | L | 19.4 | Very low | 28.7 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | trans | -150.7 | 162.8 | 174.4 | -143.3 | 125.4 | 0 | 0 | 0 | 111.2 | V1692 | V1692-L1694 HydrophobicContact CG1-CB 4.22Å; V1692-L1694 PolarHBondContact O-N 2.94Å | ||
| 1695 | L | 21.1 | Very low | 29 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | trans | -41.2 | 134.7 | -171.7 | -74.4 | 65.6 | 0 | 0 | 0 | 114.7 | ||||
| 1696 | V | 22.5 | Very low | 29.8 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 75% | 0.745 | 71% | 0.711 | S | S | * | * | trans | -136.3 | 117.1 | 142.8 | -138.2 | 0 | 0 | 0 | 0 | 110.9 | P1698 | V1696-P1698 HydrophobicContact CG1-CG 3.8Š| ||
| 1697 | V | 26.4 | Very low | 30.3 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -108.5 | 121.2 | 145.7 | 177.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1698 | P | 26.9 | Very low | 31.1 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | trans | -131.7 | 120.4 | 154.9 | 32.5 | -16.3 | 0 | 0 | 0 | 111.5 | V1696 | V1696-P1698 HydrophobicContact CG1-CG 3.8Š| ||
| 1699 | Y | 26.2 | Very low | 32.2 | Very low | 212 Ų | 212 | 122.4 Ų | 122.4 | 83% | 0.831 | 68% | 0.684 | S | S | * | * | trans | -2.8 | 121.2 | 151.5 | -68.9 | -89.5 | 0 | 0 | 0 | 117.3 | F1701 | Y1699-F1701 PolarHBondContact O-N 3.15Š| ||
| 1700 | S | 35.3 | Very low | 33.2 | Very low | 62 Ų | 62 | 119.6 Ų | 119.6 | 43% | 0.434 | 68% | 0.678 | S | S | . | * | trans | -37.5 | 121.3 | 164.8 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | V1719 | S1700-V1719 VanDerWaalsContact OG-CG1 3.23Å; S1700-V1719 WeakPolarHBondContact OG-CG1 3.28Å | ||
| 1701 | F | 37 | Very low | 34.6 | Very low | 172 Ų | 172 | 116.1 Ų | 116.1 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | trans | -60.9 | 145.1 | -176.6 | -116.1 | -91.2 | 0 | 0 | 0 | 113.4 | Y1699 V1719 C1720 | Y1699-F1701 PolarHBondContact O-N 3.15Å; F1701-V1719 CarbonylContact O-C 3.53Å; F1701-V1719 VanDerWaalsContact O-CA 3.3Å; F1701-V1719 WeakPolarHBondContact O-CA 3.38Å; F1701-C1720 PolarHBondContact O-N 2.71Å | ||
| 1702 | T | 43.7 | Very low | 36 | Very low | 110 Ų | 110 | 109.7 Ų | 109.7 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | trans | -92.2 | 128 | -175.3 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | G1718 | T1702-G1718 WeakPolarHBondContact CA-O 3.49Å; T1702-G1718 WeakPolarHBondContact CB-O 3.33Å; T1702-G1718 WeakPolarHBondContact CG2-O 3.35Å | ||
| 1703 | C | 48.3 | Very low | 37.8 | Very low | 10 Ų | 10 | 104 Ų | 104 | 7% | 0.068 | 61% | 0.61 | C | S | . | * | trans | -115.8 | 115 | -174.7 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | C1715 G1718 V1719 | C1703-C1715 HydrophobicContact CB-CB 3.95Å; C1703-C1715 WeakPolarHBondContact CB-SG 3.42Å; C1703-C1715 PolarHBondContact O-SG 3.15Å; C1703-C1715 WeakPolarHBondContact SG-CA 3.29Å; C1703-C1715 WeakPolarHBondContact SG-CB 3.32Å; C1703-C1715 CovalentContact SG-SG 2.04Å; C1703-C1715 PolarHBondContact SG-SG 2.76Å; C1703-G1718 VanDerWaalsContact N-C 3.33Å; C1703-G1718 WeakPolarHBondContact O-CA 3Å; C1703-G1718 PolarHBondContact O-N 2.89Å; C1703-G1718 VanDerWaalsContact O-N 3.15Å; C1703-V1719 PolarHBondContact SG-N 2.76Å; C1703-V1719 PolarHBondContact SG-O 2.03Å | ||
| 1704 | S | 41.9 | Very low | 39.5 | Very low | 82 Ų | 82 | 99.4 Ų | 99.4 | 57% | 0.573 | 59% | 0.593 | S | S | * | * | trans | -82 | 171.7 | 169.6 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | S1706 | S1704-S1706 PolarHBondContact O-N 3.3Š| ||
| 1705 | T | 39 | Very low | 41.4 | Very low | 152 Ų | 152 | 95.3 Ų | 95.3 | 93% | 0.933 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 38.4 | -170.1 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1706 | S | 42.7 | Very low | 42.8 | Very low | 106 Ų | 106 | 93 Ų | 93 | 74% | 0.741 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.7 | 13.8 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 116.5 | S1704 | S1704-S1706 PolarHBondContact O-N 3.3Š|
| 1707 | V | 41.5 | Very low | 44.1 | Very low | 105 Ų | 105 | 98.2 Ų | 98.2 | 64% | 0.636 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -134.3 | 130.3 | 171.2 | -179 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1708 | D | 43.9 | Very low | 45.4 | Very low | 161 Ų | 161 | 93 Ų | 93 | 86% | 0.861 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 143 | -176 | -60.8 | -60.9 | 0 | 0 | 0 | 113.4 | ||
| 1709 | C | 45.8 | Very low | 47 | Very low | 22 Ų | 22 | 90.1 Ų | 90.1 | 15% | 0.149 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -81 | 132.5 | 172.3 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | A1713 C1720 | C1709-A1713 HydrophobicContact CB-CB 4.01Å; C1709-A1713 WeakPolarHBondContact CB-O 3.15Å; C1709-C1720 VanDerWaalsContact CA-SG 3.6Å; C1709-C1720 HydrophobicContact CB-CB 3.71Å; C1709-C1720 WeakPolarHBondContact CB-SG 3.39Å; C1709-C1720 WeakPolarHBondContact SG-CA 3.25Å; C1709-C1720 WeakPolarHBondContact SG-CB 3.05Å; C1709-C1720 CovalentContact SG-SG 2.03Å; C1709-C1720 PolarHBondContact SG-SG 3.16Å |
| 1710 | A | 45.8 | Very low | 48.5 | Very low | 68 Ų | 68 | 81 Ų | 81 | 56% | 0.562 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -69.2 | 157.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1712 A1713 G1731 | A1710-G1712 VanDerWaalsContact C-N 3.34Å; A1710-G1712 PolarHBondContact O-N 3.48Å; A1710-A1713 PolarHBondContact O-N 3.41Å; A1710-G1731 CarbonylContact C-O 3.56Å |
| 1711 | G | 53 | Low | 49.7 | Very low | 21 Ų | 21 | 81.3 Ų | 81.3 | 22% | 0.216 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 28 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117 | A1713 G1731 C1733 | G1711-A1713 VanDerWaalsContact C-N 3.35Å; G1711-G1731 WeakPolarHBondContact CA-O 3.33Å; G1711-C1733 WeakPolarHBondContact O-CB 3.34Å; G1711-C1733 PolarHBondContact O-N 2.79Å |
| 1712 | G | 51.8 | Low | 50.5 | Low | 59 Ų | 59 | 74.6 Ų | 74.6 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 3.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1710 | A1710-G1712 VanDerWaalsContact C-N 3.34Å; A1710-G1712 PolarHBondContact O-N 3.48Å |
| 1713 | A | 59.3 | Low | 50.9 | Low | 9 Ų | 9 | 73.2 Ų | 73.2 | 7% | 0.074 | 45% | 0.453 | C | S | . | . | trans | -69.2 | 138.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | C1709 A1710 G1711 C1720 V1721 L1728 C1733 | C1709-A1713 HydrophobicContact CB-CB 4.01Å; C1709-A1713 WeakPolarHBondContact CB-O 3.15Å; A1710-A1713 PolarHBondContact O-N 3.41Å; G1711-A1713 VanDerWaalsContact C-N 3.35Å; A1713-C1720 HydrophobicContact CB-CB 4.11Å; A1713-V1721 CarbonylContact C-O 3.56Å; A1713-V1721 WeakPolarHBondContact CA-O 3.4Å; A1713-L1728 HydrophobicContact CB-CD1 4.1Å; A1713-C1733 VanDerWaalsContact CA-SG 3.53Å; A1713-C1733 PolarHBondContact N-SG 2.04Å | ||
| 1714 | S | 57.8 | Low | 50.5 | Low | 83 Ų | 83 | 77.5 Ų | 77.5 | 58% | 0.58 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 144.6 | 173.2 | -168.3 | 0 | 0 | 0 | 0 | 109.9 | H1716 V1721 | S1714-H1716 PolarHBondContact O-N 3.37Å; S1714-V1721 PolarHBondContact N-O 2.81Å; S1714-V1721 PolarHBondContact O-N 3.47Å |
| 1715 | C | 60.3 | Low | 50.8 | Low | 54 Ų | 54 | 80.9 Ų | 80.9 | 37% | 0.365 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 113.6 | 177 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | C1703 | C1703-C1715 HydrophobicContact CB-CB 3.95Å; C1703-C1715 WeakPolarHBondContact CB-SG 3.42Å; C1703-C1715 PolarHBondContact O-SG 3.15Å; C1703-C1715 WeakPolarHBondContact SG-CA 3.29Å; C1703-C1715 WeakPolarHBondContact SG-CB 3.32Å; C1703-C1715 CovalentContact SG-SG 2.04Å; C1703-C1715 PolarHBondContact SG-SG 2.76Å |
| 1716 | H | 50.7 | Low | 51.2 | Low | 109 Ų | 109 | 77.4 Ų | 77.4 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | trans | -121.7 | 109.8 | 175.3 | -165.2 | 83.2 | 0 | 0 | 0 | 111.3 | S1714 G1718 V1719 V1721 | S1714-H1716 PolarHBondContact O-N 3.37Å; H1716-G1718 PolarHBondContact O-N 2.98Å; H1716-V1719 PolarHBondContact N-O 3.22Å; H1716-V1719 PolarHBondContact O-N 3.09Å; H1716-V1721 HydrophobicContact CB-CG2 3.78Å | ||
| 1717 | R | 49.8 | Very low | 51.4 | Low | 232 Ų | 232 | 78.1 Ų | 78.1 | 88% | 0.875 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 49.5 | 43.5 | 170.5 | -63.3 | 178 | 169.5 | 167.3 | -3.6 | 115.3 | ||
| 1718 | G | 53.4 | Low | 51.7 | Low | 24 Ų | 24 | 76.3 Ų | 76.3 | 25% | 0.247 | 45% | 0.452 | C | S | . | . | S | Bend | trans | 81.2 | 29.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1702 C1703 H1716 | T1702-G1718 WeakPolarHBondContact CA-O 3.49Å; T1702-G1718 WeakPolarHBondContact CB-O 3.33Å; T1702-G1718 WeakPolarHBondContact CG2-O 3.35Å; C1703-G1718 VanDerWaalsContact N-C 3.33Å; C1703-G1718 WeakPolarHBondContact O-CA 3Å; C1703-G1718 PolarHBondContact O-N 2.89Å; C1703-G1718 VanDerWaalsContact O-N 3.15Å; H1716-G1718 PolarHBondContact O-N 2.98Å |
| 1719 | V | 59.3 | Low | 51.9 | Low | 40 Ų | 40 | 74.6 Ų | 74.6 | 24% | 0.242 | 44% | 0.442 | C | S | . | . | trans | -147.7 | 136 | 163.6 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | S1700 F1701 C1703 H1716 V1721 | S1700-V1719 VanDerWaalsContact OG-CG1 3.23Å; S1700-V1719 WeakPolarHBondContact OG-CG1 3.28Å; F1701-V1719 CarbonylContact O-C 3.53Å; F1701-V1719 VanDerWaalsContact O-CA 3.3Å; F1701-V1719 WeakPolarHBondContact O-CA 3.38Å; C1703-V1719 PolarHBondContact SG-N 2.76Å; C1703-V1719 PolarHBondContact SG-O 2.03Å; H1716-V1719 PolarHBondContact N-O 3.22Å; H1716-V1719 PolarHBondContact O-N 3.09Å; V1719-V1721 HydrophobicContact CG1-CG1 4Å | ||
| 1720 | C | 57.4 | Low | 51.7 | Low | 21 Ų | 21 | 81.7 Ų | 81.7 | 14% | 0.142 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 115.5 | 165.7 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | F1701 C1709 A1713 | F1701-C1720 PolarHBondContact O-N 2.71Å; C1709-C1720 VanDerWaalsContact CA-SG 3.6Å; C1709-C1720 HydrophobicContact CB-CB 3.71Å; C1709-C1720 WeakPolarHBondContact CB-SG 3.39Å; C1709-C1720 WeakPolarHBondContact SG-CA 3.25Å; C1709-C1720 WeakPolarHBondContact SG-CB 3.05Å; C1709-C1720 CovalentContact SG-SG 2.03Å; C1709-C1720 PolarHBondContact SG-SG 3.16Å; A1713-C1720 HydrophobicContact CB-CB 4.11Å |
| 1721 | V | 61.9 | Low | 51.8 | Low | 68 Ų | 68 | 79.8 Ų | 79.8 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 139.3 | -177 | -90 | 0 | 0 | 0 | 0 | 113.1 | A1713 S1714 H1716 V1719 | A1713-V1721 CarbonylContact C-O 3.56Å; A1713-V1721 WeakPolarHBondContact CA-O 3.4Å; S1714-V1721 PolarHBondContact N-O 2.81Å; S1714-V1721 PolarHBondContact O-N 3.47Å; H1716-V1721 HydrophobicContact CB-CG2 3.78Å; V1719-V1721 HydrophobicContact CG1-CG1 4Å |
| 1722 | C | 52.9 | Low | 51.3 | Low | 31 Ų | 31 | 84 Ų | 84 | 21% | 0.209 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 144.7 | 174.6 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | M1726 L1728 C1733 | C1722-M1726 HydrophobicContact CB-CB 4.12Å; C1722-M1726 WeakPolarHBondContact CB-O 3.08Å; C1722-L1728 WeakPolarHBondContact SG-CD1 3.47Å; C1722-C1733 WeakPolarHBondContact CA-SG 3.34Å; C1722-C1733 HydrophobicContact CB-CB 3.72Å; C1722-C1733 WeakPolarHBondContact CB-SG 3.1Å; C1722-C1733 WeakPolarHBondContact SG-CA 2.82Å; C1722-C1733 WeakPolarHBondContact SG-CB 3.32Å; C1722-C1733 CovalentContact SG-SG 2.03Å; C1722-C1733 PolarHBondContact SG-SG 3.4Å |
| 1723 | P | 51.9 | Low | 50.9 | Low | 80 Ų | 80 | 81.8 Ų | 81.8 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -68 | 134.1 | 164.4 | 29.2 | -32.6 | 0 | 0 | 0 | 110.6 | M1726 | P1723-M1726 VanDerWaalsContact O-CB 3.29Å; P1723-M1726 WeakPolarHBondContact O-CB 3.48Å; P1723-M1726 PolarHBondContact O-N 2.93Å |
| 1724 | A | 41.5 | Very low | 50.4 | Low | 101 Ų | 101 | 87.3 Ų | 87.3 | 84% | 0.835 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 148.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1726 | A1724-M1726 VanDerWaalsContact C-N 3.33Š|
| 1725 | Q | 47.9 | Very low | 49.4 | Very low | 152 Ų | 152 | 87.3 Ų | 87.3 | 71% | 0.71 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.3 | 25.8 | -1.1 | -64 | 178.8 | -24.9 | 0 | 0 | 113.4 | L1727 | Q1725-L1727 PolarHBondContact O-N 2.98Š|
| 1726 | M | 47.4 | Very low | 47.9 | Very low | 80 Ų | 80 | 91.3 Ų | 91.3 | 39% | 0.394 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 117.9 | -179.4 | -60.9 | -162.9 | 179.9 | 0 | 0 | 110.8 | C1722 P1723 A1724 C1733 Q1734 P1735 | C1722-M1726 HydrophobicContact CB-CB 4.12Å; C1722-M1726 WeakPolarHBondContact CB-O 3.08Å; P1723-M1726 VanDerWaalsContact O-CB 3.29Å; P1723-M1726 WeakPolarHBondContact O-CB 3.48Å; P1723-M1726 PolarHBondContact O-N 2.93Å; A1724-M1726 VanDerWaalsContact C-N 3.33Å; M1726-C1733 HydrophobicContact CB-CB 3.65Å; M1726-C1733 HydrophobicContact CG-CB 4.35Å; M1726-C1733 HydrophobicContact SD-CB 3.79Å; M1726-C1733 VanDerWaalsContact SD-O 3.37Å; M1726-Q1734 CarbonylContact C-O 3.49Å; M1726-Q1734 VanDerWaalsContact CA-O 3.32Å; M1726-Q1734 WeakPolarHBondContact CA-O 3.29Å; M1726-P1735 HydrophobicContact CE-CG 4.32Å; M1726-P1735 HydrophobicContact CG-CB 4.13Å; M1726-P1735 HydrophobicContact CG-CG 4.46Å |
| 1727 | L | 46.4 | Very low | 46.8 | Very low | 120 Ų | 120 | 92.6 Ų | 92.6 | 63% | 0.628 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 143.6 | 171.1 | -106 | 170.2 | 0 | 0 | 0 | 109.8 | Q1725 I1729 Q1734 | Q1725-L1727 PolarHBondContact O-N 2.98Å; L1727-I1729 PolarHBondContact O-N 2.84Å; L1727-Q1734 PolarHBondContact N-O 3.39Å; L1727-Q1734 PolarHBondContact O-N 2.99Å |
| 1728 | L | 47.8 | Very low | 45.6 | Very low | 67 Ų | 67 | 84 Ų | 84 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 85.1 | 177.9 | -168.4 | 80.5 | 0 | 0 | 0 | 109.6 | A1713 C1722 G1731 Q1732 | A1713-L1728 HydrophobicContact CB-CD1 4.1Å; C1722-L1728 WeakPolarHBondContact SG-CD1 3.47Å; L1728-G1731 VanDerWaalsContact CD1-C 3.48Å; L1728-Q1732 WeakPolarHBondContact CA-O 3.21Å |
| 1729 | I | 47.3 | Very low | 44.2 | Very low | 126 Ų | 126 | 88.9 Ų | 88.9 | 65% | 0.646 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 120.1 | 173.1 | -59.5 | -177.9 | 0 | 0 | 0 | 107.5 | L1727 G1731 Q1732 | L1727-I1729 PolarHBondContact O-N 2.84Å; I1729-G1731 PolarHBondContact O-N 3.29Å; I1729-G1731 VanDerWaalsContact O-N 3.1Å; I1729-Q1732 PolarHBondContact N-O 3.37Å; I1729-Q1732 PolarHBondContact O-N 2.82Å |
| 1730 | D | 42.4 | Very low | 42.5 | Very low | 171 Ų | 171 | 89.1 Ų | 89.1 | 91% | 0.914 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.4 | 43.6 | -173.1 | -70.9 | 3.5 | 0 | 0 | 0 | 114.9 | ||
| 1731 | G | 47.3 | Very low | 40.9 | Very low | 27 Ų | 27 | 95.5 Ų | 95.5 | 28% | 0.278 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 12 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1710 G1711 L1728 I1729 | A1710-G1731 CarbonylContact C-O 3.56Å; G1711-G1731 WeakPolarHBondContact CA-O 3.33Å; L1728-G1731 VanDerWaalsContact CD1-C 3.48Å; I1729-G1731 PolarHBondContact O-N 3.29Å; I1729-G1731 VanDerWaalsContact O-N 3.1Å |
| 1732 | Q | 42.6 | Very low | 39.1 | Very low | 109 Ų | 109 | 100.3 Ų | 100.3 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.8 | 169.6 | -65.2 | -119.5 | -15.7 | 0 | 0 | 112.5 | L1728 I1729 Q1734 | L1728-Q1732 WeakPolarHBondContact CA-O 3.21Å; I1729-Q1732 PolarHBondContact N-O 3.37Å; I1729-Q1732 PolarHBondContact O-N 2.82Å; Q1732-Q1734 PolarHBondContact O-N 2.93Å |
| 1733 | C | 44.1 | Very low | 37.7 | Very low | 13 Ų | 13 | 102.5 Ų | 102.5 | 9% | 0.088 | 58% | 0.583 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -79 | 113.7 | 175.9 | -59.6 | 0 | 0 | 0 | 0 | 110 | G1711 A1713 C1722 M1726 | G1711-C1733 WeakPolarHBondContact O-CB 3.34Å; G1711-C1733 PolarHBondContact O-N 2.79Å; A1713-C1733 VanDerWaalsContact CA-SG 3.53Å; A1713-C1733 PolarHBondContact N-SG 2.04Å; C1722-C1733 WeakPolarHBondContact CA-SG 3.34Å; C1722-C1733 HydrophobicContact CB-CB 3.72Å; C1722-C1733 WeakPolarHBondContact CB-SG 3.1Å; C1722-C1733 WeakPolarHBondContact SG-CA 2.82Å; C1722-C1733 WeakPolarHBondContact SG-CB 3.32Å; C1722-C1733 CovalentContact SG-SG 2.03Å; C1722-C1733 PolarHBondContact SG-SG 3.4Å; M1726-C1733 HydrophobicContact CB-CB 3.65Å; M1726-C1733 HydrophobicContact CG-CB 4.35Å; M1726-C1733 HydrophobicContact SD-CB 3.79Å; M1726-C1733 VanDerWaalsContact SD-O 3.37Å |
| 1734 | Q | 48.7 | Very low | 36.3 | Very low | 125 Ų | 125 | 104.1 Ų | 104.1 | 58% | 0.584 | 60% | 0.596 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -135 | 137.9 | 172.8 | -66 | -166.6 | -12.8 | 0 | 0 | 113.2 | M1726 L1727 Q1732 | M1726-Q1734 CarbonylContact C-O 3.49Å; M1726-Q1734 VanDerWaalsContact CA-O 3.32Å; M1726-Q1734 WeakPolarHBondContact CA-O 3.29Å; L1727-Q1734 PolarHBondContact N-O 3.39Å; L1727-Q1734 PolarHBondContact O-N 2.99Å; Q1732-Q1734 PolarHBondContact O-N 2.93Å |
| 1735 | P | 36.1 | Very low | 35.4 | Very low | 83 Ų | 83 | 102 Ų | 102 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.2 | 151.7 | -175.7 | 34.5 | -34.5 | 0 | 0 | 0 | 112.6 | M1726 | M1726-P1735 HydrophobicContact CE-CG 4.32Å; M1726-P1735 HydrophobicContact CG-CB 4.13Å; M1726-P1735 HydrophobicContact CG-CG 4.46Å |
| 1736 | L | 28.8 | Very low | 34.2 | Very low | 139 Ų | 139 | 101.2 Ų | 101.2 | 73% | 0.728 | 58% | 0.575 | S | S | * | * | trans | -86.5 | 128.5 | 177.7 | -152.2 | 80.7 | 0 | 0 | 0 | 110.9 | ||||
| 1737 | L | 28.6 | Very low | 33 | Very low | 136 Ų | 136 | 99.2 Ų | 99.2 | 71% | 0.712 | 57% | 0.567 | S | S | * | * | trans | -150.9 | 162.6 | 173.9 | -140.6 | 72 | 0 | 0 | 0 | 112.3 | T1758 | L1737-T1758 HydrophobicContact CD2-CG2 3.85Å; L1737-T1758 WeakPolarHBondContact CG-OG1 3.44Å | ||
| 1738 | V | 22.9 | Very low | 31.7 | Very low | 50 Ų | 50 | 98.1 Ų | 98.1 | 30% | 0.303 | 56% | 0.56 | S | S | . | * | trans | -137.6 | 138.8 | -150.1 | 134.1 | 0 | 0 | 0 | 0 | 110.2 | V1755 T1757 T1758 | V1738-V1755 VanDerWaalsContact CG1-C 3.48Å; V1738-V1755 HydrophobicContact CG1-CB 4.24Å; V1738-V1755 HydrophobicContact CG1-CG1 4.03Å; V1738-V1755 VanDerWaalsContact CG1-O 3.27Å; V1738-V1755 WeakPolarHBondContact CG1-O 3.25Å; V1738-V1755 HydrophobicContact CG2-CB 4.46Å; V1738-V1755 WeakPolarHBondContact CG2-O 3.34Å; V1738-T1757 CarbonylContact O-C 3.53Å; V1738-T1758 WeakPolarHBondContact O-CB 3.03Å; V1738-T1758 PolarHBondContact O-N 2.98Å; V1738-T1758 PolarHBondContact O-OG1 3.14Å | ||
| 1739 | L | 25.7 | Very low | 30.4 | Very low | 128 Ų | 128 | 98.3 Ų | 98.3 | 67% | 0.67 | 57% | 0.566 | S | S | * | * | trans | -143.5 | 140.5 | -170.5 | -83.8 | 170.3 | 0 | 0 | 0 | 114.9 | Y1756 T1758 | L1739-Y1756 WeakPolarHBondContact O-CA 3.42Å; L1739-T1758 WeakPolarHBondContact CD2-O 3.32Å | ||
| 1740 | S | 21.8 | Very low | 29 | Very low | 45 Ų | 45 | 96.9 Ų | 96.9 | 32% | 0.315 | 56% | 0.564 | S | S | . | * | trans | -119.8 | 139.4 | -164.3 | -155.9 | 0 | 0 | 0 | 0 | 115.7 | Y1756 T1757 | S1740-Y1756 VanDerWaalsContact CB-O 3.27Å; S1740-Y1756 WeakPolarHBondContact CB-O 3.3Å; S1740-Y1756 WeakPolarHBondContact OG-CB 3.46Å; S1740-Y1756 PolarHBondContact OG-O 2.93Å; S1740-T1757 WeakPolarHBondContact CB-OG1 3.02Å; S1740-T1757 PolarHBondContact OG-OG1 3.33Å | ||
| 1741 | L | 25.6 | Very low | 28 | Very low | 154 Ų | 154 | 95.9 Ų | 95.9 | 81% | 0.806 | 55% | 0.554 | S | S | * | * | trans | -150.2 | 147.1 | 166.5 | -76.8 | 174.3 | 0 | 0 | 0 | 110.9 | ||||
| 1742 | N | 22.5 | Very low | 26.7 | Very low | 170 Ų | 170 | 104.1 Ų | 104.1 | 91% | 0.909 | 58% | 0.576 | S | S | * | * | trans | -92.9 | 137.3 | 171.4 | -72.4 | -44.8 | 0 | 0 | 0 | 110.5 | ||||
| 1743 | G | 24.5 | Very low | 25.6 | Very low | 77 Ų | 77 | 106.1 Ų | 106.1 | 79% | 0.794 | 59% | 0.586 | S | S | * | * | trans | -161.9 | 121.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1744 | S | 22.4 | Very low | 24.6 | Very low | 114 Ų | 114 | 110.9 Ų | 110.9 | 80% | 0.797 | 62% | 0.616 | S | S | * | * | trans | -51.9 | 147.2 | 178.7 | 56.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1745 | A | 22 | Very low | 23.3 | Very low | 57 Ų | 57 | 109.7 Ų | 109.7 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | 72.7 | 60.2 | 126 | 0 | 0 | 0 | 0 | 0 | 120.4 | K1937 | A1745-K1937 WeakPolarHBondContact O-CE 3.34Š| |||
| 1746 | E | 23.5 | Very low | 22.5 | Very low | 135 Ų | 135 | 112.4 Ų | 112.4 | 63% | 0.631 | 62% | 0.618 | S | S | * | * | trans | -151.9 | 156.2 | 146.4 | -123.3 | -178.4 | -139.6 | 0 | 0 | 114.2 | M1748 R1927 | E1746-M1748 PolarHBondContact O-N 3.2Å; E1746-R1927 VanDerWaalsContact CD-NH2 3.33Å; E1746-R1927 IonicContact OE1-NH2 3.3Å; E1746-R1927 PolarHBondContact OE1-NH2 2.9Å; E1746-R1927 IonicContact OE2-CZ 2.81Å; E1746-R1927 IonicContact OE2-NH1 2.96Å; E1746-R1927 PolarHBondContact OE2-NH1 3Å; E1746-R1927 IonicContact OE2-NH2 3.66Å; E1746-R1927 PolarHBondContact OE2-NH2 3.4Å | ||
| 1747 | T | 22 | Very low | 22.1 | Very low | 37 Ų | 37 | 109.1 Ų | 109.1 | 23% | 0.227 | 60% | 0.604 | C | S | . | * | trans | -34.4 | 111.3 | -174.3 | 60.5 | 0 | 0 | 0 | 0 | 115.7 | S1749 R1927 I1929 | T1747-S1749 PolarHBondContact O-N 2.74Å; T1747-R1927 PolarHBondContact OG1-NH1 3.01Å; T1747-I1929 HydrophobicContact CG2-CD1 3.47Å; T1747-I1929 VanDerWaalsContact CG2-CD1 3.47Å; T1747-I1929 HydrophobicContact CG2-CG1 4.26Å | ||
| 1748 | M | 18.9 | Very low | 21.9 | Very low | 98 Ų | 98 | 104.9 Ų | 104.9 | 48% | 0.483 | 58% | 0.584 | S | S | . | * | 51.3 | 57 | 86.3 | -58.5 | -177 | 74.9 | 0 | 0 | 115.6 | E1746 I1929 F1930 | E1746-M1748 PolarHBondContact O-N 3.2Å; M1748-I1929 HydrophobicContact CB-CD1 4.45Å; M1748-I1929 HydrophobicContact CB-CG1 4.45Å; M1748-I1929 HydrophobicContact CB-CG2 3.76Å; M1748-I1929 HydrophobicContact CE-CG2 3.62Å; M1748-I1929 HydrophobicContact CG-CG2 4.46Å; M1748-I1929 HydrophobicContact SD-CG2 3.86Å; M1748-F1930 HydrophobicContact CE-CD2 3.73Å; M1748-F1930 HydrophobicContact CE-CE2 3.37Å; M1748-F1930 HydrophobicContact CE-CZ 4.28Å | |||
| 1749 | S | 20.1 | Very low | 21.9 | Very low | 70 Ų | 70 | 108.5 Ų | 108.5 | 49% | 0.49 | 60% | 0.6 | S | S | . | * | trans | -149.1 | 106.9 | 169.8 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | T1747 Q1917 | T1747-S1749 PolarHBondContact O-N 2.74Å; S1749-Q1917 PolarHBondContact OG-NE2 3.48Å | ||
| 1750 | T | 19.1 | Very low | 21.7 | Very low | 96 Ų | 96 | 111.9 Ų | 111.9 | 59% | 0.589 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 38.2 | 79.2 | 163.4 | 45.1 | 0 | 0 | 0 | 0 | 116.2 | Q1917 | T1750-Q1917 PolarHBondContact OG1-NE2 2.79Š|
| 1751 | Q | 19.9 | Very low | 21.8 | Very low | 151 Ų | 151 | 117.2 Ų | 117.2 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | 89.8 | 108.1 | 88.5 | -82.7 | -75.5 | -4 | 0 | 0 | 114 | |||||
| 1752 | R | 19.8 | Very low | 21.6 | Very low | 200 Ų | 200 | 112.7 Ų | 112.7 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | trans | 61.4 | 113.7 | 159 | -72 | 173.3 | 173.6 | 166.6 | -1.1 | 119.8 | ||||
| 1753 | E | 19.8 | Very low | 21.6 | Very low | 151 Ų | 151 | 105 Ų | 105 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | trans | 55.3 | 109.8 | 132.7 | -66.2 | 147.7 | -150.7 | 0 | 0 | 117.9 | ||||
| 1754 | P | 23.9 | Very low | 21.5 | Very low | 112 Ų | 112 | 101.6 Ų | 101.6 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | -91.5 | 160.9 | 100.1 | -27.2 | 37.4 | 0 | 0 | 0 | 113.6 | Y1756 | P1754-Y1756 VanDerWaalsContact O-CD2 3.3Å; P1754-Y1756 WeakPolarHBondContact O-CD2 3.36Å | |||
| 1755 | V | 22.1 | Very low | 21.5 | Very low | 100 Ų | 100 | 97 Ų | 97 | 61% | 0.606 | 50% | 0.499 | S | S | * | . | trans | -86.7 | 154.2 | -173.7 | -178.3 | 0 | 0 | 0 | 0 | 112 | V1738 | V1738-V1755 VanDerWaalsContact CG1-C 3.48Å; V1738-V1755 HydrophobicContact CG1-CB 4.24Å; V1738-V1755 HydrophobicContact CG1-CG1 4.03Å; V1738-V1755 VanDerWaalsContact CG1-O 3.27Å; V1738-V1755 WeakPolarHBondContact CG1-O 3.25Å; V1738-V1755 HydrophobicContact CG2-CB 4.46Å; V1738-V1755 WeakPolarHBondContact CG2-O 3.34Å | ||
| 1756 | Y | 19.3 | Very low | 21.6 | Very low | 140 Ų | 140 | 99 Ų | 99 | 55% | 0.549 | 50% | 0.498 | S | S | . | . | trans | -134.9 | 100.1 | -162.1 | -93.3 | -133.1 | 0 | 0 | 0 | 107.8 | L1739 S1740 P1754 | L1739-Y1756 WeakPolarHBondContact O-CA 3.42Å; S1740-Y1756 VanDerWaalsContact CB-O 3.27Å; S1740-Y1756 WeakPolarHBondContact CB-O 3.3Å; S1740-Y1756 WeakPolarHBondContact OG-CB 3.46Å; S1740-Y1756 PolarHBondContact OG-O 2.93Å; P1754-Y1756 VanDerWaalsContact O-CD2 3.3Å; P1754-Y1756 WeakPolarHBondContact O-CD2 3.36Å | ||
| 1757 | T | 20.1 | Very low | 21.5 | Very low | 71 Ų | 71 | 97 Ų | 97 | 44% | 0.436 | 50% | 0.495 | S | S | . | . | trans | 164.6 | 129 | 143.5 | -45.1 | 0 | 0 | 0 | 0 | 111.5 | V1738 S1740 I1759 | V1738-T1757 CarbonylContact O-C 3.53Å; S1740-T1757 WeakPolarHBondContact CB-OG1 3.02Å; S1740-T1757 PolarHBondContact OG-OG1 3.33Å; T1757-I1759 HydrophobicContact CG2-CB 4.14Å; T1757-I1759 HydrophobicContact CG2-CD1 4.12Å; T1757-I1759 HydrophobicContact CG2-CG1 4.02Å | ||
| 1758 | T | 24 | Very low | 21.6 | Very low | 47 Ų | 47 | 100.3 Ų | 100.3 | 29% | 0.288 | 51% | 0.511 | S | S | . | . | trans | -130.5 | 111.3 | 151.3 | -62.8 | 0 | 0 | 0 | 0 | 106.9 | L1737 V1738 L1739 | L1737-T1758 HydrophobicContact CD2-CG2 3.85Å; L1737-T1758 WeakPolarHBondContact CG-OG1 3.44Å; V1738-T1758 WeakPolarHBondContact O-CB 3.03Å; V1738-T1758 PolarHBondContact O-N 2.98Å; V1738-T1758 PolarHBondContact O-OG1 3.14Å; L1739-T1758 WeakPolarHBondContact CD2-O 3.32Å | ||
| 1759 | I | 22.7 | Very low | 21.7 | Very low | 126 Ų | 126 | 101.9 Ų | 101.9 | 65% | 0.646 | 52% | 0.517 | S | S | * | . | trans | -139.7 | 117.2 | 174.2 | -78.4 | 177.7 | 0 | 0 | 0 | 105.1 | T1757 | T1757-I1759 HydrophobicContact CG2-CB 4.14Å; T1757-I1759 HydrophobicContact CG2-CD1 4.12Å; T1757-I1759 HydrophobicContact CG2-CG1 4.02Å | ||
| 1760 | Y | 21.9 | Very low | 21.8 | Very low | 198 Ų | 198 | 100 Ų | 100 | 78% | 0.776 | 50% | 0.504 | S | S | * | . | trans | 39.9 | 107.9 | 176.2 | -56.1 | -71.3 | 0 | 0 | 0 | 116.5 | ||||
| 1761 | H | 23.7 | Very low | 22.1 | Very low | 158 Ų | 158 | 98.9 Ų | 98.9 | 73% | 0.731 | 51% | 0.505 | S | S | * | . | cis | 51.9 | 127.2 | 30 | -118 | -56.1 | 0 | 0 | 0 | 115.7 | ||||
| 1762 | S | 22.4 | Very low | 22.3 | Very low | 59 Ų | 59 | 99.8 Ų | 99.8 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | trans | 65.6 | 134.3 | -159.5 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1763 | S | 22 | Very low | 22.7 | Very low | 7 Ų | 7 | 99.5 Ų | 99.5 | 5% | 0.049 | 52% | 0.516 | C | S | . | . | cis | -140.1 | -121.7 | 24.2 | -44.9 | 0 | 0 | 0 | 0 | 114.5 | L2166 N2167 S2168 S2179 T2180 | S1763-L2166 WeakPolarHBondContact CB-O 3.26Å; S1763-L2166 PolarHBondContact OG-O 3.11Å; S1763-N2167 CarbonylContact C-O 3.58Å; S1763-N2167 VanDerWaalsContact N-CB 3.34Å; S1763-S2168 WeakPolarHBondContact CB-OG 3.32Å; S1763-S2168 PolarHBondContact OG-OG 3.33Å; S1763-S2168 VanDerWaalsContact OG-OG 3.06Å; S1763-S2179 CarbonylContact O-C 3.58Å; S1763-S2179 WeakPolarHBondContact O-CA 3.38Å; S1763-S2179 WeakPolarHBondContact O-CB 3.29Å; S1763-S2179 PolarHBondContact O-OG 3.34Å; S1763-T2180 VanDerWaalsContact C-OG1 3.28Å; S1763-T2180 PolarHBondContact O-N 3.38Å; S1763-T2180 PolarHBondContact O-OG1 2.93Å | ||
| 1764 | T | 22.6 | Very low | 23.7 | Very low | 7 Ų | 7 | 101.2 Ų | 101.2 | 4% | 0.043 | 52% | 0.521 | C | S | . | . | B | Isolated β-bridge | -136.3 | 152.6 | -126.8 | 62.2 | 0 | 0 | 0 | 0 | 120.3 | N2167 S2168 K2169 C2177 V2178 T2180 | T1764-N2167 PolarHBondContact N-O 2.82Å; T1764-S2168 WeakPolarHBondContact OG1-CA 3.18Å; T1764-S2168 WeakPolarHBondContact OG1-CB 3.04Å; T1764-S2168 PolarHBondContact OG1-OG 3.05Å; T1764-K2169 CarbonylContact C-O 3.51Å; T1764-K2169 VanDerWaalsContact C-O 3.27Å; T1764-K2169 VanDerWaalsContact CB-O 3.26Å; T1764-K2169 WeakPolarHBondContact CB-O 3.36Å; T1764-K2169 PolarHBondContact O-N 2.82Å; T1764-K2169 PolarHBondContact OG1-N 3.46Å; T1764-K2169 PolarHBondContact OG1-O 3.49Å; T1764-C2177 HydrophobicContact CG2-CB 3.68Å; T1764-C2177 VanDerWaalsContact CG2-O 3.22Å; T1764-C2177 WeakPolarHBondContact CG2-O 3.44Å; T1764-V2178 CarbonylContact C-O 3.32Å; T1764-V2178 WeakPolarHBondContact CA-O 3.02Å; T1764-V2178 VanDerWaalsContact CB-C 3.45Å; T1764-V2178 VanDerWaalsContact CB-N 3.32Å; T1764-V2178 WeakPolarHBondContact CB-O 3.12Å; T1764-T2180 VanDerWaalsContact CA-N 3.31Å; T1764-T2180 VanDerWaalsContact CA-OG1 3.24Å; T1764-T2180 WeakPolarHBondContact CA-OG1 3.05Å; T1764-T2180 PolarHBondContact N-OG1 2.74Å; T1764-T2180 WeakPolarHBondContact O-CG2 3.41Å; T1764-T2180 PolarHBondContact O-OG1 3.07Å | |
| 1765 | A | 22.8 | Very low | 25 | Very low | 18 Ų | 18 | 98.2 Ų | 98.2 | 15% | 0.149 | 51% | 0.506 | C | S | . | . | trans | -103.5 | 173.4 | -156.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | N2171 V2178 S2179 T2180 | A1765-N2171 WeakPolarHBondContact O-CA 3.26Å; A1765-V2178 WeakPolarHBondContact CB-O 3.41Å; A1765-V2178 PolarHBondContact N-O 3.28Å; A1765-S2179 WeakPolarHBondContact CB-O 3.42Å; A1765-T2180 HydrophobicContact CB-CG2 4.26Å | ||
| 1766 | H | 22.7 | Very low | 27.3 | Very low | 98 Ų | 98 | 96.5 Ų | 96.5 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | -172.5 | 143.8 | 109.1 | -110.8 | -121.8 | 0 | 0 | 0 | 114.3 | N2171 V2172 | H1766-N2171 WeakPolarHBondContact CD2-CB 3.23Å; H1766-N2171 WeakPolarHBondContact NE2-CB 3.16Å; H1766-V2172 HydrophobicContact CB-CG2 3.64Å | |||
| 1767 | V | 22.8 | Very low | 29.8 | Very low | 93 Ų | 93 | 91.5 Ų | 91.5 | 56% | 0.564 | 48% | 0.475 | S | S | * | . | trans | 72.5 | 119 | 141.8 | 175.1 | 0 | 0 | 0 | 0 | 122.7 | V2172 | V1767-V2172 HydrophobicContact CB-CG2 4.38Å; V1767-V2172 HydrophobicContact CG2-CG2 4.35Å | ||
| 1768 | N | 23 | Very low | 32.2 | Very low | 107 Ų | 107 | 88.1 Ų | 88.1 | 57% | 0.572 | 46% | 0.455 | S | S | * | . | trans | 33.4 | 153.1 | 146.2 | -63 | 36.9 | 0 | 0 | 0 | 124.6 | L2184 | N1768-L2184 VanDerWaalsContact CA-CD1 3.42Š| ||
| 1769 | E | 21.6 | Very low | 34.1 | Very low | 130 Ų | 130 | 93.2 Ų | 93.2 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | cis | -133.4 | 133.8 | -1.5 | -166.8 | 131 | -61 | 0 | 0 | 109.8 | L2185 | E1769-L2185 WeakPolarHBondContact O-CA 3.47Å; E1769-L2185 WeakPolarHBondContact O-CB 3.26Å; E1769-L2185 WeakPolarHBondContact O-CD1 3.07Å; E1769-L2185 WeakPolarHBondContact O-CG 3.45Å; E1769-L2185 PolarHBondContact O-N 3.05Å | ||
| 1770 | S | 21.7 | Very low | 36.7 | Very low | 31 Ų | 31 | 87.5 Ų | 87.5 | 22% | 0.217 | 44% | 0.44 | C | S | . | . | trans | 160.9 | 154.7 | 160.4 | 102.2 | 0 | 0 | 0 | 0 | 115.9 | A2183 L2184 L2185 | S1770-A2183 WeakPolarHBondContact O-CB 3.32Å; S1770-L2184 WeakPolarHBondContact O-CD2 3.4Å; S1770-L2184 PolarHBondContact O-N 3.01Å; S1770-L2184 WeakPolarHBondContact OG-CA 3.22Å; S1770-L2184 PolarHBondContact OG-N 3.03Å; S1770-L2184 PolarHBondContact OG-O 3.27Å; S1770-L2185 VanDerWaalsContact CB-CD1 3.48Å; S1770-L2185 VanDerWaalsContact CB-N 3.33Å; S1770-L2185 PolarHBondContact OG-N 3.21Å | ||
| 1771 | A | 25.3 | Very low | 39.3 | Very low | 73 Ų | 73 | 83 Ų | 83 | 60% | 0.603 | 43% | 0.433 | S | S | * | . | -113 | 175.9 | 111.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 1772 | Q | 25.1 | Very low | 42.2 | Very low | 169 Ų | 169 | 76 Ų | 76 | 79% | 0.79 | 40% | 0.401 | S | S | * | . | cis | -161.8 | 144.2 | 44.2 | -66.2 | 157.3 | -34.8 | 0 | 0 | 109.5 | ||||
| 1773 | Q | 28.4 | Very low | 44.3 | Very low | 195 Ų | 195 | 81 Ų | 81 | 91% | 0.911 | 42% | 0.416 | S | S | * | . | trans | -127.8 | 133.4 | 163.2 | -163.2 | 167 | 8.7 | 0 | 0 | 108 | ||||
| 1774 | F | 39.8 | Very low | 46 | Very low | 186 Ų | 186 | 87.2 Ų | 87.2 | 82% | 0.816 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 128.2 | -159.1 | -73.3 | -104.2 | 0 | 0 | 0 | 112.9 | ||
| 1775 | A | 52 | Low | 47.8 | Very low | 49 Ų | 49 | 91.3 Ų | 91.3 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -66 | 144.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F1787 A1789 | A1775-F1787 CarbonylContact C-O 3.6Å; A1775-F1787 WeakPolarHBondContact CA-O 3.45Å; A1775-A1789 HydrophobicContact CB-CB 3.74Å |
| 1776 | K | 69.6 | Low | 49.8 | Very low | 64 Ų | 64 | 93 Ų | 93 | 28% | 0.278 | 50% | 0.501 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 126.4 | -172.7 | -83.6 | -166.3 | -179.6 | 179.7 | 0 | 111.8 | S1780 T1781 C1782 D1786 F1787 C1788 A1789 | K1776-S1780 WeakPolarHBondContact CB-OG 3.47Å; K1776-T1781 WeakPolarHBondContact CD-O 3Å; K1776-T1781 PolarHBondContact NZ-O 2.87Å; K1776-C1782 HydrophobicContact CD-CB 4.42Å; K1776-D1786 HydrophobicContact CD-CB 4.03Å; K1776-D1786 VanDerWaalsContact CE-OD1 3.29Å; K1776-D1786 WeakPolarHBondContact CE-OD1 3.04Å; K1776-D1786 IonicContact NZ-OD1 2.7Å; K1776-D1786 PolarHBondContact NZ-OD1 3.03Å; K1776-D1786 IonicContact NZ-OD2 2.72Å; K1776-D1786 PolarHBondContact NZ-OD2 3.48Å; K1776-F1787 PolarHBondContact N-O 3.19Å; K1776-C1788 CarbonylContact O-C 3.57Å; K1776-C1788 WeakPolarHBondContact O-CA 3.43Å; K1776-A1789 WeakPolarHBondContact O-CB 3.04Å; K1776-A1789 PolarHBondContact O-N 2.93Å |
| 1777 | P | 71.6 | Confident | 51.8 | Low | 36 Ų | 36 | 96.8 Ų | 96.8 | 23% | 0.234 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 162.8 | 178.7 | 26.9 | -32.4 | 0 | 0 | 0 | 112.1 | S691 P692 S1780 C1799 | S691-P1777 WeakPolarHBondContact O-CG 3.5Å; P692-P1777 HydrophobicContact CB-CB 3.78Å; P692-P1777 HydrophobicContact CB-CG 4.33Å; P1777-S1780 WeakPolarHBondContact O-CB 3.45Å; P1777-S1780 PolarHBondContact O-N 2.68Å; P1777-S1780 VanDerWaalsContact O-N 3.1Å; P1777-S1780 PolarHBondContact O-OG 3.37Å; P1777-C1799 WeakPolarHBondContact O-CB 3.5Å |
| 1778 | L | 70.2 | Confident | 54.1 | Low | 0 Ų | 0 | 93.3 Ų | 93.3 | 0% | 0 | 50% | 0.495 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 154.7 | 179.8 | -176.9 | 74.6 | 0 | 0 | 0 | 109.5 | M693 C694 P695 S1780 T1792 C1799 A1807 | M693-L1778 VanDerWaalsContact CB-C 3.49Å; M693-L1778 HydrophobicContact CB-CB 3.46Å; M693-L1778 VanDerWaalsContact CB-CB 3.46Å; M693-L1778 HydrophobicContact CB-CD2 3.66Å; M693-L1778 HydrophobicContact CB-CG 3.5Å; M693-L1778 VanDerWaalsContact CB-CG 3.5Å; M693-L1778 WeakPolarHBondContact CB-O 3.29Å; M693-L1778 HydrophobicContact CE-CD1 3.86Å; M693-L1778 HydrophobicContact CE-CD2 3.82Å; M693-L1778 HydrophobicContact CE-CG 3.43Å; M693-L1778 VanDerWaalsContact CE-CG 3.43Å; M693-L1778 HydrophobicContact CG-CB 4.37Å; M693-L1778 HydrophobicContact CG-CD2 4.13Å; M693-L1778 HydrophobicContact CG-CG 3.95Å; M693-L1778 PolarHBondContact N-O 3.13Å; M693-L1778 WeakPolarHBondContact O-CB 3.36Å; M693-L1778 PolarHBondContact O-N 3.48Å; M693-L1778 VanDerWaalsContact O-N 3.08Å; M693-L1778 HydrophobicContact SD-CD2 3.46Å; M693-L1778 WeakPolarHBondContact SD-CD2 3.27Å; M693-L1778 HydrophobicContact SD-CG 3.63Å; C694-L1778 WeakPolarHBondContact O-CD2 3.09Å; P695-L1778 HydrophobicContact CB-CB 4.26Å; P695-L1778 HydrophobicContact CG-CB 3.96Å; L1778-S1780 PolarHBondContact O-N 3.1Å; L1778-S1780 VanDerWaalsContact O-N 3.1Å; L1778-T1792 HydrophobicContact CB-CG2 3.96Å; L1778-T1792 HydrophobicContact CD1-CG2 3.45Å; L1778-T1792 VanDerWaalsContact CD1-CG2 3.45Å; L1778-T1792 HydrophobicContact CD2-CG2 4.08Å; L1778-T1792 HydrophobicContact CG-CG2 4.02Å; L1778-C1799 CarbonylContact C-O 3.57Å; L1778-C1799 WeakPolarHBondContact CA-O 3.04Å; L1778-C1799 WeakPolarHBondContact CD1-O 3.46Å; L1778-A1807 HydrophobicContact CD2-CB 3.73Å |
| 1779 | W | 63.9 | Low | 56.5 | Low | 154 Ų | 154 | 88.5 Ų | 88.5 | 58% | 0.583 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 10.2 | -159.9 | -74.3 | 155.8 | 0 | 0 | 0 | 114.8 | S691 M693 I1798 C1799 | S691-W1779 PolarHBondContact OG-O 3.35Å; M693-W1779 HydrophobicContact CB-CB 4.37Å; M693-W1779 HydrophobicContact CB-CG 4.35Å; M693-W1779 HydrophobicContact CE-CB 4.43Å; M693-W1779 HydrophobicContact CE-CD2 3.18Å; M693-W1779 HydrophobicContact CE-CE3 3.38Å; M693-W1779 HydrophobicContact CE-CG 3.68Å; M693-W1779 HydrophobicContact CE-CH2 3.81Å; M693-W1779 HydrophobicContact CE-CZ2 3.64Å; M693-W1779 HydrophobicContact CE-CZ3 3.69Å; M693-W1779 HydrophobicContact CG-CB 3.82Å; M693-W1779 HydrophobicContact CG-CD2 3.88Å; M693-W1779 HydrophobicContact CG-CG 3.31Å; M693-W1779 HydrophobicContact SD-CD2 4.06Å; M693-W1779 HydrophobicContact SD-CG 4.15Å; M693-W1779 HydrophobicContact SD-CZ2 4.21Å; W1779-I1798 HydrophobicContact CE3-CG2 4.2Å; W1779-C1799 PolarHBondContact N-O 3.1Å |
| 1780 | S | 78.1 | Confident | 58.5 | Low | 6 Ų | 6 | 85.9 Ų | 85.9 | 4% | 0.042 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -94.2 | 150.1 | 169.6 | 81.9 | 0 | 0 | 0 | 0 | 111.6 | S691 K1776 P1777 L1778 I1798 C1799 | S691-S1780 WeakPolarHBondContact OG-CA 3.42Å; K1776-S1780 WeakPolarHBondContact CB-OG 3.47Å; P1777-S1780 WeakPolarHBondContact O-CB 3.45Å; P1777-S1780 PolarHBondContact O-N 2.68Å; P1777-S1780 VanDerWaalsContact O-N 3.1Å; P1777-S1780 PolarHBondContact O-OG 3.37Å; L1778-S1780 PolarHBondContact O-N 3.1Å; L1778-S1780 VanDerWaalsContact O-N 3.1Å; S1780-I1798 WeakPolarHBondContact O-CA 3.43Å; S1780-C1799 PolarHBondContact O-N 3.08Å |
| 1781 | T | 76.5 | Confident | 60.7 | Low | 104 Ų | 104 | 86.8 Ų | 86.8 | 64% | 0.638 | 48% | 0.476 | S | S | * | . | B | Isolated β-bridge | trans | -78.7 | 132 | -177.3 | 45.3 | 0 | 0 | 0 | 0 | 111.9 | K1776 G1797 I1798 | K1776-T1781 WeakPolarHBondContact CD-O 3Å; K1776-T1781 PolarHBondContact NZ-O 2.87Å; T1781-G1797 CarbonylContact C-O 3.49Å; T1781-G1797 VanDerWaalsContact CA-O 3.26Å; T1781-G1797 WeakPolarHBondContact CA-O 3.19Å; T1781-I1798 HydrophobicContact CG2-CG1 4.49Å |
| 1782 | C | 84.1 | Confident | 63.3 | Low | 9 Ų | 9 | 83.9 Ų | 83.9 | 6% | 0.061 | 45% | 0.45 | C | S | . | . | trans | -126.6 | 153.8 | -174.9 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | K1776 D1786 C1794 G1797 I1798 | K1776-C1782 HydrophobicContact CD-CB 4.42Å; C1782-D1786 WeakPolarHBondContact CA-OD2 3.36Å; C1782-D1786 HydrophobicContact CB-CB 3.82Å; C1782-C1794 VanDerWaalsContact C-SG 3.6Å; C1782-C1794 HydrophobicContact CB-CB 3.98Å; C1782-C1794 WeakPolarHBondContact CB-SG 2.98Å; C1782-C1794 WeakPolarHBondContact SG-CA 3.42Å; C1782-C1794 WeakPolarHBondContact SG-CB 3.37Å; C1782-C1794 CovalentContact SG-SG 2.03Å; C1782-C1794 PolarHBondContact SG-SG 3.45Å; C1782-G1797 PolarHBondContact N-O 3.27Å; C1782-G1797 CarbonylContact O-C 3.55Å; C1782-G1797 VanDerWaalsContact O-CA 3.31Å; C1782-G1797 WeakPolarHBondContact O-CA 2.97Å; C1782-I1798 PolarHBondContact SG-N 2.92Å; C1782-I1798 VanDerWaalsContact SG-N 3.37Å | ||
| 1783 | K | 67.8 | Low | 65.5 | Low | 164 Ų | 164 | 81.1 Ų | 81.1 | 71% | 0.713 | 44% | 0.437 | S | S | * | . | trans | -108.5 | 170.4 | 169.6 | -61.4 | -176.1 | 178.3 | -174.6 | 0 | 109 | A1785 D1786 | K1783-A1785 PolarHBondContact O-N 2.69Å; K1783-D1786 PolarHBondContact N-OD2 2.86Å; K1783-D1786 PolarHBondContact O-N 3.43Å | ||
| 1784 | S | 57.8 | Low | 68 | Low | 138 Ų | 138 | 74.2 Ų | 74.2 | 97% | 0.965 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 19.2 | -176.2 | -43.2 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1785 | A | 58.5 | Low | 69.6 | Low | 94 Ų | 94 | 68.3 Ų | 68.3 | 78% | 0.777 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.7 | 5.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1783 | K1783-A1785 PolarHBondContact O-N 2.69Š|
| 1786 | D | 65.3 | Low | 70.3 | Confident | 53 Ų | 53 | 73.2 Ų | 73.2 | 28% | 0.283 | 41% | 0.406 | S | S | . | . | trans | -80 | 126.8 | 177.2 | -83.2 | -54.4 | 0 | 0 | 0 | 110.6 | K1776 C1782 K1783 C1788 | K1776-D1786 HydrophobicContact CD-CB 4.03Å; K1776-D1786 VanDerWaalsContact CE-OD1 3.29Å; K1776-D1786 WeakPolarHBondContact CE-OD1 3.04Å; K1776-D1786 IonicContact NZ-OD1 2.7Å; K1776-D1786 PolarHBondContact NZ-OD1 3.03Å; K1776-D1786 IonicContact NZ-OD2 2.72Å; K1776-D1786 PolarHBondContact NZ-OD2 3.48Å; C1782-D1786 WeakPolarHBondContact CA-OD2 3.36Å; C1782-D1786 HydrophobicContact CB-CB 3.82Å; K1783-D1786 PolarHBondContact N-OD2 2.86Å; K1783-D1786 PolarHBondContact O-N 3.43Å; D1786-C1788 PolarHBondContact O-N 3.27Å | ||
| 1787 | F | 65 | Low | 70.5 | Confident | 178 Ų | 178 | 71.6 Ų | 71.6 | 78% | 0.781 | 41% | 0.407 | S | S | * | . | trans | -75.2 | 110.1 | 173 | -94.3 | -92.7 | 0 | 0 | 0 | 111.5 | A1775 K1776 | A1775-F1787 CarbonylContact C-O 3.6Å; A1775-F1787 WeakPolarHBondContact CA-O 3.45Å; K1776-F1787 PolarHBondContact N-O 3.19Å | ||
| 1788 | C | 71.5 | Confident | 70.7 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -75.9 | 136.9 | 169.5 | -69.2 | 0 | 0 | 0 | 0 | 110.7 | K1776 D1786 T1792 C1799 | K1776-C1788 CarbonylContact O-C 3.57Å; K1776-C1788 WeakPolarHBondContact O-CA 3.43Å; D1786-C1788 PolarHBondContact O-N 3.27Å; C1788-T1792 WeakPolarHBondContact CB-O 3.34Å; C1788-T1792 WeakPolarHBondContact CB-OG1 3.23Å; C1788-C1799 VanDerWaalsContact CA-SG 3.55Å; C1788-C1799 HydrophobicContact CB-CB 3.65Å; C1788-C1799 WeakPolarHBondContact CB-SG 3.4Å; C1788-C1799 WeakPolarHBondContact SG-CA 3.45Å; C1788-C1799 WeakPolarHBondContact SG-CB 3.46Å; C1788-C1799 CovalentContact SG-SG 2.04Å; C1788-C1799 PolarHBondContact SG-SG 3.1Å |
| 1789 | A | 73.4 | Confident | 71.2 | Confident | 7 Ų | 7 | 72.5 Ų | 72.5 | 6% | 0.058 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -77.4 | 148.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P695 A1775 K1776 G1791 T1792 | P695-A1789 HydrophobicContact CG-CB 4.01Å; A1775-A1789 HydrophobicContact CB-CB 3.74Å; K1776-A1789 WeakPolarHBondContact O-CB 3.04Å; K1776-A1789 PolarHBondContact O-N 2.93Å; A1789-G1791 PolarHBondContact O-N 2.95Å; A1789-T1792 PolarHBondContact N-OG1 3.06Å; A1789-T1792 WeakPolarHBondContact O-CB 3.47Å; A1789-T1792 WeakPolarHBondContact O-CG2 3.36Å; A1789-T1792 PolarHBondContact O-N 3.25Å; A1789-T1792 PolarHBondContact O-OG1 3.24Å |
| 1790 | N | 63.4 | Low | 72.1 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 61 | 46.3 | 147.4 | -61.9 | -11.3 | 0 | 0 | 0 | 115.3 | P695 N696 | P695-N1790 HydrophobicContact CB-CB 3.45Å; P695-N1790 VanDerWaalsContact CB-CB 3.45Å; P695-N1790 HydrophobicContact CG-CB 3.7Å; P695-N1790 PolarHBondContact O-ND2 3.23Å; N696-N1790 HydrophobicContact CB-CB 3.81Å; N696-N1790 WeakPolarHBondContact CB-ND2 3.27Å; N696-N1790 VanDerWaalsContact CG-CB 3.47Å; N696-N1790 VanDerWaalsContact CG-CG 3.46Å; N696-N1790 VanDerWaalsContact OD1-CB 3.26Å; N696-N1790 WeakPolarHBondContact OD1-CB 3.49Å |
| 1791 | G | 68.6 | Low | 72.1 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 88.6 | 25.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | A1789 C1812 | A1789-G1791 PolarHBondContact O-N 2.95Å; G1791-C1812 VanDerWaalsContact O-CB 3.3Å; G1791-C1812 WeakPolarHBondContact O-CB 2.98Å; G1791-C1812 PolarHBondContact O-SG 3.28Å |
| 1792 | T | 78.2 | Confident | 71.8 | Confident | 12 Ų | 12 | 65 Ų | 65 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | trans | -124.4 | 146.8 | -169.8 | 72.9 | 0 | 0 | 0 | 0 | 110.5 | P695 L1778 C1788 A1789 Q1800 C1812 | P695-T1792 HydrophobicContact CB-CG2 3.54Å; P695-T1792 HydrophobicContact CG-CG2 4.09Å; L1778-T1792 HydrophobicContact CB-CG2 3.96Å; L1778-T1792 HydrophobicContact CD1-CG2 3.45Å; L1778-T1792 VanDerWaalsContact CD1-CG2 3.45Å; L1778-T1792 HydrophobicContact CD2-CG2 4.08Å; L1778-T1792 HydrophobicContact CG-CG2 4.02Å; C1788-T1792 WeakPolarHBondContact CB-O 3.34Å; C1788-T1792 WeakPolarHBondContact CB-OG1 3.23Å; A1789-T1792 PolarHBondContact N-OG1 3.06Å; A1789-T1792 WeakPolarHBondContact O-CB 3.47Å; A1789-T1792 WeakPolarHBondContact O-CG2 3.36Å; A1789-T1792 PolarHBondContact O-N 3.25Å; A1789-T1792 PolarHBondContact O-OG1 3.24Å; T1792-Q1800 CarbonylContact C-O 3.57Å; T1792-Q1800 WeakPolarHBondContact CA-O 3.5Å; T1792-Q1800 WeakPolarHBondContact CB-O 3.44Å; T1792-C1812 VanDerWaalsContact CG2-SG 3.52Å | ||
| 1793 | E | 71.9 | Confident | 70.6 | Confident | 110 Ų | 110 | 71.8 Ų | 71.8 | 51% | 0.514 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151 | -169.8 | -64.1 | -175 | 153.5 | 0 | 0 | 111.2 | I1795 C1799 Q1800 | E1793-I1795 VanDerWaalsContact C-N 3.29Å; E1793-I1795 HydrophobicContact CB-CD1 4.43Å; E1793-I1795 HydrophobicContact CB-CG1 4.09Å; E1793-I1795 PolarHBondContact O-N 3.32Å; E1793-C1799 CarbonylContact O-C 3.59Å; E1793-C1799 WeakPolarHBondContact O-CA 3.42Å; E1793-Q1800 PolarHBondContact N-O 3.49Å; E1793-Q1800 PolarHBondContact O-N 2.66Å |
| 1794 | C | 81.2 | Confident | 69.9 | Low | 50 Ų | 50 | 65.9 Ų | 65.9 | 34% | 0.338 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 72.7 | -178.7 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | C1782 I1798 | C1782-C1794 VanDerWaalsContact C-SG 3.6Å; C1782-C1794 HydrophobicContact CB-CB 3.98Å; C1782-C1794 WeakPolarHBondContact CB-SG 2.98Å; C1782-C1794 WeakPolarHBondContact SG-CA 3.42Å; C1782-C1794 WeakPolarHBondContact SG-CB 3.37Å; C1782-C1794 CovalentContact SG-SG 2.03Å; C1782-C1794 PolarHBondContact SG-SG 3.45Å; C1794-I1798 CarbonylContact C-O 3.58Å; C1794-I1798 WeakPolarHBondContact CA-O 3.35Å |
| 1795 | I | 73.1 | Confident | 70.5 | Confident | 62 Ų | 62 | 63.8 Ų | 63.8 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.3 | -179.8 | -52.2 | 178.2 | 0 | 0 | 0 | 108.5 | E1793 G1797 I1798 Q1800 | E1793-I1795 VanDerWaalsContact C-N 3.29Å; E1793-I1795 HydrophobicContact CB-CD1 4.43Å; E1793-I1795 HydrophobicContact CB-CG1 4.09Å; E1793-I1795 PolarHBondContact O-N 3.32Å; I1795-G1797 PolarHBondContact O-N 3.36Å; I1795-I1798 PolarHBondContact N-O 2.9Å; I1795-I1798 PolarHBondContact O-N 3.16Å; I1795-Q1800 HydrophobicContact CB-CB 4.07Å; I1795-Q1800 HydrophobicContact CB-CG 4.35Å; I1795-Q1800 HydrophobicContact CD1-CB 4.17Å; I1795-Q1800 HydrophobicContact CG1-CB 4.32Å; I1795-Q1800 PolarHBondContact O-NE2 3.37Å |
| 1796 | D | 67.4 | Low | 70.7 | Confident | 153 Ų | 153 | 62.9 Ų | 62.9 | 82% | 0.818 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 39.7 | -176.9 | -60.1 | -35.7 | 0 | 0 | 0 | 114.6 | I1798 | D1796-I1798 VanDerWaalsContact C-N 3.25Å; D1796-I1798 PolarHBondContact O-N 2.89Å |
| 1797 | G | 73.4 | Confident | 70.5 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 16.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1781 C1782 I1795 | T1781-G1797 CarbonylContact C-O 3.49Å; T1781-G1797 VanDerWaalsContact CA-O 3.26Å; T1781-G1797 WeakPolarHBondContact CA-O 3.19Å; C1782-G1797 PolarHBondContact N-O 3.27Å; C1782-G1797 CarbonylContact O-C 3.55Å; C1782-G1797 VanDerWaalsContact O-CA 3.31Å; C1782-G1797 WeakPolarHBondContact O-CA 2.97Å; I1795-G1797 PolarHBondContact O-N 3.36Å |
| 1798 | I | 75.5 | Confident | 70.2 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 28% | 0.277 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 140 | 172.9 | -56.3 | 177.8 | 0 | 0 | 0 | 108.7 | W1779 S1780 T1781 C1782 C1794 I1795 D1796 Q1800 | W1779-I1798 HydrophobicContact CE3-CG2 4.2Å; S1780-I1798 WeakPolarHBondContact O-CA 3.43Å; T1781-I1798 HydrophobicContact CG2-CG1 4.49Å; C1782-I1798 PolarHBondContact SG-N 2.92Å; C1782-I1798 VanDerWaalsContact SG-N 3.37Å; C1794-I1798 CarbonylContact C-O 3.58Å; C1794-I1798 WeakPolarHBondContact CA-O 3.35Å; I1795-I1798 PolarHBondContact N-O 2.9Å; I1795-I1798 PolarHBondContact O-N 3.16Å; D1796-I1798 VanDerWaalsContact C-N 3.25Å; D1796-I1798 PolarHBondContact O-N 2.89Å; I1798-Q1800 HydrophobicContact CB-CG 3.96Å; I1798-Q1800 HydrophobicContact CG2-CG 3.9Å; I1798-Q1800 PolarHBondContact O-N 2.87Å; I1798-Q1800 VanDerWaalsContact O-N 3.17Å |
| 1799 | C | 80.5 | Confident | 69.2 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 112.4 | 167 | -61.7 | 0 | 0 | 0 | 0 | 108.7 | P1777 L1778 W1779 S1780 C1788 E1793 | P1777-C1799 WeakPolarHBondContact O-CB 3.5Å; L1778-C1799 CarbonylContact C-O 3.57Å; L1778-C1799 WeakPolarHBondContact CA-O 3.04Å; L1778-C1799 WeakPolarHBondContact CD1-O 3.46Å; W1779-C1799 PolarHBondContact N-O 3.1Å; S1780-C1799 PolarHBondContact O-N 3.08Å; C1788-C1799 VanDerWaalsContact CA-SG 3.55Å; C1788-C1799 HydrophobicContact CB-CB 3.65Å; C1788-C1799 WeakPolarHBondContact CB-SG 3.4Å; C1788-C1799 WeakPolarHBondContact SG-CA 3.45Å; C1788-C1799 WeakPolarHBondContact SG-CB 3.46Å; C1788-C1799 CovalentContact SG-SG 2.04Å; C1788-C1799 PolarHBondContact SG-SG 3.1Å; E1793-C1799 CarbonylContact O-C 3.59Å; E1793-C1799 WeakPolarHBondContact O-CA 3.42Å |
| 1800 | Q | 82.9 | Confident | 68.1 | Low | 49 Ų | 49 | 64.2 Ų | 64.2 | 23% | 0.229 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 162.1 | -174.6 | -62.7 | -161 | 75.8 | 0 | 0 | 111.8 | T1792 E1793 I1795 I1798 | T1792-Q1800 CarbonylContact C-O 3.57Å; T1792-Q1800 WeakPolarHBondContact CA-O 3.5Å; T1792-Q1800 WeakPolarHBondContact CB-O 3.44Å; E1793-Q1800 PolarHBondContact N-O 3.49Å; E1793-Q1800 PolarHBondContact O-N 2.66Å; I1795-Q1800 HydrophobicContact CB-CB 4.07Å; I1795-Q1800 HydrophobicContact CB-CG 4.35Å; I1795-Q1800 HydrophobicContact CD1-CB 4.17Å; I1795-Q1800 HydrophobicContact CG1-CB 4.32Å; I1795-Q1800 PolarHBondContact O-NE2 3.37Å; I1798-Q1800 HydrophobicContact CB-CG 3.96Å; I1798-Q1800 HydrophobicContact CG2-CG 3.9Å; I1798-Q1800 PolarHBondContact O-N 2.87Å; I1798-Q1800 VanDerWaalsContact O-N 3.17Å |
| 1801 | C | 77.5 | Confident | 67.8 | Low | 30 Ų | 30 | 61.2 Ų | 61.2 | 20% | 0.203 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 137.3 | 170 | -77.5 | 0 | 0 | 0 | 0 | 110.3 | C1812 | C1801-C1812 WeakPolarHBondContact CA-SG 3.05Å; C1801-C1812 HydrophobicContact CB-CB 4.04Å; C1801-C1812 WeakPolarHBondContact CB-SG 3.31Å; C1801-C1812 VanDerWaalsContact SG-CA 3.57Å; C1801-C1812 WeakPolarHBondContact SG-CB 3.38Å; C1801-C1812 CovalentContact SG-SG 2.04Å; C1801-C1812 PolarHBondContact SG-SG 2.85Å |
| 1802 | P | 71.6 | Confident | 67.3 | Low | 27 Ų | 27 | 59.2 Ų | 59.2 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 154.8 | 172.9 | 27.7 | -33.8 | 0 | 0 | 0 | 111.9 | G1804 Y1805 | P1802-G1804 PolarHBondContact O-N 2.75Å; P1802-Y1805 HydrophobicContact CG-CD2 3.94Å; P1802-Y1805 HydrophobicContact CG-CE2 4.35Å; P1802-Y1805 HydrophobicContact CG-CG 4.34Å; P1802-Y1805 PolarHBondContact O-N 3.27Å |
| 1803 | V | 58.5 | Low | 66.1 | Low | 153 Ų | 153 | 64.6 Ų | 64.6 | 93% | 0.927 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 128.5 | -176.5 | -180 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1804 | G | 53 | Low | 65.1 | Low | 40 Ų | 40 | 63.7 Ų | 63.7 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.5 | -15.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1802 | P1802-G1804 PolarHBondContact O-N 2.75Š|
| 1805 | Y | 69.3 | Low | 63.2 | Low | 94 Ų | 94 | 65.9 Ų | 65.9 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 156.6 | 177.7 | -64 | -113.3 | 0 | 0 | 0 | 111.2 | P1802 C1812 R1813 L1814 | P1802-Y1805 HydrophobicContact CG-CD2 3.94Å; P1802-Y1805 HydrophobicContact CG-CE2 4.35Å; P1802-Y1805 HydrophobicContact CG-CG 4.34Å; P1802-Y1805 PolarHBondContact O-N 3.27Å; Y1805-C1812 HydrophobicContact CD1-CB 4.13Å; Y1805-C1812 WeakPolarHBondContact CD1-O 3.41Å; Y1805-C1812 HydrophobicContact CG-CB 4.35Å; Y1805-R1813 WeakPolarHBondContact CA-O 3.28Å; Y1805-L1814 HydrophobicContact CD1-CG 4.12Å; Y1805-L1814 HydrophobicContact CE1-CB 4.49Å; Y1805-L1814 HydrophobicContact CE1-CD1 4.17Å; Y1805-L1814 HydrophobicContact CE1-CG 3.67Å; Y1805-L1814 HydrophobicContact CE2-CD2 4.12Å; Y1805-L1814 HydrophobicContact CE2-CG 4.13Å |
| 1806 | I | 62.6 | Low | 61.9 | Low | 74 Ų | 74 | 71 Ų | 71 | 38% | 0.379 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.4 | 171.4 | 49.7 | 160.8 | 0 | 0 | 0 | 111.5 | V1808 C1812 R1813 | I1806-V1808 HydrophobicContact CD1-CG2 3.58Å; I1806-V1808 HydrophobicContact CG1-CG2 3.76Å; I1806-V1808 PolarHBondContact O-N 3.39Å; I1806-V1808 VanDerWaalsContact O-N 3.1Å; I1806-C1812 WeakPolarHBondContact O-CA 3.48Å; I1806-R1813 PolarHBondContact N-O 3.49Å; I1806-R1813 PolarHBondContact O-N 2.79Å |
| 1807 | A | 62.7 | Low | 61.1 | Low | 42 Ų | 42 | 66.1 Ų | 66.1 | 35% | 0.347 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 79 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M693 L1778 T1811 | M693-A1807 HydrophobicContact SD-CB 4Å; L1778-A1807 HydrophobicContact CD2-CB 3.73Å; A1807-T1811 CarbonylContact C-O 3.22Å; A1807-T1811 WeakPolarHBondContact CA-O 3.14Å |
| 1808 | V | 58.9 | Low | 61 | Low | 69 Ų | 69 | 65.6 Ų | 65.6 | 42% | 0.418 | 35% | 0.351 | S | S | . | . | trans | -96.3 | 117.9 | -173 | 175.5 | 0 | 0 | 0 | 0 | 112.5 | I1806 L1810 T1811 | I1806-V1808 HydrophobicContact CD1-CG2 3.58Å; I1806-V1808 HydrophobicContact CG1-CG2 3.76Å; I1806-V1808 PolarHBondContact O-N 3.39Å; I1806-V1808 VanDerWaalsContact O-N 3.1Å; V1808-L1810 CarbonylContact O-C 3.58Å; V1808-L1810 PolarHBondContact O-N 2.99Å; V1808-T1811 PolarHBondContact N-O 2.85Å; V1808-T1811 PolarHBondContact O-N 2.7Å; V1808-T1811 VanDerWaalsContact O-N 3.1Å; V1808-T1811 PolarHBondContact O-OG1 3.23Å | ||
| 1809 | N | 49.8 | Very low | 60.9 | Low | 107 Ų | 107 | 64.9 Ų | 64.9 | 57% | 0.572 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 50.7 | 39.8 | 175.8 | -146.3 | 62.3 | 0 | 0 | 0 | 114.5 | I698 | I698-N1809 PolarHBondContact O-ND2 2.92Š|
| 1810 | L | 49.9 | Very low | 60.4 | Low | 68 Ų | 68 | 64.9 Ų | 64.9 | 36% | 0.356 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 61.8 | 104.3 | -148.6 | -22.1 | 142.4 | 0 | 0 | 0 | 110 | C694 N696 E697 V1808 | C694-L1810 HydrophobicContact CB-CB 4.27Å; C694-L1810 HydrophobicContact CB-CD2 4.3Å; N696-L1810 CarbonylContact C-O 3.53Å; N696-L1810 WeakPolarHBondContact CA-O 3.42Å; N696-L1810 PolarHBondContact N-O 3.2Å; N696-L1810 WeakPolarHBondContact O-CD1 3.27Å; E697-L1810 PolarHBondContact N-O 3.47Å; V1808-L1810 CarbonylContact O-C 3.58Å; V1808-L1810 PolarHBondContact O-N 2.99Å |
| 1811 | T | 56.7 | Low | 59.9 | Low | 10 Ų | 10 | 63.8 Ų | 63.8 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 165.4 | 137.9 | 155.9 | -41.1 | 0 | 0 | 0 | 0 | 107.4 | C694 N696 E697 A1807 V1808 R1813 | C694-T1811 PolarHBondContact O-N 3.24Å; N696-T1811 VanDerWaalsContact N-CA 3.3Å; E697-T1811 PolarHBondContact N-OG1 2.65Å; A1807-T1811 CarbonylContact C-O 3.22Å; A1807-T1811 WeakPolarHBondContact CA-O 3.14Å; V1808-T1811 PolarHBondContact N-O 2.85Å; V1808-T1811 PolarHBondContact O-N 2.7Å; V1808-T1811 VanDerWaalsContact O-N 3.1Å; V1808-T1811 PolarHBondContact O-OG1 3.23Å; T1811-R1813 HydrophobicContact CG2-CG 3.66Å; T1811-R1813 PolarHBondContact O-N 2.88Å |
| 1812 | C | 58.2 | Low | 59.8 | Low | 10 Ų | 10 | 66 Ų | 66 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 105 | 155.9 | -59 | 0 | 0 | 0 | 0 | 109.2 | G1791 T1792 C1801 Y1805 I1806 | G1791-C1812 VanDerWaalsContact O-CB 3.3Å; G1791-C1812 WeakPolarHBondContact O-CB 2.98Å; G1791-C1812 PolarHBondContact O-SG 3.28Å; T1792-C1812 VanDerWaalsContact CG2-SG 3.52Å; C1801-C1812 WeakPolarHBondContact CA-SG 3.05Å; C1801-C1812 HydrophobicContact CB-CB 4.04Å; C1801-C1812 WeakPolarHBondContact CB-SG 3.31Å; C1801-C1812 VanDerWaalsContact SG-CA 3.57Å; C1801-C1812 WeakPolarHBondContact SG-CB 3.38Å; C1801-C1812 CovalentContact SG-SG 2.04Å; C1801-C1812 PolarHBondContact SG-SG 2.85Å; Y1805-C1812 HydrophobicContact CD1-CB 4.13Å; Y1805-C1812 WeakPolarHBondContact CD1-O 3.41Å; Y1805-C1812 HydrophobicContact CG-CB 4.35Å; I1806-C1812 WeakPolarHBondContact O-CA 3.48Å |
| 1813 | R | 53.6 | Low | 59.8 | Low | 125 Ų | 125 | 72.3 Ų | 72.3 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 144.6 | 172.5 | -77.7 | -177.3 | -176.8 | -126.6 | -6.3 | 111.7 | E697 Y1805 I1806 T1811 | E697-R1813 IonicContact OE1-NH2 3.88Å; E697-R1813 PolarHBondContact OE1-NH2 3.21Å; Y1805-R1813 WeakPolarHBondContact CA-O 3.28Å; I1806-R1813 PolarHBondContact N-O 3.49Å; I1806-R1813 PolarHBondContact O-N 2.79Å; T1811-R1813 HydrophobicContact CG2-CG 3.66Å; T1811-R1813 PolarHBondContact O-N 2.88Å |
| 1814 | L | 49.9 | Very low | 60.5 | Low | 91 Ų | 91 | 65.6 Ų | 65.6 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 141.4 | 170.9 | -89.7 | 159.2 | 0 | 0 | 0 | 110.5 | Y1805 F1816 | Y1805-L1814 HydrophobicContact CD1-CG 4.12Å; Y1805-L1814 HydrophobicContact CE1-CB 4.49Å; Y1805-L1814 HydrophobicContact CE1-CD1 4.17Å; Y1805-L1814 HydrophobicContact CE1-CG 3.67Å; Y1805-L1814 HydrophobicContact CE2-CD2 4.12Å; Y1805-L1814 HydrophobicContact CE2-CG 4.13Å; L1814-F1816 HydrophobicContact CB-CD2 4.14Å; L1814-F1816 HydrophobicContact CB-CE2 3.99Å; L1814-F1816 PolarHBondContact O-N 3.07Å |
| 1815 | K | 42.8 | Very low | 61.1 | Low | 96 Ų | 96 | 65.7 Ų | 65.7 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | trans | -63 | 116.5 | 169.7 | -66.6 | 169.5 | 168.3 | -165.2 | 0 | 110.1 | A1827 | K1815-A1827 VanDerWaalsContact CD-O 3.24Å; K1815-A1827 WeakPolarHBondContact CD-O 3.48Å; K1815-A1827 WeakPolarHBondContact CE-O 3.34Å; K1815-A1827 PolarHBondContact NZ-O 2.72Å | ||
| 1816 | F | 46 | Very low | 60.3 | Low | 168 Ų | 168 | 68 Ų | 68 | 74% | 0.737 | 37% | 0.367 | S | S | * | . | trans | -116 | 168.9 | 169.5 | -89.6 | -83.3 | 0 | 0 | 0 | 111.3 | L1814 | L1814-F1816 HydrophobicContact CB-CD2 4.14Å; L1814-F1816 HydrophobicContact CB-CE2 3.99Å; L1814-F1816 PolarHBondContact O-N 3.07Å | ||
| 1817 | S | 49.5 | Very low | 59.8 | Low | 52 Ų | 52 | 66.7 Ų | 66.7 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 133.6 | -154.5 | -165.4 | 0 | 0 | 0 | 0 | 114.6 | L1829 C1830 S1831 | S1817-L1829 CarbonylContact C-O 3.5Å; S1817-L1829 WeakPolarHBondContact CA-O 3.5Å; S1817-L1829 PolarHBondContact OG-O 2.8Å; S1817-C1830 VanDerWaalsContact OG-C 3.25Å; S1817-S1831 WeakPolarHBondContact CB-OG 3.46Å; S1817-S1831 PolarHBondContact O-OG 3.06Å; S1817-S1831 VanDerWaalsContact OG-CA 3.24Å; S1817-S1831 WeakPolarHBondContact OG-CA 3.24Å; S1817-S1831 WeakPolarHBondContact OG-CB 3.32Å; S1817-S1831 PolarHBondContact OG-N 3Å; S1817-S1831 VanDerWaalsContact OG-N 3.1Å; S1817-S1831 PolarHBondContact OG-OG 2.04Å |
| 1818 | V | 71 | Confident | 59.6 | Low | 18 Ų | 18 | 68 Ų | 68 | 11% | 0.109 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -92.6 | 127.4 | -176.3 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | E1822 Q1823 C1824 E1828 L1829 C1830 S1831 C1841 | V1818-E1822 HydrophobicContact CG1-CB 4.03Å; V1818-Q1823 WeakPolarHBondContact CG1-O 3.09Å; V1818-C1824 HydrophobicContact CG1-CB 4.34Å; V1818-E1828 HydrophobicContact CG2-CB 3.95Å; V1818-E1828 HydrophobicContact CG2-CG 4.3Å; V1818-L1829 PolarHBondContact N-O 3.35Å; V1818-C1830 CarbonylContact O-C 3.54Å; V1818-C1830 WeakPolarHBondContact O-CA 3.02Å; V1818-S1831 VanDerWaalsContact C-OG 3.32Å; V1818-S1831 PolarHBondContact N-OG 3.01Å; V1818-S1831 PolarHBondContact O-N 3.11Å; V1818-S1831 PolarHBondContact O-OG 2.03Å; V1818-C1841 PolarHBondContact O-SG 2.97Å; V1818-C1841 VanDerWaalsContact O-SG 3.34Å |
| 1819 | P | 74.6 | Confident | 59.6 | Low | 39 Ų | 39 | 70.9 Ų | 70.9 | 25% | 0.253 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 152.9 | -175.9 | -24.1 | 34.9 | 0 | 0 | 0 | 116.3 | G1821 E1822 C1841 K1852 | P1819-G1821 PolarHBondContact O-N 2.8Å; P1819-E1822 PolarHBondContact O-N 3.16Å; P1819-C1841 WeakPolarHBondContact O-CB 3.46Å; P1819-K1852 HydrophobicContact CB-CD 4.44Å |
| 1820 | P | 70.1 | Confident | 60.5 | Low | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 129.5 | 167.1 | -21.5 | 26.7 | 0 | 0 | 0 | 112.3 | S1831 D1832 S1834 C1841 H1849 K1852 | P1820-S1831 WeakPolarHBondContact CD-O 3.15Å; P1820-S1831 WeakPolarHBondContact CG-O 3.34Å; P1820-D1832 HydrophobicContact CG-CB 4.21Å; P1820-S1834 WeakPolarHBondContact CG-OG 3.25Å; P1820-C1841 CarbonylContact C-O 2.99Å; P1820-C1841 WeakPolarHBondContact CA-O 3.31Å; P1820-H1849 PolarHBondContact O-NE2 3.08Å; P1820-K1852 VanDerWaalsContact CD-O 3.26Å; P1820-K1852 WeakPolarHBondContact CD-O 3.27Å; P1820-K1852 VanDerWaalsContact CG-O 3.24Å; P1820-K1852 WeakPolarHBondContact CG-O 3.28Å |
| 1821 | G | 72 | Confident | 61.3 | Low | 27 Ų | 27 | 64.6 Ų | 64.6 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | -16.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | P1819 K1840 C1841 | P1819-G1821 PolarHBondContact O-N 2.8Å; G1821-K1840 WeakPolarHBondContact O-CD 3.37Å; G1821-K1840 WeakPolarHBondContact O-CE 3.1Å; G1821-K1840 PolarHBondContact O-NZ 2.83Å; G1821-C1841 PolarHBondContact N-O 3.32Å |
| 1822 | E | 75.6 | Confident | 61.5 | Low | 75 Ų | 75 | 67.9 Ų | 67.9 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -93.2 | 163.2 | -178.2 | -74 | 173.5 | -153.8 | 0 | 0 | 112.9 | V1818 P1819 K1840 C1841 K1852 | V1818-E1822 HydrophobicContact CG1-CB 4.03Å; P1819-E1822 PolarHBondContact O-N 3.16Å; E1822-K1840 CarbonylContact O-C 3.57Å; E1822-K1840 WeakPolarHBondContact O-CA 3.36Å; E1822-C1841 PolarHBondContact O-N 2.7Å; E1822-K1852 WeakPolarHBondContact OE1-CE 3.45Å; E1822-K1852 IonicContact OE1-NZ 2.62Å; E1822-K1852 PolarHBondContact OE1-NZ 3.25Å |
| 1823 | Q | 70.9 | Confident | 61.6 | Low | 160 Ų | 160 | 70 Ų | 70 | 75% | 0.748 | 39% | 0.389 | S | S | * | . | B | Isolated β-bridge | trans | -74.1 | 141.8 | 179.4 | -77.3 | 177.2 | -34.9 | 0 | 0 | 111.2 | V1818 G1839 K1840 | V1818-Q1823 WeakPolarHBondContact CG1-O 3.09Å; Q1823-G1839 CarbonylContact C-O 3.48Å; Q1823-G1839 VanDerWaalsContact CA-O 3.25Å; Q1823-G1839 WeakPolarHBondContact CA-O 2.99Å; Q1823-K1840 HydrophobicContact CG-CG 4.07Å |
| 1824 | C | 74 | Confident | 62.7 | Low | 12 Ų | 12 | 64.4 Ų | 64.4 | 8% | 0.081 | 37% | 0.369 | C | S | . | . | trans | -139.6 | 150.3 | 180 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | V1818 C1836 G1839 K1840 C1841 | V1818-C1824 HydrophobicContact CG1-CB 4.34Å; C1824-C1836 HydrophobicContact CB-CB 4.06Å; C1824-C1836 WeakPolarHBondContact CB-SG 3.43Å; C1824-C1836 WeakPolarHBondContact SG-CA 3.04Å; C1824-C1836 WeakPolarHBondContact SG-CB 3.32Å; C1824-C1836 CovalentContact SG-SG 2.04Å; C1824-C1836 PolarHBondContact SG-SG 3.29Å; C1824-G1839 PolarHBondContact N-O 2.99Å; C1824-G1839 CarbonylContact O-C 3.59Å; C1824-G1839 WeakPolarHBondContact O-CA 3.22Å; C1824-G1839 VanDerWaalsContact SG-C 3.6Å; C1824-K1840 VanDerWaalsContact SG-CA 3.58Å; C1824-C1841 PolarHBondContact SG-N 2.95Å; C1824-C1841 VanDerWaalsContact SG-N 3.37Å | ||
| 1825 | S | 64.8 | Low | 63.7 | Low | 43 Ų | 43 | 65.2 Ų | 65.2 | 30% | 0.301 | 37% | 0.371 | S | S | . | . | trans | -91.5 | 162.3 | 165.1 | 67.8 | 0 | 0 | 0 | 0 | 110.6 | A1827 E1828 C1836 | S1825-A1827 PolarHBondContact O-N 3.19Å; S1825-A1827 PolarHBondContact OG-N 2.81Å; S1825-E1828 VanDerWaalsContact CB-OE2 3.26Å; S1825-E1828 WeakPolarHBondContact CB-OE2 3.4Å; S1825-E1828 PolarHBondContact N-OE2 2.91Å; S1825-E1828 PolarHBondContact O-N 3.23Å; S1825-E1828 VanDerWaalsContact O-N 3.09Å; S1825-E1828 PolarHBondContact OG-OE2 3.32Å; S1825-C1836 PolarHBondContact O-SG 2.03Å | ||
| 1826 | P | 52.7 | Low | 65.3 | Low | 142 Ų | 142 | 62.9 Ų | 62.9 | 92% | 0.922 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -5.8 | 171.3 | -23 | 34.4 | 0 | 0 | 0 | 114.6 | ||
| 1827 | A | 52.2 | Low | 66.5 | Low | 46 Ų | 46 | 58.2 Ų | 58.2 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -16 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1815 S1825 | K1815-A1827 VanDerWaalsContact CD-O 3.24Å; K1815-A1827 WeakPolarHBondContact CD-O 3.48Å; K1815-A1827 WeakPolarHBondContact CE-O 3.34Å; K1815-A1827 PolarHBondContact NZ-O 2.72Å; S1825-A1827 PolarHBondContact O-N 3.19Å; S1825-A1827 PolarHBondContact OG-N 2.81Å |
| 1828 | E | 59.3 | Low | 67.2 | Low | 70 Ų | 70 | 67.7 Ų | 67.7 | 33% | 0.327 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -99 | 146.7 | -172.5 | -74.3 | 155.2 | 131.2 | 0 | 0 | 112.6 | V1818 S1825 | V1818-E1828 HydrophobicContact CG2-CB 3.95Å; V1818-E1828 HydrophobicContact CG2-CG 4.3Å; S1825-E1828 VanDerWaalsContact CB-OE2 3.26Å; S1825-E1828 WeakPolarHBondContact CB-OE2 3.4Å; S1825-E1828 PolarHBondContact N-OE2 2.91Å; S1825-E1828 PolarHBondContact O-N 3.23Å; S1825-E1828 VanDerWaalsContact O-N 3.09Å; S1825-E1828 PolarHBondContact OG-OE2 3.32Å |
| 1829 | L | 58 | Low | 67.1 | Low | 129 Ų | 129 | 68.3 Ų | 68.3 | 68% | 0.675 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 143.5 | 175 | -144.1 | 77 | 0 | 0 | 0 | 109.5 | S1817 V1818 | S1817-L1829 CarbonylContact C-O 3.5Å; S1817-L1829 WeakPolarHBondContact CA-O 3.5Å; S1817-L1829 PolarHBondContact OG-O 2.8Å; V1818-L1829 PolarHBondContact N-O 3.35Å |
| 1830 | C | 67.8 | Low | 67.1 | Low | 21 Ų | 21 | 71.2 Ų | 71.2 | 14% | 0.142 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -102.3 | 139.1 | 180 | -72 | 0 | 0 | 0 | 0 | 112.1 | S1817 V1818 S1834 Q1835 C1836 C1841 | S1817-C1830 VanDerWaalsContact OG-C 3.25Å; V1818-C1830 CarbonylContact O-C 3.54Å; V1818-C1830 WeakPolarHBondContact O-CA 3.02Å; C1830-S1834 WeakPolarHBondContact CB-O 3.39Å; C1830-S1834 WeakPolarHBondContact CB-OG 3.34Å; C1830-Q1835 VanDerWaalsContact SG-C 3.56Å; C1830-C1836 PolarHBondContact SG-N 2.97Å; C1830-C1841 HydrophobicContact CB-CB 3.76Å; C1830-C1841 WeakPolarHBondContact CB-SG 3.23Å; C1830-C1841 VanDerWaalsContact SG-CA 3.52Å; C1830-C1841 WeakPolarHBondContact SG-CB 3.46Å; C1830-C1841 CovalentContact SG-SG 2.04Å; C1830-C1841 PolarHBondContact SG-SG 2.95Å |
| 1831 | S | 67.4 | Low | 67.4 | Low | 23 Ų | 23 | 71.2 Ų | 71.2 | 16% | 0.161 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -83.4 | 164.2 | -173.2 | -47.2 | 0 | 0 | 0 | 0 | 113.1 | S1817 V1818 P1820 G1833 S1834 | S1817-S1831 WeakPolarHBondContact CB-OG 3.46Å; S1817-S1831 PolarHBondContact O-OG 3.06Å; S1817-S1831 VanDerWaalsContact OG-CA 3.24Å; S1817-S1831 WeakPolarHBondContact OG-CA 3.24Å; S1817-S1831 WeakPolarHBondContact OG-CB 3.32Å; S1817-S1831 PolarHBondContact OG-N 3Å; S1817-S1831 VanDerWaalsContact OG-N 3.1Å; S1817-S1831 PolarHBondContact OG-OG 2.04Å; V1818-S1831 VanDerWaalsContact C-OG 3.32Å; V1818-S1831 PolarHBondContact N-OG 3.01Å; V1818-S1831 PolarHBondContact O-N 3.11Å; V1818-S1831 PolarHBondContact O-OG 2.03Å; P1820-S1831 WeakPolarHBondContact CD-O 3.15Å; P1820-S1831 WeakPolarHBondContact CG-O 3.34Å; S1831-G1833 PolarHBondContact O-N 2.79Å; S1831-S1834 PolarHBondContact O-N 3.32Å; S1831-S1834 PolarHBondContact O-OG 2.77Å |
| 1832 | D | 60.5 | Low | 67.7 | Low | 78 Ų | 78 | 74.5 Ų | 74.5 | 42% | 0.417 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 38.5 | 167.6 | -71.9 | -44.1 | 0 | 0 | 0 | 114.3 | P1820 R1853 C1854 | P1820-D1832 HydrophobicContact CG-CB 4.21Å; D1832-R1853 HydrophobicContact CB-CG 4.03Å; D1832-R1853 IonicContact OD1-CZ 2.77Å; D1832-R1853 IonicContact OD1-NE 3.37Å; D1832-R1853 PolarHBondContact OD1-NE 3.15Å; D1832-R1853 IonicContact OD1-NH2 2.68Å; D1832-R1853 PolarHBondContact OD1-NH2 3.23Å; D1832-R1853 WeakPolarHBondContact OD2-CG 3.37Å; D1832-R1853 IonicContact OD2-CZ 3.18Å; D1832-R1853 IonicContact OD2-NE 3.22Å; D1832-R1853 PolarHBondContact OD2-NE 2.93Å; D1832-R1853 IonicContact OD2-NH2 3.46Å; D1832-R1853 PolarHBondContact OD2-NH2 2.64Å; D1832-C1854 WeakPolarHBondContact O-CB 3.19Å |
| 1833 | G | 61.1 | Low | 67.7 | Low | 54 Ų | 54 | 72.2 Ų | 72.2 | 56% | 0.557 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 0.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S1831 P1844 | S1831-G1833 PolarHBondContact O-N 2.79Å; G1833-P1844 WeakPolarHBondContact O-CD 3.46Å; G1833-P1844 WeakPolarHBondContact O-CG 3.49Å |
| 1834 | S | 75.6 | Confident | 67.5 | Low | 9 Ų | 9 | 66.1 Ų | 66.1 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | trans | -75.1 | 164.9 | 174.6 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | P1820 C1830 S1831 M1842 | P1820-S1834 WeakPolarHBondContact CG-OG 3.25Å; C1830-S1834 WeakPolarHBondContact CB-O 3.39Å; C1830-S1834 WeakPolarHBondContact CB-OG 3.34Å; S1831-S1834 PolarHBondContact O-N 3.32Å; S1831-S1834 PolarHBondContact O-OG 2.77Å; S1834-M1842 CarbonylContact C-O 3.54Å; S1834-M1842 VanDerWaalsContact CA-O 3.22Å; S1834-M1842 WeakPolarHBondContact CA-O 3.14Å; S1834-M1842 VanDerWaalsContact CB-O 3.24Å; S1834-M1842 WeakPolarHBondContact CB-O 3.33Å | ||
| 1835 | Q | 71.2 | Confident | 66.5 | Low | 108 Ų | 108 | 73.5 Ų | 73.5 | 51% | 0.505 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.2 | -176.8 | -59.9 | -178.5 | 3.1 | 0 | 0 | 110.6 | C1830 I1837 C1841 M1842 | C1830-Q1835 VanDerWaalsContact SG-C 3.56Å; Q1835-I1837 HydrophobicContact CB-CD1 4.23Å; Q1835-I1837 HydrophobicContact CB-CG1 4.22Å; Q1835-I1837 PolarHBondContact O-N 2.79Å; Q1835-C1841 CarbonylContact O-C 3.59Å; Q1835-C1841 WeakPolarHBondContact O-CA 3.1Å; Q1835-M1842 PolarHBondContact N-O 2.78Å; Q1835-M1842 PolarHBondContact O-N 3.39Å |
| 1836 | C | 76.5 | Confident | 66.1 | Low | 47 Ų | 47 | 73.7 Ų | 73.7 | 32% | 0.318 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 92.6 | -177.2 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | C1824 S1825 C1830 | C1824-C1836 HydrophobicContact CB-CB 4.06Å; C1824-C1836 WeakPolarHBondContact CB-SG 3.43Å; C1824-C1836 WeakPolarHBondContact SG-CA 3.04Å; C1824-C1836 WeakPolarHBondContact SG-CB 3.32Å; C1824-C1836 CovalentContact SG-SG 2.04Å; C1824-C1836 PolarHBondContact SG-SG 3.29Å; S1825-C1836 PolarHBondContact O-SG 2.03Å; C1830-C1836 PolarHBondContact SG-N 2.97Å |
| 1837 | I | 71 | Confident | 66.7 | Low | 69 Ų | 69 | 71 Ų | 71 | 35% | 0.354 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121 | -174.9 | -64.1 | 174.6 | 0 | 0 | 0 | 108.6 | Q1835 G1839 K1840 M1842 | Q1835-I1837 HydrophobicContact CB-CD1 4.23Å; Q1835-I1837 HydrophobicContact CB-CG1 4.22Å; Q1835-I1837 PolarHBondContact O-N 2.79Å; I1837-G1839 PolarHBondContact O-N 3.09Å; I1837-G1839 VanDerWaalsContact O-N 3.11Å; I1837-K1840 PolarHBondContact N-O 3.1Å; I1837-K1840 PolarHBondContact O-N 3.1Å; I1837-M1842 HydrophobicContact CB-CB 4.32Å; I1837-M1842 HydrophobicContact CB-CG 4.38Å; I1837-M1842 HydrophobicContact CB-SD 4.17Å; I1837-M1842 HydrophobicContact CD1-CB 4.36Å; I1837-M1842 HydrophobicContact CG2-SD 4.1Å |
| 1838 | R | 66 | Low | 67.2 | Low | 252 Ų | 252 | 73.3 Ų | 73.3 | 95% | 0.951 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 32.8 | -178.2 | -59.4 | -179.3 | -179 | 162.7 | 1.7 | 114.1 | ||
| 1839 | G | 68.2 | Low | 67.2 | Low | 31 Ų | 31 | 74.6 Ų | 74.6 | 32% | 0.32 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 17.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1823 C1824 I1837 | Q1823-G1839 CarbonylContact C-O 3.48Å; Q1823-G1839 VanDerWaalsContact CA-O 3.25Å; Q1823-G1839 WeakPolarHBondContact CA-O 2.99Å; C1824-G1839 PolarHBondContact N-O 2.99Å; C1824-G1839 CarbonylContact O-C 3.59Å; C1824-G1839 WeakPolarHBondContact O-CA 3.22Å; C1824-G1839 VanDerWaalsContact SG-C 3.6Å; I1837-G1839 PolarHBondContact O-N 3.09Å; I1837-G1839 VanDerWaalsContact O-N 3.11Å |
| 1840 | K | 73.9 | Confident | 67.3 | Low | 99 Ų | 99 | 71.7 Ų | 71.7 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 144.2 | 163.1 | -84.2 | -160.8 | 166.1 | -154.2 | 0 | 111.7 | G1821 E1822 Q1823 C1824 I1837 M1842 | G1821-K1840 WeakPolarHBondContact O-CD 3.37Å; G1821-K1840 WeakPolarHBondContact O-CE 3.1Å; G1821-K1840 PolarHBondContact O-NZ 2.83Å; E1822-K1840 CarbonylContact O-C 3.57Å; E1822-K1840 WeakPolarHBondContact O-CA 3.36Å; Q1823-K1840 HydrophobicContact CG-CG 4.07Å; C1824-K1840 VanDerWaalsContact SG-CA 3.58Å; I1837-K1840 PolarHBondContact N-O 3.1Å; I1837-K1840 PolarHBondContact O-N 3.1Å; K1840-M1842 HydrophobicContact CB-CG 4.26Å; K1840-M1842 PolarHBondContact O-N 3.15Å; K1840-M1842 VanDerWaalsContact O-N 3.16Å |
| 1841 | C | 76.2 | Confident | 66.8 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 107.9 | 168.9 | -70.6 | 0 | 0 | 0 | 0 | 108.8 | V1818 P1819 P1820 G1821 E1822 C1824 C1830 Q1835 | V1818-C1841 PolarHBondContact O-SG 2.97Å; V1818-C1841 VanDerWaalsContact O-SG 3.34Å; P1819-C1841 WeakPolarHBondContact O-CB 3.46Å; P1820-C1841 CarbonylContact C-O 2.99Å; P1820-C1841 WeakPolarHBondContact CA-O 3.31Å; G1821-C1841 PolarHBondContact N-O 3.32Å; E1822-C1841 PolarHBondContact O-N 2.7Å; C1824-C1841 PolarHBondContact SG-N 2.95Å; C1824-C1841 VanDerWaalsContact SG-N 3.37Å; C1830-C1841 HydrophobicContact CB-CB 3.76Å; C1830-C1841 WeakPolarHBondContact CB-SG 3.23Å; C1830-C1841 VanDerWaalsContact SG-CA 3.52Å; C1830-C1841 WeakPolarHBondContact SG-CB 3.46Å; C1830-C1841 CovalentContact SG-SG 2.04Å; C1830-C1841 PolarHBondContact SG-SG 2.95Å; Q1835-C1841 CarbonylContact O-C 3.59Å; Q1835-C1841 WeakPolarHBondContact O-CA 3.1Å |
| 1842 | M | 78.6 | Confident | 66.2 | Low | 96 Ų | 96 | 82.2 Ų | 82.2 | 47% | 0.473 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 147 | -178 | -66 | -174.9 | 65.8 | 0 | 0 | 110.9 | S1834 Q1835 I1837 K1840 | S1834-M1842 CarbonylContact C-O 3.54Å; S1834-M1842 VanDerWaalsContact CA-O 3.22Å; S1834-M1842 WeakPolarHBondContact CA-O 3.14Å; S1834-M1842 VanDerWaalsContact CB-O 3.24Å; S1834-M1842 WeakPolarHBondContact CB-O 3.33Å; Q1835-M1842 PolarHBondContact N-O 2.78Å; Q1835-M1842 PolarHBondContact O-N 3.39Å; I1837-M1842 HydrophobicContact CB-CB 4.32Å; I1837-M1842 HydrophobicContact CB-CG 4.38Å; I1837-M1842 HydrophobicContact CB-SD 4.17Å; I1837-M1842 HydrophobicContact CD1-CB 4.36Å; I1837-M1842 HydrophobicContact CG2-SD 4.1Å; K1840-M1842 HydrophobicContact CB-CG 4.26Å; K1840-M1842 PolarHBondContact O-N 3.15Å; K1840-M1842 VanDerWaalsContact O-N 3.16Å |
| 1843 | C | 75.7 | Confident | 66.1 | Low | 27 Ų | 27 | 85.7 Ų | 85.7 | 18% | 0.182 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 138.2 | 175.2 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | Y1847 C1854 | C1843-Y1847 WeakPolarHBondContact CB-O 3.43Å; C1843-C1854 WeakPolarHBondContact CA-SG 3.28Å; C1843-C1854 HydrophobicContact CB-CB 3.71Å; C1843-C1854 WeakPolarHBondContact CB-SG 3.15Å; C1843-C1854 WeakPolarHBondContact SG-CA 2.96Å; C1843-C1854 WeakPolarHBondContact SG-CB 3.36Å; C1843-C1854 CovalentContact SG-SG 2.04Å; C1843-C1854 PolarHBondContact SG-SG 2.83Å |
| 1844 | P | 66.9 | Low | 66.1 | Low | 33 Ų | 33 | 84 Ų | 84 | 21% | 0.214 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 156.2 | 174.6 | 30.1 | -35.4 | 0 | 0 | 0 | 111.1 | G1833 G1846 Y1847 | G1833-P1844 WeakPolarHBondContact O-CD 3.46Å; G1833-P1844 WeakPolarHBondContact O-CG 3.49Å; P1844-G1846 PolarHBondContact O-N 2.92Å; P1844-Y1847 HydrophobicContact CG-CD2 4.15Å; P1844-Y1847 PolarHBondContact O-N 3.22Å |
| 1845 | E | 53.8 | Low | 65.2 | Low | 166 Ų | 166 | 92.4 Ų | 92.4 | 78% | 0.776 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 137.7 | -176.4 | -62 | -179.9 | 155 | 0 | 0 | 112.1 | I1057 | I1057-E1845 HydrophobicContact CD1-CB 4.27Å; I1057-E1845 HydrophobicContact CD1-CG 4.2Å |
| 1846 | G | 54.8 | Low | 64.2 | Low | 48 Ų | 48 | 89.4 Ų | 89.4 | 50% | 0.495 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 6.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1844 S1856 S1857 | P1844-G1846 PolarHBondContact O-N 2.92Å; G1846-S1856 WeakPolarHBondContact O-CA 3.28Å; G1846-S1856 PolarHBondContact O-OG 3.18Å; G1846-S1857 PolarHBondContact O-N 3.31Å |
| 1847 | Y | 65.2 | Low | 62.6 | Low | 85 Ų | 85 | 90 Ų | 90 | 33% | 0.333 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 118.1 | 171 | -62.6 | -105.5 | 0 | 0 | 0 | 111.3 | C1843 P1844 C1854 R1855 R1860 | C1843-Y1847 WeakPolarHBondContact CB-O 3.43Å; P1844-Y1847 HydrophobicContact CG-CD2 4.15Å; P1844-Y1847 PolarHBondContact O-N 3.22Å; Y1847-C1854 HydrophobicContact CD1-CB 4.39Å; Y1847-C1854 HydrophobicContact CG-CB 4.4Å; Y1847-R1855 CarbonylContact C-O 3.59Å; Y1847-R1855 WeakPolarHBondContact CA-O 3.29Å; Y1847-R1860 VanDerWaalsContact CZ-NH2 3.33Å; Y1847-R1860 PolarHBondContact OH-NH2 3.34Å |
| 1848 | D | 62.7 | Low | 61 | Low | 94 Ų | 94 | 93.2 Ų | 93.2 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 148.5 | 173.6 | -68.9 | -54 | 0 | 0 | 0 | 111.5 | V1850 C1854 R1855 S1857 | D1848-V1850 HydrophobicContact CB-CG2 4.09Å; D1848-V1850 PolarHBondContact O-N 3.48Å; D1848-C1854 WeakPolarHBondContact O-CA 3.4Å; D1848-R1855 PolarHBondContact N-O 2.99Å; D1848-R1855 PolarHBondContact O-N 2.69Å; D1848-S1857 VanDerWaalsContact CG-OG 3.24Å; D1848-S1857 PolarHBondContact N-OG 2.99Å; D1848-S1857 WeakPolarHBondContact OD2-CB 3.37Å; D1848-S1857 PolarHBondContact OD2-OG 3.06Å |
| 1849 | H | 60.7 | Low | 59.3 | Low | 98 Ų | 98 | 93.5 Ų | 93.5 | 45% | 0.454 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 105.2 | 170.8 | -173.8 | -81.9 | 0 | 0 | 0 | 109.4 | P1820 | P1820-H1849 PolarHBondContact O-NE2 3.08Å |
| 1850 | V | 60 | Low | 57.8 | Low | 67 Ų | 67 | 95.5 Ų | 95.5 | 41% | 0.406 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 114.2 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | D1848 K1852 R1853 | D1848-V1850 HydrophobicContact CB-CG2 4.09Å; D1848-V1850 PolarHBondContact O-N 3.48Å; V1850-K1852 PolarHBondContact O-N 2.98Å; V1850-R1853 PolarHBondContact N-O 3.06Å; V1850-R1853 PolarHBondContact O-N 3.13Å |
| 1851 | N | 56.6 | Low | 56.6 | Low | 155 Ų | 155 | 98.5 Ų | 98.5 | 83% | 0.829 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 53 | -179.7 | -64.1 | -8.9 | 0 | 0 | 0 | 113.8 | R1853 | N1851-R1853 PolarHBondContact O-N 3.14Š|
| 1852 | K | 54.4 | Low | 55.6 | Low | 111 Ų | 111 | 103 Ų | 103 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 21.9 | -176.3 | -60.4 | -169.3 | -178.6 | -175.8 | 0 | 114.8 | P1819 P1820 E1822 V1850 | P1819-K1852 HydrophobicContact CB-CD 4.44Å; P1820-K1852 VanDerWaalsContact CD-O 3.26Å; P1820-K1852 WeakPolarHBondContact CD-O 3.27Å; P1820-K1852 VanDerWaalsContact CG-O 3.24Å; P1820-K1852 WeakPolarHBondContact CG-O 3.28Å; E1822-K1852 WeakPolarHBondContact OE1-CE 3.45Å; E1822-K1852 IonicContact OE1-NZ 2.62Å; E1822-K1852 PolarHBondContact OE1-NZ 3.25Å; V1850-K1852 PolarHBondContact O-N 2.98Å |
| 1853 | R | 58.2 | Low | 55.1 | Low | 150 Ų | 150 | 99 Ų | 99 | 57% | 0.566 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.2 | 171.8 | -72.9 | -169.3 | 153.2 | 166.9 | -11.2 | 111.5 | D1832 V1850 N1851 R1855 | D1832-R1853 HydrophobicContact CB-CG 4.03Å; D1832-R1853 IonicContact OD1-CZ 2.77Å; D1832-R1853 IonicContact OD1-NE 3.37Å; D1832-R1853 PolarHBondContact OD1-NE 3.15Å; D1832-R1853 IonicContact OD1-NH2 2.68Å; D1832-R1853 PolarHBondContact OD1-NH2 3.23Å; D1832-R1853 WeakPolarHBondContact OD2-CG 3.37Å; D1832-R1853 IonicContact OD2-CZ 3.18Å; D1832-R1853 IonicContact OD2-NE 3.22Å; D1832-R1853 PolarHBondContact OD2-NE 2.93Å; D1832-R1853 IonicContact OD2-NH2 3.46Å; D1832-R1853 PolarHBondContact OD2-NH2 2.64Å; V1850-R1853 PolarHBondContact N-O 3.06Å; V1850-R1853 PolarHBondContact O-N 3.13Å; N1851-R1853 PolarHBondContact O-N 3.14Å; R1853-R1855 PolarHBondContact O-N 3.26Å |
| 1854 | C | 61.1 | Low | 55.4 | Low | 20 Ų | 20 | 100.1 Ų | 100.1 | 14% | 0.135 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 108.9 | 173.9 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | D1832 C1843 Y1847 D1848 | D1832-C1854 WeakPolarHBondContact O-CB 3.19Å; C1843-C1854 WeakPolarHBondContact CA-SG 3.28Å; C1843-C1854 HydrophobicContact CB-CB 3.71Å; C1843-C1854 WeakPolarHBondContact CB-SG 3.15Å; C1843-C1854 WeakPolarHBondContact SG-CA 2.96Å; C1843-C1854 WeakPolarHBondContact SG-CB 3.36Å; C1843-C1854 CovalentContact SG-SG 2.04Å; C1843-C1854 PolarHBondContact SG-SG 2.83Å; Y1847-C1854 HydrophobicContact CD1-CB 4.39Å; Y1847-C1854 HydrophobicContact CG-CB 4.4Å; D1848-C1854 WeakPolarHBondContact O-CA 3.4Å |
| 1855 | R | 58.3 | Low | 55.9 | Low | 184 Ų | 184 | 99 Ų | 99 | 69% | 0.694 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.9 | -176.6 | -162.1 | 178.6 | -169.5 | -163.3 | 3.1 | 110.4 | Y1847 D1848 R1853 S1857 | Y1847-R1855 CarbonylContact C-O 3.59Å; Y1847-R1855 WeakPolarHBondContact CA-O 3.29Å; D1848-R1855 PolarHBondContact N-O 2.99Å; D1848-R1855 PolarHBondContact O-N 2.69Å; R1853-R1855 PolarHBondContact O-N 3.26Å; R1855-S1857 PolarHBondContact O-N 3.11Å |
| 1856 | S | 49 | Very low | 56.7 | Low | 45 Ų | 45 | 93.4 Ų | 93.4 | 32% | 0.315 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131 | -174.2 | -157.6 | 0 | 0 | 0 | 0 | 112 | G1846 R1860 | G1846-S1856 WeakPolarHBondContact O-CA 3.28Å; G1846-S1856 PolarHBondContact O-OG 3.18Å; S1856-R1860 PolarHBondContact OG-NH2 3.43Å |
| 1857 | S | 43.8 | Very low | 57.9 | Low | 61 Ų | 61 | 94.7 Ų | 94.7 | 43% | 0.427 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -84.9 | -14.4 | -160.1 | -42.2 | 0 | 0 | 0 | 0 | 115.5 | G1846 D1848 R1855 | G1846-S1857 PolarHBondContact O-N 3.31Å; D1848-S1857 VanDerWaalsContact CG-OG 3.24Å; D1848-S1857 PolarHBondContact N-OG 2.99Å; D1848-S1857 WeakPolarHBondContact OD2-CB 3.37Å; D1848-S1857 PolarHBondContact OD2-OG 3.06Å; R1855-S1857 PolarHBondContact O-N 3.11Å |
| 1858 | K | 35.8 | Very low | 58.1 | Low | 135 Ų | 135 | 94.6 Ų | 94.6 | 59% | 0.587 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -134.1 | 143.4 | 176.9 | -68.7 | -176.2 | 179.7 | 175.6 | 0 | 110.9 | R1860 | K1858-R1860 PolarHBondContact O-N 3.1Š|
| 1859 | R | 32 | Very low | 58.6 | Low | 258 Ų | 258 | 90.7 Ų | 90.7 | 97% | 0.974 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -65 | 130.3 | -175.6 | -65.7 | -178.1 | -179.6 | -176.2 | 0.5 | 110.7 | ||
| 1860 | R | 35.5 | Very low | 58.9 | Low | 74 Ų | 74 | 88.8 Ų | 88.8 | 28% | 0.279 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 140 | 177.3 | -63.7 | -169.4 | -165.7 | 178.5 | 12.4 | 110.7 | Y1847 S1856 K1858 I1871 S1872 I1874 | Y1847-R1860 VanDerWaalsContact CZ-NH2 3.33Å; Y1847-R1860 PolarHBondContact OH-NH2 3.34Å; S1856-R1860 PolarHBondContact OG-NH2 3.43Å; K1858-R1860 PolarHBondContact O-N 3.1Å; R1860-I1871 WeakPolarHBondContact CD-O 3.09Å; R1860-I1871 PolarHBondContact NE-O 3.18Å; R1860-I1871 PolarHBondContact NH1-O 3.22Å; R1860-S1872 VanDerWaalsContact CA-O 3.22Å; R1860-S1872 WeakPolarHBondContact CA-O 3.26Å; R1860-S1872 WeakPolarHBondContact CB-O 3.4Å; R1860-S1872 WeakPolarHBondContact CG-O 3.4Å; R1860-I1874 HydrophobicContact CB-CD1 3.98Å; R1860-I1874 HydrophobicContact CB-CG1 3.5Å; R1860-I1874 VanDerWaalsContact CB-CG1 3.5Å; R1860-I1874 WeakPolarHBondContact O-CD1 3.31Å |
| 1861 | Q | 49.1 | Very low | 58.6 | Low | 161 Ų | 161 | 92.8 Ų | 92.8 | 75% | 0.752 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 146.4 | 178.8 | -81.3 | -171.2 | -15.4 | 0 | 0 | 112 | S1872 T1873 I1874 | Q1861-S1872 PolarHBondContact N-O 2.91Å; Q1861-T1873 CarbonylContact O-C 3.39Å; Q1861-T1873 WeakPolarHBondContact O-CA 3.46Å; Q1861-T1873 WeakPolarHBondContact O-CG2 3.19Å; Q1861-I1874 PolarHBondContact O-N 3.06Å |
| 1862 | P | 55.1 | Low | 58.4 | Low | 95 Ų | 95 | 88.8 Ų | 88.8 | 62% | 0.617 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 145.4 | 177.9 | 31.7 | -34.6 | 0 | 0 | 0 | 113 | I1874 T1876 | P1862-I1874 CarbonylContact C-O 3.54Å; P1862-I1874 VanDerWaalsContact CA-O 3.29Å; P1862-I1874 WeakPolarHBondContact CA-O 3.37Å; P1862-T1876 HydrophobicContact CB-CG2 3.63Å |
| 1863 | A | 68.7 | Low | 59 | Low | 12 Ų | 12 | 85 Ų | 85 | 10% | 0.099 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 157.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1867 T1873 I1874 T1876 | A1863-D1867 HydrophobicContact CB-CB 3.88Å; A1863-T1873 HydrophobicContact CB-CG2 3.36Å; A1863-I1874 PolarHBondContact N-O 2.91Å; A1863-T1876 WeakPolarHBondContact O-CB 3.48Å; A1863-T1876 PolarHBondContact O-N 3.39Å; A1863-T1876 PolarHBondContact O-OG1 3.35Å |
| 1864 | S | 82.1 | Confident | 59.5 | Low | 51 Ų | 51 | 82 Ų | 82 | 36% | 0.357 | 44% | 0.442 | S | S | . | . | trans | -95.6 | 162.8 | -169.4 | -44.1 | 0 | 0 | 0 | 0 | 112.4 | G1866 D1867 C1886 | S1864-G1866 PolarHBondContact O-N 2.89Å; S1864-G1866 VanDerWaalsContact O-N 3.11Å; S1864-D1867 WeakPolarHBondContact CA-OD2 3.33Å; S1864-D1867 WeakPolarHBondContact CB-OD2 3.29Å; S1864-D1867 PolarHBondContact N-OD2 2.04Å; S1864-D1867 WeakPolarHBondContact O-CB 3.36Å; S1864-D1867 PolarHBondContact O-N 3.23Å; S1864-D1867 PolarHBondContact OG-OD2 3.26Å; S1864-C1886 WeakPolarHBondContact O-CB 3.47Å | ||
| 1865 | P | 76.4 | Confident | 59.9 | Low | 9 Ų | 9 | 82.3 Ų | 82.3 | 6% | 0.058 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 116.6 | 170.9 | -21.8 | 32.6 | 0 | 0 | 0 | 111.7 | T1876 C1886 V1894 G1897 | P1865-T1876 WeakPolarHBondContact CD-O 3.38Å; P1865-T1876 WeakPolarHBondContact CG-O 3.49Å; P1865-C1886 CarbonylContact C-O 3.6Å; P1865-C1886 WeakPolarHBondContact CA-O 3.2Å; P1865-V1894 HydrophobicContact CB-CB 4.37Å; P1865-V1894 HydrophobicContact CB-CG1 4.01Å; P1865-V1894 HydrophobicContact CB-CG2 3.59Å; P1865-V1894 WeakPolarHBondContact O-CG1 3.5Å; P1865-G1897 WeakPolarHBondContact CD-O 3.04Å; P1865-G1897 WeakPolarHBondContact CG-O 3.15Å |
| 1866 | G | 71.2 | Confident | 60.9 | Low | 49 Ų | 49 | 76 Ų | 76 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110 | -23.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1864 C1886 | S1864-G1866 PolarHBondContact O-N 2.89Å; S1864-G1866 VanDerWaalsContact O-N 3.11Å; G1866-C1886 PolarHBondContact N-O 3.18Å |
| 1867 | D | 79.5 | Confident | 61.9 | Low | 74 Ų | 74 | 75.2 Ų | 75.2 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -73.4 | 152.8 | -179.8 | -67.6 | -22.3 | 0 | 0 | 0 | 112 | A1863 S1864 I1885 C1886 | A1863-D1867 HydrophobicContact CB-CB 3.88Å; S1864-D1867 WeakPolarHBondContact CA-OD2 3.33Å; S1864-D1867 WeakPolarHBondContact CB-OD2 3.29Å; S1864-D1867 PolarHBondContact N-OD2 2.04Å; S1864-D1867 WeakPolarHBondContact O-CB 3.36Å; S1864-D1867 PolarHBondContact O-N 3.23Å; S1864-D1867 PolarHBondContact OG-OD2 3.26Å; D1867-I1885 CarbonylContact O-C 3.53Å; D1867-I1885 WeakPolarHBondContact O-CA 3.37Å; D1867-I1885 WeakPolarHBondContact O-CG2 3.36Å; D1867-C1886 PolarHBondContact O-N 3.21Å |
| 1868 | A | 69.7 | Low | 63.2 | Low | 83 Ų | 83 | 75.2 Ų | 75.2 | 69% | 0.686 | 43% | 0.434 | S | S | * | . | B | Isolated β-bridge | trans | -65.4 | 137.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | G1884 | A1868-G1884 WeakPolarHBondContact CA-O 3.38Å |
| 1869 | C | 74.4 | Confident | 65.2 | Low | 13 Ų | 13 | 69.2 Ų | 69.2 | 9% | 0.088 | 41% | 0.41 | C | S | . | . | trans | -133 | 145 | -180 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | T1873 C1881 G1884 I1885 C1886 | C1869-T1873 HydrophobicContact CB-CG2 4.12Å; C1869-C1881 HydrophobicContact CB-CB 4.03Å; C1869-C1881 WeakPolarHBondContact CB-SG 3.32Å; C1869-C1881 WeakPolarHBondContact SG-CA 3.47Å; C1869-C1881 WeakPolarHBondContact SG-CB 3.2Å; C1869-C1881 CovalentContact SG-SG 2.04Å; C1869-C1881 PolarHBondContact SG-SG 2.03Å; C1869-G1884 PolarHBondContact N-O 2.91Å; C1869-G1884 CarbonylContact O-C 3.59Å; C1869-G1884 VanDerWaalsContact O-CA 3.28Å; C1869-G1884 WeakPolarHBondContact O-CA 3.5Å; C1869-I1885 VanDerWaalsContact SG-CA 3.59Å; C1869-I1885 PolarHBondContact SG-N 2.7Å; C1869-I1885 VanDerWaalsContact SG-N 3.35Å; C1869-I1885 PolarHBondContact SG-O 2.86Å; C1869-C1886 VanDerWaalsContact CB-SG 3.57Å; C1869-C1886 PolarHBondContact SG-N 2.97Å; C1869-C1886 VanDerWaalsContact SG-N 3.43Å | ||
| 1870 | S | 65.5 | Low | 67.2 | Low | 57 Ų | 57 | 59.1 Ų | 59.1 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | trans | -113.8 | -177.9 | 165.1 | 84.6 | 0 | 0 | 0 | 0 | 109.4 | S1872 T1873 | S1870-S1872 PolarHBondContact O-N 3.1Å; S1870-S1872 VanDerWaalsContact O-N 3.15Å; S1870-S1872 PolarHBondContact OG-N 3.36Å; S1870-S1872 VanDerWaalsContact OG-N 3.11Å; S1870-S1872 PolarHBondContact OG-OG 3.49Å; S1870-T1873 PolarHBondContact N-OG1 3.24Å; S1870-T1873 WeakPolarHBondContact O-CB 3.23Å; S1870-T1873 PolarHBondContact O-N 3.28Å; S1870-T1873 VanDerWaalsContact O-N 3.08Å; S1870-T1873 PolarHBondContact O-OG1 3.46Å | ||
| 1871 | I | 55.1 | Low | 68.9 | Low | 152 Ų | 152 | 58.6 Ų | 58.6 | 78% | 0.779 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.9 | 175.1 | -151.4 | 164.4 | 0 | 0 | 0 | 112.9 | R1860 | R1860-I1871 WeakPolarHBondContact CD-O 3.09Å; R1860-I1871 PolarHBondContact NE-O 3.18Å; R1860-I1871 PolarHBondContact NH1-O 3.22Å |
| 1872 | S | 52.2 | Low | 69.9 | Low | 71 Ų | 71 | 57.3 Ų | 57.3 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 8.8 | 174 | 66.1 | 0 | 0 | 0 | 0 | 114.4 | R1860 Q1861 S1870 | R1860-S1872 VanDerWaalsContact CA-O 3.22Å; R1860-S1872 WeakPolarHBondContact CA-O 3.26Å; R1860-S1872 WeakPolarHBondContact CB-O 3.4Å; R1860-S1872 WeakPolarHBondContact CG-O 3.4Å; Q1861-S1872 PolarHBondContact N-O 2.91Å; S1870-S1872 PolarHBondContact O-N 3.1Å; S1870-S1872 VanDerWaalsContact O-N 3.15Å; S1870-S1872 PolarHBondContact OG-N 3.36Å; S1870-S1872 VanDerWaalsContact OG-N 3.11Å; S1870-S1872 PolarHBondContact OG-OG 3.49Å |
| 1873 | T | 66.8 | Low | 70.5 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 144.2 | 179.4 | -42.4 | 0 | 0 | 0 | 0 | 111.5 | Q1861 A1863 C1869 S1870 | Q1861-T1873 CarbonylContact O-C 3.39Å; Q1861-T1873 WeakPolarHBondContact O-CA 3.46Å; Q1861-T1873 WeakPolarHBondContact O-CG2 3.19Å; A1863-T1873 HydrophobicContact CB-CG2 3.36Å; C1869-T1873 HydrophobicContact CB-CG2 4.12Å; S1870-T1873 PolarHBondContact N-OG1 3.24Å; S1870-T1873 WeakPolarHBondContact O-CB 3.23Å; S1870-T1873 PolarHBondContact O-N 3.28Å; S1870-T1873 VanDerWaalsContact O-N 3.08Å; S1870-T1873 PolarHBondContact O-OG1 3.46Å |
| 1874 | I | 68.7 | Low | 70.5 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 108.2 | 171.5 | -51.8 | -179.2 | 0 | 0 | 0 | 108.1 | R1860 Q1861 P1862 A1863 T1876 | R1860-I1874 HydrophobicContact CB-CD1 3.98Å; R1860-I1874 HydrophobicContact CB-CG1 3.5Å; R1860-I1874 VanDerWaalsContact CB-CG1 3.5Å; R1860-I1874 WeakPolarHBondContact O-CD1 3.31Å; Q1861-I1874 PolarHBondContact O-N 3.06Å; P1862-I1874 CarbonylContact C-O 3.54Å; P1862-I1874 VanDerWaalsContact CA-O 3.29Å; P1862-I1874 WeakPolarHBondContact CA-O 3.37Å; A1863-I1874 PolarHBondContact N-O 2.91Å; I1874-T1876 PolarHBondContact O-N 3.23Å |
| 1875 | C | 69.2 | Low | 70.1 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 17% | 0.169 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 125.4 | 171.6 | -67.5 | 0 | 0 | 0 | 0 | 110.4 | S1879 C1886 | C1875-S1879 WeakPolarHBondContact CB-O 3.49Å; C1875-S1879 WeakPolarHBondContact CB-OG 3.31Å; C1875-C1886 WeakPolarHBondContact CA-SG 3.4Å; C1875-C1886 HydrophobicContact CB-CB 3.78Å; C1875-C1886 WeakPolarHBondContact CB-SG 3.48Å; C1875-C1886 WeakPolarHBondContact SG-CA 3.49Å; C1875-C1886 WeakPolarHBondContact SG-CB 3.42Å; C1875-C1886 CovalentContact SG-SG 2.04Å; C1875-C1886 PolarHBondContact SG-SG 3.48Å |
| 1876 | T | 79.5 | Confident | 70.3 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 32% | 0.319 | 38% | 0.382 | S | S | . | . | trans | -102.6 | -177.6 | -179.1 | 64 | 0 | 0 | 0 | 0 | 110.6 | P1862 A1863 P1865 I1874 G1878 S1879 | P1862-T1876 HydrophobicContact CB-CG2 3.63Å; A1863-T1876 WeakPolarHBondContact O-CB 3.48Å; A1863-T1876 PolarHBondContact O-N 3.39Å; A1863-T1876 PolarHBondContact O-OG1 3.35Å; P1865-T1876 WeakPolarHBondContact CD-O 3.38Å; P1865-T1876 WeakPolarHBondContact CG-O 3.49Å; I1874-T1876 PolarHBondContact O-N 3.23Å; T1876-G1878 PolarHBondContact O-N 3.34Å; T1876-G1878 VanDerWaalsContact O-N 3.09Å; T1876-S1879 PolarHBondContact O-N 3.46Å; T1876-S1879 VanDerWaalsContact O-N 3.11Å; T1876-S1879 PolarHBondContact O-OG 2.82Å | ||
| 1877 | G | 70.2 | Confident | 70.8 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 29% | 0.289 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 19.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1897 M1898 C1899 | G1877-G1897 WeakPolarHBondContact CA-O 3.01Å; G1877-M1898 CarbonylContact O-C 3.6Å; G1877-M1898 WeakPolarHBondContact O-CA 3.39Å; G1877-C1899 WeakPolarHBondContact O-CB 3.17Å; G1877-C1899 PolarHBondContact O-N 3.12Å |
| 1878 | G | 69.6 | Low | 70.7 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 63% | 0.629 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 22.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1876 C1899 | T1876-G1878 PolarHBondContact O-N 3.34Å; T1876-G1878 VanDerWaalsContact O-N 3.09Å; G1878-C1899 PolarHBondContact O-SG 2.99Å |
| 1879 | S | 78.7 | Confident | 70.6 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 153.3 | 171.8 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | C1875 T1876 C1886 | C1875-S1879 WeakPolarHBondContact CB-O 3.49Å; C1875-S1879 WeakPolarHBondContact CB-OG 3.31Å; T1876-S1879 PolarHBondContact O-N 3.46Å; T1876-S1879 VanDerWaalsContact O-N 3.11Å; T1876-S1879 PolarHBondContact O-OG 2.82Å; S1879-C1886 WeakPolarHBondContact OG-CB 3.48Å |
| 1880 | S | 73.7 | Confident | 69.6 | Low | 46 Ų | 46 | 64.2 Ų | 64.2 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.5 | 179 | -68.3 | 0 | 0 | 0 | 0 | 109.8 | R1882 K1887 D1889 | S1880-R1882 PolarHBondContact O-N 3.03Å; S1880-K1887 PolarHBondContact N-O 3.23Å; S1880-K1887 PolarHBondContact O-N 3.07Å; S1880-D1889 PolarHBondContact OG-OD2 3.47Å |
| 1881 | C | 72.4 | Confident | 68.9 | Low | 62 Ų | 62 | 62.5 Ų | 62.5 | 42% | 0.419 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 95.6 | 178.8 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | C1869 | C1869-C1881 HydrophobicContact CB-CB 4.03Å; C1869-C1881 WeakPolarHBondContact CB-SG 3.32Å; C1869-C1881 WeakPolarHBondContact SG-CA 3.47Å; C1869-C1881 WeakPolarHBondContact SG-CB 3.2Å; C1869-C1881 CovalentContact SG-SG 2.04Å; C1869-C1881 PolarHBondContact SG-SG 2.03Å |
| 1882 | R | 69.5 | Low | 69.6 | Low | 135 Ų | 135 | 58.6 Ų | 58.6 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.3 | -179.3 | -68 | -175.7 | 179.9 | -111.5 | 6.5 | 109.2 | S1880 G1884 I1885 K1887 D1889 | S1880-R1882 PolarHBondContact O-N 3.03Å; R1882-G1884 VanDerWaalsContact C-N 3.28Å; R1882-G1884 PolarHBondContact O-N 2.82Å; R1882-I1885 PolarHBondContact N-O 2.85Å; R1882-I1885 PolarHBondContact O-N 2.84Å; R1882-I1885 VanDerWaalsContact O-O 3.08Å; R1882-K1887 HydrophobicContact CB-CB 4.3Å; R1882-K1887 HydrophobicContact CB-CD 4.22Å; R1882-K1887 HydrophobicContact CB-CG 4.49Å; R1882-K1887 WeakPolarHBondContact O-CD 3.06Å; R1882-K1887 WeakPolarHBondContact O-CE 3.26Å; R1882-D1889 IonicContact CZ-OD1 2.8Å; R1882-D1889 IonicContact NE-OD1 2.63Å; R1882-D1889 PolarHBondContact NE-OD1 2.85Å; R1882-D1889 IonicContact NH2-OD1 3.29Å; R1882-D1889 PolarHBondContact NH2-OD1 2.03Å |
| 1883 | E | 67.1 | Low | 70.1 | Confident | 121 Ų | 121 | 57.8 Ų | 57.8 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 32 | -177.2 | -49.9 | -178.7 | 112.9 | 0 | 0 | 114.8 | I1885 K1887 | E1883-I1885 VanDerWaalsContact C-N 3.33Å; E1883-K1887 IonicContact OE2-NZ 3.39Å; E1883-K1887 PolarHBondContact OE2-NZ 2.89Å |
| 1884 | G | 69 | Low | 70.4 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 38% | 0.381 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 13.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | A1868 C1869 R1882 | A1868-G1884 WeakPolarHBondContact CA-O 3.38Å; C1869-G1884 PolarHBondContact N-O 2.91Å; C1869-G1884 CarbonylContact O-C 3.59Å; C1869-G1884 VanDerWaalsContact O-CA 3.28Å; C1869-G1884 WeakPolarHBondContact O-CA 3.5Å; R1882-G1884 VanDerWaalsContact C-N 3.28Å; R1882-G1884 PolarHBondContact O-N 2.82Å |
| 1885 | I | 74.3 | Confident | 70 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 35% | 0.354 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.8 | 171.6 | -62.5 | 174 | 0 | 0 | 0 | 108.4 | D1867 C1869 R1882 E1883 K1887 | D1867-I1885 CarbonylContact O-C 3.53Å; D1867-I1885 WeakPolarHBondContact O-CA 3.37Å; D1867-I1885 WeakPolarHBondContact O-CG2 3.36Å; C1869-I1885 VanDerWaalsContact SG-CA 3.59Å; C1869-I1885 PolarHBondContact SG-N 2.7Å; C1869-I1885 VanDerWaalsContact SG-N 3.35Å; C1869-I1885 PolarHBondContact SG-O 2.86Å; R1882-I1885 PolarHBondContact N-O 2.85Å; R1882-I1885 PolarHBondContact O-N 2.84Å; R1882-I1885 VanDerWaalsContact O-O 3.08Å; E1883-I1885 VanDerWaalsContact C-N 3.33Å; I1885-K1887 HydrophobicContact CB-CG 4.03Å; I1885-K1887 HydrophobicContact CG2-CG 3.91Å; I1885-K1887 PolarHBondContact O-N 3.01Å |
| 1886 | C | 79.3 | Confident | 69.5 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 93.1 | 170.3 | -74.3 | 0 | 0 | 0 | 0 | 109.2 | S1864 P1865 G1866 D1867 C1869 C1875 S1879 | S1864-C1886 WeakPolarHBondContact O-CB 3.47Å; P1865-C1886 CarbonylContact C-O 3.6Å; P1865-C1886 WeakPolarHBondContact CA-O 3.2Å; G1866-C1886 PolarHBondContact N-O 3.18Å; D1867-C1886 PolarHBondContact O-N 3.21Å; C1869-C1886 VanDerWaalsContact CB-SG 3.57Å; C1869-C1886 PolarHBondContact SG-N 2.97Å; C1869-C1886 VanDerWaalsContact SG-N 3.43Å; C1875-C1886 WeakPolarHBondContact CA-SG 3.4Å; C1875-C1886 HydrophobicContact CB-CB 3.78Å; C1875-C1886 WeakPolarHBondContact CB-SG 3.48Å; C1875-C1886 WeakPolarHBondContact SG-CA 3.49Å; C1875-C1886 WeakPolarHBondContact SG-CB 3.42Å; C1875-C1886 CovalentContact SG-SG 2.04Å; C1875-C1886 PolarHBondContact SG-SG 3.48Å; S1879-C1886 WeakPolarHBondContact OG-CB 3.48Å |
| 1887 | K | 81.9 | Confident | 68.6 | Low | 63 Ų | 63 | 70.1 Ų | 70.1 | 27% | 0.274 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 141.6 | -175 | -62.5 | -174.5 | -173.5 | -170 | 0 | 110.9 | S1880 R1882 E1883 I1885 | S1880-K1887 PolarHBondContact N-O 3.23Å; S1880-K1887 PolarHBondContact O-N 3.07Å; R1882-K1887 HydrophobicContact CB-CB 4.3Å; R1882-K1887 HydrophobicContact CB-CD 4.22Å; R1882-K1887 HydrophobicContact CB-CG 4.49Å; R1882-K1887 WeakPolarHBondContact O-CD 3.06Å; R1882-K1887 WeakPolarHBondContact O-CE 3.26Å; E1883-K1887 IonicContact OE2-NZ 3.39Å; E1883-K1887 PolarHBondContact OE2-NZ 2.89Å; I1885-K1887 HydrophobicContact CB-CG 4.03Å; I1885-K1887 HydrophobicContact CG2-CG 3.91Å; I1885-K1887 PolarHBondContact O-N 3.01Å |
| 1888 | C | 77.9 | Confident | 68.1 | Low | 24 Ų | 24 | 73.9 Ų | 73.9 | 16% | 0.162 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 143.4 | 167.3 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | F1892 C1899 | C1888-F1892 HydrophobicContact CB-CB 3.7Å; C1888-C1899 WeakPolarHBondContact CA-SG 3.35Å; C1888-C1899 HydrophobicContact CB-CB 3.7Å; C1888-C1899 WeakPolarHBondContact CB-SG 3.12Å; C1888-C1899 WeakPolarHBondContact SG-CA 3.29Å; C1888-C1899 WeakPolarHBondContact SG-CB 3.24Å; C1888-C1899 CovalentContact SG-SG 2.03Å; C1888-C1899 PolarHBondContact SG-SG 3.47Å |
| 1889 | D | 67.4 | Low | 68 | Low | 48 Ų | 48 | 71.8 Ų | 71.8 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 163.7 | 177.1 | -73.8 | -63.2 | 0 | 0 | 0 | 112.3 | S1880 R1882 G1891 F1892 | S1880-D1889 PolarHBondContact OG-OD2 3.47Å; R1882-D1889 IonicContact CZ-OD1 2.8Å; R1882-D1889 IonicContact NE-OD1 2.63Å; R1882-D1889 PolarHBondContact NE-OD1 2.85Å; R1882-D1889 IonicContact NH2-OD1 3.29Å; R1882-D1889 PolarHBondContact NH2-OD1 2.03Å; D1889-G1891 PolarHBondContact O-N 3.35Å; D1889-G1891 VanDerWaalsContact O-N 3.15Å; D1889-F1892 WeakPolarHBondContact O-CB 3.36Å; D1889-F1892 PolarHBondContact O-N 2.84Å |
| 1890 | L | 52.9 | Low | 67.4 | Low | 169 Ų | 169 | 74.3 Ų | 74.3 | 89% | 0.885 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 121.4 | -173.7 | -77 | 167.4 | 0 | 0 | 0 | 111.1 | ||
| 1891 | G | 51.3 | Low | 66.1 | Low | 21 Ų | 21 | 81.4 Ų | 81.4 | 22% | 0.216 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103.8 | 3.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1889 R1901 R1902 | D1889-G1891 PolarHBondContact O-N 3.35Å; D1889-G1891 VanDerWaalsContact O-N 3.15Å; G1891-R1901 CarbonylContact O-C 3.59Å; G1891-R1901 WeakPolarHBondContact O-CA 3.32Å; G1891-R1902 PolarHBondContact O-N 3.33Å |
| 1892 | F | 70.5 | Confident | 64.7 | Low | 69 Ų | 69 | 85 Ų | 85 | 30% | 0.303 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151.4 | -178.9 | -66 | -104.5 | 0 | 0 | 0 | 112.9 | C1888 D1889 C1899 V1900 R1901 | C1888-F1892 HydrophobicContact CB-CB 3.7Å; D1889-F1892 WeakPolarHBondContact O-CB 3.36Å; D1889-F1892 PolarHBondContact O-N 2.84Å; F1892-C1899 HydrophobicContact CB-CB 4.22Å; F1892-C1899 WeakPolarHBondContact CD1-O 3.26Å; F1892-V1900 CarbonylContact C-O 3.54Å; F1892-V1900 VanDerWaalsContact CA-O 3.23Å; F1892-V1900 WeakPolarHBondContact CA-O 3.29Å; F1892-V1900 WeakPolarHBondContact CB-O 3.38Å; F1892-V1900 VanDerWaalsContact CD1-C 3.45Å; F1892-R1901 HydrophobicContact CD1-CB 4.38Å; F1892-R1901 HydrophobicContact CD1-CG 3.89Å; F1892-R1901 HydrophobicContact CD2-CG 4.48Å; F1892-R1901 HydrophobicContact CE1-CB 4.35Å; F1892-R1901 HydrophobicContact CE1-CG 3.47Å; F1892-R1901 VanDerWaalsContact CE1-CG 3.47Å; F1892-R1901 HydrophobicContact CE2-CG 4.1Å; F1892-R1901 HydrophobicContact CG-CG 4.38Å; F1892-R1901 HydrophobicContact CZ-CG 3.58Å |
| 1893 | E | 62.2 | Low | 63.2 | Low | 54 Ų | 54 | 84.6 Ų | 84.6 | 25% | 0.252 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.1 | 173.5 | 62.6 | 174.9 | -142.6 | 0 | 0 | 111.6 | R1895 C1899 V1900 R1902 | E1893-R1895 PolarHBondContact O-N 3.03Å; E1893-R1895 IonicContact OE1-CZ 3.88Å; E1893-R1895 IonicContact OE1-NE 2.68Å; E1893-R1895 PolarHBondContact OE1-NE 3.03Å; E1893-R1895 IonicContact OE1-NH2 2.66Å; E1893-C1899 WeakPolarHBondContact O-CA 3.4Å; E1893-V1900 HydrophobicContact CG-CG2 4.28Å; E1893-V1900 PolarHBondContact N-O 2.86Å; E1893-V1900 PolarHBondContact O-N 3.35Å; E1893-V1900 VanDerWaalsContact O-N 3.07Å; E1893-R1902 HydrophobicContact CB-CG 3.57Å; E1893-R1902 HydrophobicContact CG-CG 3.91Å |
| 1894 | V | 74 | Confident | 61.5 | Low | 72 Ų | 72 | 82.6 Ų | 82.6 | 44% | 0.436 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 116.5 | 173.7 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | P1865 M1898 | P1865-V1894 HydrophobicContact CB-CB 4.37Å; P1865-V1894 HydrophobicContact CB-CG1 4.01Å; P1865-V1894 HydrophobicContact CB-CG2 3.59Å; P1865-V1894 WeakPolarHBondContact O-CG1 3.5Å; V1894-M1898 WeakPolarHBondContact CA-O 3.17Å |
| 1895 | R | 58.5 | Low | 59.9 | Low | 161 Ų | 161 | 87.1 Ų | 87.1 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.9 | 157.9 | -71.8 | -170.4 | 171.2 | -122.6 | -5 | 109.3 | E1893 G1897 M1898 V1900 | E1893-R1895 PolarHBondContact O-N 3.03Å; E1893-R1895 IonicContact OE1-CZ 3.88Å; E1893-R1895 IonicContact OE1-NE 2.68Å; E1893-R1895 PolarHBondContact OE1-NE 3.03Å; E1893-R1895 IonicContact OE1-NH2 2.66Å; R1895-G1897 VanDerWaalsContact C-N 3.29Å; R1895-G1897 PolarHBondContact O-N 3.12Å; R1895-M1898 PolarHBondContact N-O 2.94Å; R1895-M1898 PolarHBondContact O-N 3.18Å; R1895-M1898 VanDerWaalsContact O-O 3.09Å; R1895-V1900 HydrophobicContact CB-CG2 3.88Å; R1895-V1900 HydrophobicContact CG-CG2 4.01Å |
| 1896 | Q | 60.2 | Low | 58.3 | Low | 191 Ų | 191 | 87.5 Ų | 87.5 | 89% | 0.893 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 46.1 | 175 | -63.5 | 178.7 | -35.8 | 0 | 0 | 113.7 | M1898 | Q1896-M1898 VanDerWaalsContact C-N 3.28Å; Q1896-M1898 PolarHBondContact O-N 3.44Å |
| 1897 | G | 59.3 | Low | 56.7 | Low | 31 Ų | 31 | 90.2 Ų | 90.2 | 32% | 0.32 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 12 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1865 G1877 R1895 | P1865-G1897 WeakPolarHBondContact CD-O 3.04Å; P1865-G1897 WeakPolarHBondContact CG-O 3.15Å; G1877-G1897 WeakPolarHBondContact CA-O 3.01Å; R1895-G1897 VanDerWaalsContact C-N 3.29Å; R1895-G1897 PolarHBondContact O-N 3.12Å |
| 1898 | M | 60.8 | Low | 55.8 | Low | 108 Ų | 108 | 92.8 Ų | 92.8 | 53% | 0.532 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.3 | 175.8 | -69.3 | -176.9 | -75.7 | 0 | 0 | 112.3 | G1877 V1894 R1895 Q1896 V1900 | G1877-M1898 CarbonylContact O-C 3.6Å; G1877-M1898 WeakPolarHBondContact O-CA 3.39Å; V1894-M1898 WeakPolarHBondContact CA-O 3.17Å; R1895-M1898 PolarHBondContact N-O 2.94Å; R1895-M1898 PolarHBondContact O-N 3.18Å; R1895-M1898 VanDerWaalsContact O-O 3.09Å; Q1896-M1898 VanDerWaalsContact C-N 3.28Å; Q1896-M1898 PolarHBondContact O-N 3.44Å; M1898-V1900 PolarHBondContact O-N 2.81Å |
| 1899 | C | 66.6 | Low | 55.3 | Low | 17 Ų | 17 | 92.1 Ų | 92.1 | 12% | 0.115 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 88.6 | 169.5 | -66.6 | 0 | 0 | 0 | 0 | 109.3 | G1877 G1878 C1888 F1892 E1893 | G1877-C1899 WeakPolarHBondContact O-CB 3.17Å; G1877-C1899 PolarHBondContact O-N 3.12Å; G1878-C1899 PolarHBondContact O-SG 2.99Å; C1888-C1899 WeakPolarHBondContact CA-SG 3.35Å; C1888-C1899 HydrophobicContact CB-CB 3.7Å; C1888-C1899 WeakPolarHBondContact CB-SG 3.12Å; C1888-C1899 WeakPolarHBondContact SG-CA 3.29Å; C1888-C1899 WeakPolarHBondContact SG-CB 3.24Å; C1888-C1899 CovalentContact SG-SG 2.03Å; C1888-C1899 PolarHBondContact SG-SG 3.47Å; F1892-C1899 HydrophobicContact CB-CB 4.22Å; F1892-C1899 WeakPolarHBondContact CD1-O 3.26Å; E1893-C1899 WeakPolarHBondContact O-CA 3.4Å |
| 1900 | V | 65.9 | Low | 56 | Low | 63 Ų | 63 | 96 Ų | 96 | 38% | 0.382 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 154.5 | 166.7 | -69.7 | 0 | 0 | 0 | 0 | 109.1 | F1892 E1893 R1895 M1898 R1902 | F1892-V1900 CarbonylContact C-O 3.54Å; F1892-V1900 VanDerWaalsContact CA-O 3.23Å; F1892-V1900 WeakPolarHBondContact CA-O 3.29Å; F1892-V1900 WeakPolarHBondContact CB-O 3.38Å; F1892-V1900 VanDerWaalsContact CD1-C 3.45Å; E1893-V1900 HydrophobicContact CG-CG2 4.28Å; E1893-V1900 PolarHBondContact N-O 2.86Å; E1893-V1900 PolarHBondContact O-N 3.35Å; E1893-V1900 VanDerWaalsContact O-N 3.07Å; R1895-V1900 HydrophobicContact CB-CG2 3.88Å; R1895-V1900 HydrophobicContact CG-CG2 4.01Å; M1898-V1900 PolarHBondContact O-N 2.81Å; V1900-R1902 PolarHBondContact O-N 2.92Å |
| 1901 | R | 46.9 | Very low | 57.3 | Low | 195 Ų | 195 | 88.6 Ų | 88.6 | 74% | 0.736 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 131 | 175.2 | -88.2 | -171 | 169.5 | 134.3 | -4.2 | 109 | G1891 F1892 T1903 | G1891-R1901 CarbonylContact O-C 3.59Å; G1891-R1901 WeakPolarHBondContact O-CA 3.32Å; F1892-R1901 HydrophobicContact CD1-CB 4.38Å; F1892-R1901 HydrophobicContact CD1-CG 3.89Å; F1892-R1901 HydrophobicContact CD2-CG 4.48Å; F1892-R1901 HydrophobicContact CE1-CB 4.35Å; F1892-R1901 HydrophobicContact CE1-CG 3.47Å; F1892-R1901 VanDerWaalsContact CE1-CG 3.47Å; F1892-R1901 HydrophobicContact CE2-CG 4.1Å; F1892-R1901 HydrophobicContact CG-CG 4.38Å; F1892-R1901 HydrophobicContact CZ-CG 3.58Å; R1901-T1903 PolarHBondContact O-N 3.49Å |
| 1902 | R | 43.7 | Very low | 58.1 | Low | 138 Ų | 138 | 90.6 Ų | 90.6 | 52% | 0.521 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 133.9 | 159.7 | -90.3 | 172.5 | 171.2 | 165.9 | -0.5 | 105.9 | G1891 E1893 V1900 V1904 | G1891-R1902 PolarHBondContact O-N 3.33Å; E1893-R1902 HydrophobicContact CB-CG 3.57Å; E1893-R1902 HydrophobicContact CG-CG 3.91Å; V1900-R1902 PolarHBondContact O-N 2.92Å; R1902-V1904 HydrophobicContact CB-CB 4.5Å; R1902-V1904 HydrophobicContact CB-CG2 3.63Å; R1902-V1904 PolarHBondContact O-N 2.81Å |
| 1903 | T | 37.6 | Very low | 58.6 | Low | 126 Ų | 126 | 90.2 Ų | 90.2 | 77% | 0.773 | 47% | 0.469 | S | S | * | . | trans | -63.4 | 76.9 | 143.9 | 40.5 | 0 | 0 | 0 | 0 | 106.4 | R1901 T1905 | R1901-T1903 PolarHBondContact O-N 3.49Å; T1903-T1905 PolarHBondContact O-N 3.22Å | ||
| 1904 | V | 32.4 | Very low | 59.2 | Low | 78 Ų | 78 | 98.1 Ų | 98.1 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | trans | -54.5 | 115.6 | 178.5 | 174.5 | 0 | 0 | 0 | 0 | 105.2 | R1902 I1906 | R1902-V1904 HydrophobicContact CB-CB 4.5Å; R1902-V1904 HydrophobicContact CB-CG2 3.63Å; R1902-V1904 PolarHBondContact O-N 2.81Å; V1904-I1906 WeakPolarHBondContact O-CG1 3.32Å; V1904-I1906 PolarHBondContact O-N 3.01Å | ||
| 1905 | T | 34.3 | Very low | 59.3 | Low | 133 Ų | 133 | 94.9 Ų | 94.9 | 82% | 0.816 | 48% | 0.477 | S | S | * | . | trans | -66.2 | 83.8 | 178.8 | 39.7 | 0 | 0 | 0 | 0 | 107.2 | T1903 S1907 | T1903-T1905 PolarHBondContact O-N 3.22Å; T1905-S1907 PolarHBondContact O-N 2.83Å; T1905-S1907 VanDerWaalsContact O-N 3.16Å | ||
| 1906 | I | 40.3 | Very low | 60.1 | Low | 77 Ų | 77 | 91.5 Ų | 91.5 | 40% | 0.395 | 48% | 0.475 | S | S | . | . | trans | -53.8 | 124 | -166.9 | -28 | 171.1 | 0 | 0 | 0 | 107.4 | V1904 L1908 N1921 | V1904-I1906 WeakPolarHBondContact O-CG1 3.32Å; V1904-I1906 PolarHBondContact O-N 3.01Å; I1906-L1908 WeakPolarHBondContact O-CD2 3.02Å; I1906-L1908 WeakPolarHBondContact O-CG 3.02Å; I1906-L1908 PolarHBondContact O-N 2.84Å; I1906-N1921 HydrophobicContact CB-CB 3.66Å; I1906-N1921 HydrophobicContact CD1-CB 4.08Å; I1906-N1921 HydrophobicContact CG1-CB 4.46Å; I1906-N1921 HydrophobicContact CG2-CB 3.68Å | ||
| 1907 | S | 47.1 | Very low | 59.9 | Low | 57 Ų | 57 | 86 Ų | 86 | 40% | 0.399 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -56.4 | 117.7 | -168.2 | 49 | 0 | 0 | 0 | 0 | 109.9 | T1905 A1909 A1919 T1920 N1921 | T1905-S1907 PolarHBondContact O-N 2.83Å; T1905-S1907 VanDerWaalsContact O-N 3.16Å; S1907-A1909 VanDerWaalsContact C-N 3.28Å; S1907-A1909 PolarHBondContact O-N 3.38Å; S1907-A1919 PolarHBondContact N-O 3.37Å; S1907-A1919 PolarHBondContact OG-O 3Å; S1907-T1920 CarbonylContact O-C 3.47Å; S1907-T1920 WeakPolarHBondContact O-CG2 3.36Å; S1907-T1920 VanDerWaalsContact OG-CA 3.25Å; S1907-T1920 WeakPolarHBondContact OG-CA 3.26Å; S1907-T1920 WeakPolarHBondContact OG-CB 3.16Å; S1907-T1920 PolarHBondContact OG-OG1 2.03Å; S1907-N1921 PolarHBondContact O-N 2.88Å |
| 1908 | L | 61.3 | Low | 59.4 | Low | 116 Ų | 116 | 94.2 Ų | 94.2 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | trans | -86.8 | 65.5 | -167.4 | -64.7 | 179.3 | 0 | 0 | 0 | 110.9 | I1906 N1921 T1923 | I1906-L1908 WeakPolarHBondContact O-CD2 3.02Å; I1906-L1908 WeakPolarHBondContact O-CG 3.02Å; I1906-L1908 PolarHBondContact O-N 2.84Å; L1908-N1921 HydrophobicContact CD2-CB 4.34Å; L1908-T1923 HydrophobicContact CB-CG2 3.7Å; L1908-T1923 HydrophobicContact CD2-CG2 3.48Å; L1908-T1923 VanDerWaalsContact CD2-CG2 3.48Å; L1908-T1923 HydrophobicContact CG-CG2 4.09Å | ||
| 1909 | A | 69.1 | Low | 59.2 | Low | 10 Ų | 10 | 91.8 Ų | 91.8 | 8% | 0.083 | 48% | 0.476 | C | S | . | . | trans | -67.1 | 144.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S1907 E1913 T1920 C1922 T1923 C1933 | S1907-A1909 VanDerWaalsContact C-N 3.28Å; S1907-A1909 PolarHBondContact O-N 3.38Å; A1909-E1913 WeakPolarHBondContact CA-OE2 3.3Å; A1909-E1913 HydrophobicContact CB-CB 4.1Å; A1909-T1920 HydrophobicContact CB-CG2 3.37Å; A1909-C1922 WeakPolarHBondContact O-CA 3.42Å; A1909-T1923 PolarHBondContact O-N 3.48Å; A1909-T1923 PolarHBondContact O-OG1 3.36Å; A1909-C1933 VanDerWaalsContact CB-SG 3.59Å | ||
| 1910 | R | 81.3 | Confident | 59.1 | Low | 129 Ų | 129 | 92 Ų | 92 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | trans | -105.8 | 169 | -177.9 | -60.6 | 174.1 | -174.8 | -160.1 | 9.4 | 110.8 | G1912 E1913 T1923 C1933 K1944 | R1910-G1912 PolarHBondContact O-N 3.18Å; R1910-E1913 PolarHBondContact N-OE2 3.15Å; R1910-E1913 WeakPolarHBondContact O-CB 3.36Å; R1910-E1913 PolarHBondContact O-N 3.18Å; R1910-T1923 VanDerWaalsContact CG-OG1 3.3Å; R1910-T1923 WeakPolarHBondContact CG-OG1 3.18Å; R1910-C1933 WeakPolarHBondContact O-CB 3.3Å; R1910-K1944 HydrophobicContact CB-CB 4Å; R1910-K1944 HydrophobicContact CB-CD 3.99Å; R1910-K1944 HydrophobicContact CB-CG 4.44Å; R1910-K1944 VanDerWaalsContact CD-CD 3.43Å; R1910-K1944 HydrophobicContact CG-CB 4.41Å; R1910-K1944 HydrophobicContact CG-CD 4.34Å | ||
| 1911 | P | 80.9 | Confident | 59.1 | Low | 14 Ų | 14 | 92.5 Ų | 92.5 | 9% | 0.091 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 127.5 | 179.2 | -22.3 | 32.5 | 0 | 0 | 0 | 111.3 | C1933 A1941 K1944 | P1911-C1933 WeakPolarHBondContact CA-O 3.23Å; P1911-A1941 HydrophobicContact CB-CB 3.77Å; P1911-K1944 WeakPolarHBondContact CD-O 3.41Å |
| 1912 | G | 67.7 | Low | 60.1 | Low | 63 Ų | 63 | 83.8 Ų | 83.8 | 65% | 0.649 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -11.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1910 C1933 | R1910-G1912 PolarHBondContact O-N 3.18Å; G1912-C1933 PolarHBondContact N-O 3.42Å |
| 1913 | E | 80.4 | Confident | 61.9 | Low | 62 Ų | 62 | 78.7 Ų | 78.7 | 29% | 0.29 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -91.7 | 152.1 | -178.5 | -64.5 | 168.9 | -173.6 | 0 | 0 | 112.3 | A1909 R1910 C1933 K1944 | A1909-E1913 WeakPolarHBondContact CA-OE2 3.3Å; A1909-E1913 HydrophobicContact CB-CB 4.1Å; R1910-E1913 PolarHBondContact N-OE2 3.15Å; R1910-E1913 WeakPolarHBondContact O-CB 3.36Å; R1910-E1913 PolarHBondContact O-N 3.18Å; E1913-C1933 PolarHBondContact O-N 3.27Å; E1913-K1944 IonicContact OE1-NZ 3.43Å; E1913-K1944 PolarHBondContact OE1-NZ 2.86Å |
| 1914 | R | 74 | Confident | 63.6 | Low | 219 Ų | 219 | 73.6 Ų | 73.6 | 83% | 0.826 | 40% | 0.403 | S | S | * | . | B | Isolated β-bridge | trans | -64.7 | 138.4 | 177.7 | 178.8 | -178.6 | -81.1 | -149.5 | -1.6 | 110.4 | G1931 | R1914-G1931 CarbonylContact C-O 3.55Å; R1914-G1931 WeakPolarHBondContact CA-O 3.43Å; R1914-G1931 WeakPolarHBondContact CG-O 3.48Å |
| 1915 | C | 77.2 | Confident | 65.6 | Low | 5 Ų | 5 | 72.3 Ų | 72.3 | 3% | 0.034 | 41% | 0.405 | C | S | . | . | trans | -132.4 | 159.9 | 176.6 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | T1920 C1928 G1931 T1932 | C1915-T1920 HydrophobicContact CB-CG2 3.57Å; C1915-C1928 HydrophobicContact CB-CB 3.93Å; C1915-C1928 WeakPolarHBondContact CB-SG 3.49Å; C1915-C1928 WeakPolarHBondContact SG-CA 3.45Å; C1915-C1928 WeakPolarHBondContact SG-CB 3.21Å; C1915-C1928 CovalentContact SG-SG 2.03Å; C1915-C1928 PolarHBondContact SG-SG 2.83Å; C1915-G1931 PolarHBondContact N-O 3.46Å; C1915-G1931 CarbonylContact O-C 3.45Å; C1915-G1931 VanDerWaalsContact O-CA 3.24Å; C1915-G1931 WeakPolarHBondContact O-CA 3.26Å; C1915-T1932 VanDerWaalsContact SG-CA 3.6Å; C1915-T1932 PolarHBondContact SG-N 3.08Å | ||
| 1916 | V | 74.3 | Confident | 67.8 | Low | 90 Ų | 90 | 66.4 Ų | 66.4 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | trans | -118.2 | 131.9 | 167.5 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | A1919 T1920 | V1916-A1919 HydrophobicContact CB-CB 4.3Å; V1916-A1919 HydrophobicContact CG1-CB 4.44Å; V1916-A1919 PolarHBondContact O-N 2.86Å; V1916-T1920 PolarHBondContact N-OG1 3.27Å; V1916-T1920 WeakPolarHBondContact O-CB 3.31Å; V1916-T1920 PolarHBondContact O-N 2.82Å | ||
| 1917 | Q | 56 | Low | 69.7 | Low | 74 Ų | 74 | 67.2 Ų | 67.2 | 35% | 0.346 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 142.3 | 176.7 | -70.5 | 169.9 | -84.3 | 0 | 0 | 109.8 | S1749 T1750 A1919 | S1749-Q1917 PolarHBondContact OG-NE2 3.48Å; T1750-Q1917 PolarHBondContact OG1-NE2 2.79Å; Q1917-A1919 PolarHBondContact O-N 3.38Å |
| 1918 | E | 50.4 | Low | 71.1 | Confident | 205 Ų | 205 | 65.6 Ų | 65.6 | 96% | 0.958 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -17.4 | -175.3 | -50.4 | -168.9 | 165.2 | 0 | 0 | 117.3 | ||
| 1919 | A | 55.7 | Low | 71.6 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -14.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1907 V1916 Q1917 | S1907-A1919 PolarHBondContact N-O 3.37Å; S1907-A1919 PolarHBondContact OG-O 3Å; V1916-A1919 HydrophobicContact CB-CB 4.3Å; V1916-A1919 HydrophobicContact CG1-CB 4.44Å; V1916-A1919 PolarHBondContact O-N 2.86Å; Q1917-A1919 PolarHBondContact O-N 3.38Å |
| 1920 | T | 64.5 | Low | 71.2 | Confident | 21 Ų | 21 | 68 Ų | 68 | 13% | 0.129 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -124.4 | 127 | -177.8 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | S1907 A1909 C1915 V1916 | S1907-T1920 CarbonylContact O-C 3.47Å; S1907-T1920 WeakPolarHBondContact O-CG2 3.36Å; S1907-T1920 VanDerWaalsContact OG-CA 3.25Å; S1907-T1920 WeakPolarHBondContact OG-CA 3.26Å; S1907-T1920 WeakPolarHBondContact OG-CB 3.16Å; S1907-T1920 PolarHBondContact OG-OG1 2.03Å; A1909-T1920 HydrophobicContact CB-CG2 3.37Å; C1915-T1920 HydrophobicContact CB-CG2 3.57Å; V1916-T1920 PolarHBondContact N-OG1 3.27Å; V1916-T1920 WeakPolarHBondContact O-CB 3.31Å; V1916-T1920 PolarHBondContact O-N 2.82Å |
| 1921 | N | 66.6 | Low | 70.4 | Confident | 75 Ų | 75 | 63 Ų | 63 | 40% | 0.401 | 35% | 0.348 | S | S | . | . | trans | -93.9 | 108.2 | 174.1 | -176.6 | 15.7 | 0 | 0 | 0 | 108.9 | I1906 S1907 L1908 T1923 | I1906-N1921 HydrophobicContact CB-CB 3.66Å; I1906-N1921 HydrophobicContact CD1-CB 4.08Å; I1906-N1921 HydrophobicContact CG1-CB 4.46Å; I1906-N1921 HydrophobicContact CG2-CB 3.68Å; S1907-N1921 PolarHBondContact O-N 2.88Å; L1908-N1921 HydrophobicContact CD2-CB 4.34Å; N1921-T1923 PolarHBondContact O-N 2.95Å; N1921-T1923 VanDerWaalsContact O-N 3.16Å | ||
| 1922 | C | 68 | Low | 70.1 | Confident | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | trans | -67.6 | 112 | 175.4 | -72.7 | 0 | 0 | 0 | 0 | 110 | A1909 S1926 R1927 C1928 C1933 | A1909-C1922 WeakPolarHBondContact O-CA 3.42Å; C1922-S1926 VanDerWaalsContact CB-C 3.49Å; C1922-S1926 WeakPolarHBondContact CB-O 3.42Å; C1922-S1926 WeakPolarHBondContact CB-OG 3.44Å; C1922-S1926 VanDerWaalsContact O-O 3.13Å; C1922-R1927 VanDerWaalsContact SG-C 3.56Å; C1922-C1928 VanDerWaalsContact SG-CA 3.51Å; C1922-C1928 VanDerWaalsContact SG-CB 3.6Å; C1922-C1928 PolarHBondContact SG-N 3.44Å; C1922-C1933 WeakPolarHBondContact CA-SG 3.47Å; C1922-C1933 HydrophobicContact CB-CB 3.77Å; C1922-C1933 WeakPolarHBondContact CB-SG 3.4Å; C1922-C1933 WeakPolarHBondContact SG-CA 3.43Å; C1922-C1933 WeakPolarHBondContact SG-CB 3Å; C1922-C1933 CovalentContact SG-SG 2.04Å; C1922-C1933 PolarHBondContact SG-SG 3.26Å | ||
| 1923 | T | 80 | Confident | 70.6 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 19% | 0.19 | 33% | 0.33 | C | S | . | . | trans | -87.2 | 166.6 | -173.4 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | L1908 A1909 R1910 N1921 G1925 S1926 | L1908-T1923 HydrophobicContact CB-CG2 3.7Å; L1908-T1923 HydrophobicContact CD2-CG2 3.48Å; L1908-T1923 VanDerWaalsContact CD2-CG2 3.48Å; L1908-T1923 HydrophobicContact CG-CG2 4.09Å; A1909-T1923 PolarHBondContact O-N 3.48Å; A1909-T1923 PolarHBondContact O-OG1 3.36Å; R1910-T1923 VanDerWaalsContact CG-OG1 3.3Å; R1910-T1923 WeakPolarHBondContact CG-OG1 3.18Å; N1921-T1923 PolarHBondContact O-N 2.95Å; N1921-T1923 VanDerWaalsContact O-N 3.16Å; T1923-G1925 VanDerWaalsContact C-N 3.29Å; T1923-G1925 PolarHBondContact O-N 2.79Å; T1923-S1926 PolarHBondContact O-N 3.23Å; T1923-S1926 PolarHBondContact O-OG 3.43Å | ||
| 1924 | G | 74.7 | Confident | 70.6 | Confident | 20 Ų | 20 | 63 Ų | 63 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 39.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1926 C1946 | G1924-S1926 VanDerWaalsContact C-N 3.27Å; G1924-S1926 PolarHBondContact O-N 3.12Å; G1924-C1946 WeakPolarHBondContact O-CA 3.16Å; G1924-C1946 WeakPolarHBondContact O-CB 3.15Å; G1924-C1946 PolarHBondContact O-N 3.37Å; G1924-C1946 PolarHBondContact O-SG 3.11Å; G1924-C1946 VanDerWaalsContact O-SG 3.4Å |
| 1925 | G | 73.7 | Confident | 70.8 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -1.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1923 P1936 | T1923-G1925 VanDerWaalsContact C-N 3.29Å; T1923-G1925 PolarHBondContact O-N 2.79Å; G1925-P1936 WeakPolarHBondContact O-CD 3.09Å |
| 1926 | S | 80.2 | Confident | 70.3 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 6% | 0.056 | 32% | 0.315 | C | S | . | . | trans | -73 | 158.7 | 174.2 | 53.6 | 0 | 0 | 0 | 0 | 112.7 | C1922 T1923 G1924 K1934 | C1922-S1926 VanDerWaalsContact CB-C 3.49Å; C1922-S1926 WeakPolarHBondContact CB-O 3.42Å; C1922-S1926 WeakPolarHBondContact CB-OG 3.44Å; C1922-S1926 VanDerWaalsContact O-O 3.13Å; T1923-S1926 PolarHBondContact O-N 3.23Å; T1923-S1926 PolarHBondContact O-OG 3.43Å; G1924-S1926 VanDerWaalsContact C-N 3.27Å; G1924-S1926 PolarHBondContact O-N 3.12Å; S1926-K1934 CarbonylContact C-O 3.58Å; S1926-K1934 WeakPolarHBondContact CA-O 3.1Å; S1926-K1934 WeakPolarHBondContact CB-O 3.08Å | ||
| 1927 | R | 80.4 | Confident | 69.3 | Low | 95 Ų | 95 | 55.4 Ų | 55.4 | 36% | 0.358 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 150.2 | 172.6 | -66 | -172.2 | -176.2 | 178.5 | 5.3 | 110.3 | E1746 T1747 C1922 I1929 C1933 K1934 | E1746-R1927 VanDerWaalsContact CD-NH2 3.33Å; E1746-R1927 IonicContact OE1-NH2 3.3Å; E1746-R1927 PolarHBondContact OE1-NH2 2.9Å; E1746-R1927 IonicContact OE2-CZ 2.81Å; E1746-R1927 IonicContact OE2-NH1 2.96Å; E1746-R1927 PolarHBondContact OE2-NH1 3Å; E1746-R1927 IonicContact OE2-NH2 3.66Å; E1746-R1927 PolarHBondContact OE2-NH2 3.4Å; T1747-R1927 PolarHBondContact OG1-NH1 3.01Å; C1922-R1927 VanDerWaalsContact SG-C 3.56Å; R1927-I1929 HydrophobicContact CB-CG1 4.49Å; R1927-I1929 PolarHBondContact O-N 3.14Å; R1927-C1933 CarbonylContact O-C 3.46Å; R1927-C1933 WeakPolarHBondContact O-CA 3.49Å; R1927-K1934 PolarHBondContact N-O 3Å; R1927-K1934 PolarHBondContact O-N 2.9Å |
| 1928 | C | 75.9 | Confident | 69.4 | Low | 23 Ų | 23 | 53.4 Ų | 53.4 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 106.6 | 179.1 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | C1915 C1922 | C1915-C1928 HydrophobicContact CB-CB 3.93Å; C1915-C1928 WeakPolarHBondContact CB-SG 3.49Å; C1915-C1928 WeakPolarHBondContact SG-CA 3.45Å; C1915-C1928 WeakPolarHBondContact SG-CB 3.21Å; C1915-C1928 CovalentContact SG-SG 2.03Å; C1915-C1928 PolarHBondContact SG-SG 2.83Å; C1922-C1928 VanDerWaalsContact SG-CA 3.51Å; C1922-C1928 VanDerWaalsContact SG-CB 3.6Å; C1922-C1928 PolarHBondContact SG-N 3.44Å |
| 1929 | I | 73.4 | Confident | 70.3 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.2 | -177.2 | -60.1 | -177.7 | 0 | 0 | 0 | 108.4 | T1747 M1748 R1927 G1931 T1932 K1934 | T1747-I1929 HydrophobicContact CG2-CD1 3.47Å; T1747-I1929 VanDerWaalsContact CG2-CD1 3.47Å; T1747-I1929 HydrophobicContact CG2-CG1 4.26Å; M1748-I1929 HydrophobicContact CB-CD1 4.45Å; M1748-I1929 HydrophobicContact CB-CG1 4.45Å; M1748-I1929 HydrophobicContact CB-CG2 3.76Å; M1748-I1929 HydrophobicContact CE-CG2 3.62Å; M1748-I1929 HydrophobicContact CG-CG2 4.46Å; M1748-I1929 HydrophobicContact SD-CG2 3.86Å; R1927-I1929 HydrophobicContact CB-CG1 4.49Å; R1927-I1929 PolarHBondContact O-N 3.14Å; I1929-G1931 PolarHBondContact O-N 3.13Å; I1929-G1931 VanDerWaalsContact O-N 3.12Å; I1929-T1932 PolarHBondContact N-O 3.31Å; I1929-T1932 PolarHBondContact O-N 3.29Å; I1929-T1932 VanDerWaalsContact O-O 3.06Å; I1929-K1934 HydrophobicContact CB-CB 4.35Å; I1929-K1934 HydrophobicContact CB-CD 4.44Å; I1929-K1934 HydrophobicContact CD1-CB 3.9Å; I1929-K1934 HydrophobicContact CD1-CD 4.41Å; I1929-K1934 HydrophobicContact CG1-CB 4.34Å; I1929-K1934 HydrophobicContact CG2-CD 4.47Å |
| 1930 | F | 60.2 | Low | 70.6 | Confident | 163 Ų | 163 | 45 Ų | 45 | 72% | 0.715 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43 | 45.1 | -175.3 | -64 | -47 | 0 | 0 | 0 | 113.8 | M1748 T1932 | M1748-F1930 HydrophobicContact CE-CD2 3.73Å; M1748-F1930 HydrophobicContact CE-CE2 3.37Å; M1748-F1930 HydrophobicContact CE-CZ 4.28Å; F1930-T1932 PolarHBondContact O-N 2.78Å |
| 1931 | G | 64.3 | Low | 70.7 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 24% | 0.237 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 12.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1914 C1915 I1929 | R1914-G1931 CarbonylContact C-O 3.55Å; R1914-G1931 WeakPolarHBondContact CA-O 3.43Å; R1914-G1931 WeakPolarHBondContact CG-O 3.48Å; C1915-G1931 PolarHBondContact N-O 3.46Å; C1915-G1931 CarbonylContact O-C 3.45Å; C1915-G1931 VanDerWaalsContact O-CA 3.24Å; C1915-G1931 WeakPolarHBondContact O-CA 3.26Å; I1929-G1931 PolarHBondContact O-N 3.13Å; I1929-G1931 VanDerWaalsContact O-N 3.12Å |
| 1932 | T | 74.9 | Confident | 70.2 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 36% | 0.356 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.4 | 170.7 | -51.4 | 0 | 0 | 0 | 0 | 111 | C1915 I1929 F1930 K1934 | C1915-T1932 VanDerWaalsContact SG-CA 3.6Å; C1915-T1932 PolarHBondContact SG-N 3.08Å; I1929-T1932 PolarHBondContact N-O 3.31Å; I1929-T1932 PolarHBondContact O-N 3.29Å; I1929-T1932 VanDerWaalsContact O-O 3.06Å; F1930-T1932 PolarHBondContact O-N 2.78Å; T1932-K1934 PolarHBondContact O-N 3.03Å |
| 1933 | C | 78.8 | Confident | 69.9 | Low | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 107 | 175.7 | -68.6 | 0 | 0 | 0 | 0 | 111 | A1909 R1910 P1911 G1912 E1913 C1922 R1927 | A1909-C1933 VanDerWaalsContact CB-SG 3.59Å; R1910-C1933 WeakPolarHBondContact O-CB 3.3Å; P1911-C1933 WeakPolarHBondContact CA-O 3.23Å; G1912-C1933 PolarHBondContact N-O 3.42Å; E1913-C1933 PolarHBondContact O-N 3.27Å; C1922-C1933 WeakPolarHBondContact CA-SG 3.47Å; C1922-C1933 HydrophobicContact CB-CB 3.77Å; C1922-C1933 WeakPolarHBondContact CB-SG 3.4Å; C1922-C1933 WeakPolarHBondContact SG-CA 3.43Å; C1922-C1933 WeakPolarHBondContact SG-CB 3Å; C1922-C1933 CovalentContact SG-SG 2.04Å; C1922-C1933 PolarHBondContact SG-SG 3.26Å; R1927-C1933 CarbonylContact O-C 3.46Å; R1927-C1933 WeakPolarHBondContact O-CA 3.49Å |
| 1934 | K | 80.3 | Confident | 69 | Low | 81 Ų | 81 | 57.4 Ų | 57.4 | 35% | 0.352 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 152.4 | 176.7 | -83.7 | -165.1 | 168.5 | -164 | 0 | 111.6 | S1926 R1927 I1929 T1932 D1963 | S1926-K1934 CarbonylContact C-O 3.58Å; S1926-K1934 WeakPolarHBondContact CA-O 3.1Å; S1926-K1934 WeakPolarHBondContact CB-O 3.08Å; R1927-K1934 PolarHBondContact N-O 3Å; R1927-K1934 PolarHBondContact O-N 2.9Å; I1929-K1934 HydrophobicContact CB-CB 4.35Å; I1929-K1934 HydrophobicContact CB-CD 4.44Å; I1929-K1934 HydrophobicContact CD1-CB 3.9Å; I1929-K1934 HydrophobicContact CD1-CD 4.41Å; I1929-K1934 HydrophobicContact CG1-CB 4.34Å; I1929-K1934 HydrophobicContact CG2-CD 4.47Å; T1932-K1934 PolarHBondContact O-N 3.03Å; K1934-D1963 IonicContact NZ-OD1 3.23Å; K1934-D1963 IonicContact NZ-OD2 3.2Å; K1934-D1963 PolarHBondContact NZ-OD2 2.79Å |
| 1935 | C | 77.8 | Confident | 68.7 | Low | 33 Ų | 33 | 63.7 Ų | 63.7 | 22% | 0.223 | 34% | 0.343 | C | S | . | . | trans | -77 | 146.8 | 173.5 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | T1939 C1946 | C1935-T1939 WeakPolarHBondContact CB-O 3.17Å; C1935-C1946 WeakPolarHBondContact CA-SG 3.37Å; C1935-C1946 HydrophobicContact CB-CB 3.73Å; C1935-C1946 WeakPolarHBondContact CB-SG 3.07Å; C1935-C1946 VanDerWaalsContact SG-CA 3.55Å; C1935-C1946 WeakPolarHBondContact SG-CB 3.04Å; C1935-C1946 CovalentContact SG-SG 2.04Å; C1935-C1946 PolarHBondContact SG-SG 3.21Å | ||
| 1936 | P | 67.2 | Low | 68.2 | Low | 37 Ų | 37 | 62.1 Ų | 62.1 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | trans | -75.1 | 166.5 | 173.2 | 31.6 | -35.9 | 0 | 0 | 0 | 112.4 | G1925 T1939 | G1925-P1936 WeakPolarHBondContact O-CD 3.09Å; P1936-T1939 WeakPolarHBondContact CD-OG1 3.24Å; P1936-T1939 PolarHBondContact O-N 3Å; P1936-T1939 PolarHBondContact O-OG1 3.43Å | ||
| 1937 | K | 52.7 | Low | 67.4 | Low | 85 Ų | 85 | 65.7 Ų | 65.7 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.8 | 135.7 | 176.3 | -74.9 | 164.7 | 179.6 | -79.7 | 0 | 113.1 | A1745 T1939 D1965 | A1745-K1937 WeakPolarHBondContact O-CE 3.34Å; K1937-T1939 VanDerWaalsContact C-N 3.28Å; K1937-T1939 PolarHBondContact O-N 2.83Å; K1937-D1965 WeakPolarHBondContact CE-OD1 3.09Å; K1937-D1965 WeakPolarHBondContact CE-OD2 3.4Å; K1937-D1965 HydrophobicContact CG-CB 3.79Å; K1937-D1965 IonicContact NZ-OD1 2.8Å; K1937-D1965 PolarHBondContact NZ-OD1 3.02Å; K1937-D1965 IonicContact NZ-OD2 3.19Å; K1937-D1965 PolarHBondContact NZ-OD2 3.1Å |
| 1938 | G | 57.2 | Low | 66.3 | Low | 32 Ų | 32 | 63.9 Ų | 63.9 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 8.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1949 | G1938-A1949 PolarHBondContact O-N 3.34Š|
| 1939 | T | 69.8 | Low | 65.1 | Low | 38 Ų | 38 | 63.7 Ų | 63.7 | 23% | 0.233 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.6 | -179.3 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | C1935 P1936 K1937 E1947 | C1935-T1939 WeakPolarHBondContact CB-O 3.17Å; P1936-T1939 WeakPolarHBondContact CD-OG1 3.24Å; P1936-T1939 PolarHBondContact O-N 3Å; P1936-T1939 PolarHBondContact O-OG1 3.43Å; K1937-T1939 VanDerWaalsContact C-N 3.28Å; K1937-T1939 PolarHBondContact O-N 2.83Å; T1939-E1947 CarbonylContact C-O 3.57Å; T1939-E1947 WeakPolarHBondContact CA-O 3.06Å; T1939-E1947 WeakPolarHBondContact CB-O 3.2Å |
| 1940 | V | 62.7 | Low | 64 | Low | 45 Ų | 45 | 68.7 Ų | 68.7 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.9 | -179.6 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | K1942 R1945 C1946 E1947 A1949 D1954 | V1940-K1942 PolarHBondContact O-N 3.01Å; V1940-R1945 VanDerWaalsContact O-O 3.06Å; V1940-C1946 WeakPolarHBondContact O-CA 3.43Å; V1940-E1947 PolarHBondContact N-O 3.11Å; V1940-E1947 PolarHBondContact O-N 2.6Å; V1940-A1949 HydrophobicContact CG2-CB 4.46Å; V1940-D1954 HydrophobicContact CG2-CB 3.8Å |
| 1941 | A | 65.4 | Low | 63.3 | Low | 61 Ų | 61 | 64 Ų | 64 | 50% | 0.504 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 65.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1911 R1945 | P1911-A1941 HydrophobicContact CB-CB 3.77Å; A1941-R1945 CarbonylContact C-O 3.48Å; A1941-R1945 VanDerWaalsContact CA-O 3.31Å; A1941-R1945 WeakPolarHBondContact CA-O 3.15Å |
| 1942 | K | 56.6 | Low | 62.2 | Low | 68 Ų | 68 | 67.4 Ų | 67.4 | 30% | 0.296 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 132.5 | 172.4 | -97.3 | 173.1 | 164.6 | 165.4 | 0 | 112.2 | V1940 K1944 R1945 T1951 D1954 | V1940-K1942 PolarHBondContact O-N 3.01Å; K1942-K1944 PolarHBondContact O-N 3.26Å; K1942-R1945 PolarHBondContact N-O 2.79Å; K1942-R1945 CarbonylContact O-C 3.43Å; K1942-R1945 WeakPolarHBondContact O-CA 3.33Å; K1942-R1945 PolarHBondContact O-N 3.2Å; K1942-T1951 PolarHBondContact NZ-OG1 2.66Å; K1942-D1954 WeakPolarHBondContact CE-OD1 3.44Å; K1942-D1954 IonicContact NZ-OD1 2.77Å; K1942-D1954 PolarHBondContact NZ-OD1 3.22Å; K1942-D1954 IonicContact NZ-OD2 2.6Å; K1942-D1954 PolarHBondContact NZ-OD2 2.88Å |
| 1943 | N | 62.7 | Low | 60.9 | Low | 163 Ų | 163 | 68.9 Ų | 68.9 | 87% | 0.872 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 39.5 | 177.2 | -70.5 | -26.9 | 0 | 0 | 0 | 114.8 | R1945 | N1943-R1945 VanDerWaalsContact C-N 3.3Å; N1943-R1945 PolarHBondContact O-N 3.3Å |
| 1944 | K | 60.8 | Low | 59.3 | Low | 108 Ų | 108 | 70 Ų | 70 | 47% | 0.47 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 35 | -174.7 | -63 | -161.3 | 177.2 | -168.8 | 0 | 114 | R1910 P1911 E1913 K1942 | R1910-K1944 HydrophobicContact CB-CB 4Å; R1910-K1944 HydrophobicContact CB-CD 3.99Å; R1910-K1944 HydrophobicContact CB-CG 4.44Å; R1910-K1944 VanDerWaalsContact CD-CD 3.43Å; R1910-K1944 HydrophobicContact CG-CB 4.41Å; R1910-K1944 HydrophobicContact CG-CD 4.34Å; P1911-K1944 WeakPolarHBondContact CD-O 3.41Å; E1913-K1944 IonicContact OE1-NZ 3.43Å; E1913-K1944 PolarHBondContact OE1-NZ 2.86Å; K1942-K1944 PolarHBondContact O-N 3.26Å |
| 1945 | R | 67.1 | Low | 58.5 | Low | 152 Ų | 152 | 70.3 Ų | 70.3 | 57% | 0.574 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.5 | 172 | -142.7 | -179.8 | -168.9 | 129.2 | 2 | 109.6 | V1940 A1941 K1942 N1943 E1947 | V1940-R1945 VanDerWaalsContact O-O 3.06Å; A1941-R1945 CarbonylContact C-O 3.48Å; A1941-R1945 VanDerWaalsContact CA-O 3.31Å; A1941-R1945 WeakPolarHBondContact CA-O 3.15Å; K1942-R1945 PolarHBondContact N-O 2.79Å; K1942-R1945 CarbonylContact O-C 3.43Å; K1942-R1945 WeakPolarHBondContact O-CA 3.33Å; K1942-R1945 PolarHBondContact O-N 3.2Å; N1943-R1945 VanDerWaalsContact C-N 3.3Å; N1943-R1945 PolarHBondContact O-N 3.3Å; R1945-E1947 HydrophobicContact CB-CG 4.3Å; R1945-E1947 PolarHBondContact O-N 3.29Å |
| 1946 | C | 62.8 | Low | 57.9 | Low | 18 Ų | 18 | 69.7 Ų | 69.7 | 12% | 0.122 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 98.1 | 171.5 | -57.6 | 0 | 0 | 0 | 0 | 107.9 | G1924 C1935 V1940 | G1924-C1946 WeakPolarHBondContact O-CA 3.16Å; G1924-C1946 WeakPolarHBondContact O-CB 3.15Å; G1924-C1946 PolarHBondContact O-N 3.37Å; G1924-C1946 PolarHBondContact O-SG 3.11Å; G1924-C1946 VanDerWaalsContact O-SG 3.4Å; C1935-C1946 WeakPolarHBondContact CA-SG 3.37Å; C1935-C1946 HydrophobicContact CB-CB 3.73Å; C1935-C1946 WeakPolarHBondContact CB-SG 3.07Å; C1935-C1946 VanDerWaalsContact SG-CA 3.55Å; C1935-C1946 WeakPolarHBondContact SG-CB 3.04Å; C1935-C1946 CovalentContact SG-SG 2.04Å; C1935-C1946 PolarHBondContact SG-SG 3.21Å; V1940-C1946 WeakPolarHBondContact O-CA 3.43Å |
| 1947 | E | 65.5 | Low | 58.4 | Low | 83 Ų | 83 | 69.7 Ų | 69.7 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 145.3 | 177.7 | -68.4 | 176.1 | 171.7 | 0 | 0 | 108.7 | T1939 V1940 R1945 A1949 | T1939-E1947 CarbonylContact C-O 3.57Å; T1939-E1947 WeakPolarHBondContact CA-O 3.06Å; T1939-E1947 WeakPolarHBondContact CB-O 3.2Å; V1940-E1947 PolarHBondContact N-O 3.11Å; V1940-E1947 PolarHBondContact O-N 2.6Å; R1945-E1947 HydrophobicContact CB-CG 4.3Å; R1945-E1947 PolarHBondContact O-N 3.29Å; E1947-A1949 PolarHBondContact O-N 3.22Å |
| 1948 | A | 56.6 | Low | 59.6 | Low | 57 Ų | 57 | 66.3 Ų | 66.3 | 47% | 0.471 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 135.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | T1950 | A1948-T1950 HydrophobicContact CB-CG2 4.08Å; A1948-T1950 WeakPolarHBondContact O-CG2 3.48Å; A1948-T1950 PolarHBondContact O-N 3.36Å; A1948-T1950 PolarHBondContact O-OG1 3.19Å |
| 1949 | A | 50.2 | Low | 60 | Low | 19 Ų | 19 | 67.3 Ų | 67.3 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | trans | -71.1 | 73.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1938 V1940 E1947 D1954 W1955 | G1938-A1949 PolarHBondContact O-N 3.34Å; V1940-A1949 HydrophobicContact CG2-CB 4.46Å; E1947-A1949 PolarHBondContact O-N 3.22Å; A1949-D1954 HydrophobicContact CB-CB 3.72Å; A1949-W1955 PolarHBondContact O-NE1 2.86Å | ||
| 1950 | T | 50.8 | Low | 60.1 | Low | 118 Ų | 118 | 69.6 Ų | 69.6 | 72% | 0.724 | 39% | 0.391 | S | S | * | . | trans | -95.2 | -12.3 | -167.4 | 41.8 | 0 | 0 | 0 | 0 | 113.2 | A1948 | A1948-T1950 HydrophobicContact CB-CG2 4.08Å; A1948-T1950 WeakPolarHBondContact O-CG2 3.48Å; A1948-T1950 PolarHBondContact O-N 3.36Å; A1948-T1950 PolarHBondContact O-OG1 3.19Å | ||
| 1951 | T | 45.2 | Very low | 60.3 | Low | 63 Ų | 63 | 72.5 Ų | 72.5 | 39% | 0.387 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -112.9 | 139.4 | 171.1 | 63 | 0 | 0 | 0 | 0 | 110.1 | K1942 S1953 D1954 | K1942-T1951 PolarHBondContact NZ-OG1 2.66Å; T1951-S1953 PolarHBondContact O-N 3.04Å; T1951-S1953 PolarHBondContact OG1-OG 2.69Å; T1951-D1954 PolarHBondContact N-OD2 3.23Å; T1951-D1954 VanDerWaalsContact O-CB 3.28Å; T1951-D1954 WeakPolarHBondContact O-CB 3.41Å; T1951-D1954 PolarHBondContact O-N 2.9Å; T1951-D1954 VanDerWaalsContact O-OD2 3.09Å; T1951-D1954 PolarHBondContact OG1-OD2 3.37Å |
| 1952 | L | 41.1 | Very low | 60.6 | Low | 96 Ų | 96 | 70 Ų | 70 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -5.7 | -170.3 | -147.4 | 71.8 | 0 | 0 | 0 | 114.7 | D1954 R1969 | L1952-D1954 VanDerWaalsContact C-N 3.35Å; L1952-R1969 WeakPolarHBondContact O-CD 3.49Å; L1952-R1969 PolarHBondContact O-NH1 3.28Å |
| 1953 | S | 47.8 | Very low | 60.7 | Low | 88 Ų | 88 | 71 Ų | 71 | 62% | 0.615 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.3 | 170.9 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | T1951 | T1951-S1953 PolarHBondContact O-N 3.04Å; T1951-S1953 PolarHBondContact OG1-OG 2.69Å |
| 1954 | D | 46.2 | Very low | 60.1 | Low | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -92.2 | -14.1 | -172.8 | -67 | -40.3 | 0 | 0 | 0 | 114.5 | V1940 K1942 A1949 T1951 L1952 | V1940-D1954 HydrophobicContact CG2-CB 3.8Å; K1942-D1954 WeakPolarHBondContact CE-OD1 3.44Å; K1942-D1954 IonicContact NZ-OD1 2.77Å; K1942-D1954 PolarHBondContact NZ-OD1 3.22Å; K1942-D1954 IonicContact NZ-OD2 2.6Å; K1942-D1954 PolarHBondContact NZ-OD2 2.88Å; A1949-D1954 HydrophobicContact CB-CB 3.72Å; T1951-D1954 PolarHBondContact N-OD2 3.23Å; T1951-D1954 VanDerWaalsContact O-CB 3.28Å; T1951-D1954 WeakPolarHBondContact O-CB 3.41Å; T1951-D1954 PolarHBondContact O-N 2.9Å; T1951-D1954 VanDerWaalsContact O-OD2 3.09Å; T1951-D1954 PolarHBondContact OG1-OD2 3.37Å; L1952-D1954 VanDerWaalsContact C-N 3.35Å |
| 1955 | W | 61.8 | Low | 59.8 | Low | 87 Ų | 87 | 65.7 Ų | 65.7 | 33% | 0.33 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -88.5 | 139.8 | -179.2 | -62.3 | -0.9 | 0 | 0 | 0 | 110.7 | A1949 L1957 R1969 | A1949-W1955 PolarHBondContact O-NE1 2.86Å; W1955-L1957 PolarHBondContact O-N 3.47Å; W1955-R1969 HydrophobicContact CB-CB 3.89Å; W1955-R1969 HydrophobicContact CB-CG 4.32Å |
| 1956 | A | 66.1 | Low | 59.2 | Low | 20 Ų | 20 | 60.6 Ų | 60.6 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -65.1 | 125.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q1960 E1967 C1968 R1969 C1979 | A1956-Q1960 HydrophobicContact CB-CB 4.46Å; A1956-E1967 PolarHBondContact N-O 3.37Å; A1956-C1968 CarbonylContact O-C 2.98Å; A1956-C1968 VanDerWaalsContact O-CA 3.24Å; A1956-C1968 WeakPolarHBondContact O-CA 3.3Å; A1956-R1969 PolarHBondContact O-N 2.88Å; A1956-C1979 WeakPolarHBondContact CB-SG 3.19Å |
| 1957 | L | 78.2 | Confident | 59.1 | Low | 38 Ų | 38 | 65.2 Ų | 65.2 | 20% | 0.199 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 154.1 | -172 | -55.5 | -179.3 | 0 | 0 | 0 | 111.3 | W1955 G1959 Q1960 R1969 C1979 H1990 | W1955-L1957 PolarHBondContact O-N 3.47Å; L1957-G1959 PolarHBondContact O-N 2.04Å; L1957-Q1960 HydrophobicContact CB-CG 4.06Å; L1957-Q1960 VanDerWaalsContact O-CB 3.31Å; L1957-Q1960 WeakPolarHBondContact O-CB 3.22Å; L1957-Q1960 PolarHBondContact O-N 2.84Å; L1957-R1969 HydrophobicContact CD2-CB 3.93Å; L1957-R1969 HydrophobicContact CD2-CG 4.34Å; L1957-C1979 WeakPolarHBondContact O-CB 3.34Å; L1957-H1990 HydrophobicContact CD1-CB 4.42Å; L1957-H1990 HydrophobicContact CD2-CB 4.3Å |
| 1958 | P | 77 | Confident | 59.3 | Low | 13 Ų | 13 | 61.8 Ų | 61.8 | 8% | 0.084 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 126.2 | 170.2 | -24 | 32.7 | 0 | 0 | 0 | 111.2 | C1979 V1987 H1990 | P1958-C1979 CarbonylContact C-O 3.59Å; P1958-C1979 WeakPolarHBondContact CA-O 3.18Å; P1958-V1987 HydrophobicContact CB-CB 4.32Å; P1958-V1987 HydrophobicContact CB-CG1 3.88Å; P1958-V1987 HydrophobicContact CB-CG2 3.47Å; P1958-V1987 VanDerWaalsContact CB-CG2 3.47Å; P1958-V1987 HydrophobicContact CG-CG1 4.3Å; P1958-V1987 HydrophobicContact CG-CG2 4.45Å; P1958-H1990 VanDerWaalsContact CD-O 3.32Å; P1958-H1990 WeakPolarHBondContact CD-O 3.38Å |
| 1959 | G | 65.8 | Low | 60.2 | Low | 53 Ų | 53 | 61.8 Ų | 61.8 | 55% | 0.546 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -5.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1957 C1979 | L1957-G1959 PolarHBondContact O-N 2.04Å; G1959-C1979 PolarHBondContact N-O 3.24Å |
| 1960 | Q | 72.7 | Confident | 61.2 | Low | 86 Ų | 86 | 61.9 Ų | 61.9 | 40% | 0.402 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -86.4 | 150.7 | 173.3 | -70.3 | -176.2 | -21.4 | 0 | 0 | 112.4 | A1956 L1957 C1979 | A1956-Q1960 HydrophobicContact CB-CB 4.46Å; L1957-Q1960 HydrophobicContact CB-CG 4.06Å; L1957-Q1960 VanDerWaalsContact O-CB 3.31Å; L1957-Q1960 WeakPolarHBondContact O-CB 3.22Å; L1957-Q1960 PolarHBondContact O-N 2.84Å; Q1960-C1979 PolarHBondContact O-N 2.92Å |
| 1961 | P | 67 | Low | 62.2 | Low | 107 Ų | 107 | 58.5 Ų | 58.5 | 70% | 0.695 | 36% | 0.362 | S | S | * | . | B | Isolated β-bridge | trans | -68.2 | 144.8 | 173.5 | 29.1 | -35 | 0 | 0 | 0 | 111.8 | S1977 | P1961-S1977 CarbonylContact C-O 3.53Å; P1961-S1977 VanDerWaalsContact CA-O 3.28Å; P1961-S1977 WeakPolarHBondContact CA-O 3.38Å |
| 1962 | C | 71.6 | Confident | 63.7 | Low | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.054 | 35% | 0.347 | C | S | . | . | trans | -137.3 | 143.5 | 179 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | A1966 C1974 S1977 L1978 C1979 | C1962-A1966 HydrophobicContact CB-CB 4.21Å; C1962-C1974 HydrophobicContact CB-CB 3.95Å; C1962-C1974 WeakPolarHBondContact CB-SG 3.47Å; C1962-C1974 WeakPolarHBondContact SG-CA 3.38Å; C1962-C1974 WeakPolarHBondContact SG-CB 3.46Å; C1962-C1974 CovalentContact SG-SG 2.03Å; C1962-C1974 PolarHBondContact SG-SG 3.48Å; C1962-S1977 PolarHBondContact N-O 3.26Å; C1962-S1977 CarbonylContact O-C 3.55Å; C1962-S1977 WeakPolarHBondContact O-CA 3.03Å; C1962-S1977 WeakPolarHBondContact O-CB 3.01Å; C1962-S1977 PolarHBondContact O-OG 3.31Å; C1962-L1978 PolarHBondContact SG-N 2.71Å; C1962-L1978 VanDerWaalsContact SG-N 3.37Å; C1962-C1979 PolarHBondContact SG-N 2.95Å | ||
| 1963 | D | 57.9 | Low | 65.4 | Low | 89 Ų | 89 | 57.7 Ų | 57.7 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | trans | -73.2 | 156.3 | 156.4 | -75.5 | -35 | 0 | 0 | 0 | 108 | K1934 D1965 A1966 C1974 | K1934-D1963 IonicContact NZ-OD1 3.23Å; K1934-D1963 IonicContact NZ-OD2 3.2Å; K1934-D1963 PolarHBondContact NZ-OD2 2.79Å; D1963-D1965 PolarHBondContact O-N 2.87Å; D1963-A1966 PolarHBondContact O-N 3.17Å; D1963-A1966 VanDerWaalsContact O-N 3.07Å; D1963-C1974 PolarHBondContact O-SG 3.4Å | ||
| 1964 | A | 50.8 | Low | 66.5 | Low | 89 Ų | 89 | 55.3 Ų | 55.3 | 74% | 0.736 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 8.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1965 | D | 54.5 | Low | 67.6 | Low | 71 Ų | 71 | 59 Ų | 59 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -3.5 | -168.5 | -76.6 | 5.6 | 0 | 0 | 0 | 112.3 | K1937 D1963 | K1937-D1965 WeakPolarHBondContact CE-OD1 3.09Å; K1937-D1965 WeakPolarHBondContact CE-OD2 3.4Å; K1937-D1965 HydrophobicContact CG-CB 3.79Å; K1937-D1965 IonicContact NZ-OD1 2.8Å; K1937-D1965 PolarHBondContact NZ-OD1 3.02Å; K1937-D1965 IonicContact NZ-OD2 3.19Å; K1937-D1965 PolarHBondContact NZ-OD2 3.1Å; D1963-D1965 PolarHBondContact O-N 2.87Å |
| 1966 | A | 53.3 | Low | 67.7 | Low | 44 Ų | 44 | 58.8 Ų | 58.8 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | trans | -98 | 137.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | C1962 D1963 | C1962-A1966 HydrophobicContact CB-CB 4.21Å; D1963-A1966 PolarHBondContact O-N 3.17Å; D1963-A1966 VanDerWaalsContact O-N 3.07Å | ||
| 1967 | E | 61.1 | Low | 67.5 | Low | 115 Ų | 115 | 61.1 Ų | 61.1 | 54% | 0.537 | 39% | 0.391 | S | S | . | . | trans | -83.8 | 134.4 | 176 | -65 | 179.9 | 151.6 | 0 | 0 | 110.3 | A1956 | A1956-E1967 PolarHBondContact N-O 3.37Š| ||
| 1968 | C | 70.4 | Confident | 66.9 | Low | 12 Ų | 12 | 62.9 Ų | 62.9 | 8% | 0.081 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -104.2 | 146.3 | -174 | -58 | 0 | 0 | 0 | 0 | 111.5 | A1956 S1972 C1974 C1979 | A1956-C1968 CarbonylContact O-C 2.98Å; A1956-C1968 VanDerWaalsContact O-CA 3.24Å; A1956-C1968 WeakPolarHBondContact O-CA 3.3Å; C1968-S1972 WeakPolarHBondContact CB-O 3.06Å; C1968-S1972 WeakPolarHBondContact CB-OG 3.49Å; C1968-C1974 PolarHBondContact SG-N 3.42Å; C1968-C1979 HydrophobicContact CB-CB 3.6Å; C1968-C1979 WeakPolarHBondContact CB-SG 3.04Å; C1968-C1979 VanDerWaalsContact SG-CA 3.51Å; C1968-C1979 WeakPolarHBondContact SG-CB 3.29Å; C1968-C1979 CovalentContact SG-SG 2.04Å; C1968-C1979 PolarHBondContact SG-SG 3.16Å |
| 1969 | R | 75.5 | Confident | 67 | Low | 56 Ų | 56 | 62.3 Ų | 62.3 | 21% | 0.211 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -76.1 | 154.2 | -176.8 | -154 | -169.7 | 156.4 | 153.8 | -17.5 | 112.5 | L1952 W1955 A1956 L1957 G1971 S1972 E1991 | L1952-R1969 WeakPolarHBondContact O-CD 3.49Å; L1952-R1969 PolarHBondContact O-NH1 3.28Å; W1955-R1969 HydrophobicContact CB-CB 3.89Å; W1955-R1969 HydrophobicContact CB-CG 4.32Å; A1956-R1969 PolarHBondContact O-N 2.88Å; L1957-R1969 HydrophobicContact CD2-CB 3.93Å; L1957-R1969 HydrophobicContact CD2-CG 4.34Å; R1969-G1971 VanDerWaalsContact C-N 3.3Å; R1969-G1971 PolarHBondContact O-N 3.27Å; R1969-S1972 PolarHBondContact O-N 2.91Å; R1969-S1972 PolarHBondContact O-OG 3.41Å; R1969-E1991 IonicContact CZ-OE1 3.61Å; R1969-E1991 IonicContact NE-OE1 3.26Å; R1969-E1991 PolarHBondContact NE-OE1 3.4Å; R1969-E1991 IonicContact NH2-OE1 2.72Å; R1969-E1991 PolarHBondContact NH2-OE1 3.44Å |
| 1970 | G | 71.3 | Confident | 67.4 | Low | 21 Ų | 21 | 62.3 Ų | 62.3 | 22% | 0.216 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | 71.5 | 20.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C1992 | G1970-C1992 WeakPolarHBondContact O-CA 3.47Å; G1970-C1992 WeakPolarHBondContact O-CB 3.24Å; G1970-C1992 PolarHBondContact O-N 3.17Å |
| 1971 | G | 71.9 | Confident | 67.6 | Low | 47 Ų | 47 | 59.2 Ų | 59.2 | 49% | 0.485 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | 91.5 | -4.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1969 P1982 | R1969-G1971 VanDerWaalsContact C-N 3.3Å; R1969-G1971 PolarHBondContact O-N 3.27Å; G1971-P1982 VanDerWaalsContact O-CD 3.29Å; G1971-P1982 WeakPolarHBondContact O-CD 3.21Å; G1971-P1982 WeakPolarHBondContact O-CG 3.29Å |
| 1972 | S | 75.7 | Confident | 67.6 | Low | 10 Ų | 10 | 55.9 Ų | 55.9 | 7% | 0.07 | 35% | 0.352 | C | S | . | . | trans | -65.7 | 161.7 | 172.8 | 60 | 0 | 0 | 0 | 0 | 112.9 | C1968 R1969 T1980 | C1968-S1972 WeakPolarHBondContact CB-O 3.06Å; C1968-S1972 WeakPolarHBondContact CB-OG 3.49Å; R1969-S1972 PolarHBondContact O-N 2.91Å; R1969-S1972 PolarHBondContact O-OG 3.41Å; S1972-T1980 CarbonylContact C-O 2.94Å; S1972-T1980 WeakPolarHBondContact CA-O 3.28Å; S1972-T1980 WeakPolarHBondContact CB-O 3.42Å | ||
| 1973 | K | 77.2 | Confident | 66.9 | Low | 133 Ų | 133 | 61.2 Ų | 61.2 | 58% | 0.578 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.8 | -179.1 | -63.2 | -177 | -179.8 | -179.7 | 0 | 110.1 | I1975 T1980 | K1973-I1975 HydrophobicContact CB-CD1 4.45Å; K1973-I1975 HydrophobicContact CB-CG1 4.35Å; K1973-I1975 PolarHBondContact O-N 2.84Å; K1973-T1980 PolarHBondContact N-O 3.36Å; K1973-T1980 PolarHBondContact O-N 2.04Å |
| 1974 | C | 70.8 | Confident | 66.4 | Low | 38 Ų | 38 | 60 Ų | 60 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 112.8 | 174.9 | -170.3 | 0 | 0 | 0 | 0 | 110.3 | C1962 D1963 C1968 | C1962-C1974 HydrophobicContact CB-CB 3.95Å; C1962-C1974 WeakPolarHBondContact CB-SG 3.47Å; C1962-C1974 WeakPolarHBondContact SG-CA 3.38Å; C1962-C1974 WeakPolarHBondContact SG-CB 3.46Å; C1962-C1974 CovalentContact SG-SG 2.03Å; C1962-C1974 PolarHBondContact SG-SG 3.48Å; D1963-C1974 PolarHBondContact O-SG 3.4Å; C1968-C1974 PolarHBondContact SG-N 3.42Å |
| 1975 | I | 69.4 | Low | 67.3 | Low | 103 Ų | 103 | 58.5 Ų | 58.5 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 127.4 | -179.7 | -59.2 | 177.3 | 0 | 0 | 0 | 107.6 | K1973 S1977 L1978 | K1973-I1975 HydrophobicContact CB-CD1 4.45Å; K1973-I1975 HydrophobicContact CB-CG1 4.35Å; K1973-I1975 PolarHBondContact O-N 2.84Å; I1975-S1977 PolarHBondContact O-N 3.2Å; I1975-L1978 PolarHBondContact N-O 2.64Å; I1975-L1978 PolarHBondContact O-N 2.69Å; I1975-L1978 VanDerWaalsContact O-O 3.06Å |
| 1976 | G | 63.1 | Low | 67.5 | Low | 82 Ų | 82 | 55.7 Ų | 55.7 | 85% | 0.845 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 31.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1978 | G1976-L1978 VanDerWaalsContact C-N 3.3Å; G1976-L1978 PolarHBondContact O-N 2.96Å |
| 1977 | S | 61.4 | Low | 68.4 | Low | 68 Ų | 68 | 56.8 Ų | 56.8 | 48% | 0.476 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 25.5 | -170.8 | -73.3 | 0 | 0 | 0 | 0 | 116 | P1961 C1962 I1975 | P1961-S1977 CarbonylContact C-O 3.53Å; P1961-S1977 VanDerWaalsContact CA-O 3.28Å; P1961-S1977 WeakPolarHBondContact CA-O 3.38Å; C1962-S1977 PolarHBondContact N-O 3.26Å; C1962-S1977 CarbonylContact O-C 3.55Å; C1962-S1977 WeakPolarHBondContact O-CA 3.03Å; C1962-S1977 WeakPolarHBondContact O-CB 3.01Å; C1962-S1977 PolarHBondContact O-OG 3.31Å; I1975-S1977 PolarHBondContact O-N 3.2Å |
| 1978 | L | 66.4 | Low | 68.1 | Low | 76 Ų | 76 | 54.8 Ų | 54.8 | 40% | 0.398 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.6 | 171.8 | -158.1 | 78.5 | 0 | 0 | 0 | 111.8 | C1962 I1975 G1976 T1980 | C1962-L1978 PolarHBondContact SG-N 2.71Å; C1962-L1978 VanDerWaalsContact SG-N 3.37Å; I1975-L1978 PolarHBondContact N-O 2.64Å; I1975-L1978 PolarHBondContact O-N 2.69Å; I1975-L1978 VanDerWaalsContact O-O 3.06Å; G1976-L1978 VanDerWaalsContact C-N 3.3Å; G1976-L1978 PolarHBondContact O-N 2.96Å; L1978-T1980 PolarHBondContact O-N 2.89Å; L1978-T1980 VanDerWaalsContact O-N 3.11Å; L1978-T1980 PolarHBondContact O-OG1 3.2Å |
| 1979 | C | 78.3 | Confident | 67.4 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 105.6 | 172.9 | -75.9 | 0 | 0 | 0 | 0 | 109.9 | A1956 L1957 P1958 G1959 Q1960 C1962 C1968 | A1956-C1979 WeakPolarHBondContact CB-SG 3.19Å; L1957-C1979 WeakPolarHBondContact O-CB 3.34Å; P1958-C1979 CarbonylContact C-O 3.59Å; P1958-C1979 WeakPolarHBondContact CA-O 3.18Å; G1959-C1979 PolarHBondContact N-O 3.24Å; Q1960-C1979 PolarHBondContact O-N 2.92Å; C1962-C1979 PolarHBondContact SG-N 2.95Å; C1968-C1979 HydrophobicContact CB-CB 3.6Å; C1968-C1979 WeakPolarHBondContact CB-SG 3.04Å; C1968-C1979 VanDerWaalsContact SG-CA 3.51Å; C1968-C1979 WeakPolarHBondContact SG-CB 3.29Å; C1968-C1979 CovalentContact SG-SG 2.04Å; C1968-C1979 PolarHBondContact SG-SG 3.16Å |
| 1980 | T | 75 | Confident | 66.7 | Low | 54 Ų | 54 | 64 Ų | 64 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.2 | -168.2 | -51.6 | 0 | 0 | 0 | 0 | 110 | S1972 K1973 L1978 | S1972-T1980 CarbonylContact C-O 2.94Å; S1972-T1980 WeakPolarHBondContact CA-O 3.28Å; S1972-T1980 WeakPolarHBondContact CB-O 3.42Å; K1973-T1980 PolarHBondContact N-O 3.36Å; K1973-T1980 PolarHBondContact O-N 2.04Å; L1978-T1980 PolarHBondContact O-N 2.89Å; L1978-T1980 VanDerWaalsContact O-N 3.11Å; L1978-T1980 PolarHBondContact O-OG1 3.2Å |
| 1981 | C | 76.3 | Confident | 66.4 | Low | 21 Ų | 21 | 66.8 Ų | 66.8 | 14% | 0.142 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 152.6 | 178.3 | -70.5 | 0 | 0 | 0 | 0 | 112 | Q1985 C1992 | C1981-Q1985 HydrophobicContact CB-CB 4.34Å; C1981-Q1985 WeakPolarHBondContact CB-O 3.37Å; C1981-C1992 WeakPolarHBondContact CA-SG 3.41Å; C1981-C1992 HydrophobicContact CB-CB 3.8Å; C1981-C1992 WeakPolarHBondContact CB-SG 3.36Å; C1981-C1992 WeakPolarHBondContact SG-CB 3.34Å; C1981-C1992 CovalentContact SG-SG 2.04Å; C1981-C1992 PolarHBondContact SG-SG 3.37Å |
| 1982 | P | 68.4 | Low | 66 | Low | 36 Ų | 36 | 65.1 Ų | 65.1 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 157.8 | 172.8 | -23.4 | 35.3 | 0 | 0 | 0 | 111.9 | G1971 N1984 Q1985 | G1971-P1982 VanDerWaalsContact O-CD 3.29Å; G1971-P1982 WeakPolarHBondContact O-CD 3.21Å; G1971-P1982 WeakPolarHBondContact O-CG 3.29Å; P1982-N1984 PolarHBondContact O-N 2.65Å; P1982-Q1985 PolarHBondContact O-N 2.94Å |
| 1983 | V | 55.9 | Low | 65.4 | Low | 121 Ų | 121 | 66.2 Ų | 66.2 | 73% | 0.733 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 128.1 | 172.2 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1984 | N | 48.6 | Very low | 64.3 | Low | 63 Ų | 63 | 64.8 Ų | 64.8 | 34% | 0.337 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 30.3 | -173.3 | -64.3 | -14 | 0 | 0 | 0 | 116.4 | P1982 I2010 C2011 | P1982-N1984 PolarHBondContact O-N 2.65Å; N1984-I2010 HydrophobicContact CB-CB 4.49Å; N1984-I2010 HydrophobicContact CB-CD1 4.46Å; N1984-I2010 HydrophobicContact CB-CG1 4.04Å; N1984-I2010 HydrophobicContact CB-CG2 4.01Å; N1984-I2010 WeakPolarHBondContact O-CD1 3.42Å; N1984-I2010 VanDerWaalsContact O-CG1 3.25Å; N1984-I2010 WeakPolarHBondContact O-CG1 3.36Å; N1984-C2011 PolarHBondContact ND2-O 2.87Å; N1984-C2011 PolarHBondContact OD1-N 2.83Å; N1984-C2011 PolarHBondContact OD1-O 2.95Å |
| 1985 | Q | 67.8 | Low | 63.1 | Low | 57 Ų | 57 | 63.2 Ų | 63.2 | 27% | 0.266 | 37% | 0.37 | S | S | . | . | trans | -136.7 | 152.7 | 163.1 | -64.8 | -171.6 | -40 | 0 | 0 | 111.7 | C1981 P1982 C1992 A1993 D1994 | C1981-Q1985 HydrophobicContact CB-CB 4.34Å; C1981-Q1985 WeakPolarHBondContact CB-O 3.37Å; P1982-Q1985 PolarHBondContact O-N 2.94Å; Q1985-C1992 HydrophobicContact CB-CB 3.94Å; Q1985-A1993 WeakPolarHBondContact CA-O 3.34Å; Q1985-D1994 WeakPolarHBondContact CG-OD1 3.32Å; Q1985-D1994 PolarHBondContact NE2-OD1 3.33Å | ||
| 1986 | V | 60.7 | Low | 62.3 | Low | 12 Ų | 12 | 66.9 Ų | 66.9 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 158.4 | -170.3 | -49.7 | 0 | 0 | 0 | 0 | 112 | I1988 C1992 A1993 A1995 A2007 N2008 | V1986-I1988 HydrophobicContact CG2-CD1 4.43Å; V1986-I1988 HydrophobicContact CG2-CG1 4.22Å; V1986-I1988 PolarHBondContact O-N 3.24Å; V1986-C1992 CarbonylContact O-C 3.51Å; V1986-C1992 WeakPolarHBondContact O-CA 3.07Å; V1986-A1993 PolarHBondContact N-O 3.46Å; V1986-A1993 PolarHBondContact O-N 3.14Å; V1986-A1995 HydrophobicContact CB-CB 4.2Å; V1986-A1995 HydrophobicContact CG1-CB 3.79Å; V1986-A1995 HydrophobicContact CG2-CB 3.36Å; V1986-A2007 VanDerWaalsContact CG1-O 3.24Å; V1986-A2007 WeakPolarHBondContact CG1-O 3.43Å; V1986-N2008 HydrophobicContact CG2-CB 4.44Å |
| 1987 | V | 70.7 | Confident | 61.7 | Low | 68 Ų | 68 | 67.1 Ų | 67.1 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 105.8 | -169.9 | -167.7 | 0 | 0 | 0 | 0 | 111.3 | P1958 | P1958-V1987 HydrophobicContact CB-CB 4.32Å; P1958-V1987 HydrophobicContact CB-CG1 3.88Å; P1958-V1987 HydrophobicContact CB-CG2 3.47Å; P1958-V1987 VanDerWaalsContact CB-CG2 3.47Å; P1958-V1987 HydrophobicContact CG-CG1 4.3Å; P1958-V1987 HydrophobicContact CG-CG2 4.45Å |
| 1988 | I | 56.1 | Low | 61.5 | Low | 72 Ų | 72 | 68.5 Ų | 68.5 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122.4 | 171.9 | -54.9 | -173.7 | 0 | 0 | 0 | 107.9 | V1986 H1990 E1991 A1993 | V1986-I1988 HydrophobicContact CG2-CD1 4.43Å; V1986-I1988 HydrophobicContact CG2-CG1 4.22Å; V1986-I1988 PolarHBondContact O-N 3.24Å; I1988-H1990 PolarHBondContact O-N 3.23Å; I1988-H1990 VanDerWaalsContact O-N 3.16Å; I1988-E1991 PolarHBondContact N-O 3.13Å; I1988-E1991 PolarHBondContact O-N 2.88Å; I1988-E1991 VanDerWaalsContact O-O 3.06Å; I1988-A1993 HydrophobicContact CB-CB 4.06Å; I1988-A1993 HydrophobicContact CD1-CB 3.9Å; I1988-A1993 HydrophobicContact CG1-CB 4.06Å |
| 1989 | N | 55.4 | Low | 61.9 | Low | 150 Ų | 150 | 65.5 Ų | 65.5 | 80% | 0.802 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 42.1 | 179.9 | -62 | -20.7 | 0 | 0 | 0 | 114.2 | E1991 | N1989-E1991 VanDerWaalsContact C-N 3.32Å; N1989-E1991 PolarHBondContact O-N 3.09Å |
| 1990 | H | 60 | Low | 62 | Low | 112 Ų | 112 | 70.6 Ų | 70.6 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 12.9 | -177.9 | -54.3 | -67 | 0 | 0 | 0 | 117.1 | L1957 P1958 I1988 | L1957-H1990 HydrophobicContact CD1-CB 4.42Å; L1957-H1990 HydrophobicContact CD2-CB 4.3Å; P1958-H1990 VanDerWaalsContact CD-O 3.32Å; P1958-H1990 WeakPolarHBondContact CD-O 3.38Å; I1988-H1990 PolarHBondContact O-N 3.23Å; I1988-H1990 VanDerWaalsContact O-N 3.16Å |
| 1991 | E | 64.8 | Low | 62.2 | Low | 80 Ų | 80 | 68.1 Ų | 68.1 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.8 | 172.2 | -58.3 | -170.2 | 168 | 0 | 0 | 110.9 | R1969 I1988 N1989 A1993 | R1969-E1991 IonicContact CZ-OE1 3.61Å; R1969-E1991 IonicContact NE-OE1 3.26Å; R1969-E1991 PolarHBondContact NE-OE1 3.4Å; R1969-E1991 IonicContact NH2-OE1 2.72Å; R1969-E1991 PolarHBondContact NH2-OE1 3.44Å; I1988-E1991 PolarHBondContact N-O 3.13Å; I1988-E1991 PolarHBondContact O-N 2.88Å; I1988-E1991 VanDerWaalsContact O-O 3.06Å; N1989-E1991 VanDerWaalsContact C-N 3.32Å; N1989-E1991 PolarHBondContact O-N 3.09Å; E1991-A1993 PolarHBondContact O-N 3.05Å; E1991-A1993 VanDerWaalsContact O-N 3.09Å |
| 1992 | C | 64.2 | Low | 62.1 | Low | 12 Ų | 12 | 69.3 Ų | 69.3 | 8% | 0.081 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 90.9 | 179 | -58.4 | 0 | 0 | 0 | 0 | 108.7 | G1970 C1981 Q1985 V1986 | G1970-C1992 WeakPolarHBondContact O-CA 3.47Å; G1970-C1992 WeakPolarHBondContact O-CB 3.24Å; G1970-C1992 PolarHBondContact O-N 3.17Å; C1981-C1992 WeakPolarHBondContact CA-SG 3.41Å; C1981-C1992 HydrophobicContact CB-CB 3.8Å; C1981-C1992 WeakPolarHBondContact CB-SG 3.36Å; C1981-C1992 WeakPolarHBondContact SG-CB 3.34Å; C1981-C1992 CovalentContact SG-SG 2.04Å; C1981-C1992 PolarHBondContact SG-SG 3.37Å; Q1985-C1992 HydrophobicContact CB-CB 3.94Å; V1986-C1992 CarbonylContact O-C 3.51Å; V1986-C1992 WeakPolarHBondContact O-CA 3.07Å |
| 1993 | A | 62.8 | Low | 62.8 | Low | 32 Ų | 32 | 73.9 Ų | 73.9 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 152 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q1985 V1986 I1988 E1991 A1995 | Q1985-A1993 WeakPolarHBondContact CA-O 3.34Å; V1986-A1993 PolarHBondContact N-O 3.46Å; V1986-A1993 PolarHBondContact O-N 3.14Å; I1988-A1993 HydrophobicContact CB-CB 4.06Å; I1988-A1993 HydrophobicContact CD1-CB 3.9Å; I1988-A1993 HydrophobicContact CG1-CB 4.06Å; E1991-A1993 PolarHBondContact O-N 3.05Å; E1991-A1993 VanDerWaalsContact O-N 3.09Å; A1993-A1995 PolarHBondContact O-N 2.89Å; A1993-A1995 VanDerWaalsContact O-N 3.16Å |
| 1994 | D | 54.6 | Low | 63.7 | Low | 104 Ų | 104 | 71.8 Ų | 71.8 | 56% | 0.556 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 116.5 | 160.2 | -65.7 | -19.1 | 0 | 0 | 0 | 107.2 | Q1985 H1996 I2010 | Q1985-D1994 WeakPolarHBondContact CG-OD1 3.32Å; Q1985-D1994 PolarHBondContact NE2-OD1 3.33Å; D1994-H1996 PolarHBondContact O-N 2.91Å; D1994-H1996 VanDerWaalsContact O-N 3.14Å; D1994-I2010 HydrophobicContact CB-CD1 4.12Å |
| 1995 | A | 45.2 | Very low | 65 | Low | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.033 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 120 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1986 A1993 V1997 N2008 I2010 | V1986-A1995 HydrophobicContact CB-CB 4.2Å; V1986-A1995 HydrophobicContact CG1-CB 3.79Å; V1986-A1995 HydrophobicContact CG2-CB 3.36Å; A1993-A1995 PolarHBondContact O-N 2.89Å; A1993-A1995 VanDerWaalsContact O-N 3.16Å; A1995-V1997 PolarHBondContact O-N 2.87Å; A1995-N2008 VanDerWaalsContact CB-O 3.22Å; A1995-N2008 WeakPolarHBondContact CB-O 3.41Å; A1995-I2010 HydrophobicContact CB-CD1 4.21Å; A1995-I2010 HydrophobicContact CB-CG1 3.8Å; A1995-I2010 VanDerWaalsContact N-CD1 3.3Å |
| 1996 | H | 51.8 | Low | 65.2 | Low | 180 Ų | 180 | 71 Ų | 71 | 83% | 0.833 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -61.2 | -10.9 | -178.4 | -79.7 | -85.3 | 0 | 0 | 0 | 114 | D1994 | D1994-H1996 PolarHBondContact O-N 2.91Å; D1994-H1996 VanDerWaalsContact O-N 3.14Å |
| 1997 | V | 50.5 | Low | 64.8 | Low | 88 Ų | 88 | 74.8 Ų | 74.8 | 53% | 0.533 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 91.6 | 171.6 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | A1995 V1999 I2010 | A1995-V1997 PolarHBondContact O-N 2.87Å; V1997-V1999 HydrophobicContact CG1-CG2 3.99Å; V1997-V1999 PolarHBondContact O-N 3.42Å; V1997-I2010 PolarHBondContact O-N 2.04Å |
| 1998 | T | 58.7 | Low | 64 | Low | 96 Ų | 96 | 75.5 Ų | 75.5 | 59% | 0.589 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 108.6 | 172.1 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | I2010 T2012 | T1998-I2010 HydrophobicContact CG2-CB 4.27Å; T1998-I2010 HydrophobicContact CG2-CG2 4.17Å; T1998-T2012 HydrophobicContact CG2-CG2 4.27Å |
| 1999 | V | 74.8 | Confident | 64.8 | Low | 13 Ų | 13 | 72.8 Ų | 72.8 | 8% | 0.079 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 142.5 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | V1997 A2004 C2005 I2010 T2012 C2022 | V1997-V1999 HydrophobicContact CG1-CG2 3.99Å; V1997-V1999 PolarHBondContact O-N 3.42Å; V1999-A2004 VanDerWaalsContact CG1-O 3.27Å; V1999-A2004 WeakPolarHBondContact CG1-O 3.29Å; V1999-C2005 HydrophobicContact CG1-CB 4.38Å; V1999-I2010 WeakPolarHBondContact CA-O 3.23Å; V1999-I2010 PolarHBondContact N-O 3.09Å; V1999-I2010 VanDerWaalsContact O-O 3.12Å; V1999-T2012 PolarHBondContact O-N 2.79Å; V1999-T2012 PolarHBondContact O-OG1 2.98Å; V1999-C2022 HydrophobicContact CG1-CB 4.37Å; V1999-C2022 WeakPolarHBondContact CG1-SG 3.35Å |
| 2000 | K | 80.2 | Confident | 65.4 | Low | 107 Ų | 107 | 66.6 Ų | 66.6 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -94.6 | 154.8 | 179.2 | -71.5 | 177.7 | -177.9 | 178.3 | 0 | 111.2 | G2002 Y2003 T2012 H2033 | K2000-G2002 PolarHBondContact O-N 3.43Å; K2000-Y2003 HydrophobicContact CB-CD2 3.78Å; K2000-Y2003 HydrophobicContact CB-CE2 4.09Å; K2000-Y2003 PolarHBondContact O-N 3.44Å; K2000-Y2003 VanDerWaalsContact O-N 3.07Å; K2000-T2012 WeakPolarHBondContact CA-OG1 3.47Å; K2000-H2033 HydrophobicContact CB-CB 4.13Å; K2000-H2033 HydrophobicContact CD-CB 4.07Å; K2000-H2033 HydrophobicContact CG-CB 4.33Å |
| 2001 | P | 79.1 | Confident | 66 | Low | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 130.8 | 173 | -21.1 | 28.1 | 0 | 0 | 0 | 111.3 | T2012 S2015 C2022 I2030 H2033 | P2001-T2012 WeakPolarHBondContact CD-O 3.36Å; P2001-T2012 WeakPolarHBondContact CG-O 3.4Å; P2001-S2015 WeakPolarHBondContact CG-OG 3.46Å; P2001-C2022 WeakPolarHBondContact CA-O 3.38Å; P2001-I2030 HydrophobicContact CB-CB 4.46Å; P2001-I2030 HydrophobicContact CB-CD1 3.94Å; P2001-I2030 HydrophobicContact CB-CG1 3.77Å; P2001-I2030 HydrophobicContact CB-CG2 3.91Å; P2001-H2033 VanDerWaalsContact CD-O 3.24Å; P2001-H2033 WeakPolarHBondContact CD-O 3.2Å; P2001-H2033 VanDerWaalsContact CG-O 3.28Å; P2001-H2033 WeakPolarHBondContact CG-O 3.04Å |
| 2002 | G | 74.1 | Confident | 66.7 | Low | 47 Ų | 47 | 59.7 Ų | 59.7 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -14.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K2000 C2022 | K2000-G2002 PolarHBondContact O-N 3.43Å; G2002-C2022 PolarHBondContact N-O 3.39Å |
| 2003 | Y | 82.1 | Confident | 67.1 | Low | 131 Ų | 131 | 60 Ų | 60 | 51% | 0.514 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -95.2 | 156.6 | 178.6 | -69.4 | -89.6 | 0 | 0 | 0 | 112.9 | K2000 V2021 C2022 H2033 | K2000-Y2003 HydrophobicContact CB-CD2 3.78Å; K2000-Y2003 HydrophobicContact CB-CE2 4.09Å; K2000-Y2003 PolarHBondContact O-N 3.44Å; K2000-Y2003 VanDerWaalsContact O-N 3.07Å; Y2003-V2021 WeakPolarHBondContact O-CA 3.47Å; Y2003-V2021 WeakPolarHBondContact O-CG1 3.48Å; Y2003-C2022 PolarHBondContact O-N 2.85Å; Y2003-H2033 AromaticContact CE2-CE1 3.57Å; Y2003-H2033 AromaticContact CE2-ND1 3.99Å |
| 2004 | A | 75.1 | Confident | 67.5 | Low | 78 Ų | 78 | 61 Ų | 61 | 65% | 0.645 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -63.9 | 140.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1999 G2020 | V1999-A2004 VanDerWaalsContact CG1-O 3.27Å; V1999-A2004 WeakPolarHBondContact CG1-O 3.29Å; A2004-G2020 CarbonylContact C-O 3.53Å; A2004-G2020 VanDerWaalsContact CA-O 3.23Å; A2004-G2020 WeakPolarHBondContact CA-O 3.49Å |
| 2005 | C | 76.6 | Confident | 68.8 | Low | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | trans | -135.8 | 139.8 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | V1999 C2017 G2020 V2021 C2022 | V1999-C2005 HydrophobicContact CG1-CB 4.38Å; C2005-C2017 HydrophobicContact CB-CB 4.02Å; C2005-C2017 WeakPolarHBondContact CB-SG 3.11Å; C2005-C2017 WeakPolarHBondContact SG-CA 3.3Å; C2005-C2017 WeakPolarHBondContact SG-CB 3.23Å; C2005-C2017 CovalentContact SG-SG 2.04Å; C2005-C2017 PolarHBondContact SG-SG 2.78Å; C2005-G2020 PolarHBondContact N-O 2.84Å; C2005-G2020 CarbonylContact O-C 3.54Å; C2005-G2020 WeakPolarHBondContact O-CA 3.15Å; C2005-G2020 VanDerWaalsContact SG-C 3.58Å; C2005-V2021 VanDerWaalsContact SG-CA 3.52Å; C2005-V2021 PolarHBondContact SG-N 2.98Å; C2005-V2021 VanDerWaalsContact SG-N 3.37Å; C2005-C2022 PolarHBondContact SG-N 3.49Å; C2005-C2022 VanDerWaalsContact SG-N 3.41Å | ||
| 2006 | D | 71.1 | Confident | 69.8 | Low | 93 Ų | 93 | 59.2 Ų | 59.2 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | trans | -105.5 | -169.6 | 173 | 68.3 | -4.1 | 0 | 0 | 0 | 111 | N2008 S2009 | D2006-N2008 PolarHBondContact O-N 3.18Å; D2006-N2008 VanDerWaalsContact O-N 3.17Å; D2006-N2008 VanDerWaalsContact OD1-CA 3.29Å; D2006-N2008 WeakPolarHBondContact OD1-CA 3.26Å; D2006-N2008 PolarHBondContact OD1-N 3.07Å; D2006-S2009 PolarHBondContact N-OG 2.91Å; D2006-S2009 VanDerWaalsContact N-OG 3.13Å; D2006-S2009 PolarHBondContact O-N 2.03Å; D2006-S2009 WeakPolarHBondContact OD1-CB 3.48Å; D2006-S2009 PolarHBondContact OD1-N 3.19Å; D2006-S2009 VanDerWaalsContact OD1-N 3.15Å; D2006-S2009 PolarHBondContact OD1-OG 2.82Å | ||
| 2007 | A | 53 | Low | 71 | Confident | 90 Ų | 90 | 53.6 Ų | 53.6 | 74% | 0.744 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -9.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1986 | V1986-A2007 VanDerWaalsContact CG1-O 3.24Å; V1986-A2007 WeakPolarHBondContact CG1-O 3.43Å |
| 2008 | N | 54.7 | Low | 71.5 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 23.4 | -177 | -72.4 | -19.2 | 0 | 0 | 0 | 112.5 | V1986 A1995 D2006 | V1986-N2008 HydrophobicContact CG2-CB 4.44Å; A1995-N2008 VanDerWaalsContact CB-O 3.22Å; A1995-N2008 WeakPolarHBondContact CB-O 3.41Å; D2006-N2008 PolarHBondContact O-N 3.18Å; D2006-N2008 VanDerWaalsContact O-N 3.17Å; D2006-N2008 VanDerWaalsContact OD1-CA 3.29Å; D2006-N2008 WeakPolarHBondContact OD1-CA 3.26Å; D2006-N2008 PolarHBondContact OD1-N 3.07Å |
| 2009 | S | 72.3 | Confident | 71.7 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.5 | -172.1 | -71.1 | 0 | 0 | 0 | 0 | 113.4 | D2006 | D2006-S2009 PolarHBondContact N-OG 2.91Å; D2006-S2009 VanDerWaalsContact N-OG 3.13Å; D2006-S2009 PolarHBondContact O-N 2.03Å; D2006-S2009 WeakPolarHBondContact OD1-CB 3.48Å; D2006-S2009 PolarHBondContact OD1-N 3.19Å; D2006-S2009 VanDerWaalsContact OD1-N 3.15Å; D2006-S2009 PolarHBondContact OD1-OG 2.82Å |
| 2010 | I | 67.3 | Low | 71.4 | Confident | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.6 | 171.3 | -77.8 | 179.4 | 0 | 0 | 0 | 110.2 | N1984 D1994 A1995 V1997 T1998 V1999 T2012 | N1984-I2010 HydrophobicContact CB-CB 4.49Å; N1984-I2010 HydrophobicContact CB-CD1 4.46Å; N1984-I2010 HydrophobicContact CB-CG1 4.04Å; N1984-I2010 HydrophobicContact CB-CG2 4.01Å; N1984-I2010 WeakPolarHBondContact O-CD1 3.42Å; N1984-I2010 VanDerWaalsContact O-CG1 3.25Å; N1984-I2010 WeakPolarHBondContact O-CG1 3.36Å; D1994-I2010 HydrophobicContact CB-CD1 4.12Å; A1995-I2010 HydrophobicContact CB-CD1 4.21Å; A1995-I2010 HydrophobicContact CB-CG1 3.8Å; A1995-I2010 VanDerWaalsContact N-CD1 3.3Å; V1997-I2010 PolarHBondContact O-N 2.04Å; T1998-I2010 HydrophobicContact CG2-CB 4.27Å; T1998-I2010 HydrophobicContact CG2-CG2 4.17Å; V1999-I2010 WeakPolarHBondContact CA-O 3.23Å; V1999-I2010 PolarHBondContact N-O 3.09Å; V1999-I2010 VanDerWaalsContact O-O 3.12Å; I2010-T2012 HydrophobicContact CG2-CG2 4.04Å |
| 2011 | C | 73.3 | Confident | 71.2 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 115.3 | 170.5 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | N1984 S2015 C2017 C2022 | N1984-C2011 PolarHBondContact ND2-O 2.87Å; N1984-C2011 PolarHBondContact OD1-N 2.83Å; N1984-C2011 PolarHBondContact OD1-O 2.95Å; C2011-S2015 VanDerWaalsContact CB-O 3.25Å; C2011-S2015 WeakPolarHBondContact CB-O 3.18Å; C2011-C2017 WeakPolarHBondContact SG-CA 3.34Å; C2011-C2017 VanDerWaalsContact SG-CB 3.54Å; C2011-C2017 PolarHBondContact SG-N 2.64Å; C2011-C2022 WeakPolarHBondContact CA-SG 3.07Å; C2011-C2022 HydrophobicContact CB-CB 3.82Å; C2011-C2022 WeakPolarHBondContact CB-SG 3.3Å; C2011-C2022 WeakPolarHBondContact SG-CA 3.03Å; C2011-C2022 WeakPolarHBondContact SG-CB 3.11Å; C2011-C2022 CovalentContact SG-SG 2.04Å; C2011-C2022 PolarHBondContact SG-SG 3.36Å |
| 2012 | T | 79.2 | Confident | 71.2 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 28% | 0.276 | 35% | 0.348 | S | S | . | . | trans | -88.6 | -178.3 | 178.5 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | T1998 V1999 K2000 P2001 I2010 G2014 S2015 | T1998-T2012 HydrophobicContact CG2-CG2 4.27Å; V1999-T2012 PolarHBondContact O-N 2.79Å; V1999-T2012 PolarHBondContact O-OG1 2.98Å; K2000-T2012 WeakPolarHBondContact CA-OG1 3.47Å; P2001-T2012 WeakPolarHBondContact CD-O 3.36Å; P2001-T2012 WeakPolarHBondContact CG-O 3.4Å; I2010-T2012 HydrophobicContact CG2-CG2 4.04Å; T2012-G2014 VanDerWaalsContact C-N 3.25Å; T2012-G2014 PolarHBondContact O-N 2.66Å; T2012-G2014 VanDerWaalsContact O-N 3.12Å; T2012-S2015 PolarHBondContact O-N 2.8Å; T2012-S2015 VanDerWaalsContact O-N 3.17Å; T2012-S2015 PolarHBondContact O-OG 3.48Å | ||
| 2013 | G | 73.4 | Confident | 71.6 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 10.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | H2034 C2035 | G2013-H2034 CarbonylContact O-C 3.55Å; G2013-H2034 WeakPolarHBondContact O-CA 3.38Å; G2013-C2035 PolarHBondContact O-N 3.41Å |
| 2014 | G | 71.3 | Confident | 71.3 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 14.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T2012 P2025 C2035 | T2012-G2014 VanDerWaalsContact C-N 3.25Å; T2012-G2014 PolarHBondContact O-N 2.66Å; T2012-G2014 VanDerWaalsContact O-N 3.12Å; G2014-P2025 WeakPolarHBondContact O-CD 3.36Å; G2014-C2035 VanDerWaalsContact C-SG 3.6Å |
| 2015 | S | 80.3 | Confident | 70.9 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | trans | -94.9 | 161.7 | 173.2 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | P2001 C2011 T2012 C2022 R2023 | P2001-S2015 WeakPolarHBondContact CG-OG 3.46Å; C2011-S2015 VanDerWaalsContact CB-O 3.25Å; C2011-S2015 WeakPolarHBondContact CB-O 3.18Å; T2012-S2015 PolarHBondContact O-N 2.8Å; T2012-S2015 VanDerWaalsContact O-N 3.17Å; T2012-S2015 PolarHBondContact O-OG 3.48Å; S2015-C2022 WeakPolarHBondContact OG-CB 3.08Å; S2015-R2023 CarbonylContact C-O 3.53Å; S2015-R2023 VanDerWaalsContact CA-O 3.27Å; S2015-R2023 WeakPolarHBondContact CA-O 3.49Å; S2015-R2023 VanDerWaalsContact CB-O 3.3Å; S2015-R2023 WeakPolarHBondContact CB-O 3.32Å | ||
| 2016 | T | 66.8 | Low | 69.6 | Low | 66 Ų | 66 | 56.2 Ų | 56.2 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 147.1 | 175.6 | 43.3 | 0 | 0 | 0 | 0 | 110.9 | S2018 C2022 R2023 | T2016-S2018 PolarHBondContact O-N 3.05Å; T2016-S2018 VanDerWaalsContact O-N 3.11Å; T2016-C2022 WeakPolarHBondContact O-CA 3.01Å; T2016-R2023 PolarHBondContact N-O 2.92Å; T2016-R2023 PolarHBondContact O-N 3.45Å |
| 2017 | C | 76.8 | Confident | 68.6 | Low | 61 Ų | 61 | 54.2 Ų | 54.2 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 107.7 | 178 | -168 | 0 | 0 | 0 | 0 | 109 | C2005 C2011 | C2005-C2017 HydrophobicContact CB-CB 4.02Å; C2005-C2017 WeakPolarHBondContact CB-SG 3.11Å; C2005-C2017 WeakPolarHBondContact SG-CA 3.3Å; C2005-C2017 WeakPolarHBondContact SG-CB 3.23Å; C2005-C2017 CovalentContact SG-SG 2.04Å; C2005-C2017 PolarHBondContact SG-SG 2.78Å; C2011-C2017 WeakPolarHBondContact SG-CA 3.34Å; C2011-C2017 VanDerWaalsContact SG-CB 3.54Å; C2011-C2017 PolarHBondContact SG-N 2.64Å |
| 2018 | S | 61.2 | Low | 69.4 | Low | 57 Ų | 57 | 53.7 Ų | 53.7 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120.6 | -178.7 | -178.3 | 0 | 0 | 0 | 0 | 108 | T2016 G2020 V2021 R2023 | T2016-S2018 PolarHBondContact O-N 3.05Å; T2016-S2018 VanDerWaalsContact O-N 3.11Å; S2018-G2020 PolarHBondContact O-N 3.48Å; S2018-V2021 PolarHBondContact N-O 2.87Å; S2018-V2021 PolarHBondContact O-N 2.93Å; S2018-V2021 VanDerWaalsContact O-O 3.05Å; S2018-R2023 PolarHBondContact O-NH1 2.98Å |
| 2019 | S | 62.8 | Low | 69.6 | Low | 110 Ų | 110 | 51.6 Ų | 51.6 | 77% | 0.769 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 54.7 | -178.4 | -44.9 | 0 | 0 | 0 | 0 | 112.6 | V2021 R2023 | S2019-V2021 VanDerWaalsContact C-N 3.28Å; S2019-V2021 PolarHBondContact O-N 3.21Å; S2019-R2023 PolarHBondContact O-NH1 3.28Å |
| 2020 | G | 68.9 | Low | 69.4 | Low | 40 Ų | 40 | 54.6 Ų | 54.6 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 7 | 174 | 0 | 0 | 0 | 0 | 0 | 116.7 | A2004 C2005 S2018 | A2004-G2020 CarbonylContact C-O 3.53Å; A2004-G2020 VanDerWaalsContact CA-O 3.23Å; A2004-G2020 WeakPolarHBondContact CA-O 3.49Å; C2005-G2020 PolarHBondContact N-O 2.84Å; C2005-G2020 CarbonylContact O-C 3.54Å; C2005-G2020 WeakPolarHBondContact O-CA 3.15Å; C2005-G2020 VanDerWaalsContact SG-C 3.58Å; S2018-G2020 PolarHBondContact O-N 3.48Å |
| 2021 | V | 75.6 | Confident | 68.8 | Low | 37 Ų | 37 | 58.1 Ų | 58.1 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 141.1 | 179.6 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | Y2003 C2005 S2018 S2019 R2023 | Y2003-V2021 WeakPolarHBondContact O-CA 3.47Å; Y2003-V2021 WeakPolarHBondContact O-CG1 3.48Å; C2005-V2021 VanDerWaalsContact SG-CA 3.52Å; C2005-V2021 PolarHBondContact SG-N 2.98Å; C2005-V2021 VanDerWaalsContact SG-N 3.37Å; S2018-V2021 PolarHBondContact N-O 2.87Å; S2018-V2021 PolarHBondContact O-N 2.93Å; S2018-V2021 VanDerWaalsContact O-O 3.05Å; S2019-V2021 VanDerWaalsContact C-N 3.28Å; S2019-V2021 PolarHBondContact O-N 3.21Å; V2021-R2023 HydrophobicContact CB-CG 4.35Å; V2021-R2023 HydrophobicContact CG1-CG 4.36Å; V2021-R2023 PolarHBondContact O-N 3.08Å; V2021-R2023 VanDerWaalsContact O-N 3.15Å |
| 2022 | C | 80.4 | Confident | 68.4 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 105.1 | 173.1 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | V1999 P2001 G2002 Y2003 C2005 C2011 S2015 T2016 | V1999-C2022 HydrophobicContact CG1-CB 4.37Å; V1999-C2022 WeakPolarHBondContact CG1-SG 3.35Å; P2001-C2022 WeakPolarHBondContact CA-O 3.38Å; G2002-C2022 PolarHBondContact N-O 3.39Å; Y2003-C2022 PolarHBondContact O-N 2.85Å; C2005-C2022 PolarHBondContact SG-N 3.49Å; C2005-C2022 VanDerWaalsContact SG-N 3.41Å; C2011-C2022 WeakPolarHBondContact CA-SG 3.07Å; C2011-C2022 HydrophobicContact CB-CB 3.82Å; C2011-C2022 WeakPolarHBondContact CB-SG 3.3Å; C2011-C2022 WeakPolarHBondContact SG-CA 3.03Å; C2011-C2022 WeakPolarHBondContact SG-CB 3.11Å; C2011-C2022 CovalentContact SG-SG 2.04Å; C2011-C2022 PolarHBondContact SG-SG 3.36Å; S2015-C2022 WeakPolarHBondContact OG-CB 3.08Å; T2016-C2022 WeakPolarHBondContact O-CA 3.01Å |
| 2023 | R | 81.4 | Confident | 67.7 | Low | 112 Ų | 112 | 62.6 Ų | 62.6 | 42% | 0.423 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 148.8 | -173.5 | -72.4 | 174.5 | 164.1 | 107.9 | -1 | 111.5 | S2015 T2016 S2018 S2019 V2021 | S2015-R2023 CarbonylContact C-O 3.53Å; S2015-R2023 VanDerWaalsContact CA-O 3.27Å; S2015-R2023 WeakPolarHBondContact CA-O 3.49Å; S2015-R2023 VanDerWaalsContact CB-O 3.3Å; S2015-R2023 WeakPolarHBondContact CB-O 3.32Å; T2016-R2023 PolarHBondContact N-O 2.92Å; T2016-R2023 PolarHBondContact O-N 3.45Å; S2018-R2023 PolarHBondContact O-NH1 2.98Å; S2019-R2023 PolarHBondContact O-NH1 3.28Å; V2021-R2023 HydrophobicContact CB-CG 4.35Å; V2021-R2023 HydrophobicContact CG1-CG 4.36Å; V2021-R2023 PolarHBondContact O-N 3.08Å; V2021-R2023 VanDerWaalsContact O-N 3.15Å |
| 2024 | C | 74.8 | Confident | 67.3 | Low | 28 Ų | 28 | 67.2 Ų | 67.2 | 19% | 0.189 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 151.6 | 176.4 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | Q2028 I2030 C2035 | C2024-Q2028 HydrophobicContact CB-CB 4.07Å; C2024-I2030 WeakPolarHBondContact SG-CG1 3.36Å; C2024-C2035 WeakPolarHBondContact CA-SG 3.03Å; C2024-C2035 HydrophobicContact CB-CB 3.76Å; C2024-C2035 WeakPolarHBondContact CB-SG 3.07Å; C2024-C2035 VanDerWaalsContact SG-CA 3.54Å; C2024-C2035 WeakPolarHBondContact SG-CB 3.07Å; C2024-C2035 CovalentContact SG-SG 2.03Å; C2024-C2035 PolarHBondContact SG-SG 3.42Å |
| 2025 | P | 67.5 | Low | 66.9 | Low | 57 Ų | 57 | 65.6 Ų | 65.6 | 37% | 0.37 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 153.9 | 170 | -24.6 | 34.7 | 0 | 0 | 0 | 113.5 | G2014 G2027 Q2028 | G2014-P2025 WeakPolarHBondContact O-CD 3.36Å; P2025-G2027 PolarHBondContact O-N 3.03Å; P2025-Q2028 WeakPolarHBondContact O-CB 3.35Å; P2025-Q2028 PolarHBondContact O-N 2.59Å |
| 2026 | L | 49.2 | Very low | 65.9 | Low | 187 Ų | 187 | 68.1 Ų | 68.1 | 98% | 0.979 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 128.2 | 175.8 | -84.2 | 155.7 | 0 | 0 | 0 | 111.5 | ||
| 2027 | G | 49.9 | Very low | 64.6 | Low | 51 Ų | 51 | 68.7 Ų | 68.7 | 53% | 0.526 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 1.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P2025 A2037 R2038 | P2025-G2027 PolarHBondContact O-N 3.03Å; G2027-A2037 WeakPolarHBondContact O-CA 3.35Å; G2027-R2038 PolarHBondContact O-N 3.3Å |
| 2028 | Q | 70.6 | Confident | 63 | Low | 79 Ų | 79 | 72.8 Ų | 72.8 | 37% | 0.369 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.3 | 177.3 | -52.9 | -173.1 | -4.5 | 0 | 0 | 112.4 | C2024 P2025 C2035 V2036 A2037 | C2024-Q2028 HydrophobicContact CB-CB 4.07Å; P2025-Q2028 WeakPolarHBondContact O-CB 3.35Å; P2025-Q2028 PolarHBondContact O-N 2.59Å; Q2028-C2035 HydrophobicContact CB-CB 4.28Å; Q2028-V2036 CarbonylContact C-O 3.56Å; Q2028-V2036 VanDerWaalsContact CA-O 3.25Å; Q2028-V2036 WeakPolarHBondContact CA-O 3.49Å; Q2028-A2037 HydrophobicContact CG-CB 4.11Å |
| 2029 | S | 59.2 | Low | 62 | Low | 41 Ų | 41 | 77.6 Ų | 77.6 | 29% | 0.287 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 149.8 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | E2031 C2035 V2036 | S2029-E2031 PolarHBondContact O-N 2.94Å; S2029-C2035 WeakPolarHBondContact O-CA 3.36Å; S2029-V2036 PolarHBondContact N-O 3Å; S2029-V2036 PolarHBondContact O-N 3.23Å |
| 2030 | I | 67.9 | Low | 61.4 | Low | 78 Ų | 78 | 74.5 Ų | 74.5 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 117.9 | 175.1 | -57 | 167.1 | 0 | 0 | 0 | 109.4 | P2001 C2024 H2034 | P2001-I2030 HydrophobicContact CB-CB 4.46Å; P2001-I2030 HydrophobicContact CB-CD1 3.94Å; P2001-I2030 HydrophobicContact CB-CG1 3.77Å; P2001-I2030 HydrophobicContact CB-CG2 3.91Å; C2024-I2030 WeakPolarHBondContact SG-CG1 3.36Å; I2030-H2034 WeakPolarHBondContact CA-O 3.36Å |
| 2031 | E | 53.6 | Low | 60.8 | Low | 93 Ų | 93 | 78.5 Ų | 78.5 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 121.5 | 174.6 | -152.3 | 161.3 | -114.1 | 0 | 0 | 107.8 | S2029 H2033 H2034 V2036 R2038 | S2029-E2031 PolarHBondContact O-N 2.94Å; E2031-H2033 VanDerWaalsContact C-N 3.26Å; E2031-H2033 PolarHBondContact O-N 3.33Å; E2031-H2034 PolarHBondContact N-O 2.64Å; E2031-H2034 PolarHBondContact O-N 3.06Å; E2031-H2034 VanDerWaalsContact O-O 3.1Å; E2031-V2036 HydrophobicContact CB-CG2 3.72Å; E2031-R2038 IonicContact OE1-CZ 3.25Å; E2031-R2038 VanDerWaalsContact OE1-CZ 3.25Å; E2031-R2038 IonicContact OE1-NH1 2.91Å; E2031-R2038 PolarHBondContact OE1-NH1 2.74Å; E2031-R2038 IonicContact OE1-NH2 2.75Å; E2031-R2038 PolarHBondContact OE1-NH2 2.86Å; E2031-R2038 IonicContact OE2-CZ 3.68Å; E2031-R2038 IonicContact OE2-NH2 2.8Å; E2031-R2038 PolarHBondContact OE2-NH2 3.33Å |
| 2032 | G | 66.1 | Low | 60.5 | Low | 70 Ų | 70 | 76.8 Ų | 76.8 | 72% | 0.722 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 26 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | H2034 | G2032-H2034 VanDerWaalsContact C-N 3.32Å; G2032-H2034 PolarHBondContact O-CD2 3.16Å |
| 2033 | H | 63.9 | Low | 60.2 | Low | 71 Ų | 71 | 80.9 Ų | 80.9 | 33% | 0.329 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 26.2 | -168.9 | -54.7 | -60.8 | 0 | 0 | 0 | 115.3 | K2000 P2001 Y2003 E2031 | K2000-H2033 HydrophobicContact CB-CB 4.13Å; K2000-H2033 HydrophobicContact CD-CB 4.07Å; K2000-H2033 HydrophobicContact CG-CB 4.33Å; P2001-H2033 VanDerWaalsContact CD-O 3.24Å; P2001-H2033 WeakPolarHBondContact CD-O 3.2Å; P2001-H2033 VanDerWaalsContact CG-O 3.28Å; P2001-H2033 WeakPolarHBondContact CG-O 3.04Å; Y2003-H2033 AromaticContact CE2-CE1 3.57Å; Y2003-H2033 AromaticContact CE2-ND1 3.99Å; E2031-H2033 VanDerWaalsContact C-N 3.26Å; E2031-H2033 PolarHBondContact O-N 3.33Å |
| 2034 | H | 65.1 | Low | 59.9 | Low | 117 Ų | 117 | 75.9 Ų | 75.9 | 54% | 0.542 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151 | 167.3 | -66.1 | -90.7 | 0 | 0 | 0 | 110.8 | G2013 I2030 E2031 G2032 | G2013-H2034 CarbonylContact O-C 3.55Å; G2013-H2034 WeakPolarHBondContact O-CA 3.38Å; I2030-H2034 WeakPolarHBondContact CA-O 3.36Å; E2031-H2034 PolarHBondContact N-O 2.64Å; E2031-H2034 PolarHBondContact O-N 3.06Å; E2031-H2034 VanDerWaalsContact O-O 3.1Å; G2032-H2034 VanDerWaalsContact C-N 3.32Å; G2032-H2034 PolarHBondContact O-CD2 3.16Å |
| 2035 | C | 62.5 | Low | 59.9 | Low | 19 Ų | 19 | 76.1 Ų | 76.1 | 13% | 0.128 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.8 | 176.1 | -64.6 | 0 | 0 | 0 | 0 | 110.2 | G2013 G2014 C2024 Q2028 S2029 | G2013-C2035 PolarHBondContact O-N 3.41Å; G2014-C2035 VanDerWaalsContact C-SG 3.6Å; C2024-C2035 WeakPolarHBondContact CA-SG 3.03Å; C2024-C2035 HydrophobicContact CB-CB 3.76Å; C2024-C2035 WeakPolarHBondContact CB-SG 3.07Å; C2024-C2035 VanDerWaalsContact SG-CA 3.54Å; C2024-C2035 WeakPolarHBondContact SG-CB 3.07Å; C2024-C2035 CovalentContact SG-SG 2.03Å; C2024-C2035 PolarHBondContact SG-SG 3.42Å; Q2028-C2035 HydrophobicContact CB-CB 4.28Å; S2029-C2035 WeakPolarHBondContact O-CA 3.36Å |
| 2036 | V | 59.5 | Low | 60.4 | Low | 57 Ų | 57 | 77 Ų | 77 | 35% | 0.345 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.3 | -179.7 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | Q2028 S2029 E2031 | Q2028-V2036 CarbonylContact C-O 3.56Å; Q2028-V2036 VanDerWaalsContact CA-O 3.25Å; Q2028-V2036 WeakPolarHBondContact CA-O 3.49Å; S2029-V2036 PolarHBondContact N-O 3Å; S2029-V2036 PolarHBondContact O-N 3.23Å; E2031-V2036 HydrophobicContact CB-CG2 3.72Å |
| 2037 | A | 40.1 | Very low | 61.8 | Low | 77 Ų | 77 | 74.4 Ų | 74.4 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G2027 Q2028 | G2027-A2037 WeakPolarHBondContact O-CA 3.35Å; Q2028-A2037 HydrophobicContact CG-CB 4.11Å |
| 2038 | R | 43.2 | Very low | 62.9 | Low | 148 Ų | 148 | 72.5 Ų | 72.5 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | trans | -139.7 | 111.2 | 173.1 | -72.6 | -174 | 173.6 | 148.9 | 7.3 | 110.5 | G2027 E2031 | G2027-R2038 PolarHBondContact O-N 3.3Å; E2031-R2038 IonicContact OE1-CZ 3.25Å; E2031-R2038 VanDerWaalsContact OE1-CZ 3.25Å; E2031-R2038 IonicContact OE1-NH1 2.91Å; E2031-R2038 PolarHBondContact OE1-NH1 2.74Å; E2031-R2038 IonicContact OE1-NH2 2.75Å; E2031-R2038 PolarHBondContact OE1-NH2 2.86Å; E2031-R2038 IonicContact OE2-CZ 3.68Å; E2031-R2038 IonicContact OE2-NH2 2.8Å; E2031-R2038 PolarHBondContact OE2-NH2 3.33Å | ||
| 2039 | M | 40 | Very low | 62.7 | Low | 157 Ų | 157 | 72.5 Ų | 72.5 | 77% | 0.773 | 40% | 0.404 | S | S | * | . | trans | -74.3 | 131 | 161.5 | -68 | 176.8 | 69.4 | 0 | 0 | 108.6 | ||||
| 2040 | A | 49.9 | Very low | 62.5 | Low | 46 Ų | 46 | 77.5 Ų | 77.5 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 145.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M2053 V2054 | A2040-M2053 HydrophobicContact CB-CE 4.03Å; A2040-M2053 HydrophobicContact CB-CG 4.04Å; A2040-M2053 WeakPolarHBondContact O-CA 3.2Å; A2040-V2054 PolarHBondContact O-N 2.88Å |
| 2041 | I | 55.7 | Low | 61.8 | Low | 123 Ų | 123 | 81.6 Ų | 81.6 | 63% | 0.631 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.1 | -177.3 | -59.6 | 177.5 | 0 | 0 | 0 | 108.4 | T2056 | I2041-T2056 HydrophobicContact CG2-CG2 3.38Å |
| 2042 | A | 69.8 | Low | 61.7 | Low | 2 Ų | 2 | 81 Ų | 81 | 2% | 0.017 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E2046 C2048 V2054 C2055 T2056 C2066 | A2042-E2046 WeakPolarHBondContact CA-OE2 3.49Å; A2042-E2046 HydrophobicContact CB-CB 4.36Å; A2042-C2048 HydrophobicContact CB-CB 4.37Å; A2042-V2054 PolarHBondContact N-O 3.31Å; A2042-C2055 CarbonylContact O-C 3.52Å; A2042-C2055 WeakPolarHBondContact O-CA 3.43Å; A2042-T2056 PolarHBondContact O-N 2.9Å; A2042-T2056 PolarHBondContact O-OG1 2.61Å; A2042-C2066 WeakPolarHBondContact CB-SG 3.35Å |
| 2043 | K | 73.6 | Confident | 61.2 | Low | 86 Ų | 86 | 81.3 Ų | 81.3 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | trans | -103.8 | 162.7 | -178.1 | -54.1 | -176.4 | -152.3 | 82.6 | 0 | 111.5 | G2045 E2046 C2066 N2077 | K2043-G2045 PolarHBondContact O-N 3.22Å; K2043-G2045 VanDerWaalsContact O-N 3.13Å; K2043-E2046 HydrophobicContact CB-CG 4.22Å; K2043-E2046 WeakPolarHBondContact CG-OE2 3.35Å; K2043-E2046 PolarHBondContact N-OE2 3.26Å; K2043-E2046 IonicContact NZ-OE1 2.69Å; K2043-E2046 PolarHBondContact NZ-OE1 3.48Å; K2043-E2046 IonicContact NZ-OE2 3.69Å; K2043-E2046 WeakPolarHBondContact O-CB 3.43Å; K2043-E2046 PolarHBondContact O-N 3.01Å; K2043-C2066 VanDerWaalsContact O-CB 3.24Å; K2043-C2066 WeakPolarHBondContact O-CB 3.48Å; K2043-N2077 HydrophobicContact CD-CB 4.47Å | ||
| 2044 | P | 75.9 | Confident | 61.3 | Low | 6 Ų | 6 | 81.6 Ų | 81.6 | 4% | 0.039 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 121.1 | 174.3 | -21.6 | 32 | 0 | 0 | 0 | 111.2 | T2056 I2074 N2077 | P2044-T2056 WeakPolarHBondContact CD-O 3.04Å; P2044-T2056 WeakPolarHBondContact CG-O 3.46Å; P2044-I2074 HydrophobicContact CB-CD1 4.14Å; P2044-I2074 HydrophobicContact CB-CG1 3.9Å; P2044-I2074 HydrophobicContact CB-CG2 4.01Å; P2044-N2077 VanDerWaalsContact CD-O 3.31Å; P2044-N2077 WeakPolarHBondContact CD-O 3.37Å; P2044-N2077 WeakPolarHBondContact CG-O 3.26Å |
| 2045 | G | 74.6 | Confident | 61.5 | Low | 34 Ų | 34 | 77.2 Ų | 77.2 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101 | -16.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K2043 K2065 C2066 | K2043-G2045 PolarHBondContact O-N 3.22Å; K2043-G2045 VanDerWaalsContact O-N 3.13Å; G2045-K2065 WeakPolarHBondContact O-CE 3.04Å; G2045-C2066 PolarHBondContact N-O 3.42Å |
| 2046 | E | 79 | Confident | 61.9 | Low | 74 Ų | 74 | 78.7 Ų | 78.7 | 35% | 0.346 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -83.2 | 160.5 | 175.7 | -64.8 | 173.7 | 177 | 0 | 0 | 111.6 | A2042 K2043 K2065 C2066 | A2042-E2046 WeakPolarHBondContact CA-OE2 3.49Å; A2042-E2046 HydrophobicContact CB-CB 4.36Å; K2043-E2046 HydrophobicContact CB-CG 4.22Å; K2043-E2046 WeakPolarHBondContact CG-OE2 3.35Å; K2043-E2046 PolarHBondContact N-OE2 3.26Å; K2043-E2046 IonicContact NZ-OE1 2.69Å; K2043-E2046 PolarHBondContact NZ-OE1 3.48Å; K2043-E2046 IonicContact NZ-OE2 3.69Å; K2043-E2046 WeakPolarHBondContact O-CB 3.43Å; K2043-E2046 PolarHBondContact O-N 3.01Å; E2046-K2065 WeakPolarHBondContact O-CG 3.35Å; E2046-C2066 PolarHBondContact O-N 3.43Å |
| 2047 | L | 77.5 | Confident | 62.3 | Low | 134 Ų | 134 | 77.2 Ų | 77.2 | 70% | 0.702 | 42% | 0.42 | S | S | * | . | B | Isolated β-bridge | trans | -76.1 | 148.7 | 173.4 | -67.6 | 171.5 | 0 | 0 | 0 | 110.6 | G2064 K2065 | L2047-G2064 WeakPolarHBondContact CA-O 3.01Å; L2047-G2064 WeakPolarHBondContact CD2-O 3.47Å; L2047-K2065 HydrophobicContact CD2-CB 4.34Å; L2047-K2065 HydrophobicContact CD2-CG 4.37Å |
| 2048 | C | 73.5 | Confident | 63.4 | Low | 11 Ų | 11 | 75.7 Ų | 75.7 | 7% | 0.074 | 41% | 0.411 | C | S | . | . | trans | -140.9 | 157.3 | -178.1 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | A2042 M2053 C2055 C2061 G2064 K2065 C2066 | A2042-C2048 HydrophobicContact CB-CB 4.37Å; C2048-M2053 HydrophobicContact CB-CB 4.43Å; C2048-C2055 VanDerWaalsContact SG-SG 3.67Å; C2048-C2061 HydrophobicContact CB-CB 4.08Å; C2048-C2061 WeakPolarHBondContact CB-SG 3.27Å; C2048-C2061 WeakPolarHBondContact SG-CA 3.22Å; C2048-C2061 WeakPolarHBondContact SG-CB 3.48Å; C2048-C2061 CovalentContact SG-SG 2.04Å; C2048-C2061 PolarHBondContact SG-SG 2.96Å; C2048-G2064 PolarHBondContact N-O 3.13Å; C2048-G2064 CarbonylContact O-C 3.55Å; C2048-G2064 VanDerWaalsContact O-CA 3.27Å; C2048-G2064 WeakPolarHBondContact O-CA 3.26Å; C2048-K2065 VanDerWaalsContact SG-CA 3.59Å; C2048-K2065 PolarHBondContact SG-N 3.22Å; C2048-K2065 VanDerWaalsContact SG-N 3.38Å; C2048-C2066 PolarHBondContact SG-N 2.97Å | ||
| 2049 | N | 66.9 | Low | 65.1 | Low | 78 Ų | 78 | 69.1 Ų | 69.1 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | trans | -127.7 | 121.2 | 170.4 | 173.9 | -16.1 | 0 | 0 | 0 | 107.5 | H2051 T2052 M2053 | N2049-H2051 PolarHBondContact O-N 2.92Å; N2049-H2051 PolarHBondContact OD1-N 3.16Å; N2049-T2052 WeakPolarHBondContact CB-OG1 3.21Å; N2049-T2052 PolarHBondContact O-N 2.92Å; N2049-M2053 PolarHBondContact O-N 3.25Å | ||
| 2050 | E | 53.6 | Low | 66.7 | Low | 146 Ų | 146 | 65.5 Ų | 65.5 | 68% | 0.682 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -25.1 | -175.3 | -61.7 | 179.1 | 163.3 | 0 | 0 | 114 | C2061 | E2050-C2061 HydrophobicContact CG-CB 4.42Š|
| 2051 | H | 54.2 | Low | 67.9 | Low | 165 Ų | 165 | 64.9 Ų | 64.9 | 76% | 0.764 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -11.7 | -177.7 | -64.5 | 79 | 0 | 0 | 0 | 114.3 | N2049 | N2049-H2051 PolarHBondContact O-N 2.92Å; N2049-H2051 PolarHBondContact OD1-N 3.16Å |
| 2052 | T | 50.2 | Low | 68.5 | Low | 80 Ų | 80 | 62.7 Ų | 62.7 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | -10.1 | -170.4 | 56.8 | 0 | 0 | 0 | 0 | 116.1 | N2049 | N2049-T2052 WeakPolarHBondContact CB-OG1 3.21Å; N2049-T2052 PolarHBondContact O-N 2.92Å |
| 2053 | M | 57 | Low | 68.5 | Low | 77 Ų | 77 | 73.8 Ų | 73.8 | 38% | 0.379 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 140.1 | -177.6 | -66.4 | -176.4 | 173.4 | 0 | 0 | 112.7 | A2040 C2048 N2049 | A2040-M2053 HydrophobicContact CB-CE 4.03Å; A2040-M2053 HydrophobicContact CB-CG 4.04Å; A2040-M2053 WeakPolarHBondContact O-CA 3.2Å; C2048-M2053 HydrophobicContact CB-CB 4.43Å; N2049-M2053 PolarHBondContact O-N 3.25Å |
| 2054 | V | 65.1 | Low | 68.3 | Low | 77 Ų | 77 | 71 Ų | 71 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.4 | 174.6 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | A2040 A2042 | A2040-V2054 PolarHBondContact O-N 2.88Å; A2042-V2054 PolarHBondContact N-O 3.31Å |
| 2055 | C | 69.1 | Low | 68.2 | Low | 24 Ų | 24 | 75.4 Ų | 75.4 | 16% | 0.162 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 137.8 | 170.3 | -69.8 | 0 | 0 | 0 | 0 | 111 | A2042 C2048 S2059 C2066 | A2042-C2055 CarbonylContact O-C 3.52Å; A2042-C2055 WeakPolarHBondContact O-CA 3.43Å; C2048-C2055 VanDerWaalsContact SG-SG 3.67Å; C2055-S2059 VanDerWaalsContact CB-O 3.29Å; C2055-S2059 WeakPolarHBondContact CB-O 3.22Å; C2055-C2066 VanDerWaalsContact CA-SG 3.53Å; C2055-C2066 HydrophobicContact CB-CB 3.92Å; C2055-C2066 WeakPolarHBondContact CB-SG 3.38Å; C2055-C2066 VanDerWaalsContact SG-CA 3.5Å; C2055-C2066 WeakPolarHBondContact SG-CB 3.44Å; C2055-C2066 CovalentContact SG-SG 2.04Å; C2055-C2066 PolarHBondContact SG-SG 2.03Å |
| 2056 | T | 70.5 | Confident | 68.4 | Low | 51 Ų | 51 | 73.9 Ų | 73.9 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | trans | -117.1 | -177 | -178.8 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | I2041 A2042 P2044 G2058 S2059 | I2041-T2056 HydrophobicContact CG2-CG2 3.38Å; A2042-T2056 PolarHBondContact O-N 2.9Å; A2042-T2056 PolarHBondContact O-OG1 2.61Å; P2044-T2056 WeakPolarHBondContact CD-O 3.04Å; P2044-T2056 WeakPolarHBondContact CG-O 3.46Å; T2056-G2058 PolarHBondContact O-N 3.09Å; T2056-G2058 VanDerWaalsContact O-N 3.11Å; T2056-S2059 PolarHBondContact O-N 3.39Å; T2056-S2059 VanDerWaalsContact O-N 3.08Å; T2056-S2059 PolarHBondContact O-OG 2.92Å | ||
| 2057 | G | 69.1 | Low | 68.5 | Low | 25 Ų | 25 | 72.2 Ų | 72.2 | 26% | 0.258 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 16 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S2059 N2077 V2078 C2079 | G2057-S2059 VanDerWaalsContact C-N 3.31Å; G2057-N2077 WeakPolarHBondContact CA-O 3.15Å; G2057-V2078 CarbonylContact O-C 3.55Å; G2057-V2078 WeakPolarHBondContact O-CA 3.37Å; G2057-C2079 PolarHBondContact O-N 3.01Å |
| 2058 | G | 62.8 | Low | 68.5 | Low | 45 Ų | 45 | 67 Ų | 67 | 46% | 0.464 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 15.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T2056 P2069 | T2056-G2058 PolarHBondContact O-N 3.09Å; T2056-G2058 VanDerWaalsContact O-N 3.11Å; G2058-P2069 WeakPolarHBondContact O-CD 2.88Å |
| 2059 | S | 78.7 | Confident | 68.2 | Low | 10 Ų | 10 | 68.3 Ų | 68.3 | 7% | 0.07 | 37% | 0.37 | C | S | . | . | trans | -85.2 | 154.5 | 169.8 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | C2055 T2056 G2057 C2066 T2067 | C2055-S2059 VanDerWaalsContact CB-O 3.29Å; C2055-S2059 WeakPolarHBondContact CB-O 3.22Å; T2056-S2059 PolarHBondContact O-N 3.39Å; T2056-S2059 VanDerWaalsContact O-N 3.08Å; T2056-S2059 PolarHBondContact O-OG 2.92Å; G2057-S2059 VanDerWaalsContact C-N 3.31Å; S2059-C2066 WeakPolarHBondContact OG-CB 3.5Å; S2059-T2067 CarbonylContact C-O 3.56Å; S2059-T2067 WeakPolarHBondContact CA-O 3.45Å; S2059-T2067 WeakPolarHBondContact CB-O 3.35Å | ||
| 2060 | I | 73.6 | Confident | 68.1 | Low | 81 Ų | 81 | 70.7 Ų | 70.7 | 42% | 0.415 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 147.9 | 176.8 | 53.4 | 174.8 | 0 | 0 | 0 | 109.5 | D2062 C2066 T2067 | I2060-D2062 PolarHBondContact O-N 3.21Å; I2060-D2062 VanDerWaalsContact O-N 3.17Å; I2060-C2066 CarbonylContact O-C 3.52Å; I2060-C2066 VanDerWaalsContact O-CA 3.31Å; I2060-C2066 WeakPolarHBondContact O-CA 3.01Å; I2060-T2067 PolarHBondContact N-O 2.87Å; I2060-T2067 PolarHBondContact O-N 2.9Å |
| 2061 | C | 76.2 | Confident | 68.2 | Low | 34 Ų | 34 | 65.6 Ų | 65.6 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 101.6 | 174.9 | -164 | 0 | 0 | 0 | 0 | 108.7 | C2048 E2050 | C2048-C2061 HydrophobicContact CB-CB 4.08Å; C2048-C2061 WeakPolarHBondContact CB-SG 3.27Å; C2048-C2061 WeakPolarHBondContact SG-CA 3.22Å; C2048-C2061 WeakPolarHBondContact SG-CB 3.48Å; C2048-C2061 CovalentContact SG-SG 2.04Å; C2048-C2061 PolarHBondContact SG-SG 2.96Å; E2050-C2061 HydrophobicContact CG-CB 4.42Å |
| 2062 | D | 66.9 | Low | 68.9 | Low | 76 Ų | 76 | 61.1 Ų | 61.1 | 41% | 0.406 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.6 | 176.1 | 178.3 | 26.4 | 0 | 0 | 0 | 108.5 | I2060 G2064 K2065 T2067 | I2060-D2062 PolarHBondContact O-N 3.21Å; I2060-D2062 VanDerWaalsContact O-N 3.17Å; D2062-G2064 PolarHBondContact O-N 3.04Å; D2062-G2064 VanDerWaalsContact O-N 3.14Å; D2062-K2065 PolarHBondContact N-O 3.34Å; D2062-K2065 PolarHBondContact O-N 3.07Å; D2062-K2065 VanDerWaalsContact O-O 3.05Å; D2062-T2067 HydrophobicContact CB-CG2 4.18Å; D2062-T2067 WeakPolarHBondContact CB-OG1 3.42Å |
| 2063 | R | 71.5 | Confident | 69.5 | Low | 236 Ų | 236 | 62.3 Ų | 62.3 | 89% | 0.891 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 39.4 | -178.3 | -60.8 | 169.1 | -168.7 | -159.9 | -1.5 | 113.5 | K2065 | R2063-K2065 VanDerWaalsContact C-N 3.35Š|
| 2064 | G | 68 | Low | 70.3 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 27% | 0.268 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 16.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L2047 C2048 D2062 | L2047-G2064 WeakPolarHBondContact CA-O 3.01Å; L2047-G2064 WeakPolarHBondContact CD2-O 3.47Å; C2048-G2064 PolarHBondContact N-O 3.13Å; C2048-G2064 CarbonylContact O-C 3.55Å; C2048-G2064 VanDerWaalsContact O-CA 3.27Å; C2048-G2064 WeakPolarHBondContact O-CA 3.26Å; D2062-G2064 PolarHBondContact O-N 3.04Å; D2062-G2064 VanDerWaalsContact O-N 3.14Å |
| 2065 | K | 73.5 | Confident | 70.2 | Confident | 100 Ų | 100 | 61.2 Ų | 61.2 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.7 | 173 | -162.8 | 175.7 | -174.3 | 177.5 | 0 | 111 | G2045 E2046 L2047 C2048 D2062 R2063 T2067 | G2045-K2065 WeakPolarHBondContact O-CE 3.04Å; E2046-K2065 WeakPolarHBondContact O-CG 3.35Å; L2047-K2065 HydrophobicContact CD2-CB 4.34Å; L2047-K2065 HydrophobicContact CD2-CG 4.37Å; C2048-K2065 VanDerWaalsContact SG-CA 3.59Å; C2048-K2065 PolarHBondContact SG-N 3.22Å; C2048-K2065 VanDerWaalsContact SG-N 3.38Å; D2062-K2065 PolarHBondContact N-O 3.34Å; D2062-K2065 PolarHBondContact O-N 3.07Å; D2062-K2065 VanDerWaalsContact O-O 3.05Å; R2063-K2065 VanDerWaalsContact C-N 3.35Å; K2065-T2067 HydrophobicContact CB-CG2 4.44Å; K2065-T2067 PolarHBondContact O-N 3.15Å; K2065-T2067 VanDerWaalsContact O-N 3.07Å |
| 2066 | C | 78.8 | Confident | 69.8 | Low | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 98 | 175.5 | -69.5 | 0 | 0 | 0 | 0 | 109.9 | A2042 K2043 G2045 E2046 C2048 C2055 S2059 I2060 | A2042-C2066 WeakPolarHBondContact CB-SG 3.35Å; K2043-C2066 VanDerWaalsContact O-CB 3.24Å; K2043-C2066 WeakPolarHBondContact O-CB 3.48Å; G2045-C2066 PolarHBondContact N-O 3.42Å; E2046-C2066 PolarHBondContact O-N 3.43Å; C2048-C2066 PolarHBondContact SG-N 2.97Å; C2055-C2066 VanDerWaalsContact CA-SG 3.53Å; C2055-C2066 HydrophobicContact CB-CB 3.92Å; C2055-C2066 WeakPolarHBondContact CB-SG 3.38Å; C2055-C2066 VanDerWaalsContact SG-CA 3.5Å; C2055-C2066 WeakPolarHBondContact SG-CB 3.44Å; C2055-C2066 CovalentContact SG-SG 2.04Å; C2055-C2066 PolarHBondContact SG-SG 2.03Å; S2059-C2066 WeakPolarHBondContact OG-CB 3.5Å; I2060-C2066 CarbonylContact O-C 3.52Å; I2060-C2066 VanDerWaalsContact O-CA 3.31Å; I2060-C2066 WeakPolarHBondContact O-CA 3.01Å |
| 2067 | T | 82.6 | Confident | 69.5 | Low | 39 Ų | 39 | 69.5 Ų | 69.5 | 24% | 0.239 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 157 | -178.6 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | S2059 I2060 D2062 K2065 | S2059-T2067 CarbonylContact C-O 3.56Å; S2059-T2067 WeakPolarHBondContact CA-O 3.45Å; S2059-T2067 WeakPolarHBondContact CB-O 3.35Å; I2060-T2067 PolarHBondContact N-O 2.87Å; I2060-T2067 PolarHBondContact O-N 2.9Å; D2062-T2067 HydrophobicContact CB-CG2 4.18Å; D2062-T2067 WeakPolarHBondContact CB-OG1 3.42Å; K2065-T2067 HydrophobicContact CB-CG2 4.44Å; K2065-T2067 PolarHBondContact O-N 3.15Å; K2065-T2067 VanDerWaalsContact O-N 3.07Å |
| 2068 | C | 76.7 | Confident | 69.1 | Low | 24 Ų | 24 | 71.4 Ų | 71.4 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 141.8 | 170.6 | -68.5 | 0 | 0 | 0 | 0 | 111 | H2072 I2074 C2079 | C2068-H2072 HydrophobicContact CB-CB 4.08Å; C2068-I2074 WeakPolarHBondContact SG-CG1 3.29Å; C2068-C2079 WeakPolarHBondContact CA-SG 3.28Å; C2068-C2079 HydrophobicContact CB-CB 3.73Å; C2068-C2079 WeakPolarHBondContact CB-SG 3.12Å; C2068-C2079 WeakPolarHBondContact SG-CA 3.43Å; C2068-C2079 WeakPolarHBondContact SG-CB 3.48Å; C2068-C2079 CovalentContact SG-SG 2.04Å; C2068-C2079 PolarHBondContact SG-SG 3.3Å |
| 2069 | P | 67.7 | Low | 69.4 | Low | 40 Ų | 40 | 70.1 Ų | 70.1 | 26% | 0.26 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 150.6 | 172.8 | -25.7 | 34.9 | 0 | 0 | 0 | 112.4 | G2058 G2071 H2072 | G2058-P2069 WeakPolarHBondContact O-CD 2.88Å; P2069-G2071 PolarHBondContact O-N 3.21Å; P2069-H2072 WeakPolarHBondContact O-CB 3.23Å; P2069-H2072 PolarHBondContact O-N 2.04Å; P2069-H2072 VanDerWaalsContact O-N 3.08Å |
| 2070 | P | 64.4 | Low | 68.3 | Low | 128 Ų | 128 | 75.1 Ų | 75.1 | 83% | 0.831 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 138.1 | 178.2 | -30.2 | 36.2 | 0 | 0 | 0 | 113.5 | H2072 | P2070-H2072 VanDerWaalsContact C-N 3.33Å; P2070-H2072 PolarHBondContact O-ND1 3.49Å |
| 2071 | G | 54.6 | Low | 67.1 | Low | 39 Ų | 39 | 73.5 Ų | 73.5 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P2069 M2082 | P2069-G2071 PolarHBondContact O-N 3.21Å; G2071-M2082 PolarHBondContact O-N 3.44Å |
| 2072 | H | 69.8 | Low | 66.1 | Low | 70 Ų | 70 | 77.4 Ų | 77.4 | 32% | 0.324 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.5 | 175.2 | -61.2 | 66.8 | 0 | 0 | 0 | 112 | C2068 P2069 P2070 C2079 K2080 S2081 | C2068-H2072 HydrophobicContact CB-CB 4.08Å; P2069-H2072 WeakPolarHBondContact O-CB 3.23Å; P2069-H2072 PolarHBondContact O-N 2.04Å; P2069-H2072 VanDerWaalsContact O-N 3.08Å; P2070-H2072 VanDerWaalsContact C-N 3.33Å; P2070-H2072 PolarHBondContact O-ND1 3.49Å; H2072-C2079 HydrophobicContact CB-CB 4.21Å; H2072-K2080 CarbonylContact C-O 3.57Å; H2072-K2080 WeakPolarHBondContact CA-O 3.49Å; H2072-S2081 PolarHBondContact CD2-N 3.26Å |
| 2073 | E | 62 | Low | 65.1 | Low | 105 Ų | 105 | 84.2 Ų | 84.2 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 151.9 | 175.6 | -169.2 | 177.2 | 126 | 0 | 0 | 111.2 | T2075 C2079 K2080 M2082 | E2073-T2075 PolarHBondContact O-N 2.94Å; E2073-C2079 WeakPolarHBondContact O-CA 3.48Å; E2073-K2080 PolarHBondContact N-O 2.78Å; E2073-K2080 PolarHBondContact O-N 2.74Å; E2073-M2082 HydrophobicContact CB-CE 4.21Å; E2073-M2082 HydrophobicContact CB-SD 4.29Å; E2073-M2082 WeakPolarHBondContact OE2-CE 3.08Å |
| 2074 | I | 75.1 | Confident | 63.7 | Low | 75 Ų | 75 | 75.2 Ų | 75.2 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 102.4 | 173.2 | -57.9 | 168.9 | 0 | 0 | 0 | 109.1 | P2044 C2068 | P2044-I2074 HydrophobicContact CB-CD1 4.14Å; P2044-I2074 HydrophobicContact CB-CG1 3.9Å; P2044-I2074 HydrophobicContact CB-CG2 4.01Å; C2068-I2074 WeakPolarHBondContact SG-CG1 3.29Å |
| 2075 | T | 61.9 | Low | 62.3 | Low | 56 Ų | 56 | 84 Ų | 84 | 34% | 0.344 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 112.2 | 172.2 | -42.1 | 0 | 0 | 0 | 0 | 110.1 | E2073 N2077 V2078 | E2073-T2075 PolarHBondContact O-N 2.94Å; T2075-N2077 PolarHBondContact O-N 3.38Å; T2075-V2078 PolarHBondContact N-O 3.49Å; T2075-V2078 PolarHBondContact O-N 3.39Å; T2075-V2078 VanDerWaalsContact O-N 3.15Å; T2075-V2078 VanDerWaalsContact O-O 3.08Å |
| 2076 | L | 60.6 | Low | 60.7 | Low | 160 Ų | 160 | 91.1 Ų | 91.1 | 84% | 0.838 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 52 | -179.8 | -64.3 | 168.4 | 0 | 0 | 0 | 113 | V2078 | L2076-V2078 PolarHBondContact O-N 2.8Š|
| 2077 | N | 64 | Low | 58.8 | Low | 89 Ų | 89 | 92.1 Ų | 92.1 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 24 | -178.3 | -55 | -30.2 | 0 | 0 | 0 | 114.7 | K2043 P2044 G2057 T2075 | K2043-N2077 HydrophobicContact CD-CB 4.47Å; P2044-N2077 VanDerWaalsContact CD-O 3.31Å; P2044-N2077 WeakPolarHBondContact CD-O 3.37Å; P2044-N2077 WeakPolarHBondContact CG-O 3.26Å; G2057-N2077 WeakPolarHBondContact CA-O 3.15Å; T2075-N2077 PolarHBondContact O-N 3.38Å |
| 2078 | V | 62.4 | Low | 57.4 | Low | 66 Ų | 66 | 94.3 Ų | 94.3 | 40% | 0.4 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133.7 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | G2057 T2075 L2076 K2080 | G2057-V2078 CarbonylContact O-C 3.55Å; G2057-V2078 WeakPolarHBondContact O-CA 3.37Å; T2075-V2078 PolarHBondContact N-O 3.49Å; T2075-V2078 PolarHBondContact O-N 3.39Å; T2075-V2078 VanDerWaalsContact O-N 3.15Å; T2075-V2078 VanDerWaalsContact O-O 3.08Å; L2076-V2078 PolarHBondContact O-N 2.8Å; V2078-K2080 PolarHBondContact O-N 3.21Å |
| 2079 | C | 67.3 | Low | 56.4 | Low | 17 Ų | 17 | 98.1 Ų | 98.1 | 12% | 0.115 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 113.7 | 174.7 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | G2057 C2068 H2072 E2073 | G2057-C2079 PolarHBondContact O-N 3.01Å; C2068-C2079 WeakPolarHBondContact CA-SG 3.28Å; C2068-C2079 HydrophobicContact CB-CB 3.73Å; C2068-C2079 WeakPolarHBondContact CB-SG 3.12Å; C2068-C2079 WeakPolarHBondContact SG-CA 3.43Å; C2068-C2079 WeakPolarHBondContact SG-CB 3.48Å; C2068-C2079 CovalentContact SG-SG 2.04Å; C2068-C2079 PolarHBondContact SG-SG 3.3Å; H2072-C2079 HydrophobicContact CB-CB 4.21Å; E2073-C2079 WeakPolarHBondContact O-CA 3.48Å |
| 2080 | K | 56.9 | Low | 56.5 | Low | 116 Ų | 116 | 97.2 Ų | 97.2 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.5 | 179 | -68 | -172.3 | -178.3 | 179 | 0 | 111.2 | H2072 E2073 V2078 | H2072-K2080 CarbonylContact C-O 3.57Å; H2072-K2080 WeakPolarHBondContact CA-O 3.49Å; E2073-K2080 PolarHBondContact N-O 2.78Å; E2073-K2080 PolarHBondContact O-N 2.74Å; V2078-K2080 PolarHBondContact O-N 3.21Å |
| 2081 | S | 49.2 | Very low | 57.3 | Low | 47 Ų | 47 | 93 Ų | 93 | 33% | 0.329 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 132.4 | 179.3 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | H2072 W2083 | H2072-S2081 PolarHBondContact CD2-N 3.26Å; S2081-W2083 PolarHBondContact O-N 3.28Å |
| 2082 | M | 53.6 | Low | 58.4 | Low | 115 Ų | 115 | 91.7 Ų | 91.7 | 57% | 0.567 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.5 | 177.9 | -74.7 | -71.5 | -144.2 | 0 | 0 | 114 | G2071 E2073 | G2071-M2082 PolarHBondContact O-N 3.44Å; E2073-M2082 HydrophobicContact CB-CE 4.21Å; E2073-M2082 HydrophobicContact CB-SD 4.29Å; E2073-M2082 WeakPolarHBondContact OE2-CE 3.08Å |
| 2083 | W | 45.8 | Very low | 58.6 | Low | 220 Ų | 220 | 91.2 Ų | 91.2 | 83% | 0.833 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 6.5 | -159.7 | -62 | 99.4 | 0 | 0 | 0 | 115.5 | S2081 | S2081-W2083 PolarHBondContact O-N 3.28Š|
| 2084 | S | 42.9 | Very low | 59.6 | Low | 46 Ų | 46 | 88 Ų | 88 | 32% | 0.322 | 47% | 0.465 | S | S | . | . | trans | -105.6 | 109.2 | 176.9 | -173 | 0 | 0 | 0 | 0 | 114.2 | A2087 V2102 | S2084-A2087 WeakPolarHBondContact OG-CB 3.5Å; S2084-A2087 PolarHBondContact OG-N 2.91Å; S2084-A2087 PolarHBondContact OG-O 2.04Å; S2084-V2102 VanDerWaalsContact CB-CG2 3.47Å; S2084-V2102 WeakPolarHBondContact OG-CG2 3.33Å | ||
| 2085 | K | 38.8 | Very low | 59.5 | Low | 212 Ų | 212 | 92.5 Ų | 92.5 | 92% | 0.922 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -116 | -4.5 | 152.1 | -80.1 | -172.7 | 175.4 | 178 | 0 | 114 | ||
| 2086 | R | 39.6 | Very low | 60.1 | Low | 248 Ų | 248 | 90.1 Ų | 90.1 | 94% | 0.936 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -148.3 | 17.1 | 178.6 | -66.9 | -168.4 | 179.7 | 176.3 | 0.8 | 114.3 | ||
| 2087 | A | 39.5 | Very low | 60.7 | Low | 23 Ų | 23 | 91.2 Ų | 91.2 | 19% | 0.19 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -96.6 | 133.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S2084 T2100 V2102 | S2084-A2087 WeakPolarHBondContact OG-CB 3.5Å; S2084-A2087 PolarHBondContact OG-N 2.91Å; S2084-A2087 PolarHBondContact OG-O 2.04Å; A2087-T2100 VanDerWaalsContact CA-O 3.23Å; A2087-T2100 WeakPolarHBondContact CA-O 3.06Å; A2087-T2100 WeakPolarHBondContact CB-O 3.44Å; A2087-V2102 HydrophobicContact CB-CG2 3.76Å |
| 2088 | S | 52.3 | Low | 60.5 | Low | 84 Ų | 84 | 90.9 Ų | 90.9 | 59% | 0.587 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 148.3 | -176.3 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | S2090 T2100 V2102 | S2088-S2090 PolarHBondContact O-N 2.03Å; S2088-T2100 PolarHBondContact N-O 3.47Å; S2088-V2102 PolarHBondContact O-N 2.85Å |
| 2089 | P | 54.9 | Low | 60.2 | Low | 104 Ų | 104 | 94.5 Ų | 94.5 | 68% | 0.675 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 118.8 | 175.8 | 28.8 | -33.1 | 0 | 0 | 0 | 111.5 | V2102 T2104 | P2089-V2102 WeakPolarHBondContact CA-O 3.3Å; P2089-T2104 HydrophobicContact CB-CG2 3.67Å |
| 2090 | S | 71.7 | Confident | 60 | Low | 21 Ų | 21 | 97.2 Ų | 97.2 | 15% | 0.147 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 141.8 | 170.2 | -73.5 | 0 | 0 | 0 | 0 | 109.2 | S2088 F2095 V2102 T2104 C2114 | S2088-S2090 PolarHBondContact O-N 2.03Å; S2090-F2095 PolarHBondContact OG-O 3.32Å; S2090-F2095 VanDerWaalsContact OG-O 3.09Å; S2090-V2102 PolarHBondContact N-O 3.11Å; S2090-T2104 PolarHBondContact O-N 3.38Å; S2090-T2104 PolarHBondContact O-OG1 2.77Å; S2090-C2114 WeakPolarHBondContact CB-SG 3.37Å |
| 2091 | T | 80.5 | Confident | 60.1 | Low | 41 Ų | 41 | 92.7 Ų | 92.7 | 25% | 0.252 | 48% | 0.481 | S | S | . | . | trans | -92.2 | 160.9 | -179.9 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | G2093 S2094 T2104 C2114 N2125 | T2091-G2093 PolarHBondContact O-N 2.67Å; T2091-S2094 PolarHBondContact N-OG 2.93Å; T2091-S2094 WeakPolarHBondContact O-CB 3.18Å; T2091-S2094 PolarHBondContact O-N 3.39Å; T2091-S2094 PolarHBondContact O-OG 3.45Å; T2091-S2094 VanDerWaalsContact O-OG 3.1Å; T2091-S2094 PolarHBondContact OG1-OG 2.99Å; T2091-T2104 WeakPolarHBondContact CA-OG1 3.44Å; T2091-C2114 WeakPolarHBondContact O-CB 3.3Å; T2091-N2125 VanDerWaalsContact CB-OD1 3.29Å; T2091-N2125 WeakPolarHBondContact CB-OD1 3.01Å; T2091-N2125 HydrophobicContact CG2-CB 3.82Å; T2091-N2125 PolarHBondContact OG1-OD1 2.9Å | ||
| 2092 | P | 78.1 | Confident | 61 | Low | 10 Ų | 10 | 92.6 Ų | 92.6 | 7% | 0.065 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 124.8 | 172.9 | -23.9 | 31.8 | 0 | 0 | 0 | 111.6 | T2104 C2114 A2122 N2125 | P2092-T2104 WeakPolarHBondContact CD-O 3.21Å; P2092-T2104 WeakPolarHBondContact CG-O 3.37Å; P2092-C2114 CarbonylContact C-O 3.58Å; P2092-A2122 HydrophobicContact CB-CB 3.67Å; P2092-N2125 VanDerWaalsContact CD-O 3.26Å; P2092-N2125 WeakPolarHBondContact CD-O 3.12Å |
| 2093 | G | 74.2 | Confident | 61.8 | Low | 60 Ų | 60 | 88.1 Ų | 88.1 | 62% | 0.619 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.5 | -14.4 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | T2091 C2114 | T2091-G2093 PolarHBondContact O-N 2.67Å; G2093-C2114 PolarHBondContact N-O 2.93Å |
| 2094 | S | 81.4 | Confident | 63.2 | Low | 37 Ų | 37 | 79.8 Ų | 79.8 | 26% | 0.259 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -74.7 | 152 | 177.2 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | T2091 V2113 C2114 | T2091-S2094 PolarHBondContact N-OG 2.93Å; T2091-S2094 WeakPolarHBondContact O-CB 3.18Å; T2091-S2094 PolarHBondContact O-N 3.39Å; T2091-S2094 PolarHBondContact O-OG 3.45Å; T2091-S2094 VanDerWaalsContact O-OG 3.1Å; T2091-S2094 PolarHBondContact OG1-OG 2.99Å; S2094-V2113 WeakPolarHBondContact O-CA 3.48Å; S2094-C2114 PolarHBondContact O-N 3.5Å |
| 2095 | F | 74.3 | Confident | 64.2 | Low | 170 Ų | 170 | 79.1 Ų | 79.1 | 75% | 0.746 | 43% | 0.432 | S | S | * | . | B | Isolated β-bridge | trans | -60.1 | 143.1 | 161.1 | -84.1 | -84.1 | 0 | 0 | 0 | 111.2 | S2090 N2112 V2113 | S2090-F2095 PolarHBondContact OG-O 3.32Å; S2090-F2095 VanDerWaalsContact OG-O 3.09Å; F2095-N2112 CarbonylContact C-O 3.51Å; F2095-N2112 VanDerWaalsContact CA-O 3.28Å; F2095-N2112 WeakPolarHBondContact CA-O 3.29Å; F2095-N2112 HydrophobicContact CD1-CB 4.42Å; F2095-N2112 VanDerWaalsContact CD1-O 3.24Å; F2095-N2112 WeakPolarHBondContact CD1-O 3.46Å; F2095-V2113 HydrophobicContact CD1-CG2 4.35Å; F2095-V2113 HydrophobicContact CE1-CG2 4.35Å |
| 2096 | C | 75 | Confident | 65.4 | Low | 6 Ų | 6 | 71.5 Ų | 71.5 | 4% | 0.041 | 41% | 0.414 | C | S | . | . | trans | -132.9 | 144 | 174.3 | 55.8 | 0 | 0 | 0 | 0 | 109.2 | A2101 C2109 N2112 V2113 | C2096-A2101 HydrophobicContact CB-CB 3.59Å; C2096-C2109 HydrophobicContact CB-CB 3.95Å; C2096-C2109 WeakPolarHBondContact CB-SG 3.39Å; C2096-C2109 WeakPolarHBondContact SG-CA 3.49Å; C2096-C2109 WeakPolarHBondContact SG-CB 3.25Å; C2096-C2109 CovalentContact SG-SG 2.04Å; C2096-C2109 PolarHBondContact SG-SG 3.45Å; C2096-N2112 PolarHBondContact N-O 2.82Å; C2096-N2112 CarbonylContact O-C 3.54Å; C2096-N2112 WeakPolarHBondContact O-CA 3.1Å; C2096-N2112 WeakPolarHBondContact O-CB 3.49Å; C2096-V2113 VanDerWaalsContact SG-CA 3.57Å; C2096-V2113 PolarHBondContact SG-N 2.99Å | ||
| 2097 | R | 71.5 | Confident | 67.2 | Low | 183 Ų | 183 | 60.1 Ų | 60.1 | 69% | 0.691 | 37% | 0.372 | S | S | * | . | trans | -89.2 | 131 | 159.4 | -100.3 | -176.1 | 168 | 133.5 | -1.3 | 107.9 | D2099 T2100 A2101 | R2097-D2099 PolarHBondContact O-N 3.23Å; R2097-T2100 WeakPolarHBondContact CB-OG1 3.09Å; R2097-T2100 PolarHBondContact O-N 3.08Å; R2097-T2100 VanDerWaalsContact O-N 3.1Å; R2097-A2101 PolarHBondContact O-N 2.04Å; R2097-A2101 VanDerWaalsContact O-N 3.11Å | ||
| 2098 | P | 60.3 | Low | 68.8 | Low | 83 Ų | 83 | 64 Ų | 64 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -36.5 | -178.2 | -29.9 | 36.5 | 0 | 0 | 0 | 113.6 | N2112 | P2098-N2112 VanDerWaalsContact CD-OD1 3.26Å; P2098-N2112 WeakPolarHBondContact CD-OD1 3.46Å; P2098-N2112 WeakPolarHBondContact CG-OD1 3.48Å |
| 2099 | D | 57.1 | Low | 70 | Confident | 141 Ų | 141 | 62 Ų | 62 | 75% | 0.754 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -11.2 | -173.1 | -26 | -77.2 | 0 | 0 | 0 | 113.9 | R2097 | R2097-D2099 PolarHBondContact O-N 3.23Š|
| 2100 | T | 62.2 | Low | 70.9 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.2 | 12.1 | -163.1 | 45.1 | 0 | 0 | 0 | 0 | 116.5 | A2087 S2088 R2097 | A2087-T2100 VanDerWaalsContact CA-O 3.23Å; A2087-T2100 WeakPolarHBondContact CA-O 3.06Å; A2087-T2100 WeakPolarHBondContact CB-O 3.44Å; S2088-T2100 PolarHBondContact N-O 3.47Å; R2097-T2100 WeakPolarHBondContact CB-OG1 3.09Å; R2097-T2100 PolarHBondContact O-N 3.08Å; R2097-T2100 VanDerWaalsContact O-N 3.1Å |
| 2101 | A | 58.9 | Low | 71 | Confident | 22 Ų | 22 | 66.9 Ų | 66.9 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C2096 R2097 C2103 | C2096-A2101 HydrophobicContact CB-CB 3.59Å; R2097-A2101 PolarHBondContact O-N 2.04Å; R2097-A2101 VanDerWaalsContact O-N 3.11Å; A2101-C2103 PolarHBondContact O-N 2.94Å |
| 2102 | V | 69 | Low | 70.5 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 27% | 0.267 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 103.5 | 172.3 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | S2084 A2087 S2088 P2089 S2090 T2104 | S2084-V2102 VanDerWaalsContact CB-CG2 3.47Å; S2084-V2102 WeakPolarHBondContact OG-CG2 3.33Å; A2087-V2102 HydrophobicContact CB-CG2 3.76Å; S2088-V2102 PolarHBondContact O-N 2.85Å; P2089-V2102 WeakPolarHBondContact CA-O 3.3Å; S2090-V2102 PolarHBondContact N-O 3.11Å; V2102-T2104 PolarHBondContact O-N 2.85Å |
| 2103 | C | 70.6 | Confident | 70.5 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 14% | 0.142 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 122.1 | 170.8 | -66.8 | 0 | 0 | 0 | 0 | 110 | A2101 S2107 C2109 C2114 | A2101-C2103 PolarHBondContact O-N 2.94Å; C2103-S2107 WeakPolarHBondContact CB-O 3.33Å; C2103-C2109 PolarHBondContact SG-N 2.79Å; C2103-C2109 VanDerWaalsContact SG-N 3.38Å; C2103-C2114 WeakPolarHBondContact CA-SG 3.43Å; C2103-C2114 HydrophobicContact CB-CB 3.78Å; C2103-C2114 WeakPolarHBondContact CB-SG 3.37Å; C2103-C2114 WeakPolarHBondContact SG-CA 3.14Å; C2103-C2114 WeakPolarHBondContact SG-CB 3.26Å; C2103-C2114 CovalentContact SG-SG 2.04Å; C2103-C2114 PolarHBondContact SG-SG 3.08Å |
| 2104 | T | 74.8 | Confident | 70.8 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 28% | 0.276 | 38% | 0.376 | S | S | . | . | trans | -98.5 | 175.4 | -176.7 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | P2089 S2090 T2091 P2092 V2102 G2106 S2107 | P2089-T2104 HydrophobicContact CB-CG2 3.67Å; S2090-T2104 PolarHBondContact O-N 3.38Å; S2090-T2104 PolarHBondContact O-OG1 2.77Å; T2091-T2104 WeakPolarHBondContact CA-OG1 3.44Å; P2092-T2104 WeakPolarHBondContact CD-O 3.21Å; P2092-T2104 WeakPolarHBondContact CG-O 3.37Å; V2102-T2104 PolarHBondContact O-N 2.85Å; T2104-G2106 PolarHBondContact O-N 2.61Å; T2104-G2106 VanDerWaalsContact O-N 3.14Å; T2104-S2107 PolarHBondContact O-N 2.79Å; T2104-S2107 VanDerWaalsContact O-N 3.15Å; T2104-S2107 PolarHBondContact O-OG 3.31Å | ||
| 2105 | G | 63.4 | Low | 70.8 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 16.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N2125 C2127 | G2105-N2125 WeakPolarHBondContact CA-O 3.38Å; G2105-C2127 WeakPolarHBondContact O-CB 3.34Å; G2105-C2127 PolarHBondContact O-N 2.9Å |
| 2106 | G | 63.9 | Low | 71.1 | Confident | 52 Ų | 52 | 61 Ų | 61 | 54% | 0.536 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 18.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T2104 | T2104-G2106 PolarHBondContact O-N 2.61Å; T2104-G2106 VanDerWaalsContact O-N 3.14Å |
| 2107 | S | 77 | Confident | 70.7 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 159.8 | 169.1 | 60.3 | 0 | 0 | 0 | 0 | 112.3 | C2103 T2104 V2115 | C2103-S2107 WeakPolarHBondContact CB-O 3.33Å; T2104-S2107 PolarHBondContact O-N 2.79Å; T2104-S2107 VanDerWaalsContact O-N 3.15Å; T2104-S2107 PolarHBondContact O-OG 3.31Å; S2107-V2115 CarbonylContact C-O 3.59Å; S2107-V2115 WeakPolarHBondContact CA-O 3.44Å; S2107-V2115 WeakPolarHBondContact CB-O 3.33Å |
| 2108 | Y | 74.5 | Confident | 70.2 | Confident | 103 Ų | 103 | 63.8 Ų | 63.8 | 40% | 0.404 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153 | 176.1 | 65 | -82.4 | 0 | 0 | 0 | 110.9 | L2110 C2114 V2115 | Y2108-L2110 HydrophobicContact CD2-CB 4.29Å; Y2108-L2110 HydrophobicContact CE2-CB 3.91Å; Y2108-L2110 HydrophobicContact CE2-CD1 4.4Å; Y2108-L2110 HydrophobicContact CE2-CD2 4.29Å; Y2108-L2110 HydrophobicContact CE2-CG 4.43Å; Y2108-L2110 PolarHBondContact O-N 2.73Å; Y2108-C2114 CarbonylContact O-C 3.52Å; Y2108-C2114 WeakPolarHBondContact O-CA 3.47Å; Y2108-V2115 HydrophobicContact CD1-CG2 4.31Å; Y2108-V2115 WeakPolarHBondContact CD1-O 3.09Å; Y2108-V2115 HydrophobicContact CD2-CG2 4.28Å; Y2108-V2115 HydrophobicContact CE1-CG2 3.86Å; Y2108-V2115 HydrophobicContact CE2-CG2 3.85Å; Y2108-V2115 PolarHBondContact N-O 3.32Å; Y2108-V2115 PolarHBondContact O-N 3.29Å |
| 2109 | C | 77.7 | Confident | 69.8 | Low | 43 Ų | 43 | 62.1 Ų | 62.1 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 115.1 | -177.5 | -167.5 | 0 | 0 | 0 | 0 | 110.5 | C2096 C2103 | C2096-C2109 HydrophobicContact CB-CB 3.95Å; C2096-C2109 WeakPolarHBondContact CB-SG 3.39Å; C2096-C2109 WeakPolarHBondContact SG-CA 3.49Å; C2096-C2109 WeakPolarHBondContact SG-CB 3.25Å; C2096-C2109 CovalentContact SG-SG 2.04Å; C2096-C2109 PolarHBondContact SG-SG 3.45Å; C2103-C2109 PolarHBondContact SG-N 2.79Å; C2103-C2109 VanDerWaalsContact SG-N 3.38Å |
| 2110 | L | 72.7 | Confident | 70.2 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 42% | 0.419 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.1 | 175 | -173.8 | 68.4 | 0 | 0 | 0 | 108.8 | Y2108 N2112 V2113 V2115 | Y2108-L2110 HydrophobicContact CD2-CB 4.29Å; Y2108-L2110 HydrophobicContact CE2-CB 3.91Å; Y2108-L2110 HydrophobicContact CE2-CD1 4.4Å; Y2108-L2110 HydrophobicContact CE2-CD2 4.29Å; Y2108-L2110 HydrophobicContact CE2-CG 4.43Å; Y2108-L2110 PolarHBondContact O-N 2.73Å; L2110-N2112 PolarHBondContact O-N 2.79Å; L2110-N2112 VanDerWaalsContact O-N 3.16Å; L2110-V2113 PolarHBondContact N-O 3Å; L2110-V2113 PolarHBondContact O-N 2.04Å; L2110-V2113 VanDerWaalsContact O-O 3.07Å; L2110-V2115 HydrophobicContact CB-CG2 3.59Å; L2110-V2115 HydrophobicContact CD2-CG2 4.02Å; L2110-V2115 HydrophobicContact CG-CG2 4.47Å |
| 2111 | N | 74 | Confident | 70.4 | Confident | 148 Ų | 148 | 61 Ų | 61 | 79% | 0.791 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 45 | -179.9 | -61.4 | -12.5 | 0 | 0 | 0 | 113.4 | V2113 | N2111-V2113 VanDerWaalsContact C-N 3.3Å; N2111-V2113 PolarHBondContact O-N 3.29Å |
| 2112 | N | 69.1 | Low | 70.6 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 18.5 | -177.6 | -51.8 | -23.5 | 0 | 0 | 0 | 116 | F2095 C2096 P2098 L2110 | F2095-N2112 CarbonylContact C-O 3.51Å; F2095-N2112 VanDerWaalsContact CA-O 3.28Å; F2095-N2112 WeakPolarHBondContact CA-O 3.29Å; F2095-N2112 HydrophobicContact CD1-CB 4.42Å; F2095-N2112 VanDerWaalsContact CD1-O 3.24Å; F2095-N2112 WeakPolarHBondContact CD1-O 3.46Å; C2096-N2112 PolarHBondContact N-O 2.82Å; C2096-N2112 CarbonylContact O-C 3.54Å; C2096-N2112 WeakPolarHBondContact O-CA 3.1Å; C2096-N2112 WeakPolarHBondContact O-CB 3.49Å; P2098-N2112 VanDerWaalsContact CD-OD1 3.26Å; P2098-N2112 WeakPolarHBondContact CD-OD1 3.46Å; P2098-N2112 WeakPolarHBondContact CG-OD1 3.48Å; L2110-N2112 PolarHBondContact O-N 2.79Å; L2110-N2112 VanDerWaalsContact O-N 3.16Å |
| 2113 | V | 78.7 | Confident | 70.1 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 26% | 0.261 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.5 | 171.4 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | S2094 F2095 C2096 L2110 N2111 V2115 | S2094-V2113 WeakPolarHBondContact O-CA 3.48Å; F2095-V2113 HydrophobicContact CD1-CG2 4.35Å; F2095-V2113 HydrophobicContact CE1-CG2 4.35Å; C2096-V2113 VanDerWaalsContact SG-CA 3.57Å; C2096-V2113 PolarHBondContact SG-N 2.99Å; L2110-V2113 PolarHBondContact N-O 3Å; L2110-V2113 PolarHBondContact O-N 2.04Å; L2110-V2113 VanDerWaalsContact O-O 3.07Å; N2111-V2113 VanDerWaalsContact C-N 3.3Å; N2111-V2113 PolarHBondContact O-N 3.29Å; V2113-V2115 HydrophobicContact CB-CG1 4.36Å; V2113-V2115 HydrophobicContact CG1-CG1 4.15Å; V2113-V2115 PolarHBondContact O-N 3.14Å |
| 2114 | C | 81.7 | Confident | 69.6 | Low | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 103.9 | 172.9 | -71.3 | 0 | 0 | 0 | 0 | 110.3 | S2090 T2091 P2092 G2093 S2094 C2103 Y2108 | S2090-C2114 WeakPolarHBondContact CB-SG 3.37Å; T2091-C2114 WeakPolarHBondContact O-CB 3.3Å; P2092-C2114 CarbonylContact C-O 3.58Å; G2093-C2114 PolarHBondContact N-O 2.93Å; S2094-C2114 PolarHBondContact O-N 3.5Å; C2103-C2114 WeakPolarHBondContact CA-SG 3.43Å; C2103-C2114 HydrophobicContact CB-CB 3.78Å; C2103-C2114 WeakPolarHBondContact CB-SG 3.37Å; C2103-C2114 WeakPolarHBondContact SG-CA 3.14Å; C2103-C2114 WeakPolarHBondContact SG-CB 3.26Å; C2103-C2114 CovalentContact SG-SG 2.04Å; C2103-C2114 PolarHBondContact SG-SG 3.08Å; Y2108-C2114 CarbonylContact O-C 3.52Å; Y2108-C2114 WeakPolarHBondContact O-CA 3.47Å |
| 2115 | V | 81.4 | Confident | 69.1 | Low | 43 Ų | 43 | 77.7 Ų | 77.7 | 26% | 0.261 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 151.8 | -176.4 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | S2107 Y2108 L2110 V2113 | S2107-V2115 CarbonylContact C-O 3.59Å; S2107-V2115 WeakPolarHBondContact CA-O 3.44Å; S2107-V2115 WeakPolarHBondContact CB-O 3.33Å; Y2108-V2115 HydrophobicContact CD1-CG2 4.31Å; Y2108-V2115 WeakPolarHBondContact CD1-O 3.09Å; Y2108-V2115 HydrophobicContact CD2-CG2 4.28Å; Y2108-V2115 HydrophobicContact CE1-CG2 3.86Å; Y2108-V2115 HydrophobicContact CE2-CG2 3.85Å; Y2108-V2115 PolarHBondContact N-O 3.32Å; Y2108-V2115 PolarHBondContact O-N 3.29Å; L2110-V2115 HydrophobicContact CB-CG2 3.59Å; L2110-V2115 HydrophobicContact CD2-CG2 4.02Å; L2110-V2115 HydrophobicContact CG-CG2 4.47Å; V2113-V2115 HydrophobicContact CB-CG1 4.36Å; V2113-V2115 HydrophobicContact CG1-CG1 4.15Å; V2113-V2115 PolarHBondContact O-N 3.14Å |
| 2116 | C | 78.9 | Confident | 68.8 | Low | 27 Ų | 27 | 82.1 Ų | 82.1 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 152.3 | 171 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | C2127 | C2116-C2127 WeakPolarHBondContact CA-SG 3.46Å; C2116-C2127 HydrophobicContact CB-CB 3.73Å; C2116-C2127 WeakPolarHBondContact CB-SG 3.46Å; C2116-C2127 VanDerWaalsContact SG-CA 3.53Å; C2116-C2127 WeakPolarHBondContact SG-CB 3.38Å; C2116-C2127 CovalentContact SG-SG 2.04Å; C2116-C2127 PolarHBondContact SG-SG 3.02Å |
| 2117 | S | 67.4 | Low | 69.1 | Low | 60 Ų | 60 | 80.6 Ų | 80.6 | 42% | 0.42 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 160 | 173.9 | -161.2 | 0 | 0 | 0 | 0 | 112.4 | G2119 Y2120 | S2117-G2119 PolarHBondContact O-N 2.85Å; S2117-Y2120 WeakPolarHBondContact O-CB 3.33Å; S2117-Y2120 PolarHBondContact O-N 2.96Å |
| 2118 | Q | 60.9 | Low | 68.3 | Low | 186 Ų | 186 | 82.1 Ų | 82.1 | 87% | 0.869 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 137.9 | 178.8 | -65.3 | -168.8 | 3.4 | 0 | 0 | 110.9 | Y2120 | Q2118-Y2120 VanDerWaalsContact C-N 3.35Š|
| 2119 | G | 51.1 | Low | 66.8 | Low | 49 Ų | 49 | 79.9 Ų | 79.9 | 51% | 0.505 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -13.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S2117 K2130 | S2117-G2119 PolarHBondContact O-N 2.85Å; G2119-K2130 PolarHBondContact O-N 2.58Å |
| 2120 | Y | 66.2 | Low | 64.8 | Low | 109 Ų | 109 | 84.1 Ų | 84.1 | 43% | 0.427 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 160.2 | -178.5 | -66.9 | -109.5 | 0 | 0 | 0 | 111.9 | S2117 Q2118 V2128 P2129 | S2117-Y2120 WeakPolarHBondContact O-CB 3.33Å; S2117-Y2120 PolarHBondContact O-N 2.96Å; Q2118-Y2120 VanDerWaalsContact C-N 3.35Å; Y2120-V2128 CarbonylContact C-O 3.5Å; Y2120-V2128 VanDerWaalsContact CA-O 3.26Å; Y2120-V2128 WeakPolarHBondContact CA-O 3.41Å; Y2120-V2128 VanDerWaalsContact CD1-C 3.44Å; Y2120-P2129 HydrophobicContact CD1-CB 4.11Å; Y2120-P2129 HydrophobicContact CE1-CB 3.8Å; Y2120-P2129 HydrophobicContact CE1-CG 4.17Å |
| 2121 | F | 66.4 | Low | 63 | Low | 81 Ų | 81 | 87.5 Ų | 87.5 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.4 | 173.8 | 77.5 | -75.2 | 0 | 0 | 0 | 112.4 | R2123 C2127 V2128 K2130 | F2121-R2123 HydrophobicContact CE2-CB 4.08Å; F2121-R2123 HydrophobicContact CE2-CG 4.43Å; F2121-R2123 HydrophobicContact CZ-CB 4.42Å; F2121-R2123 PolarHBondContact O-N 2.87Å; F2121-C2127 CarbonylContact O-C 3.59Å; F2121-C2127 WeakPolarHBondContact O-CA 2.96Å; F2121-V2128 HydrophobicContact CD1-CG2 4.01Å; F2121-V2128 WeakPolarHBondContact CD1-O 3.5Å; F2121-V2128 HydrophobicContact CE1-CG2 3.67Å; F2121-V2128 HydrophobicContact CZ-CG2 3.96Å; F2121-V2128 PolarHBondContact N-O 3.23Å; F2121-V2128 PolarHBondContact O-N 3.16Å; F2121-K2130 HydrophobicContact CB-CG 4.49Å; F2121-K2130 HydrophobicContact CD1-CG 3.65Å; F2121-K2130 HydrophobicContact CE1-CG 4.31Å; F2121-K2130 HydrophobicContact CG-CG 4.43Å |
| 2122 | A | 64.3 | Low | 60.8 | Low | 53 Ų | 53 | 87.9 Ų | 87.9 | 44% | 0.438 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 115.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P2092 Q2126 | P2092-A2122 HydrophobicContact CB-CB 3.67Å; A2122-Q2126 CarbonylContact C-O 3.56Å; A2122-Q2126 WeakPolarHBondContact CA-O 3.4Å |
| 2123 | R | 58.5 | Low | 58.7 | Low | 152 Ų | 152 | 89.6 Ų | 89.6 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 123.1 | 170.7 | -161.4 | 178.9 | -171.5 | -179.5 | 3.8 | 108.7 | F2121 N2125 Q2126 V2128 | F2121-R2123 HydrophobicContact CE2-CB 4.08Å; F2121-R2123 HydrophobicContact CE2-CG 4.43Å; F2121-R2123 HydrophobicContact CZ-CB 4.42Å; F2121-R2123 PolarHBondContact O-N 2.87Å; R2123-N2125 VanDerWaalsContact C-N 3.35Å; R2123-N2125 PolarHBondContact O-N 2.96Å; R2123-Q2126 PolarHBondContact N-O 2.97Å; R2123-Q2126 PolarHBondContact O-N 3.23Å; R2123-Q2126 VanDerWaalsContact O-O 3.07Å; R2123-V2128 HydrophobicContact CB-CG2 3.6Å |
| 2124 | F | 59.2 | Low | 56.1 | Low | 187 Ų | 187 | 94.9 Ų | 94.9 | 82% | 0.82 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 51 | -176.7 | -58 | -63.7 | 0 | 0 | 0 | 114.1 | Q2126 | F2124-Q2126 PolarHBondContact O-N 3.43Š|
| 2125 | N | 63.3 | Low | 53.3 | Low | 92 Ų | 92 | 101.9 Ų | 101.9 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 19.8 | -178.1 | -59.8 | -38 | 0 | 0 | 0 | 115.4 | T2091 P2092 G2105 R2123 | T2091-N2125 VanDerWaalsContact CB-OD1 3.29Å; T2091-N2125 WeakPolarHBondContact CB-OD1 3.01Å; T2091-N2125 HydrophobicContact CG2-CB 3.82Å; T2091-N2125 PolarHBondContact OG1-OD1 2.9Å; P2092-N2125 VanDerWaalsContact CD-O 3.26Å; P2092-N2125 WeakPolarHBondContact CD-O 3.12Å; G2105-N2125 WeakPolarHBondContact CA-O 3.38Å; R2123-N2125 VanDerWaalsContact C-N 3.35Å; R2123-N2125 PolarHBondContact O-N 2.96Å |
| 2126 | Q | 57.5 | Low | 50.5 | Low | 124 Ų | 124 | 105.7 Ų | 105.7 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.8 | 172.3 | -61.8 | -175.2 | 2.7 | 0 | 0 | 111.1 | A2122 R2123 F2124 V2128 | A2122-Q2126 CarbonylContact C-O 3.56Å; A2122-Q2126 WeakPolarHBondContact CA-O 3.4Å; R2123-Q2126 PolarHBondContact N-O 2.97Å; R2123-Q2126 PolarHBondContact O-N 3.23Å; R2123-Q2126 VanDerWaalsContact O-O 3.07Å; F2124-Q2126 PolarHBondContact O-N 3.43Å; Q2126-V2128 PolarHBondContact O-N 2.96Å |
| 2127 | C | 69.9 | Low | 47.8 | Very low | 21 Ų | 21 | 111 Ų | 111 | 14% | 0.142 | 58% | 0.584 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 105.9 | 172.7 | -66.3 | 0 | 0 | 0 | 0 | 109.3 | G2105 C2116 F2121 | G2105-C2127 WeakPolarHBondContact O-CB 3.34Å; G2105-C2127 PolarHBondContact O-N 2.9Å; C2116-C2127 WeakPolarHBondContact CA-SG 3.46Å; C2116-C2127 HydrophobicContact CB-CB 3.73Å; C2116-C2127 WeakPolarHBondContact CB-SG 3.46Å; C2116-C2127 VanDerWaalsContact SG-CA 3.53Å; C2116-C2127 WeakPolarHBondContact SG-CB 3.38Å; C2116-C2127 CovalentContact SG-SG 2.04Å; C2116-C2127 PolarHBondContact SG-SG 3.02Å; F2121-C2127 CarbonylContact O-C 3.59Å; F2121-C2127 WeakPolarHBondContact O-CA 2.96Å |
| 2128 | V | 60.1 | Low | 45.8 | Very low | 41 Ų | 41 | 114 Ų | 114 | 25% | 0.248 | 60% | 0.6 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.9 | 147.4 | 179.5 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | Y2120 F2121 R2123 Q2126 | Y2120-V2128 CarbonylContact C-O 3.5Å; Y2120-V2128 VanDerWaalsContact CA-O 3.26Å; Y2120-V2128 WeakPolarHBondContact CA-O 3.41Å; Y2120-V2128 VanDerWaalsContact CD1-C 3.44Å; F2121-V2128 HydrophobicContact CD1-CG2 4.01Å; F2121-V2128 WeakPolarHBondContact CD1-O 3.5Å; F2121-V2128 HydrophobicContact CE1-CG2 3.67Å; F2121-V2128 HydrophobicContact CZ-CG2 3.96Å; F2121-V2128 PolarHBondContact N-O 3.23Å; F2121-V2128 PolarHBondContact O-N 3.16Å; R2123-V2128 HydrophobicContact CB-CG2 3.6Å; Q2126-V2128 PolarHBondContact O-N 2.96Å |
| 2129 | P | 44.9 | Very low | 44.1 | Very low | 57 Ų | 57 | 108.7 Ų | 108.7 | 37% | 0.37 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67 | 146 | -178.7 | 27.1 | -33.8 | 0 | 0 | 0 | 111.2 | Y2120 L2131 | Y2120-P2129 HydrophobicContact CD1-CB 4.11Å; Y2120-P2129 HydrophobicContact CE1-CB 3.8Å; Y2120-P2129 HydrophobicContact CE1-CG 4.17Å; P2129-L2131 VanDerWaalsContact C-N 3.28Å; P2129-L2131 PolarHBondContact O-N 2.75Å |
| 2130 | K | 35.7 | Very low | 43 | Very low | 132 Ų | 132 | 113.6 Ų | 113.6 | 57% | 0.574 | 60% | 0.598 | S | S | * | * | trans | -73.5 | 78.2 | 175.3 | -72.4 | -171.4 | 175 | -169.7 | 0 | 111.4 | G2119 F2121 N2132 | G2119-K2130 PolarHBondContact O-N 2.58Å; F2121-K2130 HydrophobicContact CB-CG 4.49Å; F2121-K2130 HydrophobicContact CD1-CG 3.65Å; F2121-K2130 HydrophobicContact CE1-CG 4.31Å; F2121-K2130 HydrophobicContact CG-CG 4.43Å; K2130-N2132 PolarHBondContact O-N 2.76Å | ||
| 2131 | L | 34 | Very low | 41.3 | Very low | 151 Ų | 151 | 118.4 Ų | 118.4 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | trans | -70.6 | 72.7 | 169.1 | -75.3 | 167.5 | 0 | 0 | 0 | 110.9 | P2129 P2133 | P2129-L2131 VanDerWaalsContact C-N 3.28Å; P2129-L2131 PolarHBondContact O-N 2.75Å; L2131-P2133 WeakPolarHBondContact O-CD 3.27Å | ||
| 2132 | N | 28.2 | Very low | 39.8 | Very low | 155 Ų | 155 | 116.7 Ų | 116.7 | 83% | 0.829 | 61% | 0.611 | S | S | * | * | trans | -22.6 | 104.4 | -174 | -73.1 | -20.1 | 0 | 0 | 0 | 117 | K2130 | K2130-N2132 PolarHBondContact O-N 2.76Š| ||
| 2133 | P | 25.4 | Very low | 39 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | trans | -107.4 | 151.1 | 151.8 | 9.4 | 14.9 | 0 | 0 | 0 | 109.4 | L2131 | L2131-P2133 WeakPolarHBondContact O-CD 3.27Š| ||
| 2134 | I | 23.7 | Very low | 38.4 | Very low | 155 Ų | 155 | 116.4 Ų | 116.4 | 80% | 0.795 | 62% | 0.623 | S | S | * | * | trans | -83.9 | 146.7 | 179.9 | -68.4 | 171.9 | 0 | 0 | 0 | 110.6 | ||||
| 2135 | D | 22.7 | Very low | 38.5 | Very low | 146 Ų | 146 | 108 Ų | 108 | 78% | 0.781 | 59% | 0.587 | S | S | * | * | trans | 64.9 | 110.4 | 173.4 | -65.5 | -25.9 | 0 | 0 | 0 | 119.6 | ||||
| 2136 | V | 23 | Very low | 38.9 | Very low | 123 Ų | 123 | 109.6 Ų | 109.6 | 75% | 0.745 | 60% | 0.601 | S | S | * | * | 162.5 | 115.7 | 114.7 | 160 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 2137 | D | 22.4 | Very low | 39.3 | Very low | 140 Ų | 140 | 105.6 Ų | 105.6 | 75% | 0.749 | 59% | 0.589 | S | S | * | * | trans | -175.8 | 163.1 | 130.1 | -121.9 | -32.7 | 0 | 0 | 0 | 114.9 | ||||
| 2138 | T | 25.6 | Very low | 39.1 | Very low | 121 Ų | 121 | 109.4 Ų | 109.4 | 74% | 0.742 | 61% | 0.608 | S | S | * | * | trans | 22.7 | 128.8 | 161 | 59 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2139 | A | 24.3 | Very low | 39.6 | Very low | 75 Ų | 75 | 112.7 Ų | 112.7 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | cis | 81.8 | 87.9 | 24.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | I2161 | A2139-I2161 HydrophobicContact CB-CD1 4.03Š| ||
| 2140 | E | 27 | Very low | 40.3 | Very low | 153 Ų | 153 | 115 Ų | 115 | 72% | 0.715 | 64% | 0.638 | S | S | * | * | trans | -135.9 | 123.7 | 151.5 | -103.2 | -133.6 | 113 | 0 | 0 | 112 | T2142 | E2140-T2142 PolarHBondContact O-N 3.43Š| ||
| 2141 | R | 30.8 | Very low | 41.7 | Very low | 209 Ų | 209 | 109.5 Ų | 109.5 | 79% | 0.789 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 54.9 | 49 | 152.4 | -142.2 | 177.4 | -52.4 | -106.7 | -8 | 118.9 | ||
| 2142 | T | 35.7 | Very low | 43.2 | Very low | 45 Ų | 45 | 109 Ų | 109 | 28% | 0.276 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -101.5 | 155 | 145 | 11.9 | 0 | 0 | 0 | 0 | 109.4 | E2140 I2161 C2162 W2170 | E2140-T2142 PolarHBondContact O-N 3.43Å; T2142-I2161 WeakPolarHBondContact OG1-CG2 3.02Å; T2142-C2162 WeakPolarHBondContact CB-O 3.5Å; T2142-C2162 WeakPolarHBondContact CG2-O 3.45Å; T2142-W2170 HydrophobicContact CG2-CZ2 3.91Å |
| 2143 | T | 48 | Very low | 44.9 | Very low | 93 Ų | 93 | 103 Ų | 103 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 141.6 | -167.7 | 16 | 0 | 0 | 0 | 0 | 112.7 | I2161 C2162 | T2143-I2161 WeakPolarHBondContact O-CA 3.1Å; T2143-C2162 PolarHBondContact O-N 2.82Å |
| 2144 | P | 44.9 | Very low | 46.8 | Very low | 106 Ų | 106 | 100 Ų | 100 | 69% | 0.688 | 58% | 0.576 | S | S | * | * | B | Isolated β-bridge | trans | -73.7 | 148.3 | 179.1 | 30.3 | -34.4 | 0 | 0 | 0 | 112.2 | G2160 | P2144-G2160 WeakPolarHBondContact CA-O 3.35Å |
| 2145 | C | 62.5 | Low | 49.3 | Very low | 10 Ų | 10 | 93 Ų | 93 | 7% | 0.068 | 54% | 0.541 | C | S | . | . | trans | -148.3 | 152.2 | -174.5 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | Q2150 C2151 C2157 G2160 I2161 | C2145-Q2150 VanDerWaalsContact CA-OE1 3.27Å; C2145-Q2150 HydrophobicContact CB-CB 4.06Å; C2145-C2151 VanDerWaalsContact SG-SG 3.68Å; C2145-C2157 VanDerWaalsContact C-SG 3.51Å; C2145-C2157 HydrophobicContact CB-CB 3.95Å; C2145-C2157 WeakPolarHBondContact CB-SG 3.16Å; C2145-C2157 PolarHBondContact O-SG 3.18Å; C2145-C2157 WeakPolarHBondContact SG-CA 3.24Å; C2145-C2157 WeakPolarHBondContact SG-CB 3.47Å; C2145-C2157 CovalentContact SG-SG 2.03Å; C2145-C2157 PolarHBondContact SG-SG 2.86Å; C2145-G2160 PolarHBondContact N-O 3.34Å; C2145-G2160 VanDerWaalsContact N-O 3.13Å; C2145-G2160 VanDerWaalsContact O-CA 3.3Å; C2145-G2160 WeakPolarHBondContact O-CA 3.07Å; C2145-G2160 VanDerWaalsContact SG-C 3.57Å; C2145-I2161 VanDerWaalsContact SG-C 3.54Å; C2145-I2161 PolarHBondContact SG-N 2.95Å; C2145-I2161 VanDerWaalsContact SG-N 3.41Å | ||
| 2146 | T | 71.5 | Confident | 51.4 | Low | 127 Ų | 127 | 89.4 Ų | 89.4 | 78% | 0.779 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -111.5 | -9.6 | 172.5 | 63 | 0 | 0 | 0 | 0 | 113.1 | Q2150 | T2146-Q2150 PolarHBondContact OG1-NE2 3.47Å; T2146-Q2150 VanDerWaalsContact OG1-NE2 3.16Å; T2146-Q2150 PolarHBondContact OG1-OE1 3.12Å |
| 2147 | A | 64.8 | Low | 53.8 | Low | 40 Ų | 40 | 85 Ų | 85 | 33% | 0.331 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -157.2 | 158.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S2149 Q2150 | A2147-S2149 PolarHBondContact O-N 2.76Å; A2147-S2149 VanDerWaalsContact O-N 3.08Å; A2147-Q2150 PolarHBondContact O-N 2.96Å |
| 2148 | N | 66.6 | Low | 55.5 | Low | 101 Ų | 101 | 84.1 Ų | 84.1 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -55.3 | -26.7 | 175.3 | -75.7 | -15.8 | 0 | 0 | 0 | 113.4 | Q2150 C2151 C2157 | N2148-Q2150 PolarHBondContact O-N 3.2Å; N2148-C2151 PolarHBondContact O-N 3.5Å; N2148-C2157 WeakPolarHBondContact OD1-CB 3.46Å; N2148-C2157 PolarHBondContact OD1-N 3.35Å |
| 2149 | S | 69.3 | Low | 56.8 | Low | 110 Ų | 110 | 86.9 Ų | 86.9 | 77% | 0.769 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -66.6 | -13.2 | 177.3 | 49.7 | 0 | 0 | 0 | 0 | 114.8 | A2147 | A2147-S2149 PolarHBondContact O-N 2.76Å; A2147-S2149 VanDerWaalsContact O-N 3.08Å |
| 2150 | Q | 59.7 | Low | 58.6 | Low | 105 Ų | 105 | 84.8 Ų | 84.8 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -92.3 | -5.5 | 172.7 | -68.2 | 172.2 | -4.4 | 0 | 0 | 112.7 | C2145 T2146 A2147 N2148 | C2145-Q2150 VanDerWaalsContact CA-OE1 3.27Å; C2145-Q2150 HydrophobicContact CB-CB 4.06Å; T2146-Q2150 PolarHBondContact OG1-NE2 3.47Å; T2146-Q2150 VanDerWaalsContact OG1-NE2 3.16Å; T2146-Q2150 PolarHBondContact OG1-OE1 3.12Å; A2147-Q2150 PolarHBondContact O-N 2.96Å; N2148-Q2150 PolarHBondContact O-N 3.2Å |
| 2151 | C | 65.6 | Low | 60.6 | Low | 17 Ų | 17 | 79.7 Ų | 79.7 | 12% | 0.115 | 45% | 0.452 | C | S | . | . | trans | -99.7 | 121.2 | 179.1 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | C2145 N2148 S2155 C2157 C2162 | C2145-C2151 VanDerWaalsContact SG-SG 3.68Å; N2148-C2151 PolarHBondContact O-N 3.5Å; C2151-S2155 VanDerWaalsContact CB-O 3.27Å; C2151-S2155 WeakPolarHBondContact CB-O 3.25Å; C2151-S2155 WeakPolarHBondContact CB-OG 3.46Å; C2151-C2157 VanDerWaalsContact SG-CA 3.57Å; C2151-C2157 VanDerWaalsContact SG-CB 3.57Å; C2151-C2162 WeakPolarHBondContact CA-SG 3.48Å; C2151-C2162 HydrophobicContact CB-CB 3.74Å; C2151-C2162 WeakPolarHBondContact CB-SG 3.35Å; C2151-C2162 WeakPolarHBondContact SG-CA 3.33Å; C2151-C2162 WeakPolarHBondContact SG-CB 3.28Å; C2151-C2162 CovalentContact SG-SG 2.04Å; C2151-C2162 PolarHBondContact SG-SG 2.72Å | ||
| 2152 | Q | 66.5 | Low | 62.3 | Low | 140 Ų | 140 | 69.8 Ų | 69.8 | 65% | 0.654 | 42% | 0.415 | S | S | * | . | trans | -86.3 | 157.9 | -179.2 | -64.5 | -174.4 | -2.4 | 0 | 0 | 111.3 | G2154 S2155 | Q2152-G2154 PolarHBondContact O-N 3.11Å; Q2152-S2155 PolarHBondContact O-N 3Å; Q2152-S2155 PolarHBondContact O-OG 2.87Å | ||
| 2153 | G | 64 | Low | 63.7 | Low | 28 Ų | 28 | 72.5 Ų | 72.5 | 29% | 0.289 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 18.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | S2155 T2175 V2176 C2177 | G2153-S2155 VanDerWaalsContact C-N 3.34Å; G2153-T2175 WeakPolarHBondContact CA-O 3.46Å; G2153-V2176 WeakPolarHBondContact O-CG1 3.45Å; G2153-C2177 PolarHBondContact O-N 2.81Å; G2153-C2177 PolarHBondContact O-SG 3.49Å |
| 2154 | G | 64 | Low | 64.8 | Low | 57 Ų | 57 | 68.9 Ų | 68.9 | 59% | 0.588 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 4.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q2152 | Q2152-G2154 PolarHBondContact O-N 3.11Š|
| 2155 | S | 75.9 | Confident | 65.8 | Low | 8 Ų | 8 | 66.9 Ų | 66.9 | 6% | 0.056 | 39% | 0.39 | C | S | . | . | trans | -69.4 | 149.7 | 162.9 | 64.4 | 0 | 0 | 0 | 0 | 110.6 | C2151 Q2152 G2153 Q2163 W2170 | C2151-S2155 VanDerWaalsContact CB-O 3.27Å; C2151-S2155 WeakPolarHBondContact CB-O 3.25Å; C2151-S2155 WeakPolarHBondContact CB-OG 3.46Å; Q2152-S2155 PolarHBondContact O-N 3Å; Q2152-S2155 PolarHBondContact O-OG 2.87Å; G2153-S2155 VanDerWaalsContact C-N 3.34Å; S2155-Q2163 WeakPolarHBondContact CA-O 3.37Å; S2155-W2170 VanDerWaalsContact CB-CH2 3.45Å; S2155-W2170 VanDerWaalsContact OG-CH2 3.3Å; S2155-W2170 WeakPolarHBondContact OG-CH2 3.4Å | ||
| 2156 | T | 68.4 | Low | 65.3 | Low | 70 Ų | 70 | 74.2 Ų | 74.2 | 43% | 0.429 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 147.5 | -178.3 | 57 | 0 | 0 | 0 | 0 | 110.9 | F2158 C2162 Q2163 | T2156-F2158 PolarHBondContact O-N 3.35Å; T2156-C2162 CarbonylContact O-C 3.54Å; T2156-C2162 WeakPolarHBondContact O-CA 3.33Å; T2156-Q2163 PolarHBondContact N-O 2.62Å; T2156-Q2163 PolarHBondContact O-N 3.35Å; T2156-Q2163 PolarHBondContact OG1-O 3.36Å |
| 2157 | C | 73 | Confident | 64.1 | Low | 29 Ų | 29 | 73.9 Ų | 73.9 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 94.2 | -178.9 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | C2145 N2148 C2151 | C2145-C2157 VanDerWaalsContact C-SG 3.51Å; C2145-C2157 HydrophobicContact CB-CB 3.95Å; C2145-C2157 WeakPolarHBondContact CB-SG 3.16Å; C2145-C2157 PolarHBondContact O-SG 3.18Å; C2145-C2157 WeakPolarHBondContact SG-CA 3.24Å; C2145-C2157 WeakPolarHBondContact SG-CB 3.47Å; C2145-C2157 CovalentContact SG-SG 2.03Å; C2145-C2157 PolarHBondContact SG-SG 2.86Å; N2148-C2157 WeakPolarHBondContact OD1-CB 3.46Å; N2148-C2157 PolarHBondContact OD1-N 3.35Å; C2151-C2157 VanDerWaalsContact SG-CA 3.57Å; C2151-C2157 VanDerWaalsContact SG-CB 3.57Å |
| 2158 | F | 57.9 | Low | 63.9 | Low | 122 Ų | 122 | 73.1 Ų | 73.1 | 54% | 0.535 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.1 | 179.5 | -170.7 | -106.7 | 0 | 0 | 0 | 110.7 | T2156 G2160 I2161 | T2156-F2158 PolarHBondContact O-N 3.35Å; F2158-G2160 PolarHBondContact O-N 3.14Å; F2158-G2160 VanDerWaalsContact O-N 3.08Å; F2158-I2161 PolarHBondContact N-O 3.37Å; F2158-I2161 PolarHBondContact O-N 2.85Å |
| 2159 | K | 51.8 | Low | 63.8 | Low | 179 Ų | 179 | 75.7 Ų | 75.7 | 78% | 0.778 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.4 | 44.1 | -178.9 | -70 | -172.2 | 174.9 | 179.5 | 0 | 114.2 | ||
| 2160 | G | 62.5 | Low | 63.7 | Low | 31 Ų | 31 | 73 Ų | 73 | 32% | 0.32 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 15.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P2144 C2145 F2158 | P2144-G2160 WeakPolarHBondContact CA-O 3.35Å; C2145-G2160 PolarHBondContact N-O 3.34Å; C2145-G2160 VanDerWaalsContact N-O 3.13Å; C2145-G2160 VanDerWaalsContact O-CA 3.3Å; C2145-G2160 WeakPolarHBondContact O-CA 3.07Å; C2145-G2160 VanDerWaalsContact SG-C 3.57Å; F2158-G2160 PolarHBondContact O-N 3.14Å; F2158-G2160 VanDerWaalsContact O-N 3.08Å |
| 2161 | I | 68.8 | Low | 63.3 | Low | 47 Ų | 47 | 68.5 Ų | 68.5 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135.9 | -178.6 | -62 | 180 | 0 | 0 | 0 | 110.3 | A2139 T2142 T2143 C2145 F2158 Q2163 | A2139-I2161 HydrophobicContact CB-CD1 4.03Å; T2142-I2161 WeakPolarHBondContact OG1-CG2 3.02Å; T2143-I2161 WeakPolarHBondContact O-CA 3.1Å; C2145-I2161 VanDerWaalsContact SG-C 3.54Å; C2145-I2161 PolarHBondContact SG-N 2.95Å; C2145-I2161 VanDerWaalsContact SG-N 3.41Å; F2158-I2161 PolarHBondContact N-O 3.37Å; F2158-I2161 PolarHBondContact O-N 2.85Å; I2161-Q2163 PolarHBondContact O-N 3.08Å |
| 2162 | C | 67.6 | Low | 63.1 | Low | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 105.2 | 177.5 | -67.1 | 0 | 0 | 0 | 0 | 113 | T2142 T2143 C2151 T2156 | T2142-C2162 WeakPolarHBondContact CB-O 3.5Å; T2142-C2162 WeakPolarHBondContact CG2-O 3.45Å; T2143-C2162 PolarHBondContact O-N 2.82Å; C2151-C2162 WeakPolarHBondContact CA-SG 3.48Å; C2151-C2162 HydrophobicContact CB-CB 3.74Å; C2151-C2162 WeakPolarHBondContact CB-SG 3.35Å; C2151-C2162 WeakPolarHBondContact SG-CA 3.33Å; C2151-C2162 WeakPolarHBondContact SG-CB 3.28Å; C2151-C2162 CovalentContact SG-SG 2.04Å; C2151-C2162 PolarHBondContact SG-SG 2.72Å; T2156-C2162 CarbonylContact O-C 3.54Å; T2156-C2162 WeakPolarHBondContact O-CA 3.33Å |
| 2163 | Q | 65.3 | Low | 62.2 | Low | 101 Ų | 101 | 71.8 Ų | 71.8 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.3 | -172.3 | -158.7 | 170.3 | 8.2 | 0 | 0 | 112.1 | S2155 T2156 I2161 | S2155-Q2163 WeakPolarHBondContact CA-O 3.37Å; T2156-Q2163 PolarHBondContact N-O 2.62Å; T2156-Q2163 PolarHBondContact O-N 3.35Å; T2156-Q2163 PolarHBondContact OG1-O 3.36Å; I2161-Q2163 PolarHBondContact O-N 3.08Å |
| 2164 | C | 70 | Confident | 61.8 | Low | 17 Ų | 17 | 77.6 Ų | 77.6 | 12% | 0.115 | 41% | 0.414 | C | S | . | . | trans | -77.6 | 146.7 | 167.3 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | S2168 W2170 C2177 | C2164-S2168 WeakPolarHBondContact CB-OG 3.41Å; C2164-W2170 VanDerWaalsContact SG-CD2 3.54Å; C2164-W2170 VanDerWaalsContact SG-CE2 3.59Å; C2164-C2177 HydrophobicContact CB-CB 3.97Å; C2164-C2177 WeakPolarHBondContact CB-SG 3.42Å; C2164-C2177 WeakPolarHBondContact SG-CB 3.21Å; C2164-C2177 CovalentContact SG-SG 2.05Å; C2164-C2177 PolarHBondContact SG-SG 2.81Å | ||
| 2165 | P | 66.1 | Low | 61.5 | Low | 65 Ų | 65 | 77.6 Ų | 77.6 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | trans | -67.5 | 177.3 | -178.2 | 24.7 | -33.2 | 0 | 0 | 0 | 114.8 | S2168 | P2165-S2168 VanDerWaalsContact CD-OG 3.31Å; P2165-S2168 WeakPolarHBondContact CD-OG 3.35Å; P2165-S2168 WeakPolarHBondContact O-CA 3.01Å; P2165-S2168 WeakPolarHBondContact O-CB 3.14Å; P2165-S2168 PolarHBondContact O-N 3.13Å; P2165-S2168 PolarHBondContact O-OG 2.96Å | ||
| 2166 | L | 52.4 | Low | 61 | Low | 163 Ų | 163 | 79.6 Ų | 79.6 | 85% | 0.853 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 159.4 | 178.9 | -97.8 | 168.7 | 0 | 0 | 0 | 113.6 | S1763 S2168 | S1763-L2166 WeakPolarHBondContact CB-O 3.26Å; S1763-L2166 PolarHBondContact OG-O 3.11Å; L2166-S2168 PolarHBondContact O-N 3.09Å |
| 2167 | N | 45.5 | Very low | 60.9 | Low | 120 Ų | 120 | 77.3 Ų | 77.3 | 64% | 0.642 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 2.8 | -156.1 | -72.9 | -19.3 | 0 | 0 | 0 | 114.6 | S1763 T1764 T2180 | S1763-N2167 CarbonylContact C-O 3.58Å; S1763-N2167 VanDerWaalsContact N-CB 3.34Å; T1764-N2167 PolarHBondContact N-O 2.82Å; N2167-T2180 PolarHBondContact O-OG1 2.93Å |
| 2168 | S | 60.3 | Low | 60.6 | Low | 24 Ų | 24 | 79.1 Ų | 79.1 | 17% | 0.168 | 41% | 0.411 | C | S | . | . | trans | -82.4 | 137.4 | 177.2 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | S1763 T1764 C2164 P2165 L2166 | S1763-S2168 WeakPolarHBondContact CB-OG 3.32Å; S1763-S2168 PolarHBondContact OG-OG 3.33Å; S1763-S2168 VanDerWaalsContact OG-OG 3.06Å; T1764-S2168 WeakPolarHBondContact OG1-CA 3.18Å; T1764-S2168 WeakPolarHBondContact OG1-CB 3.04Å; T1764-S2168 PolarHBondContact OG1-OG 3.05Å; C2164-S2168 WeakPolarHBondContact CB-OG 3.41Å; P2165-S2168 VanDerWaalsContact CD-OG 3.31Å; P2165-S2168 WeakPolarHBondContact CD-OG 3.35Å; P2165-S2168 WeakPolarHBondContact O-CA 3.01Å; P2165-S2168 WeakPolarHBondContact O-CB 3.14Å; P2165-S2168 PolarHBondContact O-N 3.13Å; P2165-S2168 PolarHBondContact O-OG 2.96Å; L2166-S2168 PolarHBondContact O-N 3.09Å | ||
| 2169 | K | 66.4 | Low | 59.9 | Low | 155 Ų | 155 | 77.1 Ų | 77.1 | 67% | 0.674 | 41% | 0.412 | S | S | * | . | trans | -120.8 | 144.2 | 140.8 | -64.8 | -178.8 | -178.4 | 175.4 | 0 | 109.4 | T1764 | T1764-K2169 CarbonylContact C-O 3.51Å; T1764-K2169 VanDerWaalsContact C-O 3.27Å; T1764-K2169 VanDerWaalsContact CB-O 3.26Å; T1764-K2169 WeakPolarHBondContact CB-O 3.36Å; T1764-K2169 PolarHBondContact O-N 2.82Å; T1764-K2169 PolarHBondContact OG1-N 3.46Å; T1764-K2169 PolarHBondContact OG1-O 3.49Å | ||
| 2170 | W | 66.6 | Low | 59.4 | Low | 53 Ų | 53 | 72.2 Ų | 72.2 | 20% | 0.201 | 40% | 0.397 | C | S | . | . | trans | -49.6 | 145.3 | 163 | -69.1 | 100.3 | 0 | 0 | 0 | 110.8 | T2142 S2155 C2164 K2174 | T2142-W2170 HydrophobicContact CG2-CZ2 3.91Å; S2155-W2170 VanDerWaalsContact CB-CH2 3.45Å; S2155-W2170 VanDerWaalsContact OG-CH2 3.3Å; S2155-W2170 WeakPolarHBondContact OG-CH2 3.4Å; C2164-W2170 VanDerWaalsContact SG-CD2 3.54Å; C2164-W2170 VanDerWaalsContact SG-CE2 3.59Å; W2170-K2174 HydrophobicContact CB-CB 4.4Å; W2170-K2174 HydrophobicContact CB-CG 4.13Å; W2170-K2174 HydrophobicContact CD2-CB 4.33Å; W2170-K2174 VanDerWaalsContact CE3-C 3.46Å; W2170-K2174 HydrophobicContact CE3-CB 4.34Å; W2170-K2174 HydrophobicContact CG-CB 4.4Å; W2170-K2174 HydrophobicContact CG-CG 4.36Å; W2170-K2174 WeakPolarHBondContact CZ3-O 3.46Å | ||
| 2171 | N | 51.7 | Low | 58.2 | Low | 12 Ų | 12 | 79.2 Ų | 79.2 | 6% | 0.064 | 42% | 0.421 | C | S | . | . | trans | -56.5 | 166.5 | 160.5 | 67.2 | -16.8 | 0 | 0 | 0 | 111.2 | A1765 H1766 D2173 K2174 T2175 V2176 V2178 | A1765-N2171 WeakPolarHBondContact O-CA 3.26Å; H1766-N2171 WeakPolarHBondContact CD2-CB 3.23Å; H1766-N2171 WeakPolarHBondContact NE2-CB 3.16Å; N2171-D2173 PolarHBondContact O-N 2.96Å; N2171-K2174 PolarHBondContact O-N 2.93Å; N2171-K2174 PolarHBondContact OD1-N 2.93Å; N2171-T2175 PolarHBondContact ND2-OG1 3.18Å; N2171-T2175 PolarHBondContact OD1-N 2.74Å; N2171-T2175 PolarHBondContact OD1-OG1 2.83Å; N2171-V2176 PolarHBondContact N-O 2.9Å; N2171-V2176 PolarHBondContact OD1-N 3.31Å; N2171-V2176 PolarHBondContact OD1-O 3.4Å; N2171-V2178 HydrophobicContact CB-CG2 4.44Å | ||
| 2172 | V | 60.5 | Low | 56.4 | Low | 102 Ų | 102 | 81.6 Ų | 81.6 | 62% | 0.618 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -38.8 | -174.3 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | H1766 V1767 K2174 | H1766-V2172 HydrophobicContact CB-CG2 3.64Å; V1767-V2172 HydrophobicContact CB-CG2 4.38Å; V1767-V2172 HydrophobicContact CG2-CG2 4.35Å; V2172-K2174 VanDerWaalsContact C-N 3.35Å; V2172-K2174 PolarHBondContact O-N 2.84Å |
| 2173 | D | 47.5 | Very low | 54.4 | Low | 124 Ų | 124 | 85.2 Ų | 85.2 | 66% | 0.663 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2.5 | -176.4 | -48.9 | -49.6 | 0 | 0 | 0 | 114.5 | N2171 T2175 | N2171-D2173 PolarHBondContact O-N 2.96Å; D2173-T2175 VanDerWaalsContact C-N 3.26Å; D2173-T2175 HydrophobicContact CB-CG2 4.18Å; D2173-T2175 PolarHBondContact O-N 2.03Å |
| 2174 | K | 55 | Low | 52.4 | Low | 150 Ų | 150 | 83.9 Ų | 83.9 | 65% | 0.652 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 55.1 | 36.8 | -175 | -56 | -178.9 | -177.8 | 178.7 | 0 | 114.5 | W2170 N2171 V2172 | W2170-K2174 HydrophobicContact CB-CB 4.4Å; W2170-K2174 HydrophobicContact CB-CG 4.13Å; W2170-K2174 HydrophobicContact CD2-CB 4.33Å; W2170-K2174 VanDerWaalsContact CE3-C 3.46Å; W2170-K2174 HydrophobicContact CE3-CB 4.34Å; W2170-K2174 HydrophobicContact CG-CB 4.4Å; W2170-K2174 HydrophobicContact CG-CG 4.36Å; W2170-K2174 WeakPolarHBondContact CZ3-O 3.46Å; N2171-K2174 PolarHBondContact O-N 2.93Å; N2171-K2174 PolarHBondContact OD1-N 2.93Å; V2172-K2174 VanDerWaalsContact C-N 3.35Å; V2172-K2174 PolarHBondContact O-N 2.84Å |
| 2175 | T | 58.9 | Low | 50.2 | Low | 56 Ų | 56 | 88.7 Ų | 88.7 | 34% | 0.344 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -104.5 | -28.7 | 178.7 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | G2153 N2171 D2173 | G2153-T2175 WeakPolarHBondContact CA-O 3.46Å; N2171-T2175 PolarHBondContact ND2-OG1 3.18Å; N2171-T2175 PolarHBondContact OD1-N 2.74Å; N2171-T2175 PolarHBondContact OD1-OG1 2.83Å; D2173-T2175 VanDerWaalsContact C-N 3.26Å; D2173-T2175 HydrophobicContact CB-CG2 4.18Å; D2173-T2175 PolarHBondContact O-N 2.03Å |
| 2176 | V | 66.2 | Low | 48.2 | Very low | 51 Ų | 51 | 90.2 Ų | 90.2 | 31% | 0.309 | 50% | 0.502 | S | S | . | . | trans | -146.5 | 143.8 | -175.1 | -161.2 | 0 | 0 | 0 | 0 | 112.9 | G2153 N2171 V2178 | G2153-V2176 WeakPolarHBondContact O-CG1 3.45Å; N2171-V2176 PolarHBondContact N-O 2.9Å; N2171-V2176 PolarHBondContact OD1-N 3.31Å; N2171-V2176 PolarHBondContact OD1-O 3.4Å; V2176-V2178 HydrophobicContact CG1-CG1 3.77Å | ||
| 2177 | C | 64.4 | Low | 46.6 | Very low | 22 Ų | 22 | 92.2 Ų | 92.2 | 15% | 0.149 | 50% | 0.499 | C | S | . | . | trans | -89.2 | 95.7 | 161.3 | -24.9 | 0 | 0 | 0 | 0 | 108.6 | T1764 G2153 C2164 | T1764-C2177 HydrophobicContact CG2-CB 3.68Å; T1764-C2177 VanDerWaalsContact CG2-O 3.22Å; T1764-C2177 WeakPolarHBondContact CG2-O 3.44Å; G2153-C2177 PolarHBondContact O-N 2.81Å; G2153-C2177 PolarHBondContact O-SG 3.49Å; C2164-C2177 HydrophobicContact CB-CB 3.97Å; C2164-C2177 WeakPolarHBondContact CB-SG 3.42Å; C2164-C2177 WeakPolarHBondContact SG-CB 3.21Å; C2164-C2177 CovalentContact SG-SG 2.05Å; C2164-C2177 PolarHBondContact SG-SG 2.81Å | ||
| 2178 | V | 66.6 | Low | 45.4 | Very low | 67 Ų | 67 | 97.8 Ų | 97.8 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | trans | -118.9 | 140.4 | 173.8 | -84.1 | 0 | 0 | 0 | 0 | 114.1 | T1764 A1765 N2171 V2176 | T1764-V2178 CarbonylContact C-O 3.32Å; T1764-V2178 WeakPolarHBondContact CA-O 3.02Å; T1764-V2178 VanDerWaalsContact CB-C 3.45Å; T1764-V2178 VanDerWaalsContact CB-N 3.32Å; T1764-V2178 WeakPolarHBondContact CB-O 3.12Å; A1765-V2178 WeakPolarHBondContact CB-O 3.41Å; A1765-V2178 PolarHBondContact N-O 3.28Å; N2171-V2178 HydrophobicContact CB-CG2 4.44Å; V2176-V2178 HydrophobicContact CG1-CG1 3.77Å | ||
| 2179 | S | 44.7 | Very low | 43.8 | Very low | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | B | Isolated β-bridge | trans | -62.7 | 137.2 | -147.9 | -102.7 | 0 | 0 | 0 | 0 | 121.1 | S1763 A1765 E2181 | S1763-S2179 CarbonylContact O-C 3.58Å; S1763-S2179 WeakPolarHBondContact O-CA 3.38Å; S1763-S2179 WeakPolarHBondContact O-CB 3.29Å; S1763-S2179 PolarHBondContact O-OG 3.34Å; A1765-S2179 WeakPolarHBondContact CB-O 3.42Å; S2179-E2181 PolarHBondContact O-N 3.07Å |
| 2180 | T | 41 | Very low | 41.7 | Very low | 76 Ų | 76 | 99.5 Ų | 99.5 | 47% | 0.466 | 55% | 0.548 | S | S | . | . | trans | -75.8 | 99.8 | 179.6 | -3.3 | 0 | 0 | 0 | 0 | 112.9 | S1763 T1764 A1765 N2167 | S1763-T2180 VanDerWaalsContact C-OG1 3.28Å; S1763-T2180 PolarHBondContact O-N 3.38Å; S1763-T2180 PolarHBondContact O-OG1 2.93Å; T1764-T2180 VanDerWaalsContact CA-N 3.31Å; T1764-T2180 VanDerWaalsContact CA-OG1 3.24Å; T1764-T2180 WeakPolarHBondContact CA-OG1 3.05Å; T1764-T2180 PolarHBondContact N-OG1 2.74Å; T1764-T2180 WeakPolarHBondContact O-CG2 3.41Å; T1764-T2180 PolarHBondContact O-OG1 3.07Å; A1765-T2180 HydrophobicContact CB-CG2 4.26Å; N2167-T2180 PolarHBondContact O-OG1 2.93Å | ||
| 2181 | E | 37.3 | Very low | 39.7 | Very low | 178 Ų | 178 | 102 Ų | 102 | 83% | 0.832 | 58% | 0.58 | S | S | * | * | trans | -176.2 | 161.1 | 147.7 | -110.6 | 175.4 | -150.2 | 0 | 0 | 107.8 | S2179 | S2179-E2181 PolarHBondContact O-N 3.07Š| ||
| 2182 | P | 31.6 | Very low | 38.3 | Very low | 98 Ų | 98 | 105.8 Ų | 105.8 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | cis | -128.1 | 174.4 | -10.5 | 38.9 | -23.9 | 0 | 0 | 0 | 115.1 | ||||
| 2183 | A | 25.3 | Very low | 36.6 | Very low | 77 Ų | 77 | 109.2 Ų | 109.2 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | trans | 74.4 | -153.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | S1770 | S1770-A2183 WeakPolarHBondContact O-CB 3.32Š| ||
| 2184 | L | 23.3 | Very low | 35.6 | Very low | 73 Ų | 73 | 109.5 Ų | 109.5 | 38% | 0.382 | 63% | 0.634 | S | S | . | * | trans | 107.1 | 153.4 | 159.9 | -38.9 | 158.1 | 0 | 0 | 0 | 118.8 | N1768 S1770 | N1768-L2184 VanDerWaalsContact CA-CD1 3.42Å; S1770-L2184 WeakPolarHBondContact O-CD2 3.4Å; S1770-L2184 PolarHBondContact O-N 3.01Å; S1770-L2184 WeakPolarHBondContact OG-CA 3.22Å; S1770-L2184 PolarHBondContact OG-N 3.03Å; S1770-L2184 PolarHBondContact OG-O 3.27Å | ||
| 2185 | L | 22.7 | Very low | 34.3 | Very low | 117 Ų | 117 | 105.4 Ų | 105.4 | 61% | 0.613 | 63% | 0.634 | S | S | * | * | trans | -85.6 | 158.7 | -153.8 | -100.3 | 137.2 | 0 | 0 | 0 | 117.3 | E1769 S1770 | E1769-L2185 WeakPolarHBondContact O-CA 3.47Å; E1769-L2185 WeakPolarHBondContact O-CB 3.26Å; E1769-L2185 WeakPolarHBondContact O-CD1 3.07Å; E1769-L2185 WeakPolarHBondContact O-CG 3.45Å; E1769-L2185 PolarHBondContact O-N 3.05Å; S1770-L2185 VanDerWaalsContact CB-CD1 3.48Å; S1770-L2185 VanDerWaalsContact CB-N 3.33Å; S1770-L2185 PolarHBondContact OG-N 3.21Å | ||
| 2186 | S | 23.7 | Very low | 32.6 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | 166.5 | 171 | 90.3 | -150.4 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 2187 | Y | 19.9 | Very low | 30.9 | Very low | 205 Ų | 205 | 116.7 Ų | 116.7 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -6.7 | 129.3 | 168.9 | -96.9 | -120.6 | 0 | 0 | 0 | 118.7 | ||||
| 2188 | R | 20.7 | Very low | 29.6 | Very low | 238 Ų | 238 | 121.4 Ų | 121.4 | 90% | 0.898 | 71% | 0.709 | S | S | * | * | cis | 80.7 | 109.1 | 26.6 | -156.7 | -170.7 | -161.7 | -168.2 | 7.8 | 116 | ||||
| 2189 | G | 25.4 | Very low | 28.6 | Very low | 69 Ų | 69 | 122.1 Ų | 122.1 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | 133.1 | 139.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2190 | T | 22.8 | Very low | 29.4 | Very low | 145 Ų | 145 | 122.1 Ų | 122.1 | 89% | 0.89 | 71% | 0.71 | S | S | * | * | cis | -154.2 | 178.1 | -6.2 | 34.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2191 | A | 24.5 | Very low | 30.8 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 88% | 0.876 | 69% | 0.69 | S | S | * | * | trans | 75.2 | 162.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2192 | A | 22.9 | Very low | 32.8 | Very low | 91 Ų | 91 | 114.4 Ų | 114.4 | 75% | 0.752 | 67% | 0.672 | S | S | * | * | trans | -154 | 179.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2193 | E | 23.4 | Very low | 35 | Very low | 174 Ų | 174 | 110.5 Ų | 110.5 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | trans | 82.2 | 140.9 | 174.3 | -51.3 | -167 | 148.2 | 0 | 0 | 117.2 | ||||
| 2194 | S | 27.6 | Very low | 37.2 | Very low | 131 Ų | 131 | 108.9 Ų | 108.9 | 92% | 0.916 | 64% | 0.637 | S | S | * | * | trans | 78 | 103.9 | 175.2 | -50.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2195 | G | 27.5 | Very low | 39.9 | Very low | 63 Ų | 63 | 109 Ų | 109 | 65% | 0.649 | 64% | 0.638 | S | S | * | * | trans | 123.7 | 100.4 | 138.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2196 | W | 23.8 | Very low | 42.6 | Very low | 247 Ų | 247 | 109.4 Ų | 109.4 | 94% | 0.936 | 64% | 0.641 | S | S | * | * | trans | 51.6 | 97.6 | 140.4 | -48.5 | 106.7 | 0 | 0 | 0 | 120.4 | ||||
| 2197 | A | 29.8 | Very low | 45.3 | Very low | 97 Ų | 97 | 104.9 Ų | 104.9 | 80% | 0.802 | 61% | 0.609 | S | S | * | * | trans | -90.9 | 118.1 | 148.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | V2199 | A2197-V2199 PolarHBondContact O-N 3.12Š| ||
| 2198 | L | 37.9 | Very low | 47.9 | Very low | 121 Ų | 121 | 103.6 Ų | 103.6 | 63% | 0.634 | 60% | 0.603 | S | S | * | * | trans | -75.4 | 112.6 | -174.5 | -174.6 | 70.4 | 0 | 0 | 0 | 111.1 | V2200 L2212 | L2198-V2200 HydrophobicContact CD2-CG2 4.23Å; L2198-V2200 HydrophobicContact CG-CG2 4.19Å; L2198-L2212 HydrophobicContact CD1-CB 4.24Å; L2198-L2212 HydrophobicContact CD2-CD2 4.32Å | ||
| 2199 | V | 43.8 | Very low | 49.5 | Very low | 82 Ų | 82 | 99.9 Ų | 99.9 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | trans | -87.7 | 134.3 | 167.7 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | A2197 E2211 L2212 | A2197-V2199 PolarHBondContact O-N 3.12Å; V2199-E2211 HydrophobicContact CB-CG 4.15Å; V2199-E2211 HydrophobicContact CG1-CG 4.49Å; V2199-L2212 PolarHBondContact O-N 3.47Å; V2199-L2212 VanDerWaalsContact O-N 3.09Å | ||
| 2200 | V | 62 | Low | 50.9 | Low | 79 Ų | 79 | 99.5 Ų | 99.5 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.8 | -176.8 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | L2198 L2212 | L2198-V2200 HydrophobicContact CD2-CG2 4.23Å; L2198-V2200 HydrophobicContact CG-CG2 4.19Å; V2200-L2212 VanDerWaalsContact CA-O 3.31Å; V2200-L2212 WeakPolarHBondContact CA-O 3.36Å; V2200-L2212 WeakPolarHBondContact CG1-O 3.41Å; V2200-L2212 HydrophobicContact CG2-CB 4.47Å |
| 2201 | A | 70.8 | Confident | 52.8 | Low | 6 Ų | 6 | 94.8 Ų | 94.8 | 5% | 0.05 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 150 | -177 | 0 | 0 | 0 | 0 | 0 | 110.6 | D2205 C2207 L2212 C2213 S2214 C2224 | A2201-D2205 HydrophobicContact CB-CB 4.05Å; A2201-C2207 HydrophobicContact CB-CB 4.35Å; A2201-L2212 PolarHBondContact N-O 3.1Å; A2201-C2213 CarbonylContact O-C 3.56Å; A2201-C2213 WeakPolarHBondContact O-CA 3.4Å; A2201-S2214 WeakPolarHBondContact O-CB 3.22Å; A2201-S2214 PolarHBondContact O-N 2.8Å; A2201-S2214 PolarHBondContact O-OG 2.72Å; A2201-C2224 WeakPolarHBondContact CB-SG 3.31Å |
| 2202 | L | 79.4 | Confident | 54.9 | Low | 87 Ų | 87 | 94.5 Ų | 94.5 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | trans | -96.3 | 160 | -177.4 | -68.6 | 161.6 | 0 | 0 | 0 | 111.7 | G2204 D2205 S2214 C2224 | L2202-G2204 PolarHBondContact O-N 3.44Å; L2202-D2205 WeakPolarHBondContact CB-OD2 3.02Å; L2202-D2205 PolarHBondContact N-OD2 2.92Å; L2202-D2205 WeakPolarHBondContact O-CB 3.36Å; L2202-D2205 PolarHBondContact O-N 3.1Å; L2202-S2214 WeakPolarHBondContact CD2-OG 3.2Å; L2202-C2224 WeakPolarHBondContact O-CB 3.47Å | ||
| 2203 | P | 78.3 | Confident | 57.3 | Low | 16 Ų | 16 | 91 Ų | 91 | 10% | 0.104 | 52% | 0.519 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 111.9 | 172.6 | -23.9 | 31.8 | 0 | 0 | 0 | 112.5 | S2214 S2217 C2224 P2232 G2235 | P2203-S2214 WeakPolarHBondContact CD-O 3.14Å; P2203-S2214 WeakPolarHBondContact CG-O 3.06Å; P2203-S2217 WeakPolarHBondContact CG-OG 3.04Å; P2203-C2224 CarbonylContact C-O 3.47Å; P2203-C2224 WeakPolarHBondContact CA-O 3.29Å; P2203-P2232 HydrophobicContact CB-CB 3.75Å; P2203-G2235 WeakPolarHBondContact CD-O 3.42Å; P2203-G2235 WeakPolarHBondContact CG-O 3.21Å |
| 2204 | G | 70.6 | Confident | 59.7 | Low | 43 Ų | 43 | 84.1 Ų | 84.1 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 112.6 | -21.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | L2202 K2223 C2224 | L2202-G2204 PolarHBondContact O-N 3.44Å; G2204-K2223 WeakPolarHBondContact O-CE 3.44Å; G2204-C2224 PolarHBondContact N-O 2.93Å |
| 2205 | D | 80.7 | Confident | 61.8 | Low | 76 Ų | 76 | 79.2 Ų | 79.2 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -74.4 | 155.9 | 179.6 | -70.1 | -21.7 | 0 | 0 | 0 | 112.5 | A2201 L2202 K2223 C2224 | A2201-D2205 HydrophobicContact CB-CB 4.05Å; L2202-D2205 WeakPolarHBondContact CB-OD2 3.02Å; L2202-D2205 PolarHBondContact N-OD2 2.92Å; L2202-D2205 WeakPolarHBondContact O-CB 3.36Å; L2202-D2205 PolarHBondContact O-N 3.1Å; D2205-K2223 WeakPolarHBondContact O-CA 3Å; D2205-K2223 WeakPolarHBondContact O-CG 3.44Å; D2205-C2224 PolarHBondContact O-N 2.7Å |
| 2206 | D | 78.9 | Confident | 64 | Low | 125 Ų | 125 | 78.7 Ų | 78.7 | 67% | 0.668 | 45% | 0.454 | S | S | * | . | B | Isolated β-bridge | trans | -72.5 | 133.7 | 166.1 | -65 | -25.2 | 0 | 0 | 0 | 110.6 | R2222 | D2206-R2222 CarbonylContact C-O 3.46Å; D2206-R2222 VanDerWaalsContact CA-O 3.26Å; D2206-R2222 WeakPolarHBondContact CA-O 3.46Å |
| 2207 | C | 81.5 | Confident | 66.6 | Low | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.014 | 41% | 0.412 | C | S | . | . | trans | -125.8 | 139.5 | -179.2 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | A2201 C2219 R2222 K2223 | A2201-C2207 HydrophobicContact CB-CB 4.35Å; C2207-C2219 HydrophobicContact CB-CB 4.04Å; C2207-C2219 WeakPolarHBondContact CB-SG 3.21Å; C2207-C2219 WeakPolarHBondContact SG-CA 3.43Å; C2207-C2219 WeakPolarHBondContact SG-CB 3.46Å; C2207-C2219 CovalentContact SG-SG 2.04Å; C2207-C2219 PolarHBondContact SG-SG 2.87Å; C2207-R2222 PolarHBondContact N-O 2.84Å; C2207-R2222 CarbonylContact O-C 3.51Å; C2207-R2222 VanDerWaalsContact O-CA 3.25Å; C2207-R2222 WeakPolarHBondContact O-CA 3.47Å; C2207-R2222 VanDerWaalsContact SG-C 3.5Å; C2207-K2223 PolarHBondContact SG-N 2.96Å; C2207-K2223 VanDerWaalsContact SG-N 3.42Å | ||
| 2208 | R | 73.4 | Confident | 69 | Low | 177 Ų | 177 | 69 Ų | 69 | 67% | 0.668 | 41% | 0.405 | S | S | * | . | trans | -96.7 | 159.8 | 175.7 | -55.6 | 172.2 | -170.7 | -152.9 | -3.6 | 110.5 | G2210 E2211 | R2208-G2210 PolarHBondContact O-N 2.86Å; R2208-E2211 HydrophobicContact CB-CG 4.04Å; R2208-E2211 WeakPolarHBondContact CB-OE2 3.44Å; R2208-E2211 WeakPolarHBondContact CD-OE1 3.42Å; R2208-E2211 VanDerWaalsContact CG-OE2 3.28Å; R2208-E2211 WeakPolarHBondContact CG-OE2 3.05Å; R2208-E2211 PolarHBondContact N-OE2 3.29Å; R2208-E2211 IonicContact NE-OE1 3.68Å; R2208-E2211 PolarHBondContact O-N 3.46Å | ||
| 2209 | N | 55.2 | Low | 71.1 | Confident | 160 Ų | 160 | 65.8 Ų | 65.8 | 86% | 0.856 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 105.9 | 175.3 | -69.2 | 7.3 | 0 | 0 | 0 | 110.3 | ||
| 2210 | G | 55 | Low | 72.5 | Confident | 62 Ų | 62 | 67 Ų | 67 | 64% | 0.639 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.9 | -7.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R2208 | R2208-G2210 PolarHBondContact O-N 2.86Š|
| 2211 | E | 61 | Low | 72.8 | Confident | 45 Ų | 45 | 66.8 Ų | 66.8 | 21% | 0.21 | 41% | 0.41 | C | S | . | . | trans | -82.6 | 137 | 170 | -64.7 | 177.5 | 161.5 | 0 | 0 | 109.7 | V2199 R2208 | V2199-E2211 HydrophobicContact CB-CG 4.15Å; V2199-E2211 HydrophobicContact CG1-CG 4.49Å; R2208-E2211 HydrophobicContact CB-CG 4.04Å; R2208-E2211 WeakPolarHBondContact CB-OE2 3.44Å; R2208-E2211 WeakPolarHBondContact CD-OE1 3.42Å; R2208-E2211 VanDerWaalsContact CG-OE2 3.28Å; R2208-E2211 WeakPolarHBondContact CG-OE2 3.05Å; R2208-E2211 PolarHBondContact N-OE2 3.29Å; R2208-E2211 IonicContact NE-OE1 3.68Å; R2208-E2211 PolarHBondContact O-N 3.46Å | ||
| 2212 | L | 69.1 | Low | 73 | Confident | 100 Ų | 100 | 75.2 Ų | 75.2 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 112.6 | -171.5 | -170.7 | 71.9 | 0 | 0 | 0 | 110.3 | L2198 V2199 V2200 A2201 | L2198-L2212 HydrophobicContact CD1-CB 4.24Å; L2198-L2212 HydrophobicContact CD2-CD2 4.32Å; V2199-L2212 PolarHBondContact O-N 3.47Å; V2199-L2212 VanDerWaalsContact O-N 3.09Å; V2200-L2212 VanDerWaalsContact CA-O 3.31Å; V2200-L2212 WeakPolarHBondContact CA-O 3.36Å; V2200-L2212 WeakPolarHBondContact CG1-O 3.41Å; V2200-L2212 HydrophobicContact CG2-CB 4.47Å; A2201-L2212 PolarHBondContact N-O 3.1Å |
| 2213 | C | 73.8 | Confident | 73 | Confident | 19 Ų | 19 | 75.8 Ų | 75.8 | 13% | 0.128 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 134.1 | 169.1 | -68.7 | 0 | 0 | 0 | 0 | 110.7 | A2201 S2217 C2219 C2224 | A2201-C2213 CarbonylContact O-C 3.56Å; A2201-C2213 WeakPolarHBondContact O-CA 3.4Å; C2213-S2217 VanDerWaalsContact CB-O 3.25Å; C2213-S2217 WeakPolarHBondContact CB-O 3.41Å; C2213-S2217 WeakPolarHBondContact CB-OG 3.43Å; C2213-C2219 WeakPolarHBondContact SG-CA 3.41Å; C2213-C2219 WeakPolarHBondContact SG-CB 3.1Å; C2213-C2219 PolarHBondContact SG-N 3.43Å; C2213-C2224 VanDerWaalsContact CA-SG 3.51Å; C2213-C2224 HydrophobicContact CB-CB 3.91Å; C2213-C2224 WeakPolarHBondContact CB-SG 2.92Å; C2213-C2224 WeakPolarHBondContact SG-CA 3.4Å; C2213-C2224 WeakPolarHBondContact SG-CB 3.13Å; C2213-C2224 CovalentContact SG-SG 2.04Å; C2213-C2224 PolarHBondContact SG-SG 2.72Å |
| 2214 | S | 74.3 | Confident | 73.1 | Confident | 29 Ų | 29 | 75 Ų | 75 | 20% | 0.203 | 43% | 0.434 | C | S | . | . | trans | -111.4 | -175.8 | -177.2 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | A2201 L2202 P2203 G2216 S2217 | A2201-S2214 WeakPolarHBondContact O-CB 3.22Å; A2201-S2214 PolarHBondContact O-N 2.8Å; A2201-S2214 PolarHBondContact O-OG 2.72Å; L2202-S2214 WeakPolarHBondContact CD2-OG 3.2Å; P2203-S2214 WeakPolarHBondContact CD-O 3.14Å; P2203-S2214 WeakPolarHBondContact CG-O 3.06Å; S2214-G2216 PolarHBondContact O-N 3.45Å; S2214-S2217 PolarHBondContact O-N 2.04Å; S2214-S2217 PolarHBondContact O-OG 3.45Å | ||
| 2215 | G | 70.9 | Confident | 73.5 | Confident | 27 Ų | 27 | 76.7 Ų | 76.7 | 28% | 0.278 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 7.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G2235 C2237 | G2215-G2235 VanDerWaalsContact CA-O 3.27Å; G2215-G2235 WeakPolarHBondContact CA-O 3.07Å; G2215-C2237 WeakPolarHBondContact O-CB 3.4Å; G2215-C2237 PolarHBondContact O-N 3.02Å |
| 2216 | G | 73.1 | Confident | 73.3 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 54% | 0.536 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 10.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S2214 P2227 C2237 | S2214-G2216 PolarHBondContact O-N 3.45Å; G2216-P2227 VanDerWaalsContact O-CD 3.26Å; G2216-P2227 WeakPolarHBondContact O-CD 3.12Å; G2216-C2237 VanDerWaalsContact C-SG 3.59Å |
| 2217 | S | 79.6 | Confident | 72.8 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | trans | -81.1 | 160.8 | 169.8 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | P2203 C2213 S2214 I2225 C2237 | P2203-S2217 WeakPolarHBondContact CG-OG 3.04Å; C2213-S2217 VanDerWaalsContact CB-O 3.25Å; C2213-S2217 WeakPolarHBondContact CB-O 3.41Å; C2213-S2217 WeakPolarHBondContact CB-OG 3.43Å; S2214-S2217 PolarHBondContact O-N 2.04Å; S2214-S2217 PolarHBondContact O-OG 3.45Å; S2217-I2225 CarbonylContact C-O 3.6Å; S2217-I2225 VanDerWaalsContact CA-O 3.24Å; S2217-I2225 WeakPolarHBondContact CA-O 3.49Å; S2217-I2225 VanDerWaalsContact CB-O 3.23Å; S2217-I2225 WeakPolarHBondContact CB-O 3Å; S2217-C2237 PolarHBondContact N-SG 3.34Å; S2217-C2237 VanDerWaalsContact N-SG 3.41Å | ||
| 2218 | M | 79.3 | Confident | 71.6 | Confident | 132 Ų | 132 | 78.7 Ų | 78.7 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 142.4 | 178.3 | -64.7 | -178.4 | 64.5 | 0 | 0 | 109.9 | N2220 I2225 | M2218-N2220 PolarHBondContact O-N 3.05Å; M2218-I2225 PolarHBondContact N-O 3.23Å; M2218-I2225 PolarHBondContact O-N 3.27Å |
| 2219 | C | 82 | Confident | 70.5 | Confident | 55 Ų | 55 | 71.6 Ų | 71.6 | 37% | 0.372 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 110.9 | 178.4 | -167.7 | 0 | 0 | 0 | 0 | 109.6 | C2207 C2213 | C2207-C2219 HydrophobicContact CB-CB 4.04Å; C2207-C2219 WeakPolarHBondContact CB-SG 3.21Å; C2207-C2219 WeakPolarHBondContact SG-CA 3.43Å; C2207-C2219 WeakPolarHBondContact SG-CB 3.46Å; C2207-C2219 CovalentContact SG-SG 2.04Å; C2207-C2219 PolarHBondContact SG-SG 2.87Å; C2213-C2219 WeakPolarHBondContact SG-CA 3.41Å; C2213-C2219 WeakPolarHBondContact SG-CB 3.1Å; C2213-C2219 PolarHBondContact SG-N 3.43Å |
| 2220 | N | 73.3 | Confident | 71 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 57% | 0.572 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.4 | 174.4 | -171.6 | 13.9 | 0 | 0 | 0 | 109.3 | M2218 R2222 K2223 I2225 | M2218-N2220 PolarHBondContact O-N 3.05Å; N2220-R2222 PolarHBondContact O-N 3.34Å; N2220-R2222 VanDerWaalsContact O-N 3.14Å; N2220-K2223 PolarHBondContact N-O 3.26Å; N2220-K2223 PolarHBondContact O-N 3.28Å; N2220-I2225 HydrophobicContact CB-CD1 3.6Å; N2220-I2225 HydrophobicContact CB-CG1 3.84Å |
| 2221 | G | 69.7 | Low | 71.2 | Confident | 75 Ų | 75 | 64.5 Ų | 64.5 | 77% | 0.773 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 31.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K2223 | G2221-K2223 VanDerWaalsContact C-N 3.33Š|
| 2222 | R | 74.2 | Confident | 71.4 | Confident | 183 Ų | 183 | 63.9 Ų | 63.9 | 69% | 0.691 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 17.5 | -169.1 | -80.8 | -170.6 | 175.7 | 116.1 | -1.4 | 116.5 | D2206 C2207 N2220 | D2206-R2222 CarbonylContact C-O 3.46Å; D2206-R2222 VanDerWaalsContact CA-O 3.26Å; D2206-R2222 WeakPolarHBondContact CA-O 3.46Å; C2207-R2222 PolarHBondContact N-O 2.84Å; C2207-R2222 CarbonylContact O-C 3.51Å; C2207-R2222 VanDerWaalsContact O-CA 3.25Å; C2207-R2222 WeakPolarHBondContact O-CA 3.47Å; C2207-R2222 VanDerWaalsContact SG-C 3.5Å; N2220-R2222 PolarHBondContact O-N 3.34Å; N2220-R2222 VanDerWaalsContact O-N 3.14Å |
| 2223 | K | 78.4 | Confident | 70.7 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.6 | 176.1 | -149 | 165.9 | -171.3 | 169.2 | 0 | 112.5 | G2204 D2205 C2207 N2220 G2221 I2225 | G2204-K2223 WeakPolarHBondContact O-CE 3.44Å; D2205-K2223 WeakPolarHBondContact O-CA 3Å; D2205-K2223 WeakPolarHBondContact O-CG 3.44Å; C2207-K2223 PolarHBondContact SG-N 2.96Å; C2207-K2223 VanDerWaalsContact SG-N 3.42Å; N2220-K2223 PolarHBondContact N-O 3.26Å; N2220-K2223 PolarHBondContact O-N 3.28Å; G2221-K2223 VanDerWaalsContact C-N 3.33Å; K2223-I2225 HydrophobicContact CB-CG2 4.49Å; K2223-I2225 PolarHBondContact O-N 3.17Å |
| 2224 | C | 80.9 | Confident | 69.5 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 89.2 | 175.8 | -75 | 0 | 0 | 0 | 0 | 110.1 | A2201 L2202 P2203 G2204 D2205 C2213 | A2201-C2224 WeakPolarHBondContact CB-SG 3.31Å; L2202-C2224 WeakPolarHBondContact O-CB 3.47Å; P2203-C2224 CarbonylContact C-O 3.47Å; P2203-C2224 WeakPolarHBondContact CA-O 3.29Å; G2204-C2224 PolarHBondContact N-O 2.93Å; D2205-C2224 PolarHBondContact O-N 2.7Å; C2213-C2224 VanDerWaalsContact CA-SG 3.51Å; C2213-C2224 HydrophobicContact CB-CB 3.91Å; C2213-C2224 WeakPolarHBondContact CB-SG 2.92Å; C2213-C2224 WeakPolarHBondContact SG-CA 3.4Å; C2213-C2224 WeakPolarHBondContact SG-CB 3.13Å; C2213-C2224 CovalentContact SG-SG 2.04Å; C2213-C2224 PolarHBondContact SG-SG 2.72Å |
| 2225 | I | 80.1 | Confident | 68.8 | Low | 78 Ų | 78 | 68 Ų | 68 | 40% | 0.4 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 146.6 | 178.3 | 61.7 | 169.1 | 0 | 0 | 0 | 111.2 | S2217 M2218 N2220 K2223 | S2217-I2225 CarbonylContact C-O 3.6Å; S2217-I2225 VanDerWaalsContact CA-O 3.24Å; S2217-I2225 WeakPolarHBondContact CA-O 3.49Å; S2217-I2225 VanDerWaalsContact CB-O 3.23Å; S2217-I2225 WeakPolarHBondContact CB-O 3Å; M2218-I2225 PolarHBondContact N-O 3.23Å; M2218-I2225 PolarHBondContact O-N 3.27Å; N2220-I2225 HydrophobicContact CB-CD1 3.6Å; N2220-I2225 HydrophobicContact CB-CG1 3.84Å; K2223-I2225 HydrophobicContact CB-CG2 4.49Å; K2223-I2225 PolarHBondContact O-N 3.17Å |
| 2226 | C | 74.8 | Confident | 68.5 | Low | 23 Ų | 23 | 71.3 Ų | 71.3 | 16% | 0.155 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 153.1 | 169.9 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | M2230 C2237 | C2226-M2230 HydrophobicContact CB-CB 4.42Å; C2226-M2230 WeakPolarHBondContact CB-O 3.48Å; C2226-M2230 PolarHBondContact SG-O 3.34Å; C2226-C2237 WeakPolarHBondContact CA-SG 3.44Å; C2226-C2237 HydrophobicContact CB-CB 3.66Å; C2226-C2237 WeakPolarHBondContact CB-SG 3.43Å; C2226-C2237 WeakPolarHBondContact SG-CA 3.46Å; C2226-C2237 WeakPolarHBondContact SG-CB 3.5Å; C2226-C2237 CovalentContact SG-SG 2.03Å; C2226-C2237 PolarHBondContact SG-SG 3.45Å |
| 2227 | P | 68.9 | Low | 68.1 | Low | 51 Ų | 51 | 69.5 Ų | 69.5 | 33% | 0.331 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 153 | 168.6 | -22.3 | 33.5 | 0 | 0 | 0 | 112.4 | G2216 G2229 M2230 | G2216-P2227 VanDerWaalsContact O-CD 3.26Å; G2216-P2227 WeakPolarHBondContact O-CD 3.12Å; P2227-G2229 PolarHBondContact O-N 2.73Å; P2227-M2230 WeakPolarHBondContact O-CB 3.35Å; P2227-M2230 PolarHBondContact O-N 3.5Å |
| 2228 | D | 55.8 | Low | 67.1 | Low | 170 Ų | 170 | 72.6 Ų | 72.6 | 91% | 0.909 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 139 | -179.7 | -60.6 | -64.6 | 0 | 0 | 0 | 112.6 | M2230 | D2228-M2230 VanDerWaalsContact C-N 3.28Å; D2228-M2230 PolarHBondContact O-N 2.81Å |
| 2229 | G | 50.2 | Low | 65.7 | Low | 28 Ų | 28 | 75.7 Ų | 75.7 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 5.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P2227 G2240 | P2227-G2229 PolarHBondContact O-N 2.73Å; G2229-G2240 PolarHBondContact O-N 2.87Å |
| 2230 | M | 66.7 | Low | 64.1 | Low | 60 Ų | 60 | 74 Ų | 74 | 30% | 0.296 | 40% | 0.402 | S | S | . | . | trans | -120.8 | 91.3 | 176 | -52.6 | -146.9 | -173.6 | 0 | 0 | 113.3 | C2226 P2227 D2228 C2237 I2238 R2239 | C2226-M2230 HydrophobicContact CB-CB 4.42Å; C2226-M2230 WeakPolarHBondContact CB-O 3.48Å; C2226-M2230 PolarHBondContact SG-O 3.34Å; P2227-M2230 WeakPolarHBondContact O-CB 3.35Å; P2227-M2230 PolarHBondContact O-N 3.5Å; D2228-M2230 VanDerWaalsContact C-N 3.28Å; D2228-M2230 PolarHBondContact O-N 2.81Å; M2230-C2237 HydrophobicContact CB-CB 4.1Å; M2230-I2238 CarbonylContact C-O 3.54Å; M2230-I2238 WeakPolarHBondContact CA-O 3.11Å; M2230-I2238 WeakPolarHBondContact CB-O 3.38Å; M2230-R2239 HydrophobicContact CE-CB 4.16Å; M2230-R2239 HydrophobicContact CE-CG 4.04Å; M2230-R2239 HydrophobicContact CG-CB 4.28Å; M2230-R2239 HydrophobicContact CG-CG 4.32Å; M2230-R2239 HydrophobicContact SD-CB 4.08Å; M2230-R2239 HydrophobicContact SD-CG 4.45Å | ||
| 2231 | P | 59.4 | Low | 62.7 | Low | 14 Ų | 14 | 78.3 Ų | 78.3 | 9% | 0.091 | 42% | 0.421 | C | S | . | . | trans | -63.6 | 143.3 | 175 | 24.4 | -34.7 | 0 | 0 | 0 | 113.4 | I2238 M2358 | P2231-I2238 WeakPolarHBondContact CD-O 3.19Å; P2231-I2238 HydrophobicContact CG-CG1 4.41Å; P2231-I2238 WeakPolarHBondContact O-CG1 3.44Å; P2231-I2238 PolarHBondContact O-N 2.6Å; P2231-I2238 VanDerWaalsContact O-N 3.08Å; P2231-M2358 HydrophobicContact CB-CB 4.36Å; P2231-M2358 HydrophobicContact CB-CE 4.11Å; P2231-M2358 HydrophobicContact CG-CE 3.8Å | ||
| 2232 | P | 65 | Low | 61.8 | Low | 32 Ų | 32 | 75.9 Ų | 75.9 | 21% | 0.208 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 135.2 | 171.7 | 29.2 | -34.1 | 0 | 0 | 0 | 110.9 | P2203 I2236 P2357 | P2203-P2232 HydrophobicContact CB-CB 3.75Å; P2232-I2236 CarbonylContact C-O 3.36Å; P2232-P2357 HydrophobicContact CG-CB 3.73Å |
| 2233 | T | 54.4 | Low | 61.1 | Low | 50 Ų | 50 | 72 Ų | 72 | 31% | 0.307 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 123.3 | 175.5 | -65.9 | 0 | 0 | 0 | 0 | 108.8 | G2235 I2236 I2238 | T2233-G2235 PolarHBondContact O-N 3.33Å; T2233-I2236 PolarHBondContact N-O 2.74Å; T2233-I2236 PolarHBondContact O-N 2.8Å; T2233-I2236 VanDerWaalsContact O-O 3.1Å; T2233-I2238 HydrophobicContact CG2-CD1 4.18Å; T2233-I2238 WeakPolarHBondContact OG1-CD1 3.28Å |
| 2234 | N | 48.7 | Very low | 60.8 | Low | 165 Ų | 165 | 73 Ų | 73 | 88% | 0.882 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 43.1 | -176.7 | -66.6 | 5.1 | 0 | 0 | 0 | 114 | I2236 | N2234-I2236 VanDerWaalsContact C-N 3.33Å; N2234-I2236 PolarHBondContact O-N 3.06Å |
| 2235 | G | 58.9 | Low | 61 | Low | 19 Ų | 19 | 73.2 Ų | 73.2 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 15.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | P2203 G2215 T2233 | P2203-G2235 WeakPolarHBondContact CD-O 3.42Å; P2203-G2235 WeakPolarHBondContact CG-O 3.21Å; G2215-G2235 VanDerWaalsContact CA-O 3.27Å; G2215-G2235 WeakPolarHBondContact CA-O 3.07Å; T2233-G2235 PolarHBondContact O-N 3.33Å |
| 2236 | I | 64.3 | Low | 61.2 | Low | 97 Ų | 97 | 76.1 Ų | 76.1 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 133.3 | 176.9 | -54.9 | 178.2 | 0 | 0 | 0 | 110 | P2232 T2233 N2234 I2238 | P2232-I2236 CarbonylContact C-O 3.36Å; T2233-I2236 PolarHBondContact N-O 2.74Å; T2233-I2236 PolarHBondContact O-N 2.8Å; T2233-I2236 VanDerWaalsContact O-O 3.1Å; N2234-I2236 VanDerWaalsContact C-N 3.33Å; N2234-I2236 PolarHBondContact O-N 3.06Å; I2236-I2238 HydrophobicContact CG2-CG2 4.4Å; I2236-I2238 PolarHBondContact O-N 3.2Å; I2236-I2238 VanDerWaalsContact O-N 3.15Å |
| 2237 | C | 64.8 | Low | 61.6 | Low | 13 Ų | 13 | 78.6 Ų | 78.6 | 9% | 0.088 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 96.6 | 170.6 | -58.5 | 0 | 0 | 0 | 0 | 109.2 | G2215 G2216 S2217 C2226 M2230 | G2215-C2237 WeakPolarHBondContact O-CB 3.4Å; G2215-C2237 PolarHBondContact O-N 3.02Å; G2216-C2237 VanDerWaalsContact C-SG 3.59Å; S2217-C2237 PolarHBondContact N-SG 3.34Å; S2217-C2237 VanDerWaalsContact N-SG 3.41Å; C2226-C2237 WeakPolarHBondContact CA-SG 3.44Å; C2226-C2237 HydrophobicContact CB-CB 3.66Å; C2226-C2237 WeakPolarHBondContact CB-SG 3.43Å; C2226-C2237 WeakPolarHBondContact SG-CA 3.46Å; C2226-C2237 WeakPolarHBondContact SG-CB 3.5Å; C2226-C2237 CovalentContact SG-SG 2.03Å; C2226-C2237 PolarHBondContact SG-SG 3.45Å; M2230-C2237 HydrophobicContact CB-CB 4.1Å |
| 2238 | I | 60.2 | Low | 62.4 | Low | 73 Ų | 73 | 76.4 Ų | 76.4 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -86 | 134.3 | 175.7 | 57.5 | 170 | 0 | 0 | 0 | 109.1 | M2230 P2231 T2233 I2236 G2240 | M2230-I2238 CarbonylContact C-O 3.54Å; M2230-I2238 WeakPolarHBondContact CA-O 3.11Å; M2230-I2238 WeakPolarHBondContact CB-O 3.38Å; P2231-I2238 WeakPolarHBondContact CD-O 3.19Å; P2231-I2238 HydrophobicContact CG-CG1 4.41Å; P2231-I2238 WeakPolarHBondContact O-CG1 3.44Å; P2231-I2238 PolarHBondContact O-N 2.6Å; P2231-I2238 VanDerWaalsContact O-N 3.08Å; T2233-I2238 HydrophobicContact CG2-CD1 4.18Å; T2233-I2238 WeakPolarHBondContact OG1-CD1 3.28Å; I2236-I2238 HydrophobicContact CG2-CG2 4.4Å; I2236-I2238 PolarHBondContact O-N 3.2Å; I2236-I2238 VanDerWaalsContact O-N 3.15Å; I2238-G2240 PolarHBondContact O-N 3.37Å |
| 2239 | R | 49.7 | Very low | 63.7 | Low | 197 Ų | 197 | 68.7 Ų | 68.7 | 74% | 0.743 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -62 | 129.1 | 172.2 | -160.3 | 176.8 | -155.3 | 170.8 | 5.9 | 108.9 | M2230 M2241 | M2230-R2239 HydrophobicContact CE-CB 4.16Å; M2230-R2239 HydrophobicContact CE-CG 4.04Å; M2230-R2239 HydrophobicContact CG-CB 4.28Å; M2230-R2239 HydrophobicContact CG-CG 4.32Å; M2230-R2239 HydrophobicContact SD-CB 4.08Å; M2230-R2239 HydrophobicContact SD-CG 4.45Å; R2239-M2241 PolarHBondContact O-N 3.35Å |
| 2240 | G | 47 | Very low | 64.6 | Low | 20 Ų | 20 | 69.5 Ų | 69.5 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 134.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | G2229 I2238 G2242 | G2229-G2240 PolarHBondContact O-N 2.87Å; I2238-G2240 PolarHBondContact O-N 3.37Å; G2240-G2242 PolarHBondContact O-N 2.77Å |
| 2241 | M | 45.2 | Very low | 64.4 | Low | 198 Ų | 198 | 70.7 Ų | 70.7 | 98% | 0.975 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -75.3 | -2 | -179.8 | -80.2 | -171.9 | 157.9 | 0 | 0 | 113.4 | R2239 T2243 | R2239-M2241 PolarHBondContact O-N 3.35Å; M2241-T2243 PolarHBondContact O-N 2.91Å |
| 2242 | G | 50.3 | Low | 64.3 | Low | 23 Ų | 23 | 75.6 Ų | 75.6 | 24% | 0.237 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 124.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G2240 | G2240-G2242 PolarHBondContact O-N 2.77Š|
| 2243 | T | 59.3 | Low | 63.9 | Low | 102 Ų | 102 | 77.4 Ų | 77.4 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 145.5 | 158.6 | 44.1 | 0 | 0 | 0 | 0 | 108.8 | M2241 A2245 Q2445 S2446 | M2241-T2243 PolarHBondContact O-N 2.91Å; T2243-A2245 PolarHBondContact O-N 3.01Å; T2243-Q2445 CarbonylContact O-C 3.58Å; T2243-Q2445 VanDerWaalsContact O-CA 3.31Å; T2243-Q2445 WeakPolarHBondContact O-CA 3.04Å; T2243-S2446 PolarHBondContact O-N 2.89Å |
| 2244 | L | 72.6 | Confident | 63.9 | Low | 120 Ų | 120 | 76 Ų | 76 | 63% | 0.628 | 41% | 0.412 | S | S | * | . | B | Isolated β-bridge | trans | -52.8 | 129.5 | 167.6 | -171 | 78.6 | 0 | 0 | 0 | 108.1 | D2444 | L2244-D2444 HydrophobicContact CD1-CB 4.1Å; L2244-D2444 WeakPolarHBondContact CD1-O 3.42Å |
| 2245 | A | 85.1 | Confident | 64.3 | Low | 4 Ų | 4 | 72.9 Ų | 72.9 | 3% | 0.033 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 136.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T2243 Q2432 D2444 | T2243-A2245 PolarHBondContact O-N 3.01Å; A2245-Q2432 HydrophobicContact CB-CG 3.84Å; A2245-Q2432 WeakPolarHBondContact O-CG 3.41Å; A2245-Q2432 PolarHBondContact O-NE2 3.48Å; A2245-D2444 PolarHBondContact N-O 3.45Å |
| 2246 | E | 83.7 | Confident | 64.5 | Low | 139 Ų | 139 | 75.3 Ų | 75.3 | 65% | 0.65 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 157.7 | 172.1 | -62.2 | -161.9 | 164.5 | 0 | 0 | 110.5 | Y2431 Q2432 | E2246-Y2431 HydrophobicContact CB-CD1 4.32Å; E2246-Y2431 WeakPolarHBondContact O-CA 3.24Å; E2246-Y2431 WeakPolarHBondContact O-CB 3.45Å; E2246-Y2431 WeakPolarHBondContact O-CD1 3.44Å; E2246-Q2432 WeakPolarHBondContact O-CG 3.31Å; E2246-Q2432 PolarHBondContact O-N 3.33Å |
| 2247 | P | 83.2 | Confident | 65.1 | Low | 76 Ų | 76 | 75.5 Ų | 75.5 | 49% | 0.494 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 145.4 | 171 | -18 | 30.7 | 0 | 0 | 0 | 110.7 | ||
| 2248 | C | 86 | Confident | 66.1 | Low | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.034 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -46.9 | 140.8 | 179.7 | -72.1 | 0 | 0 | 0 | 0 | 113 | C2265 R2267 | C2248-C2265 HydrophobicContact CB-CB 4.38Å; C2248-C2265 WeakPolarHBondContact CB-SG 3.49Å; C2248-C2265 WeakPolarHBondContact SG-CB 3.44Å; C2248-C2265 CovalentContact SG-SG 2.04Å; C2248-C2265 PolarHBondContact SG-SG 2.75Å; C2248-R2267 HydrophobicContact CB-CG 4.01Å; C2248-R2267 PolarHBondContact O-NE 2.8Å; C2248-R2267 PolarHBondContact O-NH2 3.15Å; C2248-R2267 VanDerWaalsContact O-NH2 3.13Å |
| 2249 | P | 82.7 | Confident | 67.3 | Low | 7 Ų | 7 | 79.4 Ų | 79.4 | 5% | 0.045 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -57 | 147.9 | 174.7 | -24.1 | 35.5 | 0 | 0 | 0 | 111.1 | N2253 E2257 Y2431 | P2249-N2253 HydrophobicContact CB-CB 3.85Å; P2249-E2257 HydrophobicContact CG-CB 4.02Å; P2249-E2257 WeakPolarHBondContact CG-OE2 3.1Å; P2249-Y2431 HydrophobicContact CG-CD1 4.43Å; P2249-Y2431 HydrophobicContact CG-CE1 3.71Å; P2249-Y2431 HydrophobicContact CG-CE2 4.11Å; P2249-Y2431 WeakPolarHBondContact CG-OH 3Å |
| 2250 | S | 69.4 | Low | 69.2 | Low | 46 Ų | 46 | 72.4 Ų | 72.4 | 32% | 0.322 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 161.9 | 172.1 | 48.2 | 0 | 0 | 0 | 0 | 111 | V2252 N2253 Q2254 | S2250-V2252 PolarHBondContact O-N 3.41Å; S2250-N2253 CarbonylContact O-C 3.56Å; S2250-N2253 PolarHBondContact O-N 3.19Å; S2250-Q2254 PolarHBondContact O-N 3.01Å |
| 2251 | D | 62.5 | Low | 71.2 | Confident | 85 Ų | 85 | 74.5 Ų | 74.5 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -48.3 | -26.8 | -174.8 | -73.9 | -81.3 | 0 | 0 | 0 | 116.8 | I2255 R2275 | D2251-I2255 WeakPolarHBondContact O-CD1 3.39Å; D2251-I2255 WeakPolarHBondContact O-CG1 3.38Å; D2251-R2275 PolarHBondContact O-NH2 3.23Å; D2251-R2275 IonicContact OD1-CZ 3.44Å; D2251-R2275 IonicContact OD1-NE 3.65Å; D2251-R2275 IonicContact OD1-NH2 2.71Å; D2251-R2275 PolarHBondContact OD1-NH2 3.11Å |
| 2252 | V | 56.7 | Low | 73.2 | Confident | 117 Ų | 117 | 70.6 Ų | 70.6 | 71% | 0.709 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -80 | -38.7 | 178.2 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | S2250 | S2250-V2252 PolarHBondContact O-N 3.41Å |
| 2253 | N | 56.8 | Low | 75.2 | Confident | 70 Ų | 70 | 70 Ų | 70 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -90.1 | -25.4 | -179.4 | -78.3 | 56 | 0 | 0 | 0 | 113.1 | P2249 S2250 I2255 A2256 E2257 | P2249-N2253 HydrophobicContact CB-CB 3.85Å; S2250-N2253 CarbonylContact O-C 3.56Å; S2250-N2253 PolarHBondContact O-N 3.19Å; N2253-I2255 PolarHBondContact O-N 3.48Å; N2253-A2256 WeakPolarHBondContact O-CA 3.48Å; N2253-A2256 PolarHBondContact O-N 3.12Å; N2253-E2257 WeakPolarHBondContact CB-OE1 3.48Å; N2253-E2257 PolarHBondContact ND2-OE1 2.78Å; N2253-E2257 PolarHBondContact O-N 2.94Å |
| 2254 | Q | 55.9 | Low | 76.8 | Confident | 20 Ų | 20 | 66 Ų | 66 | 9% | 0.093 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -47.8 | -44.1 | 167.4 | -105.5 | 176.5 | -6.9 | 0 | 0 | 110.4 | S2250 A2256 E2257 C2258 C2265 E2271 | S2250-Q2254 PolarHBondContact O-N 3.01Å; Q2254-A2256 PolarHBondContact O-N 3.39Å; Q2254-E2257 PolarHBondContact O-N 3.3Å; Q2254-C2258 CarbonylContact O-C 3.5Å; Q2254-C2258 PolarHBondContact O-N 2.77Å; Q2254-C2265 PolarHBondContact NE2-O 3.22Å; Q2254-E2271 PolarHBondContact NE2-OE2 2.97Å |
| 2255 | I | 57.1 | Low | 77.7 | Confident | 100 Ų | 100 | 60.4 Ų | 60.4 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.4 | -12.4 | 179.9 | -59.2 | 169.2 | 0 | 0 | 0 | 112.3 | D2251 N2253 R2259 | D2251-I2255 WeakPolarHBondContact O-CD1 3.39Å; D2251-I2255 WeakPolarHBondContact O-CG1 3.38Å; N2253-I2255 PolarHBondContact O-N 3.48Å; I2255-R2259 PolarHBondContact O-NE 3.25Å; I2255-R2259 PolarHBondContact O-NH2 2.82Å |
| 2256 | A | 61.9 | Low | 77.9 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 58% | 0.579 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -109.5 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N2253 Q2254 | N2253-A2256 WeakPolarHBondContact O-CA 3.48Å; N2253-A2256 PolarHBondContact O-N 3.12Å; Q2254-A2256 PolarHBondContact O-N 3.39Å |
| 2257 | E | 76.9 | Confident | 78 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 47% | 0.467 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -102.3 | -36.6 | -162.4 | -65.2 | 166.2 | -146.3 | 0 | 0 | 114.5 | P2249 N2253 Q2254 | P2249-E2257 HydrophobicContact CG-CB 4.02Å; P2249-E2257 WeakPolarHBondContact CG-OE2 3.1Å; N2253-E2257 WeakPolarHBondContact CB-OE1 3.48Å; N2253-E2257 PolarHBondContact ND2-OE1 2.78Å; N2253-E2257 PolarHBondContact O-N 2.94Å; Q2254-E2257 PolarHBondContact O-N 3.3Å |
| 2258 | C | 86.8 | Confident | 78.1 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -129.5 | 102 | -177.9 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | Q2254 C2263 Y2264 Y2431 | Q2254-C2258 CarbonylContact O-C 3.5Å; Q2254-C2258 PolarHBondContact O-N 2.77Å; C2258-C2263 HydrophobicContact CB-CB 4.05Å; C2258-C2263 WeakPolarHBondContact CB-SG 3.18Å; C2258-C2263 WeakPolarHBondContact SG-CB 3.16Å; C2258-C2263 CovalentContact SG-SG 2.05Å; C2258-C2263 PolarHBondContact SG-SG 2.85Å; C2258-Y2264 PolarHBondContact SG-N 3.34Å; C2258-Y2264 VanDerWaalsContact SG-N 3.43Å; C2258-Y2431 HydrophobicContact CB-CD2 4.47Å; C2258-Y2431 HydrophobicContact CB-CE2 3.84Å |
| 2259 | R | 84.2 | Confident | 78.4 | Confident | 158 Ų | 158 | 59.4 Ų | 59.4 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | trans | -124.2 | 142 | -174.8 | -64.8 | 179.3 | 177.1 | 171.9 | 0.3 | 112.4 | I2255 D2262 C2263 | I2255-R2259 PolarHBondContact O-NE 3.25Å; I2255-R2259 PolarHBondContact O-NH2 2.82Å; R2259-D2262 PolarHBondContact O-N 2.86Å; R2259-C2263 CarbonylContact C-O 3.57Å; R2259-C2263 PolarHBondContact O-N 3.22Å; R2259-C2263 VanDerWaalsContact O-O 3.06Å | ||
| 2260 | L | 89.3 | Confident | 78.9 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 145.1 | 164 | -66.5 | 171.3 | 0 | 0 | 0 | 110.3 | C2263 Y2264 P2273 W2451 I2553 P2556 | L2260-C2263 PolarHBondContact N-O 3.49Å; L2260-C2263 VanDerWaalsContact N-O 3.15Å; L2260-Y2264 HydrophobicContact CD1-CD2 4.47Å; L2260-Y2264 HydrophobicContact CD2-CD2 4.32Å; L2260-Y2264 HydrophobicContact CD2-CG 4.23Å; L2260-Y2264 HydrophobicContact CG-CD2 4.38Å; L2260-P2273 HydrophobicContact CD1-CB 4.36Å; L2260-W2451 HydrophobicContact CD2-CH2 4.15Å; L2260-I2553 WeakPolarHBondContact CD1-O 3.46Å; L2260-I2553 WeakPolarHBondContact CD2-O 3.43Å; L2260-P2556 HydrophobicContact CD1-CG 3.63Å |
| 2261 | P | 89.6 | Confident | 79.9 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -83.7 | -11.6 | 8.6 | 34.4 | -36.8 | 0 | 0 | 0 | 115.1 | R2554 | P2261-R2554 WeakPolarHBondContact CA-O 3.05Å; P2261-R2554 HydrophobicContact CB-CB 3.91Å; P2261-R2554 HydrophobicContact CB-CG 4.41Å; P2261-R2554 WeakPolarHBondContact O-CG 3.33Å |
| 2262 | D | 87.6 | Confident | 81.4 | Confident | 116 Ų | 116 | 59.8 Ų | 59.8 | 62% | 0.62 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -35.3 | -163.2 | -57.6 | -58 | 0 | 0 | 0 | 114.1 | R2259 | R2259-D2262 PolarHBondContact O-N 2.86Š|
| 2263 | C | 92 | Very high | 83.1 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | trans | -126.3 | 139.6 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | C2258 R2259 L2260 T2428 | C2258-C2263 HydrophobicContact CB-CB 4.05Å; C2258-C2263 WeakPolarHBondContact CB-SG 3.18Å; C2258-C2263 WeakPolarHBondContact SG-CB 3.16Å; C2258-C2263 CovalentContact SG-SG 2.05Å; C2258-C2263 PolarHBondContact SG-SG 2.85Å; R2259-C2263 CarbonylContact C-O 3.57Å; R2259-C2263 PolarHBondContact O-N 3.22Å; R2259-C2263 VanDerWaalsContact O-O 3.06Å; L2260-C2263 PolarHBondContact N-O 3.49Å; L2260-C2263 VanDerWaalsContact N-O 3.15Å; C2263-T2428 WeakPolarHBondContact CA-OG1 3.34Å | ||
| 2264 | Y | 93.2 | Very high | 84.6 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 8% | 0.078 | 28% | 0.279 | C | S | . | . | trans | -150.1 | 121.7 | 167.2 | 177.8 | -104.9 | 0 | 0 | 0 | 111 | C2258 L2260 E2271 P2273 W2425 P2426 Q2427 T2428 I2553 | C2258-Y2264 PolarHBondContact SG-N 3.34Å; C2258-Y2264 VanDerWaalsContact SG-N 3.43Å; L2260-Y2264 HydrophobicContact CD1-CD2 4.47Å; L2260-Y2264 HydrophobicContact CD2-CD2 4.32Å; L2260-Y2264 HydrophobicContact CD2-CG 4.23Å; L2260-Y2264 HydrophobicContact CG-CD2 4.38Å; Y2264-E2271 PolarHBondContact OH-O 2.8Å; Y2264-P2273 HydrophobicContact CE1-CG 3.95Å; Y2264-P2273 HydrophobicContact CE2-CB 4.38Å; Y2264-P2273 HydrophobicContact CE2-CG 4.34Å; Y2264-W2425 HydrophobicContact CE1-CB 4.29Å; Y2264-P2426 VanDerWaalsContact CD1-O 3.27Å; Y2264-P2426 WeakPolarHBondContact CD1-O 3.18Å; Y2264-Q2427 CarbonylContact O-C 3.49Å; Y2264-Q2427 WeakPolarHBondContact O-CA 3.1Å; Y2264-Q2427 VanDerWaalsContact O-CB 3.27Å; Y2264-Q2427 WeakPolarHBondContact O-CB 3.33Å; Y2264-T2428 PolarHBondContact N-OG1 2.86Å; Y2264-T2428 VanDerWaalsContact N-OG1 3.11Å; Y2264-T2428 PolarHBondContact O-N 2.96Å; Y2264-I2553 HydrophobicContact CD1-CG2 4.38Å | ||
| 2265 | C | 91.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | trans | -153.4 | 158.8 | 165.1 | 84.9 | 0 | 0 | 0 | 0 | 110.5 | C2248 Q2254 Q2427 | C2248-C2265 HydrophobicContact CB-CB 4.38Å; C2248-C2265 WeakPolarHBondContact CB-SG 3.49Å; C2248-C2265 WeakPolarHBondContact SG-CB 3.44Å; C2248-C2265 CovalentContact SG-SG 2.04Å; C2248-C2265 PolarHBondContact SG-SG 2.75Å; Q2254-C2265 PolarHBondContact NE2-O 3.22Å; C2265-Q2427 HydrophobicContact CB-CB 4.04Å | ||
| 2266 | S | 88.8 | Confident | 87.7 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | trans | -135.1 | 148.5 | -179.9 | 46 | 0 | 0 | 0 | 0 | 110.6 | S2268 G2269 E2271 A2434 | S2266-S2268 PolarHBondContact O-N 3.34Å; S2266-G2269 PolarHBondContact O-N 3.45Å; S2266-G2269 WeakPolarHBondContact OG-CA 3.38Å; S2266-G2269 PolarHBondContact OG-N 3.2Å; S2266-G2269 VanDerWaalsContact OG-N 3.16Å; S2266-E2271 WeakPolarHBondContact CB-OE1 3.41Å; S2266-E2271 WeakPolarHBondContact CB-OE2 3.43Å; S2266-A2434 WeakPolarHBondContact O-CB 3.05Å | ||
| 2267 | R | 85.3 | Confident | 88.9 | Confident | 161 Ų | 161 | 54.4 Ų | 54.4 | 61% | 0.608 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -67.8 | -25.2 | 178.7 | -72.6 | -172.9 | 174.1 | -158.1 | -7.5 | 113.1 | C2248 | C2248-R2267 HydrophobicContact CB-CG 4.01Å; C2248-R2267 PolarHBondContact O-NE 2.8Å; C2248-R2267 PolarHBondContact O-NH2 3.15Å; C2248-R2267 VanDerWaalsContact O-NH2 3.13Å |
| 2268 | S | 87 | Confident | 89.6 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -87.5 | -27.1 | 173.9 | 65 | 0 | 0 | 0 | 0 | 113.2 | S2266 F2270 E2271 | S2266-S2268 PolarHBondContact O-N 3.34Å; S2268-F2270 VanDerWaalsContact O-CD2 3.25Å; S2268-F2270 WeakPolarHBondContact O-CD2 3.01Å; S2268-F2270 WeakPolarHBondContact O-CE2 3.28Å; S2268-F2270 WeakPolarHBondContact O-CG 3.41Å; S2268-F2270 PolarHBondContact O-N 2.04Å; S2268-F2270 VanDerWaalsContact O-N 3.15Å; S2268-F2270 PolarHBondContact OG-N 3.47Å; S2268-E2271 WeakPolarHBondContact CB-OE1 3.48Å; S2268-E2271 PolarHBondContact N-OE1 3.49Å; S2268-E2271 PolarHBondContact OG-N 2.77Å; S2268-E2271 PolarHBondContact OG-OE1 3.19Å |
| 2269 | G | 91.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 67.7 | -3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S2266 Y2424 W2425 A2434 | S2266-G2269 PolarHBondContact O-N 3.45Å; S2266-G2269 WeakPolarHBondContact OG-CA 3.38Å; S2266-G2269 PolarHBondContact OG-N 3.2Å; S2266-G2269 VanDerWaalsContact OG-N 3.16Å; G2269-Y2424 WeakPolarHBondContact O-CA 3.03Å; G2269-W2425 PolarHBondContact O-N 3.16Å; G2269-A2434 VanDerWaalsContact CA-CB 3.46Å |
| 2270 | F | 93.5 | Very high | 90.1 | Very high | 70 Ų | 70 | 52 Ų | 52 | 31% | 0.307 | 27% | 0.269 | S | S | . | . | trans | -107.6 | -14 | -174.1 | -51.9 | -46.2 | 0 | 0 | 0 | 113.5 | S2268 A2422 Y2424 N2503 | S2268-F2270 VanDerWaalsContact O-CD2 3.25Å; S2268-F2270 WeakPolarHBondContact O-CD2 3.01Å; S2268-F2270 WeakPolarHBondContact O-CE2 3.28Å; S2268-F2270 WeakPolarHBondContact O-CG 3.41Å; S2268-F2270 PolarHBondContact O-N 2.04Å; S2268-F2270 VanDerWaalsContact O-N 3.15Å; S2268-F2270 PolarHBondContact OG-N 3.47Å; F2270-A2422 HydrophobicContact CB-CB 4.25Å; F2270-A2422 HydrophobicContact CD1-CB 4.02Å; F2270-A2422 WeakPolarHBondContact CD1-O 3.02Å; F2270-A2422 HydrophobicContact CD2-CB 4.44Å; F2270-A2422 WeakPolarHBondContact CE1-O 3.48Å; F2270-A2422 HydrophobicContact CG-CB 3.99Å; F2270-Y2424 AromaticContact CD1-CD1 3.96Å; F2270-Y2424 HydrophobicContact CD1-CD1 3.96Å; F2270-Y2424 HydrophobicContact CD1-CE1 4.13Å; F2270-Y2424 HydrophobicContact CD1-CG 4.41Å; F2270-Y2424 AromaticContact CE1-CD1 3.47Å; F2270-Y2424 HydrophobicContact CE1-CD1 3.47Å; F2270-Y2424 VanDerWaalsContact CE1-CD1 3.47Å; F2270-Y2424 HydrophobicContact CE1-CD2 4.1Å; F2270-Y2424 AromaticContact CE1-CE1 3.29Å; F2270-Y2424 HydrophobicContact CE1-CE1 3.29Å; F2270-Y2424 AromaticContact CE1-CE2 3.95Å; F2270-Y2424 HydrophobicContact CE1-CE2 3.95Å; F2270-Y2424 AromaticContact CE1-CG 3.88Å; F2270-Y2424 HydrophobicContact CE1-CG 3.88Å; F2270-Y2424 AromaticContact CE1-CZ 3.55Å; F2270-Y2424 HydrophobicContact CZ-CD1 4.19Å; F2270-Y2424 AromaticContact CZ-CE1 3.53Å; F2270-Y2424 HydrophobicContact CZ-CE1 3.53Å; F2270-Y2424 HydrophobicContact CZ-CE2 4.32Å; F2270-Y2424 AromaticContact CZ-CZ 3.6Å; F2270-N2503 PolarHBondContact O-ND2 3.26Å | ||
| 2271 | E | 90.5 | Very high | 90.4 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -57.9 | 149.4 | 173.4 | -73.4 | 141.1 | -117.7 | 0 | 0 | 111.5 | Q2254 Y2264 S2266 S2268 W2425 | Q2254-E2271 PolarHBondContact NE2-OE2 2.97Å; Y2264-E2271 PolarHBondContact OH-O 2.8Å; S2266-E2271 WeakPolarHBondContact CB-OE1 3.41Å; S2266-E2271 WeakPolarHBondContact CB-OE2 3.43Å; S2268-E2271 WeakPolarHBondContact CB-OE1 3.48Å; S2268-E2271 PolarHBondContact N-OE1 3.49Å; S2268-E2271 PolarHBondContact OG-N 2.77Å; S2268-E2271 PolarHBondContact OG-OE1 3.19Å; E2271-W2425 PolarHBondContact O-NE1 2.8Å |
| 2272 | I | 94 | Very high | 90.7 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -92 | 131.6 | -177.6 | -68.7 | 173.1 | 0 | 0 | 0 | 109.7 | G2274 R2275 L2276 V2278 V2281 W2425 N2503 | I2272-G2274 PolarHBondContact O-N 3.33Å; I2272-R2275 WeakPolarHBondContact O-CA 3.34Å; I2272-R2275 PolarHBondContact O-N 3.27Å; I2272-L2276 HydrophobicContact CG2-CB 4.23Å; I2272-V2278 HydrophobicContact CD1-CG2 3.91Å; I2272-V2281 HydrophobicContact CD1-CG2 4.39Å; I2272-V2281 HydrophobicContact CG2-CG2 3.69Å; I2272-W2425 HydrophobicContact CG1-CZ2 4.12Å; I2272-W2425 HydrophobicContact CG2-CZ2 4.31Å; I2272-N2503 HydrophobicContact CD1-CB 4.49Å; I2272-N2503 HydrophobicContact CG1-CB 4.39Å |
| 2273 | P | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -50.5 | 131.4 | 173.8 | -29.2 | 35.7 | 0 | 0 | 0 | 112.7 | L2260 Y2264 R2275 W2425 W2552 I2553 P2556 | L2260-P2273 HydrophobicContact CD1-CB 4.36Å; Y2264-P2273 HydrophobicContact CE1-CG 3.95Å; Y2264-P2273 HydrophobicContact CE2-CB 4.38Å; Y2264-P2273 HydrophobicContact CE2-CG 4.34Å; P2273-R2275 PolarHBondContact O-N 2.86Å; P2273-W2425 VanDerWaalsContact CD-CD2 3.45Å; P2273-W2425 VanDerWaalsContact CD-CE3 3.44Å; P2273-W2425 HydrophobicContact CG-CD2 3.99Å; P2273-W2425 HydrophobicContact CG-CE3 3.51Å; P2273-W2425 HydrophobicContact CG-CH2 4.41Å; P2273-W2425 HydrophobicContact CG-CZ3 3.76Å; P2273-W2552 HydrophobicContact CB-CZ3 4.3Å; P2273-W2552 HydrophobicContact CG-CZ3 4.39Å; P2273-I2553 HydrophobicContact CB-CG2 4.13Å; P2273-I2553 HydrophobicContact CG-CG1 4.38Å; P2273-I2553 HydrophobicContact CG-CG2 3.81Å; P2273-P2556 HydrophobicContact CB-CB 4.36Å; P2273-P2556 HydrophobicContact CB-CG 3.68Å; P2273-P2556 WeakPolarHBondContact O-CB 3.37Å |
| 2274 | G | 88 | Confident | 91.5 | Very high | 49 Ų | 49 | 40.7 Ų | 40.7 | 51% | 0.505 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | 70.4 | 5.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | I2272 L2276 | I2272-G2274 PolarHBondContact O-N 3.33Å; G2274-L2276 PolarHBondContact O-N 2.89Å |
| 2275 | R | 86.5 | Confident | 91.7 | Very high | 136 Ų | 136 | 39.8 Ų | 39.8 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | 52.2 | 37.8 | -176.7 | -60.1 | -175.7 | -178.8 | 142.9 | 1.5 | 113.3 | D2251 I2272 P2273 | D2251-R2275 PolarHBondContact O-NH2 3.23Å; D2251-R2275 IonicContact OD1-CZ 3.44Å; D2251-R2275 IonicContact OD1-NE 3.65Å; D2251-R2275 IonicContact OD1-NH2 2.71Å; D2251-R2275 PolarHBondContact OD1-NH2 3.11Å; I2272-R2275 WeakPolarHBondContact O-CA 3.34Å; I2272-R2275 PolarHBondContact O-N 3.27Å; P2273-R2275 PolarHBondContact O-N 2.86Å |
| 2276 | L | 91.3 | Very high | 92 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 11% | 0.105 | 20% | 0.2 | C | C | . | . | trans | -68.2 | 145.3 | 174.8 | -61.7 | -179.2 | 0 | 0 | 0 | 111.3 | I2272 G2274 V2281 W2552 P2556 R2558 | I2272-L2276 HydrophobicContact CG2-CB 4.23Å; G2274-L2276 PolarHBondContact O-N 2.89Å; L2276-V2281 HydrophobicContact CB-CG2 3.78Å; L2276-V2281 HydrophobicContact CD1-CG2 4.47Å; L2276-W2552 HydrophobicContact CD1-CH2 4.2Å; L2276-W2552 HydrophobicContact CD1-CZ2 3.93Å; L2276-P2556 HydrophobicContact CD1-CB 3.99Å; L2276-R2558 HydrophobicContact CD1-CG 4.42Å; L2276-R2558 HydrophobicContact CD2-CG 4.02Å | ||
| 2277 | P | 87 | Confident | 92.4 | Very high | 59 Ų | 59 | 39.6 Ų | 39.6 | 38% | 0.383 | 20% | 0.2 | S | C | . | . | trans | -68.5 | 148.4 | 172.2 | 29.5 | -32.6 | 0 | 0 | 0 | 110.4 | E2279 D2280 | P2277-E2279 PolarHBondContact O-N 2.86Å; P2277-E2279 VanDerWaalsContact O-N 3.11Å; P2277-D2280 HydrophobicContact CG-CB 4.01Å; P2277-D2280 PolarHBondContact O-N 2.99Å | ||
| 2278 | V | 91 | Very high | 93 | Very high | 53 Ų | 53 | 32 Ų | 32 | 32% | 0.321 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -60.8 | -29.7 | -167.1 | -168.5 | 0 | 0 | 0 | 0 | 112.6 | I2272 V2281 K2504 | I2272-V2278 HydrophobicContact CD1-CG2 3.91Å; V2278-V2281 PolarHBondContact O-N 2.97Å; V2278-K2504 HydrophobicContact CG1-CD 4.43Å; V2278-K2504 HydrophobicContact CG1-CG 4.11Å; V2278-K2504 VanDerWaalsContact O-CE 3.3Å; V2278-K2504 WeakPolarHBondContact O-CE 3.19Å; V2278-K2504 PolarHBondContact O-NZ 3.08Å |
| 2279 | E | 89.1 | Confident | 93.5 | Very high | 149 Ų | 149 | 30.1 Ų | 30.1 | 70% | 0.696 | 16% | 0.158 | S | C | * | . | G | 310 helix | trans | -73 | -25.1 | 174.5 | 34.9 | -79.5 | 117.8 | 0 | 0 | 114.7 | P2277 V2281 | P2277-E2279 PolarHBondContact O-N 2.86Å; P2277-E2279 VanDerWaalsContact O-N 3.11Å; E2279-V2281 VanDerWaalsContact C-N 3.31Å |
| 2280 | D | 93.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 10% | 0.096 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -82.8 | -3.8 | 172.4 | -93.4 | -42.2 | 0 | 0 | 0 | 112.9 | P2277 R2558 L2559 R2560 | P2277-D2280 HydrophobicContact CG-CB 4.01Å; P2277-D2280 PolarHBondContact O-N 2.99Å; D2280-R2558 HydrophobicContact CB-CB 4.15Å; D2280-R2558 HydrophobicContact CB-CG 4.11Å; D2280-R2558 CarbonylContact O-C 3.59Å; D2280-R2558 WeakPolarHBondContact O-CA 3.38Å; D2280-R2558 IonicContact OD2-CZ 3.7Å; D2280-R2558 IonicContact OD2-NE 3.98Å; D2280-R2558 IonicContact OD2-NH1 2.7Å; D2280-R2558 PolarHBondContact OD2-NH1 2.77Å; D2280-L2559 WeakPolarHBondContact O-CB 3.29Å; D2280-L2559 PolarHBondContact O-N 3.08Å; D2280-R2560 VanDerWaalsContact CG-NH2 3.25Å; D2280-R2560 IonicContact OD1-CZ 3.3Å; D2280-R2560 VanDerWaalsContact OD1-CZ 3.3Å; D2280-R2560 IonicContact OD1-NE 2.85Å; D2280-R2560 PolarHBondContact OD1-NE 3.33Å; D2280-R2560 IonicContact OD1-NH2 2.91Å; D2280-R2560 PolarHBondContact OD1-NH2 2.92Å; D2280-R2560 IonicContact OD2-CZ 3.75Å; D2280-R2560 IonicContact OD2-NE 3.98Å; D2280-R2560 IonicContact OD2-NH2 2.77Å; D2280-R2560 PolarHBondContact OD2-NH2 2.72Å |
| 2281 | V | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -95.2 | 132.6 | -176.6 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | I2272 L2276 V2278 E2279 W2425 K2504 W2552 | I2272-V2281 HydrophobicContact CD1-CG2 4.39Å; I2272-V2281 HydrophobicContact CG2-CG2 3.69Å; L2276-V2281 HydrophobicContact CB-CG2 3.78Å; L2276-V2281 HydrophobicContact CD1-CG2 4.47Å; V2278-V2281 PolarHBondContact O-N 2.97Å; E2279-V2281 VanDerWaalsContact C-N 3.31Å; V2281-W2425 HydrophobicContact CG1-CH2 4.13Å; V2281-W2425 HydrophobicContact CG1-CZ2 4.32Å; V2281-K2504 HydrophobicContact CB-CD 4.22Å; V2281-K2504 HydrophobicContact CG1-CB 3.83Å; V2281-K2504 HydrophobicContact CG1-CD 4.23Å; V2281-K2504 WeakPolarHBondContact O-CD 3.26Å; V2281-K2504 PolarHBondContact O-NZ 3.3Å; V2281-W2552 HydrophobicContact CG1-CH2 4.12Å |
| 2282 | P | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -72.5 | 143.7 | 168.4 | 31.2 | -35 | 0 | 0 | 0 | 111.2 | I2284 D2540 W2552 L2562 W2568 | P2282-I2284 HydrophobicContact CG-CG1 4.24Å; P2282-I2284 PolarHBondContact O-N 3.07Å; P2282-I2284 VanDerWaalsContact O-N 3.16Å; P2282-D2540 CarbonylContact C-O 3.54Å; P2282-D2540 WeakPolarHBondContact CA-O 3.49Å; P2282-W2552 HydrophobicContact CG-CD2 4.48Å; P2282-W2552 HydrophobicContact CG-CZ2 4.1Å; P2282-L2562 HydrophobicContact CB-CD1 3.58Å; P2282-L2562 HydrophobicContact CG-CD1 3.66Å; P2282-W2568 HydrophobicContact CG-CH2 4.18Å; P2282-W2568 HydrophobicContact CG-CZ3 4.44Å | ||
| 2283 | Q | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 101.3 | 162.4 | 179.8 | 62.5 | 71.4 | 0 | 0 | 109.2 | V2285 F2496 H2499 Y2500 K2504 A2505 D2540 V2541 W2542 | Q2283-V2285 HydrophobicContact CG-CG2 4.41Å; Q2283-F2496 HydrophobicContact CG-CE2 3.68Å; Q2283-F2496 HydrophobicContact CG-CZ 4.03Å; Q2283-H2499 VanDerWaalsContact OE1-C 3.31Å; Q2283-Y2500 HydrophobicContact CB-CD2 3.71Å; Q2283-Y2500 HydrophobicContact CB-CE2 4.05Å; Q2283-Y2500 HydrophobicContact CG-CD2 3.91Å; Q2283-Y2500 VanDerWaalsContact OE1-CA 3.23Å; Q2283-Y2500 VanDerWaalsContact OE1-N 3.16Å; Q2283-K2504 HydrophobicContact CB-CD 4.47Å; Q2283-A2505 PolarHBondContact NE2-O 3.46Å; Q2283-D2540 PolarHBondContact N-O 3.42Å; Q2283-V2541 HydrophobicContact CB-CG2 4.23Å; Q2283-V2541 WeakPolarHBondContact O-CA 3.46Å; Q2283-W2542 PolarHBondContact O-N 2.03Å |
| 2284 | I | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 135.7 | 172.2 | -58.2 | 177.2 | 0 | 0 | 0 | 109.1 | P2282 M2286 P2506 F2507 W2542 T2544 W2552 W2568 | P2282-I2284 HydrophobicContact CG-CG1 4.24Å; P2282-I2284 PolarHBondContact O-N 3.07Å; P2282-I2284 VanDerWaalsContact O-N 3.16Å; I2284-M2286 HydrophobicContact CG2-CG 4.2Å; I2284-P2506 HydrophobicContact CB-CB 4.27Å; I2284-P2506 HydrophobicContact CB-CG 4.35Å; I2284-P2506 HydrophobicContact CG2-CB 4.24Å; I2284-P2506 WeakPolarHBondContact O-CA 3.2Å; I2284-F2507 PolarHBondContact O-N 3.02Å; I2284-W2542 CarbonylContact C-O 3.54Å; I2284-T2544 HydrophobicContact CG2-CG2 4.48Å; I2284-W2552 HydrophobicContact CD1-CB 4.09Å; I2284-W2552 HydrophobicContact CD1-CD2 3.94Å; I2284-W2552 HydrophobicContact CD1-CE3 3.81Å; I2284-W2552 HydrophobicContact CD1-CG 4.06Å; I2284-W2568 HydrophobicContact CD1-CH2 3.88Å; I2284-W2568 HydrophobicContact CD1-CZ2 3.92Å; I2284-W2568 HydrophobicContact CG1-CH2 3.82Å; I2284-W2568 HydrophobicContact CG1-CZ2 4.22Å |
| 2285 | V | 98.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 110.8 | 172.7 | 178 | 0 | 0 | 0 | 0 | 107.7 | Q2283 L2287 F2496 F2507 I2535 V2541 W2542 V2543 T2544 | Q2283-V2285 HydrophobicContact CG-CG2 4.41Å; V2285-L2287 PolarHBondContact O-N 3.42Å; V2285-F2496 HydrophobicContact CG2-CD2 4.13Å; V2285-F2496 HydrophobicContact CG2-CE2 3.82Å; V2285-F2507 CarbonylContact C-O 2.88Å; V2285-F2507 WeakPolarHBondContact CA-O 3.08Å; V2285-F2507 HydrophobicContact CG1-CD1 4.11Å; V2285-F2507 HydrophobicContact CG2-CB 4.3Å; V2285-F2507 HydrophobicContact CG2-CD1 4.43Å; V2285-I2535 HydrophobicContact CG1-CD1 4.31Å; V2285-I2535 HydrophobicContact CG2-CD1 3.98Å; V2285-V2541 HydrophobicContact CG2-CG1 4.09Å; V2285-W2542 PolarHBondContact N-O 3.26Å; V2285-V2543 HydrophobicContact CB-CG2 4.07Å; V2285-V2543 HydrophobicContact CG1-CG2 4.29Å; V2285-V2543 CarbonylContact O-C 3.54Å; V2285-V2543 VanDerWaalsContact O-CA 3.28Å; V2285-V2543 WeakPolarHBondContact O-CA 3.38Å; V2285-T2544 PolarHBondContact O-N 2.78Å |
| 2286 | M | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 105.2 | 178.2 | -67.2 | 167.1 | 171.8 | 0 | 0 | 108.2 | I2284 T2288 V2453 P2506 F2507 V2508 L2509 I2546 | I2284-M2286 HydrophobicContact CG2-CG 4.2Å; M2286-T2288 HydrophobicContact CB-CG2 4.44Å; M2286-T2288 PolarHBondContact O-N 2.93Å; M2286-V2453 HydrophobicContact SD-CG1 4.09Å; M2286-P2506 HydrophobicContact CE-CB 4.09Å; M2286-P2506 HydrophobicContact CE-CG 4.31Å; M2286-P2506 HydrophobicContact SD-CB 4.09Å; M2286-F2507 PolarHBondContact N-O 2.89Å; M2286-V2508 HydrophobicContact CB-CG1 4.39Å; M2286-V2508 HydrophobicContact CB-CG2 4.49Å; M2286-V2508 HydrophobicContact SD-CG2 3.89Å; M2286-L2509 PolarHBondContact O-N 3.4Å; M2286-I2546 HydrophobicContact CB-CG1 4.21Å; M2286-I2546 HydrophobicContact CE-CG2 4.41Å; M2286-I2546 HydrophobicContact CG-CG1 4.36Å; M2286-I2546 HydrophobicContact SD-CB 4.38Å; M2286-I2546 HydrophobicContact SD-CG1 4.03Å; M2286-I2546 HydrophobicContact SD-CG2 4.28Å |
| 2287 | L | 97 | Very high | 93.1 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 116.4 | 178.6 | 179.7 | 60.3 | 0 | 0 | 0 | 109.5 | V2285 F2289 L2305 I2317 S2319 T2320 L2509 L2511 V2543 T2544 | V2285-L2287 PolarHBondContact O-N 3.42Å; L2287-F2289 HydrophobicContact CD1-CE2 4.07Å; L2287-F2289 HydrophobicContact CD1-CZ 3.9Å; L2287-F2289 HydrophobicContact CD2-CE2 3.95Å; L2287-F2289 HydrophobicContact CD2-CZ 4.19Å; L2287-F2289 HydrophobicContact CG-CE2 3.75Å; L2287-F2289 HydrophobicContact CG-CZ 4.07Å; L2287-L2305 HydrophobicContact CD2-CD2 4.29Å; L2287-I2317 HydrophobicContact CD2-CD1 4.39Å; L2287-S2319 CarbonylContact O-C 3.59Å; L2287-S2319 VanDerWaalsContact O-CA 3.23Å; L2287-S2319 WeakPolarHBondContact O-CA 3.43Å; L2287-S2319 WeakPolarHBondContact O-CB 3.47Å; L2287-T2320 PolarHBondContact O-N 2.04Å; L2287-L2509 HydrophobicContact CD1-CD2 4.03Å; L2287-L2509 HydrophobicContact CD1-CG 4.36Å; L2287-L2511 HydrophobicContact CD1-CD1 3.9Å; L2287-V2543 HydrophobicContact CB-CG1 3.87Å; L2287-V2543 HydrophobicContact CD2-CG1 4.46Å; L2287-T2544 PolarHBondContact N-O 2.85Å |
| 2288 | T | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.2 | -174.5 | 76.5 | 0 | 0 | 0 | 0 | 111.9 | M2286 T2320 F2322 R2387 V2508 L2509 T2510 L2511 I2546 | M2286-T2288 HydrophobicContact CB-CG2 4.44Å; M2286-T2288 PolarHBondContact O-N 2.93Å; T2288-T2320 CarbonylContact C-O 3.53Å; T2288-T2320 VanDerWaalsContact CA-O 3.29Å; T2288-T2320 WeakPolarHBondContact CA-O 3.25Å; T2288-F2322 HydrophobicContact CG2-CE2 4.29Å; T2288-R2387 PolarHBondContact OG1-NH2 2.73Å; T2288-V2508 HydrophobicContact CG2-CG1 4.16Å; T2288-L2509 WeakPolarHBondContact CA-O 3.44Å; T2288-L2509 PolarHBondContact N-O 3.15Å; T2288-L2509 VanDerWaalsContact O-O 3.07Å; T2288-L2509 PolarHBondContact OG1-O 2.95Å; T2288-T2510 WeakPolarHBondContact OG1-CA 3.37Å; T2288-L2511 PolarHBondContact O-N 2.73Å; T2288-I2546 HydrophobicContact CG2-CD1 3.83Å; T2288-I2546 HydrophobicContact CG2-CG1 3.98Å |
| 2289 | F | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.8 | 178.1 | -65.3 | -76.2 | 0 | 0 | 0 | 111.1 | L2287 Y2301 L2304 L2305 T2320 F2321 F2322 L2511 L2516 L2528 | L2287-F2289 HydrophobicContact CD1-CE2 4.07Å; L2287-F2289 HydrophobicContact CD1-CZ 3.9Å; L2287-F2289 HydrophobicContact CD2-CE2 3.95Å; L2287-F2289 HydrophobicContact CD2-CZ 4.19Å; L2287-F2289 HydrophobicContact CG-CE2 3.75Å; L2287-F2289 HydrophobicContact CG-CZ 4.07Å; F2289-Y2301 HydrophobicContact CB-CE1 4.36Å; F2289-Y2301 HydrophobicContact CD1-CD1 4.47Å; F2289-Y2301 AromaticContact CD1-CE1 3.66Å; F2289-Y2301 HydrophobicContact CD1-CE1 3.66Å; F2289-Y2301 HydrophobicContact CD2-CE1 4.39Å; F2289-Y2301 HydrophobicContact CE1-CD1 4.49Å; F2289-Y2301 HydrophobicContact CE1-CE1 4Å; F2289-Y2301 AromaticContact CG-CE1 3.88Å; F2289-Y2301 HydrophobicContact CG-CE1 3.88Å; F2289-L2304 HydrophobicContact CE1-CD2 4.43Å; F2289-L2304 HydrophobicContact CE2-CD2 4.49Å; F2289-L2304 HydrophobicContact CZ-CD2 3.66Å; F2289-L2305 HydrophobicContact CE2-CD1 4.45Å; F2289-T2320 PolarHBondContact N-O 3.02Å; F2289-F2321 HydrophobicContact CB-CD1 3.62Å; F2289-F2321 HydrophobicContact CB-CE1 3.77Å; F2289-F2321 HydrophobicContact CB-CG 4.49Å; F2289-F2321 HydrophobicContact CD2-CD1 4.16Å; F2289-F2321 AromaticContact CD2-CE1 3.57Å; F2289-F2321 HydrophobicContact CD2-CE1 3.57Å; F2289-F2321 AromaticContact CD2-CZ 3.8Å; F2289-F2321 HydrophobicContact CD2-CZ 3.8Å; F2289-F2321 HydrophobicContact CE2-CE1 4.46Å; F2289-F2321 HydrophobicContact CE2-CZ 4.38Å; F2289-F2321 HydrophobicContact CG-CD1 4.25Å; F2289-F2321 AromaticContact CG-CE1 3.88Å; F2289-F2321 HydrophobicContact CG-CE1 3.88Å; F2289-F2321 WeakPolarHBondContact O-CA 3.44Å; F2289-F2322 PolarHBondContact O-N 3.17Å; F2289-L2511 VanDerWaalsContact CA-O 3.28Å; F2289-L2511 WeakPolarHBondContact CA-O 3.42Å; F2289-L2511 HydrophobicContact CD1-CB 3.85Å; F2289-L2511 HydrophobicContact CD1-CD1 4.38Å; F2289-L2511 HydrophobicContact CE1-CB 3.96Å; F2289-L2511 HydrophobicContact CE1-CD1 3.68Å; F2289-L2511 HydrophobicContact CE1-CG 4.44Å; F2289-L2511 HydrophobicContact CZ-CD1 4.18Å; F2289-L2516 HydrophobicContact CD1-CD1 4.38Å; F2289-L2516 HydrophobicContact CE1-CD1 4.34Å; F2289-L2516 HydrophobicContact CE1-CD2 4.42Å; F2289-L2528 HydrophobicContact CE1-CD2 4.5Å; F2289-L2528 HydrophobicContact CZ-CD2 4.39Å |
| 2290 | D | 93.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 176.7 | 176.8 | -58.7 | -95.9 | 0 | 0 | 0 | 111.4 | R2387 M2474 L2511 N2512 | D2290-R2387 WeakPolarHBondContact OD1-CD 3.41Å; D2290-R2387 IonicContact OD1-CZ 3.32Å; D2290-R2387 IonicContact OD1-NE 3.05Å; D2290-R2387 IonicContact OD1-NH1 3.79Å; D2290-R2387 PolarHBondContact OD1-NH1 2.99Å; D2290-R2387 IonicContact OD2-NH1 3.01Å; D2290-R2387 PolarHBondContact OD2-NH1 3.22Å; D2290-M2474 HydrophobicContact CB-CE 4.28Å; D2290-M2474 VanDerWaalsContact CG-CE 3.49Å; D2290-M2474 WeakPolarHBondContact OD2-CE 3.49Å; D2290-L2511 PolarHBondContact N-O 2.55Å; D2290-N2512 HydrophobicContact CB-CB 4.04Å |
| 2291 | D | 89.4 | Confident | 93.5 | Very high | 26 Ų | 26 | 19.2 Ų | 19.2 | 14% | 0.139 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 70.7 | 170.5 | 171.1 | -53.2 | -39.8 | 0 | 0 | 0 | 114.5 | H2350 N2512 A2513 | D2291-H2350 IonicContact OD1-CD2 2.64Å; D2291-H2350 IonicContact OD1-CE1 3.43Å; D2291-H2350 IonicContact OD1-NE2 2.69Å; D2291-H2350 PolarHBondContact OD1-NE2 2.79Å; D2291-N2512 WeakPolarHBondContact OD2-CB 3.47Å; D2291-A2513 HydrophobicContact CB-CB 4.07Å; D2291-A2513 PolarHBondContact OD2-N 3.22Å |
| 2292 | P | 91.5 | Very high | 93.3 | Very high | 22 Ų | 22 | 23 Ų | 23 | 14% | 0.143 | 12% | 0.118 | C | C | . | . | trans | -65.6 | 140.8 | -175.1 | -23.2 | 34.9 | 0 | 0 | 0 | 114.3 | T2297 E2326 N2328 | P2292-T2297 PolarHBondContact O-OG1 2.88Å; P2292-E2326 WeakPolarHBondContact CB-O 3.14Å; P2292-E2326 WeakPolarHBondContact CG-O 3.32Å; P2292-N2328 HydrophobicContact CB-CB 4.05Å | ||
| 2293 | V | 94.5 | Very high | 93 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | trans | -85.6 | 118.2 | 172.4 | -170.1 | 0 | 0 | 0 | 0 | 108.1 | I2298 Y2301 V2323 N2328 N2329 Q2332 L2336 | V2293-I2298 HydrophobicContact CG1-CB 4.42Å; V2293-I2298 HydrophobicContact CG1-CD1 3.95Å; V2293-Y2301 HydrophobicContact CG1-CD2 4.4Å; V2293-Y2301 HydrophobicContact CG1-CE2 4.47Å; V2293-V2323 HydrophobicContact CG2-CG2 4.45Å; V2293-N2328 PolarHBondContact N-OD1 2.86Å; V2293-N2328 PolarHBondContact O-OD1 2.85Å; V2293-N2329 WeakPolarHBondContact O-CB 3.15Å; V2293-N2329 PolarHBondContact O-N 2.94Å; V2293-Q2332 HydrophobicContact CB-CB 4.49Å; V2293-Q2332 HydrophobicContact CG1-CB 3.63Å; V2293-L2336 HydrophobicContact CG1-CD1 3.93Å; V2293-L2336 HydrophobicContact CG2-CD1 3.84Å | ||
| 2294 | N | 91.8 | Very high | 92.7 | Very high | 37 Ų | 37 | 28.2 Ų | 28.2 | 20% | 0.198 | 15% | 0.145 | C | C | . | . | trans | -147.3 | 174.6 | -175.9 | 62.1 | 41.7 | 0 | 0 | 0 | 111.7 | V2296 T2297 I2298 Q2332 | N2294-V2296 PolarHBondContact O-N 3.19Å; N2294-V2296 PolarHBondContact OD1-N 2.94Å; N2294-V2296 VanDerWaalsContact OD1-N 3.14Å; N2294-T2297 PolarHBondContact N-OG1 2.04Å; N2294-T2297 PolarHBondContact O-N 3.21Å; N2294-T2297 PolarHBondContact O-OG1 2.73Å; N2294-T2297 PolarHBondContact OD1-N 3.35Å; N2294-T2297 PolarHBondContact OD1-OG1 2.83Å; N2294-I2298 WeakPolarHBondContact O-CG2 3.5Å; N2294-I2298 PolarHBondContact O-N 3.13Å; N2294-Q2332 PolarHBondContact O-OE1 3.27Å | ||
| 2295 | E | 86.1 | Confident | 92.4 | Very high | 109 Ų | 109 | 29.1 Ų | 29.1 | 51% | 0.509 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -24 | -176.4 | -50.4 | -54.8 | 160.9 | 0 | 0 | 113.9 | N2329 H2331 Q2332 | E2295-N2329 PolarHBondContact N-ND2 2.85Å; E2295-N2329 PolarHBondContact OE1-ND2 3.43Å; E2295-H2331 IonicContact OE1-CE1 2.62Å; E2295-Q2332 PolarHBondContact OE1-NE2 3.16Å; E2295-Q2332 PolarHBondContact OE2-NE2 3.32Å |
| 2296 | V | 84.7 | Confident | 91.9 | Very high | 90 Ų | 90 | 33.7 Ų | 33.7 | 55% | 0.545 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -25 | -178.5 | -151.8 | 0 | 0 | 0 | 0 | 112.3 | N2294 R2517 | N2294-V2296 PolarHBondContact O-N 3.19Å; N2294-V2296 PolarHBondContact OD1-N 2.94Å; N2294-V2296 VanDerWaalsContact OD1-N 3.14Å; V2296-R2517 PolarHBondContact O-NH2 3.42Å |
| 2297 | T | 89.9 | Confident | 91.4 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -33.2 | 177.8 | 46.1 | 0 | 0 | 0 | 0 | 112.8 | P2292 N2294 D2299 I2300 Y2301 A2513 | P2292-T2297 PolarHBondContact O-OG1 2.88Å; N2294-T2297 PolarHBondContact N-OG1 2.04Å; N2294-T2297 PolarHBondContact O-N 3.21Å; N2294-T2297 PolarHBondContact O-OG1 2.73Å; N2294-T2297 PolarHBondContact OD1-N 3.35Å; N2294-T2297 PolarHBondContact OD1-OG1 2.83Å; T2297-D2299 VanDerWaalsContact C-N 3.34Å; T2297-D2299 PolarHBondContact O-N 2.96Å; T2297-I2300 WeakPolarHBondContact O-CB 3.46Å; T2297-I2300 PolarHBondContact O-N 3.13Å; T2297-Y2301 HydrophobicContact CG2-CE2 4.48Å; T2297-Y2301 WeakPolarHBondContact O-CD2 3.39Å; T2297-Y2301 PolarHBondContact O-N 3.24Å; T2297-A2513 HydrophobicContact CG2-CB 4.44Å |
| 2298 | I | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -35.4 | -169.3 | -170.5 | 55.6 | 0 | 0 | 0 | 113.8 | V2293 N2294 Y2301 R2302 Q2332 W2335 L2336 | V2293-I2298 HydrophobicContact CG1-CB 4.42Å; V2293-I2298 HydrophobicContact CG1-CD1 3.95Å; N2294-I2298 WeakPolarHBondContact O-CG2 3.5Å; N2294-I2298 PolarHBondContact O-N 3.13Å; I2298-Y2301 PolarHBondContact O-N 2.03Å; I2298-R2302 HydrophobicContact CG1-CG 4.37Å; I2298-R2302 WeakPolarHBondContact O-CB 3.46Å; I2298-R2302 VanDerWaalsContact O-CG 3.28Å; I2298-R2302 WeakPolarHBondContact O-CG 3.4Å; I2298-R2302 PolarHBondContact O-N 3.43Å; I2298-Q2332 HydrophobicContact CD1-CB 4.01Å; I2298-Q2332 HydrophobicContact CG1-CB 4.07Å; I2298-Q2332 HydrophobicContact CG1-CG 4.2Å; I2298-W2335 HydrophobicContact CD1-CE3 4.08Å; I2298-W2335 HydrophobicContact CD1-CZ3 4.49Å; I2298-L2336 HydrophobicContact CD1-CG 4.44Å |
| 2299 | D | 89.2 | Confident | 90.9 | Very high | 82 Ų | 82 | 40.6 Ų | 40.6 | 44% | 0.439 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -73.8 | -29.5 | -179.7 | -70.3 | -21.9 | 0 | 0 | 0 | 112.7 | T2297 R2302 N2303 | T2297-D2299 VanDerWaalsContact C-N 3.34Å; T2297-D2299 PolarHBondContact O-N 2.96Å; D2299-R2302 VanDerWaalsContact OD1-CD 3.29Å; D2299-R2302 WeakPolarHBondContact OD1-CD 3.48Å; D2299-R2302 IonicContact OD1-CZ 3.94Å; D2299-R2302 IonicContact OD1-NE 2.69Å; D2299-R2302 IonicContact OD1-NH1 3.31Å; D2299-R2302 PolarHBondContact OD1-NH1 2.71Å; D2299-N2303 WeakPolarHBondContact O-CB 3.46Å; D2299-N2303 PolarHBondContact O-N 3.07Å; D2299-N2303 PolarHBondContact O-ND2 3.28Å |
| 2300 | I | 91 | Very high | 90.8 | Very high | 28 Ų | 28 | 46 Ų | 46 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 169.3 | -55.6 | 175.8 | 0 | 0 | 0 | 109.3 | T2297 N2303 L2304 L2516 R2517 V2525 | T2297-I2300 WeakPolarHBondContact O-CB 3.46Å; T2297-I2300 PolarHBondContact O-N 3.13Å; I2300-N2303 PolarHBondContact O-N 3.41Å; I2300-L2304 VanDerWaalsContact O-CB 3.23Å; I2300-L2304 WeakPolarHBondContact O-CB 3.24Å; I2300-L2304 PolarHBondContact O-N 3.12Å; I2300-L2516 HydrophobicContact CD1-CB 4.33Å; I2300-L2516 HydrophobicContact CG2-CD1 4.38Å; I2300-L2516 HydrophobicContact CG2-CD2 4.4Å; I2300-R2517 HydrophobicContact CD1-CG 4.19Å; I2300-V2525 HydrophobicContact CG2-CG1 4.38Å; I2300-V2525 HydrophobicContact CG2-CG2 3.66Å |
| 2301 | Y | 94.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 177.9 | -58.1 | -35.7 | 0 | 0 | 0 | 112.6 | F2289 V2293 T2297 I2298 L2304 L2305 F2321 L2336 L2516 | F2289-Y2301 HydrophobicContact CB-CE1 4.36Å; F2289-Y2301 HydrophobicContact CD1-CD1 4.47Å; F2289-Y2301 AromaticContact CD1-CE1 3.66Å; F2289-Y2301 HydrophobicContact CD1-CE1 3.66Å; F2289-Y2301 HydrophobicContact CD2-CE1 4.39Å; F2289-Y2301 HydrophobicContact CE1-CD1 4.49Å; F2289-Y2301 HydrophobicContact CE1-CE1 4Å; F2289-Y2301 AromaticContact CG-CE1 3.88Å; F2289-Y2301 HydrophobicContact CG-CE1 3.88Å; V2293-Y2301 HydrophobicContact CG1-CD2 4.4Å; V2293-Y2301 HydrophobicContact CG1-CE2 4.47Å; T2297-Y2301 HydrophobicContact CG2-CE2 4.48Å; T2297-Y2301 WeakPolarHBondContact O-CD2 3.39Å; T2297-Y2301 PolarHBondContact O-N 3.24Å; I2298-Y2301 PolarHBondContact O-N 2.03Å; Y2301-L2304 PolarHBondContact O-N 3.32Å; Y2301-L2305 VanDerWaalsContact O-CB 3.26Å; Y2301-L2305 WeakPolarHBondContact O-CB 3.36Å; Y2301-L2305 WeakPolarHBondContact O-CG 3.38Å; Y2301-L2305 PolarHBondContact O-N 3.05Å; Y2301-F2321 AromaticContact CD1-CE1 3.98Å; Y2301-F2321 HydrophobicContact CD1-CE1 3.98Å; Y2301-F2321 HydrophobicContact CD1-CZ 4.45Å; Y2301-F2321 AromaticContact CD2-CE1 3.81Å; Y2301-F2321 HydrophobicContact CD2-CE1 3.81Å; Y2301-F2321 HydrophobicContact CD2-CZ 4.49Å; Y2301-F2321 HydrophobicContact CE1-CE1 4.02Å; Y2301-F2321 HydrophobicContact CE2-CD1 4.36Å; Y2301-F2321 AromaticContact CE2-CE1 3.84Å; Y2301-F2321 HydrophobicContact CE2-CE1 3.84Å; Y2301-F2321 AromaticContact CG-CE1 3.9Å; Y2301-F2321 HydrophobicContact CG-CE1 3.9Å; Y2301-F2321 HydrophobicContact CG-CZ 4.27Å; Y2301-F2321 AromaticContact CZ-CE1 3.96Å; Y2301-L2336 HydrophobicContact CD2-CD1 4.46Å; Y2301-L2516 HydrophobicContact CE1-CD1 3.75Å |
| 2302 | R | 91.8 | Very high | 91 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 175.6 | -77.5 | 164.3 | 174.2 | 156.9 | 2.9 | 112.1 | I2298 D2299 D2306 W2335 | I2298-R2302 HydrophobicContact CG1-CG 4.37Å; I2298-R2302 WeakPolarHBondContact O-CB 3.46Å; I2298-R2302 VanDerWaalsContact O-CG 3.28Å; I2298-R2302 WeakPolarHBondContact O-CG 3.4Å; I2298-R2302 PolarHBondContact O-N 3.43Å; D2299-R2302 VanDerWaalsContact OD1-CD 3.29Å; D2299-R2302 WeakPolarHBondContact OD1-CD 3.48Å; D2299-R2302 IonicContact OD1-CZ 3.94Å; D2299-R2302 IonicContact OD1-NE 2.69Å; D2299-R2302 IonicContact OD1-NH1 3.31Å; D2299-R2302 PolarHBondContact OD1-NH1 2.71Å; R2302-D2306 PolarHBondContact O-N 2.83Å; R2302-W2335 HydrophobicContact CB-CH2 4.32Å; R2302-W2335 HydrophobicContact CG-CH2 3.6Å; R2302-W2335 HydrophobicContact CG-CZ2 4Å; R2302-W2335 HydrophobicContact CG-CZ3 3.87Å |
| 2303 | N | 88.4 | Confident | 90.9 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 57% | 0.572 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -73.3 | -35 | -177.8 | -67.3 | -13.8 | 0 | 0 | 0 | 112.5 | D2299 I2300 R2308 | D2299-N2303 WeakPolarHBondContact O-CB 3.46Å; D2299-N2303 PolarHBondContact O-N 3.07Å; D2299-N2303 PolarHBondContact O-ND2 3.28Å; I2300-N2303 PolarHBondContact O-N 3.41Å; N2303-R2308 PolarHBondContact O-NH1 3.02Å |
| 2304 | L | 91.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.2 | -30.1 | 179 | -174.9 | 69.2 | 0 | 0 | 0 | 113 | F2289 I2300 Y2301 Y2309 L2528 E2529 L2532 | F2289-L2304 HydrophobicContact CE1-CD2 4.43Å; F2289-L2304 HydrophobicContact CE2-CD2 4.49Å; F2289-L2304 HydrophobicContact CZ-CD2 3.66Å; I2300-L2304 VanDerWaalsContact O-CB 3.23Å; I2300-L2304 WeakPolarHBondContact O-CB 3.24Å; I2300-L2304 PolarHBondContact O-N 3.12Å; Y2301-L2304 PolarHBondContact O-N 3.32Å; L2304-Y2309 HydrophobicContact CD1-CE2 4.33Å; L2304-L2528 HydrophobicContact CD1-CD2 4.24Å; L2304-L2528 HydrophobicContact CD1-CG 4.4Å; L2304-L2528 HydrophobicContact CD2-CD2 3.59Å; L2304-E2529 HydrophobicContact CD1-CG 3.94Å; L2304-L2532 HydrophobicContact CD1-CD1 3.86Å |
| 2305 | L | 92.1 | Very high | 90.6 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 10% | 0.099 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 32 | -172 | -53.3 | 167.3 | 0 | 0 | 0 | 111.5 | L2287 F2289 Y2301 G2307 I2317 F2321 | L2287-L2305 HydrophobicContact CD2-CD2 4.29Å; F2289-L2305 HydrophobicContact CE2-CD1 4.45Å; Y2301-L2305 VanDerWaalsContact O-CB 3.26Å; Y2301-L2305 WeakPolarHBondContact O-CB 3.36Å; Y2301-L2305 WeakPolarHBondContact O-CG 3.38Å; Y2301-L2305 PolarHBondContact O-N 3.05Å; L2305-G2307 PolarHBondContact O-N 2.98Å; L2305-I2317 HydrophobicContact CD2-CD1 4.28Å; L2305-I2317 HydrophobicContact CD2-CG1 4.31Å; L2305-F2321 HydrophobicContact CD1-CE2 4.32Å; L2305-F2321 HydrophobicContact CD1-CZ 3.8Å |
| 2306 | D | 88.2 | Confident | 91 | Very high | 96 Ų | 96 | 47.2 Ų | 47.2 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -66.3 | -19.5 | 177.4 | 65.5 | -11.4 | 0 | 0 | 0 | 114 | R2302 R2308 | R2302-D2306 PolarHBondContact O-N 2.83Å; D2306-R2308 VanDerWaalsContact OD1-CB 3.24Å; D2306-R2308 WeakPolarHBondContact OD1-CB 3.08Å; D2306-R2308 VanDerWaalsContact OD1-CD 3.3Å; D2306-R2308 WeakPolarHBondContact OD1-CD 3.24Å; D2306-R2308 WeakPolarHBondContact OD1-CG 3.39Å; D2306-R2308 PolarHBondContact OD1-N 2.84Å; D2306-R2308 VanDerWaalsContact OD2-CD 3.25Å; D2306-R2308 WeakPolarHBondContact OD2-CD 3.22Å |
| 2307 | G | 86.4 | Confident | 91.5 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 104.8 | 3.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L2305 Y2309 K2310 | L2305-G2307 PolarHBondContact O-N 2.98Å; G2307-Y2309 VanDerWaalsContact C-N 3.34Å; G2307-K2310 WeakPolarHBondContact O-CE 3.45Å |
| 2308 | R | 90 | Very high | 91.6 | Very high | 107 Ų | 107 | 46.1 Ų | 46.1 | 40% | 0.404 | 24% | 0.244 | S | C | . | . | trans | -66.3 | -36.7 | 173.8 | 80.8 | -161.8 | -155.7 | -147.3 | 10.3 | 112.1 | N2303 D2306 E2529 | N2303-R2308 PolarHBondContact O-NH1 3.02Å; D2306-R2308 VanDerWaalsContact OD1-CB 3.24Å; D2306-R2308 WeakPolarHBondContact OD1-CB 3.08Å; D2306-R2308 VanDerWaalsContact OD1-CD 3.3Å; D2306-R2308 WeakPolarHBondContact OD1-CD 3.24Å; D2306-R2308 WeakPolarHBondContact OD1-CG 3.39Å; D2306-R2308 PolarHBondContact OD1-N 2.84Å; D2306-R2308 VanDerWaalsContact OD2-CD 3.25Å; D2306-R2308 WeakPolarHBondContact OD2-CD 3.22Å; R2308-E2529 IonicContact CZ-OE1 3.85Å; R2308-E2529 IonicContact NH1-OE1 3.57Å; R2308-E2529 PolarHBondContact NH1-OE1 2.91Å; R2308-E2529 VanDerWaalsContact NH1-OE1 3.08Å; R2308-E2529 VanDerWaalsContact NH2-CD 3.26Å; R2308-E2529 IonicContact NH2-OE1 3.34Å; R2308-E2529 PolarHBondContact NH2-OE1 2.04Å | ||
| 2309 | Y | 95 | Very high | 91.8 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -84.6 | 123.6 | 174.6 | -69.4 | -59 | 0 | 0 | 0 | 110.1 | L2304 G2307 P2316 I2317 E2529 L2532 S2533 L2536 | L2304-Y2309 HydrophobicContact CD1-CE2 4.33Å; G2307-Y2309 VanDerWaalsContact C-N 3.34Å; Y2309-P2316 WeakPolarHBondContact O-CA 3.21Å; Y2309-I2317 HydrophobicContact CD2-CD1 4.39Å; Y2309-I2317 HydrophobicContact CG-CD1 4.24Å; Y2309-I2317 PolarHBondContact O-N 3.34Å; Y2309-E2529 WeakPolarHBondContact OH-CA 3.39Å; Y2309-E2529 PolarHBondContact OH-O 3.24Å; Y2309-L2532 HydrophobicContact CD1-CB 4.09Å; Y2309-L2532 HydrophobicContact CD2-CD1 4.03Å; Y2309-L2532 HydrophobicContact CE1-CB 3.79Å; Y2309-L2532 HydrophobicContact CE2-CB 4.24Å; Y2309-L2532 HydrophobicContact CE2-CD1 3.95Å; Y2309-L2532 HydrophobicContact CG-CB 4.45Å; Y2309-S2533 WeakPolarHBondContact CE1-OG 3.33Å; Y2309-S2533 PolarHBondContact OH-OG 2.85Å; Y2309-S2533 VanDerWaalsContact OH-OG 3.13Å; Y2309-L2536 HydrophobicContact CD1-CD1 3.72Å; Y2309-L2536 HydrophobicContact CG-CD1 4.12Å |
| 2310 | K | 94 | Very high | 92.2 | Very high | 112 Ų | 112 | 42.2 Ų | 42.2 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -132 | 146.6 | -174.3 | -67.2 | 175.3 | 173.6 | -172.2 | 0 | 111.2 | G2307 G2314 C2315 | G2307-K2310 WeakPolarHBondContact O-CE 3.45Å; K2310-G2314 WeakPolarHBondContact CD-O 3.38Å; K2310-C2315 CarbonylContact C-O 3.49Å; K2310-C2315 VanDerWaalsContact CA-O 3.24Å; K2310-C2315 WeakPolarHBondContact CA-O 3.42Å |
| 2311 | N | 94.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | trans | -75.2 | 167.1 | 169.6 | -76.7 | -39.8 | 0 | 0 | 0 | 111.2 | N2313 G2314 C2315 W2542 V2543 | N2311-N2313 PolarHBondContact O-N 3.38Å; N2311-N2313 VanDerWaalsContact O-N 3.09Å; N2311-G2314 PolarHBondContact O-N 2.04Å; N2311-C2315 PolarHBondContact N-O 3.36Å; N2311-W2542 HydrophobicContact CB-CE3 3.86Å; N2311-W2542 HydrophobicContact CB-CZ3 4.12Å; N2311-V2543 PolarHBondContact ND2-O 2.68Å; N2311-V2543 PolarHBondContact OD1-N 2.8Å; N2311-V2543 PolarHBondContact OD1-O 2.78Å | ||
| 2312 | P | 92.1 | Very high | 92.7 | Very high | 60 Ų | 60 | 41.1 Ų | 41.1 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.5 | -176.8 | -29.1 | 37.3 | 0 | 0 | 0 | 115.7 | G2314 P2539 V2541 W2542 | P2312-G2314 VanDerWaalsContact C-N 3.27Å; P2312-G2314 PolarHBondContact O-N 3.02Å; P2312-P2539 VanDerWaalsContact CG-O 3.32Å; P2312-P2539 WeakPolarHBondContact CG-O 3.47Å; P2312-V2541 WeakPolarHBondContact CD-O 3.26Å; P2312-W2542 HydrophobicContact CB-CH2 4.48Å; P2312-W2542 HydrophobicContact CB-CZ2 3.91Å; P2312-W2542 HydrophobicContact CG-CD2 4.26Å; P2312-W2542 HydrophobicContact CG-CZ2 4.08Å |
| 2313 | N | 89.5 | Confident | 92.9 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 10.9 | 172.9 | 66.4 | -7.7 | 0 | 0 | 0 | 114.4 | N2311 C2315 W2542 E2563 W2568 | N2311-N2313 PolarHBondContact O-N 3.38Å; N2311-N2313 VanDerWaalsContact O-N 3.09Å; N2313-C2315 VanDerWaalsContact C-N 3.27Å; N2313-C2315 PolarHBondContact ND2-SG 2.85Å; N2313-C2315 VanDerWaalsContact ND2-SG 3.35Å; N2313-C2315 PolarHBondContact O-N 3.49Å; N2313-C2315 PolarHBondContact OD1-N 2.94Å; N2313-C2315 PolarHBondContact OD1-SG 2.03Å; N2313-W2542 HydrophobicContact CB-CH2 3.83Å; N2313-W2542 HydrophobicContact CB-CZ3 4.24Å; N2313-E2563 HydrophobicContact CB-CG 4.45Å; N2313-W2568 PolarHBondContact ND2-O 3.39Å |
| 2314 | G | 89.3 | Confident | 93.2 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 40% | 0.402 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 79.5 | -6.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K2310 N2311 P2312 | K2310-G2314 WeakPolarHBondContact CD-O 3.38Å; N2311-G2314 PolarHBondContact O-N 2.04Å; P2312-G2314 VanDerWaalsContact C-N 3.27Å; P2312-G2314 PolarHBondContact O-N 3.02Å |
| 2315 | C | 90.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 141.7 | 175.7 | -45.9 | 0 | 0 | 0 | 0 | 110.7 | K2310 N2311 N2313 C2570 | K2310-C2315 CarbonylContact C-O 3.49Å; K2310-C2315 VanDerWaalsContact CA-O 3.24Å; K2310-C2315 WeakPolarHBondContact CA-O 3.42Å; N2311-C2315 PolarHBondContact N-O 3.36Å; N2313-C2315 VanDerWaalsContact C-N 3.27Å; N2313-C2315 PolarHBondContact ND2-SG 2.85Å; N2313-C2315 VanDerWaalsContact ND2-SG 3.35Å; N2313-C2315 PolarHBondContact O-N 3.49Å; N2313-C2315 PolarHBondContact OD1-N 2.94Å; N2313-C2315 PolarHBondContact OD1-SG 2.03Å; C2315-C2570 WeakPolarHBondContact CA-SG 3.29Å; C2315-C2570 HydrophobicContact CB-CB 4.14Å; C2315-C2570 WeakPolarHBondContact CB-SG 3.43Å; C2315-C2570 WeakPolarHBondContact SG-CA 3.33Å; C2315-C2570 WeakPolarHBondContact SG-CB 3.45Å; C2315-C2570 PolarHBondContact SG-N 2.84Å; C2315-C2570 CovalentContact SG-SG 2.04Å; C2315-C2570 PolarHBondContact SG-SG 2.85Å |
| 2316 | P | 93.4 | Very high | 93.1 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 44% | 0.442 | 18% | 0.183 | S | C | . | . | B | Isolated β-bridge | trans | -51 | 144.8 | 167.4 | -28.7 | 37.2 | 0 | 0 | 0 | 112.6 | Y2309 | Y2309-P2316 WeakPolarHBondContact O-CA 3.21Å |
| 2317 | I | 95.4 | Very high | 93 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 145.6 | 172.7 | 65.3 | 169.5 | 0 | 0 | 0 | 110.6 | L2287 L2305 Y2309 L2532 L2536 V2543 | L2287-I2317 HydrophobicContact CD2-CD1 4.39Å; L2305-I2317 HydrophobicContact CD2-CD1 4.28Å; L2305-I2317 HydrophobicContact CD2-CG1 4.31Å; Y2309-I2317 HydrophobicContact CD2-CD1 4.39Å; Y2309-I2317 HydrophobicContact CG-CD1 4.24Å; Y2309-I2317 PolarHBondContact O-N 3.34Å; I2317-L2532 HydrophobicContact CD1-CD1 4.19Å; I2317-L2532 HydrophobicContact CD1-CD2 4.22Å; I2317-L2536 HydrophobicContact CG2-CD1 3.98Å; I2317-L2536 HydrophobicContact CG2-CD2 4.21Å; I2317-V2543 HydrophobicContact CB-CB 3.97Å; I2317-V2543 HydrophobicContact CB-CG1 3.97Å; I2317-V2543 HydrophobicContact CD1-CG1 4.2Å; I2317-V2543 HydrophobicContact CG2-CB 3.76Å; I2317-V2543 HydrophobicContact CG2-CG1 4.29Å; I2317-V2543 HydrophobicContact CG2-CG2 4.36Å |
| 2318 | K | 93.7 | Very high | 93.4 | Very high | 62 Ų | 62 | 34.6 Ų | 34.6 | 27% | 0.27 | 17% | 0.174 | S | C | . | . | trans | -111.1 | 166.7 | 174.4 | -57.1 | -172.7 | -153.3 | 150.3 | 0 | 110.9 | T2545 D2548 | K2318-T2545 HydrophobicContact CB-CG2 3.51Å; K2318-T2545 HydrophobicContact CD-CG2 3.99Å; K2318-T2545 HydrophobicContact CG-CG2 4.45Å; K2318-D2548 WeakPolarHBondContact CD-OD2 2.79Å; K2318-D2548 IonicContact NZ-OD1 2.67Å; K2318-D2548 IonicContact NZ-OD2 2.72Å; K2318-D2548 PolarHBondContact NZ-OD2 2.88Å | ||
| 2319 | S | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -147 | 167.2 | 179.7 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | L2287 F2321 H2341 E2342 | L2287-S2319 CarbonylContact O-C 3.59Å; L2287-S2319 VanDerWaalsContact O-CA 3.23Å; L2287-S2319 WeakPolarHBondContact O-CA 3.43Å; L2287-S2319 WeakPolarHBondContact O-CB 3.47Å; S2319-F2321 WeakPolarHBondContact OG-CE2 3.32Å; S2319-H2341 PolarHBondContact N-ND1 3.31Å; S2319-H2341 PolarHBondContact OG-ND1 3.37Å; S2319-E2342 PolarHBondContact O-N 2.89Å | ||
| 2320 | T | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.5 | -177.8 | -43.8 | 0 | 0 | 0 | 0 | 109.5 | L2287 T2288 F2289 F2322 E2342 A2344 T2545 I2546 | L2287-T2320 PolarHBondContact O-N 2.04Å; T2288-T2320 CarbonylContact C-O 3.53Å; T2288-T2320 VanDerWaalsContact CA-O 3.29Å; T2288-T2320 WeakPolarHBondContact CA-O 3.25Å; F2289-T2320 PolarHBondContact N-O 3.02Å; T2320-F2322 HydrophobicContact CG2-CD2 4.36Å; T2320-F2322 HydrophobicContact CG2-CE2 3.84Å; T2320-F2322 HydrophobicContact CG2-CZ 4.15Å; T2320-E2342 WeakPolarHBondContact CA-O 3.08Å; T2320-E2342 HydrophobicContact CG2-CB 4.13Å; T2320-E2342 HydrophobicContact CG2-CG 3.91Å; T2320-A2344 HydrophobicContact CG2-CB 4.4Å; T2320-T2545 WeakPolarHBondContact OG1-CA 3.1Å; T2320-I2546 HydrophobicContact CG2-CD1 4.11Å; T2320-I2546 HydrophobicContact CG2-CG1 4.26Å; T2320-I2546 PolarHBondContact OG1-N 2.83Å; T2320-I2546 VanDerWaalsContact OG1-N 3.09Å |
| 2321 | F | 98 | Very high | 93.8 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117.5 | 178.6 | -66.6 | -91.4 | 0 | 0 | 0 | 110.8 | F2289 Y2301 L2305 S2319 V2323 L2336 H2341 E2342 I2343 A2344 | F2289-F2321 HydrophobicContact CB-CD1 3.62Å; F2289-F2321 HydrophobicContact CB-CE1 3.77Å; F2289-F2321 HydrophobicContact CB-CG 4.49Å; F2289-F2321 HydrophobicContact CD2-CD1 4.16Å; F2289-F2321 AromaticContact CD2-CE1 3.57Å; F2289-F2321 HydrophobicContact CD2-CE1 3.57Å; F2289-F2321 AromaticContact CD2-CZ 3.8Å; F2289-F2321 HydrophobicContact CD2-CZ 3.8Å; F2289-F2321 HydrophobicContact CE2-CE1 4.46Å; F2289-F2321 HydrophobicContact CE2-CZ 4.38Å; F2289-F2321 HydrophobicContact CG-CD1 4.25Å; F2289-F2321 AromaticContact CG-CE1 3.88Å; F2289-F2321 HydrophobicContact CG-CE1 3.88Å; F2289-F2321 WeakPolarHBondContact O-CA 3.44Å; Y2301-F2321 AromaticContact CD1-CE1 3.98Å; Y2301-F2321 HydrophobicContact CD1-CE1 3.98Å; Y2301-F2321 HydrophobicContact CD1-CZ 4.45Å; Y2301-F2321 AromaticContact CD2-CE1 3.81Å; Y2301-F2321 HydrophobicContact CD2-CE1 3.81Å; Y2301-F2321 HydrophobicContact CD2-CZ 4.49Å; Y2301-F2321 HydrophobicContact CE1-CE1 4.02Å; Y2301-F2321 HydrophobicContact CE2-CD1 4.36Å; Y2301-F2321 AromaticContact CE2-CE1 3.84Å; Y2301-F2321 HydrophobicContact CE2-CE1 3.84Å; Y2301-F2321 AromaticContact CG-CE1 3.9Å; Y2301-F2321 HydrophobicContact CG-CE1 3.9Å; Y2301-F2321 HydrophobicContact CG-CZ 4.27Å; Y2301-F2321 AromaticContact CZ-CE1 3.96Å; L2305-F2321 HydrophobicContact CD1-CE2 4.32Å; L2305-F2321 HydrophobicContact CD1-CZ 3.8Å; S2319-F2321 WeakPolarHBondContact OG-CE2 3.32Å; F2321-V2323 HydrophobicContact CB-CG2 4.12Å; F2321-V2323 PolarHBondContact O-N 3.02Å; F2321-L2336 HydrophobicContact CD1-CD1 3.87Å; F2321-L2336 HydrophobicContact CD2-CB 4.43Å; F2321-L2336 HydrophobicContact CD2-CD1 4.04Å; F2321-L2336 HydrophobicContact CE1-CD1 3.81Å; F2321-L2336 HydrophobicContact CE1-CD2 4.39Å; F2321-L2336 HydrophobicContact CE2-CB 4.35Å; F2321-L2336 HydrophobicContact CE2-CD1 3.96Å; F2321-L2336 HydrophobicContact CE2-CD2 3.79Å; F2321-L2336 HydrophobicContact CE2-CG 4.25Å; F2321-L2336 HydrophobicContact CG-CD1 3.99Å; F2321-L2336 HydrophobicContact CZ-CD1 3.85Å; F2321-L2336 HydrophobicContact CZ-CD2 3.68Å; F2321-L2336 HydrophobicContact CZ-CG 4.34Å; F2321-H2341 HydrophobicContact CD2-CB 4.06Å; F2321-H2341 HydrophobicContact CE2-CB 3.91Å; F2321-H2341 AromaticContact CE2-CG 3.91Å; F2321-H2341 AromaticContact CE2-ND1 3.91Å; F2321-E2342 PolarHBondContact N-O 2.95Å; F2321-I2343 HydrophobicContact CB-CD1 4.12Å; F2321-I2343 HydrophobicContact CD2-CD1 4.37Å; F2321-A2344 PolarHBondContact O-N 3.35Å |
| 2322 | F | 98 | Very high | 93.8 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 89.4 | 176.1 | -71 | -85.3 | 0 | 0 | 0 | 109.8 | T2288 F2289 T2320 A2344 N2346 R2387 Y2409 N2411 I2546 | T2288-F2322 HydrophobicContact CG2-CE2 4.29Å; F2289-F2322 PolarHBondContact O-N 3.17Å; T2320-F2322 HydrophobicContact CG2-CD2 4.36Å; T2320-F2322 HydrophobicContact CG2-CE2 3.84Å; T2320-F2322 HydrophobicContact CG2-CZ 4.15Å; F2322-A2344 HydrophobicContact CD1-CB 3.41Å; F2322-A2344 VanDerWaalsContact CD1-CB 3.41Å; F2322-A2344 HydrophobicContact CE1-CB 3.51Å; F2322-A2344 HydrophobicContact CG-CB 4.11Å; F2322-A2344 HydrophobicContact CZ-CB 4.27Å; F2322-N2346 HydrophobicContact CB-CB 4.14Å; F2322-R2387 HydrophobicContact CB-CB 4.4Å; F2322-R2387 HydrophobicContact CD1-CB 3.34Å; F2322-R2387 VanDerWaalsContact CD2-CZ 3.49Å; F2322-R2387 HydrophobicContact CE1-CB 3.55Å; F2322-R2387 VanDerWaalsContact CE2-CZ 3.41Å; F2322-R2387 VanDerWaalsContact CE2-NH2 3.33Å; F2322-R2387 HydrophobicContact CG-CB 3.86Å; F2322-R2387 HydrophobicContact CZ-CB 4.21Å; F2322-Y2409 HydrophobicContact CE1-CE2 4.26Å; F2322-Y2409 AromaticContact CZ-CE2 3.99Å; F2322-Y2409 HydrophobicContact CZ-CE2 3.99Å; F2322-N2411 HydrophobicContact CZ-CB 4.05Å; F2322-I2546 HydrophobicContact CE2-CD1 3.79Å; F2322-I2546 HydrophobicContact CZ-CD1 3.58Å |
| 2323 | V | 96.7 | Very high | 94 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 134.1 | -168 | -171.1 | 0 | 0 | 0 | 0 | 111 | V2293 F2321 N2328 I2343 A2344 N2346 M2368 L2372 | V2293-V2323 HydrophobicContact CG2-CG2 4.45Å; F2321-V2323 HydrophobicContact CB-CG2 4.12Å; F2321-V2323 PolarHBondContact O-N 3.02Å; V2323-N2328 HydrophobicContact CG1-CB 4.5Å; V2323-N2328 WeakPolarHBondContact CG1-OD1 3.07Å; V2323-I2343 HydrophobicContact CG2-CG2 4.08Å; V2323-A2344 PolarHBondContact N-O 3.48Å; V2323-N2346 PolarHBondContact O-N 3.22Å; V2323-M2368 HydrophobicContact CB-CE 4.18Å; V2323-M2368 HydrophobicContact CG1-CE 3.73Å; V2323-L2372 HydrophobicContact CB-CD2 4.33Å; V2323-L2372 HydrophobicContact CG1-CD2 4.27Å |
| 2324 | S | 94.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | trans | -103.8 | 161.3 | 169.3 | -52.8 | 0 | 0 | 0 | 0 | 110.8 | N2328 N2346 S2347 H2350 M2368 | S2324-N2328 WeakPolarHBondContact O-CB 3.5Å; S2324-N2346 WeakPolarHBondContact CB-O 3.45Å; S2324-N2346 WeakPolarHBondContact OG-CB 3.38Å; S2324-N2346 PolarHBondContact OG-ND2 3.04Å; S2324-N2346 VanDerWaalsContact OG-ND2 3.12Å; S2324-N2346 PolarHBondContact OG-O 3.07Å; S2324-S2347 WeakPolarHBondContact CA-O 3.44Å; S2324-H2350 PolarHBondContact OG-CD2 3.04Å; S2324-M2368 WeakPolarHBondContact O-CE 3.47Å | ||
| 2325 | H | 94.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -73.8 | -52.6 | -176.8 | -174.7 | -8.9 | 0 | 0 | 0 | 113 | Y2327 N2328 Y2330 I2348 M2368 L2371 Y2611 P2612 | H2325-Y2327 PolarHBondContact O-N 3.05Å; H2325-N2328 WeakPolarHBondContact O-CB 3.23Å; H2325-N2328 PolarHBondContact O-N 2.79Å; H2325-Y2330 AromaticContact CE1-CE2 3.7Å; H2325-Y2330 PolarHBondContact CE1-OH 2.78Å; H2325-Y2330 AromaticContact ND1-CE2 3.64Å; H2325-Y2330 AromaticContact ND1-CZ 3.77Å; H2325-Y2330 PolarHBondContact ND1-OH 3.07Å; H2325-I2348 HydrophobicContact CB-CB 4.31Å; H2325-I2348 HydrophobicContact CB-CG2 3.82Å; H2325-I2348 WeakPolarHBondContact CB-O 3.22Å; H2325-I2348 PolarHBondContact N-O 2.94Å; H2325-M2368 HydrophobicContact CB-CE 4.45Å; H2325-M2368 HydrophobicContact CB-SD 3.92Å; H2325-L2371 HydrophobicContact CB-CD1 4.45Å; H2325-L2371 WeakPolarHBondContact CD2-CD1 3.4Å; H2325-Y2611 AromaticContact CE1-CE2 3.76Å; H2325-Y2611 AromaticContact CE1-CZ 3.87Å; H2325-P2612 PolarHBondContact CD2-O 2.96Å; H2325-P2612 WeakPolarHBondContact NE2-CB 3.32Å; H2325-P2612 WeakPolarHBondContact NE2-CD 2.87Å; H2325-P2612 PolarHBondContact NE2-O 2.79Å; H2325-P2612 VanDerWaalsContact NE2-O 3.11Å |
| 2326 | E | 87 | Confident | 94.7 | Very high | 53 Ų | 53 | 20.3 Ų | 20.3 | 25% | 0.248 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 136.8 | -162.7 | -150.8 | -177.7 | -161.8 | 0 | 0 | 112.3 | P2292 N2328 H2599 Y2611 W2613 | P2292-E2326 WeakPolarHBondContact CB-O 3.14Å; P2292-E2326 WeakPolarHBondContact CG-O 3.32Å; E2326-N2328 PolarHBondContact O-N 2.81Å; E2326-H2599 IonicContact OE1-CE1 2.8Å; E2326-H2599 PolarHBondContact OE1-CE1 3.25Å; E2326-H2599 IonicContact OE1-ND1 2.64Å; E2326-H2599 PolarHBondContact OE1-ND1 2.88Å; E2326-Y2611 WeakPolarHBondContact CA-OH 3.47Å; E2326-Y2611 WeakPolarHBondContact CG-OH 3.22Å; E2326-W2613 HydrophobicContact CB-CH2 4.28Å; E2326-W2613 HydrophobicContact CB-CZ3 4.18Å; E2326-W2613 HydrophobicContact CG-CH2 4.3Å; E2326-W2613 HydrophobicContact CG-CZ3 4.19Å |
| 2327 | Y | 87.3 | Confident | 94.8 | Very high | 133 Ų | 133 | 17.3 Ų | 17.3 | 52% | 0.522 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 9.8 | -175 | -46.6 | -79.3 | 0 | 0 | 0 | 116.6 | H2325 N2329 | H2325-Y2327 PolarHBondContact O-N 3.05Å; Y2327-N2329 PolarHBondContact O-N 2.75Å |
| 2328 | N | 94 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -78.2 | 123 | -179.2 | -172.6 | 68.6 | 0 | 0 | 0 | 113.2 | P2292 V2293 V2323 S2324 H2325 E2326 Y2330 S2333 | P2292-N2328 HydrophobicContact CB-CB 4.05Å; V2293-N2328 PolarHBondContact N-OD1 2.86Å; V2293-N2328 PolarHBondContact O-OD1 2.85Å; V2323-N2328 HydrophobicContact CG1-CB 4.5Å; V2323-N2328 WeakPolarHBondContact CG1-OD1 3.07Å; S2324-N2328 WeakPolarHBondContact O-CB 3.5Å; H2325-N2328 WeakPolarHBondContact O-CB 3.23Å; H2325-N2328 PolarHBondContact O-N 2.79Å; E2326-N2328 PolarHBondContact O-N 2.81Å; N2328-Y2330 HydrophobicContact CB-CE2 4.41Å; N2328-Y2330 PolarHBondContact ND2-N 2.92Å; N2328-Y2330 VanDerWaalsContact O-CD2 3.32Å; N2328-Y2330 WeakPolarHBondContact O-CD2 3.06Å; N2328-Y2330 PolarHBondContact O-N 2.87Å; N2328-S2333 PolarHBondContact ND2-OG 2.8Å; N2328-S2333 PolarHBondContact OD1-OG 3.29Å | ||
| 2329 | N | 95.4 | Very high | 94.5 | Very high | 19 Ų | 19 | 19.8 Ų | 19.8 | 10% | 0.102 | 8% | 0.083 | C | C | . | . | trans | -81.1 | 88.1 | 166.4 | -77.6 | -22.8 | 0 | 0 | 0 | 109.7 | V2293 E2295 Y2327 H2331 Q2332 S2333 S2602 | V2293-N2329 WeakPolarHBondContact O-CB 3.15Å; V2293-N2329 PolarHBondContact O-N 2.94Å; E2295-N2329 PolarHBondContact N-ND2 2.85Å; E2295-N2329 PolarHBondContact OE1-ND2 3.43Å; Y2327-N2329 PolarHBondContact O-N 2.75Å; N2329-H2331 PolarHBondContact O-N 2.82Å; N2329-Q2332 HydrophobicContact CB-CB 4.26Å; N2329-Q2332 HydrophobicContact CB-CG 3.84Å; N2329-Q2332 PolarHBondContact ND2-NE2 2.85Å; N2329-Q2332 PolarHBondContact ND2-OE1 3.32Å; N2329-Q2332 WeakPolarHBondContact O-CA 3.49Å; N2329-Q2332 WeakPolarHBondContact O-CB 3.48Å; N2329-Q2332 PolarHBondContact O-N 2.97Å; N2329-S2333 PolarHBondContact O-N 3.18Å; N2329-S2602 CarbonylContact C-O 3.43Å; N2329-S2602 WeakPolarHBondContact CB-OG 3.03Å; N2329-S2602 PolarHBondContact OD1-OG 2.94Å | ||
| 2330 | Y | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -50.7 | -29.9 | 178 | -71.9 | -90.3 | 0 | 0 | 0 | 114.4 | H2325 N2328 Q2332 S2333 Q2334 M2368 L2371 L2372 L2375 S2376 L2601 S2602 | H2325-Y2330 AromaticContact CE1-CE2 3.7Å; H2325-Y2330 PolarHBondContact CE1-OH 2.78Å; H2325-Y2330 AromaticContact ND1-CE2 3.64Å; H2325-Y2330 AromaticContact ND1-CZ 3.77Å; H2325-Y2330 PolarHBondContact ND1-OH 3.07Å; N2328-Y2330 HydrophobicContact CB-CE2 4.41Å; N2328-Y2330 PolarHBondContact ND2-N 2.92Å; N2328-Y2330 VanDerWaalsContact O-CD2 3.32Å; N2328-Y2330 WeakPolarHBondContact O-CD2 3.06Å; N2328-Y2330 PolarHBondContact O-N 2.87Å; Y2330-Q2332 PolarHBondContact O-N 3.05Å; Y2330-S2333 PolarHBondContact O-N 2.87Å; Y2330-Q2334 WeakPolarHBondContact O-CB 3.23Å; Y2330-Q2334 PolarHBondContact O-N 2.72Å; Y2330-M2368 HydrophobicContact CE1-CE 4.32Å; Y2330-L2371 HydrophobicContact CE1-CB 4.1Å; Y2330-L2372 HydrophobicContact CD1-CD2 4.44Å; Y2330-L2372 HydrophobicContact CE1-CD2 4.32Å; Y2330-L2375 WeakPolarHBondContact CB-O 3.16Å; Y2330-L2375 HydrophobicContact CD1-CB 3.51Å; Y2330-L2375 HydrophobicContact CD1-CD1 4.31Å; Y2330-L2375 HydrophobicContact CD2-CB 4.16Å; Y2330-L2375 HydrophobicContact CD2-CD1 4.05Å; Y2330-L2375 HydrophobicContact CE1-CB 4.03Å; Y2330-L2375 HydrophobicContact CE1-CD1 4.11Å; Y2330-L2375 HydrophobicContact CE2-CD1 3.84Å; Y2330-L2375 HydrophobicContact CG-CB 3.58Å; Y2330-L2375 HydrophobicContact CG-CD1 4.28Å; Y2330-S2376 VanDerWaalsContact C-OG 3.28Å; Y2330-S2376 VanDerWaalsContact CA-OG 3.25Å; Y2330-S2376 WeakPolarHBondContact CA-OG 3.46Å; Y2330-S2376 VanDerWaalsContact CB-OG 3.24Å; Y2330-S2376 WeakPolarHBondContact CB-OG 3.32Å; Y2330-S2376 VanDerWaalsContact CD1-OG 3.3Å; Y2330-S2376 WeakPolarHBondContact CD1-OG 3.39Å; Y2330-S2376 WeakPolarHBondContact O-CB 3.2Å; Y2330-S2376 PolarHBondContact O-OG 3.3Å; Y2330-L2601 HydrophobicContact CD2-CB 4.42Å; Y2330-L2601 HydrophobicContact CD2-CD1 4.39Å; Y2330-S2602 WeakPolarHBondContact CA-O 3.4Å; Y2330-S2602 WeakPolarHBondContact CB-O 3.32Å; Y2330-S2602 PolarHBondContact N-O 2.89Å |
| 2331 | H | 95 | Very high | 94.1 | Very high | 22 Ų | 22 | 21.3 Ų | 21.3 | 10% | 0.102 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.2 | -18.9 | 173.9 | 84.9 | -93.3 | 0 | 0 | 0 | 114.1 | E2295 N2329 W2335 P2584 S2602 | E2295-H2331 IonicContact OE1-CE1 2.62Å; N2329-H2331 PolarHBondContact O-N 2.82Å; H2331-W2335 PolarHBondContact O-N 2.04Å; H2331-P2584 HydrophobicContact CB-CB 3.8Å; H2331-S2602 PolarHBondContact CE1-OG 3.01Å; H2331-S2602 VanDerWaalsContact CE1-OG 3.32Å; H2331-S2602 PolarHBondContact N-O 3.02Å; H2331-S2602 VanDerWaalsContact N-O 3.09Å; H2331-S2602 PolarHBondContact ND1-OG 3.25Å |
| 2332 | Q | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -95.6 | -38 | 180 | -57.3 | 178.8 | -10.5 | 0 | 0 | 111.2 | V2293 N2294 E2295 I2298 N2329 Y2330 Q2334 W2335 L2336 | V2293-Q2332 HydrophobicContact CB-CB 4.49Å; V2293-Q2332 HydrophobicContact CG1-CB 3.63Å; N2294-Q2332 PolarHBondContact O-OE1 3.27Å; E2295-Q2332 PolarHBondContact OE1-NE2 3.16Å; E2295-Q2332 PolarHBondContact OE2-NE2 3.32Å; I2298-Q2332 HydrophobicContact CD1-CB 4.01Å; I2298-Q2332 HydrophobicContact CG1-CB 4.07Å; I2298-Q2332 HydrophobicContact CG1-CG 4.2Å; N2329-Q2332 HydrophobicContact CB-CB 4.26Å; N2329-Q2332 HydrophobicContact CB-CG 3.84Å; N2329-Q2332 PolarHBondContact ND2-NE2 2.85Å; N2329-Q2332 PolarHBondContact ND2-OE1 3.32Å; N2329-Q2332 WeakPolarHBondContact O-CA 3.49Å; N2329-Q2332 WeakPolarHBondContact O-CB 3.48Å; N2329-Q2332 PolarHBondContact O-N 2.97Å; Y2330-Q2332 PolarHBondContact O-N 3.05Å; Q2332-Q2334 PolarHBondContact O-N 3Å; Q2332-W2335 WeakPolarHBondContact O-CB 3.04Å; Q2332-W2335 PolarHBondContact O-N 3.3Å; Q2332-L2336 PolarHBondContact O-N 2.81Å |
| 2333 | S | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.9 | -37.4 | 165.1 | -28.4 | 0 | 0 | 0 | 0 | 110.7 | N2328 N2329 Y2330 L2336 Y2337 | N2328-S2333 PolarHBondContact ND2-OG 2.8Å; N2328-S2333 PolarHBondContact OD1-OG 3.29Å; N2329-S2333 PolarHBondContact O-N 3.18Å; Y2330-S2333 PolarHBondContact O-N 2.87Å; S2333-L2336 PolarHBondContact O-N 3.16Å; S2333-Y2337 PolarHBondContact O-N 3.11Å |
| 2334 | Q | 95.6 | Very high | 94.1 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.033 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 170.7 | -178.2 | 173.7 | -7.5 | 0 | 0 | 112.4 | Y2330 Q2332 Y2337 W2338 S2376 A2578 E2579 P2580 | Y2330-Q2334 WeakPolarHBondContact O-CB 3.23Å; Y2330-Q2334 PolarHBondContact O-N 2.72Å; Q2332-Q2334 PolarHBondContact O-N 3Å; Q2334-Y2337 PolarHBondContact O-N 2.84Å; Q2334-W2338 WeakPolarHBondContact O-CB 3.18Å; Q2334-W2338 PolarHBondContact O-N 2.91Å; Q2334-S2376 VanDerWaalsContact CB-O 3.24Å; Q2334-S2376 WeakPolarHBondContact CB-O 3.49Å; Q2334-S2376 WeakPolarHBondContact CG-O 3.33Å; Q2334-A2578 WeakPolarHBondContact CG-O 3.5Å; Q2334-A2578 PolarHBondContact NE2-O 2.91Å; Q2334-E2579 PolarHBondContact NE2-O 2.87Å; Q2334-E2579 VanDerWaalsContact NE2-O 3.11Å; Q2334-P2580 HydrophobicContact CG-CG 4.23Å |
| 2335 | W | 93.7 | Very high | 94.3 | Very high | 46 Ų | 46 | 21.8 Ų | 21.8 | 17% | 0.174 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.7 | -176.8 | 93 | 0 | 0 | 0 | 112.5 | I2298 R2302 H2331 Q2332 W2338 K2339 P2580 | I2298-W2335 HydrophobicContact CD1-CE3 4.08Å; I2298-W2335 HydrophobicContact CD1-CZ3 4.49Å; R2302-W2335 HydrophobicContact CB-CH2 4.32Å; R2302-W2335 HydrophobicContact CG-CH2 3.6Å; R2302-W2335 HydrophobicContact CG-CZ2 4Å; R2302-W2335 HydrophobicContact CG-CZ3 3.87Å; H2331-W2335 PolarHBondContact O-N 2.04Å; Q2332-W2335 WeakPolarHBondContact O-CB 3.04Å; Q2332-W2335 PolarHBondContact O-N 3.3Å; W2335-W2338 PolarHBondContact O-N 3.15Å; W2335-K2339 HydrophobicContact CD2-CG 4.04Å; W2335-K2339 HydrophobicContact CE3-CG 4.13Å; W2335-K2339 HydrophobicContact CH2-CG 3.83Å; W2335-K2339 HydrophobicContact CZ2-CD 4.24Å; W2335-K2339 HydrophobicContact CZ2-CG 3.75Å; W2335-K2339 HydrophobicContact CZ3-CG 4.03Å; W2335-K2339 WeakPolarHBondContact O-CB 3.45Å; W2335-K2339 WeakPolarHBondContact O-CG 3.46Å; W2335-K2339 PolarHBondContact O-N 3.25Å; W2335-P2580 HydrophobicContact CB-CG 3.77Å; W2335-P2580 HydrophobicContact CG-CG 4.3Å |
| 2336 | L | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 174.9 | -66.2 | 169.1 | 0 | 0 | 0 | 111.5 | V2293 I2298 Y2301 F2321 Q2332 S2333 K2339 G2340 H2341 I2343 | V2293-L2336 HydrophobicContact CG1-CD1 3.93Å; V2293-L2336 HydrophobicContact CG2-CD1 3.84Å; I2298-L2336 HydrophobicContact CD1-CG 4.44Å; Y2301-L2336 HydrophobicContact CD2-CD1 4.46Å; F2321-L2336 HydrophobicContact CD1-CD1 3.87Å; F2321-L2336 HydrophobicContact CD2-CB 4.43Å; F2321-L2336 HydrophobicContact CD2-CD1 4.04Å; F2321-L2336 HydrophobicContact CE1-CD1 3.81Å; F2321-L2336 HydrophobicContact CE1-CD2 4.39Å; F2321-L2336 HydrophobicContact CE2-CB 4.35Å; F2321-L2336 HydrophobicContact CE2-CD1 3.96Å; F2321-L2336 HydrophobicContact CE2-CD2 3.79Å; F2321-L2336 HydrophobicContact CE2-CG 4.25Å; F2321-L2336 HydrophobicContact CG-CD1 3.99Å; F2321-L2336 HydrophobicContact CZ-CD1 3.85Å; F2321-L2336 HydrophobicContact CZ-CD2 3.68Å; F2321-L2336 HydrophobicContact CZ-CG 4.34Å; Q2332-L2336 PolarHBondContact O-N 2.81Å; S2333-L2336 PolarHBondContact O-N 3.16Å; L2336-K2339 PolarHBondContact O-N 2.99Å; L2336-G2340 PolarHBondContact O-N 3.34Å; L2336-H2341 WeakPolarHBondContact O-CB 2.98Å; L2336-H2341 PolarHBondContact O-CD2 2.83Å; L2336-H2341 PolarHBondContact O-N 3.21Å; L2336-H2341 VanDerWaalsContact O-N 3.15Å; L2336-I2343 HydrophobicContact CB-CD1 4.12Å |
| 2337 | Y | 95.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 2% | 0.02 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 173.1 | -174.6 | -106.3 | 0 | 0 | 0 | 112.2 | S2333 Q2334 K2339 G2340 I2343 V2378 N2379 T2382 R2575 A2578 | S2333-Y2337 PolarHBondContact O-N 3.11Å; Q2334-Y2337 PolarHBondContact O-N 2.84Å; Y2337-K2339 VanDerWaalsContact C-N 3.33Å; Y2337-K2339 PolarHBondContact O-N 3.01Å; Y2337-G2340 PolarHBondContact O-N 3.31Å; Y2337-I2343 HydrophobicContact CD2-CG1 3.96Å; Y2337-I2343 HydrophobicContact CG-CG1 4.48Å; Y2337-V2378 HydrophobicContact CD1-CG2 4.27Å; Y2337-V2378 HydrophobicContact CD2-CB 4.38Å; Y2337-V2378 HydrophobicContact CD2-CG1 3.87Å; Y2337-V2378 HydrophobicContact CD2-CG2 4.09Å; Y2337-V2378 HydrophobicContact CE2-CG1 3.86Å; Y2337-V2378 HydrophobicContact CG-CB 4.46Å; Y2337-V2378 HydrophobicContact CG-CG1 4.42Å; Y2337-V2378 HydrophobicContact CG-CG2 3.84Å; Y2337-N2379 WeakPolarHBondContact OH-CB 3.26Å; Y2337-N2379 PolarHBondContact OH-N 3.12Å; Y2337-T2382 WeakPolarHBondContact CE2-OG1 3.37Å; Y2337-T2382 PolarHBondContact OH-OG1 2.97Å; Y2337-R2575 HydrophobicContact CE1-CB 4.45Å; Y2337-R2575 VanDerWaalsContact CZ-CD 3.46Å; Y2337-R2575 WeakPolarHBondContact O-CD 3.41Å; Y2337-R2575 PolarHBondContact O-NH1 3.24Å; Y2337-A2578 HydrophobicContact CD1-CB 3.6Å; Y2337-A2578 HydrophobicContact CE1-CB 3.88Å |
| 2338 | W | 92.5 | Very high | 95.1 | Very high | 42 Ų | 42 | 13.6 Ų | 13.6 | 16% | 0.159 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.5 | -36.3 | 176.5 | 178.4 | 79.2 | 0 | 0 | 0 | 113.2 | Q2334 W2335 G2340 H2574 R2575 E2579 P2580 | Q2334-W2338 WeakPolarHBondContact O-CB 3.18Å; Q2334-W2338 PolarHBondContact O-N 2.91Å; W2335-W2338 PolarHBondContact O-N 3.15Å; W2338-G2340 PolarHBondContact O-N 3.39Å; W2338-H2574 HydrophobicContact CD2-CB 4.2Å; W2338-H2574 AromaticContact CE2-CG 3.79Å; W2338-H2574 AromaticContact CH2-CD2 3.5Å; W2338-H2574 AromaticContact CH2-NE2 3.78Å; W2338-H2574 HydrophobicContact CZ2-CB 3.92Å; W2338-H2574 AromaticContact CZ2-CD2 3.46Å; W2338-H2574 VanDerWaalsContact CZ2-CD2 3.46Å; W2338-H2574 WeakPolarHBondContact CZ2-CD2 3.43Å; W2338-H2574 AromaticContact CZ2-CG 3.74Å; W2338-H2574 WeakPolarHBondContact O-CA 3.3Å; W2338-H2574 PolarHBondContact O-ND1 2.93Å; W2338-R2575 VanDerWaalsContact CD1-O 3.29Å; W2338-R2575 PolarHBondContact O-N 3.1Å; W2338-E2579 HydrophobicContact CZ2-CG 4.32Å; W2338-P2580 HydrophobicContact CB-CG 4.45Å |
| 2339 | K | 90.6 | Very high | 95 | Very high | 80 Ų | 80 | 14.2 Ų | 14.2 | 35% | 0.348 | 7% | 0.07 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -7.6 | 171.4 | -75 | -53.3 | -166.2 | -175.8 | 0 | 114.5 | W2335 L2336 Y2337 H2574 | W2335-K2339 HydrophobicContact CD2-CG 4.04Å; W2335-K2339 HydrophobicContact CE3-CG 4.13Å; W2335-K2339 HydrophobicContact CH2-CG 3.83Å; W2335-K2339 HydrophobicContact CZ2-CD 4.24Å; W2335-K2339 HydrophobicContact CZ2-CG 3.75Å; W2335-K2339 HydrophobicContact CZ3-CG 4.03Å; W2335-K2339 WeakPolarHBondContact O-CB 3.45Å; W2335-K2339 WeakPolarHBondContact O-CG 3.46Å; W2335-K2339 PolarHBondContact O-N 3.25Å; L2336-K2339 PolarHBondContact O-N 2.99Å; Y2337-K2339 VanDerWaalsContact C-N 3.33Å; Y2337-K2339 PolarHBondContact O-N 3.01Å; K2339-H2574 WeakPolarHBondContact CD-CE1 3.49Å; K2339-H2574 PolarHBondContact NZ-CE1 2.88Å; K2339-H2574 VanDerWaalsContact NZ-CE1 3.29Å; K2339-H2574 PolarHBondContact NZ-NE2 2.9Å; K2339-H2574 VanDerWaalsContact NZ-NE2 3.13Å |
| 2340 | G | 90.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 16.3 Ų | 16.3 | 24% | 0.237 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 10.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L2336 Y2337 W2338 | L2336-G2340 PolarHBondContact O-N 3.34Å; Y2337-G2340 PolarHBondContact O-N 3.31Å; W2338-G2340 PolarHBondContact O-N 3.39Å |
| 2341 | H | 95 | Very high | 94.4 | Very high | 10 Ų | 10 | 22.2 Ų | 22.2 | 5% | 0.046 | 11% | 0.106 | C | C | . | . | trans | -71.3 | 164.6 | 174 | -61 | -94.8 | 0 | 0 | 0 | 111.5 | S2319 F2321 L2336 R2575 | S2319-H2341 PolarHBondContact N-ND1 3.31Å; S2319-H2341 PolarHBondContact OG-ND1 3.37Å; F2321-H2341 HydrophobicContact CD2-CB 4.06Å; F2321-H2341 HydrophobicContact CE2-CB 3.91Å; F2321-H2341 AromaticContact CE2-CG 3.91Å; F2321-H2341 AromaticContact CE2-ND1 3.91Å; L2336-H2341 WeakPolarHBondContact O-CB 2.98Å; L2336-H2341 PolarHBondContact O-CD2 2.83Å; L2336-H2341 PolarHBondContact O-N 3.21Å; L2336-H2341 VanDerWaalsContact O-N 3.15Å; H2341-R2575 PolarHBondContact O-NH1 2.66Å | ||
| 2342 | E | 96.4 | Very high | 94.1 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 7% | 0.065 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 137.3 | 172.5 | -178.8 | 169 | -153 | 0 | 0 | 110.3 | S2319 T2320 F2321 Y2409 T2545 I2546 A2547 | S2319-E2342 PolarHBondContact O-N 2.89Å; T2320-E2342 WeakPolarHBondContact CA-O 3.08Å; T2320-E2342 HydrophobicContact CG2-CB 4.13Å; T2320-E2342 HydrophobicContact CG2-CG 3.91Å; F2321-E2342 PolarHBondContact N-O 2.95Å; E2342-Y2409 WeakPolarHBondContact OE1-CE1 3.49Å; E2342-Y2409 PolarHBondContact OE1-OH 2.63Å; E2342-T2545 HydrophobicContact CB-CG2 3.78Å; E2342-T2545 WeakPolarHBondContact OE2-CB 3.31Å; E2342-T2545 PolarHBondContact OE2-OG1 3.02Å; E2342-I2546 PolarHBondContact OE2-N 2.04Å; E2342-I2546 VanDerWaalsContact OE2-N 3.1Å; E2342-A2547 WeakPolarHBondContact OE1-CB 3.11Å; E2342-A2547 PolarHBondContact OE2-N 2.04Å |
| 2343 | I | 97.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.1 | 177.5 | -52 | -62.6 | 0 | 0 | 0 | 108.4 | F2321 V2323 L2336 Y2337 L2372 V2378 | F2321-I2343 HydrophobicContact CB-CD1 4.12Å; F2321-I2343 HydrophobicContact CD2-CD1 4.37Å; V2323-I2343 HydrophobicContact CG2-CG2 4.08Å; L2336-I2343 HydrophobicContact CB-CD1 4.12Å; Y2337-I2343 HydrophobicContact CD2-CG1 3.96Å; Y2337-I2343 HydrophobicContact CG-CG1 4.48Å; I2343-L2372 HydrophobicContact CG2-CD1 3.95Å; I2343-L2372 HydrophobicContact CG2-CD2 4.22Å; I2343-V2378 HydrophobicContact CB-CG1 4.15Å; I2343-V2378 HydrophobicContact CG1-CG1 4.49Å; I2343-V2378 HydrophobicContact CG1-CG2 4.42Å; I2343-V2378 HydrophobicContact CG2-CG1 4.32Å |
| 2344 | A | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 173 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T2320 F2321 F2322 V2323 G2385 | T2320-A2344 HydrophobicContact CG2-CB 4.4Å; F2321-A2344 PolarHBondContact O-N 3.35Å; F2322-A2344 HydrophobicContact CD1-CB 3.41Å; F2322-A2344 VanDerWaalsContact CD1-CB 3.41Å; F2322-A2344 HydrophobicContact CE1-CB 3.51Å; F2322-A2344 HydrophobicContact CG-CB 4.11Å; F2322-A2344 HydrophobicContact CZ-CB 4.27Å; V2323-A2344 PolarHBondContact N-O 3.48Å; A2344-G2385 WeakPolarHBondContact CB-O 3.42Å |
| 2345 | V | 98.4 | Very high | 93 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 142.9 | -175.7 | -64.2 | 0 | 0 | 0 | 0 | 113.6 | M2365 M2368 R2369 L2372 V2383 G2385 V2386 R2387 F2407 | V2345-M2365 HydrophobicContact CB-SD 4.45Å; V2345-M2365 HydrophobicContact CG2-CB 4.2Å; V2345-M2365 HydrophobicContact CG2-SD 3.88Å; V2345-M2368 HydrophobicContact CB-CB 4.26Å; V2345-M2368 HydrophobicContact CB-CG 4.29Å; V2345-M2368 HydrophobicContact CG1-CB 3.92Å; V2345-M2368 HydrophobicContact CG1-CG 3.92Å; V2345-R2369 HydrophobicContact CG1-CB 4.26Å; V2345-L2372 HydrophobicContact CG1-CD1 3.97Å; V2345-V2383 HydrophobicContact CG1-CG1 3.76Å; V2345-G2385 PolarHBondContact N-O 3.29Å; V2345-V2386 HydrophobicContact CG2-CG2 4.01Å; V2345-R2387 PolarHBondContact O-N 2.99Å; V2345-F2407 HydrophobicContact CG2-CE1 3.81Å; V2345-F2407 HydrophobicContact CG2-CZ 4.12Å |
| 2346 | N | 96 | Very high | 92.7 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -131.1 | 63.3 | 167.3 | 179.5 | 30.5 | 0 | 0 | 0 | 110 | F2322 V2323 S2324 H2350 R2387 P2389 | F2322-N2346 HydrophobicContact CB-CB 4.14Å; V2323-N2346 PolarHBondContact O-N 3.22Å; S2324-N2346 WeakPolarHBondContact CB-O 3.45Å; S2324-N2346 WeakPolarHBondContact OG-CB 3.38Å; S2324-N2346 PolarHBondContact OG-ND2 3.04Å; S2324-N2346 VanDerWaalsContact OG-ND2 3.12Å; S2324-N2346 PolarHBondContact OG-O 3.07Å; N2346-H2350 PolarHBondContact ND2-NE2 2.92Å; N2346-R2387 PolarHBondContact OD1-O 2.86Å; N2346-P2389 VanDerWaalsContact OD1-CA 3.26Å; N2346-P2389 WeakPolarHBondContact OD1-CA 3.04Å | ||
| 2347 | S | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 56.3 | 178.9 | -177.3 | 74.1 | 0 | 0 | 0 | 0 | 115.7 | S2324 H2350 E2364 M2365 M2368 | S2324-S2347 WeakPolarHBondContact CA-O 3.44Å; S2347-H2350 WeakPolarHBondContact OG-CA 3.1Å; S2347-H2350 PolarHBondContact OG-N 3.34Å; S2347-E2364 WeakPolarHBondContact CB-OE2 3.44Å; S2347-M2365 PolarHBondContact N-SD 3.32Å; S2347-M2365 VanDerWaalsContact N-SD 3.35Å; S2347-M2368 WeakPolarHBondContact O-CG 3.48Å | ||
| 2348 | I | 95.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -87.5 | -47.9 | 167.1 | -69.6 | 176.6 | 0 | 0 | 0 | 109.3 | H2325 E2364 M2368 L2371 W2613 V2614 | H2325-I2348 HydrophobicContact CB-CB 4.31Å; H2325-I2348 HydrophobicContact CB-CG2 3.82Å; H2325-I2348 WeakPolarHBondContact CB-O 3.22Å; H2325-I2348 PolarHBondContact N-O 2.94Å; I2348-E2364 WeakPolarHBondContact CA-OE2 2.88Å; I2348-E2364 WeakPolarHBondContact CB-OE2 3.5Å; I2348-E2364 PolarHBondContact N-OE2 3.17Å; I2348-M2368 HydrophobicContact CG1-CB 3.92Å; I2348-M2368 HydrophobicContact CG1-SD 4.39Å; I2348-L2371 HydrophobicContact CD1-CD1 3.85Å; I2348-L2371 HydrophobicContact CG1-CD1 4.03Å; I2348-W2613 HydrophobicContact CG2-CD2 4.36Å; I2348-W2613 HydrophobicContact CG2-CE3 3.95Å; I2348-W2613 HydrophobicContact CG2-CZ3 4.26Å; I2348-V2614 HydrophobicContact CB-CG2 3.95Å; I2348-V2614 HydrophobicContact CD1-CG2 3.93Å; I2348-V2614 HydrophobicContact CG1-CG2 4.44Å; I2348-V2614 HydrophobicContact CG2-CG2 4.14Å |
| 2349 | T | 91.1 | Very high | 91.4 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -88.3 | -21.6 | -166.8 | 60.2 | 0 | 0 | 0 | 0 | 115.3 | E2351 E2364 W2613 V2614 | T2349-E2351 PolarHBondContact O-N 3.23Å; T2349-E2351 PolarHBondContact OG1-N 3.24Å; T2349-E2364 WeakPolarHBondContact CB-OE1 3.09Å; T2349-E2364 WeakPolarHBondContact CG2-OE1 2.91Å; T2349-E2364 PolarHBondContact N-OE2 3.42Å; T2349-E2364 VanDerWaalsContact N-OE2 3.07Å; T2349-E2364 VanDerWaalsContact OG1-CD 3.26Å; T2349-E2364 PolarHBondContact OG1-OE1 2.86Å; T2349-E2364 PolarHBondContact OG1-OE2 3.33Å; T2349-W2613 HydrophobicContact CG2-CD2 4.49Å; T2349-W2613 HydrophobicContact CG2-CH2 4.33Å; T2349-W2613 HydrophobicContact CG2-CZ2 3.65Å; T2349-V2614 HydrophobicContact CG2-CB 4.32Å; T2349-V2614 HydrophobicContact CG2-CG2 4.05Å |
| 2350 | H | 90 | Very high | 91.3 | Very high | 63 Ų | 63 | 35 Ų | 35 | 29% | 0.292 | 19% | 0.186 | S | C | . | . | trans | 61.3 | 8.4 | -166.1 | -138.4 | -57.2 | 0 | 0 | 0 | 113.6 | D2291 S2324 N2346 S2347 Q2390 | D2291-H2350 IonicContact OD1-CD2 2.64Å; D2291-H2350 IonicContact OD1-CE1 3.43Å; D2291-H2350 IonicContact OD1-NE2 2.69Å; D2291-H2350 PolarHBondContact OD1-NE2 2.79Å; S2324-H2350 PolarHBondContact OG-CD2 3.04Å; N2346-H2350 PolarHBondContact ND2-NE2 2.92Å; S2347-H2350 WeakPolarHBondContact OG-CA 3.1Å; S2347-H2350 PolarHBondContact OG-N 3.34Å; H2350-Q2390 PolarHBondContact O-NE2 3.31Å | ||
| 2351 | E | 89.3 | Confident | 91.5 | Very high | 124 Ų | 124 | 33.9 Ų | 33.9 | 58% | 0.579 | 17% | 0.174 | S | C | * | . | trans | -75.1 | 147.3 | 172 | -67.2 | -177 | -155.5 | 0 | 0 | 110.6 | T2349 P2389 | T2349-E2351 PolarHBondContact O-N 3.23Å; T2349-E2351 PolarHBondContact OG1-N 3.24Å; E2351-P2389 WeakPolarHBondContact O-CB 3.33Å; E2351-P2389 WeakPolarHBondContact O-CG 3.01Å | ||
| 2352 | T | 90.2 | Very high | 91.4 | Very high | 64 Ų | 64 | 34 Ų | 34 | 39% | 0.393 | 18% | 0.176 | S | C | . | . | trans | -68.4 | 134.4 | -178.6 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | S2354 A2392 | T2352-S2354 PolarHBondContact OG1-OG 2.86Å; T2352-A2392 WeakPolarHBondContact OG1-CB 3.04Å | ||
| 2353 | L | 90.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | trans | -112.4 | 4.4 | -175.6 | -54.1 | 179.5 | 0 | 0 | 0 | 113.4 | E2355 S2356 E2360 W2361 E2364 M2365 P2389 | L2353-E2355 VanDerWaalsContact C-N 3.3Å; L2353-E2355 PolarHBondContact O-N 2.03Å; L2353-S2356 WeakPolarHBondContact O-CB 3.45Å; L2353-S2356 PolarHBondContact O-N 3.22Å; L2353-E2360 HydrophobicContact CD2-CG 4.3Å; L2353-W2361 HydrophobicContact CB-CD2 4.12Å; L2353-W2361 VanDerWaalsContact CB-CE2 3.48Å; L2353-W2361 HydrophobicContact CB-CH2 4.13Å; L2353-W2361 HydrophobicContact CB-CZ2 3.48Å; L2353-W2361 VanDerWaalsContact CB-CZ2 3.48Å; L2353-W2361 HydrophobicContact CD1-CD2 4.23Å; L2353-W2361 HydrophobicContact CD1-CE3 4.29Å; L2353-W2361 WeakPolarHBondContact O-CZ2 3.42Å; L2353-W2361 PolarHBondContact O-NE1 2.81Å; L2353-E2364 HydrophobicContact CD1-CB 3.72Å; L2353-E2364 HydrophobicContact CD1-CG 3.71Å; L2353-E2364 HydrophobicContact CD2-CG 3.94Å; L2353-E2364 HydrophobicContact CG-CG 4.47Å; L2353-M2365 HydrophobicContact CD1-CE 4.25Å; L2353-P2389 HydrophobicContact CD1-CG 4.13Å; L2353-P2389 HydrophobicContact CG-CG 3.88Å | ||
| 2354 | S | 88.4 | Confident | 91.1 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 18% | 0.175 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -40.2 | -171.2 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | T2352 V2393 R2397 | T2352-S2354 PolarHBondContact OG1-OG 2.86Å; S2354-V2393 WeakPolarHBondContact CB-O 3.48Å; S2354-R2397 PolarHBondContact O-NH2 2.82Å |
| 2355 | E | 84.2 | Confident | 91 | Very high | 165 Ų | 165 | 36.2 Ų | 36.2 | 77% | 0.771 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -11.1 | 176.9 | -67.5 | -166 | -178.3 | 0 | 0 | 114.3 | L2353 R2397 | L2353-E2355 VanDerWaalsContact C-N 3.3Å; L2353-E2355 PolarHBondContact O-N 2.03Å; E2355-R2397 VanDerWaalsContact C-NH2 3.34Å; E2355-R2397 VanDerWaalsContact CA-NH2 3.31Å; E2355-R2397 VanDerWaalsContact O-CZ 3.27Å; E2355-R2397 PolarHBondContact O-NH1 2.92Å; E2355-R2397 PolarHBondContact O-NH2 2.86Å |
| 2356 | S | 85.8 | Confident | 90.8 | Very high | 19 Ų | 19 | 36.7 Ų | 36.7 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -76.8 | 149.3 | -168.3 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | L2353 R2397 | L2353-S2356 WeakPolarHBondContact O-CB 3.45Å; L2353-S2356 PolarHBondContact O-N 3.22Å; S2356-R2397 WeakPolarHBondContact O-CD 3.48Å; S2356-R2397 PolarHBondContact O-NE 3.22Å |
| 2357 | P | 85.3 | Confident | 90.8 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 23% | 0.234 | 19% | 0.194 | C | C | . | . | trans | -67.2 | 158.7 | 176.8 | 29.5 | -36.6 | 0 | 0 | 0 | 112.5 | P2232 I2359 E2360 W2361 | P2232-P2357 HydrophobicContact CG-CB 3.73Å; P2357-I2359 HydrophobicContact CB-CG2 4.24Å; P2357-I2359 HydrophobicContact CG-CG2 4Å; P2357-I2359 PolarHBondContact O-N 3.05Å; P2357-I2359 VanDerWaalsContact O-N 3.08Å; P2357-E2360 WeakPolarHBondContact CD-OE2 3.45Å; P2357-E2360 HydrophobicContact CG-CB 4.33Å; P2357-E2360 VanDerWaalsContact O-CB 3.31Å; P2357-E2360 WeakPolarHBondContact O-CB 3.43Å; P2357-E2360 PolarHBondContact O-N 2.67Å; P2357-W2361 PolarHBondContact O-N 2.89Å | ||
| 2358 | M | 84.2 | Confident | 90.8 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.6 | -34.4 | -177.9 | -171.7 | -163.2 | -61.6 | 0 | 0 | 113.5 | P2231 E2360 W2361 V2362 A2400 M2401 | P2231-M2358 HydrophobicContact CB-CB 4.36Å; P2231-M2358 HydrophobicContact CB-CE 4.11Å; P2231-M2358 HydrophobicContact CG-CE 3.8Å; M2358-E2360 VanDerWaalsContact C-N 3.26Å; M2358-E2360 PolarHBondContact O-N 2.82Å; M2358-W2361 WeakPolarHBondContact O-CB 3.47Å; M2358-W2361 PolarHBondContact O-N 2.92Å; M2358-V2362 WeakPolarHBondContact O-CG2 2.99Å; M2358-V2362 PolarHBondContact O-N 3.18Å; M2358-V2362 VanDerWaalsContact O-N 3.13Å; M2358-A2400 HydrophobicContact CE-CB 3.64Å; M2358-M2401 HydrophobicContact CG-CB 3.94Å |
| 2359 | I | 86.4 | Confident | 90.9 | Very high | 94 Ų | 94 | 38 Ų | 38 | 48% | 0.482 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.8 | -36 | 178.8 | -171.3 | 60.9 | 0 | 0 | 0 | 112.1 | P2357 V2362 E2363 | P2357-I2359 HydrophobicContact CB-CG2 4.24Å; P2357-I2359 HydrophobicContact CG-CG2 4Å; P2357-I2359 PolarHBondContact O-N 3.05Å; P2357-I2359 VanDerWaalsContact O-N 3.08Å; I2359-V2362 WeakPolarHBondContact O-CB 3.28Å; I2359-V2362 PolarHBondContact O-N 2.9Å; I2359-E2363 WeakPolarHBondContact O-CG 3.39Å; I2359-E2363 PolarHBondContact O-N 2.73Å |
| 2360 | E | 89.6 | Confident | 91.1 | Very high | 40 Ų | 40 | 43 Ų | 43 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.1 | -42.2 | 179.1 | -158.8 | 142.9 | -168.9 | 0 | 0 | 111.1 | L2353 P2357 M2358 V2362 E2363 E2364 R2615 | L2353-E2360 HydrophobicContact CD2-CG 4.3Å; P2357-E2360 WeakPolarHBondContact CD-OE2 3.45Å; P2357-E2360 HydrophobicContact CG-CB 4.33Å; P2357-E2360 VanDerWaalsContact O-CB 3.31Å; P2357-E2360 WeakPolarHBondContact O-CB 3.43Å; P2357-E2360 PolarHBondContact O-N 2.67Å; M2358-E2360 VanDerWaalsContact C-N 3.26Å; M2358-E2360 PolarHBondContact O-N 2.82Å; E2360-V2362 PolarHBondContact O-N 2.82Å; E2360-E2363 PolarHBondContact O-N 3.26Å; E2360-E2364 WeakPolarHBondContact O-CB 3.18Å; E2360-E2364 VanDerWaalsContact O-CG 3.26Å; E2360-E2364 WeakPolarHBondContact O-CG 3.23Å; E2360-E2364 PolarHBondContact O-N 2.73Å; E2360-R2615 VanDerWaalsContact CG-NH2 3.28Å; E2360-R2615 IonicContact OE1-CZ 3.7Å; E2360-R2615 IonicContact OE1-NH1 3.74Å; E2360-R2615 PolarHBondContact OE1-NH1 2.04Å; E2360-R2615 IonicContact OE1-NH2 2.86Å; E2360-R2615 PolarHBondContact OE1-NH2 3.33Å; E2360-R2615 IonicContact OE2-CZ 3.57Å; E2360-R2615 IonicContact OE2-NH1 3.36Å; E2360-R2615 PolarHBondContact OE2-NH1 3.34Å; E2360-R2615 IonicContact OE2-NH2 3.95Å; E2360-R2615 PolarHBondContact OE2-NH2 2.93Å |
| 2361 | W | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.3 | -31.4 | 170.9 | -77.6 | 84.4 | 0 | 0 | 0 | 112.9 | L2353 P2357 M2358 M2365 A2388 Q2398 M2401 | L2353-W2361 HydrophobicContact CB-CD2 4.12Å; L2353-W2361 VanDerWaalsContact CB-CE2 3.48Å; L2353-W2361 HydrophobicContact CB-CH2 4.13Å; L2353-W2361 HydrophobicContact CB-CZ2 3.48Å; L2353-W2361 VanDerWaalsContact CB-CZ2 3.48Å; L2353-W2361 HydrophobicContact CD1-CD2 4.23Å; L2353-W2361 HydrophobicContact CD1-CE3 4.29Å; L2353-W2361 WeakPolarHBondContact O-CZ2 3.42Å; L2353-W2361 PolarHBondContact O-NE1 2.81Å; P2357-W2361 PolarHBondContact O-N 2.89Å; M2358-W2361 WeakPolarHBondContact O-CB 3.47Å; M2358-W2361 PolarHBondContact O-N 2.92Å; W2361-M2365 HydrophobicContact CE3-CE 4.18Å; W2361-M2365 HydrophobicContact CE3-CG 4.19Å; W2361-M2365 HydrophobicContact CZ3-CE 3.82Å; W2361-M2365 VanDerWaalsContact O-CB 3.29Å; W2361-M2365 WeakPolarHBondContact O-CB 3.22Å; W2361-M2365 WeakPolarHBondContact O-CG 3.45Å; W2361-M2365 PolarHBondContact O-N 3.03Å; W2361-A2388 HydrophobicContact CH2-CB 3.87Å; W2361-A2388 HydrophobicContact CZ3-CB 4.31Å; W2361-Q2398 HydrophobicContact CD2-CB 4.08Å; W2361-Q2398 HydrophobicContact CD2-CG 4.47Å; W2361-Q2398 HydrophobicContact CE3-CB 3.92Å; W2361-Q2398 HydrophobicContact CE3-CG 3.8Å; W2361-Q2398 HydrophobicContact CH2-CB 3.88Å; W2361-Q2398 HydrophobicContact CH2-CG 3.84Å; W2361-Q2398 VanDerWaalsContact CH2-OE1 3.28Å; W2361-Q2398 HydrophobicContact CZ2-CB 4.04Å; W2361-Q2398 HydrophobicContact CZ2-CG 4.5Å; W2361-Q2398 HydrophobicContact CZ3-CB 3.81Å; W2361-Q2398 VanDerWaalsContact CZ3-CD 3.46Å; W2361-Q2398 HydrophobicContact CZ3-CG 3.44Å; W2361-Q2398 VanDerWaalsContact CZ3-CG 3.44Å; W2361-M2401 HydrophobicContact CB-CB 4.11Å; W2361-M2401 HydrophobicContact CB-CE 4.15Å; W2361-M2401 HydrophobicContact CB-CG 3.97Å; W2361-M2401 HydrophobicContact CE3-CE 4.05Å |
| 2362 | V | 92 | Very high | 91.8 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -74.4 | -49.1 | 173.3 | 175 | 0 | 0 | 0 | 0 | 111.4 | M2358 I2359 E2360 E2364 D2366 G2367 M2401 Y2405 | M2358-V2362 WeakPolarHBondContact O-CG2 2.99Å; M2358-V2362 PolarHBondContact O-N 3.18Å; M2358-V2362 VanDerWaalsContact O-N 3.13Å; I2359-V2362 WeakPolarHBondContact O-CB 3.28Å; I2359-V2362 PolarHBondContact O-N 2.9Å; E2360-V2362 PolarHBondContact O-N 2.82Å; V2362-E2364 PolarHBondContact O-N 3Å; V2362-D2366 HydrophobicContact CG1-CB 4.37Å; V2362-D2366 WeakPolarHBondContact O-CB 3.44Å; V2362-D2366 PolarHBondContact O-N 3.06Å; V2362-G2367 PolarHBondContact O-N 3.3Å; V2362-G2367 VanDerWaalsContact O-N 3.16Å; V2362-M2401 HydrophobicContact CG2-CG 3.56Å; V2362-Y2405 HydrophobicContact CB-CE2 4.34Å; V2362-Y2405 HydrophobicContact CG1-CD1 4.41Å; V2362-Y2405 HydrophobicContact CG1-CE1 3.74Å; V2362-Y2405 HydrophobicContact CG1-CE2 4.06Å; V2362-Y2405 HydrophobicContact CG2-CD2 3.8Å; V2362-Y2405 HydrophobicContact CG2-CE1 4.45Å; V2362-Y2405 HydrophobicContact CG2-CE2 3.27Å |
| 2363 | E | 91.6 | Very high | 92 | Very high | 60 Ų | 60 | 35.6 Ų | 35.6 | 28% | 0.28 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -57.7 | -34.7 | 179.1 | -70.3 | 176 | 120.5 | 0 | 0 | 111.9 | I2359 E2360 G2367 V2614 R2615 | I2359-E2363 WeakPolarHBondContact O-CG 3.39Å; I2359-E2363 PolarHBondContact O-N 2.73Å; E2360-E2363 PolarHBondContact O-N 3.26Å; E2363-G2367 WeakPolarHBondContact O-CA 3.5Å; E2363-V2614 HydrophobicContact CB-CG1 4.12Å; E2363-R2615 WeakPolarHBondContact OE1-CG 3.32Å; E2363-R2615 IonicContact OE1-NE 2.78Å; E2363-R2615 IonicContact OE2-CZ 3.99Å; E2363-R2615 VanDerWaalsContact OE2-CZ 3.3Å; E2363-R2615 IonicContact OE2-NE 3.64Å; E2363-R2615 PolarHBondContact OE2-NE 3.47Å; E2363-R2615 IonicContact OE2-NH2 3.12Å; E2363-R2615 PolarHBondContact OE2-NH2 3.48Å |
| 2364 | E | 96.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -82.3 | -61.2 | 177.8 | -70 | -77.9 | -177 | 0 | 0 | 113.2 | S2347 I2348 T2349 L2353 E2360 V2362 M2368 V2614 | S2347-E2364 WeakPolarHBondContact CB-OE2 3.44Å; I2348-E2364 WeakPolarHBondContact CA-OE2 2.88Å; I2348-E2364 WeakPolarHBondContact CB-OE2 3.5Å; I2348-E2364 PolarHBondContact N-OE2 3.17Å; T2349-E2364 WeakPolarHBondContact CB-OE1 3.09Å; T2349-E2364 WeakPolarHBondContact CG2-OE1 2.91Å; T2349-E2364 PolarHBondContact N-OE2 3.42Å; T2349-E2364 VanDerWaalsContact N-OE2 3.07Å; T2349-E2364 VanDerWaalsContact OG1-CD 3.26Å; T2349-E2364 PolarHBondContact OG1-OE1 2.86Å; T2349-E2364 PolarHBondContact OG1-OE2 3.33Å; L2353-E2364 HydrophobicContact CD1-CB 3.72Å; L2353-E2364 HydrophobicContact CD1-CG 3.71Å; L2353-E2364 HydrophobicContact CD2-CG 3.94Å; L2353-E2364 HydrophobicContact CG-CG 4.47Å; E2360-E2364 WeakPolarHBondContact O-CB 3.18Å; E2360-E2364 VanDerWaalsContact O-CG 3.26Å; E2360-E2364 WeakPolarHBondContact O-CG 3.23Å; E2360-E2364 PolarHBondContact O-N 2.73Å; V2362-E2364 PolarHBondContact O-N 3Å; E2364-M2368 WeakPolarHBondContact O-CB 3.41Å; E2364-M2368 PolarHBondContact O-N 2.98Å; E2364-V2614 HydrophobicContact CG-CG2 4.25Å |
| 2365 | M | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -79.9 | -48.6 | -167.4 | -62 | -60.7 | -173.8 | 0 | 0 | 112.8 | V2345 S2347 L2353 W2361 G2367 M2368 R2369 V2386 R2387 M2401 F2407 | V2345-M2365 HydrophobicContact CB-SD 4.45Å; V2345-M2365 HydrophobicContact CG2-CB 4.2Å; V2345-M2365 HydrophobicContact CG2-SD 3.88Å; S2347-M2365 PolarHBondContact N-SD 3.32Å; S2347-M2365 VanDerWaalsContact N-SD 3.35Å; L2353-M2365 HydrophobicContact CD1-CE 4.25Å; W2361-M2365 HydrophobicContact CE3-CE 4.18Å; W2361-M2365 HydrophobicContact CE3-CG 4.19Å; W2361-M2365 HydrophobicContact CZ3-CE 3.82Å; W2361-M2365 VanDerWaalsContact O-CB 3.29Å; W2361-M2365 WeakPolarHBondContact O-CB 3.22Å; W2361-M2365 WeakPolarHBondContact O-CG 3.45Å; W2361-M2365 PolarHBondContact O-N 3.03Å; M2365-G2367 VanDerWaalsContact C-N 3.29Å; M2365-M2368 PolarHBondContact O-N 2.89Å; M2365-R2369 PolarHBondContact O-N 2.81Å; M2365-R2369 VanDerWaalsContact O-N 3.11Å; M2365-V2386 HydrophobicContact CE-CG1 3.82Å; M2365-V2386 HydrophobicContact CG-CG1 4.24Å; M2365-V2386 HydrophobicContact SD-CG1 3.92Å; M2365-R2387 WeakPolarHBondContact CE-O 3.33Å; M2365-M2401 HydrophobicContact CB-CE 3.71Å; M2365-M2401 HydrophobicContact CB-SD 4.42Å; M2365-M2401 HydrophobicContact CG-CE 3.76Å; M2365-F2407 HydrophobicContact CB-CE2 4.25Å; M2365-F2407 HydrophobicContact CB-CZ 4.24Å |
| 2366 | D | 95.5 | Very high | 93 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -73.9 | -26.4 | 174 | -174.5 | 51.3 | 0 | 0 | 0 | 111.2 | V2362 R2369 K2370 Y2405 F2407 | V2362-D2366 HydrophobicContact CG1-CB 4.37Å; V2362-D2366 WeakPolarHBondContact O-CB 3.44Å; V2362-D2366 PolarHBondContact O-N 3.06Å; D2366-R2369 IonicContact OD1-CZ 3.6Å; D2366-R2369 VanDerWaalsContact OD1-CZ 3.28Å; D2366-R2369 IonicContact OD1-NE 2.87Å; D2366-R2369 PolarHBondContact OD1-NE 3.14Å; D2366-R2369 IonicContact OD1-NH2 2.73Å; D2366-R2369 PolarHBondContact OD1-NH2 3.27Å; D2366-K2370 VanDerWaalsContact O-CD 3.31Å; D2366-K2370 WeakPolarHBondContact O-CD 3.49Å; D2366-K2370 VanDerWaalsContact O-CG 3.26Å; D2366-K2370 WeakPolarHBondContact O-CG 3.32Å; D2366-K2370 PolarHBondContact O-N 3.07Å; D2366-K2370 WeakPolarHBondContact OD2-CE 3.37Å; D2366-K2370 IonicContact OD2-NZ 3.28Å; D2366-K2370 PolarHBondContact OD2-NZ 2.85Å; D2366-Y2405 HydrophobicContact CB-CD1 4.05Å; D2366-Y2405 WeakPolarHBondContact OD2-CD1 3.47Å; D2366-F2407 HydrophobicContact CB-CE2 4.43Å |
| 2367 | G | 94.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 12% | 0.124 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.9 | -55.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V2362 E2363 M2365 R2369 K2370 L2371 | V2362-G2367 PolarHBondContact O-N 3.3Å; V2362-G2367 VanDerWaalsContact O-N 3.16Å; E2363-G2367 WeakPolarHBondContact O-CA 3.5Å; M2365-G2367 VanDerWaalsContact C-N 3.29Å; G2367-R2369 VanDerWaalsContact C-N 3.3Å; G2367-R2369 PolarHBondContact O-N 3.04Å; G2367-K2370 WeakPolarHBondContact O-CB 3.47Å; G2367-K2370 PolarHBondContact O-N 3.41Å; G2367-L2371 PolarHBondContact O-N 3.28Å |
| 2368 | M | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -38.1 | 179.7 | -171.9 | 54.7 | -175.7 | 0 | 0 | 112.1 | V2323 S2324 H2325 Y2330 V2345 S2347 I2348 E2364 M2365 K2370 L2371 L2372 | V2323-M2368 HydrophobicContact CB-CE 4.18Å; V2323-M2368 HydrophobicContact CG1-CE 3.73Å; S2324-M2368 WeakPolarHBondContact O-CE 3.47Å; H2325-M2368 HydrophobicContact CB-CE 4.45Å; H2325-M2368 HydrophobicContact CB-SD 3.92Å; Y2330-M2368 HydrophobicContact CE1-CE 4.32Å; V2345-M2368 HydrophobicContact CB-CB 4.26Å; V2345-M2368 HydrophobicContact CB-CG 4.29Å; V2345-M2368 HydrophobicContact CG1-CB 3.92Å; V2345-M2368 HydrophobicContact CG1-CG 3.92Å; S2347-M2368 WeakPolarHBondContact O-CG 3.48Å; I2348-M2368 HydrophobicContact CG1-CB 3.92Å; I2348-M2368 HydrophobicContact CG1-SD 4.39Å; E2364-M2368 WeakPolarHBondContact O-CB 3.41Å; E2364-M2368 PolarHBondContact O-N 2.98Å; M2365-M2368 PolarHBondContact O-N 2.89Å; M2368-K2370 VanDerWaalsContact C-N 3.31Å; M2368-K2370 PolarHBondContact O-N 3.06Å; M2368-L2371 PolarHBondContact O-N 3.43Å; M2368-L2371 VanDerWaalsContact O-N 3.15Å; M2368-L2371 HydrophobicContact SD-CB 4.3Å; M2368-L2371 HydrophobicContact SD-CD1 4.24Å; M2368-L2372 HydrophobicContact CE-CD1 4.38Å; M2368-L2372 HydrophobicContact CE-CD2 4.01Å; M2368-L2372 HydrophobicContact CE-CG 3.98Å; M2368-L2372 HydrophobicContact CG-CD1 4.36Å; M2368-L2372 WeakPolarHBondContact O-CG 3.41Å; M2368-L2372 PolarHBondContact O-N 3.08Å |
| 2369 | R | 97.1 | Very high | 94.1 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 11% | 0.106 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.4 | -39.8 | 172.6 | -179.2 | 165.7 | 69.2 | 173.6 | 3 | 112.8 | V2345 M2365 D2366 G2367 N2373 A2380 V2383 Y2405 F2407 | V2345-R2369 HydrophobicContact CG1-CB 4.26Å; M2365-R2369 PolarHBondContact O-N 2.81Å; M2365-R2369 VanDerWaalsContact O-N 3.11Å; D2366-R2369 IonicContact OD1-CZ 3.6Å; D2366-R2369 VanDerWaalsContact OD1-CZ 3.28Å; D2366-R2369 IonicContact OD1-NE 2.87Å; D2366-R2369 PolarHBondContact OD1-NE 3.14Å; D2366-R2369 IonicContact OD1-NH2 2.73Å; D2366-R2369 PolarHBondContact OD1-NH2 3.27Å; G2367-R2369 VanDerWaalsContact C-N 3.3Å; G2367-R2369 PolarHBondContact O-N 3.04Å; R2369-N2373 PolarHBondContact O-N 2.88Å; R2369-A2380 HydrophobicContact CG-CB 3.96Å; R2369-V2383 HydrophobicContact CB-CG1 4.23Å; R2369-V2383 HydrophobicContact CG-CB 3.84Å; R2369-V2383 HydrophobicContact CG-CG1 3.94Å; R2369-V2383 HydrophobicContact CG-CG2 4.36Å; R2369-Y2405 VanDerWaalsContact CZ-O 3.28Å; R2369-Y2405 PolarHBondContact NH1-O 2.97Å; R2369-Y2405 PolarHBondContact NH2-O 3.32Å; R2369-F2407 HydrophobicContact CB-CZ 4.3Å |
| 2370 | K | 95.4 | Very high | 94.3 | Very high | 119 Ų | 119 | 32.6 Ų | 32.6 | 52% | 0.517 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -68.7 | -37 | 174.5 | -70.4 | 157.3 | -179.8 | 157.8 | 0 | 112.4 | D2366 G2367 M2368 R2374 | D2366-K2370 VanDerWaalsContact O-CD 3.31Å; D2366-K2370 WeakPolarHBondContact O-CD 3.49Å; D2366-K2370 VanDerWaalsContact O-CG 3.26Å; D2366-K2370 WeakPolarHBondContact O-CG 3.32Å; D2366-K2370 PolarHBondContact O-N 3.07Å; D2366-K2370 WeakPolarHBondContact OD2-CE 3.37Å; D2366-K2370 IonicContact OD2-NZ 3.28Å; D2366-K2370 PolarHBondContact OD2-NZ 2.85Å; G2367-K2370 WeakPolarHBondContact O-CB 3.47Å; G2367-K2370 PolarHBondContact O-N 3.41Å; M2368-K2370 VanDerWaalsContact C-N 3.31Å; M2368-K2370 PolarHBondContact O-N 3.06Å; K2370-R2374 WeakPolarHBondContact O-CB 3.46Å; K2370-R2374 PolarHBondContact O-N 3.18Å |
| 2371 | L | 95.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -45.5 | 176.4 | -65 | -179.9 | 0 | 0 | 0 | 112 | H2325 Y2330 I2348 G2367 M2368 N2373 R2374 L2375 P2612 | H2325-L2371 HydrophobicContact CB-CD1 4.45Å; H2325-L2371 WeakPolarHBondContact CD2-CD1 3.4Å; Y2330-L2371 HydrophobicContact CE1-CB 4.1Å; I2348-L2371 HydrophobicContact CD1-CD1 3.85Å; I2348-L2371 HydrophobicContact CG1-CD1 4.03Å; G2367-L2371 PolarHBondContact O-N 3.28Å; M2368-L2371 PolarHBondContact O-N 3.43Å; M2368-L2371 VanDerWaalsContact O-N 3.15Å; M2368-L2371 HydrophobicContact SD-CB 4.3Å; M2368-L2371 HydrophobicContact SD-CD1 4.24Å; L2371-N2373 VanDerWaalsContact C-N 3.31Å; L2371-N2373 PolarHBondContact O-N 2.76Å; L2371-R2374 PolarHBondContact O-N 2.95Å; L2371-L2375 HydrophobicContact CD2-CD1 4.49Å; L2371-L2375 WeakPolarHBondContact O-CB 3.49Å; L2371-L2375 PolarHBondContact O-N 2.93Å; L2371-P2612 HydrophobicContact CD1-CB 4.1Å; L2371-P2612 HydrophobicContact CD2-CB 3.68Å; L2371-P2612 HydrophobicContact CD2-CG 4.16Å |
| 2372 | L | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.6 | -42.2 | 175.7 | -72.9 | 167.7 | 0 | 0 | 0 | 112.2 | V2323 Y2330 I2343 V2345 M2368 S2376 A2377 V2378 V2383 | V2323-L2372 HydrophobicContact CB-CD2 4.33Å; V2323-L2372 HydrophobicContact CG1-CD2 4.27Å; Y2330-L2372 HydrophobicContact CD1-CD2 4.44Å; Y2330-L2372 HydrophobicContact CE1-CD2 4.32Å; I2343-L2372 HydrophobicContact CG2-CD1 3.95Å; I2343-L2372 HydrophobicContact CG2-CD2 4.22Å; V2345-L2372 HydrophobicContact CG1-CD1 3.97Å; M2368-L2372 HydrophobicContact CE-CD1 4.38Å; M2368-L2372 HydrophobicContact CE-CD2 4.01Å; M2368-L2372 HydrophobicContact CE-CG 3.98Å; M2368-L2372 HydrophobicContact CG-CD1 4.36Å; M2368-L2372 WeakPolarHBondContact O-CG 3.41Å; M2368-L2372 PolarHBondContact O-N 3.08Å; L2372-S2376 CarbonylContact O-C 3.36Å; L2372-S2376 WeakPolarHBondContact O-CA 3.29Å; L2372-S2376 VanDerWaalsContact O-CB 3.25Å; L2372-S2376 WeakPolarHBondContact O-CB 3.46Å; L2372-S2376 PolarHBondContact O-N 3.03Å; L2372-A2377 PolarHBondContact O-N 3.48Å; L2372-V2378 HydrophobicContact CB-CB 4.2Å; L2372-V2378 PolarHBondContact O-N 3.23Å; L2372-V2383 HydrophobicContact CD1-CG1 4.47Å |
| 2373 | N | 95.6 | Very high | 94.4 | Very high | 74 Ų | 74 | 36.3 Ų | 36.3 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.6 | -52.6 | 173.8 | -171.6 | -13.3 | 0 | 0 | 0 | 111.5 | R2369 L2371 L2375 A2377 V2378 A2380 | R2369-N2373 PolarHBondContact O-N 2.88Å; L2371-N2373 VanDerWaalsContact C-N 3.31Å; L2371-N2373 PolarHBondContact O-N 2.76Å; N2373-L2375 VanDerWaalsContact C-N 3.35Å; N2373-L2375 PolarHBondContact O-N 3.06Å; N2373-A2377 PolarHBondContact O-N 2.9Å; N2373-V2378 WeakPolarHBondContact CA-O 3.42Å; N2373-V2378 WeakPolarHBondContact CB-O 3.48Å; N2373-A2380 HydrophobicContact CB-CB 4.29Å |
| 2374 | R | 93.7 | Very high | 94.6 | Very high | 175 Ų | 175 | 36.7 Ų | 36.7 | 66% | 0.66 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -67.4 | -27.1 | -175.4 | -173.9 | 173.1 | 179.5 | 175 | 0.1 | 114.8 | K2370 L2371 | K2370-R2374 WeakPolarHBondContact O-CB 3.46Å; K2370-R2374 PolarHBondContact O-N 3.18Å; L2371-R2374 PolarHBondContact O-N 2.95Å |
| 2375 | L | 95.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -120.7 | -17.4 | -170 | -58.6 | 177 | 0 | 0 | 0 | 114.5 | Y2330 L2371 N2373 T2603 F2605 P2608 | Y2330-L2375 WeakPolarHBondContact CB-O 3.16Å; Y2330-L2375 HydrophobicContact CD1-CB 3.51Å; Y2330-L2375 HydrophobicContact CD1-CD1 4.31Å; Y2330-L2375 HydrophobicContact CD2-CB 4.16Å; Y2330-L2375 HydrophobicContact CD2-CD1 4.05Å; Y2330-L2375 HydrophobicContact CE1-CB 4.03Å; Y2330-L2375 HydrophobicContact CE1-CD1 4.11Å; Y2330-L2375 HydrophobicContact CE2-CD1 3.84Å; Y2330-L2375 HydrophobicContact CG-CB 3.58Å; Y2330-L2375 HydrophobicContact CG-CD1 4.28Å; L2371-L2375 HydrophobicContact CD2-CD1 4.49Å; L2371-L2375 WeakPolarHBondContact O-CB 3.49Å; L2371-L2375 PolarHBondContact O-N 2.93Å; N2373-L2375 VanDerWaalsContact C-N 3.35Å; N2373-L2375 PolarHBondContact O-N 3.06Å; L2375-T2603 HydrophobicContact CD2-CG2 4.34Å; L2375-T2603 PolarHBondContact O-OG1 2.75Å; L2375-F2605 WeakPolarHBondContact O-CD2 3.42Å; L2375-P2608 HydrophobicContact CD2-CG 4.11Å |
| 2376 | S | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -121.8 | 6 | 177.4 | -65.2 | 0 | 0 | 0 | 0 | 114.8 | Y2330 Q2334 L2372 V2378 | Y2330-S2376 VanDerWaalsContact C-OG 3.28Å; Y2330-S2376 VanDerWaalsContact CA-OG 3.25Å; Y2330-S2376 WeakPolarHBondContact CA-OG 3.46Å; Y2330-S2376 VanDerWaalsContact CB-OG 3.24Å; Y2330-S2376 WeakPolarHBondContact CB-OG 3.32Å; Y2330-S2376 VanDerWaalsContact CD1-OG 3.3Å; Y2330-S2376 WeakPolarHBondContact CD1-OG 3.39Å; Y2330-S2376 WeakPolarHBondContact O-CB 3.2Å; Y2330-S2376 PolarHBondContact O-OG 3.3Å; Q2334-S2376 VanDerWaalsContact CB-O 3.24Å; Q2334-S2376 WeakPolarHBondContact CB-O 3.49Å; Q2334-S2376 WeakPolarHBondContact CG-O 3.33Å; L2372-S2376 CarbonylContact O-C 3.36Å; L2372-S2376 WeakPolarHBondContact O-CA 3.29Å; L2372-S2376 VanDerWaalsContact O-CB 3.25Å; L2372-S2376 WeakPolarHBondContact O-CB 3.46Å; L2372-S2376 PolarHBondContact O-N 3.03Å; S2376-V2378 PolarHBondContact O-N 3.46Å; S2376-V2378 VanDerWaalsContact O-N 3.08Å |
| 2377 | A | 91.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 36 Ų | 36 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | trans | 58.8 | 13.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L2372 N2373 N2379 A2578 F2605 | L2372-A2377 PolarHBondContact O-N 3.48Å; N2373-A2377 PolarHBondContact O-N 2.9Å; A2377-N2379 PolarHBondContact O-N 3.29Å; A2377-A2578 HydrophobicContact CB-CB 4.06Å; A2377-F2605 HydrophobicContact CB-CE2 3.97Å; A2377-F2605 HydrophobicContact CB-CZ 3.8Å | ||
| 2378 | V | 94.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -74.9 | 110.5 | -178.1 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | Y2337 I2343 L2372 N2373 S2376 A2380 V2383 | Y2337-V2378 HydrophobicContact CD1-CG2 4.27Å; Y2337-V2378 HydrophobicContact CD2-CB 4.38Å; Y2337-V2378 HydrophobicContact CD2-CG1 3.87Å; Y2337-V2378 HydrophobicContact CD2-CG2 4.09Å; Y2337-V2378 HydrophobicContact CE2-CG1 3.86Å; Y2337-V2378 HydrophobicContact CG-CB 4.46Å; Y2337-V2378 HydrophobicContact CG-CG1 4.42Å; Y2337-V2378 HydrophobicContact CG-CG2 3.84Å; I2343-V2378 HydrophobicContact CB-CG1 4.15Å; I2343-V2378 HydrophobicContact CG1-CG1 4.49Å; I2343-V2378 HydrophobicContact CG1-CG2 4.42Å; I2343-V2378 HydrophobicContact CG2-CG1 4.32Å; L2372-V2378 HydrophobicContact CB-CB 4.2Å; L2372-V2378 PolarHBondContact O-N 3.23Å; N2373-V2378 WeakPolarHBondContact CA-O 3.42Å; N2373-V2378 WeakPolarHBondContact CB-O 3.48Å; S2376-V2378 PolarHBondContact O-N 3.46Å; S2376-V2378 VanDerWaalsContact O-N 3.08Å; V2378-A2380 PolarHBondContact O-N 2.75Å; V2378-A2380 VanDerWaalsContact O-N 3.1Å; V2378-V2383 HydrophobicContact CG1-CG2 3.46Å; V2378-V2383 VanDerWaalsContact CG1-CG2 3.46Å | ||
| 2379 | N | 93 | Very high | 94.5 | Very high | 80 Ų | 80 | 35.5 Ų | 35.5 | 43% | 0.428 | 18% | 0.181 | S | C | . | . | trans | -58.1 | 119.9 | -178.3 | -179.7 | -14.4 | 0 | 0 | 0 | 110.4 | Y2337 A2377 S2381 T2382 | Y2337-N2379 WeakPolarHBondContact OH-CB 3.26Å; Y2337-N2379 PolarHBondContact OH-N 3.12Å; A2377-N2379 PolarHBondContact O-N 3.29Å; N2379-S2381 VanDerWaalsContact CG-OG 3.23Å; N2379-S2381 PolarHBondContact ND2-OG 3.43Å; N2379-S2381 PolarHBondContact O-N 3.07Å; N2379-S2381 VanDerWaalsContact O-N 3.08Å; N2379-S2381 PolarHBondContact OD1-N 3.06Å; N2379-S2381 VanDerWaalsContact OD1-N 3.08Å; N2379-S2381 PolarHBondContact OD1-OG 3.09Å; N2379-T2382 HydrophobicContact CB-CG2 4.27Å; N2379-T2382 WeakPolarHBondContact O-CA 3.05Å; N2379-T2382 WeakPolarHBondContact O-CB 3.48Å; N2379-T2382 PolarHBondContact O-N 3.3Å; N2379-T2382 PolarHBondContact O-OG1 2.8Å | ||
| 2380 | A | 90.2 | Very high | 94.1 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 21% | 0.207 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -56.7 | -28.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R2369 N2373 V2378 T2382 V2383 | R2369-A2380 HydrophobicContact CG-CB 3.96Å; N2373-A2380 HydrophobicContact CB-CB 4.29Å; V2378-A2380 PolarHBondContact O-N 2.75Å; V2378-A2380 VanDerWaalsContact O-N 3.1Å; A2380-T2382 PolarHBondContact O-N 3.34Å; A2380-V2383 PolarHBondContact O-N 2.88Å |
| 2381 | S | 89 | Confident | 93.8 | Very high | 85 Ų | 85 | 36.3 Ų | 36.3 | 59% | 0.594 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -69.2 | -16.6 | 174.5 | 61.8 | 0 | 0 | 0 | 0 | 114.2 | N2379 | N2379-S2381 VanDerWaalsContact CG-OG 3.23Å; N2379-S2381 PolarHBondContact ND2-OG 3.43Å; N2379-S2381 PolarHBondContact O-N 3.07Å; N2379-S2381 VanDerWaalsContact O-N 3.08Å; N2379-S2381 PolarHBondContact OD1-N 3.06Å; N2379-S2381 VanDerWaalsContact OD1-N 3.08Å; N2379-S2381 PolarHBondContact OD1-OG 3.09Å |
| 2382 | T | 91.9 | Very high | 93.6 | Very high | 44 Ų | 44 | 36 Ų | 36 | 27% | 0.27 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -91.5 | -12.3 | 174.1 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | Y2337 N2379 A2380 Q2384 | Y2337-T2382 WeakPolarHBondContact CE2-OG1 3.37Å; Y2337-T2382 PolarHBondContact OH-OG1 2.97Å; N2379-T2382 HydrophobicContact CB-CG2 4.27Å; N2379-T2382 WeakPolarHBondContact O-CA 3.05Å; N2379-T2382 WeakPolarHBondContact O-CB 3.48Å; N2379-T2382 PolarHBondContact O-N 3.3Å; N2379-T2382 PolarHBondContact O-OG1 2.8Å; A2380-T2382 PolarHBondContact O-N 3.34Å; T2382-Q2384 PolarHBondContact O-N 3.5Å; T2382-Q2384 VanDerWaalsContact O-N 3.15Å |
| 2383 | V | 96.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -87.3 | 81.5 | 177.1 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | V2345 R2369 L2372 V2378 A2380 | V2345-V2383 HydrophobicContact CG1-CG1 3.76Å; R2369-V2383 HydrophobicContact CB-CG1 4.23Å; R2369-V2383 HydrophobicContact CG-CB 3.84Å; R2369-V2383 HydrophobicContact CG-CG1 3.94Å; R2369-V2383 HydrophobicContact CG-CG2 4.36Å; L2372-V2383 HydrophobicContact CD1-CG1 4.47Å; V2378-V2383 HydrophobicContact CG1-CG2 3.46Å; V2378-V2383 VanDerWaalsContact CG1-CG2 3.46Å; A2380-V2383 PolarHBondContact O-N 2.88Å | ||
| 2384 | Q | 94.5 | Very high | 93 | Very high | 68 Ų | 68 | 33.4 Ų | 33.4 | 32% | 0.318 | 18% | 0.176 | S | C | . | . | trans | -97.2 | -26.4 | -171 | -64.1 | -171.9 | 31.2 | 0 | 0 | 114.5 | T2382 F2407 T2408 | T2382-Q2384 PolarHBondContact O-N 3.5Å; T2382-Q2384 VanDerWaalsContact O-N 3.15Å; Q2384-F2407 CarbonylContact O-C 3.48Å; Q2384-F2407 WeakPolarHBondContact O-CA 3.46Å; Q2384-T2408 HydrophobicContact CB-CG2 4.17Å; Q2384-T2408 WeakPolarHBondContact CB-OG1 3.41Å; Q2384-T2408 HydrophobicContact CG-CG2 4.21Å; Q2384-T2408 PolarHBondContact O-N 3.16Å; Q2384-T2408 PolarHBondContact OE1-OG1 3.08Å | ||
| 2385 | G | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 145.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | A2344 V2345 Y2409 | A2344-G2385 WeakPolarHBondContact CB-O 3.42Å; V2345-G2385 PolarHBondContact N-O 3.29Å; G2385-Y2409 VanDerWaalsContact CA-CE1 3.43Å |
| 2386 | V | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.6 | 167.2 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | V2345 M2365 M2402 F2407 Y2409 D2410 N2411 | V2345-V2386 HydrophobicContact CG2-CG2 4.01Å; M2365-V2386 HydrophobicContact CE-CG1 3.82Å; M2365-V2386 HydrophobicContact CG-CG1 4.24Å; M2365-V2386 HydrophobicContact SD-CG1 3.92Å; V2386-M2402 HydrophobicContact CB-CE 4.11Å; V2386-M2402 HydrophobicContact CB-SD 4.16Å; V2386-M2402 HydrophobicContact CG2-CE 4.18Å; V2386-M2402 HydrophobicContact CG2-CG 4.12Å; V2386-M2402 HydrophobicContact CG2-SD 4.27Å; V2386-F2407 HydrophobicContact CG2-CB 3.83Å; V2386-F2407 HydrophobicContact CG2-CD1 3.43Å; V2386-F2407 VanDerWaalsContact CG2-CD1 3.43Å; V2386-F2407 HydrophobicContact CG2-CD2 3.96Å; V2386-F2407 HydrophobicContact CG2-CE1 3.86Å; V2386-F2407 HydrophobicContact CG2-CE2 4.34Å; V2386-F2407 HydrophobicContact CG2-CG 3.47Å; V2386-F2407 VanDerWaalsContact CG2-CG 3.47Å; V2386-F2407 HydrophobicContact CG2-CZ 4.3Å; V2386-Y2409 PolarHBondContact N-O 3.11Å; V2386-D2410 WeakPolarHBondContact O-CA 3.41Å; V2386-N2411 PolarHBondContact O-N 2.62Å |
| 2387 | R | 97 | Very high | 92.3 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | trans | -125.2 | 135 | 157.7 | -179.3 | 175.1 | -76.7 | 170.2 | 2.5 | 108 | T2288 D2290 F2322 V2345 N2346 M2365 M2391 N2411 S2412 | T2288-R2387 PolarHBondContact OG1-NH2 2.73Å; D2290-R2387 WeakPolarHBondContact OD1-CD 3.41Å; D2290-R2387 IonicContact OD1-CZ 3.32Å; D2290-R2387 IonicContact OD1-NE 3.05Å; D2290-R2387 IonicContact OD1-NH1 3.79Å; D2290-R2387 PolarHBondContact OD1-NH1 2.99Å; D2290-R2387 IonicContact OD2-NH1 3.01Å; D2290-R2387 PolarHBondContact OD2-NH1 3.22Å; F2322-R2387 HydrophobicContact CB-CB 4.4Å; F2322-R2387 HydrophobicContact CD1-CB 3.34Å; F2322-R2387 VanDerWaalsContact CD2-CZ 3.49Å; F2322-R2387 HydrophobicContact CE1-CB 3.55Å; F2322-R2387 VanDerWaalsContact CE2-CZ 3.41Å; F2322-R2387 VanDerWaalsContact CE2-NH2 3.33Å; F2322-R2387 HydrophobicContact CG-CB 3.86Å; F2322-R2387 HydrophobicContact CZ-CB 4.21Å; V2345-R2387 PolarHBondContact O-N 2.99Å; N2346-R2387 PolarHBondContact OD1-O 2.86Å; M2365-R2387 WeakPolarHBondContact CE-O 3.33Å; R2387-M2391 HydrophobicContact CG-CE 4.18Å; R2387-M2391 HydrophobicContact CG-SD 3.91Å; R2387-N2411 WeakPolarHBondContact CG-O 3.5Å; R2387-N2411 PolarHBondContact NE-O 2.91Å; R2387-N2411 PolarHBondContact NH2-OD1 3.47Å; R2387-S2412 WeakPolarHBondContact CA-OG 3.47Å | ||
| 2388 | A | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | trans | -76.6 | 138 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | W2361 Q2390 M2391 S2412 | W2361-A2388 HydrophobicContact CH2-CB 3.87Å; W2361-A2388 HydrophobicContact CZ3-CB 4.31Å; A2388-Q2390 PolarHBondContact O-N 2.96Å; A2388-M2391 WeakPolarHBondContact O-CA 3.39Å; A2388-M2391 PolarHBondContact O-N 2.79Å; A2388-S2412 WeakPolarHBondContact CB-OG 3.07Å; A2388-S2412 PolarHBondContact N-OG 3.21Å | ||
| 2389 | P | 91.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -55.5 | 137.8 | 174.6 | 21.8 | -32.5 | 0 | 0 | 0 | 110.4 | N2346 E2351 L2353 M2391 A2392 | N2346-P2389 VanDerWaalsContact OD1-CA 3.26Å; N2346-P2389 WeakPolarHBondContact OD1-CA 3.04Å; E2351-P2389 WeakPolarHBondContact O-CB 3.33Å; E2351-P2389 WeakPolarHBondContact O-CG 3.01Å; L2353-P2389 HydrophobicContact CD1-CG 4.13Å; L2353-P2389 HydrophobicContact CG-CG 3.88Å; P2389-M2391 PolarHBondContact O-N 2.86Å; P2389-M2391 VanDerWaalsContact O-N 3.07Å; P2389-A2392 WeakPolarHBondContact O-CB 3.45Å; P2389-A2392 PolarHBondContact O-N 3.18Å |
| 2390 | Q | 87.7 | Confident | 92.2 | Very high | 133 Ų | 133 | 26.3 Ų | 26.3 | 62% | 0.621 | 15% | 0.146 | S | C | * | . | G | 310 helix | trans | 58.3 | 16.6 | -176.2 | -48 | 179.6 | 12.7 | 0 | 0 | 114.6 | H2350 A2388 A2392 | H2350-Q2390 PolarHBondContact O-NE2 3.31Å; A2388-Q2390 PolarHBondContact O-N 2.96Å; Q2390-A2392 PolarHBondContact O-N 3.28Å |
| 2391 | M | 90.6 | Very high | 92.4 | Very high | 31 Ų | 31 | 25.1 Ų | 25.1 | 15% | 0.153 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | 59.5 | 20.1 | -169 | -59.1 | -71.3 | -173.4 | 0 | 0 | 114 | R2387 A2388 P2389 V2393 I2455 A2473 M2474 | R2387-M2391 HydrophobicContact CG-CE 4.18Å; R2387-M2391 HydrophobicContact CG-SD 3.91Å; A2388-M2391 WeakPolarHBondContact O-CA 3.39Å; A2388-M2391 PolarHBondContact O-N 2.79Å; P2389-M2391 PolarHBondContact O-N 2.86Å; P2389-M2391 VanDerWaalsContact O-N 3.07Å; M2391-V2393 PolarHBondContact O-N 3.41Å; M2391-I2455 HydrophobicContact CE-CD1 3.4Å; M2391-I2455 HydrophobicContact SD-CD1 3.52Å; M2391-I2455 VanDerWaalsContact SD-CD1 3.52Å; M2391-A2473 HydrophobicContact CG-CB 4.4Å; M2391-M2474 HydrophobicContact CE-CE 3.49Å; M2391-M2474 VanDerWaalsContact CE-CE 3.49Å; M2391-M2474 HydrophobicContact CE-CG 4.46Å; M2391-M2474 HydrophobicContact CE-SD 3.73Å |
| 2392 | A | 90.5 | Very high | 92.8 | Very high | 17 Ų | 17 | 21 Ų | 21 | 14% | 0.14 | 11% | 0.108 | C | C | . | . | trans | -85.7 | 90.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T2352 P2389 Q2390 | T2352-A2392 WeakPolarHBondContact OG1-CB 3.04Å; P2389-A2392 WeakPolarHBondContact O-CB 3.45Å; P2389-A2392 PolarHBondContact O-N 3.18Å; Q2390-A2392 PolarHBondContact O-N 3.28Å | ||
| 2393 | V | 91.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 23.1 Ų | 23.1 | 10% | 0.103 | 11% | 0.114 | C | C | . | . | trans | -59.5 | 137 | -177.7 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | S2354 M2391 F2399 M2413 P2441 | S2354-V2393 WeakPolarHBondContact CB-O 3.48Å; M2391-V2393 PolarHBondContact O-N 3.41Å; V2393-F2399 HydrophobicContact CG1-CE2 3.92Å; V2393-F2399 HydrophobicContact CG1-CZ 4.06Å; V2393-M2413 HydrophobicContact CG1-CG 4.39Å; V2393-M2413 HydrophobicContact CG2-CG 3.93Å; V2393-P2441 WeakPolarHBondContact O-CD 3.08Å | ||
| 2394 | G | 90.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | trans | -92.1 | 11.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R2397 | G2394-R2397 PolarHBondContact O-N 3.34Š| ||
| 2395 | G | 89.4 | Confident | 92.2 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | -146 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R2397 Q2398 F2399 P2441 C2442 | G2395-R2397 PolarHBondContact O-N 2.81Å; G2395-Q2398 WeakPolarHBondContact O-CB 3.32Å; G2395-Q2398 PolarHBondContact O-N 2.92Å; G2395-F2399 WeakPolarHBondContact O-CD2 3.35Å; G2395-F2399 PolarHBondContact O-N 2.78Å; G2395-P2441 VanDerWaalsContact CA-O 3.23Å; G2395-P2441 WeakPolarHBondContact CA-O 3.37Å; G2395-P2441 PolarHBondContact N-O 3.25Å; G2395-P2441 VanDerWaalsContact N-O 3.15Å; G2395-C2442 WeakPolarHBondContact CA-O 3.22Å |
| 2396 | N | 89.6 | Confident | 92 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 14% | 0.139 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -50 | -27.1 | 179.8 | -66.2 | -23.2 | 0 | 0 | 0 | 114.9 | A2400 P2443 D2444 Q2445 F2447 | N2396-A2400 WeakPolarHBondContact O-CB 3.45Å; N2396-A2400 PolarHBondContact O-N 3.44Å; N2396-P2443 WeakPolarHBondContact OD1-CA 3.08Å; N2396-D2444 PolarHBondContact ND2-OD1 3.37Å; N2396-D2444 PolarHBondContact OD1-N 2.95Å; N2396-Q2445 PolarHBondContact ND2-NE2 3.29Å; N2396-Q2445 PolarHBondContact OD1-N 3.14Å; N2396-Q2445 VanDerWaalsContact OD1-N 3.09Å; N2396-F2447 HydrophobicContact CB-CE2 4.37Å; N2396-F2447 HydrophobicContact CB-CZ 4.03Å |
| 2397 | R | 88.7 | Confident | 92 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 30% | 0.298 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.5 | -39.5 | -180 | -64.8 | 178.6 | -71.6 | -159.3 | -4.2 | 112.2 | S2354 E2355 S2356 G2394 G2395 M2401 | S2354-R2397 PolarHBondContact O-NH2 2.82Å; E2355-R2397 VanDerWaalsContact C-NH2 3.34Å; E2355-R2397 VanDerWaalsContact CA-NH2 3.31Å; E2355-R2397 VanDerWaalsContact O-CZ 3.27Å; E2355-R2397 PolarHBondContact O-NH1 2.92Å; E2355-R2397 PolarHBondContact O-NH2 2.86Å; S2356-R2397 WeakPolarHBondContact O-CD 3.48Å; S2356-R2397 PolarHBondContact O-NE 3.22Å; G2394-R2397 PolarHBondContact O-N 3.34Å; G2395-R2397 PolarHBondContact O-N 2.81Å; R2397-M2401 WeakPolarHBondContact O-CB 3.49Å; R2397-M2401 PolarHBondContact O-N 3.08Å |
| 2398 | Q | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -52.9 | 174.4 | 172 | 177.3 | -4.7 | 0 | 0 | 110.5 | W2361 G2395 A2400 M2401 M2402 D2410 | W2361-Q2398 HydrophobicContact CD2-CB 4.08Å; W2361-Q2398 HydrophobicContact CD2-CG 4.47Å; W2361-Q2398 HydrophobicContact CE3-CB 3.92Å; W2361-Q2398 HydrophobicContact CE3-CG 3.8Å; W2361-Q2398 HydrophobicContact CH2-CB 3.88Å; W2361-Q2398 HydrophobicContact CH2-CG 3.84Å; W2361-Q2398 VanDerWaalsContact CH2-OE1 3.28Å; W2361-Q2398 HydrophobicContact CZ2-CB 4.04Å; W2361-Q2398 HydrophobicContact CZ2-CG 4.5Å; W2361-Q2398 HydrophobicContact CZ3-CB 3.81Å; W2361-Q2398 VanDerWaalsContact CZ3-CD 3.46Å; W2361-Q2398 HydrophobicContact CZ3-CG 3.44Å; W2361-Q2398 VanDerWaalsContact CZ3-CG 3.44Å; G2395-Q2398 WeakPolarHBondContact O-CB 3.32Å; G2395-Q2398 PolarHBondContact O-N 2.92Å; Q2398-A2400 PolarHBondContact O-N 2.97Å; Q2398-M2401 WeakPolarHBondContact O-CB 3.37Å; Q2398-M2401 PolarHBondContact O-N 3.15Å; Q2398-M2401 VanDerWaalsContact O-N 3.15Å; Q2398-M2402 HydrophobicContact CG-CG 4.48Å; Q2398-M2402 HydrophobicContact CG-SD 3.82Å; Q2398-M2402 WeakPolarHBondContact O-CG 3.11Å; Q2398-M2402 PolarHBondContact O-N 2.79Å; Q2398-D2410 PolarHBondContact NE2-OD1 3.37Å |
| 2399 | F | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.6 | -32.9 | -174 | -57.2 | -72.7 | 0 | 0 | 0 | 113 | V2393 G2395 M2401 M2402 Q2403 D2410 M2413 L2429 P2443 F2447 I2450 | V2393-F2399 HydrophobicContact CG1-CE2 3.92Å; V2393-F2399 HydrophobicContact CG1-CZ 4.06Å; G2395-F2399 WeakPolarHBondContact O-CD2 3.35Å; G2395-F2399 PolarHBondContact O-N 2.78Å; F2399-M2401 VanDerWaalsContact C-N 3.34Å; F2399-M2401 PolarHBondContact O-N 3.11Å; F2399-M2402 HydrophobicContact CD1-SD 3.97Å; F2399-M2402 HydrophobicContact CE1-SD 4.25Å; F2399-M2402 PolarHBondContact O-N 2.81Å; F2399-Q2403 WeakPolarHBondContact O-CB 3.26Å; F2399-Q2403 PolarHBondContact O-N 3.13Å; F2399-D2410 HydrophobicContact CE1-CB 3.73Å; F2399-D2410 HydrophobicContact CZ-CB 4.49Å; F2399-M2413 HydrophobicContact CE1-CE 3.88Å; F2399-M2413 HydrophobicContact CZ-CE 3.64Å; F2399-M2413 HydrophobicContact CZ-SD 4.02Å; F2399-L2429 HydrophobicContact CB-CD1 4.38Å; F2399-L2429 HydrophobicContact CD1-CD1 3.3Å; F2399-L2429 HydrophobicContact CD2-CD1 4.45Å; F2399-L2429 HydrophobicContact CE1-CD1 3.6Å; F2399-L2429 HydrophobicContact CG-CD1 3.78Å; F2399-L2429 HydrophobicContact CZ-CD1 4.32Å; F2399-P2443 HydrophobicContact CD2-CB 3.67Å; F2399-P2443 HydrophobicContact CD2-CG 4.17Å; F2399-P2443 HydrophobicContact CE2-CB 3.8Å; F2399-P2443 HydrophobicContact CE2-CG 3.78Å; F2399-P2443 HydrophobicContact CZ-CG 4.37Å; F2399-F2447 HydrophobicContact CB-CB 4.32Å; F2399-F2447 HydrophobicContact CB-CD1 4.09Å; F2399-F2447 HydrophobicContact CB-CD2 3.44Å; F2399-F2447 VanDerWaalsContact CB-CD2 3.44Å; F2399-F2447 HydrophobicContact CB-CE1 4.3Å; F2399-F2447 HydrophobicContact CB-CE2 3.67Å; F2399-F2447 HydrophobicContact CB-CG 3.67Å; F2399-F2447 HydrophobicContact CB-CZ 4.1Å; F2399-F2447 HydrophobicContact CG-CD2 4.3Å; F2399-I2450 HydrophobicContact CB-CD1 4.26Å; F2399-I2450 HydrophobicContact CD1-CG2 4.37Å; F2399-I2450 WeakPolarHBondContact O-CD1 3.48Å |
| 2400 | A | 89 | Confident | 92.3 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -34.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M2358 N2396 Q2398 R2404 F2447 | M2358-A2400 HydrophobicContact CE-CB 3.64Å; N2396-A2400 WeakPolarHBondContact O-CB 3.45Å; N2396-A2400 PolarHBondContact O-N 3.44Å; Q2398-A2400 PolarHBondContact O-N 2.97Å; A2400-R2404 VanDerWaalsContact O-CB 3.28Å; A2400-R2404 WeakPolarHBondContact O-CB 3.25Å; A2400-R2404 PolarHBondContact O-N 3.35Å; A2400-F2447 HydrophobicContact CB-CE1 3.76Å; A2400-F2447 HydrophobicContact CB-CZ 4.3Å |
| 2401 | M | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -52.3 | 168.3 | 178 | -77.7 | -67.6 | 0 | 0 | 110 | M2358 W2361 V2362 M2365 R2397 Q2398 F2399 Q2403 R2404 Y2405 F2407 | M2358-M2401 HydrophobicContact CG-CB 3.94Å; W2361-M2401 HydrophobicContact CB-CB 4.11Å; W2361-M2401 HydrophobicContact CB-CE 4.15Å; W2361-M2401 HydrophobicContact CB-CG 3.97Å; W2361-M2401 HydrophobicContact CE3-CE 4.05Å; V2362-M2401 HydrophobicContact CG2-CG 3.56Å; M2365-M2401 HydrophobicContact CB-CE 3.71Å; M2365-M2401 HydrophobicContact CB-SD 4.42Å; M2365-M2401 HydrophobicContact CG-CE 3.76Å; R2397-M2401 WeakPolarHBondContact O-CB 3.49Å; R2397-M2401 PolarHBondContact O-N 3.08Å; Q2398-M2401 WeakPolarHBondContact O-CB 3.37Å; Q2398-M2401 PolarHBondContact O-N 3.15Å; Q2398-M2401 VanDerWaalsContact O-N 3.15Å; F2399-M2401 VanDerWaalsContact C-N 3.34Å; F2399-M2401 PolarHBondContact O-N 3.11Å; M2401-Q2403 PolarHBondContact O-N 2.92Å; M2401-R2404 PolarHBondContact O-N 3.48Å; M2401-R2404 VanDerWaalsContact O-N 3.13Å; M2401-Y2405 HydrophobicContact CG-CD2 4.15Å; M2401-Y2405 WeakPolarHBondContact O-CD2 3.15Å; M2401-Y2405 PolarHBondContact O-N 3.31Å; M2401-Y2405 HydrophobicContact SD-CD2 4.49Å; M2401-F2407 HydrophobicContact SD-CD2 3.95Å; M2401-F2407 HydrophobicContact SD-CE2 3.93Å |
| 2402 | M | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.5 | -44.8 | -176.6 | -72.1 | 174 | 65.2 | 0 | 0 | 112.8 | V2386 Q2398 F2399 R2404 Y2405 Q2406 F2407 Y2409 D2410 I2450 | V2386-M2402 HydrophobicContact CB-CE 4.11Å; V2386-M2402 HydrophobicContact CB-SD 4.16Å; V2386-M2402 HydrophobicContact CG2-CE 4.18Å; V2386-M2402 HydrophobicContact CG2-CG 4.12Å; V2386-M2402 HydrophobicContact CG2-SD 4.27Å; Q2398-M2402 HydrophobicContact CG-CG 4.48Å; Q2398-M2402 HydrophobicContact CG-SD 3.82Å; Q2398-M2402 WeakPolarHBondContact O-CG 3.11Å; Q2398-M2402 PolarHBondContact O-N 2.79Å; F2399-M2402 HydrophobicContact CD1-SD 3.97Å; F2399-M2402 HydrophobicContact CE1-SD 4.25Å; F2399-M2402 PolarHBondContact O-N 2.81Å; M2402-R2404 PolarHBondContact O-N 3.26Å; M2402-Y2405 CarbonylContact O-C 3.43Å; M2402-Y2405 PolarHBondContact O-N 2.83Å; M2402-Q2406 PolarHBondContact O-N 2.84Å; M2402-F2407 HydrophobicContact CB-CB 3.99Å; M2402-F2407 HydrophobicContact CE-CB 4.07Å; M2402-F2407 HydrophobicContact CG-CB 4Å; M2402-F2407 HydrophobicContact CG-CD2 4.46Å; M2402-F2407 PolarHBondContact O-N 2.86Å; M2402-Y2409 VanDerWaalsContact CE-C 3.41Å; M2402-Y2409 VanDerWaalsContact CE-O 3.24Å; M2402-Y2409 WeakPolarHBondContact CE-O 3.43Å; M2402-D2410 HydrophobicContact CE-CB 3.93Å; M2402-D2410 HydrophobicContact SD-CB 4.31Å; M2402-I2450 HydrophobicContact CB-CD1 3.72Å; M2402-I2450 HydrophobicContact CE-CG2 3.92Å |
| 2403 | Q | 91.2 | Very high | 93 | Very high | 88 Ų | 88 | 31.9 Ų | 31.9 | 41% | 0.411 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 178.3 | -157.9 | -179.7 | 48 | 0 | 0 | 111.4 | F2399 M2401 P2448 I2450 | F2399-Q2403 WeakPolarHBondContact O-CB 3.26Å; F2399-Q2403 PolarHBondContact O-N 3.13Å; M2401-Q2403 PolarHBondContact O-N 2.92Å; Q2403-P2448 PolarHBondContact NE2-O 2.77Å; Q2403-P2448 VanDerWaalsContact NE2-O 3.12Å; Q2403-I2450 HydrophobicContact CB-CD1 3.95Å |
| 2404 | R | 88.6 | Confident | 93 | Very high | 165 Ų | 165 | 32.4 Ų | 32.4 | 62% | 0.623 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -70.4 | -31.6 | -179.4 | -178.3 | 173.1 | 178.7 | 158 | 2.7 | 113.1 | A2400 M2401 M2402 | A2400-R2404 VanDerWaalsContact O-CB 3.28Å; A2400-R2404 WeakPolarHBondContact O-CB 3.25Å; A2400-R2404 PolarHBondContact O-N 3.35Å; M2401-R2404 PolarHBondContact O-N 3.48Å; M2401-R2404 VanDerWaalsContact O-N 3.13Å; M2402-R2404 PolarHBondContact O-N 3.26Å |
| 2405 | Y | 92.5 | Very high | 93.1 | Very high | 64 Ų | 64 | 32.3 Ų | 32.3 | 25% | 0.251 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 13 | -178.4 | -71 | -94.4 | 0 | 0 | 0 | 113.2 | V2362 D2366 R2369 M2401 M2402 F2407 | V2362-Y2405 HydrophobicContact CB-CE2 4.34Å; V2362-Y2405 HydrophobicContact CG1-CD1 4.41Å; V2362-Y2405 HydrophobicContact CG1-CE1 3.74Å; V2362-Y2405 HydrophobicContact CG1-CE2 4.06Å; V2362-Y2405 HydrophobicContact CG2-CD2 3.8Å; V2362-Y2405 HydrophobicContact CG2-CE1 4.45Å; V2362-Y2405 HydrophobicContact CG2-CE2 3.27Å; D2366-Y2405 HydrophobicContact CB-CD1 4.05Å; D2366-Y2405 WeakPolarHBondContact OD2-CD1 3.47Å; R2369-Y2405 VanDerWaalsContact CZ-O 3.28Å; R2369-Y2405 PolarHBondContact NH1-O 2.97Å; R2369-Y2405 PolarHBondContact NH2-O 3.32Å; M2401-Y2405 HydrophobicContact CG-CD2 4.15Å; M2401-Y2405 WeakPolarHBondContact O-CD2 3.15Å; M2401-Y2405 PolarHBondContact O-N 3.31Å; M2401-Y2405 HydrophobicContact SD-CD2 4.49Å; M2402-Y2405 CarbonylContact O-C 3.43Å; M2402-Y2405 PolarHBondContact O-N 2.83Å; Y2405-F2407 PolarHBondContact O-N 3.02Å |
| 2406 | Q | 91.4 | Very high | 93.1 | Very high | 161 Ų | 161 | 34.1 Ų | 34.1 | 75% | 0.752 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 37.8 | 171.7 | -55.1 | 179.3 | -41.8 | 0 | 0 | 114.6 | M2402 | M2402-Q2406 PolarHBondContact O-N 2.84Š|
| 2407 | F | 97.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | trans | -81.3 | 131 | 161.9 | -69.1 | -79.5 | 0 | 0 | 0 | 108.7 | V2345 M2365 D2366 R2369 Q2384 V2386 M2401 M2402 Y2405 | V2345-F2407 HydrophobicContact CG2-CE1 3.81Å; V2345-F2407 HydrophobicContact CG2-CZ 4.12Å; M2365-F2407 HydrophobicContact CB-CE2 4.25Å; M2365-F2407 HydrophobicContact CB-CZ 4.24Å; D2366-F2407 HydrophobicContact CB-CE2 4.43Å; R2369-F2407 HydrophobicContact CB-CZ 4.3Å; Q2384-F2407 CarbonylContact O-C 3.48Å; Q2384-F2407 WeakPolarHBondContact O-CA 3.46Å; V2386-F2407 HydrophobicContact CG2-CB 3.83Å; V2386-F2407 HydrophobicContact CG2-CD1 3.43Å; V2386-F2407 VanDerWaalsContact CG2-CD1 3.43Å; V2386-F2407 HydrophobicContact CG2-CD2 3.96Å; V2386-F2407 HydrophobicContact CG2-CE1 3.86Å; V2386-F2407 HydrophobicContact CG2-CE2 4.34Å; V2386-F2407 HydrophobicContact CG2-CG 3.47Å; V2386-F2407 VanDerWaalsContact CG2-CG 3.47Å; V2386-F2407 HydrophobicContact CG2-CZ 4.3Å; M2401-F2407 HydrophobicContact SD-CD2 3.95Å; M2401-F2407 HydrophobicContact SD-CE2 3.93Å; M2402-F2407 HydrophobicContact CB-CB 3.99Å; M2402-F2407 HydrophobicContact CE-CB 4.07Å; M2402-F2407 HydrophobicContact CG-CB 4Å; M2402-F2407 HydrophobicContact CG-CD2 4.46Å; M2402-F2407 PolarHBondContact O-N 2.86Å; Y2405-F2407 PolarHBondContact O-N 3.02Å | ||
| 2408 | T | 95.2 | Very high | 92.6 | Very high | 36 Ų | 36 | 31 Ų | 31 | 22% | 0.221 | 15% | 0.154 | C | C | . | . | trans | -96.2 | -19.6 | -167.9 | 73.1 | 0 | 0 | 0 | 0 | 113.6 | Q2384 W2451 | Q2384-T2408 HydrophobicContact CB-CG2 4.17Å; Q2384-T2408 WeakPolarHBondContact CB-OG1 3.41Å; Q2384-T2408 HydrophobicContact CG-CG2 4.21Å; Q2384-T2408 PolarHBondContact O-N 3.16Å; Q2384-T2408 PolarHBondContact OE1-OG1 3.08Å; T2408-W2451 PolarHBondContact O-N 2.04Å | ||
| 2409 | Y | 98.1 | Very high | 92 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 148.7 | 176.9 | 75.2 | -97.6 | 0 | 0 | 0 | 113.9 | F2322 E2342 G2385 V2386 M2402 N2411 W2451 V2453 I2546 I2550 | F2322-Y2409 HydrophobicContact CE1-CE2 4.26Å; F2322-Y2409 AromaticContact CZ-CE2 3.99Å; F2322-Y2409 HydrophobicContact CZ-CE2 3.99Å; E2342-Y2409 WeakPolarHBondContact OE1-CE1 3.49Å; E2342-Y2409 PolarHBondContact OE1-OH 2.63Å; G2385-Y2409 VanDerWaalsContact CA-CE1 3.43Å; V2386-Y2409 PolarHBondContact N-O 3.11Å; M2402-Y2409 VanDerWaalsContact CE-C 3.41Å; M2402-Y2409 VanDerWaalsContact CE-O 3.24Å; M2402-Y2409 WeakPolarHBondContact CE-O 3.43Å; Y2409-N2411 HydrophobicContact CD2-CB 4.32Å; Y2409-N2411 HydrophobicContact CE2-CB 4.28Å; Y2409-W2451 CarbonylContact C-O 3.59Å; Y2409-W2451 WeakPolarHBondContact CA-O 3.46Å; Y2409-W2451 WeakPolarHBondContact CB-O 3.44Å; Y2409-V2453 HydrophobicContact CD2-CG2 4.27Å; Y2409-I2546 HydrophobicContact CD1-CG2 4.24Å; Y2409-I2546 HydrophobicContact CD2-CG2 3.76Å; Y2409-I2546 HydrophobicContact CE1-CB 4.31Å; Y2409-I2546 HydrophobicContact CE1-CG2 4.02Å; Y2409-I2546 HydrophobicContact CE2-CB 3.99Å; Y2409-I2546 HydrophobicContact CE2-CD1 3.66Å; Y2409-I2546 HydrophobicContact CE2-CG1 4.45Å; Y2409-I2546 HydrophobicContact CE2-CG2 3.56Å; Y2409-I2546 HydrophobicContact CG-CG2 4.12Å; Y2409-I2550 HydrophobicContact CD1-CD1 3.86Å; Y2409-I2550 HydrophobicContact CG-CD1 3.78Å |
| 2410 | D | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 142.6 | 164.2 | 173 | 75.8 | 0 | 0 | 0 | 109.5 | V2386 Q2398 F2399 M2402 S2412 M2413 W2451 V2453 | V2386-D2410 WeakPolarHBondContact O-CA 3.41Å; Q2398-D2410 PolarHBondContact NE2-OD1 3.37Å; F2399-D2410 HydrophobicContact CE1-CB 3.73Å; F2399-D2410 HydrophobicContact CZ-CB 4.49Å; M2402-D2410 HydrophobicContact CE-CB 3.93Å; M2402-D2410 HydrophobicContact SD-CB 4.31Å; D2410-S2412 VanDerWaalsContact OD1-CB 3.24Å; D2410-S2412 WeakPolarHBondContact OD1-CB 3.42Å; D2410-S2412 PolarHBondContact OD1-N 3.04Å; D2410-S2412 PolarHBondContact OD1-OG 2.84Å; D2410-S2412 PolarHBondContact OD2-N 2.97Å; D2410-M2413 HydrophobicContact CB-CE 4.18Å; D2410-M2413 VanDerWaalsContact OD2-CE 3.3Å; D2410-M2413 WeakPolarHBondContact OD2-CE 3.48Å; D2410-M2413 PolarHBondContact OD2-N 2.94Å; D2410-W2451 PolarHBondContact N-O 3.34Å; D2410-V2453 WeakPolarHBondContact O-CB 3.38Å; D2410-V2453 PolarHBondContact O-N 2.75Å |
| 2411 | N | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -136.9 | 59.2 | 166.2 | -173.8 | -134.8 | 0 | 0 | 0 | 111.1 | F2322 V2386 R2387 Y2409 V2453 I2546 | F2322-N2411 HydrophobicContact CZ-CB 4.05Å; V2386-N2411 PolarHBondContact O-N 2.62Å; R2387-N2411 WeakPolarHBondContact CG-O 3.5Å; R2387-N2411 PolarHBondContact NE-O 2.91Å; R2387-N2411 PolarHBondContact NH2-OD1 3.47Å; Y2409-N2411 HydrophobicContact CD2-CB 4.32Å; Y2409-N2411 HydrophobicContact CE2-CB 4.28Å; N2411-V2453 HydrophobicContact CB-CB 4.11Å; N2411-V2453 WeakPolarHBondContact ND2-CG1 3.39Å; N2411-V2453 PolarHBondContact ND2-O 2.83Å; N2411-I2546 HydrophobicContact CB-CD1 3.97Å; N2411-I2546 WeakPolarHBondContact OD1-CD1 3.38Å | ||
| 2412 | S | 94.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | trans | -116.9 | -29 | 177.6 | -43.5 | 0 | 0 | 0 | 0 | 112.6 | R2387 A2388 D2410 S2414 | R2387-S2412 WeakPolarHBondContact CA-OG 3.47Å; A2388-S2412 WeakPolarHBondContact CB-OG 3.07Å; A2388-S2412 PolarHBondContact N-OG 3.21Å; D2410-S2412 VanDerWaalsContact OD1-CB 3.24Å; D2410-S2412 WeakPolarHBondContact OD1-CB 3.42Å; D2410-S2412 PolarHBondContact OD1-N 3.04Å; D2410-S2412 PolarHBondContact OD1-OG 2.84Å; D2410-S2412 PolarHBondContact OD2-N 2.97Å; S2412-S2414 PolarHBondContact O-N 2.04Å | ||
| 2413 | M | 91.8 | Very high | 90.3 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | trans | -69.9 | 113 | -172.3 | -75 | 175.9 | -80.5 | 0 | 0 | 112.8 | V2393 F2399 D2410 L2433 W2435 P2443 A2452 I2455 | V2393-M2413 HydrophobicContact CG1-CG 4.39Å; V2393-M2413 HydrophobicContact CG2-CG 3.93Å; F2399-M2413 HydrophobicContact CE1-CE 3.88Å; F2399-M2413 HydrophobicContact CZ-CE 3.64Å; F2399-M2413 HydrophobicContact CZ-SD 4.02Å; D2410-M2413 HydrophobicContact CB-CE 4.18Å; D2410-M2413 VanDerWaalsContact OD2-CE 3.3Å; D2410-M2413 WeakPolarHBondContact OD2-CE 3.48Å; D2410-M2413 PolarHBondContact OD2-N 2.94Å; M2413-L2433 HydrophobicContact SD-CD1 3.72Å; M2413-L2433 HydrophobicContact SD-CD2 4.13Å; M2413-W2435 HydrophobicContact CB-CZ2 4.36Å; M2413-W2435 HydrophobicContact SD-CZ2 4.5Å; M2413-P2443 HydrophobicContact SD-CG 4.3Å; M2413-A2452 HydrophobicContact CE-CB 3.43Å; M2413-A2452 VanDerWaalsContact CE-CB 3.43Å; M2413-I2455 PolarHBondContact O-N 3.42Å | ||
| 2414 | S | 91.2 | Very high | 90.5 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 122.8 | 172.4 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | S2412 Q2457 | S2412-S2414 PolarHBondContact O-N 2.04Å; S2414-Q2457 WeakPolarHBondContact OG-CG 3.45Å; S2414-Q2457 PolarHBondContact OG-NE2 2.04Å |
| 2415 | A | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | P2417 Y2424 W2435 P2454 I2455 N2456 Q2457 | A2415-P2417 WeakPolarHBondContact O-CD 3.25Å; A2415-Y2424 HydrophobicContact CB-CD2 3.86Å; A2415-Y2424 HydrophobicContact CB-CE2 4.46Å; A2415-W2435 HydrophobicContact CB-CB 4.24Å; A2415-W2435 HydrophobicContact CB-CD2 4.08Å; A2415-W2435 HydrophobicContact CB-CG 3.75Å; A2415-P2454 HydrophobicContact CB-CB 3.74Å; A2415-I2455 PolarHBondContact N-O 3.36Å; A2415-N2456 WeakPolarHBondContact O-CA 3.35Å; A2415-Q2457 PolarHBondContact O-N 3.16Å |
| 2416 | N | 89.7 | Confident | 91.1 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | trans | -109.8 | 97.1 | -177.9 | -180 | -2.1 | 0 | 0 | 0 | 111.1 | G2418 E2438 Y2459 | N2416-G2418 VanDerWaalsContact C-N 3.28Å; N2416-G2418 WeakPolarHBondContact OD1-CA 3.08Å; N2416-G2418 PolarHBondContact OD1-N 3.06Å; N2416-E2438 HydrophobicContact CB-CG 4.21Å; N2416-E2438 WeakPolarHBondContact CB-OE1 3.34Å; N2416-E2438 PolarHBondContact ND2-OE1 2.89Å; N2416-Y2459 PolarHBondContact OD1-OH 2.61Å | ||
| 2417 | P | 83.7 | Confident | 91.2 | Very high | 17 Ų | 17 | 22.6 Ų | 22.6 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | trans | -83 | 0.5 | 172.8 | 33.1 | -35.5 | 0 | 0 | 0 | 113.7 | A2415 G2421 A2422 T2423 Y2424 | A2415-P2417 WeakPolarHBondContact O-CD 3.25Å; P2417-G2421 WeakPolarHBondContact O-CA 3.1Å; P2417-A2422 WeakPolarHBondContact CB-O 3.24Å; P2417-T2423 HydrophobicContact CG-CG2 4.1Å; P2417-Y2424 HydrophobicContact CB-CD2 4.11Å; P2417-Y2424 HydrophobicContact CB-CE2 3.98Å | ||
| 2418 | G | 84.8 | Confident | 91.2 | Very high | 23 Ų | 23 | 22.4 Ų | 22.4 | 24% | 0.237 | 13% | 0.13 | C | C | . | . | trans | 82.1 | 173.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N2416 Y2459 R2498 | N2416-G2418 VanDerWaalsContact C-N 3.28Å; N2416-G2418 WeakPolarHBondContact OD1-CA 3.08Å; N2416-G2418 PolarHBondContact OD1-N 3.06Å; G2418-Y2459 WeakPolarHBondContact CA-OH 3.31Å; G2418-R2498 PolarHBondContact O-NH1 3.18Å; G2418-R2498 VanDerWaalsContact O-NH1 3.08Å | ||
| 2419 | R | 82.5 | Confident | 91.1 | Very high | 112 Ų | 112 | 20.9 Ų | 20.9 | 42% | 0.423 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -68 | -41 | -177.5 | -176.8 | -174.7 | 174.7 | -80.5 | 1.7 | 112.8 | Y2459 Y2469 R2498 | R2419-Y2459 HydrophobicContact CB-CD1 3.94Å; R2419-Y2459 HydrophobicContact CB-CE1 3.9Å; R2419-Y2459 HydrophobicContact CB-CG 4.4Å; R2419-Y2459 HydrophobicContact CG-CD1 4.12Å; R2419-Y2459 HydrophobicContact CG-CG 4.37Å; R2419-Y2469 VanDerWaalsContact NE-CZ 3.25Å; R2419-Y2469 PolarHBondContact NE-OH 2.75Å; R2419-R2498 WeakPolarHBondContact O-CD 2.99Å |
| 2420 | D | 80.3 | Confident | 90.9 | Very high | 121 Ų | 121 | 22.4 Ų | 22.4 | 65% | 0.647 | 13% | 0.128 | S | C | * | . | S | Bend | trans | -122.7 | 12.6 | -172.6 | -56.7 | -89.9 | 0 | 0 | 0 | 112.4 | ||
| 2421 | G | 80.5 | Confident | 90.6 | Very high | 25 Ų | 25 | 24.2 Ų | 24.2 | 26% | 0.258 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -86.2 | 167.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P2417 R2498 | P2417-G2421 WeakPolarHBondContact O-CA 3.1Å; G2421-R2498 WeakPolarHBondContact O-CG 3.44Å |
| 2422 | A | 83 | Confident | 90.2 | Very high | 31 Ų | 31 | 28.2 Ų | 28.2 | 26% | 0.256 | 15% | 0.154 | S | C | . | . | P | Polyproline II helix | trans | -67.6 | 142.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F2270 P2417 | F2270-A2422 HydrophobicContact CB-CB 4.25Å; F2270-A2422 HydrophobicContact CD1-CB 4.02Å; F2270-A2422 WeakPolarHBondContact CD1-O 3.02Å; F2270-A2422 HydrophobicContact CD2-CB 4.44Å; F2270-A2422 WeakPolarHBondContact CE1-O 3.48Å; F2270-A2422 HydrophobicContact CG-CB 3.99Å; P2417-A2422 WeakPolarHBondContact CB-O 3.24Å |
| 2423 | T | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -92.8 | 142.2 | -171.5 | 39.5 | 0 | 0 | 0 | 0 | 112.8 | P2417 N2456 R2498 H2499 N2503 A2505 | P2417-T2423 HydrophobicContact CG-CG2 4.1Å; T2423-N2456 WeakPolarHBondContact CA-OD1 3.44Å; T2423-N2456 HydrophobicContact CG2-CB 4.39Å; T2423-R2498 HydrophobicContact CG2-CG 4.03Å; T2423-R2498 VanDerWaalsContact CG2-NE 3.29Å; T2423-H2499 WeakPolarHBondContact CG2-NE2 3.36Å; T2423-N2503 PolarHBondContact O-ND2 2.92Å; T2423-N2503 PolarHBondContact O-OD1 2.88Å; T2423-N2503 PolarHBondContact OG1-OD1 2.03Å; T2423-A2505 WeakPolarHBondContact O-CB 3.32Å |
| 2424 | Y | 95.7 | Very high | 90 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 9% | 0.094 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 132.7 | -177.2 | -66.2 | -77.9 | 0 | 0 | 0 | 111.7 | G2269 F2270 A2415 P2417 W2435 P2454 N2456 | G2269-Y2424 WeakPolarHBondContact O-CA 3.03Å; F2270-Y2424 AromaticContact CD1-CD1 3.96Å; F2270-Y2424 HydrophobicContact CD1-CD1 3.96Å; F2270-Y2424 HydrophobicContact CD1-CE1 4.13Å; F2270-Y2424 HydrophobicContact CD1-CG 4.41Å; F2270-Y2424 AromaticContact CE1-CD1 3.47Å; F2270-Y2424 HydrophobicContact CE1-CD1 3.47Å; F2270-Y2424 VanDerWaalsContact CE1-CD1 3.47Å; F2270-Y2424 HydrophobicContact CE1-CD2 4.1Å; F2270-Y2424 AromaticContact CE1-CE1 3.29Å; F2270-Y2424 HydrophobicContact CE1-CE1 3.29Å; F2270-Y2424 AromaticContact CE1-CE2 3.95Å; F2270-Y2424 HydrophobicContact CE1-CE2 3.95Å; F2270-Y2424 AromaticContact CE1-CG 3.88Å; F2270-Y2424 HydrophobicContact CE1-CG 3.88Å; F2270-Y2424 AromaticContact CE1-CZ 3.55Å; F2270-Y2424 HydrophobicContact CZ-CD1 4.19Å; F2270-Y2424 AromaticContact CZ-CE1 3.53Å; F2270-Y2424 HydrophobicContact CZ-CE1 3.53Å; F2270-Y2424 HydrophobicContact CZ-CE2 4.32Å; F2270-Y2424 AromaticContact CZ-CZ 3.6Å; A2415-Y2424 HydrophobicContact CB-CD2 3.86Å; A2415-Y2424 HydrophobicContact CB-CE2 4.46Å; P2417-Y2424 HydrophobicContact CB-CD2 4.11Å; P2417-Y2424 HydrophobicContact CB-CE2 3.98Å; Y2424-W2435 HydrophobicContact CD1-CB 3.92Å; Y2424-W2435 HydrophobicContact CD1-CE3 4.01Å; Y2424-W2435 HydrophobicContact CD2-CB 3.97Å; Y2424-W2435 HydrophobicContact CE1-CB 3.66Å; Y2424-W2435 HydrophobicContact CE2-CB 3.7Å; Y2424-W2435 HydrophobicContact CG-CB 4.07Å; Y2424-W2435 HydrophobicContact CG-CE3 4.03Å; Y2424-P2454 WeakPolarHBondContact O-CG 3.33Å; Y2424-N2456 PolarHBondContact N-OD1 3.2Å; Y2424-N2456 PolarHBondContact O-ND2 2.86Å |
| 2425 | W | 96.1 | Very high | 90 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -79.4 | 152.2 | 169.5 | -78.5 | 85.9 | 0 | 0 | 0 | 111.4 | Y2264 G2269 E2271 I2272 P2273 V2281 N2503 A2505 P2506 W2552 I2553 | Y2264-W2425 HydrophobicContact CE1-CB 4.29Å; G2269-W2425 PolarHBondContact O-N 3.16Å; E2271-W2425 PolarHBondContact O-NE1 2.8Å; I2272-W2425 HydrophobicContact CG1-CZ2 4.12Å; I2272-W2425 HydrophobicContact CG2-CZ2 4.31Å; P2273-W2425 VanDerWaalsContact CD-CD2 3.45Å; P2273-W2425 VanDerWaalsContact CD-CE3 3.44Å; P2273-W2425 HydrophobicContact CG-CD2 3.99Å; P2273-W2425 HydrophobicContact CG-CE3 3.51Å; P2273-W2425 HydrophobicContact CG-CH2 4.41Å; P2273-W2425 HydrophobicContact CG-CZ3 3.76Å; V2281-W2425 HydrophobicContact CG1-CH2 4.13Å; V2281-W2425 HydrophobicContact CG1-CZ2 4.32Å; W2425-N2503 WeakPolarHBondContact CZ2-O 3.44Å; W2425-N2503 PolarHBondContact NE1-ND2 3.24Å; W2425-A2505 HydrophobicContact CD2-CB 3.96Å; W2425-A2505 HydrophobicContact CG-CB 3.9Å; W2425-A2505 HydrophobicContact CZ2-CB 4.48Å; W2425-P2506 VanDerWaalsContact CE3-CD 3.47Å; W2425-P2506 HydrophobicContact CE3-CG 4.19Å; W2425-P2506 HydrophobicContact CZ3-CG 4.1Å; W2425-W2552 HydrophobicContact CH2-CH2 4.25Å; W2425-W2552 AromaticContact CH2-CZ3 3.71Å; W2425-W2552 HydrophobicContact CH2-CZ3 3.71Å; W2425-W2552 HydrophobicContact CZ3-CE3 4.29Å; W2425-W2552 AromaticContact CZ3-CZ3 3.67Å; W2425-W2552 HydrophobicContact CZ3-CZ3 3.67Å; W2425-I2553 HydrophobicContact CE3-CD1 4.16Å; W2425-I2553 HydrophobicContact CE3-CG1 4.23Å; W2425-I2553 HydrophobicContact CZ3-CD1 4.37Å; W2425-I2553 HydrophobicContact CZ3-CG1 4.09Å |
| 2426 | P | 96.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 139.9 | 165 | -23.9 | 34.3 | 0 | 0 | 0 | 112 | Y2264 W2451 A2452 V2453 P2506 I2553 | Y2264-P2426 VanDerWaalsContact CD1-O 3.27Å; Y2264-P2426 WeakPolarHBondContact CD1-O 3.18Å; P2426-W2451 HydrophobicContact CB-CE3 4.41Å; P2426-A2452 VanDerWaalsContact CA-O 3.27Å; P2426-A2452 WeakPolarHBondContact CA-O 3.17Å; P2426-V2453 HydrophobicContact CB-CG2 4.33Å; P2426-V2453 HydrophobicContact CG-CG1 4.1Å; P2426-P2506 HydrophobicContact CG-CG 4.25Å; P2426-I2553 HydrophobicContact CB-CD1 3.87Å; P2426-I2553 HydrophobicContact CG-CD1 3.59Å |
| 2427 | Q | 94.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 167.5 | 176.5 | 68.5 | 168.8 | 88.9 | 0 | 0 | 110.8 | Y2264 C2265 Q2432 W2435 W2451 A2452 | Y2264-Q2427 CarbonylContact O-C 3.49Å; Y2264-Q2427 WeakPolarHBondContact O-CA 3.1Å; Y2264-Q2427 VanDerWaalsContact O-CB 3.27Å; Y2264-Q2427 WeakPolarHBondContact O-CB 3.33Å; C2265-Q2427 HydrophobicContact CB-CB 4.04Å; Q2427-Q2432 PolarHBondContact NE2-O 3.38Å; Q2427-W2435 HydrophobicContact CG-CH2 3.97Å; Q2427-W2435 HydrophobicContact CG-CZ3 4Å; Q2427-W2451 CarbonylContact O-C 3.42Å; Q2427-W2451 WeakPolarHBondContact O-CA 3.42Å; Q2427-A2452 HydrophobicContact CG-CB 4.19Å; Q2427-A2452 PolarHBondContact N-O 3.41Å; Q2427-A2452 VanDerWaalsContact N-O 3.07Å; Q2427-A2452 PolarHBondContact O-N 2.88Å |
| 2428 | T | 95.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 156.6 | 163.5 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | C2263 Y2264 D2430 I2450 W2451 | C2263-T2428 WeakPolarHBondContact CA-OG1 3.34Å; Y2264-T2428 PolarHBondContact N-OG1 2.86Å; Y2264-T2428 VanDerWaalsContact N-OG1 3.11Å; Y2264-T2428 PolarHBondContact O-N 2.96Å; T2428-D2430 VanDerWaalsContact C-N 3.28Å; T2428-D2430 WeakPolarHBondContact CB-OD2 3.04Å; T2428-D2430 PolarHBondContact O-N 3.37Å; T2428-D2430 PolarHBondContact OG1-OD2 2.8Å; T2428-I2450 CarbonylContact C-O 3.57Å; T2428-I2450 VanDerWaalsContact CA-O 3.24Å; T2428-I2450 WeakPolarHBondContact CA-O 3.38Å; T2428-W2451 HydrophobicContact CG2-CD2 3.57Å; T2428-W2451 HydrophobicContact CG2-CE3 4Å; T2428-W2451 HydrophobicContact CG2-CG 4.01Å; T2428-W2451 HydrophobicContact CG2-CH2 3.97Å; T2428-W2451 HydrophobicContact CG2-CZ2 3.51Å; T2428-W2451 HydrophobicContact CG2-CZ3 4.18Å |
| 2429 | L | 94.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 16.8 | -179.1 | -68.4 | 176.9 | 0 | 0 | 0 | 113.7 | F2399 Y2431 L2433 P2443 S2446 F2447 I2450 A2452 | F2399-L2429 HydrophobicContact CB-CD1 4.38Å; F2399-L2429 HydrophobicContact CD1-CD1 3.3Å; F2399-L2429 HydrophobicContact CD2-CD1 4.45Å; F2399-L2429 HydrophobicContact CE1-CD1 3.6Å; F2399-L2429 HydrophobicContact CG-CD1 3.78Å; F2399-L2429 HydrophobicContact CZ-CD1 4.32Å; L2429-Y2431 PolarHBondContact O-N 3Å; L2429-L2433 HydrophobicContact CD2-CD2 3.64Å; L2429-L2433 HydrophobicContact CD2-CG 4.4Å; L2429-P2443 HydrophobicContact CD2-CG 4.25Å; L2429-S2446 CarbonylContact O-C 3.58Å; L2429-S2446 WeakPolarHBondContact O-CA 3.31Å; L2429-F2447 HydrophobicContact CB-CB 4.04Å; L2429-F2447 PolarHBondContact O-N 2.83Å; L2429-I2450 HydrophobicContact CD1-CB 4.23Å; L2429-I2450 HydrophobicContact CD1-CG2 3.97Å; L2429-I2450 PolarHBondContact N-O 2.93Å; L2429-A2452 HydrophobicContact CD2-CB 3.91Å; L2429-A2452 HydrophobicContact CG-CB 4.12Å |
| 2430 | D | 93 | Very high | 87.9 | Confident | 32 Ų | 32 | 43.4 Ų | 43.4 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.7 | 168.8 | -59.6 | -101.8 | 0 | 0 | 0 | 111.9 | T2428 S2446 P2448 | T2428-D2430 VanDerWaalsContact C-N 3.28Å; T2428-D2430 WeakPolarHBondContact CB-OD2 3.04Å; T2428-D2430 PolarHBondContact O-N 3.37Å; T2428-D2430 PolarHBondContact OG1-OD2 2.8Å; D2430-S2446 WeakPolarHBondContact O-CB 3.4Å; D2430-S2446 PolarHBondContact O-OG 2.82Å; D2430-P2448 VanDerWaalsContact OD1-CA 3.29Å; D2430-P2448 WeakPolarHBondContact OD1-CA 3.31Å; D2430-P2448 WeakPolarHBondContact OD1-CB 3.48Å |
| 2431 | Y | 91.2 | Very high | 88.2 | Confident | 38 Ų | 38 | 39.7 Ų | 39.7 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -128.9 | 172.2 | -178.2 | -64.5 | -88.7 | 0 | 0 | 0 | 111.1 | E2246 P2249 C2258 L2429 | E2246-Y2431 HydrophobicContact CB-CD1 4.32Å; E2246-Y2431 WeakPolarHBondContact O-CA 3.24Å; E2246-Y2431 WeakPolarHBondContact O-CB 3.45Å; E2246-Y2431 WeakPolarHBondContact O-CD1 3.44Å; P2249-Y2431 HydrophobicContact CG-CD1 4.43Å; P2249-Y2431 HydrophobicContact CG-CE1 3.71Å; P2249-Y2431 HydrophobicContact CG-CE2 4.11Å; P2249-Y2431 WeakPolarHBondContact CG-OH 3Å; C2258-Y2431 HydrophobicContact CB-CD2 4.47Å; C2258-Y2431 HydrophobicContact CB-CE2 3.84Å; L2429-Y2431 PolarHBondContact O-N 3Å |
| 2432 | Q | 88.8 | Confident | 88.4 | Confident | 84 Ų | 84 | 40.7 Ų | 40.7 | 39% | 0.393 | 23% | 0.226 | S | C | . | . | trans | -55.2 | 151.3 | 179.1 | -69 | 173.3 | 3.4 | 0 | 0 | 112.8 | A2245 E2246 Q2427 | A2245-Q2432 HydrophobicContact CB-CG 3.84Å; A2245-Q2432 WeakPolarHBondContact O-CG 3.41Å; A2245-Q2432 PolarHBondContact O-NE2 3.48Å; E2246-Q2432 WeakPolarHBondContact O-CG 3.31Å; E2246-Q2432 PolarHBondContact O-N 3.33Å; Q2427-Q2432 PolarHBondContact NE2-O 3.38Å | ||
| 2433 | L | 91.8 | Very high | 88.7 | Confident | 32 Ų | 32 | 40 Ų | 40 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | trans | -62.8 | 134 | 171.9 | -67.5 | 177.6 | 0 | 0 | 0 | 110.9 | M2413 L2429 W2435 P2443 A2452 | M2413-L2433 HydrophobicContact SD-CD1 3.72Å; M2413-L2433 HydrophobicContact SD-CD2 4.13Å; L2429-L2433 HydrophobicContact CD2-CD2 3.64Å; L2429-L2433 HydrophobicContact CD2-CG 4.4Å; L2433-W2435 VanDerWaalsContact C-N 3.3Å; L2433-W2435 WeakPolarHBondContact CB-O 3.27Å; L2433-W2435 HydrophobicContact CD2-CH2 4.05Å; L2433-W2435 HydrophobicContact CD2-CZ2 3.7Å; L2433-P2443 HydrophobicContact CD1-CG 3.75Å; L2433-P2443 HydrophobicContact CG-CG 4.14Å; L2433-A2452 HydrophobicContact CD2-CB 4.1Å | ||
| 2434 | A | 90.6 | Very high | 88.4 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 21% | 0.207 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -74.7 | -19.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | S2266 G2269 | S2266-A2434 WeakPolarHBondContact O-CB 3.05Å; G2269-A2434 VanDerWaalsContact CA-CB 3.46Å |
| 2435 | W | 90.6 | Very high | 88.1 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 2% | 0.023 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -107.3 | 145.9 | 173.3 | 61.1 | 88.6 | 0 | 0 | 0 | 111.2 | M2413 A2415 Y2424 Q2427 L2433 A2452 P2454 | M2413-W2435 HydrophobicContact CB-CZ2 4.36Å; M2413-W2435 HydrophobicContact SD-CZ2 4.5Å; A2415-W2435 HydrophobicContact CB-CB 4.24Å; A2415-W2435 HydrophobicContact CB-CD2 4.08Å; A2415-W2435 HydrophobicContact CB-CG 3.75Å; Y2424-W2435 HydrophobicContact CD1-CB 3.92Å; Y2424-W2435 HydrophobicContact CD1-CE3 4.01Å; Y2424-W2435 HydrophobicContact CD2-CB 3.97Å; Y2424-W2435 HydrophobicContact CE1-CB 3.66Å; Y2424-W2435 HydrophobicContact CE2-CB 3.7Å; Y2424-W2435 HydrophobicContact CG-CB 4.07Å; Y2424-W2435 HydrophobicContact CG-CE3 4.03Å; Q2427-W2435 HydrophobicContact CG-CH2 3.97Å; Q2427-W2435 HydrophobicContact CG-CZ3 4Å; L2433-W2435 VanDerWaalsContact C-N 3.3Å; L2433-W2435 WeakPolarHBondContact CB-O 3.27Å; L2433-W2435 HydrophobicContact CD2-CH2 4.05Å; L2433-W2435 HydrophobicContact CD2-CZ2 3.7Å; W2435-A2452 HydrophobicContact CH2-CB 3.95Å; W2435-A2452 HydrophobicContact CZ2-CB 4.16Å; W2435-P2454 HydrophobicContact CD2-CB 4.28Å; W2435-P2454 HydrophobicContact CE3-CB 4.25Å; W2435-P2454 HydrophobicContact CE3-CG 4.41Å; W2435-P2454 HydrophobicContact CH2-CB 3.72Å; W2435-P2454 HydrophobicContact CH2-CG 3.8Å; W2435-P2454 HydrophobicContact CZ2-CB 3.74Å; W2435-P2454 HydrophobicContact CZ2-CG 4.34Å; W2435-P2454 HydrophobicContact CZ3-CB 3.98Å; W2435-P2454 HydrophobicContact CZ3-CG 3.83Å |
| 2436 | P | 83 | Confident | 87.7 | Confident | 92 Ų | 92 | 44.9 Ų | 44.9 | 60% | 0.597 | 25% | 0.247 | S | C | * | . | trans | -69.1 | 138.4 | 166.1 | 30.2 | -33.5 | 0 | 0 | 0 | 110.1 | ||||
| 2437 | C | 80.8 | Confident | 87.6 | Confident | 33 Ų | 33 | 44.9 Ų | 44.9 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | trans | -69.8 | 135.6 | 166.6 | -30 | 0 | 0 | 0 | 0 | 108.7 | V2439 C2442 | C2437-V2439 VanDerWaalsContact C-N 3.26Å; C2437-V2439 WeakPolarHBondContact CB-O 3.36Å; C2437-C2442 HydrophobicContact CB-CB 4.44Å; C2437-C2442 WeakPolarHBondContact CB-SG 3.46Å; C2437-C2442 WeakPolarHBondContact SG-CB 3.34Å; C2437-C2442 CovalentContact SG-SG 2.04Å; C2437-C2442 PolarHBondContact SG-SG 2.79Å | ||
| 2438 | E | 75.6 | Confident | 87.4 | Confident | 82 Ų | 82 | 47.7 Ų | 47.7 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -79.6 | -9.9 | 170.8 | -62.4 | -147.5 | 137.9 | 0 | 0 | 113.4 | N2416 Q2457 R2471 | N2416-E2438 HydrophobicContact CB-CG 4.21Å; N2416-E2438 WeakPolarHBondContact CB-OE1 3.34Å; N2416-E2438 PolarHBondContact ND2-OE1 2.89Å; E2438-Q2457 PolarHBondContact OE2-NE2 3.49Å; E2438-R2471 IonicContact OE1-CZ 3.24Å; E2438-R2471 IonicContact OE1-NH2 3.75Å; E2438-R2471 PolarHBondContact OE1-NH2 3.37Å; E2438-R2471 IonicContact OE2-CZ 2.72Å; E2438-R2471 IonicContact OE2-NE 3.71Å; E2438-R2471 IonicContact OE2-NH2 3.34Å; E2438-R2471 PolarHBondContact OE2-NH2 3.23Å |
| 2439 | V | 74.3 | Confident | 86.9 | Confident | 102 Ų | 102 | 49.4 Ų | 49.4 | 62% | 0.618 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -138.1 | 126.7 | -178.7 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | C2437 | C2437-V2439 VanDerWaalsContact C-N 3.26Å; C2437-V2439 WeakPolarHBondContact CB-O 3.36Å |
| 2440 | E | 75.8 | Confident | 87 | Confident | 170 Ų | 170 | 49.4 Ų | 49.4 | 79% | 0.794 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -81.7 | 153.9 | 170.7 | -72.7 | -176.9 | 175.1 | 0 | 0 | 110.8 | ||
| 2441 | P | 84.9 | Confident | 87.2 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 29% | 0.286 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | cis | -86.4 | 130.9 | 3.7 | 31.5 | -34.6 | 0 | 0 | 0 | 115.2 | V2393 G2395 | V2393-P2441 WeakPolarHBondContact O-CD 3.08Å; G2395-P2441 VanDerWaalsContact CA-O 3.23Å; G2395-P2441 WeakPolarHBondContact CA-O 3.37Å; G2395-P2441 PolarHBondContact N-O 3.25Å; G2395-P2441 VanDerWaalsContact N-O 3.15Å |
| 2442 | C | 85 | Confident | 87.4 | Confident | 46 Ų | 46 | 46 Ų | 46 | 31% | 0.311 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 162.7 | 167.8 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | G2395 C2437 | G2395-C2442 WeakPolarHBondContact CA-O 3.22Å; C2437-C2442 HydrophobicContact CB-CB 4.44Å; C2437-C2442 WeakPolarHBondContact CB-SG 3.46Å; C2437-C2442 WeakPolarHBondContact SG-CB 3.34Å; C2437-C2442 CovalentContact SG-SG 2.04Å; C2437-C2442 PolarHBondContact SG-SG 2.79Å |
| 2443 | P | 90.6 | Very high | 87.8 | Confident | 17 Ų | 17 | 42 Ų | 42 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 131.7 | 152.8 | 28.8 | -29.4 | 0 | 0 | 0 | 110.7 | N2396 F2399 M2413 L2429 L2433 | N2396-P2443 WeakPolarHBondContact OD1-CA 3.08Å; F2399-P2443 HydrophobicContact CD2-CB 3.67Å; F2399-P2443 HydrophobicContact CD2-CG 4.17Å; F2399-P2443 HydrophobicContact CE2-CB 3.8Å; F2399-P2443 HydrophobicContact CE2-CG 3.78Å; F2399-P2443 HydrophobicContact CZ-CG 4.37Å; M2413-P2443 HydrophobicContact SD-CG 4.3Å; L2429-P2443 HydrophobicContact CD2-CG 4.25Å; L2433-P2443 HydrophobicContact CD1-CG 3.75Å; L2433-P2443 HydrophobicContact CG-CG 4.14Å |
| 2444 | D | 86 | Confident | 88 | Confident | 86 Ų | 86 | 40.6 Ų | 40.6 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | trans | -118.3 | -10.1 | 168 | 73.8 | 16 | 0 | 0 | 0 | 113.1 | L2244 A2245 N2396 | L2244-D2444 HydrophobicContact CD1-CB 4.1Å; L2244-D2444 WeakPolarHBondContact CD1-O 3.42Å; A2245-D2444 PolarHBondContact N-O 3.45Å; N2396-D2444 PolarHBondContact ND2-OD1 3.37Å; N2396-D2444 PolarHBondContact OD1-N 2.95Å | ||
| 2445 | Q | 90 | Very high | 88.2 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -96.7 | 154.1 | 175.9 | -76.7 | 169.2 | 27.2 | 0 | 0 | 112.1 | T2243 N2396 F2447 | T2243-Q2445 CarbonylContact O-C 3.58Å; T2243-Q2445 VanDerWaalsContact O-CA 3.31Å; T2243-Q2445 WeakPolarHBondContact O-CA 3.04Å; N2396-Q2445 PolarHBondContact ND2-NE2 3.29Å; N2396-Q2445 PolarHBondContact OD1-N 3.14Å; N2396-Q2445 VanDerWaalsContact OD1-N 3.09Å; Q2445-F2447 HydrophobicContact CB-CE2 3.67Å; Q2445-F2447 HydrophobicContact CB-CZ 3.71Å; Q2445-F2447 WeakPolarHBondContact O-CD2 3.38Å; Q2445-F2447 VanDerWaalsContact O-CE2 3.27Å; Q2445-F2447 WeakPolarHBondContact O-CE2 3.47Å |
| 2446 | S | 88.9 | Confident | 88.4 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | trans | -75.2 | 127.1 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | T2243 L2429 D2430 P2448 | T2243-S2446 PolarHBondContact O-N 2.89Å; L2429-S2446 CarbonylContact O-C 3.58Å; L2429-S2446 WeakPolarHBondContact O-CA 3.31Å; D2430-S2446 WeakPolarHBondContact O-CB 3.4Å; D2430-S2446 PolarHBondContact O-OG 2.82Å; S2446-P2448 WeakPolarHBondContact OG-CD 3.44Å | ||
| 2447 | F | 94.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 73.1 | 174.6 | -59.4 | -77.1 | 0 | 0 | 0 | 111.4 | N2396 F2399 A2400 L2429 Q2445 G2449 I2450 | N2396-F2447 HydrophobicContact CB-CE2 4.37Å; N2396-F2447 HydrophobicContact CB-CZ 4.03Å; F2399-F2447 HydrophobicContact CB-CB 4.32Å; F2399-F2447 HydrophobicContact CB-CD1 4.09Å; F2399-F2447 HydrophobicContact CB-CD2 3.44Å; F2399-F2447 VanDerWaalsContact CB-CD2 3.44Å; F2399-F2447 HydrophobicContact CB-CE1 4.3Å; F2399-F2447 HydrophobicContact CB-CE2 3.67Å; F2399-F2447 HydrophobicContact CB-CG 3.67Å; F2399-F2447 HydrophobicContact CB-CZ 4.1Å; F2399-F2447 HydrophobicContact CG-CD2 4.3Å; A2400-F2447 HydrophobicContact CB-CE1 3.76Å; A2400-F2447 HydrophobicContact CB-CZ 4.3Å; L2429-F2447 HydrophobicContact CB-CB 4.04Å; L2429-F2447 PolarHBondContact O-N 2.83Å; Q2445-F2447 HydrophobicContact CB-CE2 3.67Å; Q2445-F2447 HydrophobicContact CB-CZ 3.71Å; Q2445-F2447 WeakPolarHBondContact O-CD2 3.38Å; Q2445-F2447 VanDerWaalsContact O-CE2 3.27Å; Q2445-F2447 WeakPolarHBondContact O-CE2 3.47Å; F2447-G2449 PolarHBondContact O-N 2.82Å; F2447-I2450 HydrophobicContact CB-CD1 3.96Å; F2447-I2450 HydrophobicContact CB-CG1 4.44Å; F2447-I2450 PolarHBondContact O-N 2.83Å |
| 2448 | P | 90.2 | Very high | 89.5 | Confident | 62 Ų | 62 | 33.6 Ų | 33.6 | 40% | 0.403 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.9 | 137.4 | -179.4 | -34.3 | 39.6 | 0 | 0 | 0 | 114.6 | Q2403 D2430 S2446 I2450 | Q2403-P2448 PolarHBondContact NE2-O 2.77Å; Q2403-P2448 VanDerWaalsContact NE2-O 3.12Å; D2430-P2448 VanDerWaalsContact OD1-CA 3.29Å; D2430-P2448 WeakPolarHBondContact OD1-CA 3.31Å; D2430-P2448 WeakPolarHBondContact OD1-CB 3.48Å; S2446-P2448 WeakPolarHBondContact OG-CD 3.44Å; P2448-I2450 VanDerWaalsContact C-N 3.32Å; P2448-I2450 PolarHBondContact O-N 2.79Å |
| 2449 | G | 85.4 | Confident | 90.3 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 38% | 0.381 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.3 | -10.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | F2447 | F2447-G2449 PolarHBondContact O-N 2.82Å |
| 2450 | I | 95.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 130.4 | 171 | -56.8 | -178.1 | 0 | 0 | 0 | 109.7 | F2399 M2402 Q2403 T2428 L2429 F2447 P2448 | F2399-I2450 HydrophobicContact CB-CD1 4.26Å; F2399-I2450 HydrophobicContact CD1-CG2 4.37Å; F2399-I2450 WeakPolarHBondContact O-CD1 3.48Å; M2402-I2450 HydrophobicContact CB-CD1 3.72Å; M2402-I2450 HydrophobicContact CE-CG2 3.92Å; Q2403-I2450 HydrophobicContact CB-CD1 3.95Å; T2428-I2450 CarbonylContact C-O 3.57Å; T2428-I2450 VanDerWaalsContact CA-O 3.24Å; T2428-I2450 WeakPolarHBondContact CA-O 3.38Å; L2429-I2450 HydrophobicContact CD1-CB 4.23Å; L2429-I2450 HydrophobicContact CD1-CG2 3.97Å; L2429-I2450 PolarHBondContact N-O 2.93Å; F2447-I2450 HydrophobicContact CB-CD1 3.96Å; F2447-I2450 HydrophobicContact CB-CG1 4.44Å; F2447-I2450 PolarHBondContact O-N 2.83Å; P2448-I2450 VanDerWaalsContact C-N 3.32Å; P2448-I2450 PolarHBondContact O-N 2.79Å |
| 2451 | W | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 120.3 | 174.4 | -71.2 | 72.7 | 0 | 0 | 0 | 111.6 | L2260 T2408 Y2409 D2410 P2426 Q2427 T2428 I2550 I2553 R2554 | L2260-W2451 HydrophobicContact CD2-CH2 4.15Å; T2408-W2451 PolarHBondContact O-N 2.04Å; Y2409-W2451 CarbonylContact C-O 3.59Å; Y2409-W2451 WeakPolarHBondContact CA-O 3.46Å; Y2409-W2451 WeakPolarHBondContact CB-O 3.44Å; D2410-W2451 PolarHBondContact N-O 3.34Å; P2426-W2451 HydrophobicContact CB-CE3 4.41Å; Q2427-W2451 CarbonylContact O-C 3.42Å; Q2427-W2451 WeakPolarHBondContact O-CA 3.42Å; T2428-W2451 HydrophobicContact CG2-CD2 3.57Å; T2428-W2451 HydrophobicContact CG2-CE3 4Å; T2428-W2451 HydrophobicContact CG2-CG 4.01Å; T2428-W2451 HydrophobicContact CG2-CH2 3.97Å; T2428-W2451 HydrophobicContact CG2-CZ2 3.51Å; T2428-W2451 HydrophobicContact CG2-CZ3 4.18Å; W2451-I2550 HydrophobicContact CB-CD1 4.05Å; W2451-I2550 HydrophobicContact CD2-CG2 3.93Å; W2451-I2550 HydrophobicContact CE3-CG2 4.4Å; W2451-I2550 HydrophobicContact CG-CD1 4.38Å; W2451-I2550 HydrophobicContact CG-CG2 4.12Å; W2451-I2553 HydrophobicContact CH2-CG2 3.73Å; W2451-I2553 HydrophobicContact CZ3-CB 4.36Å; W2451-I2553 HydrophobicContact CZ3-CG2 3.5Å; W2451-R2554 VanDerWaalsContact CD1-NH2 3.34Å; W2451-R2554 HydrophobicContact CH2-CG 4.32Å; W2451-R2554 HydrophobicContact CZ2-CG 3.76Å |
| 2452 | A | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 109.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | M2413 P2426 Q2427 L2429 L2433 W2435 P2454 | M2413-A2452 HydrophobicContact CE-CB 3.43Å; M2413-A2452 VanDerWaalsContact CE-CB 3.43Å; P2426-A2452 VanDerWaalsContact CA-O 3.27Å; P2426-A2452 WeakPolarHBondContact CA-O 3.17Å; Q2427-A2452 HydrophobicContact CG-CB 4.19Å; Q2427-A2452 PolarHBondContact N-O 3.41Å; Q2427-A2452 VanDerWaalsContact N-O 3.07Å; Q2427-A2452 PolarHBondContact O-N 2.88Å; L2429-A2452 HydrophobicContact CD2-CB 3.91Å; L2429-A2452 HydrophobicContact CG-CB 4.12Å; L2433-A2452 HydrophobicContact CD2-CB 4.1Å; W2435-A2452 HydrophobicContact CH2-CB 3.95Å; W2435-A2452 HydrophobicContact CZ2-CB 4.16Å; A2452-P2454 WeakPolarHBondContact O-CD 3.47Å |
| 2453 | V | 97.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -98.1 | 103.4 | 176.4 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | M2286 Y2409 D2410 N2411 P2426 V2508 I2546 I2550 | M2286-V2453 HydrophobicContact SD-CG1 4.09Å; Y2409-V2453 HydrophobicContact CD2-CG2 4.27Å; D2410-V2453 WeakPolarHBondContact O-CB 3.38Å; D2410-V2453 PolarHBondContact O-N 2.75Å; N2411-V2453 HydrophobicContact CB-CB 4.11Å; N2411-V2453 WeakPolarHBondContact ND2-CG1 3.39Å; N2411-V2453 PolarHBondContact ND2-O 2.83Å; P2426-V2453 HydrophobicContact CB-CG2 4.33Å; P2426-V2453 HydrophobicContact CG-CG1 4.1Å; V2453-V2508 HydrophobicContact CG1-CG2 3.98Å; V2453-I2546 HydrophobicContact CG1-CG2 4.44Å; V2453-I2546 HydrophobicContact CG2-CG2 3.98Å; V2453-I2550 HydrophobicContact CG2-CD1 3.9Å; V2453-I2550 HydrophobicContact CG2-CG1 4.34Å | ||
| 2454 | P | 95.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | trans | -71.9 | 132.6 | -174.6 | 26.4 | -33.1 | 0 | 0 | 0 | 112.3 | A2415 Y2424 W2435 A2452 N2456 | A2415-P2454 HydrophobicContact CB-CB 3.74Å; Y2424-P2454 WeakPolarHBondContact O-CG 3.33Å; W2435-P2454 HydrophobicContact CD2-CB 4.28Å; W2435-P2454 HydrophobicContact CE3-CB 4.25Å; W2435-P2454 HydrophobicContact CE3-CG 4.41Å; W2435-P2454 HydrophobicContact CH2-CB 3.72Å; W2435-P2454 HydrophobicContact CH2-CG 3.8Å; W2435-P2454 HydrophobicContact CZ2-CB 3.74Å; W2435-P2454 HydrophobicContact CZ2-CG 4.34Å; W2435-P2454 HydrophobicContact CZ3-CB 3.98Å; W2435-P2454 HydrophobicContact CZ3-CG 3.83Å; A2452-P2454 WeakPolarHBondContact O-CD 3.47Å; P2454-N2456 PolarHBondContact O-N 2.93Å | ||
| 2455 | I | 95.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 93.5 | 165.4 | -55 | 169.9 | 0 | 0 | 0 | 107.3 | M2391 M2413 A2415 Q2457 F2458 A2473 T2510 | M2391-I2455 HydrophobicContact CE-CD1 3.4Å; M2391-I2455 HydrophobicContact SD-CD1 3.52Å; M2391-I2455 VanDerWaalsContact SD-CD1 3.52Å; M2413-I2455 PolarHBondContact O-N 3.42Å; A2415-I2455 PolarHBondContact N-O 3.36Å; I2455-Q2457 PolarHBondContact O-N 2.69Å; I2455-Q2457 VanDerWaalsContact O-N 3.14Å; I2455-F2458 HydrophobicContact CG2-CE2 4.44Å; I2455-A2473 HydrophobicContact CD1-CB 4.47Å; I2455-A2473 HydrophobicContact CG2-CB 4.05Å; I2455-A2473 VanDerWaalsContact CG2-O 3.28Å; I2455-A2473 WeakPolarHBondContact CG2-O 3.36Å; I2455-T2510 HydrophobicContact CD1-CG2 4.13Å; I2455-T2510 HydrophobicContact CG1-CG2 4.19Å; I2455-T2510 HydrophobicContact CG2-CG2 4.06Å |
| 2456 | N | 94.3 | Very high | 88.7 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 107.9 | 176 | -78.6 | -91.8 | 0 | 0 | 0 | 109.7 | A2415 T2423 Y2424 P2454 R2498 | A2415-N2456 WeakPolarHBondContact O-CA 3.35Å; T2423-N2456 WeakPolarHBondContact CA-OD1 3.44Å; T2423-N2456 HydrophobicContact CG2-CB 4.39Å; Y2424-N2456 PolarHBondContact N-OD1 3.2Å; Y2424-N2456 PolarHBondContact O-ND2 2.86Å; P2454-N2456 PolarHBondContact O-N 2.93Å; N2456-R2498 PolarHBondContact O-NH2 3.21Å |
| 2457 | Q | 93.6 | Very high | 88 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | trans | -50.5 | 137.9 | -166.6 | -72.3 | -176.4 | 16.6 | 0 | 0 | 114.4 | S2414 A2415 E2438 I2455 Y2459 G2472 R2498 | S2414-Q2457 WeakPolarHBondContact OG-CG 3.45Å; S2414-Q2457 PolarHBondContact OG-NE2 2.04Å; A2415-Q2457 PolarHBondContact O-N 3.16Å; E2438-Q2457 PolarHBondContact OE2-NE2 3.49Å; I2455-Q2457 PolarHBondContact O-N 2.69Å; I2455-Q2457 VanDerWaalsContact O-N 3.14Å; Q2457-Y2459 HydrophobicContact CB-CE2 4.47Å; Q2457-Y2459 WeakPolarHBondContact O-CD2 3.29Å; Q2457-G2472 WeakPolarHBondContact CA-O 3.04Å; Q2457-R2498 PolarHBondContact O-NH1 3.26Å; Q2457-R2498 PolarHBondContact O-NH2 3.13Å | ||
| 2458 | F | 94.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 138.2 | 172.5 | -61 | -87.2 | 0 | 0 | 0 | 110.3 | I2455 R2471 G2472 A2473 V2475 A2478 N2495 F2507 V2508 L2509 T2510 | I2455-F2458 HydrophobicContact CG2-CE2 4.44Å; F2458-R2471 WeakPolarHBondContact O-CA 3.34Å; F2458-R2471 WeakPolarHBondContact O-CB 3.18Å; F2458-G2472 PolarHBondContact N-O 2.85Å; F2458-G2472 PolarHBondContact O-N 3Å; F2458-A2473 VanDerWaalsContact CD2-O 3.31Å; F2458-A2473 WeakPolarHBondContact CD2-O 3.22Å; F2458-A2473 WeakPolarHBondContact CE2-O 3.41Å; F2458-V2475 HydrophobicContact CD1-CG2 3.9Å; F2458-V2475 HydrophobicContact CD2-CG2 4.01Å; F2458-V2475 HydrophobicContact CE1-CG2 3.66Å; F2458-V2475 HydrophobicContact CE2-CG2 3.8Å; F2458-V2475 HydrophobicContact CG-CG2 4.08Å; F2458-V2475 HydrophobicContact CZ-CG2 3.62Å; F2458-A2478 HydrophobicContact CB-CB 3.57Å; F2458-A2478 WeakPolarHBondContact O-CB 3.24Å; F2458-N2495 WeakPolarHBondContact CA-OD1 3.03Å; F2458-N2495 HydrophobicContact CD1-CB 4.05Å; F2458-F2507 HydrophobicContact CD1-CE2 4.34Å; F2458-F2507 HydrophobicContact CD1-CZ 4.41Å; F2458-F2507 AromaticContact CE1-CE2 3.67Å; F2458-F2507 HydrophobicContact CE1-CE2 3.67Å; F2458-F2507 AromaticContact CE1-CZ 3.67Å; F2458-F2507 HydrophobicContact CE1-CZ 3.67Å; F2458-F2507 HydrophobicContact CZ-CE2 4.45Å; F2458-V2508 WeakPolarHBondContact CZ-O 2.97Å; F2458-L2509 HydrophobicContact CE1-CD1 3.9Å; F2458-L2509 HydrophobicContact CZ-CD1 3.99Å; F2458-T2510 WeakPolarHBondContact CE2-OG1 3.41Å |
| 2459 | Y | 92.9 | Very high | 86.9 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.2 | 171.6 | -72.9 | -105.1 | 0 | 0 | 0 | 109.7 | N2416 G2418 R2419 Q2457 Y2469 R2471 N2495 R2498 | N2416-Y2459 PolarHBondContact OD1-OH 2.61Å; G2418-Y2459 WeakPolarHBondContact CA-OH 3.31Å; R2419-Y2459 HydrophobicContact CB-CD1 3.94Å; R2419-Y2459 HydrophobicContact CB-CE1 3.9Å; R2419-Y2459 HydrophobicContact CB-CG 4.4Å; R2419-Y2459 HydrophobicContact CG-CD1 4.12Å; R2419-Y2459 HydrophobicContact CG-CG 4.37Å; Q2457-Y2459 HydrophobicContact CB-CE2 4.47Å; Q2457-Y2459 WeakPolarHBondContact O-CD2 3.29Å; Y2459-Y2469 HydrophobicContact CD1-CG 4.28Å; Y2459-R2471 HydrophobicContact CD1-CB 4.42Å; Y2459-R2471 HydrophobicContact CE1-CB 4.49Å; Y2459-N2495 PolarHBondContact N-ND2 3.43Å; Y2459-N2495 PolarHBondContact N-OD1 3.33Å; Y2459-N2495 PolarHBondContact O-ND2 3.29Å; Y2459-R2498 VanDerWaalsContact CD2-NH1 3.31Å; Y2459-R2498 VanDerWaalsContact CE2-NH1 3.31Å |
| 2460 | G | 90.8 | Very high | 87 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -140.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y2469 R2470 A2478 | G2460-Y2469 WeakPolarHBondContact O-CD1 3.4Å; G2460-R2470 PolarHBondContact N-O 2.93Å; G2460-A2478 WeakPolarHBondContact CA-O 3.03Å |
| 2461 | D | 85 | Confident | 86.7 | Confident | 81 Ų | 81 | 59.4 Ų | 59.4 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 154.5 | -174.2 | -52.6 | -58 | 0 | 0 | 0 | 113.4 | R2470 | D2461-R2470 WeakPolarHBondContact O-CB 3.03Å; D2461-R2470 PolarHBondContact O-N 3.21Å |
| 2462 | Y | 82.5 | Confident | 86.4 | Confident | 100 Ų | 100 | 60 Ų | 60 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 120.3 | 173.7 | -172.1 | -104.9 | 0 | 0 | 0 | 110.9 | N2464 Q2467 Y2469 | Y2462-N2464 VanDerWaalsContact CD1-OD1 3.29Å; Y2462-N2464 WeakPolarHBondContact CD1-OD1 3.41Å; Y2462-N2464 WeakPolarHBondContact CE1-OD1 3.47Å; Y2462-N2464 PolarHBondContact O-N 3.17Å; Y2462-Q2467 VanDerWaalsContact OH-CA 3.3Å; Y2462-Q2467 WeakPolarHBondContact OH-CA 3.22Å; Y2462-Q2467 PolarHBondContact OH-O 3.08Å; Y2462-Y2469 HydrophobicContact CD2-CD1 4.15Å; Y2462-Y2469 AromaticContact CD2-CD2 3.73Å; Y2462-Y2469 HydrophobicContact CD2-CD2 3.73Å; Y2462-Y2469 HydrophobicContact CD2-CE1 4.11Å; Y2462-Y2469 AromaticContact CD2-CE2 3.66Å; Y2462-Y2469 HydrophobicContact CD2-CE2 3.66Å; Y2462-Y2469 AromaticContact CD2-CG 3.97Å; Y2462-Y2469 HydrophobicContact CD2-CG 3.97Å; Y2462-Y2469 AromaticContact CD2-CZ 3.85Å; Y2462-Y2469 HydrophobicContact CE2-CD2 4.3Å; Y2462-Y2469 HydrophobicContact CE2-CE2 4.19Å; Y2462-Y2469 HydrophobicContact CG-CE1 4.4Å |
| 2463 | I | 77 | Confident | 86.2 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 100.8 | 177.4 | -44 | 175.6 | 0 | 0 | 0 | 108.5 | E2465 F2466 Q2467 Q2468 R2470 | I2463-E2465 HydrophobicContact CG2-CB 4.17Å; I2463-E2465 PolarHBondContact O-N 2.89Å; I2463-E2465 VanDerWaalsContact O-N 3.16Å; I2463-F2466 HydrophobicContact CB-CD2 4.15Å; I2463-F2466 HydrophobicContact CD1-CD2 4.22Å; I2463-F2466 HydrophobicContact CG2-CD2 3.66Å; I2463-F2466 HydrophobicContact CG2-CE2 4.16Å; I2463-F2466 PolarHBondContact O-N 2.89Å; I2463-F2466 VanDerWaalsContact O-N 3.12Å; I2463-Q2467 PolarHBondContact O-N 2.04Å; I2463-Q2468 PolarHBondContact N-O 2.84Å; I2463-Q2468 PolarHBondContact O-N 2.77Å; I2463-R2470 HydrophobicContact CD1-CB 3.94Å; I2463-R2470 HydrophobicContact CD1-CG 4.25Å; I2463-R2470 HydrophobicContact CG1-CB 4.13Å |
| 2464 | N | 73.2 | Confident | 86 | Confident | 129 Ų | 129 | 62.4 Ų | 62.4 | 69% | 0.69 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -52.7 | -36.9 | -179.8 | -69.4 | -35.4 | 0 | 0 | 0 | 113 | Y2462 F2466 Q2467 | Y2462-N2464 VanDerWaalsContact CD1-OD1 3.29Å; Y2462-N2464 WeakPolarHBondContact CD1-OD1 3.41Å; Y2462-N2464 WeakPolarHBondContact CE1-OD1 3.47Å; Y2462-N2464 PolarHBondContact O-N 3.17Å; N2464-F2466 VanDerWaalsContact C-N 3.28Å; N2464-F2466 PolarHBondContact O-N 3.11Å; N2464-Q2467 PolarHBondContact O-N 3.14Å |
| 2465 | E | 72 | Confident | 85.8 | Confident | 169 Ų | 169 | 62.3 Ų | 62.3 | 79% | 0.79 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -61.8 | -31.7 | -178.3 | -59.7 | 168.5 | 161.4 | 0 | 0 | 113.3 | I2463 | I2463-E2465 HydrophobicContact CG2-CB 4.17Å; I2463-E2465 PolarHBondContact O-N 2.89Å; I2463-E2465 VanDerWaalsContact O-N 3.16Å |
| 2466 | F | 72.5 | Confident | 85.6 | Confident | 136 Ų | 136 | 63.4 Ų | 63.4 | 60% | 0.596 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -109.6 | -0.2 | 179.1 | -56.7 | -65.3 | 0 | 0 | 0 | 113.2 | I2463 N2464 Q2468 | I2463-F2466 HydrophobicContact CB-CD2 4.15Å; I2463-F2466 HydrophobicContact CD1-CD2 4.22Å; I2463-F2466 HydrophobicContact CG2-CD2 3.66Å; I2463-F2466 HydrophobicContact CG2-CE2 4.16Å; I2463-F2466 PolarHBondContact O-N 2.89Å; I2463-F2466 VanDerWaalsContact O-N 3.12Å; N2464-F2466 VanDerWaalsContact C-N 3.28Å; N2464-F2466 PolarHBondContact O-N 3.11Å; F2466-Q2468 HydrophobicContact CB-CB 4.49Å; F2466-Q2468 WeakPolarHBondContact O-CG 3.07Å; F2466-Q2468 PolarHBondContact O-N 2.84Å |
| 2467 | Q | 73.2 | Confident | 85.3 | Confident | 151 Ų | 151 | 65.5 Ų | 65.5 | 71% | 0.706 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 34.6 | -171 | -58.7 | -170.8 | 2.1 | 0 | 0 | 113.9 | Y2462 I2463 N2464 | Y2462-Q2467 VanDerWaalsContact OH-CA 3.3Å; Y2462-Q2467 WeakPolarHBondContact OH-CA 3.22Å; Y2462-Q2467 PolarHBondContact OH-O 3.08Å; I2463-Q2467 PolarHBondContact O-N 2.04Å; N2464-Q2467 PolarHBondContact O-N 3.14Å |
| 2468 | Q | 77.4 | Confident | 85.1 | Confident | 121 Ų | 121 | 65.3 Ų | 65.3 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 147 | -174.4 | -73.5 | 178.6 | 39 | 0 | 0 | 111.7 | I2463 F2466 | I2463-Q2468 PolarHBondContact N-O 2.84Å; I2463-Q2468 PolarHBondContact O-N 2.77Å; F2466-Q2468 HydrophobicContact CB-CB 4.49Å; F2466-Q2468 WeakPolarHBondContact O-CG 3.07Å; F2466-Q2468 PolarHBondContact O-N 2.84Å |
| 2469 | Y | 84.2 | Confident | 84.8 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 34% | 0.341 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 133 | 168.2 | -72.5 | -85.5 | 0 | 0 | 0 | 110.3 | R2419 Y2459 G2460 Y2462 R2471 | R2419-Y2469 VanDerWaalsContact NE-CZ 3.25Å; R2419-Y2469 PolarHBondContact NE-OH 2.75Å; Y2459-Y2469 HydrophobicContact CD1-CG 4.28Å; G2460-Y2469 WeakPolarHBondContact O-CD1 3.4Å; Y2462-Y2469 HydrophobicContact CD2-CD1 4.15Å; Y2462-Y2469 AromaticContact CD2-CD2 3.73Å; Y2462-Y2469 HydrophobicContact CD2-CD2 3.73Å; Y2462-Y2469 HydrophobicContact CD2-CE1 4.11Å; Y2462-Y2469 AromaticContact CD2-CE2 3.66Å; Y2462-Y2469 HydrophobicContact CD2-CE2 3.66Å; Y2462-Y2469 AromaticContact CD2-CG 3.97Å; Y2462-Y2469 HydrophobicContact CD2-CG 3.97Å; Y2462-Y2469 AromaticContact CD2-CZ 3.85Å; Y2462-Y2469 HydrophobicContact CE2-CD2 4.3Å; Y2462-Y2469 HydrophobicContact CE2-CE2 4.19Å; Y2462-Y2469 HydrophobicContact CG-CE1 4.4Å; Y2469-R2471 PolarHBondContact O-N 3.31Å |
| 2470 | R | 87.1 | Confident | 84.3 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 122.1 | 168.7 | -168.5 | -179.4 | -74.1 | -99 | -6.8 | 108.1 | G2460 D2461 I2463 A2477 A2478 M2479 | G2460-R2470 PolarHBondContact N-O 2.93Å; D2461-R2470 WeakPolarHBondContact O-CB 3.03Å; D2461-R2470 PolarHBondContact O-N 3.21Å; I2463-R2470 HydrophobicContact CD1-CB 3.94Å; I2463-R2470 HydrophobicContact CD1-CG 4.25Å; I2463-R2470 HydrophobicContact CG1-CB 4.13Å; R2470-A2477 WeakPolarHBondContact CG-O 3.28Å; R2470-A2478 VanDerWaalsContact CD-C 3.48Å; R2470-A2478 WeakPolarHBondContact CD-O 3.11Å; R2470-A2478 WeakPolarHBondContact CG-O 2.95Å; R2470-M2479 VanDerWaalsContact CD-O 3.27Å; R2470-M2479 WeakPolarHBondContact CD-O 3.22Å |
| 2471 | R | 89.4 | Confident | 83.9 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 37% | 0.37 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 160.6 | -176.1 | 76.4 | -177.3 | -154.8 | -134.9 | 1.3 | 112.5 | E2438 F2458 Y2459 Y2469 | E2438-R2471 IonicContact OE1-CZ 3.24Å; E2438-R2471 IonicContact OE1-NH2 3.75Å; E2438-R2471 PolarHBondContact OE1-NH2 3.37Å; E2438-R2471 IonicContact OE2-CZ 2.72Å; E2438-R2471 IonicContact OE2-NE 3.71Å; E2438-R2471 IonicContact OE2-NH2 3.34Å; E2438-R2471 PolarHBondContact OE2-NH2 3.23Å; F2458-R2471 WeakPolarHBondContact O-CA 3.34Å; F2458-R2471 WeakPolarHBondContact O-CB 3.18Å; Y2459-R2471 HydrophobicContact CD1-CB 4.42Å; Y2459-R2471 HydrophobicContact CE1-CB 4.49Å; Y2469-R2471 PolarHBondContact O-N 3.31Å |
| 2472 | G | 90.6 | Very high | 83.6 | Confident | 11 Ų | 11 | 79.8 Ų | 79.8 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.6 | 172.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q2457 F2458 | Q2457-G2472 WeakPolarHBondContact CA-O 3.04Å; F2458-G2472 PolarHBondContact N-O 2.85Å; F2458-G2472 PolarHBondContact O-N 3Å |
| 2473 | A | 91.6 | Very high | 83.6 | Confident | 14 Ų | 14 | 75.3 Ų | 75.3 | 12% | 0.116 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -70.9 | -42.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M2391 I2455 F2458 T2510 | M2391-A2473 HydrophobicContact CG-CB 4.4Å; I2455-A2473 HydrophobicContact CD1-CB 4.47Å; I2455-A2473 HydrophobicContact CG2-CB 4.05Å; I2455-A2473 VanDerWaalsContact CG2-O 3.28Å; I2455-A2473 WeakPolarHBondContact CG2-O 3.36Å; F2458-A2473 VanDerWaalsContact CD2-O 3.31Å; F2458-A2473 WeakPolarHBondContact CD2-O 3.22Å; F2458-A2473 WeakPolarHBondContact CE2-O 3.41Å; A2473-T2510 PolarHBondContact O-OG1 3.05Å |
| 2474 | M | 92.5 | Very high | 84.1 | Confident | 37 Ų | 37 | 76.1 Ų | 76.1 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -86.1 | 143.7 | 173.4 | -67.2 | -61.5 | -159 | 0 | 0 | 112.1 | D2290 M2391 S2476 A2477 A2478 N2512 | D2290-M2474 HydrophobicContact CB-CE 4.28Å; D2290-M2474 VanDerWaalsContact CG-CE 3.49Å; D2290-M2474 WeakPolarHBondContact OD2-CE 3.49Å; M2391-M2474 HydrophobicContact CE-CE 3.49Å; M2391-M2474 VanDerWaalsContact CE-CE 3.49Å; M2391-M2474 HydrophobicContact CE-CG 4.46Å; M2391-M2474 HydrophobicContact CE-SD 3.73Å; M2474-S2476 VanDerWaalsContact C-N 3.25Å; M2474-S2476 PolarHBondContact O-N 3.41Å; M2474-A2477 HydrophobicContact CB-CB 4.42Å; M2474-A2477 WeakPolarHBondContact O-CB 3.17Å; M2474-A2477 PolarHBondContact O-N 3.03Å; M2474-A2478 PolarHBondContact O-N 3.16Å; M2474-N2512 HydrophobicContact CE-CB 4.19Å |
| 2475 | V | 92.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.1 | -38.4 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | F2458 A2477 A2478 M2479 L2491 L2492 L2509 T2510 L2511 F2515 | F2458-V2475 HydrophobicContact CD1-CG2 3.9Å; F2458-V2475 HydrophobicContact CD2-CG2 4.01Å; F2458-V2475 HydrophobicContact CE1-CG2 3.66Å; F2458-V2475 HydrophobicContact CE2-CG2 3.8Å; F2458-V2475 HydrophobicContact CG-CG2 4.08Å; F2458-V2475 HydrophobicContact CZ-CG2 3.62Å; V2475-A2477 PolarHBondContact O-N 3.05Å; V2475-A2478 PolarHBondContact O-N 3.39Å; V2475-M2479 HydrophobicContact CG1-CE 4.25Å; V2475-M2479 WeakPolarHBondContact O-CB 3.16Å; V2475-M2479 PolarHBondContact O-N 3.02Å; V2475-M2479 VanDerWaalsContact O-N 3.1Å; V2475-L2491 HydrophobicContact CG1-CD2 3.99Å; V2475-L2492 HydrophobicContact CG1-CD2 4.05Å; V2475-L2492 HydrophobicContact CG2-CD2 4.27Å; V2475-L2509 HydrophobicContact CG2-CD1 3.69Å; V2475-T2510 PolarHBondContact N-O 2.83Å; V2475-L2511 HydrophobicContact CB-CD2 4.06Å; V2475-L2511 HydrophobicContact CG2-CD2 3.77Å; V2475-F2515 HydrophobicContact CB-CD2 4.09Å; V2475-F2515 HydrophobicContact CB-CE2 4.36Å; V2475-F2515 HydrophobicContact CG1-CD2 3.63Å; V2475-F2515 HydrophobicContact CG1-CE2 3.52Å |
| 2476 | S | 90.3 | Very high | 85.6 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 16% | 0.161 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -20.1 | 176.6 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | M2474 N2512 | M2474-S2476 VanDerWaalsContact C-N 3.25Å; M2474-S2476 PolarHBondContact O-N 3.41Å; S2476-N2512 WeakPolarHBondContact CB-OD1 3.09Å; S2476-N2512 PolarHBondContact OG-OD1 3.3Å |
| 2477 | A | 88.2 | Confident | 86.3 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -85.4 | -37.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R2470 M2474 V2475 M2479 | R2470-A2477 WeakPolarHBondContact CG-O 3.28Å; M2474-A2477 HydrophobicContact CB-CB 4.42Å; M2474-A2477 WeakPolarHBondContact O-CB 3.17Å; M2474-A2477 PolarHBondContact O-N 3.03Å; V2475-A2477 PolarHBondContact O-N 3.05Å; A2477-M2479 PolarHBondContact O-N 3.37Å |
| 2478 | A | 90.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.3 | -16.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F2458 G2460 R2470 M2474 V2475 L2491 | F2458-A2478 HydrophobicContact CB-CB 3.57Å; F2458-A2478 WeakPolarHBondContact O-CB 3.24Å; G2460-A2478 WeakPolarHBondContact CA-O 3.03Å; R2470-A2478 VanDerWaalsContact CD-C 3.48Å; R2470-A2478 WeakPolarHBondContact CD-O 3.11Å; R2470-A2478 WeakPolarHBondContact CG-O 2.95Å; M2474-A2478 PolarHBondContact O-N 3.16Å; V2475-A2478 PolarHBondContact O-N 3.39Å; A2478-L2491 HydrophobicContact CB-CD1 4.33Å |
| 2479 | M | 87.1 | Confident | 88 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 6% | 0.059 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -92.7 | 150.2 | -173.3 | 173.7 | 176.9 | -76.6 | 0 | 0 | 114 | R2470 V2475 A2477 A2488 L2491 F2515 L2519 | R2470-M2479 VanDerWaalsContact CD-O 3.27Å; R2470-M2479 WeakPolarHBondContact CD-O 3.22Å; V2475-M2479 HydrophobicContact CG1-CE 4.25Å; V2475-M2479 WeakPolarHBondContact O-CB 3.16Å; V2475-M2479 PolarHBondContact O-N 3.02Å; V2475-M2479 VanDerWaalsContact O-N 3.1Å; A2477-M2479 PolarHBondContact O-N 3.37Å; M2479-A2488 HydrophobicContact CE-CB 3.41Å; M2479-A2488 VanDerWaalsContact CE-CB 3.41Å; M2479-L2491 HydrophobicContact CB-CD1 4.19Å; M2479-F2515 HydrophobicContact CE-CD2 3.85Å; M2479-F2515 HydrophobicContact CE-CE2 3.54Å; M2479-F2515 HydrophobicContact SD-CD2 4.21Å; M2479-F2515 HydrophobicContact SD-CE2 4.45Å; M2479-L2519 HydrophobicContact CE-CD1 3.9Å; M2479-L2519 HydrophobicContact CG-CD2 4.4Å; M2479-L2519 HydrophobicContact SD-CD1 3.63Å; M2479-L2519 HydrophobicContact SD-CD2 3.76Å; M2479-L2519 HydrophobicContact SD-CG 3.79Å |
| 2480 | N | 83 | Confident | 88.4 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 35% | 0.348 | 26% | 0.262 | S | S | . | . | trans | -77.3 | 118.5 | 163.1 | -179.7 | 0.4 | 0 | 0 | 0 | 110.2 | K2482 G2483 | N2480-K2482 PolarHBondContact O-N 2.94Å; N2480-K2482 PolarHBondContact OD1-N 2.92Å; N2480-G2483 PolarHBondContact O-N 3.43Å | ||
| 2481 | R | 81.9 | Confident | 88.8 | Confident | 157 Ų | 157 | 51 Ų | 51 | 59% | 0.592 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.1 | 177.7 | -78.4 | -175.9 | 166.6 | -175.6 | -8 | 114.6 | D2514 V2518 | R2481-D2514 IonicContact CZ-OD2 3.88Å; R2481-D2514 IonicContact NH2-OD2 2.83Å; R2481-D2514 PolarHBondContact NH2-OD2 2.03Å; R2481-V2518 HydrophobicContact CB-CG1 4.31Å; R2481-V2518 HydrophobicContact CG-CG1 4.08Å |
| 2482 | K | 79.9 | Confident | 89.1 | Confident | 189 Ų | 189 | 46.3 Ų | 46.3 | 82% | 0.822 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 9.4 | 171.8 | -65 | -173.9 | 177.8 | -178.4 | 0 | 113.6 | N2480 | N2480-K2482 PolarHBondContact O-N 2.94Å; N2480-K2482 PolarHBondContact OD1-N 2.92Å |
| 2483 | G | 80.7 | Confident | 89.4 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | trans | -71 | 166.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N2480 | N2480-G2483 PolarHBondContact O-N 3.43Š| ||
| 2484 | S | 87.6 | Confident | 89.5 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 35% | 0.35 | 25% | 0.25 | S | S | . | . | trans | -89.2 | 161.1 | 174 | 65 | 0 | 0 | 0 | 0 | 112.2 | E2486 E2487 A2488 | S2484-E2486 PolarHBondContact O-N 3.45Å; S2484-E2487 WeakPolarHBondContact CB-OE2 3.42Å; S2484-E2487 PolarHBondContact N-OE2 3.34Å; S2484-E2487 PolarHBondContact O-N 3.32Å; S2484-E2487 VanDerWaalsContact OG-CD 3.27Å; S2484-E2487 WeakPolarHBondContact OG-CG 3.37Å; S2484-E2487 PolarHBondContact OG-N 3.15Å; S2484-E2487 PolarHBondContact OG-OE2 3.35Å; S2484-A2488 WeakPolarHBondContact O-CB 3.28Å; S2484-A2488 PolarHBondContact O-N 3.49Å | ||
| 2485 | A | 89.3 | Confident | 89.6 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.3 | -26.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y2489 G2523 R2526 A2527 | A2485-Y2489 VanDerWaalsContact O-CB 3.24Å; A2485-Y2489 WeakPolarHBondContact O-CB 3.44Å; A2485-Y2489 PolarHBondContact O-N 2.84Å; A2485-G2523 WeakPolarHBondContact CB-O 3.19Å; A2485-R2526 HydrophobicContact CB-CB 4.29Å; A2485-A2527 WeakPolarHBondContact O-CB 3.32Å |
| 2486 | E | 87.5 | Confident | 89.8 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -77.8 | -39.4 | 178.4 | 176 | 60.3 | -168.8 | 0 | 0 | 112.1 | S2484 Y2489 R2490 K2530 | S2484-E2486 PolarHBondContact O-N 3.45Å; E2486-Y2489 PolarHBondContact O-N 2.86Å; E2486-Y2489 WeakPolarHBondContact OE2-CD1 3.45Å; E2486-R2490 VanDerWaalsContact CG-NH2 3.3Å; E2486-R2490 WeakPolarHBondContact O-CB 3.46Å; E2486-R2490 VanDerWaalsContact O-CG 3.22Å; E2486-R2490 WeakPolarHBondContact O-CG 3.49Å; E2486-R2490 PolarHBondContact O-N 3.09Å; E2486-R2490 IonicContact OE1-CZ 3.82Å; E2486-R2490 IonicContact OE1-NE 3.67Å; E2486-R2490 PolarHBondContact OE1-NE 2.99Å; E2486-R2490 IonicContact OE1-NH2 3.33Å; E2486-R2490 PolarHBondContact OE1-NH2 3.25Å; E2486-K2530 IonicContact OE2-NZ 2.77Å; E2486-K2530 PolarHBondContact OE2-NZ 3.45Å |
| 2487 | E | 87.7 | Confident | 90 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 40% | 0.397 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 172 | -71.2 | 154.8 | 146.2 | 0 | 0 | 111 | S2484 R2490 L2491 | S2484-E2487 WeakPolarHBondContact CB-OE2 3.42Å; S2484-E2487 PolarHBondContact N-OE2 3.34Å; S2484-E2487 PolarHBondContact O-N 3.32Å; S2484-E2487 VanDerWaalsContact OG-CD 3.27Å; S2484-E2487 WeakPolarHBondContact OG-CG 3.37Å; S2484-E2487 PolarHBondContact OG-N 3.15Å; S2484-E2487 PolarHBondContact OG-OE2 3.35Å; E2487-R2490 PolarHBondContact O-N 3.19Å; E2487-L2491 WeakPolarHBondContact O-CB 3.35Å; E2487-L2491 PolarHBondContact O-N 3.37Å |
| 2488 | A | 91.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M2479 S2484 R2490 L2491 L2492 L2519 A2527 | M2479-A2488 HydrophobicContact CE-CB 3.41Å; M2479-A2488 VanDerWaalsContact CE-CB 3.41Å; S2484-A2488 WeakPolarHBondContact O-CB 3.28Å; S2484-A2488 PolarHBondContact O-N 3.49Å; A2488-R2490 VanDerWaalsContact C-N 3.34Å; A2488-R2490 PolarHBondContact O-N 2.82Å; A2488-L2491 PolarHBondContact O-N 3.44Å; A2488-L2492 WeakPolarHBondContact O-CG 3.44Å; A2488-L2492 PolarHBondContact O-N 3Å; A2488-L2519 HydrophobicContact CB-CD1 3.72Å; A2488-A2527 HydrophobicContact CB-CB 3.5Å |
| 2489 | Y | 95.7 | Very high | 90.5 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 10% | 0.102 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 174.9 | 162.2 | -105.2 | 0 | 0 | 0 | 112.1 | A2485 E2486 L2492 L2493 K2530 F2531 K2534 | A2485-Y2489 VanDerWaalsContact O-CB 3.24Å; A2485-Y2489 WeakPolarHBondContact O-CB 3.44Å; A2485-Y2489 PolarHBondContact O-N 2.84Å; E2486-Y2489 PolarHBondContact O-N 2.86Å; E2486-Y2489 WeakPolarHBondContact OE2-CD1 3.45Å; Y2489-L2492 PolarHBondContact O-N 3.5Å; Y2489-L2493 HydrophobicContact CE1-CD2 4.26Å; Y2489-L2493 HydrophobicContact CE2-CD2 4.38Å; Y2489-L2493 VanDerWaalsContact O-CB 3.25Å; Y2489-L2493 WeakPolarHBondContact O-CB 3.28Å; Y2489-L2493 PolarHBondContact O-N 3.4Å; Y2489-K2530 HydrophobicContact CD1-CD 3.93Å; Y2489-K2530 HydrophobicContact CD2-CB 3.9Å; Y2489-K2530 HydrophobicContact CD2-CD 3.88Å; Y2489-K2530 HydrophobicContact CD2-CG 3.68Å; Y2489-K2530 HydrophobicContact CE1-CD 4.17Å; Y2489-K2530 HydrophobicContact CE2-CB 4.29Å; Y2489-K2530 HydrophobicContact CE2-CD 4.12Å; Y2489-K2530 HydrophobicContact CE2-CG 3.69Å; Y2489-K2530 HydrophobicContact CG-CB 4.47Å; Y2489-K2530 HydrophobicContact CG-CD 3.78Å; Y2489-K2530 HydrophobicContact CG-CG 4.13Å; Y2489-F2531 HydrophobicContact CD2-CB 4.17Å; Y2489-K2534 HydrophobicContact CE2-CB 4.21Å |
| 2490 | R | 92.5 | Very high | 90.9 | Very high | 148 Ų | 148 | 49.2 Ų | 49.2 | 56% | 0.558 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.1 | -39.4 | 175.5 | -73.1 | 168.6 | -169.6 | 177.9 | 6.5 | 112.5 | E2486 E2487 A2488 L2493 S2494 | E2486-R2490 VanDerWaalsContact CG-NH2 3.3Å; E2486-R2490 WeakPolarHBondContact O-CB 3.46Å; E2486-R2490 VanDerWaalsContact O-CG 3.22Å; E2486-R2490 WeakPolarHBondContact O-CG 3.49Å; E2486-R2490 PolarHBondContact O-N 3.09Å; E2486-R2490 IonicContact OE1-CZ 3.82Å; E2486-R2490 IonicContact OE1-NE 3.67Å; E2486-R2490 PolarHBondContact OE1-NE 2.99Å; E2486-R2490 IonicContact OE1-NH2 3.33Å; E2486-R2490 PolarHBondContact OE1-NH2 3.25Å; E2487-R2490 PolarHBondContact O-N 3.19Å; A2488-R2490 VanDerWaalsContact C-N 3.34Å; A2488-R2490 PolarHBondContact O-N 2.82Å; R2490-L2493 PolarHBondContact O-N 3.4Å; R2490-S2494 VanDerWaalsContact O-CB 3.3Å; R2490-S2494 WeakPolarHBondContact O-CB 3.33Å; R2490-S2494 PolarHBondContact O-N 3.41Å; R2490-S2494 PolarHBondContact O-OG 3.36Å |
| 2491 | L | 94.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 175.4 | -174.6 | 162.9 | 0 | 0 | 0 | 111.1 | V2475 A2478 M2479 E2487 A2488 L2493 S2494 N2495 | V2475-L2491 HydrophobicContact CG1-CD2 3.99Å; A2478-L2491 HydrophobicContact CB-CD1 4.33Å; M2479-L2491 HydrophobicContact CB-CD1 4.19Å; E2487-L2491 WeakPolarHBondContact O-CB 3.35Å; E2487-L2491 PolarHBondContact O-N 3.37Å; A2488-L2491 PolarHBondContact O-N 3.44Å; L2491-L2493 PolarHBondContact O-N 2.88Å; L2491-S2494 PolarHBondContact O-OG 2.55Å; L2491-S2494 VanDerWaalsContact O-OG 3.05Å; L2491-N2495 PolarHBondContact O-N 2.96Å; L2491-N2495 PolarHBondContact O-ND2 2.85Å |
| 2492 | L | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 174.3 | -67.1 | 179 | 0 | 0 | 0 | 111.3 | V2475 A2488 Y2489 F2496 L2509 F2515 L2528 F2531 | V2475-L2492 HydrophobicContact CG1-CD2 4.05Å; V2475-L2492 HydrophobicContact CG2-CD2 4.27Å; A2488-L2492 WeakPolarHBondContact O-CG 3.44Å; A2488-L2492 PolarHBondContact O-N 3Å; Y2489-L2492 PolarHBondContact O-N 3.5Å; L2492-F2496 WeakPolarHBondContact O-CB 3.34Å; L2492-F2496 PolarHBondContact O-N 2.82Å; L2492-L2509 HydrophobicContact CD2-CD1 3.6Å; L2492-F2515 HydrophobicContact CD1-CZ 4.33Å; L2492-L2528 HydrophobicContact CD1-CD1 4.42Å; L2492-F2531 HydrophobicContact CB-CB 4.29Å; L2492-F2531 HydrophobicContact CB-CD1 4.47Å; L2492-F2531 HydrophobicContact CB-CD2 3.58Å; L2492-F2531 HydrophobicContact CB-CE2 3.99Å; L2492-F2531 HydrophobicContact CB-CG 3.86Å; L2492-F2531 HydrophobicContact CD1-CB 3.87Å; L2492-F2531 HydrophobicContact CD1-CD1 4.33Å; L2492-F2531 HydrophobicContact CD1-CG 4.02Å |
| 2493 | L | 96.3 | Very high | 92.3 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 20% | 0.204 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.4 | -35 | -176.6 | -173.7 | 61 | 0 | 0 | 0 | 113.4 | Y2489 R2490 L2491 F2496 N2497 F2531 | Y2489-L2493 HydrophobicContact CE1-CD2 4.26Å; Y2489-L2493 HydrophobicContact CE2-CD2 4.38Å; Y2489-L2493 VanDerWaalsContact O-CB 3.25Å; Y2489-L2493 WeakPolarHBondContact O-CB 3.28Å; Y2489-L2493 PolarHBondContact O-N 3.4Å; R2490-L2493 PolarHBondContact O-N 3.4Å; L2491-L2493 PolarHBondContact O-N 2.88Å; L2493-F2496 HydrophobicContact CD1-CD1 4.36Å; L2493-N2497 WeakPolarHBondContact O-CB 3.05Å; L2493-N2497 PolarHBondContact O-N 3.02Å; L2493-N2497 PolarHBondContact O-ND2 3.43Å; L2493-F2531 HydrophobicContact CB-CD2 4.47Å |
| 2494 | S | 93.2 | Very high | 93 | Very high | 62 Ų | 62 | 42 Ų | 42 | 43% | 0.434 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.5 | -46.2 | 177.9 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | R2490 L2491 N2497 R2498 | R2490-S2494 VanDerWaalsContact O-CB 3.3Å; R2490-S2494 WeakPolarHBondContact O-CB 3.33Å; R2490-S2494 PolarHBondContact O-N 3.41Å; R2490-S2494 PolarHBondContact O-OG 3.36Å; L2491-S2494 PolarHBondContact O-OG 2.55Å; L2491-S2494 VanDerWaalsContact O-OG 3.05Å; S2494-N2497 WeakPolarHBondContact O-CB 3.35Å; S2494-N2497 PolarHBondContact O-N 3.42Å; S2494-R2498 PolarHBondContact O-N 3.47Å |
| 2495 | N | 95.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -41.1 | 178.4 | -71.1 | -81.1 | 0 | 0 | 0 | 111.5 | F2458 Y2459 L2491 N2497 R2498 H2499 F2507 | F2458-N2495 WeakPolarHBondContact CA-OD1 3.03Å; F2458-N2495 HydrophobicContact CD1-CB 4.05Å; Y2459-N2495 PolarHBondContact N-ND2 3.43Å; Y2459-N2495 PolarHBondContact N-OD1 3.33Å; Y2459-N2495 PolarHBondContact O-ND2 3.29Å; L2491-N2495 PolarHBondContact O-N 2.96Å; L2491-N2495 PolarHBondContact O-ND2 2.85Å; N2495-N2497 VanDerWaalsContact C-N 3.31Å; N2495-N2497 PolarHBondContact O-N 2.91Å; N2495-R2498 WeakPolarHBondContact O-CB 3.44Å; N2495-R2498 PolarHBondContact O-N 2.93Å; N2495-R2498 VanDerWaalsContact O-N 3.16Å; N2495-H2499 PolarHBondContact O-CD2 3.27Å; N2495-F2507 HydrophobicContact CB-CE2 3.83Å; N2495-F2507 HydrophobicContact CB-CZ 4.09Å |
| 2496 | F | 96.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56 | -43.6 | 169.8 | 171.6 | -90.8 | 0 | 0 | 0 | 112.3 | Q2283 V2285 L2492 L2493 R2498 H2499 Y2500 F2507 F2531 I2535 V2541 | Q2283-F2496 HydrophobicContact CG-CE2 3.68Å; Q2283-F2496 HydrophobicContact CG-CZ 4.03Å; V2285-F2496 HydrophobicContact CG2-CD2 4.13Å; V2285-F2496 HydrophobicContact CG2-CE2 3.82Å; L2492-F2496 WeakPolarHBondContact O-CB 3.34Å; L2492-F2496 PolarHBondContact O-N 2.82Å; L2493-F2496 HydrophobicContact CD1-CD1 4.36Å; F2496-R2498 VanDerWaalsContact C-N 3.27Å; F2496-R2498 PolarHBondContact O-N 3.23Å; F2496-H2499 PolarHBondContact O-N 2.74Å; F2496-Y2500 HydrophobicContact CE1-CD2 4.13Å; F2496-Y2500 HydrophobicContact CE1-CG 4.11Å; F2496-Y2500 AromaticContact CZ-CD2 3.89Å; F2496-Y2500 HydrophobicContact CZ-CD2 3.89Å; F2496-Y2500 HydrophobicContact CZ-CG 4.31Å; F2496-Y2500 WeakPolarHBondContact O-CB 3.48Å; F2496-Y2500 PolarHBondContact O-N 3.17Å; F2496-F2507 HydrophobicContact CB-CD1 4.12Å; F2496-F2507 HydrophobicContact CB-CE1 3.89Å; F2496-F2507 HydrophobicContact CB-CZ 4.15Å; F2496-F2507 AromaticContact CD2-CD1 3.93Å; F2496-F2507 HydrophobicContact CD2-CD1 3.93Å; F2496-F2507 HydrophobicContact CD2-CE1 4.43Å; F2496-F2507 HydrophobicContact CD2-CG 4.44Å; F2496-F2531 HydrophobicContact CB-CE2 3.69Å; F2496-F2531 HydrophobicContact CB-CZ 3.88Å; F2496-F2531 HydrophobicContact CD2-CE2 4.39Å; F2496-F2531 AromaticContact CD2-CZ 3.98Å; F2496-F2531 HydrophobicContact CD2-CZ 3.98Å; F2496-F2531 HydrophobicContact CG-CE2 4.03Å; F2496-F2531 HydrophobicContact CG-CZ 4.06Å; F2496-I2535 HydrophobicContact CD1-CG2 3.93Å; F2496-I2535 HydrophobicContact CD2-CG2 4.07Å; F2496-I2535 HydrophobicContact CE1-CG2 3.82Å; F2496-I2535 HydrophobicContact CE2-CB 4.2Å; F2496-I2535 HydrophobicContact CE2-CD1 4.29Å; F2496-I2535 HydrophobicContact CE2-CG2 3.94Å; F2496-I2535 HydrophobicContact CG-CG2 4.07Å; F2496-I2535 HydrophobicContact CZ-CB 4.11Å; F2496-I2535 HydrophobicContact CZ-CG2 3.82Å; F2496-V2541 HydrophobicContact CE2-CG1 4.28Å; F2496-V2541 HydrophobicContact CE2-CG2 4.41Å; F2496-V2541 HydrophobicContact CZ-CG1 4.44Å; F2496-V2541 HydrophobicContact CZ-CG2 3.82Å |
| 2497 | N | 94 | Very high | 94.3 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 21% | 0.209 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -29.7 | 178.7 | -91.7 | -89.3 | 0 | 0 | 0 | 113.1 | L2493 S2494 N2495 R2501 | L2493-N2497 WeakPolarHBondContact O-CB 3.05Å; L2493-N2497 PolarHBondContact O-N 3.02Å; L2493-N2497 PolarHBondContact O-ND2 3.43Å; S2494-N2497 WeakPolarHBondContact O-CB 3.35Å; S2494-N2497 PolarHBondContact O-N 3.42Å; N2495-N2497 VanDerWaalsContact C-N 3.31Å; N2495-N2497 PolarHBondContact O-N 2.91Å; N2497-R2501 VanDerWaalsContact O-CB 3.26Å; N2497-R2501 WeakPolarHBondContact O-CB 3.11Å; N2497-R2501 WeakPolarHBondContact O-CD 3.21Å; N2497-R2501 WeakPolarHBondContact O-CG 3.37Å; N2497-R2501 PolarHBondContact O-N 3.42Å; N2497-R2501 PolarHBondContact OD1-NE 2.92Å; N2497-R2501 PolarHBondContact OD1-NH2 2.95Å |
| 2498 | R | 93.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 175 | -177.4 | -175 | 62.7 | -161.3 | -10.7 | 111.2 | G2418 R2419 G2421 T2423 N2456 Q2457 Y2459 S2494 N2495 F2496 T2502 | G2418-R2498 PolarHBondContact O-NH1 3.18Å; G2418-R2498 VanDerWaalsContact O-NH1 3.08Å; R2419-R2498 WeakPolarHBondContact O-CD 2.99Å; G2421-R2498 WeakPolarHBondContact O-CG 3.44Å; T2423-R2498 HydrophobicContact CG2-CG 4.03Å; T2423-R2498 VanDerWaalsContact CG2-NE 3.29Å; N2456-R2498 PolarHBondContact O-NH2 3.21Å; Q2457-R2498 PolarHBondContact O-NH1 3.26Å; Q2457-R2498 PolarHBondContact O-NH2 3.13Å; Y2459-R2498 VanDerWaalsContact CD2-NH1 3.31Å; Y2459-R2498 VanDerWaalsContact CE2-NH1 3.31Å; S2494-R2498 PolarHBondContact O-N 3.47Å; N2495-R2498 WeakPolarHBondContact O-CB 3.44Å; N2495-R2498 PolarHBondContact O-N 2.93Å; N2495-R2498 VanDerWaalsContact O-N 3.16Å; F2496-R2498 VanDerWaalsContact C-N 3.27Å; F2496-R2498 PolarHBondContact O-N 3.23Å; R2498-T2502 WeakPolarHBondContact O-CB 3.22Å; R2498-T2502 VanDerWaalsContact O-CG2 3.31Å; R2498-T2502 WeakPolarHBondContact O-CG2 3.22Å; R2498-T2502 PolarHBondContact O-N 3.1Å; R2498-T2502 PolarHBondContact O-OG1 2.83Å |
| 2499 | H | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.2 | -51.2 | 175.6 | -70.9 | -112.6 | 0 | 0 | 0 | 110.5 | Q2283 T2423 N2495 F2496 R2501 T2502 K2504 A2505 P2506 F2507 | Q2283-H2499 VanDerWaalsContact OE1-C 3.31Å; T2423-H2499 WeakPolarHBondContact CG2-NE2 3.36Å; N2495-H2499 PolarHBondContact O-CD2 3.27Å; F2496-H2499 PolarHBondContact O-N 2.74Å; H2499-R2501 VanDerWaalsContact C-N 3.29Å; H2499-R2501 PolarHBondContact O-N 3.12Å; H2499-T2502 PolarHBondContact O-N 3.08Å; H2499-T2502 PolarHBondContact O-OG1 3.34Å; H2499-K2504 WeakPolarHBondContact O-CA 3.4Å; H2499-K2504 PolarHBondContact O-N 3.26Å; H2499-A2505 PolarHBondContact ND1-O 3.03Å; H2499-P2506 PolarHBondContact CE1-O 2.91Å; H2499-P2506 PolarHBondContact ND1-O 3.05Å; H2499-F2507 HydrophobicContact CB-CB 4.42Å; H2499-F2507 AromaticContact CD2-CD2 3.6Å; H2499-F2507 AromaticContact NE2-CD2 3.71Å |
| 2500 | Y | 95.5 | Very high | 94.9 | Very high | 41 Ų | 41 | 30.8 Ų | 30.8 | 16% | 0.161 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.2 | -31.9 | -174.7 | -166.7 | -101.7 | 0 | 0 | 0 | 114.5 | Q2283 F2496 R2538 D2540 V2541 | Q2283-Y2500 HydrophobicContact CB-CD2 3.71Å; Q2283-Y2500 HydrophobicContact CB-CE2 4.05Å; Q2283-Y2500 HydrophobicContact CG-CD2 3.91Å; Q2283-Y2500 VanDerWaalsContact OE1-CA 3.23Å; Q2283-Y2500 VanDerWaalsContact OE1-N 3.16Å; F2496-Y2500 HydrophobicContact CE1-CD2 4.13Å; F2496-Y2500 HydrophobicContact CE1-CG 4.11Å; F2496-Y2500 AromaticContact CZ-CD2 3.89Å; F2496-Y2500 HydrophobicContact CZ-CD2 3.89Å; F2496-Y2500 HydrophobicContact CZ-CG 4.31Å; F2496-Y2500 WeakPolarHBondContact O-CB 3.48Å; F2496-Y2500 PolarHBondContact O-N 3.17Å; Y2500-R2538 PolarHBondContact OH-NH1 3.35Å; Y2500-D2540 WeakPolarHBondContact CE2-OD2 3.09Å; Y2500-D2540 PolarHBondContact OH-OD1 3.4Å; Y2500-D2540 PolarHBondContact OH-OD2 3.04Å; Y2500-V2541 HydrophobicContact CE2-CG2 4.15Å |
| 2501 | R | 90 | Very high | 95.1 | Very high | 193 Ų | 193 | 23.8 Ų | 23.8 | 73% | 0.728 | 11% | 0.114 | S | C | * | . | H | α-helix | trans | -95.4 | -12.3 | -175.4 | -66.6 | 174.6 | -175.5 | -144.5 | 1.5 | 114.8 | N2497 H2499 | N2497-R2501 VanDerWaalsContact O-CB 3.26Å; N2497-R2501 WeakPolarHBondContact O-CB 3.11Å; N2497-R2501 WeakPolarHBondContact O-CD 3.21Å; N2497-R2501 WeakPolarHBondContact O-CG 3.37Å; N2497-R2501 PolarHBondContact O-N 3.42Å; N2497-R2501 PolarHBondContact OD1-NE 2.92Å; N2497-R2501 PolarHBondContact OD1-NH2 2.95Å; H2499-R2501 VanDerWaalsContact C-N 3.29Å; H2499-R2501 PolarHBondContact O-N 3.12Å |
| 2502 | T | 90.3 | Very high | 94.7 | Very high | 49 Ų | 49 | 24.1 Ų | 24.1 | 30% | 0.301 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -102.3 | -79.5 | -175 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | R2498 H2499 | R2498-T2502 WeakPolarHBondContact O-CB 3.22Å; R2498-T2502 VanDerWaalsContact O-CG2 3.31Å; R2498-T2502 WeakPolarHBondContact O-CG2 3.22Å; R2498-T2502 PolarHBondContact O-N 3.1Å; R2498-T2502 PolarHBondContact O-OG1 2.83Å; H2499-T2502 PolarHBondContact O-N 3.08Å; H2499-T2502 PolarHBondContact O-OG1 3.34Å |
| 2503 | N | 93.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.053 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | 7.8 | -175.7 | 67.3 | -9.9 | 0 | 0 | 0 | 114.1 | F2270 I2272 T2423 W2425 A2505 | F2270-N2503 PolarHBondContact O-ND2 3.26Å; I2272-N2503 HydrophobicContact CD1-CB 4.49Å; I2272-N2503 HydrophobicContact CG1-CB 4.39Å; T2423-N2503 PolarHBondContact O-ND2 2.92Å; T2423-N2503 PolarHBondContact O-OD1 2.88Å; T2423-N2503 PolarHBondContact OG1-OD1 2.03Å; W2425-N2503 WeakPolarHBondContact CZ2-O 3.44Å; W2425-N2503 PolarHBondContact NE1-ND2 3.24Å; N2503-A2505 PolarHBondContact O-N 2.79Å; N2503-A2505 WeakPolarHBondContact OD1-CB 3.42Å; N2503-A2505 PolarHBondContact OD1-N 2.92Å |
| 2504 | K | 95.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 26 Ų | 26 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | trans | 54.1 | 26.1 | -175.9 | -61.3 | -167.5 | -172.5 | -173.3 | 0 | 115.3 | V2278 V2281 Q2283 H2499 D2540 | V2278-K2504 HydrophobicContact CG1-CD 4.43Å; V2278-K2504 HydrophobicContact CG1-CG 4.11Å; V2278-K2504 VanDerWaalsContact O-CE 3.3Å; V2278-K2504 WeakPolarHBondContact O-CE 3.19Å; V2278-K2504 PolarHBondContact O-NZ 3.08Å; V2281-K2504 HydrophobicContact CB-CD 4.22Å; V2281-K2504 HydrophobicContact CG1-CB 3.83Å; V2281-K2504 HydrophobicContact CG1-CD 4.23Å; V2281-K2504 WeakPolarHBondContact O-CD 3.26Å; V2281-K2504 PolarHBondContact O-NZ 3.3Å; Q2283-K2504 HydrophobicContact CB-CD 4.47Å; H2499-K2504 WeakPolarHBondContact O-CA 3.4Å; H2499-K2504 PolarHBondContact O-N 3.26Å; K2504-D2540 IonicContact NZ-OD2 2.74Å; K2504-D2540 PolarHBondContact NZ-OD2 2.99Å | ||
| 2505 | A | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -55.3 | 147.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q2283 T2423 W2425 H2499 N2503 F2507 | Q2283-A2505 PolarHBondContact NE2-O 3.46Å; T2423-A2505 WeakPolarHBondContact O-CB 3.32Å; W2425-A2505 HydrophobicContact CD2-CB 3.96Å; W2425-A2505 HydrophobicContact CG-CB 3.9Å; W2425-A2505 HydrophobicContact CZ2-CB 4.48Å; H2499-A2505 PolarHBondContact ND1-O 3.03Å; N2503-A2505 PolarHBondContact O-N 2.79Å; N2503-A2505 WeakPolarHBondContact OD1-CB 3.42Å; N2503-A2505 PolarHBondContact OD1-N 2.92Å; A2505-F2507 PolarHBondContact O-N 2.8Å | ||
| 2506 | P | 97.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | trans | -53.1 | 127.2 | -175 | -28.4 | 34.3 | 0 | 0 | 0 | 113 | I2284 M2286 W2425 P2426 H2499 V2508 I2553 | I2284-P2506 HydrophobicContact CB-CB 4.27Å; I2284-P2506 HydrophobicContact CB-CG 4.35Å; I2284-P2506 HydrophobicContact CG2-CB 4.24Å; I2284-P2506 WeakPolarHBondContact O-CA 3.2Å; M2286-P2506 HydrophobicContact CE-CB 4.09Å; M2286-P2506 HydrophobicContact CE-CG 4.31Å; M2286-P2506 HydrophobicContact SD-CB 4.09Å; W2425-P2506 VanDerWaalsContact CE3-CD 3.47Å; W2425-P2506 HydrophobicContact CE3-CG 4.19Å; W2425-P2506 HydrophobicContact CZ3-CG 4.1Å; P2426-P2506 HydrophobicContact CG-CG 4.25Å; H2499-P2506 PolarHBondContact CE1-O 2.91Å; H2499-P2506 PolarHBondContact ND1-O 3.05Å; P2506-V2508 PolarHBondContact O-N 2.96Å; P2506-I2553 HydrophobicContact CG-CD1 4.24Å | ||
| 2507 | F | 97.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 92.8 | 173.7 | -177.1 | -124 | 0 | 0 | 0 | 108.5 | I2284 V2285 M2286 F2458 N2495 F2496 H2499 A2505 L2509 F2531 | I2284-F2507 PolarHBondContact O-N 3.02Å; V2285-F2507 CarbonylContact C-O 2.88Å; V2285-F2507 WeakPolarHBondContact CA-O 3.08Å; V2285-F2507 HydrophobicContact CG1-CD1 4.11Å; V2285-F2507 HydrophobicContact CG2-CB 4.3Å; V2285-F2507 HydrophobicContact CG2-CD1 4.43Å; M2286-F2507 PolarHBondContact N-O 2.89Å; F2458-F2507 HydrophobicContact CD1-CE2 4.34Å; F2458-F2507 HydrophobicContact CD1-CZ 4.41Å; F2458-F2507 AromaticContact CE1-CE2 3.67Å; F2458-F2507 HydrophobicContact CE1-CE2 3.67Å; F2458-F2507 AromaticContact CE1-CZ 3.67Å; F2458-F2507 HydrophobicContact CE1-CZ 3.67Å; F2458-F2507 HydrophobicContact CZ-CE2 4.45Å; N2495-F2507 HydrophobicContact CB-CE2 3.83Å; N2495-F2507 HydrophobicContact CB-CZ 4.09Å; F2496-F2507 HydrophobicContact CB-CD1 4.12Å; F2496-F2507 HydrophobicContact CB-CE1 3.89Å; F2496-F2507 HydrophobicContact CB-CZ 4.15Å; F2496-F2507 AromaticContact CD2-CD1 3.93Å; F2496-F2507 HydrophobicContact CD2-CD1 3.93Å; F2496-F2507 HydrophobicContact CD2-CE1 4.43Å; F2496-F2507 HydrophobicContact CD2-CG 4.44Å; H2499-F2507 HydrophobicContact CB-CB 4.42Å; H2499-F2507 AromaticContact CD2-CD2 3.6Å; H2499-F2507 AromaticContact NE2-CD2 3.71Å; A2505-F2507 PolarHBondContact O-N 2.8Å; F2507-L2509 HydrophobicContact CE1-CD1 4.34Å; F2507-L2509 HydrophobicContact CZ-CD1 4.43Å; F2507-L2509 PolarHBondContact O-N 3.47Å; F2507-F2531 HydrophobicContact CD1-CZ 4.2Å; F2507-F2531 HydrophobicContact CE1-CE1 4.26Å; F2507-F2531 HydrophobicContact CE1-CE2 4.46Å; F2507-F2531 AromaticContact CE1-CZ 3.65Å; F2507-F2531 HydrophobicContact CE1-CZ 3.65Å |
| 2508 | V | 97 | Very high | 90.8 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.036 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 107.3 | 178.7 | -169.7 | 0 | 0 | 0 | 0 | 109.1 | M2286 T2288 V2453 F2458 P2506 T2510 | M2286-V2508 HydrophobicContact CB-CG1 4.39Å; M2286-V2508 HydrophobicContact CB-CG2 4.49Å; M2286-V2508 HydrophobicContact SD-CG2 3.89Å; T2288-V2508 HydrophobicContact CG2-CG1 4.16Å; V2453-V2508 HydrophobicContact CG1-CG2 3.98Å; F2458-V2508 WeakPolarHBondContact CZ-O 2.97Å; P2506-V2508 PolarHBondContact O-N 2.96Å; V2508-T2510 HydrophobicContact CG1-CG2 4.01Å |
| 2509 | L | 96.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 107.7 | -177.5 | -174.3 | 54.2 | 0 | 0 | 0 | 110 | M2286 L2287 T2288 F2458 V2475 L2492 F2507 L2511 L2528 F2531 | M2286-L2509 PolarHBondContact O-N 3.4Å; L2287-L2509 HydrophobicContact CD1-CD2 4.03Å; L2287-L2509 HydrophobicContact CD1-CG 4.36Å; T2288-L2509 WeakPolarHBondContact CA-O 3.44Å; T2288-L2509 PolarHBondContact N-O 3.15Å; T2288-L2509 VanDerWaalsContact O-O 3.07Å; T2288-L2509 PolarHBondContact OG1-O 2.95Å; F2458-L2509 HydrophobicContact CE1-CD1 3.9Å; F2458-L2509 HydrophobicContact CZ-CD1 3.99Å; V2475-L2509 HydrophobicContact CG2-CD1 3.69Å; L2492-L2509 HydrophobicContact CD2-CD1 3.6Å; F2507-L2509 HydrophobicContact CE1-CD1 4.34Å; F2507-L2509 HydrophobicContact CZ-CD1 4.43Å; F2507-L2509 PolarHBondContact O-N 3.47Å; L2509-L2511 HydrophobicContact CD1-CD2 3.86Å; L2509-L2511 HydrophobicContact CD1-CG 4.38Å; L2509-L2511 HydrophobicContact CD2-CD1 4.28Å; L2509-L2511 HydrophobicContact CG-CD1 4.13Å; L2509-L2511 HydrophobicContact CG-CD2 4.02Å; L2509-L2511 HydrophobicContact CG-CG 3.99Å; L2509-L2528 HydrophobicContact CD2-CD1 3.82Å; L2509-F2531 HydrophobicContact CD2-CD1 4.43Å; L2509-F2531 HydrophobicContact CD2-CE1 4.05Å |
| 2510 | T | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 107.5 | -173.2 | 61 | 0 | 0 | 0 | 0 | 111.6 | T2288 I2455 F2458 A2473 V2475 V2508 | T2288-T2510 WeakPolarHBondContact OG1-CA 3.37Å; I2455-T2510 HydrophobicContact CD1-CG2 4.13Å; I2455-T2510 HydrophobicContact CG1-CG2 4.19Å; I2455-T2510 HydrophobicContact CG2-CG2 4.06Å; F2458-T2510 WeakPolarHBondContact CE2-OG1 3.41Å; A2473-T2510 PolarHBondContact O-OG1 3.05Å; V2475-T2510 PolarHBondContact N-O 2.83Å; V2508-T2510 HydrophobicContact CG1-CG2 4.01Å |
| 2511 | L | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 115.3 | -170.6 | -55.1 | 179.3 | 0 | 0 | 0 | 110.8 | L2287 T2288 F2289 D2290 V2475 L2509 F2515 L2528 | L2287-L2511 HydrophobicContact CD1-CD1 3.9Å; T2288-L2511 PolarHBondContact O-N 2.73Å; F2289-L2511 VanDerWaalsContact CA-O 3.28Å; F2289-L2511 WeakPolarHBondContact CA-O 3.42Å; F2289-L2511 HydrophobicContact CD1-CB 3.85Å; F2289-L2511 HydrophobicContact CD1-CD1 4.38Å; F2289-L2511 HydrophobicContact CE1-CB 3.96Å; F2289-L2511 HydrophobicContact CE1-CD1 3.68Å; F2289-L2511 HydrophobicContact CE1-CG 4.44Å; F2289-L2511 HydrophobicContact CZ-CD1 4.18Å; D2290-L2511 PolarHBondContact N-O 2.55Å; V2475-L2511 HydrophobicContact CB-CD2 4.06Å; V2475-L2511 HydrophobicContact CG2-CD2 3.77Å; L2509-L2511 HydrophobicContact CD1-CD2 3.86Å; L2509-L2511 HydrophobicContact CD1-CG 4.38Å; L2509-L2511 HydrophobicContact CD2-CD1 4.28Å; L2509-L2511 HydrophobicContact CG-CD1 4.13Å; L2509-L2511 HydrophobicContact CG-CD2 4.02Å; L2509-L2511 HydrophobicContact CG-CG 3.99Å; L2511-F2515 HydrophobicContact CB-CD1 4.34Å; L2511-F2515 HydrophobicContact CD1-CD1 4.45Å; L2511-F2515 HydrophobicContact CD1-CE1 4.27Å; L2511-F2515 HydrophobicContact CD2-CD1 3.77Å; L2511-F2515 HydrophobicContact CD2-CD2 4.25Å; L2511-F2515 HydrophobicContact CD2-CE1 3.84Å; L2511-F2515 HydrophobicContact CD2-CE2 4.28Å; L2511-F2515 HydrophobicContact CD2-CG 4Å; L2511-F2515 HydrophobicContact CD2-CZ 4.1Å; L2511-F2515 HydrophobicContact CG-CD1 4.42Å; L2511-L2528 HydrophobicContact CD1-CD1 3.95Å; L2511-L2528 HydrophobicContact CD1-CD2 3.59Å; L2511-L2528 HydrophobicContact CD1-CG 4.41Å |
| 2512 | N | 86.5 | Confident | 87.8 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | trans | -97.5 | 169.8 | 176.6 | 84.8 | -53.6 | 0 | 0 | 0 | 111.5 | D2290 D2291 M2474 S2476 D2514 F2515 | D2290-N2512 HydrophobicContact CB-CB 4.04Å; D2291-N2512 WeakPolarHBondContact OD2-CB 3.47Å; M2474-N2512 HydrophobicContact CE-CB 4.19Å; S2476-N2512 WeakPolarHBondContact CB-OD1 3.09Å; S2476-N2512 PolarHBondContact OG-OD1 3.3Å; N2512-D2514 PolarHBondContact O-N 3.12Å; N2512-D2514 VanDerWaalsContact O-N 3.15Å; N2512-F2515 PolarHBondContact O-N 2.94Å | ||
| 2513 | A | 80 | Confident | 87.5 | Confident | 19 Ų | 19 | 27.2 Ų | 27.2 | 16% | 0.157 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -30.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D2291 T2297 L2516 | D2291-A2513 HydrophobicContact CB-CB 4.07Å; D2291-A2513 PolarHBondContact OD2-N 3.22Å; T2297-A2513 HydrophobicContact CG2-CB 4.44Å; A2513-L2516 PolarHBondContact O-N 2.93Å |
| 2514 | D | 79.3 | Confident | 87.3 | Confident | 59 Ų | 59 | 26.8 Ų | 26.8 | 32% | 0.316 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -56.9 | -48.9 | 172.6 | -87.6 | 6.9 | 0 | 0 | 0 | 112.2 | R2481 N2512 L2516 R2517 V2518 | R2481-D2514 IonicContact CZ-OD2 3.88Å; R2481-D2514 IonicContact NH2-OD2 2.83Å; R2481-D2514 PolarHBondContact NH2-OD2 2.03Å; N2512-D2514 PolarHBondContact O-N 3.12Å; N2512-D2514 VanDerWaalsContact O-N 3.15Å; D2514-L2516 PolarHBondContact O-N 3.4Å; D2514-R2517 PolarHBondContact O-N 2.77Å; D2514-V2518 HydrophobicContact CB-CG2 3.95Å; D2514-V2518 VanDerWaalsContact O-CB 3.25Å; D2514-V2518 WeakPolarHBondContact O-CB 3.22Å; D2514-V2518 VanDerWaalsContact O-CG2 3.28Å; D2514-V2518 WeakPolarHBondContact O-CG2 3.49Å; D2514-V2518 PolarHBondContact O-N 3.27Å |
| 2515 | F | 85.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.8 | -38.2 | -175.4 | 167.2 | -88.4 | 0 | 0 | 0 | 111.5 | V2475 M2479 L2492 L2511 N2512 R2517 G2524 L2528 | V2475-F2515 HydrophobicContact CB-CD2 4.09Å; V2475-F2515 HydrophobicContact CB-CE2 4.36Å; V2475-F2515 HydrophobicContact CG1-CD2 3.63Å; V2475-F2515 HydrophobicContact CG1-CE2 3.52Å; M2479-F2515 HydrophobicContact CE-CD2 3.85Å; M2479-F2515 HydrophobicContact CE-CE2 3.54Å; M2479-F2515 HydrophobicContact SD-CD2 4.21Å; M2479-F2515 HydrophobicContact SD-CE2 4.45Å; L2492-F2515 HydrophobicContact CD1-CZ 4.33Å; L2511-F2515 HydrophobicContact CB-CD1 4.34Å; L2511-F2515 HydrophobicContact CD1-CD1 4.45Å; L2511-F2515 HydrophobicContact CD1-CE1 4.27Å; L2511-F2515 HydrophobicContact CD2-CD1 3.77Å; L2511-F2515 HydrophobicContact CD2-CD2 4.25Å; L2511-F2515 HydrophobicContact CD2-CE1 3.84Å; L2511-F2515 HydrophobicContact CD2-CE2 4.28Å; L2511-F2515 HydrophobicContact CD2-CG 4Å; L2511-F2515 HydrophobicContact CD2-CZ 4.1Å; L2511-F2515 HydrophobicContact CG-CD1 4.42Å; N2512-F2515 PolarHBondContact O-N 2.94Å; F2515-R2517 PolarHBondContact O-N 3.1Å; F2515-G2524 WeakPolarHBondContact CE1-O 3.04Å; F2515-G2524 WeakPolarHBondContact CZ-O 3.18Å; F2515-G2524 WeakPolarHBondContact O-CA 3.35Å; F2515-L2528 HydrophobicContact CE1-CB 4.38Å |
| 2516 | L | 84.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.7 | -26.3 | -175.4 | -62.1 | 170.8 | 0 | 0 | 0 | 113.2 | F2289 I2300 Y2301 A2513 D2514 V2525 L2528 | F2289-L2516 HydrophobicContact CD1-CD1 4.38Å; F2289-L2516 HydrophobicContact CE1-CD1 4.34Å; F2289-L2516 HydrophobicContact CE1-CD2 4.42Å; I2300-L2516 HydrophobicContact CD1-CB 4.33Å; I2300-L2516 HydrophobicContact CG2-CD1 4.38Å; I2300-L2516 HydrophobicContact CG2-CD2 4.4Å; Y2301-L2516 HydrophobicContact CE1-CD1 3.75Å; A2513-L2516 PolarHBondContact O-N 2.93Å; D2514-L2516 PolarHBondContact O-N 3.4Å; L2516-V2525 HydrophobicContact CB-CG2 4.34Å; L2516-V2525 HydrophobicContact CD2-CG2 4.12Å; L2516-L2528 HydrophobicContact CD2-CD2 4.48Å |
| 2517 | R | 82.4 | Confident | 86.6 | Confident | 93 Ų | 93 | 33.4 Ų | 33.4 | 35% | 0.351 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -126 | -20 | -173.5 | -59 | -157.2 | -151.3 | 93.2 | 10.2 | 117.4 | V2296 I2300 D2514 F2515 L2519 | V2296-R2517 PolarHBondContact O-NH2 3.42Å; I2300-R2517 HydrophobicContact CD1-CG 4.19Å; D2514-R2517 PolarHBondContact O-N 2.77Å; F2515-R2517 PolarHBondContact O-N 3.1Å; R2517-L2519 VanDerWaalsContact C-N 3.3Å; R2517-L2519 PolarHBondContact O-N 3.08Å |
| 2518 | V | 78.4 | Confident | 86.5 | Confident | 62 Ų | 62 | 33.4 Ų | 33.4 | 38% | 0.376 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -73.8 | -24.2 | -174 | 172.9 | 0 | 0 | 0 | 0 | 112 | R2481 D2514 | R2481-V2518 HydrophobicContact CB-CG1 4.31Å; R2481-V2518 HydrophobicContact CG-CG1 4.08Å; D2514-V2518 HydrophobicContact CB-CG2 3.95Å; D2514-V2518 VanDerWaalsContact O-CB 3.25Å; D2514-V2518 WeakPolarHBondContact O-CB 3.22Å; D2514-V2518 VanDerWaalsContact O-CG2 3.28Å; D2514-V2518 WeakPolarHBondContact O-CG2 3.49Å; D2514-V2518 PolarHBondContact O-N 3.27Å |
| 2519 | L | 82.1 | Confident | 86.4 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -75.4 | 136.1 | 172.3 | -69.4 | -167.9 | 0 | 0 | 0 | 111.7 | M2479 A2488 R2517 G2523 | M2479-L2519 HydrophobicContact CE-CD1 3.9Å; M2479-L2519 HydrophobicContact CG-CD2 4.4Å; M2479-L2519 HydrophobicContact SD-CD1 3.63Å; M2479-L2519 HydrophobicContact SD-CD2 3.76Å; M2479-L2519 HydrophobicContact SD-CG 3.79Å; A2488-L2519 HydrophobicContact CB-CD1 3.72Å; R2517-L2519 VanDerWaalsContact C-N 3.3Å; R2517-L2519 PolarHBondContact O-N 3.08Å; L2519-G2523 PolarHBondContact O-N 3.42Å |
| 2520 | P | 74.4 | Confident | 86.3 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 53% | 0.526 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 142.5 | 178.4 | -27.1 | 34.5 | 0 | 0 | 0 | 113.9 | D2522 G2523 | P2520-D2522 PolarHBondContact O-N 3.24Å; P2520-G2523 PolarHBondContact O-N 2.74Å; P2520-G2523 VanDerWaalsContact O-N 3.13Å |
| 2521 | N | 74.1 | Confident | 86.4 | Confident | 104 Ų | 104 | 40.1 Ų | 40.1 | 56% | 0.556 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 49.5 | 176.1 | -55.1 | -10.2 | 0 | 0 | 0 | 112.7 | G2523 R2526 | N2521-G2523 PolarHBondContact O-N 3.17Å; N2521-G2523 VanDerWaalsContact O-N 3.16Å; N2521-R2526 VanDerWaalsContact O-CD 3.26Å; N2521-R2526 WeakPolarHBondContact O-CD 3.34Å; N2521-R2526 PolarHBondContact O-NH1 2.83Å |
| 2522 | D | 81.5 | Confident | 86.6 | Confident | 87 Ų | 87 | 40.2 Ų | 40.2 | 47% | 0.465 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 38.6 | -176.5 | -59.2 | -47.5 | 0 | 0 | 0 | 113.2 | P2520 G2524 V2525 R2526 | P2520-D2522 PolarHBondContact O-N 3.24Å; D2522-G2524 PolarHBondContact O-N 3.05Å; D2522-G2524 VanDerWaalsContact O-N 3.11Å; D2522-V2525 PolarHBondContact O-N 3.36Å; D2522-R2526 PolarHBondContact O-N 2.88Å; D2522-R2526 VanDerWaalsContact O-N 3.09Å |
| 2523 | G | 84.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.2 | -28 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A2485 L2519 P2520 N2521 A2527 | A2485-G2523 WeakPolarHBondContact CB-O 3.19Å; L2519-G2523 PolarHBondContact O-N 3.42Å; P2520-G2523 PolarHBondContact O-N 2.74Å; P2520-G2523 VanDerWaalsContact O-N 3.13Å; N2521-G2523 PolarHBondContact O-N 3.17Å; N2521-G2523 VanDerWaalsContact O-N 3.16Å; G2523-A2527 WeakPolarHBondContact O-CB 3.48Å; G2523-A2527 PolarHBondContact O-N 2.73Å |
| 2524 | G | 88.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.5 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | F2515 D2522 L2528 | F2515-G2524 WeakPolarHBondContact CE1-O 3.04Å; F2515-G2524 WeakPolarHBondContact CZ-O 3.18Å; F2515-G2524 WeakPolarHBondContact O-CA 3.35Å; D2522-G2524 PolarHBondContact O-N 3.05Å; D2522-G2524 VanDerWaalsContact O-N 3.11Å; G2524-L2528 WeakPolarHBondContact O-CB 3.35Å; G2524-L2528 PolarHBondContact O-N 3.12Å |
| 2525 | V | 92.4 | Very high | 88.6 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 12% | 0.121 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -51.4 | 174 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | I2300 L2516 D2522 A2527 L2528 E2529 | I2300-V2525 HydrophobicContact CG2-CG1 4.38Å; I2300-V2525 HydrophobicContact CG2-CG2 3.66Å; L2516-V2525 HydrophobicContact CB-CG2 4.34Å; L2516-V2525 HydrophobicContact CD2-CG2 4.12Å; D2522-V2525 PolarHBondContact O-N 3.36Å; V2525-A2527 VanDerWaalsContact C-N 3.28Å; V2525-A2527 PolarHBondContact O-N 3.22Å; V2525-L2528 WeakPolarHBondContact O-CA 3.11Å; V2525-L2528 WeakPolarHBondContact O-CB 3.04Å; V2525-L2528 PolarHBondContact O-N 2.82Å; V2525-E2529 HydrophobicContact CG1-CG 4.23Å; V2525-E2529 WeakPolarHBondContact O-CG 3.42Å; V2525-E2529 PolarHBondContact O-N 2.87Å |
| 2526 | R | 89.4 | Confident | 89.1 | Confident | 138 Ų | 138 | 45.9 Ų | 45.9 | 52% | 0.521 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.4 | -36.9 | -179.6 | -66.1 | 171 | 64.5 | -158.5 | 1 | 112.7 | A2485 N2521 D2522 K2530 | A2485-R2526 HydrophobicContact CB-CB 4.29Å; N2521-R2526 VanDerWaalsContact O-CD 3.26Å; N2521-R2526 WeakPolarHBondContact O-CD 3.34Å; N2521-R2526 PolarHBondContact O-NH1 2.83Å; D2522-R2526 PolarHBondContact O-N 2.88Å; D2522-R2526 VanDerWaalsContact O-N 3.09Å; R2526-K2530 VanDerWaalsContact O-CB 3.31Å; R2526-K2530 WeakPolarHBondContact O-CB 3.14Å; R2526-K2530 PolarHBondContact O-N 3.35Å; R2526-K2530 VanDerWaalsContact O-N 3.08Å |
| 2527 | A | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A2485 A2488 G2523 V2525 F2531 | A2485-A2527 WeakPolarHBondContact O-CB 3.32Å; A2488-A2527 HydrophobicContact CB-CB 3.5Å; G2523-A2527 WeakPolarHBondContact O-CB 3.48Å; G2523-A2527 PolarHBondContact O-N 2.73Å; V2525-A2527 VanDerWaalsContact C-N 3.28Å; V2525-A2527 PolarHBondContact O-N 3.22Å; A2527-F2531 VanDerWaalsContact O-CB 3.22Å; A2527-F2531 WeakPolarHBondContact O-CB 3.04Å; A2527-F2531 PolarHBondContact O-N 2.03Å |
| 2528 | L | 95.5 | Very high | 90 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 178.6 | -178.2 | 61.9 | 0 | 0 | 0 | 112.1 | F2289 L2304 L2492 L2509 L2511 F2515 L2516 G2524 V2525 F2531 L2532 | F2289-L2528 HydrophobicContact CE1-CD2 4.5Å; F2289-L2528 HydrophobicContact CZ-CD2 4.39Å; L2304-L2528 HydrophobicContact CD1-CD2 4.24Å; L2304-L2528 HydrophobicContact CD1-CG 4.4Å; L2304-L2528 HydrophobicContact CD2-CD2 3.59Å; L2492-L2528 HydrophobicContact CD1-CD1 4.42Å; L2509-L2528 HydrophobicContact CD2-CD1 3.82Å; L2511-L2528 HydrophobicContact CD1-CD1 3.95Å; L2511-L2528 HydrophobicContact CD1-CD2 3.59Å; L2511-L2528 HydrophobicContact CD1-CG 4.41Å; F2515-L2528 HydrophobicContact CE1-CB 4.38Å; L2516-L2528 HydrophobicContact CD2-CD2 4.48Å; G2524-L2528 WeakPolarHBondContact O-CB 3.35Å; G2524-L2528 PolarHBondContact O-N 3.12Å; V2525-L2528 WeakPolarHBondContact O-CA 3.11Å; V2525-L2528 WeakPolarHBondContact O-CB 3.04Å; V2525-L2528 PolarHBondContact O-N 2.82Å; L2528-F2531 HydrophobicContact CD1-CD1 4.38Å; L2528-F2531 WeakPolarHBondContact O-CB 3.42Å; L2528-F2531 PolarHBondContact O-N 3.07Å; L2528-L2532 HydrophobicContact CD1-CD1 4.43Å; L2528-L2532 HydrophobicContact CD1-CG 4.34Å; L2528-L2532 HydrophobicContact CG-CD1 4.21Å; L2528-L2532 WeakPolarHBondContact O-CB 3.01Å; L2528-L2532 WeakPolarHBondContact O-CG 3.41Å; L2528-L2532 PolarHBondContact O-N 3.38Å |
| 2529 | E | 94.6 | Very high | 90.5 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 22% | 0.22 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 175.4 | -68.3 | -178.5 | 128.2 | 0 | 0 | 111.5 | L2304 R2308 Y2309 V2525 F2531 L2532 S2533 | L2304-E2529 HydrophobicContact CD1-CG 3.94Å; R2308-E2529 IonicContact CZ-OE1 3.85Å; R2308-E2529 IonicContact NH1-OE1 3.57Å; R2308-E2529 PolarHBondContact NH1-OE1 2.91Å; R2308-E2529 VanDerWaalsContact NH1-OE1 3.08Å; R2308-E2529 VanDerWaalsContact NH2-CD 3.26Å; R2308-E2529 IonicContact NH2-OE1 3.34Å; R2308-E2529 PolarHBondContact NH2-OE1 2.04Å; Y2309-E2529 WeakPolarHBondContact OH-CA 3.39Å; Y2309-E2529 PolarHBondContact OH-O 3.24Å; V2525-E2529 HydrophobicContact CG1-CG 4.23Å; V2525-E2529 WeakPolarHBondContact O-CG 3.42Å; V2525-E2529 PolarHBondContact O-N 2.87Å; E2529-F2531 VanDerWaalsContact C-N 3.29Å; E2529-F2531 PolarHBondContact O-N 3.29Å; E2529-L2532 PolarHBondContact O-N 2.88Å; E2529-S2533 WeakPolarHBondContact O-CB 3.05Å; E2529-S2533 PolarHBondContact O-N 3.29Å; E2529-S2533 PolarHBondContact O-OG 3.37Å |
| 2530 | K | 94.4 | Very high | 91.1 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 44% | 0.443 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 174.5 | -169.3 | 179.9 | 178.8 | 175.8 | 0 | 111.8 | E2486 Y2489 R2526 K2534 | E2486-K2530 IonicContact OE2-NZ 2.77Å; E2486-K2530 PolarHBondContact OE2-NZ 3.45Å; Y2489-K2530 HydrophobicContact CD1-CD 3.93Å; Y2489-K2530 HydrophobicContact CD2-CB 3.9Å; Y2489-K2530 HydrophobicContact CD2-CD 3.88Å; Y2489-K2530 HydrophobicContact CD2-CG 3.68Å; Y2489-K2530 HydrophobicContact CE1-CD 4.17Å; Y2489-K2530 HydrophobicContact CE2-CB 4.29Å; Y2489-K2530 HydrophobicContact CE2-CD 4.12Å; Y2489-K2530 HydrophobicContact CE2-CG 3.69Å; Y2489-K2530 HydrophobicContact CG-CB 4.47Å; Y2489-K2530 HydrophobicContact CG-CD 3.78Å; Y2489-K2530 HydrophobicContact CG-CG 4.13Å; R2526-K2530 VanDerWaalsContact O-CB 3.31Å; R2526-K2530 WeakPolarHBondContact O-CB 3.14Å; R2526-K2530 PolarHBondContact O-N 3.35Å; R2526-K2530 VanDerWaalsContact O-N 3.08Å; K2530-K2534 WeakPolarHBondContact O-CB 3.43Å; K2530-K2534 PolarHBondContact O-N 3.28Å; K2530-K2534 VanDerWaalsContact O-N 3.15Å |
| 2531 | F | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -53.7 | 175.3 | 173 | -101.7 | 0 | 0 | 0 | 111.8 | Y2489 L2492 L2493 F2496 F2507 L2509 A2527 L2528 E2529 S2533 K2534 I2535 | Y2489-F2531 HydrophobicContact CD2-CB 4.17Å; L2492-F2531 HydrophobicContact CB-CB 4.29Å; L2492-F2531 HydrophobicContact CB-CD1 4.47Å; L2492-F2531 HydrophobicContact CB-CD2 3.58Å; L2492-F2531 HydrophobicContact CB-CE2 3.99Å; L2492-F2531 HydrophobicContact CB-CG 3.86Å; L2492-F2531 HydrophobicContact CD1-CB 3.87Å; L2492-F2531 HydrophobicContact CD1-CD1 4.33Å; L2492-F2531 HydrophobicContact CD1-CG 4.02Å; L2493-F2531 HydrophobicContact CB-CD2 4.47Å; F2496-F2531 HydrophobicContact CB-CE2 3.69Å; F2496-F2531 HydrophobicContact CB-CZ 3.88Å; F2496-F2531 HydrophobicContact CD2-CE2 4.39Å; F2496-F2531 AromaticContact CD2-CZ 3.98Å; F2496-F2531 HydrophobicContact CD2-CZ 3.98Å; F2496-F2531 HydrophobicContact CG-CE2 4.03Å; F2496-F2531 HydrophobicContact CG-CZ 4.06Å; F2507-F2531 HydrophobicContact CD1-CZ 4.2Å; F2507-F2531 HydrophobicContact CE1-CE1 4.26Å; F2507-F2531 HydrophobicContact CE1-CE2 4.46Å; F2507-F2531 AromaticContact CE1-CZ 3.65Å; F2507-F2531 HydrophobicContact CE1-CZ 3.65Å; L2509-F2531 HydrophobicContact CD2-CD1 4.43Å; L2509-F2531 HydrophobicContact CD2-CE1 4.05Å; A2527-F2531 VanDerWaalsContact O-CB 3.22Å; A2527-F2531 WeakPolarHBondContact O-CB 3.04Å; A2527-F2531 PolarHBondContact O-N 2.03Å; L2528-F2531 HydrophobicContact CD1-CD1 4.38Å; L2528-F2531 WeakPolarHBondContact O-CB 3.42Å; L2528-F2531 PolarHBondContact O-N 3.07Å; E2529-F2531 VanDerWaalsContact C-N 3.29Å; E2529-F2531 PolarHBondContact O-N 3.29Å; F2531-S2533 PolarHBondContact O-N 3.49Å; F2531-K2534 WeakPolarHBondContact O-CA 3.5Å; F2531-K2534 WeakPolarHBondContact O-CB 3.03Å; F2531-K2534 PolarHBondContact O-N 2.6Å; F2531-I2535 HydrophobicContact CD1-CD1 4.3Å; F2531-I2535 HydrophobicContact CD1-CG1 4.47Å; F2531-I2535 HydrophobicContact CD2-CG2 4.09Å; F2531-I2535 HydrophobicContact CE1-CD1 3.58Å; F2531-I2535 HydrophobicContact CE1-CG1 4.16Å; F2531-I2535 HydrophobicContact CE1-CG2 4.44Å; F2531-I2535 HydrophobicContact CE2-CG2 3.62Å; F2531-I2535 HydrophobicContact CZ-CD1 3.78Å; F2531-I2535 HydrophobicContact CZ-CG1 4.3Å; F2531-I2535 HydrophobicContact CZ-CG2 3.81Å; F2531-I2535 WeakPolarHBondContact O-CG1 3.43Å; F2531-I2535 PolarHBondContact O-N 3.06Å |
| 2532 | L | 97.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.7 | -48.6 | 178.7 | -73.2 | 172 | 0 | 0 | 0 | 111.5 | L2304 Y2309 I2317 L2528 E2529 K2534 I2535 L2536 V2543 | L2304-L2532 HydrophobicContact CD1-CD1 3.86Å; Y2309-L2532 HydrophobicContact CD1-CB 4.09Å; Y2309-L2532 HydrophobicContact CD2-CD1 4.03Å; Y2309-L2532 HydrophobicContact CE1-CB 3.79Å; Y2309-L2532 HydrophobicContact CE2-CB 4.24Å; Y2309-L2532 HydrophobicContact CE2-CD1 3.95Å; Y2309-L2532 HydrophobicContact CG-CB 4.45Å; I2317-L2532 HydrophobicContact CD1-CD1 4.19Å; I2317-L2532 HydrophobicContact CD1-CD2 4.22Å; L2528-L2532 HydrophobicContact CD1-CD1 4.43Å; L2528-L2532 HydrophobicContact CD1-CG 4.34Å; L2528-L2532 HydrophobicContact CG-CD1 4.21Å; L2528-L2532 WeakPolarHBondContact O-CB 3.01Å; L2528-L2532 WeakPolarHBondContact O-CG 3.41Å; L2528-L2532 PolarHBondContact O-N 3.38Å; E2529-L2532 PolarHBondContact O-N 2.88Å; L2532-K2534 PolarHBondContact O-N 3.09Å; L2532-I2535 PolarHBondContact O-N 2.74Å; L2532-L2536 HydrophobicContact CB-CD1 4.47Å; L2532-L2536 WeakPolarHBondContact O-CB 3.27Å; L2532-L2536 WeakPolarHBondContact O-CG 3.5Å; L2532-L2536 PolarHBondContact O-N 2.04Å; L2532-V2543 HydrophobicContact CD2-CG2 4.29Å |
| 2533 | S | 94.6 | Very high | 94.1 | Very high | 66 Ų | 66 | 40.5 Ų | 40.5 | 46% | 0.462 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.4 | -33.9 | 174.6 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | Y2309 E2529 F2531 | Y2309-S2533 WeakPolarHBondContact CE1-OG 3.33Å; Y2309-S2533 PolarHBondContact OH-OG 2.85Å; Y2309-S2533 VanDerWaalsContact OH-OG 3.13Å; E2529-S2533 WeakPolarHBondContact O-CB 3.05Å; E2529-S2533 PolarHBondContact O-N 3.29Å; E2529-S2533 PolarHBondContact O-OG 3.37Å; F2531-S2533 PolarHBondContact O-N 3.49Å |
| 2534 | K | 96.7 | Very high | 94.6 | Very high | 122 Ų | 122 | 40.7 Ų | 40.7 | 53% | 0.53 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -79.6 | -35.3 | -179.6 | -172.3 | 59.6 | 173.8 | 179.6 | 0 | 113.5 | Y2489 K2530 F2531 L2532 | Y2489-K2534 HydrophobicContact CE2-CB 4.21Å; K2530-K2534 WeakPolarHBondContact O-CB 3.43Å; K2530-K2534 PolarHBondContact O-N 3.28Å; K2530-K2534 VanDerWaalsContact O-N 3.15Å; F2531-K2534 WeakPolarHBondContact O-CA 3.5Å; F2531-K2534 WeakPolarHBondContact O-CB 3.03Å; F2531-K2534 PolarHBondContact O-N 2.6Å; L2532-K2534 PolarHBondContact O-N 3.09Å |
| 2535 | I | 97.6 | Very high | 95 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -84.3 | -38 | -178.4 | 63.3 | 155.6 | 0 | 0 | 0 | 112.7 | V2285 F2496 F2531 L2532 A2537 R2538 V2541 V2543 | V2285-I2535 HydrophobicContact CG1-CD1 4.31Å; V2285-I2535 HydrophobicContact CG2-CD1 3.98Å; F2496-I2535 HydrophobicContact CD1-CG2 3.93Å; F2496-I2535 HydrophobicContact CD2-CG2 4.07Å; F2496-I2535 HydrophobicContact CE1-CG2 3.82Å; F2496-I2535 HydrophobicContact CE2-CB 4.2Å; F2496-I2535 HydrophobicContact CE2-CD1 4.29Å; F2496-I2535 HydrophobicContact CE2-CG2 3.94Å; F2496-I2535 HydrophobicContact CG-CG2 4.07Å; F2496-I2535 HydrophobicContact CZ-CB 4.11Å; F2496-I2535 HydrophobicContact CZ-CG2 3.82Å; F2531-I2535 HydrophobicContact CD1-CD1 4.3Å; F2531-I2535 HydrophobicContact CD1-CG1 4.47Å; F2531-I2535 HydrophobicContact CD2-CG2 4.09Å; F2531-I2535 HydrophobicContact CE1-CD1 3.58Å; F2531-I2535 HydrophobicContact CE1-CG1 4.16Å; F2531-I2535 HydrophobicContact CE1-CG2 4.44Å; F2531-I2535 HydrophobicContact CE2-CG2 3.62Å; F2531-I2535 HydrophobicContact CZ-CD1 3.78Å; F2531-I2535 HydrophobicContact CZ-CG1 4.3Å; F2531-I2535 HydrophobicContact CZ-CG2 3.81Å; F2531-I2535 WeakPolarHBondContact O-CG1 3.43Å; F2531-I2535 PolarHBondContact O-N 3.06Å; L2532-I2535 PolarHBondContact O-N 2.74Å; I2535-A2537 PolarHBondContact O-N 3.08Å; I2535-R2538 WeakPolarHBondContact O-CB 3.01Å; I2535-R2538 PolarHBondContact O-N 3.21Å; I2535-R2538 VanDerWaalsContact O-N 3.11Å; I2535-V2541 HydrophobicContact CB-CG1 4.2Å; I2535-V2541 HydrophobicContact CD1-CG1 4.04Å; I2535-V2541 HydrophobicContact CG1-CG1 4.4Å; I2535-V2543 HydrophobicContact CD1-CG2 4.23Å |
| 2536 | L | 96.4 | Very high | 95.3 | Very high | 31 Ų | 31 | 40 Ų | 40 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -12 | 178.7 | -68.7 | 169.4 | 0 | 0 | 0 | 113.4 | Y2309 I2317 L2532 R2538 V2543 | Y2309-L2536 HydrophobicContact CD1-CD1 3.72Å; Y2309-L2536 HydrophobicContact CG-CD1 4.12Å; I2317-L2536 HydrophobicContact CG2-CD1 3.98Å; I2317-L2536 HydrophobicContact CG2-CD2 4.21Å; L2532-L2536 HydrophobicContact CB-CD1 4.47Å; L2532-L2536 WeakPolarHBondContact O-CB 3.27Å; L2532-L2536 WeakPolarHBondContact O-CG 3.5Å; L2532-L2536 PolarHBondContact O-N 2.04Å; L2536-R2538 PolarHBondContact O-N 3.39Å; L2536-V2543 HydrophobicContact CD2-CG2 3.78Å; L2536-V2543 HydrophobicContact CG-CG2 4.37Å |
| 2537 | A | 92.3 | Very high | 95.6 | Very high | 81 Ų | 81 | 34.9 Ų | 34.9 | 67% | 0.669 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -0.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I2535 | I2535-A2537 PolarHBondContact O-N 3.08Š|
| 2538 | R | 93.5 | Very high | 95.7 | Very high | 115 Ų | 115 | 36 Ų | 36 | 43% | 0.434 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -107.5 | 125.4 | 173.2 | -67.9 | -179.5 | 168 | -82.7 | -9.8 | 110.3 | Y2500 I2535 L2536 D2540 V2541 | Y2500-R2538 PolarHBondContact OH-NH1 3.35Å; I2535-R2538 WeakPolarHBondContact O-CB 3.01Å; I2535-R2538 PolarHBondContact O-N 3.21Å; I2535-R2538 VanDerWaalsContact O-N 3.11Å; L2536-R2538 PolarHBondContact O-N 3.39Å; R2538-D2540 PolarHBondContact O-N 3.37Å; R2538-D2540 VanDerWaalsContact O-N 3.16Å; R2538-V2541 HydrophobicContact CB-CB 4.31Å; R2538-V2541 HydrophobicContact CB-CG2 3.68Å; R2538-V2541 HydrophobicContact CG-CG2 4.45Å; R2538-V2541 PolarHBondContact O-N 2.69Å |
| 2539 | P | 89.7 | Confident | 95.7 | Very high | 102 Ų | 102 | 36 Ų | 36 | 66% | 0.662 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8.7 | -179.3 | 30.4 | -36.3 | 0 | 0 | 0 | 114 | P2312 | P2312-P2539 VanDerWaalsContact CG-O 3.32Å; P2312-P2539 WeakPolarHBondContact CG-O 3.47Å |
| 2540 | D | 94.8 | Very high | 95.8 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 5.3 | 174.9 | 79.7 | -51.3 | 0 | 0 | 0 | 114.2 | P2282 Q2283 Y2500 K2504 R2538 L2559 | P2282-D2540 CarbonylContact C-O 3.54Å; P2282-D2540 WeakPolarHBondContact CA-O 3.49Å; Q2283-D2540 PolarHBondContact N-O 3.42Å; Y2500-D2540 WeakPolarHBondContact CE2-OD2 3.09Å; Y2500-D2540 PolarHBondContact OH-OD1 3.4Å; Y2500-D2540 PolarHBondContact OH-OD2 3.04Å; K2504-D2540 IonicContact NZ-OD2 2.74Å; K2504-D2540 PolarHBondContact NZ-OD2 2.99Å; R2538-D2540 PolarHBondContact O-N 3.37Å; R2538-D2540 VanDerWaalsContact O-N 3.16Å; D2540-L2559 HydrophobicContact CB-CD1 4.08Å; D2540-L2559 HydrophobicContact CB-CD2 3.62Å |
| 2541 | V | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.8 | 178.4 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | Q2283 V2285 P2312 F2496 Y2500 I2535 R2538 | Q2283-V2541 HydrophobicContact CB-CG2 4.23Å; Q2283-V2541 WeakPolarHBondContact O-CA 3.46Å; V2285-V2541 HydrophobicContact CG2-CG1 4.09Å; P2312-V2541 WeakPolarHBondContact CD-O 3.26Å; F2496-V2541 HydrophobicContact CE2-CG1 4.28Å; F2496-V2541 HydrophobicContact CE2-CG2 4.41Å; F2496-V2541 HydrophobicContact CZ-CG1 4.44Å; F2496-V2541 HydrophobicContact CZ-CG2 3.82Å; Y2500-V2541 HydrophobicContact CE2-CG2 4.15Å; I2535-V2541 HydrophobicContact CB-CG1 4.2Å; I2535-V2541 HydrophobicContact CD1-CG1 4.04Å; I2535-V2541 HydrophobicContact CG1-CG1 4.4Å; R2538-V2541 HydrophobicContact CB-CB 4.31Å; R2538-V2541 HydrophobicContact CB-CG2 3.68Å; R2538-V2541 HydrophobicContact CG-CG2 4.45Å; R2538-V2541 PolarHBondContact O-N 2.69Å |
| 2542 | W | 97 | Very high | 95.9 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 124 | -177.6 | -69.7 | 73.9 | 0 | 0 | 0 | 110.4 | Q2283 I2284 V2285 N2311 P2312 N2313 T2544 L2562 W2568 | Q2283-W2542 PolarHBondContact O-N 2.03Å; I2284-W2542 CarbonylContact C-O 3.54Å; V2285-W2542 PolarHBondContact N-O 3.26Å; N2311-W2542 HydrophobicContact CB-CE3 3.86Å; N2311-W2542 HydrophobicContact CB-CZ3 4.12Å; P2312-W2542 HydrophobicContact CB-CH2 4.48Å; P2312-W2542 HydrophobicContact CB-CZ2 3.91Å; P2312-W2542 HydrophobicContact CG-CD2 4.26Å; P2312-W2542 HydrophobicContact CG-CZ2 4.08Å; N2313-W2542 HydrophobicContact CB-CH2 3.83Å; N2313-W2542 HydrophobicContact CB-CZ3 4.24Å; W2542-T2544 HydrophobicContact CB-CG2 4.35Å; W2542-L2562 HydrophobicContact CH2-CB 4.14Å; W2542-L2562 HydrophobicContact CZ2-CB 3.7Å; W2542-L2562 HydrophobicContact CZ2-CD1 4.25Å; W2542-W2568 HydrophobicContact CB-CH2 4.35Å; W2542-W2568 HydrophobicContact CB-CZ3 3.92Å; W2542-W2568 AromaticContact CD2-CE3 3.71Å; W2542-W2568 HydrophobicContact CD2-CE3 3.71Å; W2542-W2568 AromaticContact CD2-CZ3 3.62Å; W2542-W2568 HydrophobicContact CD2-CZ3 3.62Å; W2542-W2568 HydrophobicContact CE3-CD2 4.3Å; W2542-W2568 AromaticContact CE3-CE3 3.36Å; W2542-W2568 HydrophobicContact CE3-CE3 3.36Å; W2542-W2568 AromaticContact CE3-CZ3 3.79Å; W2542-W2568 HydrophobicContact CE3-CZ3 3.79Å; W2542-W2568 HydrophobicContact CG-CE3 4.23Å; W2542-W2568 AromaticContact CG-CZ3 3.69Å; W2542-W2568 HydrophobicContact CG-CZ3 3.69Å; W2542-W2568 HydrophobicContact CH2-CE3 4.42Å; W2542-W2568 HydrophobicContact CZ3-CB 4.36Å; W2542-W2568 AromaticContact CZ3-CE3 3.75Å; W2542-W2568 HydrophobicContact CZ3-CE3 3.75Å; W2542-W2568 HydrophobicContact CZ3-CZ3 4.49Å |
| 2543 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.9 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | V2285 L2287 N2311 I2317 L2532 I2535 L2536 | V2285-V2543 HydrophobicContact CB-CG2 4.07Å; V2285-V2543 HydrophobicContact CG1-CG2 4.29Å; V2285-V2543 CarbonylContact O-C 3.54Å; V2285-V2543 VanDerWaalsContact O-CA 3.28Å; V2285-V2543 WeakPolarHBondContact O-CA 3.38Å; L2287-V2543 HydrophobicContact CB-CG1 3.87Å; L2287-V2543 HydrophobicContact CD2-CG1 4.46Å; N2311-V2543 PolarHBondContact ND2-O 2.68Å; N2311-V2543 PolarHBondContact OD1-N 2.8Å; N2311-V2543 PolarHBondContact OD1-O 2.78Å; I2317-V2543 HydrophobicContact CB-CB 3.97Å; I2317-V2543 HydrophobicContact CB-CG1 3.97Å; I2317-V2543 HydrophobicContact CD1-CG1 4.2Å; I2317-V2543 HydrophobicContact CG2-CB 3.76Å; I2317-V2543 HydrophobicContact CG2-CG1 4.29Å; I2317-V2543 HydrophobicContact CG2-CG2 4.36Å; L2532-V2543 HydrophobicContact CD2-CG2 4.29Å; I2535-V2543 HydrophobicContact CD1-CG2 4.23Å; L2536-V2543 HydrophobicContact CD2-CG2 3.78Å; L2536-V2543 HydrophobicContact CG-CG2 4.37Å |
| 2544 | T | 94.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 169.4 | -167.8 | 72.3 | 0 | 0 | 0 | 0 | 112.5 | I2284 V2285 L2287 W2542 W2568 | I2284-T2544 HydrophobicContact CG2-CG2 4.48Å; V2285-T2544 PolarHBondContact O-N 2.78Å; L2287-T2544 PolarHBondContact N-O 2.85Å; W2542-T2544 HydrophobicContact CB-CG2 4.35Å; T2544-W2568 HydrophobicContact CG2-CD2 4.4Å; T2544-W2568 HydrophobicContact CG2-CH2 4.47Å; T2544-W2568 HydrophobicContact CG2-CZ2 4.01Å |
| 2545 | T | 96.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | trans | -72.2 | 173.4 | 159.7 | 78.3 | 0 | 0 | 0 | 0 | 110.8 | K2318 T2320 E2342 A2547 D2548 G2549 | K2318-T2545 HydrophobicContact CB-CG2 3.51Å; K2318-T2545 HydrophobicContact CD-CG2 3.99Å; K2318-T2545 HydrophobicContact CG-CG2 4.45Å; T2320-T2545 WeakPolarHBondContact OG1-CA 3.1Å; E2342-T2545 HydrophobicContact CB-CG2 3.78Å; E2342-T2545 WeakPolarHBondContact OE2-CB 3.31Å; E2342-T2545 PolarHBondContact OE2-OG1 3.02Å; T2545-A2547 PolarHBondContact OG1-N 3.46Å; T2545-D2548 WeakPolarHBondContact OG1-CB 3.45Å; T2545-D2548 PolarHBondContact OG1-N 2.8Å; T2545-D2548 PolarHBondContact OG1-OD2 3.22Å; T2545-G2549 PolarHBondContact O-N 3.08Å; T2545-G2549 VanDerWaalsContact O-N 3.16Å | ||
| 2546 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.6 | -46 | 174.2 | -63.8 | 175.6 | 0 | 0 | 0 | 110 | M2286 T2288 T2320 F2322 E2342 Y2409 N2411 V2453 D2548 G2549 I2550 | M2286-I2546 HydrophobicContact CB-CG1 4.21Å; M2286-I2546 HydrophobicContact CE-CG2 4.41Å; M2286-I2546 HydrophobicContact CG-CG1 4.36Å; M2286-I2546 HydrophobicContact SD-CB 4.38Å; M2286-I2546 HydrophobicContact SD-CG1 4.03Å; M2286-I2546 HydrophobicContact SD-CG2 4.28Å; T2288-I2546 HydrophobicContact CG2-CD1 3.83Å; T2288-I2546 HydrophobicContact CG2-CG1 3.98Å; T2320-I2546 HydrophobicContact CG2-CD1 4.11Å; T2320-I2546 HydrophobicContact CG2-CG1 4.26Å; T2320-I2546 PolarHBondContact OG1-N 2.83Å; T2320-I2546 VanDerWaalsContact OG1-N 3.09Å; F2322-I2546 HydrophobicContact CE2-CD1 3.79Å; F2322-I2546 HydrophobicContact CZ-CD1 3.58Å; E2342-I2546 PolarHBondContact OE2-N 2.04Å; E2342-I2546 VanDerWaalsContact OE2-N 3.1Å; Y2409-I2546 HydrophobicContact CD1-CG2 4.24Å; Y2409-I2546 HydrophobicContact CD2-CG2 3.76Å; Y2409-I2546 HydrophobicContact CE1-CB 4.31Å; Y2409-I2546 HydrophobicContact CE1-CG2 4.02Å; Y2409-I2546 HydrophobicContact CE2-CB 3.99Å; Y2409-I2546 HydrophobicContact CE2-CD1 3.66Å; Y2409-I2546 HydrophobicContact CE2-CG1 4.45Å; Y2409-I2546 HydrophobicContact CE2-CG2 3.56Å; Y2409-I2546 HydrophobicContact CG-CG2 4.12Å; N2411-I2546 HydrophobicContact CB-CD1 3.97Å; N2411-I2546 WeakPolarHBondContact OD1-CD1 3.38Å; V2453-I2546 HydrophobicContact CG1-CG2 4.44Å; V2453-I2546 HydrophobicContact CG2-CG2 3.98Å; I2546-D2548 VanDerWaalsContact C-N 3.32Å; I2546-D2548 PolarHBondContact O-N 2.71Å; I2546-G2549 PolarHBondContact O-N 3.47Å; I2546-G2549 VanDerWaalsContact O-N 3.11Å; I2546-I2550 HydrophobicContact CG2-CD1 3.76Å; I2546-I2550 HydrophobicContact CG2-CG1 4.2Å; I2546-I2550 WeakPolarHBondContact O-CG1 3.32Å; I2546-I2550 PolarHBondContact O-N 2.83Å |
| 2547 | A | 95.8 | Very high | 95.5 | Very high | 31 Ų | 31 | 32.6 Ų | 32.6 | 26% | 0.256 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2342 T2545 G2549 I2550 A2551 | E2342-A2547 WeakPolarHBondContact OE1-CB 3.11Å; E2342-A2547 PolarHBondContact OE2-N 2.04Å; T2545-A2547 PolarHBondContact OG1-N 3.46Å; A2547-G2549 VanDerWaalsContact C-N 3.33Å; A2547-G2549 PolarHBondContact O-N 2.86Å; A2547-I2550 PolarHBondContact O-N 3.43Å; A2547-A2551 WeakPolarHBondContact O-CB 3.36Å; A2547-A2551 PolarHBondContact O-N 2.89Å |
| 2548 | D | 95.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 175 | -77.1 | -21.6 | 0 | 0 | 0 | 110.8 | K2318 T2545 I2546 A2551 W2552 W2568 | K2318-D2548 WeakPolarHBondContact CD-OD2 2.79Å; K2318-D2548 IonicContact NZ-OD1 2.67Å; K2318-D2548 IonicContact NZ-OD2 2.72Å; K2318-D2548 PolarHBondContact NZ-OD2 2.88Å; T2545-D2548 WeakPolarHBondContact OG1-CB 3.45Å; T2545-D2548 PolarHBondContact OG1-N 2.8Å; T2545-D2548 PolarHBondContact OG1-OD2 3.22Å; I2546-D2548 VanDerWaalsContact C-N 3.32Å; I2546-D2548 PolarHBondContact O-N 2.71Å; D2548-A2551 WeakPolarHBondContact O-CB 3.19Å; D2548-A2551 PolarHBondContact O-N 2.95Å; D2548-W2552 PolarHBondContact O-N 3.47Å; D2548-W2568 PolarHBondContact O-NE1 2.75Å |
| 2549 | G | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.8 | -37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T2545 I2546 A2547 A2551 W2552 I2553 | T2545-G2549 PolarHBondContact O-N 3.08Å; T2545-G2549 VanDerWaalsContact O-N 3.16Å; I2546-G2549 PolarHBondContact O-N 3.47Å; I2546-G2549 VanDerWaalsContact O-N 3.11Å; A2547-G2549 VanDerWaalsContact C-N 3.33Å; A2547-G2549 PolarHBondContact O-N 2.86Å; G2549-A2551 VanDerWaalsContact C-N 3.31Å; G2549-A2551 PolarHBondContact O-N 3.34Å; G2549-W2552 PolarHBondContact O-N 3.37Å; G2549-I2553 WeakPolarHBondContact O-CG1 3.15Å; G2549-I2553 PolarHBondContact O-N 2.68Å; G2549-I2553 VanDerWaalsContact O-N 3.12Å |
| 2550 | I | 97.7 | Very high | 95.3 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.036 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 170.7 | -67.9 | 171.7 | 0 | 0 | 0 | 110.1 | Y2409 W2451 V2453 I2546 A2547 W2552 I2553 R2554 | Y2409-I2550 HydrophobicContact CD1-CD1 3.86Å; Y2409-I2550 HydrophobicContact CG-CD1 3.78Å; W2451-I2550 HydrophobicContact CB-CD1 4.05Å; W2451-I2550 HydrophobicContact CD2-CG2 3.93Å; W2451-I2550 HydrophobicContact CE3-CG2 4.4Å; W2451-I2550 HydrophobicContact CG-CD1 4.38Å; W2451-I2550 HydrophobicContact CG-CG2 4.12Å; V2453-I2550 HydrophobicContact CG2-CD1 3.9Å; V2453-I2550 HydrophobicContact CG2-CG1 4.34Å; I2546-I2550 HydrophobicContact CG2-CD1 3.76Å; I2546-I2550 HydrophobicContact CG2-CG1 4.2Å; I2546-I2550 WeakPolarHBondContact O-CG1 3.32Å; I2546-I2550 PolarHBondContact O-N 2.83Å; A2547-I2550 PolarHBondContact O-N 3.43Å; I2550-W2552 VanDerWaalsContact C-N 3.28Å; I2550-W2552 PolarHBondContact O-N 3.11Å; I2550-I2553 PolarHBondContact O-N 3.12Å; I2550-R2554 HydrophobicContact CG2-CG 4.17Å; I2550-R2554 WeakPolarHBondContact O-CG 3.34Å; I2550-R2554 PolarHBondContact O-N 3.36Å |
| 2551 | A | 96 | Very high | 95.1 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 23% | 0.231 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.8 | -37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2547 D2548 G2549 R2554 Q2555 P2567 | A2547-A2551 WeakPolarHBondContact O-CB 3.36Å; A2547-A2551 PolarHBondContact O-N 2.89Å; D2548-A2551 WeakPolarHBondContact O-CB 3.19Å; D2548-A2551 PolarHBondContact O-N 2.95Å; G2549-A2551 VanDerWaalsContact C-N 3.31Å; G2549-A2551 PolarHBondContact O-N 3.34Å; A2551-R2554 PolarHBondContact O-N 3.31Å; A2551-Q2555 PolarHBondContact O-N 3.43Å; A2551-Q2555 VanDerWaalsContact O-N 3.09Å; A2551-P2567 HydrophobicContact CB-CB 3.94Å; A2551-P2567 HydrophobicContact CB-CG 4.1Å |
| 2552 | W | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.9 | -40.3 | 170.8 | -175.7 | 93.1 | 0 | 0 | 0 | 112.7 | P2273 L2276 V2281 P2282 I2284 W2425 D2548 G2549 I2550 R2554 Q2555 P2556 T2557 F2565 W2568 | P2273-W2552 HydrophobicContact CB-CZ3 4.3Å; P2273-W2552 HydrophobicContact CG-CZ3 4.39Å; L2276-W2552 HydrophobicContact CD1-CH2 4.2Å; L2276-W2552 HydrophobicContact CD1-CZ2 3.93Å; V2281-W2552 HydrophobicContact CG1-CH2 4.12Å; P2282-W2552 HydrophobicContact CG-CD2 4.48Å; P2282-W2552 HydrophobicContact CG-CZ2 4.1Å; I2284-W2552 HydrophobicContact CD1-CB 4.09Å; I2284-W2552 HydrophobicContact CD1-CD2 3.94Å; I2284-W2552 HydrophobicContact CD1-CE3 3.81Å; I2284-W2552 HydrophobicContact CD1-CG 4.06Å; W2425-W2552 HydrophobicContact CH2-CH2 4.25Å; W2425-W2552 AromaticContact CH2-CZ3 3.71Å; W2425-W2552 HydrophobicContact CH2-CZ3 3.71Å; W2425-W2552 HydrophobicContact CZ3-CE3 4.29Å; W2425-W2552 AromaticContact CZ3-CZ3 3.67Å; W2425-W2552 HydrophobicContact CZ3-CZ3 3.67Å; D2548-W2552 PolarHBondContact O-N 3.47Å; G2549-W2552 PolarHBondContact O-N 3.37Å; I2550-W2552 VanDerWaalsContact C-N 3.28Å; I2550-W2552 PolarHBondContact O-N 3.11Å; W2552-R2554 VanDerWaalsContact C-N 3.27Å; W2552-R2554 PolarHBondContact O-N 2.89Å; W2552-Q2555 CarbonylContact O-C 3.58Å; W2552-Q2555 PolarHBondContact O-N 2.96Å; W2552-Q2555 VanDerWaalsContact O-N 3.12Å; W2552-P2556 HydrophobicContact CH2-CB 4.15Å; W2552-P2556 HydrophobicContact CZ2-CB 4.26Å; W2552-P2556 HydrophobicContact CZ3-CB 4.47Å; W2552-P2556 VanDerWaalsContact O-CA 3.27Å; W2552-P2556 WeakPolarHBondContact O-CA 3.42Å; W2552-T2557 PolarHBondContact NE1-O 3.25Å; W2552-F2565 HydrophobicContact CB-CE1 4.05Å; W2552-F2565 HydrophobicContact CB-CZ 4.3Å; W2552-W2568 HydrophobicContact CB-CH2 4.02Å; W2552-W2568 HydrophobicContact CB-CZ2 3.41Å; W2552-W2568 VanDerWaalsContact CB-CZ2 3.41Å; W2552-W2568 AromaticContact CD1-CH2 3.8Å; W2552-W2568 AromaticContact CG-CH2 3.94Å; W2552-W2568 HydrophobicContact CG-CH2 3.94Å; W2552-W2568 AromaticContact CG-CZ2 3.85Å; W2552-W2568 HydrophobicContact CG-CZ2 3.85Å |
| 2553 | I | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.3 | -37 | 176.2 | -63.6 | 168.8 | 0 | 0 | 0 | 110.8 | L2260 Y2264 P2273 W2425 P2426 W2451 P2506 G2549 I2550 Q2555 P2556 | L2260-I2553 WeakPolarHBondContact CD1-O 3.46Å; L2260-I2553 WeakPolarHBondContact CD2-O 3.43Å; Y2264-I2553 HydrophobicContact CD1-CG2 4.38Å; P2273-I2553 HydrophobicContact CB-CG2 4.13Å; P2273-I2553 HydrophobicContact CG-CG1 4.38Å; P2273-I2553 HydrophobicContact CG-CG2 3.81Å; W2425-I2553 HydrophobicContact CE3-CD1 4.16Å; W2425-I2553 HydrophobicContact CE3-CG1 4.23Å; W2425-I2553 HydrophobicContact CZ3-CD1 4.37Å; W2425-I2553 HydrophobicContact CZ3-CG1 4.09Å; P2426-I2553 HydrophobicContact CB-CD1 3.87Å; P2426-I2553 HydrophobicContact CG-CD1 3.59Å; W2451-I2553 HydrophobicContact CH2-CG2 3.73Å; W2451-I2553 HydrophobicContact CZ3-CB 4.36Å; W2451-I2553 HydrophobicContact CZ3-CG2 3.5Å; P2506-I2553 HydrophobicContact CG-CD1 4.24Å; G2549-I2553 WeakPolarHBondContact O-CG1 3.15Å; G2549-I2553 PolarHBondContact O-N 2.68Å; G2549-I2553 VanDerWaalsContact O-N 3.12Å; I2550-I2553 PolarHBondContact O-N 3.12Å; I2553-Q2555 VanDerWaalsContact C-N 3.33Å; I2553-Q2555 PolarHBondContact O-N 2.91Å; I2553-P2556 WeakPolarHBondContact O-CD 3.3Å; I2553-P2556 WeakPolarHBondContact O-CG 3.28Å |
| 2554 | R | 95.1 | Very high | 93.4 | Very high | 86 Ų | 86 | 51.1 Ų | 51.1 | 33% | 0.325 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.8 | -30.7 | 173.4 | -69 | -168.4 | -176.2 | -172.3 | 1.5 | 113.4 | P2261 W2451 I2550 A2551 W2552 | P2261-R2554 WeakPolarHBondContact CA-O 3.05Å; P2261-R2554 HydrophobicContact CB-CB 3.91Å; P2261-R2554 HydrophobicContact CB-CG 4.41Å; P2261-R2554 WeakPolarHBondContact O-CG 3.33Å; W2451-R2554 VanDerWaalsContact CD1-NH2 3.34Å; W2451-R2554 HydrophobicContact CH2-CG 4.32Å; W2451-R2554 HydrophobicContact CZ2-CG 3.76Å; I2550-R2554 HydrophobicContact CG2-CG 4.17Å; I2550-R2554 WeakPolarHBondContact O-CG 3.34Å; I2550-R2554 PolarHBondContact O-N 3.36Å; A2551-R2554 PolarHBondContact O-N 3.31Å; W2552-R2554 VanDerWaalsContact C-N 3.27Å; W2552-R2554 PolarHBondContact O-N 2.89Å |
| 2555 | Q | 94.8 | Very high | 93.4 | Very high | 124 Ų | 124 | 51.5 Ų | 51.5 | 58% | 0.579 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -135 | 75.8 | 177.5 | -170.1 | -178.5 | 3.3 | 0 | 0 | 111.3 | A2551 W2552 I2553 T2557 F2565 | A2551-Q2555 PolarHBondContact O-N 3.43Å; A2551-Q2555 VanDerWaalsContact O-N 3.09Å; W2552-Q2555 CarbonylContact O-C 3.58Å; W2552-Q2555 PolarHBondContact O-N 2.96Å; W2552-Q2555 VanDerWaalsContact O-N 3.12Å; I2553-Q2555 VanDerWaalsContact C-N 3.33Å; I2553-Q2555 PolarHBondContact O-N 2.91Å; Q2555-T2557 PolarHBondContact O-N 3.3Å; Q2555-T2557 PolarHBondContact O-OG1 2.91Å; Q2555-F2565 HydrophobicContact CB-CE2 4.13Å; Q2555-F2565 HydrophobicContact CB-CZ 4.48Å; Q2555-F2565 HydrophobicContact CG-CE2 4.27Å |
| 2556 | P | 94.4 | Very high | 92.8 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 22% | 0.221 | 27% | 0.269 | C | S | . | . | trans | -60.3 | 106.6 | -172.7 | -26.6 | 36.9 | 0 | 0 | 0 | 111.9 | L2260 P2273 L2276 W2552 I2553 | L2260-P2556 HydrophobicContact CD1-CG 3.63Å; P2273-P2556 HydrophobicContact CB-CB 4.36Å; P2273-P2556 HydrophobicContact CB-CG 3.68Å; P2273-P2556 WeakPolarHBondContact O-CB 3.37Å; L2276-P2556 HydrophobicContact CD1-CB 3.99Å; W2552-P2556 HydrophobicContact CH2-CB 4.15Å; W2552-P2556 HydrophobicContact CZ2-CB 4.26Å; W2552-P2556 HydrophobicContact CZ3-CB 4.47Å; W2552-P2556 VanDerWaalsContact O-CA 3.27Å; W2552-P2556 WeakPolarHBondContact O-CA 3.42Å; I2553-P2556 WeakPolarHBondContact O-CD 3.3Å; I2553-P2556 WeakPolarHBondContact O-CG 3.28Å | ||
| 2557 | T | 93.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 59.5 Ų | 59.5 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | trans | -109.7 | 126.5 | -171.7 | -62.7 | 0 | 0 | 0 | 0 | 109.2 | W2552 Q2555 D2561 L2562 F2565 | W2552-T2557 PolarHBondContact NE1-O 3.25Å; Q2555-T2557 PolarHBondContact O-N 3.3Å; Q2555-T2557 PolarHBondContact O-OG1 2.91Å; T2557-D2561 HydrophobicContact CG2-CB 3.75Å; T2557-L2562 HydrophobicContact CG2-CD2 3.97Å; T2557-F2565 HydrophobicContact CG2-CB 4.42Å; T2557-F2565 HydrophobicContact CG2-CD2 4.14Å; T2557-F2565 HydrophobicContact CG2-CG 4.49Å; T2557-F2565 WeakPolarHBondContact OG1-CD2 3.25Å; T2557-F2565 WeakPolarHBondContact OG1-CE2 3.42Å | ||
| 2558 | R | 93 | Very high | 92.1 | Very high | 99 Ų | 99 | 58.7 Ų | 58.7 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | trans | -62.4 | 147.7 | -177.5 | -59.7 | 179.9 | -171.7 | -114.7 | 2.8 | 110.4 | L2276 D2280 R2560 D2561 L2562 | L2276-R2558 HydrophobicContact CD1-CG 4.42Å; L2276-R2558 HydrophobicContact CD2-CG 4.02Å; D2280-R2558 HydrophobicContact CB-CB 4.15Å; D2280-R2558 HydrophobicContact CB-CG 4.11Å; D2280-R2558 CarbonylContact O-C 3.59Å; D2280-R2558 WeakPolarHBondContact O-CA 3.38Å; D2280-R2558 IonicContact OD2-CZ 3.7Å; D2280-R2558 IonicContact OD2-NE 3.98Å; D2280-R2558 IonicContact OD2-NH1 2.7Å; D2280-R2558 PolarHBondContact OD2-NH1 2.77Å; R2558-R2560 HydrophobicContact CB-CG 3.9Å; R2558-R2560 PolarHBondContact O-N 3.18Å; R2558-R2560 VanDerWaalsContact O-N 3.08Å; R2558-D2561 PolarHBondContact O-N 3.43Å; R2558-L2562 PolarHBondContact O-N 2.78Å | ||
| 2559 | L | 92 | Very high | 91.7 | Very high | 52 Ų | 52 | 58.7 Ų | 58.7 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -45.8 | -44 | -178.3 | 174 | 57.7 | 0 | 0 | 0 | 113.3 | D2280 D2540 D2561 L2562 | D2280-L2559 WeakPolarHBondContact O-CB 3.29Å; D2280-L2559 PolarHBondContact O-N 3.08Å; D2540-L2559 HydrophobicContact CB-CD1 4.08Å; D2540-L2559 HydrophobicContact CB-CD2 3.62Å; L2559-D2561 PolarHBondContact O-N 2.86Å; L2559-L2562 HydrophobicContact CD1-CD1 4Å; L2559-L2562 PolarHBondContact O-N 2.88Å |
| 2560 | R | 87.6 | Confident | 91 | Very high | 170 Ų | 170 | 62.2 Ų | 62.2 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -62.4 | -20 | 177.3 | 59.1 | 179.9 | 111.9 | 172 | 1.8 | 115.7 | D2280 R2558 | D2280-R2560 VanDerWaalsContact CG-NH2 3.25Å; D2280-R2560 IonicContact OD1-CZ 3.3Å; D2280-R2560 VanDerWaalsContact OD1-CZ 3.3Å; D2280-R2560 IonicContact OD1-NE 2.85Å; D2280-R2560 PolarHBondContact OD1-NE 3.33Å; D2280-R2560 IonicContact OD1-NH2 2.91Å; D2280-R2560 PolarHBondContact OD1-NH2 2.92Å; D2280-R2560 IonicContact OD2-CZ 3.75Å; D2280-R2560 IonicContact OD2-NE 3.98Å; D2280-R2560 IonicContact OD2-NH2 2.77Å; D2280-R2560 PolarHBondContact OD2-NH2 2.72Å; R2558-R2560 HydrophobicContact CB-CG 3.9Å; R2558-R2560 PolarHBondContact O-N 3.18Å; R2558-R2560 VanDerWaalsContact O-N 3.08Å |
| 2561 | D | 90.5 | Very high | 89.4 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -105.9 | -9.6 | -177.1 | -57.2 | -57.3 | 0 | 0 | 0 | 112.6 | T2557 R2558 L2559 E2563 K2564 | T2557-D2561 HydrophobicContact CG2-CB 3.75Å; R2558-D2561 PolarHBondContact O-N 3.43Å; L2559-D2561 PolarHBondContact O-N 2.86Å; D2561-E2563 VanDerWaalsContact C-N 3.32Å; D2561-E2563 PolarHBondContact O-N 3Å; D2561-K2564 PolarHBondContact O-N 2.62Å |
| 2562 | L | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -63.8 | -28.5 | -172.4 | -72.6 | 174.7 | 0 | 0 | 0 | 115.3 | P2282 W2542 T2557 R2558 L2559 K2564 F2565 W2568 | P2282-L2562 HydrophobicContact CB-CD1 3.58Å; P2282-L2562 HydrophobicContact CG-CD1 3.66Å; W2542-L2562 HydrophobicContact CH2-CB 4.14Å; W2542-L2562 HydrophobicContact CZ2-CB 3.7Å; W2542-L2562 HydrophobicContact CZ2-CD1 4.25Å; T2557-L2562 HydrophobicContact CG2-CD2 3.97Å; R2558-L2562 PolarHBondContact O-N 2.78Å; L2559-L2562 HydrophobicContact CD1-CD1 4Å; L2559-L2562 PolarHBondContact O-N 2.88Å; L2562-K2564 PolarHBondContact O-N 3.44Å; L2562-F2565 HydrophobicContact CD2-CB 4.26Å; L2562-F2565 HydrophobicContact CD2-CD1 4.46Å; L2562-F2565 HydrophobicContact CD2-CG 4.41Å; L2562-F2565 VanDerWaalsContact O-CB 3.3Å; L2562-F2565 WeakPolarHBondContact O-CB 3.46Å; L2562-F2565 PolarHBondContact O-N 2.66Å; L2562-W2568 HydrophobicContact CD1-CZ3 4Å; L2562-W2568 HydrophobicContact CD2-CE3 4.08Å; L2562-W2568 HydrophobicContact CD2-CH2 4.43Å; L2562-W2568 HydrophobicContact CD2-CZ3 3.79Å; L2562-W2568 HydrophobicContact CG-CZ3 4.43Å |
| 2563 | E | 83.1 | Confident | 85.3 | Confident | 143 Ų | 143 | 79.5 Ų | 79.5 | 67% | 0.668 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -55.8 | -27.4 | 177.4 | -169.7 | -179.8 | -148.7 | 0 | 0 | 112.1 | N2313 D2561 | N2313-E2563 HydrophobicContact CB-CG 4.45Å; D2561-E2563 VanDerWaalsContact C-N 3.32Å; D2561-E2563 PolarHBondContact O-N 3Å |
| 2564 | K | 82.6 | Confident | 83.6 | Confident | 164 Ų | 164 | 83.6 Ų | 83.6 | 71% | 0.713 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -103.6 | -0.4 | 180 | -62.4 | 170.7 | -173.5 | 167.9 | 0 | 113.4 | D2561 L2562 Q2566 | D2561-K2564 PolarHBondContact O-N 2.62Å; L2562-K2564 PolarHBondContact O-N 3.44Å; K2564-Q2566 PolarHBondContact O-N 3.39Å; K2564-Q2566 VanDerWaalsContact O-N 3.1Å; K2564-Q2566 PolarHBondContact O-NE2 2.71Å |
| 2565 | F | 92.8 | Very high | 82.7 | Confident | 11 Ų | 11 | 82.4 Ų | 82.4 | 5% | 0.048 | 41% | 0.405 | C | S | . | . | trans | -68 | 107.9 | -175.8 | -176.1 | -118.7 | 0 | 0 | 0 | 110.7 | W2552 Q2555 T2557 L2562 P2567 W2568 S2569 | W2552-F2565 HydrophobicContact CB-CE1 4.05Å; W2552-F2565 HydrophobicContact CB-CZ 4.3Å; Q2555-F2565 HydrophobicContact CB-CE2 4.13Å; Q2555-F2565 HydrophobicContact CB-CZ 4.48Å; Q2555-F2565 HydrophobicContact CG-CE2 4.27Å; T2557-F2565 HydrophobicContact CG2-CB 4.42Å; T2557-F2565 HydrophobicContact CG2-CD2 4.14Å; T2557-F2565 HydrophobicContact CG2-CG 4.49Å; T2557-F2565 WeakPolarHBondContact OG1-CD2 3.25Å; T2557-F2565 WeakPolarHBondContact OG1-CE2 3.42Å; L2562-F2565 HydrophobicContact CD2-CB 4.26Å; L2562-F2565 HydrophobicContact CD2-CD1 4.46Å; L2562-F2565 HydrophobicContact CD2-CG 4.41Å; L2562-F2565 VanDerWaalsContact O-CB 3.3Å; L2562-F2565 WeakPolarHBondContact O-CB 3.46Å; L2562-F2565 PolarHBondContact O-N 2.66Å; F2565-P2567 HydrophobicContact CD1-CB 4.36Å; F2565-P2567 HydrophobicContact CD1-CG 4.33Å; F2565-P2567 HydrophobicContact CE1-CB 3.88Å; F2565-P2567 HydrophobicContact CE1-CG 3.76Å; F2565-P2567 HydrophobicContact CE2-CG 4.19Å; F2565-P2567 HydrophobicContact CZ-CB 4.29Å; F2565-P2567 HydrophobicContact CZ-CG 3.67Å; F2565-W2568 HydrophobicContact CD1-CB 4.12Å; F2565-W2568 AromaticContact CD1-CD1 3.95Å; F2565-W2568 AromaticContact CD1-CD2 3.76Å; F2565-W2568 HydrophobicContact CD1-CD2 3.76Å; F2565-W2568 HydrophobicContact CD1-CE3 4.29Å; F2565-W2568 AromaticContact CD1-CG 3.67Å; F2565-W2568 HydrophobicContact CD1-CG 3.67Å; F2565-W2568 AromaticContact CE1-CD1 3.93Å; F2565-W2568 HydrophobicContact CE1-CD2 4.15Å; F2565-W2568 AromaticContact CE1-CE2 4Å; F2565-W2568 HydrophobicContact CE1-CG 4.11Å; F2565-W2568 AromaticContact CE1-NE1 3.8Å; F2565-W2568 PolarHBondContact O-N 2.87Å; F2565-S2569 PolarHBondContact O-N 2.83Å | ||
| 2566 | Q | 85.5 | Confident | 81.8 | Confident | 127 Ų | 127 | 80.6 Ų | 80.6 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -55.6 | -40.9 | -165.5 | -66.2 | -62.4 | -72.5 | 0 | 0 | 115 | K2564 W2568 S2569 | K2564-Q2566 PolarHBondContact O-N 3.39Å; K2564-Q2566 VanDerWaalsContact O-N 3.1Å; K2564-Q2566 PolarHBondContact O-NE2 2.71Å; Q2566-W2568 PolarHBondContact O-N 3.05Å; Q2566-S2569 WeakPolarHBondContact O-CB 3.46Å; Q2566-S2569 PolarHBondContact O-N 2.95Å; Q2566-S2569 PolarHBondContact O-OG 2.85Å |
| 2567 | P | 88.4 | Confident | 81 | Confident | 46 Ų | 46 | 85.2 Ų | 85.2 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -58.7 | -31.7 | 175.9 | -26.7 | 36.9 | 0 | 0 | 0 | 114.3 | A2551 F2565 | A2551-P2567 HydrophobicContact CB-CB 3.94Å; A2551-P2567 HydrophobicContact CB-CG 4.1Å; F2565-P2567 HydrophobicContact CD1-CB 4.36Å; F2565-P2567 HydrophobicContact CD1-CG 4.33Å; F2565-P2567 HydrophobicContact CE1-CB 3.88Å; F2565-P2567 HydrophobicContact CE1-CG 3.76Å; F2565-P2567 HydrophobicContact CE2-CG 4.19Å; F2565-P2567 HydrophobicContact CZ-CB 4.29Å; F2565-P2567 HydrophobicContact CZ-CG 3.67Å |
| 2568 | W | 91.1 | Very high | 80.6 | Confident | 13 Ų | 13 | 84.3 Ų | 84.3 | 5% | 0.049 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -98.9 | 2.3 | -178.2 | -61.5 | -0.4 | 0 | 0 | 0 | 113.5 | P2282 I2284 N2313 W2542 T2544 D2548 W2552 L2562 F2565 Q2566 | P2282-W2568 HydrophobicContact CG-CH2 4.18Å; P2282-W2568 HydrophobicContact CG-CZ3 4.44Å; I2284-W2568 HydrophobicContact CD1-CH2 3.88Å; I2284-W2568 HydrophobicContact CD1-CZ2 3.92Å; I2284-W2568 HydrophobicContact CG1-CH2 3.82Å; I2284-W2568 HydrophobicContact CG1-CZ2 4.22Å; N2313-W2568 PolarHBondContact ND2-O 3.39Å; W2542-W2568 HydrophobicContact CB-CH2 4.35Å; W2542-W2568 HydrophobicContact CB-CZ3 3.92Å; W2542-W2568 AromaticContact CD2-CE3 3.71Å; W2542-W2568 HydrophobicContact CD2-CE3 3.71Å; W2542-W2568 AromaticContact CD2-CZ3 3.62Å; W2542-W2568 HydrophobicContact CD2-CZ3 3.62Å; W2542-W2568 HydrophobicContact CE3-CD2 4.3Å; W2542-W2568 AromaticContact CE3-CE3 3.36Å; W2542-W2568 HydrophobicContact CE3-CE3 3.36Å; W2542-W2568 AromaticContact CE3-CZ3 3.79Å; W2542-W2568 HydrophobicContact CE3-CZ3 3.79Å; W2542-W2568 HydrophobicContact CG-CE3 4.23Å; W2542-W2568 AromaticContact CG-CZ3 3.69Å; W2542-W2568 HydrophobicContact CG-CZ3 3.69Å; W2542-W2568 HydrophobicContact CH2-CE3 4.42Å; W2542-W2568 HydrophobicContact CZ3-CB 4.36Å; W2542-W2568 AromaticContact CZ3-CE3 3.75Å; W2542-W2568 HydrophobicContact CZ3-CE3 3.75Å; W2542-W2568 HydrophobicContact CZ3-CZ3 4.49Å; T2544-W2568 HydrophobicContact CG2-CD2 4.4Å; T2544-W2568 HydrophobicContact CG2-CH2 4.47Å; T2544-W2568 HydrophobicContact CG2-CZ2 4.01Å; D2548-W2568 PolarHBondContact O-NE1 2.75Å; W2552-W2568 HydrophobicContact CB-CH2 4.02Å; W2552-W2568 HydrophobicContact CB-CZ2 3.41Å; W2552-W2568 VanDerWaalsContact CB-CZ2 3.41Å; W2552-W2568 AromaticContact CD1-CH2 3.8Å; W2552-W2568 AromaticContact CG-CH2 3.94Å; W2552-W2568 HydrophobicContact CG-CH2 3.94Å; W2552-W2568 AromaticContact CG-CZ2 3.85Å; W2552-W2568 HydrophobicContact CG-CZ2 3.85Å; L2562-W2568 HydrophobicContact CD1-CZ3 4Å; L2562-W2568 HydrophobicContact CD2-CE3 4.08Å; L2562-W2568 HydrophobicContact CD2-CH2 4.43Å; L2562-W2568 HydrophobicContact CD2-CZ3 3.79Å; L2562-W2568 HydrophobicContact CG-CZ3 4.43Å; F2565-W2568 HydrophobicContact CD1-CB 4.12Å; F2565-W2568 AromaticContact CD1-CD1 3.95Å; F2565-W2568 AromaticContact CD1-CD2 3.76Å; F2565-W2568 HydrophobicContact CD1-CD2 3.76Å; F2565-W2568 HydrophobicContact CD1-CE3 4.29Å; F2565-W2568 AromaticContact CD1-CG 3.67Å; F2565-W2568 HydrophobicContact CD1-CG 3.67Å; F2565-W2568 AromaticContact CE1-CD1 3.93Å; F2565-W2568 HydrophobicContact CE1-CD2 4.15Å; F2565-W2568 AromaticContact CE1-CE2 4Å; F2565-W2568 HydrophobicContact CE1-CG 4.11Å; F2565-W2568 AromaticContact CE1-NE1 3.8Å; F2565-W2568 PolarHBondContact O-N 2.87Å; Q2566-W2568 PolarHBondContact O-N 3.05Å |
| 2569 | S | 85.9 | Confident | 80.3 | Confident | 25 Ų | 25 | 85.4 Ų | 85.4 | 18% | 0.175 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -66.3 | 153.6 | 177 | 67.3 | 0 | 0 | 0 | 0 | 112.2 | F2565 Q2566 H2571 | F2565-S2569 PolarHBondContact O-N 2.83Å; Q2566-S2569 WeakPolarHBondContact O-CB 3.46Å; Q2566-S2569 PolarHBondContact O-N 2.95Å; Q2566-S2569 PolarHBondContact O-OG 2.85Å; S2569-H2571 VanDerWaalsContact C-N 3.27Å; S2569-H2571 PolarHBondContact O-N 2.95Å; S2569-H2571 PolarHBondContact OG-CE1 2.93Å; S2569-H2571 PolarHBondContact OG-ND1 2.04Å |
| 2570 | C | 82.2 | Confident | 80.1 | Confident | 74 Ų | 74 | 84 Ų | 84 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | trans | -73.2 | 78.2 | -179.6 | -52.3 | 0 | 0 | 0 | 0 | 111 | C2315 S2572 | C2315-C2570 WeakPolarHBondContact CA-SG 3.29Å; C2315-C2570 HydrophobicContact CB-CB 4.14Å; C2315-C2570 WeakPolarHBondContact CB-SG 3.43Å; C2315-C2570 WeakPolarHBondContact SG-CA 3.33Å; C2315-C2570 WeakPolarHBondContact SG-CB 3.45Å; C2315-C2570 PolarHBondContact SG-N 2.84Å; C2315-C2570 CovalentContact SG-SG 2.04Å; C2315-C2570 PolarHBondContact SG-SG 2.85Å; C2570-S2572 VanDerWaalsContact C-N 3.34Å; C2570-S2572 PolarHBondContact O-N 3.13Å | ||
| 2571 | H | 64.2 | Low | 80 | Confident | 152 Ų | 152 | 78 Ų | 78 | 70% | 0.704 | 41% | 0.407 | S | S | * | . | trans | -65.6 | 92 | 170.5 | -84.6 | 68.3 | 0 | 0 | 0 | 110.1 | S2569 I2573 | S2569-H2571 VanDerWaalsContact C-N 3.27Å; S2569-H2571 PolarHBondContact O-N 2.95Å; S2569-H2571 PolarHBondContact OG-CE1 2.93Å; S2569-H2571 PolarHBondContact OG-ND1 2.04Å; H2571-I2573 PolarHBondContact O-N 3.34Å | ||
| 2572 | S | 50.8 | Low | 79.6 | Confident | 112 Ų | 112 | 84 Ų | 84 | 78% | 0.783 | 43% | 0.429 | S | S | * | . | trans | -77.6 | 81 | 178.1 | 58 | 0 | 0 | 0 | 0 | 111.2 | C2570 | C2570-S2572 VanDerWaalsContact C-N 3.34Å; C2570-S2572 PolarHBondContact O-N 3.13Å | ||
| 2573 | I | 55.9 | Low | 79 | Confident | 133 Ų | 133 | 91.6 Ų | 91.6 | 68% | 0.682 | 47% | 0.466 | S | S | * | . | trans | -148.6 | 117.6 | 160.1 | -94 | 140.1 | 0 | 0 | 0 | 106.5 | H2571 R2575 | H2571-I2573 PolarHBondContact O-N 3.34Å; I2573-R2575 PolarHBondContact O-N 3.4Å | ||
| 2574 | H | 60.2 | Low | 79.3 | Confident | 87 Ų | 87 | 86.3 Ų | 86.3 | 40% | 0.403 | 44% | 0.444 | S | S | . | . | trans | -60.5 | 128 | 155.3 | -81.8 | -31.7 | 0 | 0 | 0 | 106.9 | W2338 K2339 S2576 | W2338-H2574 HydrophobicContact CD2-CB 4.2Å; W2338-H2574 AromaticContact CE2-CG 3.79Å; W2338-H2574 AromaticContact CH2-CD2 3.5Å; W2338-H2574 AromaticContact CH2-NE2 3.78Å; W2338-H2574 HydrophobicContact CZ2-CB 3.92Å; W2338-H2574 AromaticContact CZ2-CD2 3.46Å; W2338-H2574 VanDerWaalsContact CZ2-CD2 3.46Å; W2338-H2574 WeakPolarHBondContact CZ2-CD2 3.43Å; W2338-H2574 AromaticContact CZ2-CG 3.74Å; W2338-H2574 WeakPolarHBondContact O-CA 3.3Å; W2338-H2574 PolarHBondContact O-ND1 2.93Å; K2339-H2574 WeakPolarHBondContact CD-CE1 3.49Å; K2339-H2574 PolarHBondContact NZ-CE1 2.88Å; K2339-H2574 VanDerWaalsContact NZ-CE1 3.29Å; K2339-H2574 PolarHBondContact NZ-NE2 2.9Å; K2339-H2574 VanDerWaalsContact NZ-NE2 3.13Å; H2574-S2576 WeakPolarHBondContact O-CA 3.33Å; H2574-S2576 PolarHBondContact O-N 3.25Å | ||
| 2575 | R | 77.2 | Confident | 79.7 | Confident | 60 Ų | 60 | 82.4 Ų | 82.4 | 23% | 0.226 | 43% | 0.427 | C | S | . | . | trans | -59.5 | 84.2 | -175 | -69.1 | -171.4 | 179.1 | 118.9 | -10 | 110.3 | Y2337 W2338 H2341 I2573 E2577 A2578 | Y2337-R2575 HydrophobicContact CE1-CB 4.45Å; Y2337-R2575 VanDerWaalsContact CZ-CD 3.46Å; Y2337-R2575 WeakPolarHBondContact O-CD 3.41Å; Y2337-R2575 PolarHBondContact O-NH1 3.24Å; W2338-R2575 VanDerWaalsContact CD1-O 3.29Å; W2338-R2575 PolarHBondContact O-N 3.1Å; H2341-R2575 PolarHBondContact O-NH1 2.66Å; I2573-R2575 PolarHBondContact O-N 3.4Å; R2575-E2577 WeakPolarHBondContact CB-OE1 3.07Å; R2575-E2577 PolarHBondContact O-N 3.22Å; R2575-A2578 WeakPolarHBondContact O-CA 3.05Å; R2575-A2578 PolarHBondContact O-N 3.24Å | ||
| 2576 | S | 74.4 | Confident | 79.6 | Confident | 87 Ų | 87 | 83.8 Ų | 83.8 | 61% | 0.608 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -63.4 | -29.7 | -160.5 | 57 | 0 | 0 | 0 | 0 | 113.3 | H2574 A2578 E2579 | H2574-S2576 WeakPolarHBondContact O-CA 3.33Å; H2574-S2576 PolarHBondContact O-N 3.25Å; S2576-A2578 PolarHBondContact O-N 2.63Å; S2576-A2578 VanDerWaalsContact O-N 3.13Å; S2576-E2579 PolarHBondContact O-N 2.81Å |
| 2577 | E | 78.4 | Confident | 79.7 | Confident | 131 Ų | 131 | 77.8 Ų | 77.8 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -58.8 | -17.2 | 170.2 | 67.3 | -80 | -174.3 | 0 | 0 | 114.2 | R2575 | R2575-E2577 WeakPolarHBondContact CB-OE1 3.07Å; R2575-E2577 PolarHBondContact O-N 3.22Å |
| 2578 | A | 85.2 | Confident | 79.7 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.008 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -121 | 19 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q2334 Y2337 A2377 R2575 S2576 P2580 | Q2334-A2578 WeakPolarHBondContact CG-O 3.5Å; Q2334-A2578 PolarHBondContact NE2-O 2.91Å; Y2337-A2578 HydrophobicContact CD1-CB 3.6Å; Y2337-A2578 HydrophobicContact CE1-CB 3.88Å; A2377-A2578 HydrophobicContact CB-CB 4.06Å; R2575-A2578 WeakPolarHBondContact O-CA 3.05Å; R2575-A2578 PolarHBondContact O-N 3.24Å; S2576-A2578 PolarHBondContact O-N 2.63Å; S2576-A2578 VanDerWaalsContact O-N 3.13Å; A2578-P2580 WeakPolarHBondContact O-CD 3.45Å |
| 2579 | E | 87.6 | Confident | 79.3 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 124 | 177.1 | -170.3 | 178.3 | 150.5 | 0 | 0 | 112.2 | Q2334 W2338 S2576 C2581 | Q2334-E2579 PolarHBondContact NE2-O 2.87Å; Q2334-E2579 VanDerWaalsContact NE2-O 3.11Å; W2338-E2579 HydrophobicContact CZ2-CG 4.32Å; S2576-E2579 PolarHBondContact O-N 2.81Å; E2579-C2581 PolarHBondContact O-N 3.12Å |
| 2580 | P | 86.1 | Confident | 78.8 | Confident | 24 Ų | 24 | 80.7 Ų | 80.7 | 16% | 0.156 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 135.8 | 178.7 | -24.2 | 34.4 | 0 | 0 | 0 | 112.6 | Q2334 W2335 W2338 A2578 | Q2334-P2580 HydrophobicContact CG-CG 4.23Å; W2335-P2580 HydrophobicContact CB-CG 3.77Å; W2335-P2580 HydrophobicContact CG-CG 4.3Å; W2338-P2580 HydrophobicContact CB-CG 4.45Å; A2578-P2580 WeakPolarHBondContact O-CD 3.45Å |
| 2581 | C | 87.5 | Confident | 78 | Confident | 44 Ų | 44 | 78.1 Ų | 78.1 | 30% | 0.297 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 142.4 | 173.1 | 61.3 | 0 | 0 | 0 | 0 | 112.3 | E2579 M2583 C2604 | E2579-C2581 PolarHBondContact O-N 3.12Å; C2581-M2583 PolarHBondContact O-N 3.29Å; C2581-M2583 VanDerWaalsContact O-N 3.12Å; C2581-C2604 HydrophobicContact CB-CB 3.68Å; C2581-C2604 WeakPolarHBondContact CB-SG 3.23Å; C2581-C2604 PolarHBondContact N-SG 2.04Å; C2581-C2604 WeakPolarHBondContact SG-CA 3.07Å; C2581-C2604 WeakPolarHBondContact SG-CB 3.03Å; C2581-C2604 CovalentContact SG-SG 2.04Å; C2581-C2604 PolarHBondContact SG-SG 3.46Å |
| 2582 | K | 80.5 | Confident | 77.7 | Confident | 210 Ų | 210 | 75.6 Ų | 75.6 | 91% | 0.913 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -64 | -16.1 | 179 | -62.7 | -176.1 | 179.1 | -178.7 | 0 | 114.7 | ||
| 2583 | M | 79.8 | Confident | 77.7 | Confident | 158 Ų | 158 | 75.2 Ų | 75.2 | 78% | 0.778 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -149.8 | 107.8 | 175.5 | -175.6 | 169.1 | 63.6 | 0 | 0 | 109.5 | C2581 | C2581-M2583 PolarHBondContact O-N 3.29Å; C2581-M2583 VanDerWaalsContact O-N 3.12Å |
| 2584 | P | 89.6 | Confident | 77.5 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 21% | 0.214 | 40% | 0.395 | C | S | . | . | trans | -76.3 | 158.5 | -179 | 32.1 | -36.2 | 0 | 0 | 0 | 112.3 | M1206 H2331 | M1206-P2584 WeakPolarHBondContact CE-O 3.2Å; H2331-P2584 HydrophobicContact CB-CB 3.8Å | ||
| 2585 | K | 90.1 | Very high | 76.9 | Confident | 82 Ų | 82 | 72.4 Ų | 72.4 | 36% | 0.357 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 112 | 172.1 | -51.7 | -165.2 | -163.3 | 80.2 | 0 | 109.8 | M1206 S2602 T2603 C2604 F2605 | M1206-K2585 HydrophobicContact CE-CB 4.36Å; K2585-S2602 WeakPolarHBondContact O-CA 3.48Å; K2585-T2603 PolarHBondContact N-O 3.25Å; K2585-T2603 PolarHBondContact O-N 3.23Å; K2585-C2604 PolarHBondContact NZ-O 2.62Å; K2585-F2605 WeakPolarHBondContact CD-O 3.33Å; K2585-F2605 VanDerWaalsContact NZ-C 3.33Å; K2585-F2605 PolarHBondContact NZ-O 2.94Å |
| 2586 | T | 90.2 | Very high | 75.7 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 24% | 0.239 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.6 | 167.8 | -42.1 | 0 | 0 | 0 | 0 | 109.6 | F1205 L2601 | F1205-T2586 WeakPolarHBondContact CE2-O 3.49Å; F1205-T2586 VanDerWaalsContact CZ-O 3.29Å; F1205-T2586 WeakPolarHBondContact CZ-O 3.44Å; T2586-L2601 CarbonylContact C-O 3.57Å; T2586-L2601 WeakPolarHBondContact CA-O 3.24Å |
| 2587 | C | 88.8 | Confident | 74.9 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.014 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138.2 | 176.2 | -42.4 | 0 | 0 | 0 | 0 | 108.7 | Y2589 W2600 L2601 C2607 | C2587-Y2589 HydrophobicContact CB-CE2 3.66Å; C2587-Y2589 VanDerWaalsContact CB-OH 3.29Å; C2587-Y2589 WeakPolarHBondContact CB-OH 3.06Å; C2587-W2600 WeakPolarHBondContact O-CA 3.22Å; C2587-L2601 HydrophobicContact CB-CD1 4.17Å; C2587-L2601 HydrophobicContact CB-CG 4.16Å; C2587-L2601 PolarHBondContact N-O 3.33Å; C2587-L2601 PolarHBondContact O-N 2.78Å; C2587-L2601 VanDerWaalsContact O-N 3.14Å; C2587-C2607 VanDerWaalsContact CA-SG 3.59Å; C2587-C2607 HydrophobicContact CB-CB 3.76Å; C2587-C2607 WeakPolarHBondContact CB-SG 3.17Å; C2587-C2607 WeakPolarHBondContact SG-CA 3.33Å; C2587-C2607 WeakPolarHBondContact SG-CB 3.08Å; C2587-C2607 CovalentContact SG-SG 2.03Å; C2587-C2607 PolarHBondContact SG-SG 3.38Å |
| 2588 | S | 88.1 | Confident | 74.7 | Confident | 32 Ų | 32 | 66 Ų | 66 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.6 | 176.4 | -177 | 0 | 0 | 0 | 0 | 109 | C1204 W2600 | C1204-S2588 WeakPolarHBondContact O-CB 3.41Å; C1204-S2588 PolarHBondContact O-OG 3.31Å; S2588-W2600 VanDerWaalsContact CB-CE3 3.49Å; S2588-W2600 WeakPolarHBondContact OG-CH2 3.21Å; S2588-W2600 WeakPolarHBondContact OG-CZ3 3.46Å |
| 2589 | Y | 83.2 | Confident | 74.4 | Confident | 16 Ų | 16 | 68 Ų | 68 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.3 | -179.1 | -50.5 | -84.5 | 0 | 0 | 0 | 109.8 | C2587 A2591 D2598 H2599 L2601 P2608 E2610 Y2611 | C2587-Y2589 HydrophobicContact CB-CE2 3.66Å; C2587-Y2589 VanDerWaalsContact CB-OH 3.29Å; C2587-Y2589 WeakPolarHBondContact CB-OH 3.06Å; Y2589-A2591 PolarHBondContact O-N 3.26Å; Y2589-D2598 WeakPolarHBondContact O-CA 3.48Å; Y2589-H2599 PolarHBondContact N-O 2.03Å; Y2589-H2599 PolarHBondContact O-N 3.22Å; Y2589-L2601 HydrophobicContact CE2-CD2 3.89Å; Y2589-L2601 HydrophobicContact CE2-CG 4.09Å; Y2589-P2608 WeakPolarHBondContact CE1-O 3.35Å; Y2589-P2608 WeakPolarHBondContact OH-CD 2.99Å; Y2589-P2608 PolarHBondContact OH-O 2.97Å; Y2589-E2610 VanDerWaalsContact CD1-C 3.47Å; Y2589-Y2611 AromaticContact CD2-CD2 3.53Å; Y2589-Y2611 HydrophobicContact CD2-CD2 3.53Å; Y2589-Y2611 HydrophobicContact CD2-CG 4.07Å; Y2589-Y2611 AromaticContact CE2-CD2 3.75Å; Y2589-Y2611 HydrophobicContact CE2-CD2 3.75Å; Y2589-Y2611 HydrophobicContact CG-CD2 4.41Å |
| 2590 | P | 74.9 | Confident | 74.2 | Confident | 97 Ų | 97 | 65.1 Ų | 65.1 | 63% | 0.63 | 36% | 0.36 | S | S | * | . | trans | -63.3 | 134.6 | 179 | 27.5 | -34.2 | 0 | 0 | 0 | 110.4 | D2598 | P2590-D2598 WeakPolarHBondContact CA-OD1 3.46Š| ||
| 2591 | A | 65.4 | Low | 74.3 | Confident | 19 Ų | 19 | 64 Ų | 64 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | trans | -67.6 | 153.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y2589 N2593 T2596 E2597 | Y2589-A2591 PolarHBondContact O-N 3.26Å; A2591-N2593 VanDerWaalsContact C-N 3.28Å; A2591-N2593 PolarHBondContact O-N 2.65Å; A2591-T2596 WeakPolarHBondContact CB-O 3.06Å; A2591-T2596 WeakPolarHBondContact CB-OG1 3.5Å; A2591-E2597 WeakPolarHBondContact CB-O 3.13Å | ||
| 2592 | P | 57.1 | Low | 74.6 | Confident | 100 Ų | 100 | 62 Ų | 62 | 65% | 0.649 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -63.4 | -32 | -178.2 | -22.6 | 34.1 | 0 | 0 | 0 | 113.9 | ||
| 2593 | N | 52.1 | Low | 75.3 | Confident | 104 Ų | 104 | 52 Ų | 52 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -116.1 | 143.7 | 176.2 | -75.4 | -24.8 | 0 | 0 | 0 | 109.8 | A2591 S2595 T2596 | A2591-N2593 VanDerWaalsContact C-N 3.28Å; A2591-N2593 PolarHBondContact O-N 2.65Å; N2593-S2595 PolarHBondContact O-N 3.36Å; N2593-T2596 PolarHBondContact O-N 3.37Å; N2593-T2596 PolarHBondContact O-OG1 3.28Å |
| 2594 | S | 51.5 | Low | 76 | Confident | 89 Ų | 89 | 45.6 Ų | 45.6 | 62% | 0.622 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 44.6 | 166.8 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | E1174 | E1174-S2594 WeakPolarHBondContact OE1-CA 3.33Å; E1174-S2594 WeakPolarHBondContact OE1-CB 3.42Å |
| 2595 | S | 46.6 | Very low | 76.1 | Confident | 71 Ų | 71 | 48 Ų | 48 | 50% | 0.497 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.3 | 14.6 | 176.1 | 73 | 0 | 0 | 0 | 0 | 112.3 | N2593 | N2593-S2595 PolarHBondContact O-N 3.36Š|
| 2596 | T | 52 | Low | 76 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 37% | 0.368 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -142.5 | 135.3 | 179.2 | 38.5 | 0 | 0 | 0 | 0 | 107.5 | E1174 A2591 N2593 | E1174-T2596 VanDerWaalsContact CG-O 3.24Å; E1174-T2596 WeakPolarHBondContact CG-O 3.37Å; A2591-T2596 WeakPolarHBondContact CB-O 3.06Å; A2591-T2596 WeakPolarHBondContact CB-OG1 3.5Å; N2593-T2596 PolarHBondContact O-N 3.37Å; N2593-T2596 PolarHBondContact O-OG1 3.28Å |
| 2597 | E | 59.1 | Low | 75.9 | Confident | 74 Ų | 74 | 48.9 Ų | 48.9 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 149.5 | -179.6 | -72.1 | -166 | 115.1 | 0 | 0 | 112.2 | L1175 K1179 A2591 H2599 | L1175-E2597 HydrophobicContact CD1-CG 4.37Å; L1175-E2597 WeakPolarHBondContact CD1-OE1 3.11Å; L1175-E2597 HydrophobicContact CD2-CG 3.76Å; L1175-E2597 HydrophobicContact CG-CG 3.91Å; K1179-E2597 IonicContact NZ-OE1 3.34Å; A2591-E2597 WeakPolarHBondContact CB-O 3.13Å; E2597-H2599 PolarHBondContact O-N 3.3Å |
| 2598 | D | 72.7 | Confident | 75.9 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -47.4 | 137.6 | 166.9 | -58.1 | -56.2 | 0 | 0 | 0 | 110.4 | H1191 R1192 Y2589 P2590 W2600 | H1191-D2598 IonicContact CD2-OD2 2.73Å; H1191-D2598 PolarHBondContact CD2-OD2 3.2Å; H1191-D2598 IonicContact CG-OD2 3.74Å; H1191-D2598 IonicContact NE2-OD2 2.73Å; R1192-D2598 WeakPolarHBondContact CB-OD2 3.38Å; R1192-D2598 PolarHBondContact N-OD2 2.84Å; Y2589-D2598 WeakPolarHBondContact O-CA 3.48Å; P2590-D2598 WeakPolarHBondContact CA-OD1 3.46Å; D2598-W2600 HydrophobicContact CB-CH2 4.48Å; D2598-W2600 HydrophobicContact CB-CZ2 3.83Å; D2598-W2600 PolarHBondContact O-NE1 3.4Å |
| 2599 | H | 80.6 | Confident | 75.4 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 20% | 0.199 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 140.8 | 175.8 | -65.4 | -92.5 | 0 | 0 | 0 | 110.5 | E2326 Y2589 E2597 Y2611 | E2326-H2599 IonicContact OE1-CE1 2.8Å; E2326-H2599 PolarHBondContact OE1-CE1 3.25Å; E2326-H2599 IonicContact OE1-ND1 2.64Å; E2326-H2599 PolarHBondContact OE1-ND1 2.88Å; Y2589-H2599 PolarHBondContact N-O 2.03Å; Y2589-H2599 PolarHBondContact O-N 3.22Å; E2597-H2599 PolarHBondContact O-N 3.3Å; H2599-Y2611 HydrophobicContact CB-CD1 4.11Å; H2599-Y2611 HydrophobicContact CB-CD2 3.84Å; H2599-Y2611 HydrophobicContact CB-CE1 4.08Å; H2599-Y2611 HydrophobicContact CB-CE2 3.83Å; H2599-Y2611 HydrophobicContact CB-CG 3.97Å; H2599-Y2611 AromaticContact ND1-CE1 3.94Å |
| 2600 | W | 82.3 | Confident | 75.4 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.7 | -177.5 | -41.3 | 81.4 | 0 | 0 | 0 | 110.9 | C1204 C2587 S2588 D2598 | C1204-W2600 HydrophobicContact CB-CH2 4Å; C2587-W2600 WeakPolarHBondContact O-CA 3.22Å; S2588-W2600 VanDerWaalsContact CB-CE3 3.49Å; S2588-W2600 WeakPolarHBondContact OG-CH2 3.21Å; S2588-W2600 WeakPolarHBondContact OG-CZ3 3.46Å; D2598-W2600 HydrophobicContact CB-CH2 4.48Å; D2598-W2600 HydrophobicContact CB-CZ2 3.83Å; D2598-W2600 PolarHBondContact O-NE1 3.4Å |
| 2601 | L | 89.2 | Confident | 76 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.6 | 163.9 | 70 | 85.9 | 0 | 0 | 0 | 109.4 | Y2330 T2586 C2587 Y2589 T2603 Y2611 P2612 | Y2330-L2601 HydrophobicContact CD2-CB 4.42Å; Y2330-L2601 HydrophobicContact CD2-CD1 4.39Å; T2586-L2601 CarbonylContact C-O 3.57Å; T2586-L2601 WeakPolarHBondContact CA-O 3.24Å; C2587-L2601 HydrophobicContact CB-CD1 4.17Å; C2587-L2601 HydrophobicContact CB-CG 4.16Å; C2587-L2601 PolarHBondContact N-O 3.33Å; C2587-L2601 PolarHBondContact O-N 2.78Å; C2587-L2601 VanDerWaalsContact O-N 3.14Å; Y2589-L2601 HydrophobicContact CE2-CD2 3.89Å; Y2589-L2601 HydrophobicContact CE2-CG 4.09Å; L2601-T2603 HydrophobicContact CD1-CG2 3.95Å; L2601-Y2611 HydrophobicContact CD2-CD2 4.15Å; L2601-Y2611 HydrophobicContact CD2-CE2 4.19Å; L2601-P2612 HydrophobicContact CD2-CG 4.36Å |
| 2602 | S | 92.7 | Very high | 77 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.1 | 174 | 69 | 0 | 0 | 0 | 0 | 113.4 | N2329 Y2330 H2331 K2585 | N2329-S2602 CarbonylContact C-O 3.43Å; N2329-S2602 WeakPolarHBondContact CB-OG 3.03Å; N2329-S2602 PolarHBondContact OD1-OG 2.94Å; Y2330-S2602 WeakPolarHBondContact CA-O 3.4Å; Y2330-S2602 WeakPolarHBondContact CB-O 3.32Å; Y2330-S2602 PolarHBondContact N-O 2.89Å; H2331-S2602 PolarHBondContact CE1-OG 3.01Å; H2331-S2602 VanDerWaalsContact CE1-OG 3.32Å; H2331-S2602 PolarHBondContact N-O 3.02Å; H2331-S2602 VanDerWaalsContact N-O 3.09Å; H2331-S2602 PolarHBondContact ND1-OG 3.25Å; K2585-S2602 WeakPolarHBondContact O-CA 3.48Å |
| 2603 | T | 95.8 | Very high | 78.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 153.5 | -171.8 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | L2375 K2585 L2601 F2605 | L2375-T2603 HydrophobicContact CD2-CG2 4.34Å; L2375-T2603 PolarHBondContact O-OG1 2.75Å; K2585-T2603 PolarHBondContact N-O 3.25Å; K2585-T2603 PolarHBondContact O-N 3.23Å; L2601-T2603 HydrophobicContact CD1-CG2 3.95Å; T2603-F2605 VanDerWaalsContact C-N 3.28Å; T2603-F2605 PolarHBondContact OG1-N 2.73Å; T2603-F2605 VanDerWaalsContact OG1-N 3.07Å |
| 2604 | C | 94.3 | Very high | 79.8 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -73.9 | -21.7 | 169.3 | -68.4 | 0 | 0 | 0 | 0 | 113.3 | C2581 K2585 | C2581-C2604 HydrophobicContact CB-CB 3.68Å; C2581-C2604 WeakPolarHBondContact CB-SG 3.23Å; C2581-C2604 PolarHBondContact N-SG 2.04Å; C2581-C2604 WeakPolarHBondContact SG-CA 3.07Å; C2581-C2604 WeakPolarHBondContact SG-CB 3.03Å; C2581-C2604 CovalentContact SG-SG 2.04Å; C2581-C2604 PolarHBondContact SG-SG 3.46Å; K2585-C2604 PolarHBondContact NZ-O 2.62Å |
| 2605 | F | 92.5 | Very high | 80.3 | Confident | 83 Ų | 83 | 50.5 Ų | 50.5 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -80.9 | -174.1 | -176 | -66.1 | -87.4 | 0 | 0 | 0 | 111.9 | L2375 A2377 K2585 T2603 | L2375-F2605 WeakPolarHBondContact O-CD2 3.42Å; A2377-F2605 HydrophobicContact CB-CE2 3.97Å; A2377-F2605 HydrophobicContact CB-CZ 3.8Å; K2585-F2605 WeakPolarHBondContact CD-O 3.33Å; K2585-F2605 VanDerWaalsContact NZ-C 3.33Å; K2585-F2605 PolarHBondContact NZ-O 2.94Å; T2603-F2605 VanDerWaalsContact C-N 3.28Å; T2603-F2605 PolarHBondContact OG1-N 2.73Å; T2603-F2605 VanDerWaalsContact OG1-N 3.07Å |
| 2606 | S | 86.3 | Confident | 80.4 | Confident | 95 Ų | 95 | 52.5 Ų | 52.5 | 66% | 0.664 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 137.2 | 172.2 | -67.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 2607 | C | 89.4 | Confident | 79.7 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 30% | 0.304 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 134.2 | 174.2 | -67.5 | 0 | 0 | 0 | 0 | 110.9 | C2587 | C2587-C2607 VanDerWaalsContact CA-SG 3.59Å; C2587-C2607 HydrophobicContact CB-CB 3.76Å; C2587-C2607 WeakPolarHBondContact CB-SG 3.17Å; C2587-C2607 WeakPolarHBondContact SG-CA 3.33Å; C2587-C2607 WeakPolarHBondContact SG-CB 3.08Å; C2587-C2607 CovalentContact SG-SG 2.03Å; C2587-C2607 PolarHBondContact SG-SG 3.38Å |
| 2608 | P | 87.4 | Confident | 78.5 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 16% | 0.156 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -47.3 | 155.1 | 155.9 | -28.9 | 36.2 | 0 | 0 | 0 | 112.2 | L2375 Y2589 E2610 P2612 | L2375-P2608 HydrophobicContact CD2-CG 4.11Å; Y2589-P2608 WeakPolarHBondContact CE1-O 3.35Å; Y2589-P2608 WeakPolarHBondContact OH-CD 2.99Å; Y2589-P2608 PolarHBondContact OH-O 2.97Å; P2608-E2610 VanDerWaalsContact C-N 3.32Å; P2608-E2610 WeakPolarHBondContact CB-O 3.24Å; P2608-P2612 HydrophobicContact CB-CG 4.22Å; P2608-P2612 HydrophobicContact CG-CG 3.88Å |
| 2609 | S | 79.2 | Confident | 76.4 | Confident | 123 Ų | 123 | 66.6 Ų | 66.6 | 86% | 0.86 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -75.5 | -23.6 | 175.6 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 2610 | E | 82.2 | Confident | 73.8 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -137.5 | 157.9 | 175.7 | -69.6 | -174.1 | -134.6 | 0 | 0 | 109.3 | Y2589 P2608 P2612 K2616 | Y2589-E2610 VanDerWaalsContact CD1-C 3.47Å; P2608-E2610 VanDerWaalsContact C-N 3.32Å; P2608-E2610 WeakPolarHBondContact CB-O 3.24Å; E2610-P2612 WeakPolarHBondContact O-CD 3.36Å; E2610-K2616 IonicContact OE2-NZ 3.26Å; E2610-K2616 PolarHBondContact OE2-NZ 2.76Å |
| 2611 | Y | 87.2 | Confident | 71.3 | Confident | 18 Ų | 18 | 84.2 Ų | 84.2 | 7% | 0.071 | 43% | 0.426 | C | S | . | . | trans | -58.9 | 121.5 | 172.5 | -168.8 | -116.8 | 0 | 0 | 0 | 109.7 | H2325 E2326 Y2589 H2599 L2601 W2613 | H2325-Y2611 AromaticContact CE1-CE2 3.76Å; H2325-Y2611 AromaticContact CE1-CZ 3.87Å; E2326-Y2611 WeakPolarHBondContact CA-OH 3.47Å; E2326-Y2611 WeakPolarHBondContact CG-OH 3.22Å; Y2589-Y2611 AromaticContact CD2-CD2 3.53Å; Y2589-Y2611 HydrophobicContact CD2-CD2 3.53Å; Y2589-Y2611 HydrophobicContact CD2-CG 4.07Å; Y2589-Y2611 AromaticContact CE2-CD2 3.75Å; Y2589-Y2611 HydrophobicContact CE2-CD2 3.75Å; Y2589-Y2611 HydrophobicContact CG-CD2 4.41Å; H2599-Y2611 HydrophobicContact CB-CD1 4.11Å; H2599-Y2611 HydrophobicContact CB-CD2 3.84Å; H2599-Y2611 HydrophobicContact CB-CE1 4.08Å; H2599-Y2611 HydrophobicContact CB-CE2 3.83Å; H2599-Y2611 HydrophobicContact CB-CG 3.97Å; H2599-Y2611 AromaticContact ND1-CE1 3.94Å; L2601-Y2611 HydrophobicContact CD2-CD2 4.15Å; L2601-Y2611 HydrophobicContact CD2-CE2 4.19Å; Y2611-W2613 HydrophobicContact CD1-CE3 4.12Å; Y2611-W2613 AromaticContact CE1-CE3 3.6Å; Y2611-W2613 HydrophobicContact CE1-CE3 3.6Å; Y2611-W2613 AromaticContact CE1-CZ3 3.83Å; Y2611-W2613 HydrophobicContact CE1-CZ3 3.83Å; Y2611-W2613 PolarHBondContact O-N 2.93Å | ||
| 2612 | P | 86.2 | Confident | 70.5 | Confident | 21 Ų | 21 | 88.4 Ų | 88.4 | 14% | 0.136 | 45% | 0.447 | C | S | . | . | trans | -64 | 129.6 | 179.4 | -15.6 | 27.7 | 0 | 0 | 0 | 110.2 | H2325 L2371 L2601 P2608 E2610 | H2325-P2612 PolarHBondContact CD2-O 2.96Å; H2325-P2612 WeakPolarHBondContact NE2-CB 3.32Å; H2325-P2612 WeakPolarHBondContact NE2-CD 2.87Å; H2325-P2612 PolarHBondContact NE2-O 2.79Å; H2325-P2612 VanDerWaalsContact NE2-O 3.11Å; L2371-P2612 HydrophobicContact CD1-CB 4.1Å; L2371-P2612 HydrophobicContact CD2-CB 3.68Å; L2371-P2612 HydrophobicContact CD2-CG 4.16Å; L2601-P2612 HydrophobicContact CD2-CG 4.36Å; P2608-P2612 HydrophobicContact CB-CG 4.22Å; P2608-P2612 HydrophobicContact CG-CG 3.88Å; E2610-P2612 WeakPolarHBondContact O-CD 3.36Å | ||
| 2613 | W | 88.7 | Confident | 69.3 | Low | 61 Ų | 61 | 92.9 Ų | 92.9 | 23% | 0.231 | 47% | 0.471 | C | S | . | . | trans | -154.7 | 161.6 | 177 | -154.6 | -103.3 | 0 | 0 | 0 | 110.2 | E2326 I2348 T2349 Y2611 | E2326-W2613 HydrophobicContact CB-CH2 4.28Å; E2326-W2613 HydrophobicContact CB-CZ3 4.18Å; E2326-W2613 HydrophobicContact CG-CH2 4.3Å; E2326-W2613 HydrophobicContact CG-CZ3 4.19Å; I2348-W2613 HydrophobicContact CG2-CD2 4.36Å; I2348-W2613 HydrophobicContact CG2-CE3 3.95Å; I2348-W2613 HydrophobicContact CG2-CZ3 4.26Å; T2349-W2613 HydrophobicContact CG2-CD2 4.49Å; T2349-W2613 HydrophobicContact CG2-CH2 4.33Å; T2349-W2613 HydrophobicContact CG2-CZ2 3.65Å; Y2611-W2613 HydrophobicContact CD1-CE3 4.12Å; Y2611-W2613 AromaticContact CE1-CE3 3.6Å; Y2611-W2613 HydrophobicContact CE1-CE3 3.6Å; Y2611-W2613 AromaticContact CE1-CZ3 3.83Å; Y2611-W2613 HydrophobicContact CE1-CZ3 3.83Å; Y2611-W2613 PolarHBondContact O-N 2.93Å | ||
| 2614 | V | 79.2 | Confident | 67.8 | Low | 21 Ų | 21 | 98.1 Ų | 98.1 | 13% | 0.127 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 145.2 | -179.9 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | I2348 T2349 E2363 E2364 K2616 | I2348-V2614 HydrophobicContact CB-CG2 3.95Å; I2348-V2614 HydrophobicContact CD1-CG2 3.93Å; I2348-V2614 HydrophobicContact CG1-CG2 4.44Å; I2348-V2614 HydrophobicContact CG2-CG2 4.14Å; T2349-V2614 HydrophobicContact CG2-CB 4.32Å; T2349-V2614 HydrophobicContact CG2-CG2 4.05Å; E2363-V2614 HydrophobicContact CB-CG1 4.12Å; E2364-V2614 HydrophobicContact CG-CG2 4.25Å; V2614-K2616 VanDerWaalsContact C-N 3.31Å; V2614-K2616 PolarHBondContact O-N 3.32Å; V2614-K2616 VanDerWaalsContact O-N 3.17Å |
| 2615 | R | 62.6 | Low | 66.2 | Low | 115 Ų | 115 | 102.5 Ų | 102.5 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 5.2 | 172.6 | -74.8 | 165.6 | -178 | 166.1 | 0.5 | 119.2 | E2360 E2363 E2617 H2618 | E2360-R2615 VanDerWaalsContact CG-NH2 3.28Å; E2360-R2615 IonicContact OE1-CZ 3.7Å; E2360-R2615 IonicContact OE1-NH1 3.74Å; E2360-R2615 PolarHBondContact OE1-NH1 2.04Å; E2360-R2615 IonicContact OE1-NH2 2.86Å; E2360-R2615 PolarHBondContact OE1-NH2 3.33Å; E2360-R2615 IonicContact OE2-CZ 3.57Å; E2360-R2615 IonicContact OE2-NH1 3.36Å; E2360-R2615 PolarHBondContact OE2-NH1 3.34Å; E2360-R2615 IonicContact OE2-NH2 3.95Å; E2360-R2615 PolarHBondContact OE2-NH2 2.93Å; E2363-R2615 WeakPolarHBondContact OE1-CG 3.32Å; E2363-R2615 IonicContact OE1-NE 2.78Å; E2363-R2615 IonicContact OE2-CZ 3.99Å; E2363-R2615 VanDerWaalsContact OE2-CZ 3.3Å; E2363-R2615 IonicContact OE2-NE 3.64Å; E2363-R2615 PolarHBondContact OE2-NE 3.47Å; E2363-R2615 IonicContact OE2-NH2 3.12Å; E2363-R2615 PolarHBondContact OE2-NH2 3.48Å; R2615-E2617 VanDerWaalsContact C-N 3.31Å; R2615-E2617 PolarHBondContact O-N 3.16Å; R2615-H2618 PolarHBondContact O-N 2.03Å |
| 2616 | K | 50 | Low | 64.6 | Low | 112 Ų | 112 | 103.8 Ų | 103.8 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.8 | 179.8 | -90.9 | -168.9 | 165.5 | -164.8 | 0 | 116.8 | E2610 V2614 H2618 | E2610-K2616 IonicContact OE2-NZ 3.26Å; E2610-K2616 PolarHBondContact OE2-NZ 2.76Å; V2614-K2616 VanDerWaalsContact C-N 3.31Å; V2614-K2616 PolarHBondContact O-N 3.32Å; V2614-K2616 VanDerWaalsContact O-N 3.17Å; K2616-H2618 PolarHBondContact O-N 3.07Å |
| 2617 | E | 37.2 | Very low | 63.2 | Low | 194 Ų | 194 | 104.3 Ų | 104.3 | 91% | 0.907 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -2.2 | 175.9 | -70.2 | -164.3 | 149.3 | 0 | 0 | 114 | R2615 | R2615-E2617 VanDerWaalsContact C-N 3.31Å; R2615-E2617 PolarHBondContact O-N 3.16Å |
| 2618 | H | 33.3 | Very low | 61.3 | Low | 163 Ų | 163 | 108.6 Ų | 108.6 | 76% | 0.755 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -118.5 | 113.3 | 167.8 | -72.1 | -1.7 | 0 | 0 | 0 | 109.8 | R2615 K2616 K2620 | R2615-H2618 PolarHBondContact O-N 2.03Å; K2616-H2618 PolarHBondContact O-N 3.07Å; H2618-K2620 VanDerWaalsContact C-N 3.32Å; H2618-K2620 PolarHBondContact O-N 3.43Å |
| 2619 | G | 28.7 | Very low | 59.3 | Low | 85 Ų | 85 | 115.1 Ų | 115.1 | 88% | 0.876 | 56% | 0.561 | S | S | * | * | trans | -69.5 | 75.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2620 | K | 26.3 | Very low | 57.6 | Low | 201 Ų | 201 | 114.4 Ų | 114.4 | 87% | 0.874 | 54% | 0.537 | S | S | * | . | trans | -144.8 | 111.9 | 164.3 | -74.4 | -173.1 | 178.1 | 178.8 | 0 | 110.4 | H2618 | H2618-K2620 VanDerWaalsContact C-N 3.32Å; H2618-K2620 PolarHBondContact O-N 3.43Å | ||
| 2621 | R | 30 | Very low | 55.4 | Low | 271 Ų | 271 | 114.7 Ų | 114.7 | 100% | 1.023 | 54% | 0.538 | S | S | * | . | trans | -148.1 | 0 | 153.1 | -143.4 | -178 | -160.2 | -160.8 | 6.7 | 108.8 |
Retrieved 2,621 of 2,621 residues in 2096.4 ms
(Link to these results)