A0A077ZIF5_TRITR Loading...

ADP ribosylation factor 1

GTP-binding protein involved in protein trafficking; may modulate vesicle budding and uncoating within the Golgi apparatus.

AlphaFold DB , UniProt , Accession A0A077ZIF5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 766 aa.

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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
1M49.8Very low80.3Confident119 Ų11958.5 Ų58.559%0.58627%0.269SS*.  0-74.70-72.8-175.9173.200110.5Q3 N7 Y40 I42M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 2.98Å; M1-N7 PolarHBondContact O-OD1 3.09Å; M1-Y40 WeakPolarHBondContact CA-OH 3.37Å; M1-Y40 HydrophobicContact CB-CE2 4.14Å; M1-Y40 HydrophobicContact CG-CD2 4.22Å; M1-Y40 HydrophobicContact CG-CE2 3.85Å; M1-Y40 PolarHBondContact N-OH 3.23Å; M1-Y40 PolarHBondContact O-OH 2.65Å; M1-I42 HydrophobicContact CE-CD1 3.86Å
2Y52.1Low81.5Confident144 Ų14459.6 Ų59.657%0.56527%0.27SS*.THydrogen-bonded Turntrans-70.761.9-174.7-51.2-73.3000116.5N7 K68Y2-N7 WeakPolarHBondContact CD1-ND2 3.2Å; Y2-K68 HydrophobicContact CD1-CB 4.27Å; Y2-K68 HydrophobicContact CD1-CG 4.44Å; Y2-K68 HydrophobicContact CE1-CB 4.49Å
3Q59Low82.1Confident169 Ų16955 Ų5579%0.7925%0.249SC*.THydrogen-bonded Turntrans-73.6-48.7157.6-80.5177.5-34.500109.4M1M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 2.98Å
4N73.3Confident82.4Confident42 Ų4256 Ų5623%0.22526%0.264CS..SBendtrans-99.1164173.9-63-19.8000111.5M6 Q36 V37 S38N4-M6 PolarHBondContact O-N 3.45Å; N4-Q36 WeakPolarHBondContact CB-O 3.4Å; N4-V37 PolarHBondContact ND2-N 3.25Å; N4-V37 VanDerWaalsContact ND2-N 3.2Å; N4-S38 WeakPolarHBondContact CB-OG 3.43Å; N4-S38 PolarHBondContact N-OG 2.77Å; N4-S38 PolarHBondContact ND2-OG 2.96Å
5E83.8Confident82.5Confident134 Ų13462.3 Ų62.363%0.62628%0.284SS*.SBendtrans-67.5-24.2177.4-62.2-156.2134.500113L67 K68E5-L67 WeakPolarHBondContact O-CA 3.45Å; E5-K68 PolarHBondContact O-N 3.32Å
6M91.6Very high82.6Confident11 Ų1158.6 Ų58.65%0.05427%0.267CS..EExtended strand (participates in β ladder)trans-123.2139.8178.1-173163.167.500111.7N4 V37 S38 L67 I89 L92 I93N4-M6 PolarHBondContact O-N 3.45Å; M6-V37 HydrophobicContact CB-CG1 4.41Å; M6-V37 HydrophobicContact CE-CB 4.36Å; M6-V37 HydrophobicContact CE-CG1 4.03Å; M6-V37 HydrophobicContact CE-CG2 3.39Å; M6-V37 HydrophobicContact CG-CG1 4.16Å; M6-V37 WeakPolarHBondContact O-CA 3.31Å; M6-S38 PolarHBondContact O-N 2.64Å; M6-L67 HydrophobicContact CB-CG 4.28Å; M6-L67 HydrophobicContact CG-CD1 3.97Å; M6-L67 HydrophobicContact CG-CG 3.91Å; M6-L67 HydrophobicContact SD-CD1 3.83Å; M6-L67 HydrophobicContact SD-CD2 4.28Å; M6-L67 HydrophobicContact SD-CG 3.92Å; M6-I89 HydrophobicContact CE-CG2 3.76Å; M6-L92 HydrophobicContact CE-CB 4.01Å; M6-L92 HydrophobicContact SD-CB 3.47Å; M6-L92 WeakPolarHBondContact SD-CB 3.46Å; M6-L92 HydrophobicContact SD-CD1 3.77Å; M6-L92 HydrophobicContact SD-CG 4.24Å; M6-I93 HydrophobicContact CE-CD1 4.26Å; M6-I93 HydrophobicContact CE-CG1 3.59Å
7N93.7Very high82.6Confident2 Ų262.2 Ų62.21%0.01128%0.283CS..EExtended strand (participates in β ladder)trans-121.6136.1175.2-48.6-105.8000108.5M1 Y2 V9 S38 Y40 A65 F66M1-N7 PolarHBondContact O-OD1 3.09Å; Y2-N7 WeakPolarHBondContact CD1-ND2 3.2Å; N7-V9 HydrophobicContact CB-CG2 4.47Å; N7-S38 CarbonylContact C-O 3.49Å; N7-S38 WeakPolarHBondContact CA-O 3.47Å; N7-Y40 HydrophobicContact CB-CD2 4.45Å; N7-Y40 HydrophobicContact CB-CE2 4.45Å; N7-A65 CarbonylContact O-C 3.54Å; N7-A65 VanDerWaalsContact O-CA 3.29Å; N7-A65 WeakPolarHBondContact O-CA 3.25Å; N7-F66 HydrophobicContact CB-CB 4.34Å; N7-F66 PolarHBondContact N-O 2.82Å; N7-F66 PolarHBondContact ND2-O 2.9Å; N7-F66 PolarHBondContact O-N 3.39Å
8F95.4Very high82.6Confident1 Ų163.7 Ų63.70%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-117.2118.9172.5-166.2-121.5000109.6F26 V37 S38 F39 Y40 F63 A65 M85 F88 I89F8-F26 HydrophobicContact CD1-CD2 4.25Å; F8-F26 AromaticContact CD1-CE2 3.61Å; F8-F26 HydrophobicContact CD1-CE2 3.61Å; F8-F26 HydrophobicContact CE1-CD2 4.25Å; F8-F26 AromaticContact CE1-CE2 3.95Å; F8-F26 HydrophobicContact CE1-CE2 3.95Å; F8-V37 HydrophobicContact CB-CG1 4Å; F8-S38 PolarHBondContact N-O 2.94Å; F8-F39 HydrophobicContact CB-CD1 4.07Å; F8-F39 HydrophobicContact CB-CE1 3.97Å; F8-F39 HydrophobicContact CB-CZ 4.42Å; F8-F39 AromaticContact CD1-CD1 3.95Å; F8-F39 HydrophobicContact CD1-CD1 3.95Å; F8-F39 AromaticContact CD1-CE1 3.61Å; F8-F39 HydrophobicContact CD1-CE1 3.61Å; F8-F39 HydrophobicContact CG-CE1 4.24Å; F8-F39 WeakPolarHBondContact O-CA 3.32Å; F8-Y40 PolarHBondContact O-N 2.94Å; F8-Y40 VanDerWaalsContact O-N 3.07Å; F8-F63 HydrophobicContact CE1-CB 4.45Å; F8-F63 HydrophobicContact CE1-CD1 4.05Å; F8-F63 HydrophobicContact CE2-CB 4.17Å; F8-F63 HydrophobicContact CZ-CB 3.75Å; F8-F63 HydrophobicContact CZ-CD1 4.19Å; F8-F63 HydrophobicContact CZ-CG 4.26Å; F8-A65 HydrophobicContact CD2-CB 4.01Å; F8-M85 HydrophobicContact CE1-CB 4.47Å; F8-M85 HydrophobicContact CE1-CG 4.42Å; F8-M85 HydrophobicContact CE1-SD 3.94Å; F8-M85 HydrophobicContact CZ-CG 4.35Å; F8-M85 HydrophobicContact CZ-SD 4.29Å; F8-F88 HydrophobicContact CE2-CD1 4.1Å; F8-F88 AromaticContact CE2-CE1 3.83Å; F8-F88 HydrophobicContact CE2-CE1 3.83Å; F8-I89 HydrophobicContact CD1-CD1 4.01Å; F8-I89 HydrophobicContact CE1-CD1 4.22Å; F8-I89 HydrophobicContact CG-CD1 4.3Å
9V95Very high82.9Confident1 Ų160.6 Ų60.61%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-119.2126.6-165.9-174.20000110.4N7 F11 Y40 I42 F63 Q64 F66N7-V9 HydrophobicContact CB-CG2 4.47Å; V9-F11 HydrophobicContact CB-CE2 4.18Å; V9-F11 HydrophobicContact CB-CZ 4.38Å; V9-F11 HydrophobicContact CG1-CD1 4.47Å; V9-F11 HydrophobicContact CG1-CD2 4.25Å; V9-F11 HydrophobicContact CG1-CE1 4.06Å; V9-F11 HydrophobicContact CG1-CE2 3.78Å; V9-F11 HydrophobicContact CG1-CZ 3.68Å; V9-Y40 CarbonylContact C-O 3.6Å; V9-Y40 VanDerWaalsContact CA-O 3.3Å; V9-Y40 WeakPolarHBondContact CA-O 3.06Å; V9-Y40 HydrophobicContact CG2-CD2 4.41Å; V9-I42 HydrophobicContact CG1-CD1 3.69Å; V9-I42 HydrophobicContact CG1-CG1 4.03Å; V9-F63 CarbonylContact O-C 3.6Å; V9-F63 WeakPolarHBondContact O-CA 3.44Å; V9-Q64 PolarHBondContact N-O 2.89Å; V9-Q64 PolarHBondContact O-N 3.35Å; V9-F66 HydrophobicContact CB-CD2 4.32Å; V9-F66 HydrophobicContact CB-CE2 3.94Å; V9-F66 HydrophobicContact CG2-CD2 3.65Å; V9-F66 HydrophobicContact CG2-CE2 3.68Å
10M95.5Very high83Confident9 Ų963.1 Ų63.14%0.04429%0.292CS..EExtended strand (participates in β ladder)trans-98.2111.2169.6-179178.665.600109.5Y12 F26 Y40 A41 I42 P61 F63M10-Y12 HydrophobicContact CE-CD1 4.26Å; M10-Y12 HydrophobicContact CE-CG 4.43Å; M10-F26 HydrophobicContact CB-CD1 4.3Å; M10-F26 HydrophobicContact CB-CD2 4.11Å; M10-F26 HydrophobicContact CB-CE1 3.96Å; M10-F26 HydrophobicContact CB-CE2 3.73Å; M10-F26 HydrophobicContact CB-CG 4.37Å; M10-F26 HydrophobicContact CB-CZ 3.65Å; M10-F26 HydrophobicContact CE-CD1 4.12Å; M10-F26 HydrophobicContact CE-CG 4.49Å; M10-F26 HydrophobicContact SD-CB 4.4Å; M10-F26 HydrophobicContact SD-CD1 4.46Å; M10-F26 HydrophobicContact SD-CG 4.27Å; M10-Y40 PolarHBondContact N-O 3.29Å; M10-A41 HydrophobicContact CE-CB 3.76Å; M10-A41 CarbonylContact O-C 3.55Å; M10-A41 WeakPolarHBondContact O-CA 3.27Å; M10-I42 PolarHBondContact O-N 2.7Å; M10-P61 HydrophobicContact CG-CB 4.09Å; M10-P61 HydrophobicContact SD-CB 4.43Å; M10-F63 HydrophobicContact CB-CD1 3.87Å; M10-F63 HydrophobicContact CB-CE1 3.63Å; M10-F63 HydrophobicContact CG-CD1 4.06Å; M10-F63 HydrophobicContact CG-CE1 3.46Å; M10-F63 VanDerWaalsContact CG-CE1 3.46Å; M10-F63 HydrophobicContact CG-CZ 3.91Å; M10-F63 HydrophobicContact SD-CE1 3.66Å; M10-F63 HydrophobicContact SD-CZ 3.83Å
11F94.5Very high82.9Confident11 Ų1163.9 Ų63.95%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-85.8116.9165.9-58.1-83.1000108.4V9 I42 C44 C51 R55 P61 I62 Q64 F66V9-F11 HydrophobicContact CB-CE2 4.18Å; V9-F11 HydrophobicContact CB-CZ 4.38Å; V9-F11 HydrophobicContact CG1-CD1 4.47Å; V9-F11 HydrophobicContact CG1-CD2 4.25Å; V9-F11 HydrophobicContact CG1-CE1 4.06Å; V9-F11 HydrophobicContact CG1-CE2 3.78Å; V9-F11 HydrophobicContact CG1-CZ 3.68Å; F11-I42 WeakPolarHBondContact CA-O 3.3Å; F11-I42 HydrophobicContact CD1-CB 3.99Å; F11-I42 HydrophobicContact CD1-CD1 4.41Å; F11-I42 HydrophobicContact CD1-CG2 4.17Å; F11-I42 HydrophobicContact CE1-CB 4.28Å; F11-I42 HydrophobicContact CE1-CD1 3.83Å; F11-I42 HydrophobicContact CE1-CG2 4.4Å; F11-I42 HydrophobicContact CZ-CD1 4.48Å; F11-C44 HydrophobicContact CB-CB 4.08Å; F11-C44 HydrophobicContact CD1-CB 4.19Å; F11-C51 WeakPolarHBondContact CD1-SG 3.45Å; F11-R55 VanDerWaalsContact CZ-CZ 3.49Å; F11-R55 VanDerWaalsContact CZ-NH1 3.31Å; F11-P61 WeakPolarHBondContact O-CA 3.5Å; F11-I62 HydrophobicContact CB-CB 4.26Å; F11-I62 HydrophobicContact CD2-CB 4.44Å; F11-I62 PolarHBondContact N-O 2.91Å; F11-I62 PolarHBondContact O-N 3.19Å; F11-Q64 HydrophobicContact CE2-CB 3.99Å; F11-F66 HydrophobicContact CE2-CE2 4.26Å; F11-F66 HydrophobicContact CE2-CZ 4.34Å; F11-F66 HydrophobicContact CZ-CE2 4.25Å; F11-F66 HydrophobicContact CZ-CZ 4.16Å
12Y94.5Very high84.6Confident72 Ų7258.3 Ų58.328%0.28227%0.268SS..EExtended strand (participates in β ladder)trans-125.7162.2-172.579.2-86.3000112.4M10 P14 A41 I42 N43 C44M10-Y12 HydrophobicContact CE-CD1 4.26Å; M10-Y12 HydrophobicContact CE-CG 4.43Å; Y12-P14 HydrophobicContact CE2-CG 4.16Å; Y12-A41 HydrophobicContact CD1-CB 4.12Å; Y12-A41 HydrophobicContact CE1-CB 4Å; Y12-I42 VanDerWaalsContact CD1-C 3.43Å; Y12-I42 VanDerWaalsContact CD1-O 3.27Å; Y12-I42 WeakPolarHBondContact CD1-O 3.47Å; Y12-I42 VanDerWaalsContact CE1-C 3.46Å; Y12-I42 PolarHBondContact N-O 3.19Å; Y12-N43 HydrophobicContact CE1-CB 4.04Å; Y12-N43 VanDerWaalsContact CE1-N 3.28Å; Y12-N43 HydrophobicContact CE2-CB 4.32Å; Y12-C44 PolarHBondContact O-N 3.45Å
13A89.5Confident86.2Confident0 Ų056.7 Ų56.70%026%0.261CS..  trans-118.4133.1167.300000108.8W15 S16 W45 F60A13-W15 HydrophobicContact CB-CD2 4.26Å; A13-W15 HydrophobicContact CB-CZ2 3.94Å; A13-W15 PolarHBondContact O-N 2.99Å; A13-S16 PolarHBondContact O-N 2.75Å; A13-S16 VanDerWaalsContact O-N 3.14Å; A13-W45 HydrophobicContact CB-CB 3.8Å; A13-W45 HydrophobicContact CB-CG 4.24Å; A13-F60 HydrophobicContact CB-CB 4.23Å; A13-F60 HydrophobicContact CB-CD1 3.81Å; A13-F60 HydrophobicContact CB-CD2 3.62Å; A13-F60 HydrophobicContact CB-CE1 3.92Å; A13-F60 HydrophobicContact CB-CE2 3.78Å; A13-F60 HydrophobicContact CB-CG 3.62Å; A13-F60 HydrophobicContact CB-CZ 3.9Å
14P86.5Confident87.3Confident69 Ų6951.1 Ų51.145%0.44824%0.241SC..THydrogen-bonded Turntrans-59.7-21.1-174.6-26.934.9000115.6Y12 N43Y12-P14 HydrophobicContact CE2-CG 4.16Å; P14-N43 WeakPolarHBondContact CD-OD1 3.12Å
15W82.9Confident87.9Confident150 Ų15049.6 Ų49.657%0.56823%0.232SC*.THydrogen-bonded Turntrans-98.6-8.4-17853.7-100.8000114.3A13 F17 W45 F60A13-W15 HydrophobicContact CB-CD2 4.26Å; A13-W15 HydrophobicContact CB-CZ2 3.94Å; A13-W15 PolarHBondContact O-N 2.99Å; W15-F17 PolarHBondContact O-N 2.95Å; W15-W45 AromaticContact CD1-CD1 3.8Å; W15-W45 AromaticContact CD1-NE1 3.86Å; W15-W45 AromaticContact CE2-CE2 3.97Å; W15-W45 AromaticContact CZ2-CD2 3.97Å; W15-W45 HydrophobicContact CZ2-CD2 3.97Å; W15-W45 AromaticContact CZ2-CE2 4Å; W15-W45 HydrophobicContact CZ2-CE3 4.04Å; W15-W45 HydrophobicContact CZ2-CH2 4.14Å; W15-W45 HydrophobicContact CZ2-CZ2 4.09Å; W15-W45 HydrophobicContact CZ2-CZ3 4.13Å; W15-W45 AromaticContact NE1-CD1 3.18Å; W15-W45 AromaticContact NE1-CD2 3.55Å; W15-W45 AromaticContact NE1-CE2 3.35Å; W15-W45 AromaticContact NE1-CG 3.43Å; W15-W45 AromaticContact NE1-NE1 3.1Å; W15-F60 HydrophobicContact CH2-CD2 4.35Å; W15-F60 HydrophobicContact CZ2-CD2 4.36Å; W15-F60 HydrophobicContact CZ2-CE2 4.37Å
16S83.9Confident88.1Confident3 Ų343.8 Ų43.82%0.02121%0.205CC..  trans-74.6124.7179154.80000109.8A13 E18 C19 L20A13-S16 PolarHBondContact O-N 2.75Å; A13-S16 VanDerWaalsContact O-N 3.14Å; S16-E18 VanDerWaalsContact C-N 3.28Å; S16-E18 PolarHBondContact O-N 3.14Å; S16-E18 PolarHBondContact OG-N 2.95Å; S16-E18 PolarHBondContact OG-OE2 3.44Å; S16-C19 VanDerWaalsContact CB-SG 3.51Å; S16-C19 WeakPolarHBondContact O-CB 3.39Å; S16-C19 PolarHBondContact O-N 2.81Å; S16-C19 PolarHBondContact OG-N 3.24Å; S16-C19 VanDerWaalsContact OG-N 3.15Å; S16-C19 PolarHBondContact OG-SG 3.38Å; S16-L20 WeakPolarHBondContact O-CG 3.47Å; S16-L20 PolarHBondContact O-N 3.13Å
17F83.1Confident87.8Confident120 Ų12046.4 Ų46.453%0.52622%0.217SC..Hα-helixtrans-58.7-43.1176.9175-96.4000111.1W15 C19 L20 E21W15-F17 PolarHBondContact O-N 2.95Å; F17-C19 VanDerWaalsContact C-N 3.3Å; F17-C19 PolarHBondContact O-N 2.99Å; F17-L20 WeakPolarHBondContact O-CB 3.42Å; F17-L20 PolarHBondContact O-N 2.66Å; F17-L20 VanDerWaalsContact O-N 3.09Å; F17-E21 PolarHBondContact O-N 3.01Å
18E82.9Confident87.1Confident89 Ų8946.6 Ų46.642%0.41622%0.218SC..Hα-helixtrans-63.3-35.3179-52.785.216900111.8S16 S22S16-E18 VanDerWaalsContact C-N 3.28Å; S16-E18 PolarHBondContact O-N 3.14Å; S16-E18 PolarHBondContact OG-N 2.95Å; S16-E18 PolarHBondContact OG-OE2 3.44Å; E18-S22 WeakPolarHBondContact O-CB 3.25Å; E18-S22 PolarHBondContact O-N 2.7Å; E18-S22 PolarHBondContact O-OG 2.88Å
19C88.2Confident86.6Confident5 Ų546.6 Ų46.63%0.03422%0.218CC..Hα-helixtrans-66.6-38.6173.4-67.10000112.4S16 F17 S22 R23S16-C19 VanDerWaalsContact CB-SG 3.51Å; S16-C19 WeakPolarHBondContact O-CB 3.39Å; S16-C19 PolarHBondContact O-N 2.81Å; S16-C19 PolarHBondContact OG-N 3.24Å; S16-C19 VanDerWaalsContact OG-N 3.15Å; S16-C19 PolarHBondContact OG-SG 3.38Å; F17-C19 VanDerWaalsContact C-N 3.3Å; F17-C19 PolarHBondContact O-N 2.99Å; C19-S22 PolarHBondContact O-OG 3.39Å; C19-R23 PolarHBondContact O-N 3.44Å
20L84.5Confident86.2Confident111 Ų11148 Ų4858%0.58123%0.229SC*.Hα-helixtrans-71.4-40.4178.5-64.9172.6000111.1S16 F17 R23S16-L20 WeakPolarHBondContact O-CG 3.47Å; S16-L20 PolarHBondContact O-N 3.13Å; F17-L20 WeakPolarHBondContact O-CB 3.42Å; F17-L20 PolarHBondContact O-N 2.66Å; F17-L20 VanDerWaalsContact O-N 3.09Å; L20-R23 WeakPolarHBondContact O-CB 3.3Å
21E80.9Confident85.3Confident80 Ų8049.3 Ų49.337%0.37424%0.236SC..Hα-helixtrans-69.1-39.7175.6-166-170.2170.900112.1F17 R23F17-E21 PolarHBondContact O-N 3.01Å; E21-R23 PolarHBondContact O-N 2.67Å
22S86.4Confident84.5Confident1 Ų149 Ų491%0.00724%0.235CC..Hα-helixtrans-70.8-18179.870.10000113.8E18 C19 S24 Q25 F26E18-S22 WeakPolarHBondContact O-CB 3.25Å; E18-S22 PolarHBondContact O-N 2.7Å; E18-S22 PolarHBondContact O-OG 2.88Å; C19-S22 PolarHBondContact O-OG 3.39Å; S22-S24 PolarHBondContact O-N 2.77Å; S22-Q25 PolarHBondContact O-N 3.43Å; S22-F26 PolarHBondContact O-N 2.83Å
23R86.2Confident84Confident110 Ų11046.3 Ų46.342%0.41522%0.224SC..Hα-helixtrans-55.3-53.8-171.8178.6179.2166.5164.34113.1C19 L20 E21 Q25 F26 E27C19-R23 PolarHBondContact O-N 3.44Å; L20-R23 WeakPolarHBondContact O-CB 3.3Å; E21-R23 PolarHBondContact O-N 2.67Å; R23-Q25 VanDerWaalsContact C-N 3.26Å; R23-Q25 PolarHBondContact O-N 2.97Å; R23-F26 PolarHBondContact O-N 3.4Å; R23-F26 VanDerWaalsContact O-N 3.15Å; R23-E27 HydrophobicContact CG-CG 4.42Å; R23-E27 IonicContact CZ-OE1 2.85Å; R23-E27 IonicContact NE-OE1 2.8Å; R23-E27 PolarHBondContact NE-OE1 3.22Å; R23-E27 IonicContact NE-OE2 3.61Å; R23-E27 IonicContact NH2-OE1 3.59Å; R23-E27 PolarHBondContact NH2-OE1 3.2Å; R23-E27 WeakPolarHBondContact O-CG 3.43Å; R23-E27 PolarHBondContact O-N 2.98Å
24S81.9Confident83.5Confident52 Ų5248.7 Ų48.736%0.36424%0.241SC..Hα-helixtrans-64.5-33.9-178.1550000112.1S22 M28 T306S22-S24 PolarHBondContact O-N 2.77Å; S24-M28 WeakPolarHBondContact O-CB 3.24Å; S24-M28 PolarHBondContact O-N 3Å; S24-T306 WeakPolarHBondContact O-CG2 3.29Å
25Q84.4Confident83.2Confident10 Ų1048.8 Ų48.85%0.04724%0.243CC..Hα-helixtrans-70.7-32.6176.4-62.8-17195.800112.2S22 R23 M28 L29 I80 T81 A82S22-Q25 PolarHBondContact O-N 3.43Å; R23-Q25 VanDerWaalsContact C-N 3.26Å; R23-Q25 PolarHBondContact O-N 2.97Å; Q25-M28 WeakPolarHBondContact O-CB 3.08Å; Q25-L29 WeakPolarHBondContact O-CG 3.23Å; Q25-L29 PolarHBondContact O-N 2.96Å; Q25-I80 PolarHBondContact NE2-O 2.66Å; Q25-I80 VanDerWaalsContact NE2-O 3.09Å; Q25-T81 VanDerWaalsContact OE1-CB 3.3Å; Q25-A82 HydrophobicContact CB-CB 3.96Å; Q25-A82 HydrophobicContact CG-CB 4.41Å
26F89Confident83.3Confident12 Ų1245.8 Ų45.85%0.05324%0.236CC..Hα-helixtrans-75.2-40.6173-171.8-103.6000112.2F8 M10 S22 R23 M28 L29 A30 F39 Y40 A41 F63F8-F26 HydrophobicContact CD1-CD2 4.25Å; F8-F26 AromaticContact CD1-CE2 3.61Å; F8-F26 HydrophobicContact CD1-CE2 3.61Å; F8-F26 HydrophobicContact CE1-CD2 4.25Å; F8-F26 AromaticContact CE1-CE2 3.95Å; F8-F26 HydrophobicContact CE1-CE2 3.95Å; M10-F26 HydrophobicContact CB-CD1 4.3Å; M10-F26 HydrophobicContact CB-CD2 4.11Å; M10-F26 HydrophobicContact CB-CE1 3.96Å; M10-F26 HydrophobicContact CB-CE2 3.73Å; M10-F26 HydrophobicContact CB-CG 4.37Å; M10-F26 HydrophobicContact CB-CZ 3.65Å; M10-F26 HydrophobicContact CE-CD1 4.12Å; M10-F26 HydrophobicContact CE-CG 4.49Å; M10-F26 HydrophobicContact SD-CB 4.4Å; M10-F26 HydrophobicContact SD-CD1 4.46Å; M10-F26 HydrophobicContact SD-CG 4.27Å; S22-F26 PolarHBondContact O-N 2.83Å; R23-F26 PolarHBondContact O-N 3.4Å; R23-F26 VanDerWaalsContact O-N 3.15Å; F26-M28 VanDerWaalsContact C-N 3.29Å; F26-M28 PolarHBondContact O-N 3.46Å; F26-L29 PolarHBondContact O-N 3.48Å; F26-A30 PolarHBondContact O-N 2.71Å; F26-F39 HydrophobicContact CD2-CD1 4.35Å; F26-F39 HydrophobicContact CE1-CB 4.22Å; F26-F39 HydrophobicContact CE1-CD1 4.35Å; F26-F39 AromaticContact CE2-CD1 3.83Å; F26-F39 HydrophobicContact CE2-CD1 3.83Å; F26-F39 HydrophobicContact CZ-CB 4.13Å; F26-F39 AromaticContact CZ-CD1 3.83Å; F26-F39 HydrophobicContact CZ-CD1 3.83Å; F26-F39 HydrophobicContact CZ-CG 4.47Å; F26-Y40 WeakPolarHBondContact CZ-O 3.38Å; F26-A41 HydrophobicContact CE1-CB 4.43Å; F26-F63 AromaticContact CD2-CD1 3.92Å; F26-F63 HydrophobicContact CD2-CD1 3.92Å; F26-F63 AromaticContact CD2-CE1 3.54Å; F26-F63 HydrophobicContact CD2-CE1 3.54Å; F26-F63 AromaticContact CE2-CD1 3.98Å; F26-F63 HydrophobicContact CE2-CD1 3.98Å; F26-F63 HydrophobicContact CE2-CE1 4.01Å; F26-F63 HydrophobicContact CG-CE1 4.25Å
27E84.8Confident83.6Confident66 Ų6645.8 Ų45.831%0.30824%0.235SC..Hα-helixtrans-60.8-37.5172.3-72.4169161.900111.2R23 A30 M31R23-E27 HydrophobicContact CG-CG 4.42Å; R23-E27 IonicContact CZ-OE1 2.85Å; R23-E27 IonicContact NE-OE1 2.8Å; R23-E27 PolarHBondContact NE-OE1 3.22Å; R23-E27 IonicContact NE-OE2 3.61Å; R23-E27 IonicContact NH2-OE1 3.59Å; R23-E27 PolarHBondContact NH2-OE1 3.2Å; R23-E27 WeakPolarHBondContact O-CG 3.43Å; R23-E27 PolarHBondContact O-N 2.98Å; E27-A30 WeakPolarHBondContact O-CB 3.26Å; E27-A30 PolarHBondContact O-N 2.73Å; E27-M31 WeakPolarHBondContact O-CG 3.45Å; E27-M31 PolarHBondContact O-N 3.29Å; E27-M31 VanDerWaalsContact O-N 3.13Å
28M78.7Confident84Confident7 Ų740.5 Ų40.53%0.03421%0.213CC..Hα-helixtrans-54.1-54.6171.8-165.7175.7-85.700112.5S24 Q25 F26 A30 M31 F32 A82 T306 V307 M373S24-M28 WeakPolarHBondContact O-CB 3.24Å; S24-M28 PolarHBondContact O-N 3Å; Q25-M28 WeakPolarHBondContact O-CB 3.08Å; F26-M28 VanDerWaalsContact C-N 3.29Å; F26-M28 PolarHBondContact O-N 3.46Å; M28-A30 VanDerWaalsContact C-N 3.28Å; M28-A30 PolarHBondContact O-N 3.34Å; M28-M31 PolarHBondContact O-N 2.91Å; M28-F32 HydrophobicContact CG-CD2 3.73Å; M28-F32 HydrophobicContact CG-CE2 3.6Å; M28-F32 VanDerWaalsContact O-CD2 3.28Å; M28-F32 WeakPolarHBondContact O-CD2 3.5Å; M28-F32 PolarHBondContact O-N 2.78Å; M28-F32 HydrophobicContact SD-CE2 4.26Å; M28-A82 HydrophobicContact CB-CB 4.46Å; M28-A82 HydrophobicContact SD-CB 3.73Å; M28-T306 HydrophobicContact CB-CG2 3.37Å; M28-T306 HydrophobicContact CE-CG2 3.69Å; M28-T306 HydrophobicContact CG-CG2 3.76Å; M28-V307 HydrophobicContact CE-CG2 3.69Å; M28-M373 HydrophobicContact SD-CE 3.8Å; M28-M373 HydrophobicContact SD-CG 4.03Å; M28-M373 HydrophobicContact SD-SD 4.45Å
29L85.5Confident84.5Confident0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-62.6-38-179.1-66.5163.7000111.8Q25 F26 M31 F32 Y33 F39 A82 M85 L86 I89 M373Q25-L29 WeakPolarHBondContact O-CG 3.23Å; Q25-L29 PolarHBondContact O-N 2.96Å; F26-L29 PolarHBondContact O-N 3.48Å; L29-M31 VanDerWaalsContact C-N 3.29Å; L29-M31 PolarHBondContact O-N 2.83Å; L29-F32 PolarHBondContact O-N 2.89Å; L29-Y33 HydrophobicContact CD2-CD2 4.4Å; L29-Y33 HydrophobicContact CD2-CE2 4.26Å; L29-Y33 WeakPolarHBondContact O-CB 3.37Å; L29-Y33 PolarHBondContact O-N 3.3Å; L29-F39 HydrophobicContact CB-CD1 4.37Å; L29-F39 HydrophobicContact CB-CE1 3.47Å; L29-F39 VanDerWaalsContact CB-CE1 3.47Å; L29-F39 HydrophobicContact CB-CZ 3.82Å; L29-F39 VanDerWaalsContact O-CZ 3.31Å; L29-F39 WeakPolarHBondContact O-CZ 3.26Å; L29-A82 WeakPolarHBondContact CD2-O 3.32Å; L29-A82 HydrophobicContact CG-CB 4.41Å; L29-M85 HydrophobicContact CD1-CB 3.41Å; L29-M85 VanDerWaalsContact CD1-CB 3.41Å; L29-M85 HydrophobicContact CD1-CG 4.13Å; L29-M85 HydrophobicContact CD1-SD 3.58Å; L29-M85 VanDerWaalsContact CD1-SD 3.58Å; L29-M85 HydrophobicContact CD2-CB 4.43Å; L29-L86 HydrophobicContact CD2-CB 3.79Å; L29-I89 HydrophobicContact CD2-CD1 4.29Å; L29-M373 HydrophobicContact CD2-CE 4.48Å
30A86.4Confident84.8Confident30 Ų3040.7 Ų40.725%0.24821%0.211CC..Hα-helixtrans-61.2-37.7177.400000112.5F26 E27 M28 S34 F39F26-A30 PolarHBondContact O-N 2.71Å; E27-A30 WeakPolarHBondContact O-CB 3.26Å; E27-A30 PolarHBondContact O-N 2.73Å; M28-A30 VanDerWaalsContact C-N 3.28Å; M28-A30 PolarHBondContact O-N 3.34Å; A30-S34 WeakPolarHBondContact O-CA 3.48Å; A30-S34 WeakPolarHBondContact O-CB 3.39Å; A30-S34 PolarHBondContact O-N 3.15Å; A30-F39 VanDerWaalsContact CA-CD2 3.48Å; A30-F39 HydrophobicContact CB-CB 3.7Å; A30-F39 HydrophobicContact CB-CD1 4.04Å; A30-F39 HydrophobicContact CB-CD2 3.93Å; A30-F39 HydrophobicContact CB-CG 3.63Å
31M77.4Confident85.2Confident37 Ų3738.1 Ų38.118%0.18221%0.206CC..Hα-helixtrans-69.8-52.6173.8-65.3171.8-17500111.1E27 M28 L29 Y33 S34 L302 I355E27-M31 WeakPolarHBondContact O-CG 3.45Å; E27-M31 PolarHBondContact O-N 3.29Å; E27-M31 VanDerWaalsContact O-N 3.13Å; M28-M31 PolarHBondContact O-N 2.91Å; L29-M31 VanDerWaalsContact C-N 3.29Å; L29-M31 PolarHBondContact O-N 2.83Å; M31-Y33 VanDerWaalsContact C-N 3.35Å; M31-Y33 PolarHBondContact O-N 2.98Å; M31-S34 WeakPolarHBondContact O-CB 3.32Å; M31-S34 PolarHBondContact O-N 3.03Å; M31-S34 PolarHBondContact O-OG 2.71Å; M31-L302 HydrophobicContact CB-CD1 4.18Å; M31-L302 HydrophobicContact CG-CD1 4.43Å; M31-L302 HydrophobicContact SD-CD1 3.45Å; M31-L302 WeakPolarHBondContact SD-CD1 3.33Å; M31-I355 HydrophobicContact CE-CB 4.36Å; M31-I355 HydrophobicContact CE-CD1 3.77Å; M31-I355 HydrophobicContact CE-CG2 3.97Å
32F76.9Confident85.8Confident6 Ų636.5 Ų36.53%0.02620%0.199CC..Hα-helixtrans-59.1-38.2-177.9-86.2-69.4000114.4M28 L29 F362 R369 M373M28-F32 HydrophobicContact CG-CD2 3.73Å; M28-F32 HydrophobicContact CG-CE2 3.6Å; M28-F32 VanDerWaalsContact O-CD2 3.28Å; M28-F32 WeakPolarHBondContact O-CD2 3.5Å; M28-F32 PolarHBondContact O-N 2.78Å; M28-F32 HydrophobicContact SD-CE2 4.26Å; L29-F32 PolarHBondContact O-N 2.89Å; F32-F362 HydrophobicContact CD1-CD2 4.27Å; F32-F362 AromaticContact CE1-CD2 3.47Å; F32-F362 HydrophobicContact CE1-CD2 3.47Å; F32-F362 VanDerWaalsContact CE1-CD2 3.47Å; F32-F362 AromaticContact CE1-CE2 3.74Å; F32-F362 HydrophobicContact CE1-CE2 3.74Å; F32-F362 HydrophobicContact CE1-CG 4.36Å; F32-F362 HydrophobicContact CZ-CD2 4.22Å; F32-F362 HydrophobicContact CZ-CE2 4.02Å; F32-R369 HydrophobicContact CD1-CG 3.71Å; F32-R369 HydrophobicContact CE1-CG 3.78Å; F32-M373 HydrophobicContact CD2-SD 4.21Å; F32-M373 HydrophobicContact CE2-CB 4.15Å; F32-M373 HydrophobicContact CE2-CG 4.05Å; F32-M373 HydrophobicContact CE2-SD 3.93Å; F32-M373 HydrophobicContact CZ-CB 3.83Å; F32-M373 HydrophobicContact CZ-CG 4.26Å; F32-M373 HydrophobicContact CZ-SD 4.35Å
33Y83.2Confident86.2Confident15 Ų1538.7 Ų38.76%0.05921%0.211CC..THydrogen-bonded Turntrans-105.710.5-177-75.2-72.1000113.9L29 M31 S35 Q36 V37 F39 L86 I89 D90 I93L29-Y33 HydrophobicContact CD2-CD2 4.4Å; L29-Y33 HydrophobicContact CD2-CE2 4.26Å; L29-Y33 WeakPolarHBondContact O-CB 3.37Å; L29-Y33 PolarHBondContact O-N 3.3Å; M31-Y33 VanDerWaalsContact C-N 3.35Å; M31-Y33 PolarHBondContact O-N 2.98Å; Y33-S35 PolarHBondContact O-N 3.06Å; Y33-Q36 PolarHBondContact O-N 3.25Å; Y33-V37 HydrophobicContact CD1-CG2 4.19Å; Y33-V37 HydrophobicContact CG-CG2 4.26Å; Y33-V37 PolarHBondContact O-N 3.16Å; Y33-F39 HydrophobicContact CD2-CZ 4.17Å; Y33-F39 HydrophobicContact CG-CZ 4.45Å; Y33-L86 HydrophobicContact CE2-CB 4.33Å; Y33-L86 HydrophobicContact CE2-CD1 4.49Å; Y33-L86 HydrophobicContact CE2-CG 3.86Å; Y33-L86 WeakPolarHBondContact OH-CG 3.48Å; Y33-L86 PolarHBondContact OH-O 3.02Å; Y33-L86 VanDerWaalsContact OH-O 3.09Å; Y33-I89 HydrophobicContact CD1-CG2 3.94Å; Y33-I89 HydrophobicContact CD2-CB 4.47Å; Y33-I89 HydrophobicContact CD2-CD1 4.08Å; Y33-I89 HydrophobicContact CD2-CG2 3.87Å; Y33-I89 HydrophobicContact CE1-CG2 3.61Å; Y33-I89 HydrophobicContact CE2-CB 3.8Å; Y33-I89 HydrophobicContact CE2-CD1 3.98Å; Y33-I89 HydrophobicContact CE2-CG2 3.5Å; Y33-I89 HydrophobicContact CG-CG2 4.06Å; Y33-D90 PolarHBondContact OH-N 3.02Å; Y33-D90 PolarHBondContact OH-OD1 3.31Å; Y33-I93 HydrophobicContact CD1-CD1 4.05Å; Y33-I93 HydrophobicContact CE1-CD1 3.67Å
34S79.4Confident86.5Confident49 Ų4933.5 Ų33.534%0.34319%0.191SC..THydrogen-bonded Turntrans-46.7-35.5-177.250.20000114.7A30 M31A30-S34 WeakPolarHBondContact O-CA 3.48Å; A30-S34 WeakPolarHBondContact O-CB 3.39Å; A30-S34 PolarHBondContact O-N 3.15Å; M31-S34 WeakPolarHBondContact O-CB 3.32Å; M31-S34 PolarHBondContact O-N 3.03Å; M31-S34 PolarHBondContact O-OG 2.71Å
35S81.1Confident86.8Confident71 Ų7135.5 Ų35.550%0.49719%0.191SC..THydrogen-bonded Turntrans-77.7-15.1179.357.20000115.7Y33Y33-S35 PolarHBondContact O-N 3.06Å
36Q84Confident87Confident88 Ų8838.5 Ų38.541%0.41121%0.205SC..THydrogen-bonded Turntrans-129.2-25.1-170.9-70.2177.574.300114N4 Y33N4-Q36 WeakPolarHBondContact CB-O 3.4Å; Y33-Q36 PolarHBondContact O-N 3.25Å
37V90.6Very high86.8Confident2 Ų242.2 Ų42.21%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-137.2128.7-171.4-171.80000109.6N4 M6 F8 Y33 F39 I89 I93N4-V37 PolarHBondContact ND2-N 3.25Å; N4-V37 VanDerWaalsContact ND2-N 3.2Å; M6-V37 HydrophobicContact CB-CG1 4.41Å; M6-V37 HydrophobicContact CE-CB 4.36Å; M6-V37 HydrophobicContact CE-CG1 4.03Å; M6-V37 HydrophobicContact CE-CG2 3.39Å; M6-V37 HydrophobicContact CG-CG1 4.16Å; M6-V37 WeakPolarHBondContact O-CA 3.31Å; F8-V37 HydrophobicContact CB-CG1 4Å; Y33-V37 HydrophobicContact CD1-CG2 4.19Å; Y33-V37 HydrophobicContact CG-CG2 4.26Å; Y33-V37 PolarHBondContact O-N 3.16Å; V37-F39 HydrophobicContact CB-CD2 4.38Å; V37-F39 HydrophobicContact CB-CE2 3.66Å; V37-F39 HydrophobicContact CB-CZ 4.27Å; V37-F39 HydrophobicContact CG1-CD2 4.28Å; V37-F39 HydrophobicContact CG1-CE2 3.76Å; V37-F39 HydrophobicContact CG1-CZ 4.1Å; V37-F39 VanDerWaalsContact O-CD2 3.29Å; V37-F39 WeakPolarHBondContact O-CD2 3.48Å; V37-F39 WeakPolarHBondContact O-CE2 3.22Å; V37-I89 HydrophobicContact CG2-CG2 4.06Å; V37-I93 HydrophobicContact CG2-CD1 4.35Å
38S92.1Very high87Confident10 Ų1043.5 Ų43.57%0.0725%0.247CC..EExtended strand (participates in β ladder)trans-88.7123.7177.3-57.10000110.3N4 M6 N7 F8N4-S38 WeakPolarHBondContact CB-OG 3.43Å; N4-S38 PolarHBondContact N-OG 2.77Å; N4-S38 PolarHBondContact ND2-OG 2.96Å; M6-S38 PolarHBondContact O-N 2.64Å; N7-S38 CarbonylContact C-O 3.49Å; N7-S38 WeakPolarHBondContact CA-O 3.47Å; F8-S38 PolarHBondContact N-O 2.94Å
39F93Very high87.4Confident33 Ų3344 Ų4415%0.14525%0.254CS..EExtended strand (participates in β ladder)trans-101.3137-178.5-69.5-109.9000111.2F8 F26 L29 A30 Y33 V37 I89F8-F39 HydrophobicContact CB-CD1 4.07Å; F8-F39 HydrophobicContact CB-CE1 3.97Å; F8-F39 HydrophobicContact CB-CZ 4.42Å; F8-F39 AromaticContact CD1-CD1 3.95Å; F8-F39 HydrophobicContact CD1-CD1 3.95Å; F8-F39 AromaticContact CD1-CE1 3.61Å; F8-F39 HydrophobicContact CD1-CE1 3.61Å; F8-F39 HydrophobicContact CG-CE1 4.24Å; F8-F39 WeakPolarHBondContact O-CA 3.32Å; F26-F39 HydrophobicContact CD2-CD1 4.35Å; F26-F39 HydrophobicContact CE1-CB 4.22Å; F26-F39 HydrophobicContact CE1-CD1 4.35Å; F26-F39 AromaticContact CE2-CD1 3.83Å; F26-F39 HydrophobicContact CE2-CD1 3.83Å; F26-F39 HydrophobicContact CZ-CB 4.13Å; F26-F39 AromaticContact CZ-CD1 3.83Å; F26-F39 HydrophobicContact CZ-CD1 3.83Å; F26-F39 HydrophobicContact CZ-CG 4.47Å; L29-F39 HydrophobicContact CB-CD1 4.37Å; L29-F39 HydrophobicContact CB-CE1 3.47Å; L29-F39 VanDerWaalsContact CB-CE1 3.47Å; L29-F39 HydrophobicContact CB-CZ 3.82Å; L29-F39 VanDerWaalsContact O-CZ 3.31Å; L29-F39 WeakPolarHBondContact O-CZ 3.26Å; A30-F39 VanDerWaalsContact CA-CD2 3.48Å; A30-F39 HydrophobicContact CB-CB 3.7Å; A30-F39 HydrophobicContact CB-CD1 4.04Å; A30-F39 HydrophobicContact CB-CD2 3.93Å; A30-F39 HydrophobicContact CB-CG 3.63Å; Y33-F39 HydrophobicContact CD2-CZ 4.17Å; Y33-F39 HydrophobicContact CG-CZ 4.45Å; V37-F39 HydrophobicContact CB-CD2 4.38Å; V37-F39 HydrophobicContact CB-CE2 3.66Å; V37-F39 HydrophobicContact CB-CZ 4.27Å; V37-F39 HydrophobicContact CG1-CD2 4.28Å; V37-F39 HydrophobicContact CG1-CE2 3.76Å; V37-F39 HydrophobicContact CG1-CZ 4.1Å; V37-F39 VanDerWaalsContact O-CD2 3.29Å; V37-F39 WeakPolarHBondContact O-CD2 3.48Å; V37-F39 WeakPolarHBondContact O-CE2 3.22Å; F39-I89 HydrophobicContact CE1-CD1 4.13Å; F39-I89 HydrophobicContact CZ-CD1 4Å
40Y94Very high87.7Confident64 Ų6449 Ų4925%0.25128%0.28SS..EExtended strand (participates in β ladder)trans-136.2133.5178.7-63.1-73.7000111.1M1 N7 F8 V9 M10 F26M1-Y40 WeakPolarHBondContact CA-OH 3.37Å; M1-Y40 HydrophobicContact CB-CE2 4.14Å; M1-Y40 HydrophobicContact CG-CD2 4.22Å; M1-Y40 HydrophobicContact CG-CE2 3.85Å; M1-Y40 PolarHBondContact N-OH 3.23Å; M1-Y40 PolarHBondContact O-OH 2.65Å; N7-Y40 HydrophobicContact CB-CD2 4.45Å; N7-Y40 HydrophobicContact CB-CE2 4.45Å; F8-Y40 PolarHBondContact O-N 2.94Å; F8-Y40 VanDerWaalsContact O-N 3.07Å; V9-Y40 CarbonylContact C-O 3.6Å; V9-Y40 VanDerWaalsContact CA-O 3.3Å; V9-Y40 WeakPolarHBondContact CA-O 3.06Å; V9-Y40 HydrophobicContact CG2-CD2 4.41Å; M10-Y40 PolarHBondContact N-O 3.29Å; F26-Y40 WeakPolarHBondContact CZ-O 3.38Å
41A94.1Very high87.9Confident58 Ų5848.6 Ų48.648%0.47928%0.275SS..EExtended strand (participates in β ladder)trans-105.9123167.800000109M10 Y12 F26M10-A41 HydrophobicContact CE-CB 3.76Å; M10-A41 CarbonylContact O-C 3.55Å; M10-A41 WeakPolarHBondContact O-CA 3.27Å; Y12-A41 HydrophobicContact CD1-CB 4.12Å; Y12-A41 HydrophobicContact CE1-CB 4Å; F26-A41 HydrophobicContact CE1-CB 4.43Å
42I93.9Very high88.4Confident46 Ų4650.6 Ų50.624%0.23628%0.28CS..EExtended strand (participates in β ladder)trans-118.4118.6-177.8-59.9179.6000108.8M1 V9 M10 F11 Y12 C44 C51M1-I42 HydrophobicContact CE-CD1 3.86Å; V9-I42 HydrophobicContact CG1-CD1 3.69Å; V9-I42 HydrophobicContact CG1-CG1 4.03Å; M10-I42 PolarHBondContact O-N 2.7Å; F11-I42 WeakPolarHBondContact CA-O 3.3Å; F11-I42 HydrophobicContact CD1-CB 3.99Å; F11-I42 HydrophobicContact CD1-CD1 4.41Å; F11-I42 HydrophobicContact CD1-CG2 4.17Å; F11-I42 HydrophobicContact CE1-CB 4.28Å; F11-I42 HydrophobicContact CE1-CD1 3.83Å; F11-I42 HydrophobicContact CE1-CG2 4.4Å; F11-I42 HydrophobicContact CZ-CD1 4.48Å; Y12-I42 VanDerWaalsContact CD1-C 3.43Å; Y12-I42 VanDerWaalsContact CD1-O 3.27Å; Y12-I42 WeakPolarHBondContact CD1-O 3.47Å; Y12-I42 VanDerWaalsContact CE1-C 3.46Å; Y12-I42 PolarHBondContact N-O 3.19Å; I42-C44 PolarHBondContact O-N 2.87Å; I42-C51 HydrophobicContact CG2-CB 4.28Å
43N93.1Very high88.8Confident46 Ų4655.9 Ų55.925%0.24631%0.305CS..EExtended strand (participates in β ladder)trans-67.698.8169.2177.95.5000108.6Y12 P14 W45 E46Y12-N43 HydrophobicContact CE1-CB 4.04Å; Y12-N43 VanDerWaalsContact CE1-N 3.28Å; Y12-N43 HydrophobicContact CE2-CB 4.32Å; P14-N43 WeakPolarHBondContact CD-OD1 3.12Å; N43-W45 VanDerWaalsContact C-N 3.32Å; N43-W45 PolarHBondContact OD1-N 3.19Å; N43-W45 VanDerWaalsContact OD1-N 3.08Å; N43-E46 PolarHBondContact OD1-N 2.8Å
44C93Very high89Confident1 Ų162 Ų621%0.00733%0.334CS..SBendtrans-95.410.6-179.7-155.90000112.1F11 Y12 I42 C51 R52 P57 F60F11-C44 HydrophobicContact CB-CB 4.08Å; F11-C44 HydrophobicContact CD1-CB 4.19Å; Y12-C44 PolarHBondContact O-N 3.45Å; I42-C44 PolarHBondContact O-N 2.87Å; C44-C51 HydrophobicContact CB-CB 3.97Å; C44-C51 WeakPolarHBondContact CB-SG 3.47Å; C44-C51 WeakPolarHBondContact SG-CB 3.37Å; C44-C51 PolarHBondContact SG-O 3.5Å; C44-C51 VanDerWaalsContact SG-O 3.34Å; C44-C51 CovalentContact SG-SG 2.04Å; C44-C51 PolarHBondContact SG-SG 2.93Å; C44-R52 WeakPolarHBondContact O-CB 3.3Å; C44-P57 HydrophobicContact CB-CG 4.36Å; C44-F60 HydrophobicContact CB-CE1 4.06Å
45W88.9Confident89.2Confident94 Ų9464.5 Ų64.536%0.35634%0.336SS..  trans-101.1-9.5170-167.8-103.7000113.3A13 W15 N43 P47 R52 F60A13-W45 HydrophobicContact CB-CB 3.8Å; A13-W45 HydrophobicContact CB-CG 4.24Å; W15-W45 AromaticContact CD1-CD1 3.8Å; W15-W45 AromaticContact CD1-NE1 3.86Å; W15-W45 AromaticContact CE2-CE2 3.97Å; W15-W45 AromaticContact CZ2-CD2 3.97Å; W15-W45 HydrophobicContact CZ2-CD2 3.97Å; W15-W45 AromaticContact CZ2-CE2 4Å; W15-W45 HydrophobicContact CZ2-CE3 4.04Å; W15-W45 HydrophobicContact CZ2-CH2 4.14Å; W15-W45 HydrophobicContact CZ2-CZ2 4.09Å; W15-W45 HydrophobicContact CZ2-CZ3 4.13Å; W15-W45 AromaticContact NE1-CD1 3.18Å; W15-W45 AromaticContact NE1-CD2 3.55Å; W15-W45 AromaticContact NE1-CE2 3.35Å; W15-W45 AromaticContact NE1-CG 3.43Å; W15-W45 AromaticContact NE1-NE1 3.1Å; N43-W45 VanDerWaalsContact C-N 3.32Å; N43-W45 PolarHBondContact OD1-N 3.19Å; N43-W45 VanDerWaalsContact OD1-N 3.08Å; W45-P47 WeakPolarHBondContact O-CD 3.03Å; W45-R52 WeakPolarHBondContact O-CD 3.31Å; W45-R52 PolarHBondContact O-NH1 3.34Å; W45-F60 HydrophobicContact CB-CZ 4.23Å; W45-F60 AromaticContact CE3-CE2 3.63Å; W45-F60 HydrophobicContact CE3-CE2 3.63Å; W45-F60 AromaticContact CE3-CZ 3.86Å; W45-F60 HydrophobicContact CE3-CZ 3.86Å; W45-F60 HydrophobicContact CZ3-CE2 4.14Å
46E89.1Confident89Confident73 Ų7368.2 Ų68.234%0.34135%0.346SS..  trans-53117.6176.4179.140.6-124.400111.2N43 S48 G49N43-E46 PolarHBondContact OD1-N 2.8Å; E46-S48 WeakPolarHBondContact CG-OG 3.44Å; E46-S48 PolarHBondContact O-N 3.03Å; E46-S48 PolarHBondContact OE1-N 2.9Å; E46-S48 VanDerWaalsContact OE1-N 3.1Å; E46-S48 PolarHBondContact OE1-OG 3.49Å; E46-G49 PolarHBondContact O-N 3.36Å
47P84.4Confident88.7Confident91 Ų9165 Ų6559%0.59133%0.332SS*.THydrogen-bonded Turntrans-56.8-35.8-178.1-28.236000114.1W45 G49W45-P47 WeakPolarHBondContact O-CD 3.03Å; P47-G49 VanDerWaalsContact C-N 3.32Å
48S88Confident88.1Confident93 Ų9375 Ų7565%0.6537%0.369SS*.THydrogen-bonded Turntrans-82.3-7.5176.764.10000113.9E46E46-S48 WeakPolarHBondContact CG-OG 3.44Å; E46-S48 PolarHBondContact O-N 3.03Å; E46-S48 PolarHBondContact OE1-N 2.9Å; E46-S48 VanDerWaalsContact OE1-N 3.1Å; E46-S48 PolarHBondContact OE1-OG 3.49Å
49G87.7Confident87.6Confident17 Ų1779.1 Ų79.118%0.17539%0.388CS..  trans-82.7126.9-169.800000113.5E46 P47 C51 R52 Q53E46-G49 PolarHBondContact O-N 3.36Å; P47-G49 VanDerWaalsContact C-N 3.32Å; G49-C51 PolarHBondContact O-N 3.37Å; G49-C51 VanDerWaalsContact O-N 3.08Å; G49-R52 WeakPolarHBondContact O-CB 3.21Å; G49-R52 PolarHBondContact O-N 3.22Å; G49-Q53 PolarHBondContact O-N 3.42Å
50L91.7Very high87.3Confident106 Ų10678.1 Ų78.156%0.55538%0.383SS*.Hα-helixtrans-48.4-39.2174.9-176.266.3000112.6R52 Q53 E54L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 2.91Å; L50-Q53 PolarHBondContact O-N 3.28Å; L50-Q53 VanDerWaalsContact O-N 3.13Å; L50-E54 HydrophobicContact CD1-CG 3.9Å; L50-E54 HydrophobicContact CG-CG 4.1Å; L50-E54 PolarHBondContact O-N 2.04Å
51C90.2Very high87.2Confident20 Ų2075.6 Ų75.614%0.13538%0.375CS..Hα-helixtrans-55.1-43.9177.4-169.10000113F11 I42 C44 G49 R55F11-C51 WeakPolarHBondContact CD1-SG 3.45Å; I42-C51 HydrophobicContact CG2-CB 4.28Å; C44-C51 HydrophobicContact CB-CB 3.97Å; C44-C51 WeakPolarHBondContact CB-SG 3.47Å; C44-C51 WeakPolarHBondContact SG-CB 3.37Å; C44-C51 PolarHBondContact SG-O 3.5Å; C44-C51 VanDerWaalsContact SG-O 3.34Å; C44-C51 CovalentContact SG-SG 2.04Å; C44-C51 PolarHBondContact SG-SG 2.93Å; G49-C51 PolarHBondContact O-N 3.37Å; G49-C51 VanDerWaalsContact O-N 3.08Å; C51-R55 VanDerWaalsContact O-CB 3.28Å; C51-R55 WeakPolarHBondContact O-CB 3.49Å; C51-R55 PolarHBondContact O-N 2.78Å
52R87.3Confident87.1Confident79 Ų7974.5 Ų74.530%0.29836%0.361SS..Hα-helixtrans-67.8-39.5179.2-174.6174174.9162.2-1.5111.2C44 W45 G49 L50 Q56C44-R52 WeakPolarHBondContact O-CB 3.3Å; W45-R52 WeakPolarHBondContact O-CD 3.31Å; W45-R52 PolarHBondContact O-NH1 3.34Å; G49-R52 WeakPolarHBondContact O-CB 3.21Å; G49-R52 PolarHBondContact O-N 3.22Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 2.91Å; R52-Q56 WeakPolarHBondContact O-CA 3.45Å; R52-Q56 WeakPolarHBondContact O-CG 3.4Å; R52-Q56 PolarHBondContact O-N 2.91Å; R52-Q56 VanDerWaalsContact O-N 3.12Å
53Q87.2Confident87.1Confident118 Ų11872.6 Ų72.655%0.55135%0.351SS*.Hα-helixtrans-67.8-46.8-178.1-62.7175.43.200111.7G49 L50G49-Q53 PolarHBondContact O-N 3.42Å; L50-Q53 PolarHBondContact O-N 3.28Å; L50-Q53 VanDerWaalsContact O-N 3.13Å
54E87.1Confident87.2Confident142 Ų14271.3 Ų71.366%0.66434%0.343SS*.Hα-helixtrans-77.3-40.7-178.2-68-176.5162.500113.6L50L50-E54 HydrophobicContact CD1-CG 3.9Å; L50-E54 HydrophobicContact CG-CG 4.1Å; L50-E54 PolarHBondContact O-N 2.04Å
55R83Confident87.3Confident103 Ų10371.3 Ų71.339%0.38934%0.343SS..Hα-helixtrans-98.5-25.5-169.3-63.1-179.7163.7-127.8-6.5114.5F11 C51 P57F11-R55 VanDerWaalsContact CZ-CZ 3.49Å; F11-R55 VanDerWaalsContact CZ-NH1 3.31Å; C51-R55 VanDerWaalsContact O-CB 3.28Å; C51-R55 WeakPolarHBondContact O-CB 3.49Å; C51-R55 PolarHBondContact O-N 2.78Å; R55-P57 VanDerWaalsContact C-CD 3.49Å; R55-P57 VanDerWaalsContact C-N 3.28Å; R55-P57 VanDerWaalsContact O-N 3.13Å
56Q77.3Confident87.6Confident149 Ų14968.9 Ų68.970%0.69634%0.335SS*.  trans35.454.3-173.4-61.5-170.9-300113.6R52 R58R52-Q56 WeakPolarHBondContact O-CA 3.45Å; R52-Q56 WeakPolarHBondContact O-CG 3.4Å; R52-Q56 PolarHBondContact O-N 2.91Å; R52-Q56 VanDerWaalsContact O-N 3.12Å; Q56-R58 PolarHBondContact O-N 2.91Å
57P77.3Confident87.8Confident19 Ų1966 Ų6612%0.12332%0.322CS..  trans-60.4126.3-17226.6-36.4000110.9C44 R55 E59 F60 I62C44-P57 HydrophobicContact CB-CG 4.36Å; R55-P57 VanDerWaalsContact C-CD 3.49Å; R55-P57 VanDerWaalsContact C-N 3.28Å; R55-P57 VanDerWaalsContact O-N 3.13Å; P57-E59 VanDerWaalsContact C-N 3.28Å; P57-F60 HydrophobicContact CB-CE1 4.34Å; P57-F60 HydrophobicContact CB-CZ 4.13Å; P57-F60 HydrophobicContact CG-CE1 3.82Å; P57-F60 HydrophobicContact CG-CE2 4.18Å; P57-F60 HydrophobicContact CG-CZ 3.44Å; P57-F60 VanDerWaalsContact CG-CZ 3.44Å; P57-I62 HydrophobicContact CB-CD1 3.68Å
58R78.3Confident87.8Confident212 Ų21268.5 Ų68.580%0.832%0.323SS*.SBendtrans-82.7-7.1178.3-62.2-173-179.6-162.8-0.2113.3Q56Q56-R58 PolarHBondContact O-N 2.91Å
59E81Confident87.4Confident98 Ų9869.6 Ų69.646%0.45832%0.318SS..SBendtrans-150.7158.7-176.363.4179.7164.600111.7P57 I62 K218P57-E59 VanDerWaalsContact C-N 3.28Å; E59-I62 HydrophobicContact CG-CG1 4.39Å; E59-I62 WeakPolarHBondContact O-CD1 3.5Å; E59-I62 WeakPolarHBondContact O-CG1 3.48Å; E59-K218 WeakPolarHBondContact OE2-CD 3.37Å; E59-K218 IonicContact OE2-NZ 3.38Å; E59-K218 PolarHBondContact OE2-NZ 2.71Å
60F86.9Confident87.3Confident11 Ų1169.5 Ų69.55%0.04832%0.315CS..SBendtrans-145.6155.6-179.1-67.6-82000110.2A13 W15 C44 W45 P57A13-F60 HydrophobicContact CB-CB 4.23Å; A13-F60 HydrophobicContact CB-CD1 3.81Å; A13-F60 HydrophobicContact CB-CD2 3.62Å; A13-F60 HydrophobicContact CB-CE1 3.92Å; A13-F60 HydrophobicContact CB-CE2 3.78Å; A13-F60 HydrophobicContact CB-CG 3.62Å; A13-F60 HydrophobicContact CB-CZ 3.9Å; W15-F60 HydrophobicContact CH2-CD2 4.35Å; W15-F60 HydrophobicContact CZ2-CD2 4.36Å; W15-F60 HydrophobicContact CZ2-CE2 4.37Å; C44-F60 HydrophobicContact CB-CE1 4.06Å; W45-F60 HydrophobicContact CB-CZ 4.23Å; W45-F60 AromaticContact CE3-CE2 3.63Å; W45-F60 HydrophobicContact CE3-CE2 3.63Å; W45-F60 AromaticContact CE3-CZ 3.86Å; W45-F60 HydrophobicContact CE3-CZ 3.86Å; W45-F60 HydrophobicContact CZ3-CE2 4.14Å; P57-F60 HydrophobicContact CB-CE1 4.34Å; P57-F60 HydrophobicContact CB-CZ 4.13Å; P57-F60 HydrophobicContact CG-CE1 3.82Å; P57-F60 HydrophobicContact CG-CE2 4.18Å; P57-F60 HydrophobicContact CG-CZ 3.44Å; P57-F60 VanDerWaalsContact CG-CZ 3.44Å
61P92.3Very high86.6Confident11 Ų1170.2 Ų70.27%0.07133%0.326CS..  cis-66.6158.5-19.330.8-36.3000111.5M10 F11 F63 I80M10-P61 HydrophobicContact CG-CB 4.09Å; M10-P61 HydrophobicContact SD-CB 4.43Å; F11-P61 WeakPolarHBondContact O-CA 3.5Å; P61-F63 HydrophobicContact CB-CD2 4.48Å; P61-F63 HydrophobicContact CB-CE2 3.77Å; P61-F63 HydrophobicContact CB-CZ 3.91Å; P61-F63 HydrophobicContact CG-CD2 4.38Å; P61-F63 HydrophobicContact CG-CE2 3.45Å; P61-F63 VanDerWaalsContact CG-CE2 3.45Å; P61-F63 HydrophobicContact CG-CZ 3.83Å; P61-I80 HydrophobicContact CG-CD1 3.99Å; P61-I80 HydrophobicContact CG-CG2 4.37Å
62I91.9Very high86.2Confident36 Ų3672.7 Ų72.719%0.18534%0.336CS..EExtended strand (participates in β ladder)trans-116122.8167.1-56.8172.5000108F11 P57 E59 V75F11-I62 HydrophobicContact CB-CB 4.26Å; F11-I62 HydrophobicContact CD2-CB 4.44Å; F11-I62 PolarHBondContact N-O 2.91Å; F11-I62 PolarHBondContact O-N 3.19Å; P57-I62 HydrophobicContact CB-CD1 3.68Å; E59-I62 HydrophobicContact CG-CG1 4.39Å; E59-I62 WeakPolarHBondContact O-CD1 3.5Å; E59-I62 WeakPolarHBondContact O-CG1 3.48Å; I62-V75 HydrophobicContact CG2-CG1 4.35Å
63F94.4Very high86.3Confident5 Ų569.5 Ų69.52%0.02233%0.328CS..EExtended strand (participates in β ladder)trans-100.5130.7175-62.3-82.4000110.2F8 V9 M10 F26 P61 Y76 I80 M85F8-F63 HydrophobicContact CE1-CB 4.45Å; F8-F63 HydrophobicContact CE1-CD1 4.05Å; F8-F63 HydrophobicContact CE2-CB 4.17Å; F8-F63 HydrophobicContact CZ-CB 3.75Å; F8-F63 HydrophobicContact CZ-CD1 4.19Å; F8-F63 HydrophobicContact CZ-CG 4.26Å; V9-F63 CarbonylContact O-C 3.6Å; V9-F63 WeakPolarHBondContact O-CA 3.44Å; M10-F63 HydrophobicContact CB-CD1 3.87Å; M10-F63 HydrophobicContact CB-CE1 3.63Å; M10-F63 HydrophobicContact CG-CD1 4.06Å; M10-F63 HydrophobicContact CG-CE1 3.46Å; M10-F63 VanDerWaalsContact CG-CE1 3.46Å; M10-F63 HydrophobicContact CG-CZ 3.91Å; M10-F63 HydrophobicContact SD-CE1 3.66Å; M10-F63 HydrophobicContact SD-CZ 3.83Å; F26-F63 AromaticContact CD2-CD1 3.92Å; F26-F63 HydrophobicContact CD2-CD1 3.92Å; F26-F63 AromaticContact CD2-CE1 3.54Å; F26-F63 HydrophobicContact CD2-CE1 3.54Å; F26-F63 AromaticContact CE2-CD1 3.98Å; F26-F63 HydrophobicContact CE2-CD1 3.98Å; F26-F63 HydrophobicContact CE2-CE1 4.01Å; F26-F63 HydrophobicContact CG-CE1 4.25Å; P61-F63 HydrophobicContact CB-CD2 4.48Å; P61-F63 HydrophobicContact CB-CE2 3.77Å; P61-F63 HydrophobicContact CB-CZ 3.91Å; P61-F63 HydrophobicContact CG-CD2 4.38Å; P61-F63 HydrophobicContact CG-CE2 3.45Å; P61-F63 VanDerWaalsContact CG-CE2 3.45Å; P61-F63 HydrophobicContact CG-CZ 3.83Å; F63-Y76 HydrophobicContact CB-CD1 4.03Å; F63-Y76 HydrophobicContact CB-CG 4.41Å; F63-Y76 HydrophobicContact CD2-CD1 4.29Å; F63-Y76 HydrophobicContact CG-CD1 4.44Å; F63-Y76 PolarHBondContact O-N 2.93Å; F63-I80 HydrophobicContact CE2-CG1 4.29Å; F63-I80 HydrophobicContact CE2-CG2 3.71Å; F63-I80 HydrophobicContact CZ-CG2 4.11Å; F63-M85 HydrophobicContact CD1-CE 4.17Å; F63-M85 HydrophobicContact CD1-SD 4.21Å; F63-M85 HydrophobicContact CD2-CE 3.77Å; F63-M85 HydrophobicContact CE1-CE 3.86Å; F63-M85 HydrophobicContact CE1-SD 4.16Å; F63-M85 HydrophobicContact CE2-CE 3.43Å; F63-M85 VanDerWaalsContact CE2-CE 3.43Å; F63-M85 HydrophobicContact CG-CE 4.13Å; F63-M85 HydrophobicContact CG-SD 4.48Å; F63-M85 HydrophobicContact CZ-CE 3.5Å; F63-M85 HydrophobicContact CZ-SD 4.39Å
64Q94.7Very high86.6Confident20 Ų2063.9 Ų63.99%0.09330%0.302CS..EExtended strand (participates in β ladder)trans-141.8131.4-178-163.8171.723.800111.3V9 F11 F66 G73 L74 V75V9-Q64 PolarHBondContact N-O 2.89Å; V9-Q64 PolarHBondContact O-N 3.35Å; F11-Q64 HydrophobicContact CE2-CB 3.99Å; Q64-F66 HydrophobicContact CB-CE2 3.89Å; Q64-F66 HydrophobicContact CB-CZ 4.25Å; Q64-F66 VanDerWaalsContact CD-CZ 3.49Å; Q64-F66 HydrophobicContact CG-CE1 4.46Å; Q64-F66 HydrophobicContact CG-CE2 3.86Å; Q64-F66 HydrophobicContact CG-CZ 3.85Å; Q64-G73 VanDerWaalsContact NE2-C 3.28Å; Q64-G73 PolarHBondContact NE2-O 2.8Å; Q64-L74 CarbonylContact C-O 3.59Å; Q64-L74 WeakPolarHBondContact CA-O 3.37Å; Q64-V75 HydrophobicContact CG-CG2 4.25Å
65A95.7Very high86.8Confident0 Ų059.8 Ų59.80%029%0.287CS..EExtended strand (participates in β ladder)trans-95.6133.1175.100000111.5N7 F8 L67 G73 L74 F88 L92N7-A65 CarbonylContact O-C 3.54Å; N7-A65 VanDerWaalsContact O-CA 3.29Å; N7-A65 WeakPolarHBondContact O-CA 3.25Å; F8-A65 HydrophobicContact CD2-CB 4.01Å; A65-L67 HydrophobicContact CB-CD1 4.11Å; A65-G73 CarbonylContact O-C 3.29Å; A65-G73 WeakPolarHBondContact O-CA 3.47Å; A65-L74 HydrophobicContact CB-CB 4.49Å; A65-L74 PolarHBondContact N-O 3.18Å; A65-L74 PolarHBondContact O-N 2.97Å; A65-F88 HydrophobicContact CB-CE1 4.32Å; A65-L92 HydrophobicContact CB-CD1 3.34Å; A65-L92 HydrophobicContact CB-CD2 4.47Å
66F94.3Very high87.2Confident44 Ų4455.5 Ų55.519%0.19327%0.271CS..EExtended strand (participates in β ladder)trans-120.7114.4176-58.8-97.2000109.7N7 V9 F11 Q64N7-F66 HydrophobicContact CB-CB 4.34Å; N7-F66 PolarHBondContact N-O 2.82Å; N7-F66 PolarHBondContact ND2-O 2.9Å; N7-F66 PolarHBondContact O-N 3.39Å; V9-F66 HydrophobicContact CB-CD2 4.32Å; V9-F66 HydrophobicContact CB-CE2 3.94Å; V9-F66 HydrophobicContact CG2-CD2 3.65Å; V9-F66 HydrophobicContact CG2-CE2 3.68Å; F11-F66 HydrophobicContact CE2-CE2 4.26Å; F11-F66 HydrophobicContact CE2-CZ 4.34Å; F11-F66 HydrophobicContact CZ-CE2 4.25Å; F11-F66 HydrophobicContact CZ-CZ 4.16Å; Q64-F66 HydrophobicContact CB-CE2 3.89Å; Q64-F66 HydrophobicContact CB-CZ 4.25Å; Q64-F66 VanDerWaalsContact CD-CZ 3.49Å; Q64-F66 HydrophobicContact CG-CE1 4.46Å; Q64-F66 HydrophobicContact CG-CE2 3.86Å; Q64-F66 HydrophobicContact CG-CZ 3.85Å
67L92.6Very high87.6Confident12 Ų1251.2 Ų51.26%0.06326%0.261CS..EExtended strand (participates in β ladder)trans-104.7135.5-179.9-70.274.3000108.8E5 M6 A65 Q69 V70 L74 L92 L140E5-L67 WeakPolarHBondContact O-CA 3.45Å; M6-L67 HydrophobicContact CB-CG 4.28Å; M6-L67 HydrophobicContact CG-CD1 3.97Å; M6-L67 HydrophobicContact CG-CG 3.91Å; M6-L67 HydrophobicContact SD-CD1 3.83Å; M6-L67 HydrophobicContact SD-CD2 4.28Å; M6-L67 HydrophobicContact SD-CG 3.92Å; A65-L67 HydrophobicContact CB-CD1 4.11Å; L67-Q69 PolarHBondContact O-N 3.44Å; L67-V70 HydrophobicContact CB-CB 4.07Å; L67-V70 HydrophobicContact CB-CG2 3.72Å; L67-V70 HydrophobicContact CD2-CG2 4.35Å; L67-V70 PolarHBondContact O-N 3.45Å; L67-V70 VanDerWaalsContact O-O 3.13Å; L67-L74 HydrophobicContact CD1-CD1 4.16Å; L67-L92 HydrophobicContact CD1-CD2 4.38Å; L67-L140 HydrophobicContact CD2-CD1 4.05Å; L67-L140 HydrophobicContact CD2-CD2 4.21Å
68K85.4Confident87.9Confident143 Ų14350.8 Ų50.862%0.62226%0.26SS*.THydrogen-bonded Turntrans-54.2-29.8-171.3-174.1177.6178.7-179.30115.2Y2 E5Y2-K68 HydrophobicContact CD1-CB 4.27Å; Y2-K68 HydrophobicContact CD1-CG 4.44Å; Y2-K68 HydrophobicContact CE1-CB 4.49Å; E5-K68 PolarHBondContact O-N 3.32Å
69Q79.7Confident88.2Confident116 Ų11640.9 Ų40.954%0.54222%0.223SC..THydrogen-bonded Turntrans-94-9.3179.1-60.8-178.38.700113.4L67 Y137L67-Q69 PolarHBondContact O-N 3.44Å; Q69-Y137 PolarHBondContact O-OH 3.01Å
70V85.1Confident88.3Confident16 Ų1638.1 Ų38.110%0.09721%0.211CC..  trans-105.1116.7-173.5-173.60000108.7L67 I72 Y136 Y137 L140L67-V70 HydrophobicContact CB-CB 4.07Å; L67-V70 HydrophobicContact CB-CG2 3.72Å; L67-V70 HydrophobicContact CD2-CG2 4.35Å; L67-V70 PolarHBondContact O-N 3.45Å; L67-V70 VanDerWaalsContact O-O 3.13Å; V70-I72 HydrophobicContact CG1-CG1 3.92Å; V70-I72 PolarHBondContact O-N 3.01Å; V70-I72 VanDerWaalsContact O-N 3.11Å; V70-Y136 HydrophobicContact CG2-CE1 4.3Å; V70-Y137 HydrophobicContact CG2-CD1 4.07Å; V70-Y137 HydrophobicContact CG2-CE1 3.89Å; V70-L140 HydrophobicContact CG2-CD1 3.61Å
71P77.2Confident88.2Confident121 Ų12138 Ų3879%0.78621%0.211SC*.SBendtrans-72.6-5.8-172.729.6-36.7000114.3
72I82.4Confident87.8Confident71 Ų7137.5 Ų37.536%0.36421%0.208SC..SBendtrans-119.8141.6-179.660.2172.1000110.1V70 L74 K141V70-I72 HydrophobicContact CG1-CG1 3.92Å; V70-I72 PolarHBondContact O-N 3.01Å; V70-I72 VanDerWaalsContact O-N 3.11Å; I72-L74 HydrophobicContact CD1-CD2 4.4Å; I72-K141 HydrophobicContact CD1-CD 4.47Å; I72-K141 HydrophobicContact CD1-CG 4.19Å
73G89Confident87.5Confident12 Ų1236 Ų3612%0.12420%0.2CC..  trans-77.1127.8167.300000110.3Q64 A65Q64-G73 VanDerWaalsContact NE2-C 3.28Å; Q64-G73 PolarHBondContact NE2-O 2.8Å; A65-G73 CarbonylContact O-C 3.29Å; A65-G73 WeakPolarHBondContact O-CA 3.47Å
74L93Very high87.2Confident0 Ų036.1 Ų36.10%020%0.2CC..EExtended strand (participates in β ladder)trans-84.3115.5-179.7-60.6165.8000109.4Q64 A65 L67 I72 L92 L140 Q144Q64-L74 CarbonylContact C-O 3.59Å; Q64-L74 WeakPolarHBondContact CA-O 3.37Å; A65-L74 HydrophobicContact CB-CB 4.49Å; A65-L74 PolarHBondContact N-O 3.18Å; A65-L74 PolarHBondContact O-N 2.97Å; L67-L74 HydrophobicContact CD1-CD1 4.16Å; I72-L74 HydrophobicContact CD1-CD2 4.4Å; L74-L92 HydrophobicContact CD1-CD2 3.55Å; L74-L140 HydrophobicContact CD1-CB 3.92Å; L74-L140 HydrophobicContact CD1-CD1 4.42Å; L74-L140 HydrophobicContact CD1-CD2 3.95Å; L74-L140 HydrophobicContact CD1-CG 4.34Å; L74-Q144 HydrophobicContact CB-CG 4.18Å; L74-Q144 HydrophobicContact CD2-CG 4.11Å
75V91.7Very high87.1Confident57 Ų5735.1 Ų35.135%0.34520%0.196SC..EExtended strand (participates in β ladder)trans-76.5131.6179.9-178.40000109.9I62 Q64 Q144I62-V75 HydrophobicContact CG2-CG1 4.35Å; Q64-V75 HydrophobicContact CG-CG2 4.25Å; V75-Q144 WeakPolarHBondContact O-CG 3.27Å
76Y92.3Very high86.8Confident13 Ų1335.5 Ų35.55%0.05120%0.198CC..  trans-87.7121.6174.8170.3-101.6000110.5F63 G78 A79 Y84 M85 F88 P147F63-Y76 HydrophobicContact CB-CD1 4.03Å; F63-Y76 HydrophobicContact CB-CG 4.41Å; F63-Y76 HydrophobicContact CD2-CD1 4.29Å; F63-Y76 HydrophobicContact CG-CD1 4.44Å; F63-Y76 PolarHBondContact O-N 2.93Å; Y76-G78 WeakPolarHBondContact CE1-O 3.11Å; Y76-G78 WeakPolarHBondContact OH-CA 3.37Å; Y76-A79 WeakPolarHBondContact CE1-O 3.49Å; Y76-A79 PolarHBondContact OH-N 3.3Å; Y76-A79 PolarHBondContact OH-O 3.36Å; Y76-Y84 VanDerWaalsContact OH-C 3.32Å; Y76-Y84 WeakPolarHBondContact OH-CB 2.93Å; Y76-M85 HydrophobicContact CD1-CG 4.24Å; Y76-M85 HydrophobicContact CE1-CE 4.17Å; Y76-M85 HydrophobicContact CE1-CG 3.6Å; Y76-M85 HydrophobicContact CE2-CG 4.36Å; Y76-M85 PolarHBondContact OH-N 3.22Å; Y76-F88 HydrophobicContact CD2-CB 3.76Å; Y76-F88 AromaticContact CD2-CD1 3.49Å; Y76-F88 HydrophobicContact CD2-CD1 3.49Å; Y76-F88 VanDerWaalsContact CD2-CD1 3.49Å; Y76-F88 AromaticContact CD2-CD2 3.82Å; Y76-F88 HydrophobicContact CD2-CD2 3.82Å; Y76-F88 AromaticContact CD2-CE1 3.9Å; Y76-F88 HydrophobicContact CD2-CE1 3.9Å; Y76-F88 HydrophobicContact CD2-CE2 4.18Å; Y76-F88 AromaticContact CD2-CG 3.43Å; Y76-F88 HydrophobicContact CD2-CG 3.43Å; Y76-F88 VanDerWaalsContact CD2-CG 3.43Å; Y76-F88 HydrophobicContact CD2-CZ 4.22Å; Y76-F88 HydrophobicContact CE2-CB 3.66Å; Y76-F88 HydrophobicContact CE2-CD1 4.23Å; Y76-F88 HydrophobicContact CE2-CD2 4.42Å; Y76-F88 AromaticContact CE2-CG 3.89Å; Y76-F88 HydrophobicContact CE2-CG 3.89Å; Y76-F88 HydrophobicContact CG-CD1 4.18Å; Y76-F88 HydrophobicContact CG-CE1 4.26Å; Y76-F88 HydrophobicContact CG-CG 4.49Å; Y76-P147 HydrophobicContact CD2-CB 4.26Å; Y76-P147 HydrophobicContact CE2-CB 4.16Å
77A84.6Confident86.5Confident59 Ų5935.3 Ų35.349%0.48820%0.197SC..  trans-11012.8-179.700000113.7Q144 N214A77-Q144 WeakPolarHBondContact CB-O 3.05Å; A77-N214 PolarHBondContact O-ND2 2.92Å
78G84.3Confident86.6Confident10 Ų1034.7 Ų34.710%0.10319%0.194CC..SBendtrans-77.5-179.7178.800000113.7Y76 N214Y76-G78 WeakPolarHBondContact CE1-O 3.11Å; Y76-G78 WeakPolarHBondContact OH-CA 3.37Å; G78-N214 WeakPolarHBondContact CA-ND2 3.43Å
79A83.4Confident87Confident3 Ų327.9 Ų27.93%0.02516%0.164CC..  trans-58.9145.6171.700000111Y76 T81 Y84Y76-A79 WeakPolarHBondContact CE1-O 3.49Å; Y76-A79 PolarHBondContact OH-N 3.3Å; Y76-A79 PolarHBondContact OH-O 3.36Å; A79-T81 PolarHBondContact O-N 2.68Å; A79-Y84 HydrophobicContact CB-CD1 3.75Å; A79-Y84 HydrophobicContact CB-CD2 4.19Å; A79-Y84 HydrophobicContact CB-CE1 4.04Å; A79-Y84 HydrophobicContact CB-CE2 4.49Å; A79-Y84 HydrophobicContact CB-CG 3.83Å
80I84.5Confident87.5Confident41 Ų4124 Ų2421%0.2115%0.147CC..SBendtrans-82.663.3-177.7-56.8173.3000109.7Q25 P61 F63 M85Q25-I80 PolarHBondContact NE2-O 2.66Å; Q25-I80 VanDerWaalsContact NE2-O 3.09Å; P61-I80 HydrophobicContact CG-CD1 3.99Å; P61-I80 HydrophobicContact CG-CG2 4.37Å; F63-I80 HydrophobicContact CE2-CG1 4.29Å; F63-I80 HydrophobicContact CE2-CG2 3.71Å; F63-I80 HydrophobicContact CZ-CG2 4.11Å; I80-M85 HydrophobicContact CB-CE 4.32Å; I80-M85 HydrophobicContact CG2-CE 3.8Å
81T83.1Confident87.9Confident9 Ų924.6 Ų24.66%0.05515%0.149CC..SBendtrans-138.6153.8179.561.30000112.9Q25 A79 D83 Y84 M85Q25-T81 VanDerWaalsContact OE1-CB 3.3Å; A79-T81 PolarHBondContact O-N 2.68Å; T81-D83 VanDerWaalsContact C-N 3.34Å; T81-D83 WeakPolarHBondContact CB-OD1 3.48Å; T81-D83 PolarHBondContact O-N 3.3Å; T81-D83 PolarHBondContact OG1-OD1 3.06Å; T81-Y84 PolarHBondContact O-N 3.17Å; T81-Y84 WeakPolarHBondContact OG1-CD2 3.32Å; T81-M85 WeakPolarHBondContact O-CB 3.48Å; T81-M85 WeakPolarHBondContact O-CG 3.4Å; T81-M85 PolarHBondContact O-N 3.49Å
82A85.5Confident88.8Confident0 Ų018.9 Ų18.90%011%0.112CC..Hα-helixtrans-64.2-37.2-171.200000112.4Q25 M28 L29 L86 M373Q25-A82 HydrophobicContact CB-CB 3.96Å; Q25-A82 HydrophobicContact CG-CB 4.41Å; M28-A82 HydrophobicContact CB-CB 4.46Å; M28-A82 HydrophobicContact SD-CB 3.73Å; L29-A82 WeakPolarHBondContact CD2-O 3.32Å; L29-A82 HydrophobicContact CG-CB 4.41Å; A82-L86 WeakPolarHBondContact O-CB 3.44Å; A82-L86 PolarHBondContact O-N 3.33Å; A82-M373 HydrophobicContact CB-CE 3.31Å; A82-M373 WeakPolarHBondContact O-CE 3.41Å
83D84.1Confident89.2Confident3 Ų318.1 Ų18.12%0.01611%0.108CC..Hα-helixtrans-67-43.817749.9-15.7000114.1T81 L86 K87 L241 L377 Y379T81-D83 VanDerWaalsContact C-N 3.34Å; T81-D83 WeakPolarHBondContact CB-OD1 3.48Å; T81-D83 PolarHBondContact O-N 3.3Å; T81-D83 PolarHBondContact OG1-OD1 3.06Å; D83-L86 PolarHBondContact O-N 3.35Å; D83-K87 WeakPolarHBondContact O-CB 3.49Å; D83-K87 PolarHBondContact O-N 3.47Å; D83-L241 HydrophobicContact CB-CD1 3.93Å; D83-L241 HydrophobicContact CB-CD2 3.95Å; D83-L241 HydrophobicContact CB-CG 3.7Å; D83-L377 HydrophobicContact CB-CD1 3.53Å; D83-Y379 VanDerWaalsContact CB-OH 3.25Å; D83-Y379 WeakPolarHBondContact CB-OH 3.06Å; D83-Y379 WeakPolarHBondContact OD2-CE2 3.34Å; D83-Y379 PolarHBondContact OD2-OH 3.37Å
84Y89.1Confident89.4Confident8 Ų823 Ų233%0.03113%0.131CC..Hα-helixtrans-67.9-40.2177.5-79.5-117.4000111.7Y76 A79 T81 K87 F88 L148 L240 D414 H417Y76-Y84 VanDerWaalsContact OH-C 3.32Å; Y76-Y84 WeakPolarHBondContact OH-CB 2.93Å; A79-Y84 HydrophobicContact CB-CD1 3.75Å; A79-Y84 HydrophobicContact CB-CD2 4.19Å; A79-Y84 HydrophobicContact CB-CE1 4.04Å; A79-Y84 HydrophobicContact CB-CE2 4.49Å; A79-Y84 HydrophobicContact CB-CG 3.83Å; T81-Y84 PolarHBondContact O-N 3.17Å; T81-Y84 WeakPolarHBondContact OG1-CD2 3.32Å; Y84-K87 PolarHBondContact O-N 3.27Å; Y84-F88 PolarHBondContact O-N 2.59Å; Y84-L148 HydrophobicContact CD1-CD1 3.73Å; Y84-L148 HydrophobicContact CD1-CD2 4.18Å; Y84-L148 HydrophobicContact CD1-CG 4.38Å; Y84-L148 HydrophobicContact CE1-CD1 3.65Å; Y84-L240 HydrophobicContact CD1-CD2 4.1Å; Y84-L240 HydrophobicContact CD2-CD2 3.48Å; Y84-L240 VanDerWaalsContact CD2-CD2 3.48Å; Y84-L240 HydrophobicContact CE1-CD2 4.44Å; Y84-L240 HydrophobicContact CE2-CD2 3.84Å; Y84-L240 HydrophobicContact CG-CD2 3.61Å; Y84-D414 WeakPolarHBondContact OH-CB 3.43Å; Y84-D414 PolarHBondContact OH-OD2 3.45Å; Y84-H417 AromaticContact CE2-CD2 3.48Å; Y84-H417 VanDerWaalsContact CE2-CD2 3.48Å; Y84-H417 WeakPolarHBondContact CE2-CD2 2.97Å; Y84-H417 AromaticContact CE2-NE2 3.62Å; Y84-H417 AromaticContact CZ-CD2 3.96Å
85M91.5Very high89.5Confident0 Ų023.3 Ų23.30%013%0.133CC..Hα-helixtrans-67.4-40.3173.5-70.1-177.2-157.700112.2F8 L29 F63 Y76 I80 T81 K87 F88 I89F8-M85 HydrophobicContact CE1-CB 4.47Å; F8-M85 HydrophobicContact CE1-CG 4.42Å; F8-M85 HydrophobicContact CE1-SD 3.94Å; F8-M85 HydrophobicContact CZ-CG 4.35Å; F8-M85 HydrophobicContact CZ-SD 4.29Å; L29-M85 HydrophobicContact CD1-CB 3.41Å; L29-M85 VanDerWaalsContact CD1-CB 3.41Å; L29-M85 HydrophobicContact CD1-CG 4.13Å; L29-M85 HydrophobicContact CD1-SD 3.58Å; L29-M85 VanDerWaalsContact CD1-SD 3.58Å; L29-M85 HydrophobicContact CD2-CB 4.43Å; F63-M85 HydrophobicContact CD1-CE 4.17Å; F63-M85 HydrophobicContact CD1-SD 4.21Å; F63-M85 HydrophobicContact CD2-CE 3.77Å; F63-M85 HydrophobicContact CE1-CE 3.86Å; F63-M85 HydrophobicContact CE1-SD 4.16Å; F63-M85 HydrophobicContact CE2-CE 3.43Å; F63-M85 VanDerWaalsContact CE2-CE 3.43Å; F63-M85 HydrophobicContact CG-CE 4.13Å; F63-M85 HydrophobicContact CG-SD 4.48Å; F63-M85 HydrophobicContact CZ-CE 3.5Å; F63-M85 HydrophobicContact CZ-SD 4.39Å; Y76-M85 HydrophobicContact CD1-CG 4.24Å; Y76-M85 HydrophobicContact CE1-CE 4.17Å; Y76-M85 HydrophobicContact CE1-CG 3.6Å; Y76-M85 HydrophobicContact CE2-CG 4.36Å; Y76-M85 PolarHBondContact OH-N 3.22Å; I80-M85 HydrophobicContact CB-CE 4.32Å; I80-M85 HydrophobicContact CG2-CE 3.8Å; T81-M85 WeakPolarHBondContact O-CB 3.48Å; T81-M85 WeakPolarHBondContact O-CG 3.4Å; T81-M85 PolarHBondContact O-N 3.49Å; M85-K87 VanDerWaalsContact C-N 3.33Å; M85-K87 PolarHBondContact O-N 2.55Å; M85-F88 WeakPolarHBondContact O-CB 3.26Å; M85-F88 PolarHBondContact O-N 3.47Å; M85-I89 VanDerWaalsContact O-CG1 3.25Å; M85-I89 WeakPolarHBondContact O-CG1 3.02Å; M85-I89 PolarHBondContact O-N 3.05Å
86L89.6Confident89.6Confident8 Ų821.8 Ų21.84%0.04212%0.123CC..Hα-helixtrans-57.4-49.5173.4-177.5159.4000109.6L29 Y33 A82 D83 F88 I89 D90 L241 M373L29-L86 HydrophobicContact CD2-CB 3.79Å; Y33-L86 HydrophobicContact CE2-CB 4.33Å; Y33-L86 HydrophobicContact CE2-CD1 4.49Å; Y33-L86 HydrophobicContact CE2-CG 3.86Å; Y33-L86 WeakPolarHBondContact OH-CG 3.48Å; Y33-L86 PolarHBondContact OH-O 3.02Å; Y33-L86 VanDerWaalsContact OH-O 3.09Å; A82-L86 WeakPolarHBondContact O-CB 3.44Å; A82-L86 PolarHBondContact O-N 3.33Å; D83-L86 PolarHBondContact O-N 3.35Å; L86-F88 VanDerWaalsContact C-N 3.26Å; L86-F88 PolarHBondContact O-N 3.5Å; L86-I89 CarbonylContact O-C 2.81Å; L86-I89 WeakPolarHBondContact O-CA 3.33Å; L86-I89 PolarHBondContact O-N 3.45Å; L86-D90 PolarHBondContact O-N 3.49Å; L86-L241 HydrophobicContact CB-CD2 4.24Å; L86-L241 HydrophobicContact CD1-CD2 3.9Å; L86-L241 HydrophobicContact CD2-CD2 3.72Å; L86-L241 HydrophobicContact CG-CD2 4.15Å; L86-M373 HydrophobicContact CB-CE 4.24Å; L86-M373 HydrophobicContact CD1-CE 3.97Å; L86-M373 HydrophobicContact CD1-SD 3.26Å; L86-M373 WeakPolarHBondContact CD1-SD 3.34Å
87K89.4Confident89.8Confident39 Ų3925.1 Ų25.117%0.1714%0.144CC..Hα-helixtrans-63.5-33-179.7-159.272.7-144.6156.30112.8D83 Y84 M85 D90 H91 L148 L240D83-K87 WeakPolarHBondContact O-CB 3.49Å; D83-K87 PolarHBondContact O-N 3.47Å; Y84-K87 PolarHBondContact O-N 3.27Å; M85-K87 VanDerWaalsContact C-N 3.33Å; M85-K87 PolarHBondContact O-N 2.55Å; K87-D90 IonicContact NZ-OD2 3.32Å; K87-D90 PolarHBondContact NZ-OD2 2.89Å; K87-D90 WeakPolarHBondContact O-CB 3.42Å; K87-H91 WeakPolarHBondContact CE-NE2 3.47Å; K87-H91 PolarHBondContact O-CE1 2.88Å; K87-H91 PolarHBondContact O-N 2.92Å; K87-H91 PolarHBondContact O-ND1 3.3Å; K87-L148 HydrophobicContact CB-CD2 3.86Å; K87-L148 HydrophobicContact CG-CD2 4.1Å; K87-L240 HydrophobicContact CB-CD1 4.37Å; K87-L240 HydrophobicContact CB-CD2 4.07Å; K87-L240 HydrophobicContact CB-CG 4.17Å; K87-L240 HydrophobicContact CD-CD1 4.5Å; K87-L240 HydrophobicContact CG-CD1 4.06Å; K87-L240 HydrophobicContact CG-CG 4.34Å
88F93.7Very high90.3Very high0 Ų028.8 Ų28.80%015%0.145CC..Hα-helixtrans-66.4-43.7170.2173-107.6000112.3F8 A65 Y76 Y84 M85 L86 H91 L92 L143 P147F8-F88 HydrophobicContact CE2-CD1 4.1Å; F8-F88 AromaticContact CE2-CE1 3.83Å; F8-F88 HydrophobicContact CE2-CE1 3.83Å; A65-F88 HydrophobicContact CB-CE1 4.32Å; Y76-F88 HydrophobicContact CD2-CB 3.76Å; Y76-F88 AromaticContact CD2-CD1 3.49Å; Y76-F88 HydrophobicContact CD2-CD1 3.49Å; Y76-F88 VanDerWaalsContact CD2-CD1 3.49Å; Y76-F88 AromaticContact CD2-CD2 3.82Å; Y76-F88 HydrophobicContact CD2-CD2 3.82Å; Y76-F88 AromaticContact CD2-CE1 3.9Å; Y76-F88 HydrophobicContact CD2-CE1 3.9Å; Y76-F88 HydrophobicContact CD2-CE2 4.18Å; Y76-F88 AromaticContact CD2-CG 3.43Å; Y76-F88 HydrophobicContact CD2-CG 3.43Å; Y76-F88 VanDerWaalsContact CD2-CG 3.43Å; Y76-F88 HydrophobicContact CD2-CZ 4.22Å; Y76-F88 HydrophobicContact CE2-CB 3.66Å; Y76-F88 HydrophobicContact CE2-CD1 4.23Å; Y76-F88 HydrophobicContact CE2-CD2 4.42Å; Y76-F88 AromaticContact CE2-CG 3.89Å; Y76-F88 HydrophobicContact CE2-CG 3.89Å; Y76-F88 HydrophobicContact CG-CD1 4.18Å; Y76-F88 HydrophobicContact CG-CE1 4.26Å; Y76-F88 HydrophobicContact CG-CG 4.49Å; Y84-F88 PolarHBondContact O-N 2.59Å; M85-F88 WeakPolarHBondContact O-CB 3.26Å; M85-F88 PolarHBondContact O-N 3.47Å; L86-F88 VanDerWaalsContact C-N 3.26Å; L86-F88 PolarHBondContact O-N 3.5Å; F88-H91 CarbonylContact O-C 3.56Å; F88-H91 PolarHBondContact O-N 3.42Å; F88-H91 VanDerWaalsContact O-N 3.15Å; F88-L92 HydrophobicContact CD1-CD1 3.77Å; F88-L92 HydrophobicContact CD1-CG 4.35Å; F88-L92 HydrophobicContact CE1-CD1 3.39Å; F88-L92 HydrophobicContact CE1-CG 4.12Å; F88-L92 HydrophobicContact CE2-CD2 4.41Å; F88-L92 HydrophobicContact CE2-CG 4.45Å; F88-L92 HydrophobicContact CG-CD1 4.5Å; F88-L92 HydrophobicContact CZ-CD1 3.85Å; F88-L92 HydrophobicContact CZ-CD2 4.15Å; F88-L92 HydrophobicContact CZ-CG 4.18Å; F88-L92 WeakPolarHBondContact O-CG 3.43Å; F88-L92 PolarHBondContact O-N 3.19Å; F88-L143 HydrophobicContact CD2-CB 4.15Å; F88-L143 HydrophobicContact CE2-CB 3.74Å; F88-L143 WeakPolarHBondContact CE2-O 3.22Å; F88-P147 HydrophobicContact CB-CB 4.29Å; F88-P147 HydrophobicContact CD2-CB 3.58Å; F88-P147 HydrophobicContact CE2-CB 4.29Å; F88-P147 HydrophobicContact CG-CB 4.3Å
89I93.4Very high90.9Very high0 Ų028.4 Ų28.40%014%0.141CC..Hα-helixtrans-63.9-43.3177.4-67.1164.1000111.2M6 F8 L29 Y33 V37 F39 M85 L86 H91 L92 I93M6-I89 HydrophobicContact CE-CG2 3.76Å; F8-I89 HydrophobicContact CD1-CD1 4.01Å; F8-I89 HydrophobicContact CE1-CD1 4.22Å; F8-I89 HydrophobicContact CG-CD1 4.3Å; L29-I89 HydrophobicContact CD2-CD1 4.29Å; Y33-I89 HydrophobicContact CD1-CG2 3.94Å; Y33-I89 HydrophobicContact CD2-CB 4.47Å; Y33-I89 HydrophobicContact CD2-CD1 4.08Å; Y33-I89 HydrophobicContact CD2-CG2 3.87Å; Y33-I89 HydrophobicContact CE1-CG2 3.61Å; Y33-I89 HydrophobicContact CE2-CB 3.8Å; Y33-I89 HydrophobicContact CE2-CD1 3.98Å; Y33-I89 HydrophobicContact CE2-CG2 3.5Å; Y33-I89 HydrophobicContact CG-CG2 4.06Å; V37-I89 HydrophobicContact CG2-CG2 4.06Å; F39-I89 HydrophobicContact CE1-CD1 4.13Å; F39-I89 HydrophobicContact CZ-CD1 4Å; M85-I89 VanDerWaalsContact O-CG1 3.25Å; M85-I89 WeakPolarHBondContact O-CG1 3.02Å; M85-I89 PolarHBondContact O-N 3.05Å; L86-I89 CarbonylContact O-C 2.81Å; L86-I89 WeakPolarHBondContact O-CA 3.33Å; L86-I89 PolarHBondContact O-N 3.45Å; I89-H91 PolarHBondContact O-N 3.42Å; I89-L92 WeakPolarHBondContact O-CB 3.46Å; I89-L92 PolarHBondContact O-N 2.93Å; I89-I93 HydrophobicContact CG2-CD1 3.97Å; I89-I93 HydrophobicContact CG2-CG1 4.43Å; I89-I93 WeakPolarHBondContact O-CG1 3.48Å; I89-I93 PolarHBondContact O-N 3.12Å
90D91.3Very high91.5Very high34 Ų3431 Ų3118%0.18216%0.159CC..Hα-helixtrans-48.2-47.6169-89.50.1000111.6Y33 L86 K87 I93 N94Y33-D90 PolarHBondContact OH-N 3.02Å; Y33-D90 PolarHBondContact OH-OD1 3.31Å; L86-D90 PolarHBondContact O-N 3.49Å; K87-D90 IonicContact NZ-OD2 3.32Å; K87-D90 PolarHBondContact NZ-OD2 2.89Å; K87-D90 WeakPolarHBondContact O-CB 3.42Å; D90-I93 PolarHBondContact O-N 3.37Å; D90-N94 PolarHBondContact O-N 3.35Å
91H93.7Very high92.1Very high28 Ų2832.1 Ų32.113%0.1317%0.165CC..Hα-helixtrans-76.1-21-179.7-60.5146.1000113.6K87 F88 I89 N94 P95 L143 P147 L148 R149K87-H91 WeakPolarHBondContact CE-NE2 3.47Å; K87-H91 PolarHBondContact O-CE1 2.88Å; K87-H91 PolarHBondContact O-N 2.92Å; K87-H91 PolarHBondContact O-ND1 3.3Å; F88-H91 CarbonylContact O-C 3.56Å; F88-H91 PolarHBondContact O-N 3.42Å; F88-H91 VanDerWaalsContact O-N 3.15Å; I89-H91 PolarHBondContact O-N 3.42Å; H91-N94 CarbonylContact O-C 3.54Å; H91-P95 WeakPolarHBondContact O-CA 3.15Å; H91-P95 WeakPolarHBondContact O-CG 3.07Å; H91-P95 VanDerWaalsContact O-N 3.14Å; H91-L143 HydrophobicContact CB-CD1 3.94Å; H91-L143 HydrophobicContact CB-CD2 3.63Å; H91-L143 HydrophobicContact CB-CG 4.46Å; H91-L143 WeakPolarHBondContact O-CD1 3.32Å; H91-P147 PolarHBondContact ND1-O 3.08Å; H91-L148 PolarHBondContact CE1-O 3.22Å; H91-R149 HydrophobicContact CB-CG 4.24Å
92L94.3Very high92.6Very high2 Ų235.1 Ų35.11%0.0118%0.181CC..Hα-helixtrans-76.3-38.7170.3-69.9173.1000111.9M6 A65 L67 L74 F88 I89 P95 L140 L143M6-L92 HydrophobicContact CE-CB 4.01Å; M6-L92 HydrophobicContact SD-CB 3.47Å; M6-L92 WeakPolarHBondContact SD-CB 3.46Å; M6-L92 HydrophobicContact SD-CD1 3.77Å; M6-L92 HydrophobicContact SD-CG 4.24Å; A65-L92 HydrophobicContact CB-CD1 3.34Å; A65-L92 HydrophobicContact CB-CD2 4.47Å; L67-L92 HydrophobicContact CD1-CD2 4.38Å; L74-L92 HydrophobicContact CD1-CD2 3.55Å; F88-L92 HydrophobicContact CD1-CD1 3.77Å; F88-L92 HydrophobicContact CD1-CG 4.35Å; F88-L92 HydrophobicContact CE1-CD1 3.39Å; F88-L92 HydrophobicContact CE1-CG 4.12Å; F88-L92 HydrophobicContact CE2-CD2 4.41Å; F88-L92 HydrophobicContact CE2-CG 4.45Å; F88-L92 HydrophobicContact CG-CD1 4.5Å; F88-L92 HydrophobicContact CZ-CD1 3.85Å; F88-L92 HydrophobicContact CZ-CD2 4.15Å; F88-L92 HydrophobicContact CZ-CG 4.18Å; F88-L92 WeakPolarHBondContact O-CG 3.43Å; F88-L92 PolarHBondContact O-N 3.19Å; I89-L92 WeakPolarHBondContact O-CB 3.46Å; I89-L92 PolarHBondContact O-N 2.93Å; L92-P95 WeakPolarHBondContact O-CD 3.29Å; L92-P95 VanDerWaalsContact O-CG 3.3Å; L92-P95 WeakPolarHBondContact O-CG 3.25Å; L92-L140 HydrophobicContact CD2-CD2 3.7Å; L92-L143 HydrophobicContact CD2-CD1 3.83Å; L92-L143 HydrophobicContact CG-CD1 4.32Å
93I91.9Very high93Very high55 Ų5543.5 Ų43.528%0.28222%0.218SC..Hα-helixtrans-67.7-42174.2-61.8168.8000109.8M6 Y33 V37 I89 D90 P95M6-I93 HydrophobicContact CE-CD1 4.26Å; M6-I93 HydrophobicContact CE-CG1 3.59Å; Y33-I93 HydrophobicContact CD1-CD1 4.05Å; Y33-I93 HydrophobicContact CE1-CD1 3.67Å; V37-I93 HydrophobicContact CG2-CD1 4.35Å; I89-I93 HydrophobicContact CG2-CD1 3.97Å; I89-I93 HydrophobicContact CG2-CG1 4.43Å; I89-I93 WeakPolarHBondContact O-CG1 3.48Å; I89-I93 PolarHBondContact O-N 3.12Å; D90-I93 PolarHBondContact O-N 3.37Å; I93-P95 WeakPolarHBondContact O-CD 3.42Å
94N92.4Very high93.5Very high113 Ų11347 Ų4760%0.60423%0.234SC*.  trans-122.273.5180-63.3-75.4000112.6D90 H91 M96D90-N94 PolarHBondContact O-N 3.35Å; H91-N94 CarbonylContact O-C 3.54Å; N94-M96 PolarHBondContact O-N 2.97Å
95P94.8Very high93.7Very high8 Ų847 Ų475%0.05223%0.234CC..SBendtrans-68.6-20.7-175.5-22.836.3000114.7H91 L92 I93 Y136 A139 L140 R149H91-P95 WeakPolarHBondContact O-CA 3.15Å; H91-P95 WeakPolarHBondContact O-CG 3.07Å; H91-P95 VanDerWaalsContact O-N 3.14Å; L92-P95 WeakPolarHBondContact O-CD 3.29Å; L92-P95 VanDerWaalsContact O-CG 3.3Å; L92-P95 WeakPolarHBondContact O-CG 3.25Å; I93-P95 WeakPolarHBondContact O-CD 3.42Å; P95-Y136 HydrophobicContact CB-CD2 4.46Å; P95-Y136 HydrophobicContact CB-CE2 4.38Å; P95-Y136 HydrophobicContact CG-CD2 4.18Å; P95-Y136 HydrophobicContact CG-CE2 3.63Å; P95-A139 HydrophobicContact CB-CB 4.11Å; P95-L140 HydrophobicContact CB-CD2 4Å; P95-L140 HydrophobicContact CB-CG 4.15Å; P95-L140 HydrophobicContact CG-CD2 3.44Å; P95-L140 VanDerWaalsContact CG-CD2 3.44Å; P95-L140 HydrophobicContact CG-CG 3.88Å; P95-R149 PolarHBondContact O-NH2 2.91Å
96M95.4Very high93.6Very high25 Ų2549.9 Ų49.912%0.12326%0.258CS..SBendtrans-145.6141.6-174.2-47.9-174.7-64.400110.9N94 Y132 F135 Y136 A139 F154 I156N94-M96 PolarHBondContact O-N 2.97Å; M96-Y132 HydrophobicContact CE-CD2 4.33Å; M96-Y132 HydrophobicContact CE-CE2 3.75Å; M96-F135 HydrophobicContact CE-CD1 4.05Å; M96-F135 HydrophobicContact SD-CD1 3.23Å; M96-F135 WeakPolarHBondContact SD-CD1 3.46Å; M96-F135 HydrophobicContact SD-CE1 3.43Å; M96-F135 WeakPolarHBondContact SD-CE1 3.43Å; M96-F135 HydrophobicContact SD-CG 3.95Å; M96-F135 HydrophobicContact SD-CZ 4.29Å; M96-Y136 HydrophobicContact CE-CD2 4.17Å; M96-A139 HydrophobicContact CG-CB 3.55Å; M96-A139 HydrophobicContact SD-CB 3.88Å; M96-F154 CarbonylContact C-O 3.56Å; M96-F154 WeakPolarHBondContact CA-O 3.4Å; M96-F154 HydrophobicContact CB-CB 4.19Å; M96-F154 HydrophobicContact CG-CB 3.85Å; M96-I156 HydrophobicContact CE-CD1 4.34Å
97V95.4Very high93.4Very high82 Ų8253 Ų5350%0.49728%0.28SS..EExtended strand (participates in β ladder)trans-93.4129.6177.4-178.20000110.5L99 F154 G155 I156V97-L99 HydrophobicContact CG1-CD2 4.28Å; V97-L99 PolarHBondContact O-N 3.04Å; V97-F154 PolarHBondContact N-O 3.26Å; V97-G155 CarbonylContact O-C 3.27Å; V97-G155 VanDerWaalsContact O-CA 3.26Å; V97-G155 WeakPolarHBondContact O-CA 3.44Å; V97-I156 PolarHBondContact O-N 2.95Å
98R96.2Very high93.5Very high136 Ų13651.6 Ų51.651%0.51327%0.274SS..EExtended strand (participates in β ladder)trans-75.7124.4173.6-171.8178.1-178.3-163.1-0.5110.9I156 T158R98-I156 WeakPolarHBondContact CA-O 3.21Å; R98-I156 HydrophobicContact CB-CG2 4.34Å; R98-T158 PolarHBondContact NH2-OG1 2.82Å
99L96.8Very high93.2Very high2 Ų253.4 Ų53.41%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-102.8106.8178.1-54.4179.3000108.8V97 Q104 L105 F108 I117 I156 I157V97-L99 HydrophobicContact CG1-CD2 4.28Å; V97-L99 PolarHBondContact O-N 3.04Å; L99-Q104 HydrophobicContact CD2-CB 4.26Å; L99-L105 HydrophobicContact CD1-CD1 4.02Å; L99-F108 HydrophobicContact CD1-CB 4.17Å; L99-F108 HydrophobicContact CD1-CD1 3.9Å; L99-F108 HydrophobicContact CD1-CE1 4.48Å; L99-F108 HydrophobicContact CD1-CG 4Å; L99-F108 HydrophobicContact CD2-CB 3.73Å; L99-F108 HydrophobicContact CD2-CD2 4.21Å; L99-F108 HydrophobicContact CD2-CG 3.98Å; L99-I117 HydrophobicContact CD1-CD1 4.04Å; L99-I117 HydrophobicContact CD1-CG1 4.31Å; L99-I117 HydrophobicContact CD1-CG2 4.28Å; L99-I156 PolarHBondContact N-O 3.31Å; L99-I157 HydrophobicContact CB-CG1 3.88Å; L99-I157 HydrophobicContact CD1-CG1 4.29Å
100S95.3Very high92.6Very high59 Ų5954.4 Ų54.441%0.41329%0.291SS..  trans-109.9-11.4-171.868.90000114.8Q104S100-Q104 PolarHBondContact OG-OE1 3.44Å
101N96.5Very high92Very high64 Ų6455.2 Ų55.234%0.34230%0.295SS..SBendtrans-154.5167-179.957.771.9000111.6K103 Q104 L105N101-K103 VanDerWaalsContact C-N 3.28Å; N101-K103 PolarHBondContact O-N 3.44Å; N101-K103 WeakPolarHBondContact OD1-CB 3.42Å; N101-K103 PolarHBondContact OD1-N 2.86Å; N101-Q104 PolarHBondContact ND2-OE1 3.35Å; N101-Q104 PolarHBondContact O-N 2.79Å; N101-Q104 PolarHBondContact OD1-N 2.84Å; N101-L105 PolarHBondContact O-N 3.38Å
102D94.8Very high91.2Very high72 Ų7255.1 Ų55.139%0.38530%0.296SS..Hα-helixtrans-59-34.9-178.3-77.7-51.6000113.8L105 A106 L162 K165D102-L105 PolarHBondContact O-N 3.31Å; D102-A106 VanDerWaalsContact O-CB 3.26Å; D102-A106 WeakPolarHBondContact O-CB 3.44Å; D102-A106 PolarHBondContact O-N 3.12Å; D102-L162 WeakPolarHBondContact OD1-CD2 3.46Å; D102-K165 WeakPolarHBondContact OD1-CD 3.42Å; D102-K165 IonicContact OD1-NZ 3.33Å; D102-K165 PolarHBondContact OD1-NZ 2.81Å; D102-K165 IonicContact OD2-NZ 2.71Å; D102-K165 PolarHBondContact OD2-NZ 3.1Å
103K92.4Very high90.7Very high176 Ų17655.5 Ų55.577%0.76530%0.3SS*.Hα-helixtrans-66.6-42.9178.3-176.6-178.1178.2-177.20111.3N101 S107N101-K103 VanDerWaalsContact C-N 3.28Å; N101-K103 PolarHBondContact O-N 3.44Å; N101-K103 WeakPolarHBondContact OD1-CB 3.42Å; N101-K103 PolarHBondContact OD1-N 2.86Å; K103-S107 VanDerWaalsContact O-CB 3.26Å; K103-S107 WeakPolarHBondContact O-CB 3.46Å; K103-S107 PolarHBondContact O-N 2.88Å
104Q94.7Very high90.6Very high77 Ų7752.9 Ų52.936%0.3629%0.286SS..Hα-helixtrans-65.5-43.8174.1-74.9176.7-17.500111.6L99 S100 N101 S107 F108L99-Q104 HydrophobicContact CD2-CB 4.26Å; S100-Q104 PolarHBondContact OG-OE1 3.44Å; N101-Q104 PolarHBondContact ND2-OE1 3.35Å; N101-Q104 PolarHBondContact O-N 2.79Å; N101-Q104 PolarHBondContact OD1-N 2.84Å; Q104-S107 PolarHBondContact O-N 2.7Å; Q104-F108 WeakPolarHBondContact O-CB 3.41Å; Q104-F108 PolarHBondContact O-N 3.49Å
105L94.6Very high90.6Very high8 Ų847.8 Ų47.84%0.04226%0.259CS..Hα-helixtrans-61.5-47.3177.1176.456.9000111.8L99 N101 D102 F108 L109 I117 I157 L162 L166L99-L105 HydrophobicContact CD1-CD1 4.02Å; N101-L105 PolarHBondContact O-N 3.38Å; D102-L105 PolarHBondContact O-N 3.31Å; L105-F108 PolarHBondContact O-N 2.86Å; L105-L109 HydrophobicContact CD1-CD1 3.81Å; L105-L109 HydrophobicContact CD1-CG 4Å; L105-L109 HydrophobicContact CG-CD1 4.05Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 VanDerWaalsContact O-CG 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 3.03Å; L105-I117 HydrophobicContact CD1-CD1 3.73Å; L105-I157 HydrophobicContact CD1-CD1 4.38Å; L105-L162 HydrophobicContact CD2-CD2 4.41Å; L105-L166 HydrophobicContact CD1-CD1 3.96Å; L105-L166 HydrophobicContact CD1-CD2 4.2Å; L105-L166 HydrophobicContact CD2-CD2 4.22Å; L105-L166 HydrophobicContact CD2-CG 4.43Å
106A88.9Confident90.7Very high60 Ų6047.4 Ų47.450%0.49626%0.256SS..Hα-helixtrans-61.8-44.6176.100000112.1D102 F108 L109 S110D102-A106 VanDerWaalsContact O-CB 3.26Å; D102-A106 WeakPolarHBondContact O-CB 3.44Å; D102-A106 PolarHBondContact O-N 3.12Å; A106-F108 VanDerWaalsContact C-N 3.31Å; A106-F108 PolarHBondContact O-N 2.8Å; A106-L109 PolarHBondContact O-N 2.94Å; A106-S110 WeakPolarHBondContact O-CB 3.01Å; A106-S110 PolarHBondContact O-N 3.48Å; A106-S110 PolarHBondContact O-OG 3.31Å
107S85.8Confident90.8Very high72 Ų7246.2 Ų46.250%0.50325%0.25SS..Hα-helixtrans-64-33.9176.9-1700000113K103 Q104 S110K103-S107 VanDerWaalsContact O-CB 3.26Å; K103-S107 WeakPolarHBondContact O-CB 3.46Å; K103-S107 PolarHBondContact O-N 2.88Å; Q104-S107 PolarHBondContact O-N 2.7Å; S107-S110 WeakPolarHBondContact CA-OG 3.42Å; S107-S110 PolarHBondContact O-OG 2.8Å
108F90.9Very high90.9Very high10 Ų1042.4 Ų42.44%0.04423%0.228CC..Hα-helixtrans-72.7-44.9174.9-174-96.1000110.8L99 Q104 L105 A106 S110 L111 R115 I117 N153 F154 G155L99-F108 HydrophobicContact CD1-CB 4.17Å; L99-F108 HydrophobicContact CD1-CD1 3.9Å; L99-F108 HydrophobicContact CD1-CE1 4.48Å; L99-F108 HydrophobicContact CD1-CG 4Å; L99-F108 HydrophobicContact CD2-CB 3.73Å; L99-F108 HydrophobicContact CD2-CD2 4.21Å; L99-F108 HydrophobicContact CD2-CG 3.98Å; Q104-F108 WeakPolarHBondContact O-CB 3.41Å; Q104-F108 PolarHBondContact O-N 3.49Å; L105-F108 PolarHBondContact O-N 2.86Å; A106-F108 VanDerWaalsContact C-N 3.31Å; A106-F108 PolarHBondContact O-N 2.8Å; F108-S110 PolarHBondContact O-N 3.41Å; F108-L111 HydrophobicContact CD2-CD1 3.91Å; F108-L111 HydrophobicContact CE2-CD1 4.17Å; F108-L111 HydrophobicContact CG-CD1 4.43Å; F108-L111 WeakPolarHBondContact O-CB 3.37Å; F108-L111 WeakPolarHBondContact O-CD1 3.34Å; F108-L111 VanDerWaalsContact O-CG 3.24Å; F108-L111 WeakPolarHBondContact O-CG 3.37Å; F108-L111 PolarHBondContact O-N 3.23Å; F108-R115 HydrophobicContact CD1-CB 4.2Å; F108-R115 HydrophobicContact CD1-CG 4.13Å; F108-R115 HydrophobicContact CE1-CB 3.7Å; F108-R115 HydrophobicContact CE1-CG 3.98Å; F108-R115 HydrophobicContact CZ-CB 4.47Å; F108-R115 VanDerWaalsContact O-CG 3.31Å; F108-R115 WeakPolarHBondContact O-CG 3.27Å; F108-I117 HydrophobicContact CD1-CD1 3.89Å; F108-I117 HydrophobicContact CD1-CG1 3.97Å; F108-I117 HydrophobicContact CE1-CD1 4.04Å; F108-I117 HydrophobicContact CE1-CG1 3.6Å; F108-N153 HydrophobicContact CE2-CB 3.94Å; F108-N153 HydrophobicContact CZ-CB 3.97Å; F108-F154 VanDerWaalsContact CZ-C 3.44Å; F108-G155 VanDerWaalsContact CZ-N 3.25Å
109L88.6Confident90.9Very high39 Ų3936.5 Ų36.520%0.20421%0.205CC..Hα-helixtrans-67-20.9177.3-70.5176.3000113.8L105 A106 L111 R115 I117 L166 F177L105-L109 HydrophobicContact CD1-CD1 3.81Å; L105-L109 HydrophobicContact CD1-CG 4Å; L105-L109 HydrophobicContact CG-CD1 4.05Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 VanDerWaalsContact O-CG 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 3.03Å; A106-L109 PolarHBondContact O-N 2.94Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-R115 HydrophobicContact CD2-CB 4.46Å; L109-R115 PolarHBondContact O-NE 2.91Å; L109-R115 PolarHBondContact O-NH2 3.47Å; L109-I117 HydrophobicContact CD2-CD1 3.81Å; L109-I117 HydrophobicContact CG-CD1 4.37Å; L109-L166 HydrophobicContact CD1-CD2 4.17Å; L109-F177 HydrophobicContact CD1-CZ 4.44Å; L109-F177 HydrophobicContact CD2-CD1 4.06Å; L109-F177 HydrophobicContact CD2-CD2 3.59Å; L109-F177 HydrophobicContact CD2-CE1 3.95Å; L109-F177 HydrophobicContact CD2-CE2 3.51Å; L109-F177 HydrophobicContact CD2-CG 3.89Å; L109-F177 HydrophobicContact CD2-CZ 3.69Å
110S79.2Confident90.8Very high21 Ų2136.5 Ų36.515%0.14721%0.206CC..THydrogen-bonded Turntrans-77.3-13.4174.564.10000114.4A106 S107 F108 R256 W270A106-S110 WeakPolarHBondContact O-CB 3.01Å; A106-S110 PolarHBondContact O-N 3.48Å; A106-S110 PolarHBondContact O-OG 3.31Å; S107-S110 WeakPolarHBondContact CA-OG 3.42Å; S107-S110 PolarHBondContact O-OG 2.8Å; F108-S110 PolarHBondContact O-N 3.41Å; S110-R256 PolarHBondContact O-NH1 2.85Å; S110-W270 PolarHBondContact OG-NE1 3.18Å
111L80.4Confident90.7Very high50 Ų5036.5 Ų36.526%0.26221%0.206SC..  trans-56144.5179.5-66.4173.6000111.7F108 L109 R115 N153F108-L111 HydrophobicContact CD2-CD1 3.91Å; F108-L111 HydrophobicContact CE2-CD1 4.17Å; F108-L111 HydrophobicContact CG-CD1 4.43Å; F108-L111 WeakPolarHBondContact O-CB 3.37Å; F108-L111 WeakPolarHBondContact O-CD1 3.34Å; F108-L111 VanDerWaalsContact O-CG 3.24Å; F108-L111 WeakPolarHBondContact O-CG 3.37Å; F108-L111 PolarHBondContact O-N 3.23Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L111-R115 HydrophobicContact CB-CG 4.45Å; L111-N153 HydrophobicContact CD1-CB 4.08Å
112P76.8Confident90.2Very high26 Ų2635.2 Ų35.217%0.16920%0.202CC..SBendtrans-83.6-8.3-177.934.3-37.2000114.3P252 W270P112-P252 HydrophobicContact CB-CB 3.68Å; P112-P252 HydrophobicContact CG-CB 3.85Å; P112-W270 HydrophobicContact CG-CH2 4.38Å
113A82.8Confident89.5Confident10 Ų1034.9 Ų34.98%0.08320%0.196CC..SBendtrans-87.7168169.800000110.5R115 K150A113-R115 WeakPolarHBondContact O-CD 3.3Å; A113-K150 WeakPolarHBondContact CB-O 3.45Å
114D89.2Confident88.9Confident0 Ų031.5 Ų31.50%019%0.194CC..EExtended strand (participates in β ladder)trans-66.6145.1176.8-73.24.4000110.7V151 V152 N153 I176 F177 A178 G179 I206 G207 T208D114-V151 WeakPolarHBondContact CB-O 3.46Å; D114-V151 PolarHBondContact N-O 3.27Å; D114-V152 HydrophobicContact CB-CB 4.32Å; D114-V152 HydrophobicContact CB-CG2 4.25Å; D114-V152 CarbonylContact O-C 3.55Å; D114-V152 WeakPolarHBondContact O-CA 3.4Å; D114-N153 PolarHBondContact O-N 3.4Å; D114-I176 HydrophobicContact CB-CD1 4.44Å; D114-F177 WeakPolarHBondContact CA-O 3.29Å; D114-A178 WeakPolarHBondContact OD2-CA 3.21Å; D114-G179 WeakPolarHBondContact OD1-CA 3.17Å; D114-G179 PolarHBondContact OD1-N 2.82Å; D114-I206 VanDerWaalsContact OD2-CA 3.24Å; D114-I206 WeakPolarHBondContact OD2-CA 3.33Å; D114-G207 PolarHBondContact OD2-N 3.36Å; D114-T208 HydrophobicContact CB-CG2 4.32Å; D114-T208 WeakPolarHBondContact OD1-CG2 3.36Å
115R92.9Very high88.5Confident6 Ų636.5 Ų36.52%0.02321%0.209CC..EExtended strand (participates in β ladder)trans-116114.7-174.1-66.486.973.2-135.62.4110.1F108 L109 L111 A113 I176 F177 G179 G181F108-R115 HydrophobicContact CD1-CB 4.2Å; F108-R115 HydrophobicContact CD1-CG 4.13Å; F108-R115 HydrophobicContact CE1-CB 3.7Å; F108-R115 HydrophobicContact CE1-CG 3.98Å; F108-R115 HydrophobicContact CZ-CB 4.47Å; F108-R115 VanDerWaalsContact O-CG 3.31Å; F108-R115 WeakPolarHBondContact O-CG 3.27Å; L109-R115 HydrophobicContact CD2-CB 4.46Å; L109-R115 PolarHBondContact O-NE 2.91Å; L109-R115 PolarHBondContact O-NH2 3.47Å; L111-R115 HydrophobicContact CB-CG 4.45Å; A113-R115 WeakPolarHBondContact O-CD 3.3Å; R115-I176 CarbonylContact O-C 3.59Å; R115-I176 WeakPolarHBondContact O-CA 3.34Å; R115-F177 HydrophobicContact CB-CB 4.21Å; R115-F177 HydrophobicContact CB-CD2 4.43Å; R115-F177 VanDerWaalsContact CZ-CB 3.43Å; R115-F177 PolarHBondContact N-O 3.49Å; R115-F177 PolarHBondContact NH1-O 3.25Å; R115-F177 VanDerWaalsContact NH1-O 3.08Å; R115-F177 PolarHBondContact O-N 2.87Å; R115-G179 PolarHBondContact NH1-O 3.43Å; R115-G181 PolarHBondContact NH2-O 3.01Å; R115-G181 VanDerWaalsContact NH2-O 3.09Å
116V96.3Very high88.1Confident0 Ų041.9 Ų41.90%025%0.245CC..EExtended strand (participates in β ladder)trans-102.4126172.2-179.20000108.9F135 V152 N153 F154 G155 L174 C175 I176 L202V116-F135 HydrophobicContact CG1-CE2 3.69Å; V116-F135 HydrophobicContact CG1-CZ 4.02Å; V116-V152 HydrophobicContact CB-CG2 4.35Å; V116-V152 HydrophobicContact CG2-CG2 3.43Å; V116-V152 VanDerWaalsContact CG2-CG2 3.43Å; V116-N153 PolarHBondContact N-O 3.32Å; V116-F154 HydrophobicContact CB-CD1 4.15Å; V116-F154 HydrophobicContact CB-CE1 4.22Å; V116-F154 HydrophobicContact CB-CG 4.49Å; V116-F154 HydrophobicContact CG1-CD1 4.08Å; V116-F154 HydrophobicContact CG1-CE1 3.98Å; V116-F154 CarbonylContact O-C 3.58Å; V116-F154 WeakPolarHBondContact O-CA 3.3Å; V116-G155 PolarHBondContact O-N 3.36Å; V116-L174 HydrophobicContact CG1-CD1 4.3Å; V116-C175 CarbonylContact C-O 3.56Å; V116-C175 WeakPolarHBondContact CA-O 3.45Å; V116-I176 HydrophobicContact CG2-CB 4.23Å; V116-I176 HydrophobicContact CG2-CD1 4.29Å; V116-I176 HydrophobicContact CG2-CG1 3.92Å; V116-L202 HydrophobicContact CG1-CD2 4.32Å; V116-L202 HydrophobicContact CG2-CD1 4.21Å; V116-L202 HydrophobicContact CG2-CD2 3.43Å; V116-L202 VanDerWaalsContact CG2-CD2 3.43Å; V116-L202 HydrophobicContact CG2-CG 4.48Å
117I97.8Very high88.2Confident0 Ų042.4 Ų42.40%024%0.243CC..EExtended strand (participates in β ladder)trans-124.1121.6178.5-54.4178.4000109.6L99 L105 F108 L109 G155 I157 L166 M168 L174 C175 F177L99-I117 HydrophobicContact CD1-CD1 4.04Å; L99-I117 HydrophobicContact CD1-CG1 4.31Å; L99-I117 HydrophobicContact CD1-CG2 4.28Å; L105-I117 HydrophobicContact CD1-CD1 3.73Å; F108-I117 HydrophobicContact CD1-CD1 3.89Å; F108-I117 HydrophobicContact CD1-CG1 3.97Å; F108-I117 HydrophobicContact CE1-CD1 4.04Å; F108-I117 HydrophobicContact CE1-CG1 3.6Å; L109-I117 HydrophobicContact CD2-CD1 3.81Å; L109-I117 HydrophobicContact CG-CD1 4.37Å; I117-G155 VanDerWaalsContact CA-O 3.31Å; I117-G155 WeakPolarHBondContact CA-O 3.05Å; I117-I157 HydrophobicContact CG2-CD1 3.66Å; I117-I157 HydrophobicContact CG2-CG1 3.86Å; I117-L166 HydrophobicContact CB-CD1 4.25Å; I117-L166 HydrophobicContact CD1-CD1 3.68Å; I117-L166 HydrophobicContact CG2-CD1 3.87Å; I117-M168 HydrophobicContact CG2-CE 3.96Å; I117-L174 CarbonylContact O-C 3.48Å; I117-L174 WeakPolarHBondContact O-CA 3.24Å; I117-L174 WeakPolarHBondContact O-CB 3.2Å; I117-C175 PolarHBondContact N-O 3.45Å; I117-C175 PolarHBondContact O-N 3.18Å; I117-F177 HydrophobicContact CD1-CE2 4.14Å
118G97.3Very high88.4Confident2 Ų239.8 Ų39.82%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-98.9149.317000000112F135 G155 I156 I157G118-F135 VanDerWaalsContact N-CZ 3.32Å; G118-G155 PolarHBondContact N-O 3Å; G118-I156 WeakPolarHBondContact O-CA 3.37Å; G118-I157 PolarHBondContact O-N 3.2Å
119Y97Very high88.5Confident12 Ų1243.2 Ų43.25%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-118.6126.7173.2170.1-127.7000111.1I157 A163 M168 A170 G172 Q173Y119-I157 WeakPolarHBondContact CA-O 3.48Å; Y119-I157 HydrophobicContact CD2-CB 4.43Å; Y119-I157 HydrophobicContact CD2-CG2 4.06Å; Y119-I157 WeakPolarHBondContact CD2-O 3.29Å; Y119-A163 HydrophobicContact CD1-CB 3.71Å; Y119-A163 HydrophobicContact CD2-CB 3.42Å; Y119-A163 VanDerWaalsContact CD2-CB 3.42Å; Y119-A163 HydrophobicContact CE1-CB 3.96Å; Y119-A163 HydrophobicContact CE2-CB 3.68Å; Y119-A163 HydrophobicContact CG-CB 3.45Å; Y119-A163 VanDerWaalsContact CG-CB 3.45Å; Y119-M168 HydrophobicContact CD1-CB 4.21Å; Y119-A170 VanDerWaalsContact CD1-O 3.25Å; Y119-A170 WeakPolarHBondContact CD1-O 2.99Å; Y119-G172 PolarHBondContact O-N 3.15Å; Y119-Q173 PolarHBondContact N-O 3.15Å
120V95.5Very high88.7Confident3 Ų346.7 Ų46.72%0.01825%0.253CS..  trans-139.8119.9179-178.20000109S122 D128 I156 I157 T158 S171V120-S122 PolarHBondContact O-N 3.46Å; V120-D128 HydrophobicContact CG1-CB 3.66Å; V120-D128 WeakPolarHBondContact CG1-O 3.31Å; V120-I156 HydrophobicContact CB-CD1 4.41Å; V120-I156 HydrophobicContact CG2-CD1 4.1Å; V120-I157 PolarHBondContact N-O 3.3Å; V120-I157 VanDerWaalsContact N-O 3.08Å; V120-T158 WeakPolarHBondContact O-CA 3.5Å; V120-S171 WeakPolarHBondContact CA-OG 3.45Å
121S91.3Very high89.4Confident59 Ų5948.7 Ų48.741%0.41326%0.258SS..SBendtrans-71.1-27.3-174.131.10000115D128 S171S121-D128 WeakPolarHBondContact CB-OD2 3.46Å; S121-D128 PolarHBondContact OG-OD1 3.03Å; S121-D128 PolarHBondContact OG-OD2 2.69Å; S121-S171 PolarHBondContact N-OG 3.03Å; S121-S171 WeakPolarHBondContact OG-CB 3.42Å; S121-S171 PolarHBondContact OG-OG 3.46Å
122S87.1Confident90.1Very high36 Ų3649.3 Ų49.325%0.25226%0.257SS..  trans-153.8126.3-179.8-175.50000112.9V120 S124 D128V120-S122 PolarHBondContact O-N 3.46Å; S122-S124 VanDerWaalsContact C-N 3.3Å; S122-S124 PolarHBondContact O-N 2.84Å; S122-D128 PolarHBondContact N-OD2 3.18Å; S122-D128 WeakPolarHBondContact O-CB 3.21Å
123Y79.5Confident90.8Very high66 Ų6649.6 Ų49.626%0.25926%0.257SS..THydrogen-bonded Turntrans-65.1-28.3-178.1-63.8-63.2000115.1H129 Y132 I156 T158Y123-H129 WeakPolarHBondContact O-CB 3.45Å; Y123-H129 PolarHBondContact O-ND1 3.35Å; Y123-Y132 AromaticContact CD1-CD2 3.49Å; Y123-Y132 HydrophobicContact CD1-CD2 3.49Å; Y123-Y132 VanDerWaalsContact CD1-CD2 3.49Å; Y123-Y132 AromaticContact CD1-CE2 3.77Å; Y123-Y132 HydrophobicContact CD1-CE2 3.77Å; Y123-Y132 AromaticContact CD1-CG 3.91Å; Y123-Y132 HydrophobicContact CD1-CG 3.91Å; Y123-Y132 AromaticContact CE1-CD2 3.55Å; Y123-Y132 HydrophobicContact CE1-CD2 3.55Å; Y123-Y132 AromaticContact CE1-CE2 3.59Å; Y123-Y132 HydrophobicContact CE1-CE2 3.59Å; Y123-Y132 HydrophobicContact CE1-CG 4.42Å; Y123-I156 HydrophobicContact CE1-CD1 4Å; Y123-T158 HydrophobicContact CD2-CG2 4.46Å; Y123-T158 HydrophobicContact CE1-CG2 4.06Å; Y123-T158 HydrophobicContact CE2-CG2 3.6Å; Y123-T158 VanDerWaalsContact OH-CG2 3.24Å; Y123-T158 WeakPolarHBondContact OH-CG2 3.38Å
124S79.9Confident91.4Very high104 Ų10449.6 Ų49.673%0.72726%0.256SS*.THydrogen-bonded Turntrans-107.7-5.8-163.4-470000114.6S122S122-S124 VanDerWaalsContact C-N 3.3Å; S122-S124 PolarHBondContact O-N 2.84Å
125R86Confident91.7Very high182 Ų18249.7 Ų49.769%0.68726%0.257SS*.SBendtrans-108.8133.9-174.7-65.9-177178.9179.40.3110.3D128 H129R125-D128 WeakPolarHBondContact O-CA 3.49Å; R125-D128 WeakPolarHBondContact O-CB 3.31Å; R125-D128 PolarHBondContact O-N 2.7Å; R125-H129 PolarHBondContact O-N 2.88Å
126P87.1Confident91.7Very high121 Ų12151.1 Ų51.179%0.78626%0.262SS*.THydrogen-bonded Turntrans-63145.3164.6-20.833.5000110.7
127P89.9Confident91.6Very high72 Ų7253.7 Ų53.747%0.46827%0.272SS..THydrogen-bonded Turncis-81.2-9.7-3.734.9-36.5000114H129 F130 Y131P127-H129 VanDerWaalsContact C-N 3.28Å; P127-H129 PolarHBondContact O-N 3.39Å; P127-F130 WeakPolarHBondContact O-CB 3.49Å; P127-F130 PolarHBondContact O-N 3.47Å; P127-Y131 HydrophobicContact CB-CE2 3.97Å; P127-Y131 HydrophobicContact CG-CE2 3.88Å; P127-Y131 PolarHBondContact O-N 2.87Å
128D91.2Very high91.5Very high17 Ų1753.7 Ų53.79%0.09127%0.272CS..Hα-helixtrans-54.8-38.1-173.9-69.3-6.4000114V120 S121 S122 R125 F130 Y131 Y132 S171V120-D128 HydrophobicContact CG1-CB 3.66Å; V120-D128 WeakPolarHBondContact CG1-O 3.31Å; S121-D128 WeakPolarHBondContact CB-OD2 3.46Å; S121-D128 PolarHBondContact OG-OD1 3.03Å; S121-D128 PolarHBondContact OG-OD2 2.69Å; S122-D128 PolarHBondContact N-OD2 3.18Å; S122-D128 WeakPolarHBondContact O-CB 3.21Å; R125-D128 WeakPolarHBondContact O-CA 3.49Å; R125-D128 WeakPolarHBondContact O-CB 3.31Å; R125-D128 PolarHBondContact O-N 2.7Å; D128-F130 VanDerWaalsContact C-N 3.29Å; D128-F130 PolarHBondContact O-N 2.98Å; D128-Y131 PolarHBondContact O-N 3.2Å; D128-Y131 VanDerWaalsContact O-N 3.12Å; D128-Y132 PolarHBondContact O-N 2.86Å; D128-S171 WeakPolarHBondContact OD1-CB 3.36Å; D128-S171 PolarHBondContact OD1-OG 3.01Å
129H91.8Very high91.5Very high82 Ų8253.6 Ų53.638%0.3827%0.271SS..Hα-helixtrans-58.6-38.6175-172.867.5000112.9Y123 R125 P127 Y132 L133Y123-H129 WeakPolarHBondContact O-CB 3.45Å; Y123-H129 PolarHBondContact O-ND1 3.35Å; R125-H129 PolarHBondContact O-N 2.88Å; P127-H129 VanDerWaalsContact C-N 3.28Å; P127-H129 PolarHBondContact O-N 3.39Å; H129-Y132 PolarHBondContact O-N 3.05Å; H129-L133 WeakPolarHBondContact NE2-CD1 3.01Å; H129-L133 WeakPolarHBondContact O-CG 3.35Å; H129-L133 PolarHBondContact O-N 3.17Å
130F93.4Very high91.4Very high111 Ų11153 Ų5349%0.48727%0.269SS..Hα-helixtrans-67.5-39175.5165.8-92.9000111.5P127 D128 T134 F193P127-F130 WeakPolarHBondContact O-CB 3.49Å; P127-F130 PolarHBondContact O-N 3.47Å; D128-F130 VanDerWaalsContact C-N 3.29Å; D128-F130 PolarHBondContact O-N 2.98Å; F130-T134 VanDerWaalsContact O-CB 3.29Å; F130-T134 WeakPolarHBondContact O-CB 3.24Å; F130-T134 PolarHBondContact O-N 3.32Å; F130-T134 PolarHBondContact O-OG1 3.16Å; F130-F193 HydrophobicContact CE1-CD1 4.29Å
131Y94.9Very high91.3Very high64 Ų6454.7 Ų54.725%0.25128%0.276SS..Hα-helixtrans-65-42.1175.2-58.8-41.8000111.7P127 D128 T134 F135 G172 F193P127-Y131 HydrophobicContact CB-CE2 3.97Å; P127-Y131 HydrophobicContact CG-CE2 3.88Å; P127-Y131 PolarHBondContact O-N 2.87Å; D128-Y131 PolarHBondContact O-N 3.2Å; D128-Y131 VanDerWaalsContact O-N 3.12Å; Y131-T134 PolarHBondContact O-N 2.89Å; Y131-F135 WeakPolarHBondContact O-CB 3.46Å; Y131-F135 PolarHBondContact O-N 3.36Å; Y131-G172 VanDerWaalsContact CD2-CA 3.45Å; Y131-G172 VanDerWaalsContact CG-CA 3.4Å; Y131-F193 AromaticContact CD1-CD1 3.77Å; Y131-F193 HydrophobicContact CD1-CD1 3.77Å; Y131-F193 AromaticContact CD1-CE1 3.75Å; Y131-F193 HydrophobicContact CD1-CE1 3.75Å; Y131-F193 HydrophobicContact CD1-CZ 4.49Å; Y131-F193 HydrophobicContact CE1-CD1 4.37Å; Y131-F193 HydrophobicContact CG-CE1 4.39Å
132Y94.3Very high91.3Very high63 Ų6352 Ų5225%0.24726%0.257CS..Hα-helixtrans-57.6-54.8174.4175.4-103.3000112.1M96 Y123 D128 H129 T134 F135 Y136 I156M96-Y132 HydrophobicContact CE-CD2 4.33Å; M96-Y132 HydrophobicContact CE-CE2 3.75Å; Y123-Y132 AromaticContact CD1-CD2 3.49Å; Y123-Y132 HydrophobicContact CD1-CD2 3.49Å; Y123-Y132 VanDerWaalsContact CD1-CD2 3.49Å; Y123-Y132 AromaticContact CD1-CE2 3.77Å; Y123-Y132 HydrophobicContact CD1-CE2 3.77Å; Y123-Y132 AromaticContact CD1-CG 3.91Å; Y123-Y132 HydrophobicContact CD1-CG 3.91Å; Y123-Y132 AromaticContact CE1-CD2 3.55Å; Y123-Y132 HydrophobicContact CE1-CD2 3.55Å; Y123-Y132 AromaticContact CE1-CE2 3.59Å; Y123-Y132 HydrophobicContact CE1-CE2 3.59Å; Y123-Y132 HydrophobicContact CE1-CG 4.42Å; D128-Y132 PolarHBondContact O-N 2.86Å; H129-Y132 PolarHBondContact O-N 3.05Å; Y132-T134 VanDerWaalsContact C-N 3.32Å; Y132-T134 PolarHBondContact O-N 3Å; Y132-F135 PolarHBondContact O-N 2.82Å; Y132-Y136 WeakPolarHBondContact O-CB 3.35Å; Y132-Y136 PolarHBondContact O-N 2.82Å; Y132-I156 HydrophobicContact CD2-CD1 3.57Å; Y132-I156 HydrophobicContact CE2-CD1 3.95Å
133L92.7Very high91.5Very high32 Ų3250.2 Ų50.217%0.16825%0.245CC..Hα-helixtrans-61.3-40.8-179.8-71.4-179.9000112H129 F135 Y136 Y137H129-L133 WeakPolarHBondContact NE2-CD1 3.01Å; H129-L133 WeakPolarHBondContact O-CG 3.35Å; H129-L133 PolarHBondContact O-N 3.17Å; L133-F135 VanDerWaalsContact C-N 3.32Å; L133-F135 PolarHBondContact O-N 3.33Å; L133-Y136 PolarHBondContact O-N 3.43Å; L133-Y137 HydrophobicContact CB-CE2 4.17Å; L133-Y137 WeakPolarHBondContact O-CB 3.39Å; L133-Y137 VanDerWaalsContact O-CD2 3.28Å; L133-Y137 WeakPolarHBondContact O-CD2 3.31Å; L133-Y137 PolarHBondContact O-N 3.23Å
134T94.2Very high92Very high10 Ų1050 Ų506%0.06125%0.246CC..Hα-helixtrans-62.1-41.2178-610000111.8F130 Y131 Y132 A138 F193 I198F130-T134 VanDerWaalsContact O-CB 3.29Å; F130-T134 WeakPolarHBondContact O-CB 3.24Å; F130-T134 PolarHBondContact O-N 3.32Å; F130-T134 PolarHBondContact O-OG1 3.16Å; Y131-T134 PolarHBondContact O-N 2.89Å; Y132-T134 VanDerWaalsContact C-N 3.32Å; Y132-T134 PolarHBondContact O-N 3Å; T134-A138 PolarHBondContact O-N 3.34Å; T134-F193 HydrophobicContact CG2-CD1 3.66Å; T134-F193 HydrophobicContact CG2-CE1 3.71Å; T134-I198 HydrophobicContact CG2-CD1 3.85Å
135F94.8Very high92.2Very high2 Ų248.3 Ų48.31%0.00924%0.235CC..Hα-helixtrans-71.9-41.3177.7-171.9-126.4000112.2M96 V116 G118 Y131 Y132 L133 Y137 A138 A139 F154 G155 I156 L174M96-F135 HydrophobicContact CE-CD1 4.05Å; M96-F135 HydrophobicContact SD-CD1 3.23Å; M96-F135 WeakPolarHBondContact SD-CD1 3.46Å; M96-F135 HydrophobicContact SD-CE1 3.43Å; M96-F135 WeakPolarHBondContact SD-CE1 3.43Å; M96-F135 HydrophobicContact SD-CG 3.95Å; M96-F135 HydrophobicContact SD-CZ 4.29Å; V116-F135 HydrophobicContact CG1-CE2 3.69Å; V116-F135 HydrophobicContact CG1-CZ 4.02Å; G118-F135 VanDerWaalsContact N-CZ 3.32Å; Y131-F135 WeakPolarHBondContact O-CB 3.46Å; Y131-F135 PolarHBondContact O-N 3.36Å; Y132-F135 PolarHBondContact O-N 2.82Å; L133-F135 VanDerWaalsContact C-N 3.32Å; L133-F135 PolarHBondContact O-N 3.33Å; F135-Y137 PolarHBondContact O-N 2.93Å; F135-A138 PolarHBondContact O-N 3.42Å; F135-A139 WeakPolarHBondContact O-CB 3.27Å; F135-A139 PolarHBondContact O-N 2.98Å; F135-F154 HydrophobicContact CD2-CD1 4.42Å; F135-F154 HydrophobicContact CE1-CD1 4.49Å; F135-F154 AromaticContact CE2-CD1 3.62Å; F135-F154 HydrophobicContact CE2-CD1 3.62Å; F135-F154 AromaticContact CE2-CE1 3.9Å; F135-F154 HydrophobicContact CE2-CE1 3.9Å; F135-F154 AromaticContact CZ-CD1 3.66Å; F135-F154 HydrophobicContact CZ-CD1 3.66Å; F135-F154 HydrophobicContact CZ-CE1 4.39Å; F135-G155 VanDerWaalsContact CE1-O 3.27Å; F135-G155 WeakPolarHBondContact CE1-O 3.1Å; F135-G155 WeakPolarHBondContact CZ-O 3.38Å; F135-I156 HydrophobicContact CD1-CD1 4.25Å; F135-I156 HydrophobicContact CE1-CB 4.2Å; F135-L174 HydrophobicContact CD2-CD2 3.98Å; F135-L174 HydrophobicContact CE2-CB 4.43Å; F135-L174 HydrophobicContact CE2-CD2 4.23Å
136Y94.4Very high92.2Very high36 Ų3640.1 Ų40.114%0.14120%0.204CC..Hα-helixtrans-57.6-45.9172.4175.2-101.2000112V70 P95 M96 Y132 L133 A139 L140V70-Y136 HydrophobicContact CG2-CE1 4.3Å; P95-Y136 HydrophobicContact CB-CD2 4.46Å; P95-Y136 HydrophobicContact CB-CE2 4.38Å; P95-Y136 HydrophobicContact CG-CD2 4.18Å; P95-Y136 HydrophobicContact CG-CE2 3.63Å; M96-Y136 HydrophobicContact CE-CD2 4.17Å; Y132-Y136 WeakPolarHBondContact O-CB 3.35Å; Y132-Y136 PolarHBondContact O-N 2.82Å; L133-Y136 PolarHBondContact O-N 3.43Å; Y136-A139 WeakPolarHBondContact O-CB 3.49Å; Y136-A139 PolarHBondContact O-N 2.84Å; Y136-L140 HydrophobicContact CD1-CD1 3.94Å; Y136-L140 HydrophobicContact CE1-CD1 3.4Å; Y136-L140 HydrophobicContact CE1-CG 4.41Å; Y136-L140 HydrophobicContact CE2-CD1 4.33Å; Y136-L140 WeakPolarHBondContact O-CG 3.23Å; Y136-L140 PolarHBondContact O-N 2.98Å
137Y94.6Very high92.4Very high53 Ų5335 Ų3521%0.20817%0.171CC..Hα-helixtrans-67.4-34.4175.5-61.2-26000113.2Q69 V70 L133 F135 K141Q69-Y137 PolarHBondContact O-OH 3.01Å; V70-Y137 HydrophobicContact CG2-CD1 4.07Å; V70-Y137 HydrophobicContact CG2-CE1 3.89Å; L133-Y137 HydrophobicContact CB-CE2 4.17Å; L133-Y137 WeakPolarHBondContact O-CB 3.39Å; L133-Y137 VanDerWaalsContact O-CD2 3.28Å; L133-Y137 WeakPolarHBondContact O-CD2 3.31Å; L133-Y137 PolarHBondContact O-N 3.23Å; F135-Y137 PolarHBondContact O-N 2.93Å; Y137-K141 WeakPolarHBondContact O-CB 3.35Å; Y137-K141 WeakPolarHBondContact O-CG 3.29Å; Y137-K141 PolarHBondContact O-N 3.35Å
138A95Very high92.2Very high0 Ų032.3 Ų32.30%015%0.152CC..Hα-helixtrans-65-44.4172.900000111.1T134 F135 L140 K141 I142 I198 V199T134-A138 PolarHBondContact O-N 3.34Å; F135-A138 PolarHBondContact O-N 3.42Å; A138-L140 PolarHBondContact O-N 2.78Å; A138-K141 PolarHBondContact O-N 3.28Å; A138-I142 PolarHBondContact O-N 3.49Å; A138-I198 HydrophobicContact CB-CB 4.15Å; A138-I198 HydrophobicContact CB-CG2 3.84Å; A138-V199 HydrophobicContact CB-CG2 4.22Å
139A96.2Very high92.1Very high0 Ų032 Ų320%015%0.15CC..Hα-helixtrans-58.9-46175.800000111.7P95 M96 F135 Y136 R149 F154P95-A139 HydrophobicContact CB-CB 4.11Å; M96-A139 HydrophobicContact CG-CB 3.55Å; M96-A139 HydrophobicContact SD-CB 3.88Å; F135-A139 WeakPolarHBondContact O-CB 3.27Å; F135-A139 PolarHBondContact O-N 2.98Å; Y136-A139 WeakPolarHBondContact O-CB 3.49Å; Y136-A139 PolarHBondContact O-N 2.84Å; A139-R149 VanDerWaalsContact C-NH2 3.34Å; A139-R149 VanDerWaalsContact O-CZ 3.3Å; A139-R149 PolarHBondContact O-NH1 3.46Å; A139-R149 PolarHBondContact O-NH2 2.95Å; A139-F154 HydrophobicContact CB-CB 4.11Å; A139-F154 HydrophobicContact CB-CD1 3.55Å; A139-F154 HydrophobicContact CB-CD2 4.09Å; A139-F154 HydrophobicContact CB-CE1 3.91Å; A139-F154 HydrophobicContact CB-CE2 4.4Å; A139-F154 HydrophobicContact CB-CG 3.65Å; A139-F154 HydrophobicContact CB-CZ 4.32Å
140L95.6Very high91.7Very high1 Ų131.4 Ų31.41%0.00515%0.146CC..Hα-helixtrans-64.7-46.2177-79176.1000113.1L67 V70 L74 L92 P95 Y136 A138 I142 L143L67-L140 HydrophobicContact CD2-CD1 4.05Å; L67-L140 HydrophobicContact CD2-CD2 4.21Å; V70-L140 HydrophobicContact CG2-CD1 3.61Å; L74-L140 HydrophobicContact CD1-CB 3.92Å; L74-L140 HydrophobicContact CD1-CD1 4.42Å; L74-L140 HydrophobicContact CD1-CD2 3.95Å; L74-L140 HydrophobicContact CD1-CG 4.34Å; L92-L140 HydrophobicContact CD2-CD2 3.7Å; P95-L140 HydrophobicContact CB-CD2 4Å; P95-L140 HydrophobicContact CB-CG 4.15Å; P95-L140 HydrophobicContact CG-CD2 3.44Å; P95-L140 VanDerWaalsContact CG-CD2 3.44Å; P95-L140 HydrophobicContact CG-CG 3.88Å; Y136-L140 HydrophobicContact CD1-CD1 3.94Å; Y136-L140 HydrophobicContact CE1-CD1 3.4Å; Y136-L140 HydrophobicContact CE1-CG 4.41Å; Y136-L140 HydrophobicContact CE2-CD1 4.33Å; Y136-L140 WeakPolarHBondContact O-CG 3.23Å; Y136-L140 PolarHBondContact O-N 2.98Å; A138-L140 PolarHBondContact O-N 2.78Å; L140-I142 PolarHBondContact O-N 3.34Å; L140-L143 HydrophobicContact CD2-CD1 4.14Å; L140-L143 WeakPolarHBondContact O-CB 3.18Å; L140-L143 PolarHBondContact O-N 2.95Å
141K93.1Very high91.3Very high37 Ų3727.8 Ų27.816%0.16113%0.134CC..Hα-helixtrans-57.9-36.7-178.7-83.3179.9175.4-178.50112.9I72 Y137 A138 L143 Q144 S195 D196 V199I72-K141 HydrophobicContact CD1-CD 4.47Å; I72-K141 HydrophobicContact CD1-CG 4.19Å; Y137-K141 WeakPolarHBondContact O-CB 3.35Å; Y137-K141 WeakPolarHBondContact O-CG 3.29Å; Y137-K141 PolarHBondContact O-N 3.35Å; A138-K141 PolarHBondContact O-N 3.28Å; K141-L143 VanDerWaalsContact C-N 3.26Å; K141-L143 PolarHBondContact O-N 3.3Å; K141-Q144 PolarHBondContact O-N 3.26Å; K141-Q144 PolarHBondContact O-NE2 3.03Å; K141-S195 PolarHBondContact NZ-OG 3.42Å; K141-D196 IonicContact NZ-OD1 2.71Å; K141-D196 PolarHBondContact NZ-OD1 3.5Å; K141-D196 IonicContact NZ-OD2 3.34Å; K141-D196 PolarHBondContact NZ-OD2 3.3Å; K141-V199 HydrophobicContact CB-CG2 3.96Å
142I91.7Very high91.1Very high2 Ų224.8 Ų24.81%0.0112%0.122CC..Hα-helixtrans-64.1-26.1176.1-70.6-151.4000113A138 L140 Q144 S145 D146 V152 F154 V199 L202A138-I142 PolarHBondContact O-N 3.49Å; L140-I142 PolarHBondContact O-N 3.34Å; I142-Q144 PolarHBondContact O-N 3.27Å; I142-Q144 VanDerWaalsContact O-N 3.08Å; I142-S145 PolarHBondContact O-N 2.72Å; I142-S145 PolarHBondContact O-OG 3.39Å; I142-S145 VanDerWaalsContact O-OG 3.09Å; I142-D146 HydrophobicContact CG2-CB 4.05Å; I142-D146 PolarHBondContact O-N 3.42Å; I142-V152 HydrophobicContact CD1-CG1 4.02Å; I142-V152 HydrophobicContact CG2-CG1 3.6Å; I142-F154 HydrophobicContact CB-CE2 4.24Å; I142-F154 HydrophobicContact CB-CZ 4.48Å; I142-F154 HydrophobicContact CD1-CE2 4.09Å; I142-F154 HydrophobicContact CD1-CZ 3.83Å; I142-F154 HydrophobicContact CG1-CE2 4.41Å; I142-F154 HydrophobicContact CG1-CZ 4.2Å; I142-F154 HydrophobicContact CG2-CE2 4.31Å; I142-V199 HydrophobicContact CG1-CG1 4.3Å; I142-V199 HydrophobicContact CG1-CG2 3.97Å; I142-L202 HydrophobicContact CD1-CB 4.16Å; I142-L202 HydrophobicContact CD1-CD1 3.68Å
143L92.1Very high91Very high0 Ų023.5 Ų23.50%012%0.119CC..THydrogen-bonded Turntrans-64.7-16179.4-65.1170.7000113.4F88 H91 L92 L140 K141 S145 D146 P147 R149F88-L143 HydrophobicContact CD2-CB 4.15Å; F88-L143 HydrophobicContact CE2-CB 3.74Å; F88-L143 WeakPolarHBondContact CE2-O 3.22Å; H91-L143 HydrophobicContact CB-CD1 3.94Å; H91-L143 HydrophobicContact CB-CD2 3.63Å; H91-L143 HydrophobicContact CB-CG 4.46Å; H91-L143 WeakPolarHBondContact O-CD1 3.32Å; L92-L143 HydrophobicContact CD2-CD1 3.83Å; L92-L143 HydrophobicContact CG-CD1 4.32Å; L140-L143 HydrophobicContact CD2-CD1 4.14Å; L140-L143 WeakPolarHBondContact O-CB 3.18Å; L140-L143 PolarHBondContact O-N 2.95Å; K141-L143 VanDerWaalsContact C-N 3.26Å; K141-L143 PolarHBondContact O-N 3.3Å; L143-S145 VanDerWaalsContact C-N 3.31Å; L143-D146 WeakPolarHBondContact CD2-O 3.32Å; L143-P147 WeakPolarHBondContact O-CA 3.34Å; L143-P147 WeakPolarHBondContact O-CB 3.42Å; L143-R149 HydrophobicContact CD2-CG 3.91Å; L143-R149 VanDerWaalsContact CD2-CZ 3.43Å
144Q88.4Confident91.2Very high61 Ų6122.1 Ų22.129%0.28511%0.112SC..THydrogen-bonded Turntrans-70.9-27.4173-57.8-178.2107.500112.3L74 V75 A77 K141 I142L74-Q144 HydrophobicContact CB-CG 4.18Å; L74-Q144 HydrophobicContact CD2-CG 4.11Å; V75-Q144 WeakPolarHBondContact O-CG 3.27Å; A77-Q144 WeakPolarHBondContact CB-O 3.05Å; K141-Q144 PolarHBondContact O-N 3.26Å; K141-Q144 PolarHBondContact O-NE2 3.03Å; I142-Q144 PolarHBondContact O-N 3.27Å; I142-Q144 VanDerWaalsContact O-N 3.08Å
145S84.7Confident91.4Very high69 Ų6921.6 Ų21.648%0.48311%0.109SC..THydrogen-bonded Turntrans-106.5-26.8176.758.70000113.7I142 L143 F203I142-S145 PolarHBondContact O-N 2.72Å; I142-S145 PolarHBondContact O-OG 3.39Å; I142-S145 VanDerWaalsContact O-OG 3.09Å; L143-S145 VanDerWaalsContact C-N 3.31Å; S145-F203 WeakPolarHBondContact OG-CZ 3.23Å
146D86.9Confident91.5Very high10 Ų1021.8 Ų21.85%0.05311%0.11CC..  trans-128.168.4175.5-179.121.3000110.6I142 L143 L148 R149 K150 V151 V152I142-D146 HydrophobicContact CG2-CB 4.05Å; I142-D146 PolarHBondContact O-N 3.42Å; L143-D146 WeakPolarHBondContact CD2-O 3.32Å; D146-L148 PolarHBondContact O-N 2.66Å; D146-L148 VanDerWaalsContact O-N 3.13Å; D146-R149 PolarHBondContact O-N 3.1Å; D146-R149 PolarHBondContact OD1-N 3.07Å; D146-R149 VanDerWaalsContact OD1-N 3.14Å; D146-R149 WeakPolarHBondContact OD2-CA 3.34Å; D146-K150 PolarHBondContact OD1-N 3.37Å; D146-K150 PolarHBondContact OD2-N 2.94Å; D146-K150 VanDerWaalsContact OD2-N 3.15Å; D146-V151 HydrophobicContact CB-CB 4.2Å; D146-V151 HydrophobicContact CB-CG2 4.31Å; D146-V151 PolarHBondContact OD1-N 2.9Å; D146-V151 WeakPolarHBondContact OD2-CA 3.49Å; D146-V151 WeakPolarHBondContact OD2-CB 3.28Å; D146-V151 PolarHBondContact OD2-N 2.86Å; D146-V152 PolarHBondContact OD2-N 3.01Å
147P89.8Confident91.6Very high12 Ų1220 Ų208%0.07810%0.103CC..THydrogen-bonded Turntrans-62.7-21.4-175.823.2-33.5000113.6Y76 F88 H91 L143Y76-P147 HydrophobicContact CD2-CB 4.26Å; Y76-P147 HydrophobicContact CE2-CB 4.16Å; F88-P147 HydrophobicContact CB-CB 4.29Å; F88-P147 HydrophobicContact CD2-CB 3.58Å; F88-P147 HydrophobicContact CE2-CB 4.29Å; F88-P147 HydrophobicContact CG-CB 4.3Å; H91-P147 PolarHBondContact ND1-O 3.08Å; L143-P147 WeakPolarHBondContact O-CA 3.34Å; L143-P147 WeakPolarHBondContact O-CB 3.42Å
148L87.5Confident91.6Very high16 Ų1618.9 Ų18.98%0.08410%0.101CC..THydrogen-bonded Turntrans-101.95.6-176.3-57-174.5000114.1Y84 K87 H91 D146 K150 W238 L240Y84-L148 HydrophobicContact CD1-CD1 3.73Å; Y84-L148 HydrophobicContact CD1-CD2 4.18Å; Y84-L148 HydrophobicContact CD1-CG 4.38Å; Y84-L148 HydrophobicContact CE1-CD1 3.65Å; K87-L148 HydrophobicContact CB-CD2 3.86Å; K87-L148 HydrophobicContact CG-CD2 4.1Å; H91-L148 PolarHBondContact CE1-O 3.22Å; D146-L148 PolarHBondContact O-N 2.66Å; D146-L148 VanDerWaalsContact O-N 3.13Å; L148-K150 HydrophobicContact CB-CG 3.8Å; L148-K150 WeakPolarHBondContact O-CG 3.29Å; L148-K150 PolarHBondContact O-N 2.88Å; L148-W238 HydrophobicContact CD1-CH2 3.78Å; L148-W238 HydrophobicContact CD1-CZ3 3.58Å; L148-L240 HydrophobicContact CD1-CD1 4.33Å; L148-L240 HydrophobicContact CD1-CD2 4.32Å; L148-L240 HydrophobicContact CD2-CD1 4.35Å; L148-L240 HydrophobicContact CD2-CD2 3.92Å
149R88.7Confident91.6Very high10 Ų1022 Ų224%0.03812%0.118CC..SBendtrans52.839-178-71.1-71.1-162.6-129.9-2.1113.1H91 P95 A139 L143 D146 V152 N153H91-R149 HydrophobicContact CB-CG 4.24Å; P95-R149 PolarHBondContact O-NH2 2.91Å; A139-R149 VanDerWaalsContact C-NH2 3.34Å; A139-R149 VanDerWaalsContact O-CZ 3.3Å; A139-R149 PolarHBondContact O-NH1 3.46Å; A139-R149 PolarHBondContact O-NH2 2.95Å; L143-R149 HydrophobicContact CD2-CG 3.91Å; L143-R149 VanDerWaalsContact CD2-CZ 3.43Å; D146-R149 PolarHBondContact O-N 3.1Å; D146-R149 PolarHBondContact OD1-N 3.07Å; D146-R149 VanDerWaalsContact OD1-N 3.14Å; D146-R149 WeakPolarHBondContact OD2-CA 3.34Å; R149-V152 WeakPolarHBondContact CD-O 3.43Å; R149-N153 PolarHBondContact O-ND2 2.94Å
150K83.9Confident91.5Very high70 Ų7029.2 Ų29.230%0.30415%0.149SC..SBendtrans-100.7-19.1-177.6-61.1-51.5-177.1-175.10114.1A113 D146 L148 W212 W238A113-K150 WeakPolarHBondContact CB-O 3.45Å; D146-K150 PolarHBondContact OD1-N 3.37Å; D146-K150 PolarHBondContact OD2-N 2.94Å; D146-K150 VanDerWaalsContact OD2-N 3.15Å; L148-K150 HydrophobicContact CB-CG 3.8Å; L148-K150 WeakPolarHBondContact O-CG 3.29Å; L148-K150 PolarHBondContact O-N 2.88Å; K150-W212 HydrophobicContact CB-CD2 4.16Å; K150-W212 HydrophobicContact CB-CG 3.79Å; K150-W212 HydrophobicContact CD-CZ2 4.45Å; K150-W212 HydrophobicContact CG-CD2 4.16Å; K150-W212 HydrophobicContact CG-CG 4.25Å; K150-W212 HydrophobicContact CG-CZ2 4.48Å; K150-W238 HydrophobicContact CD-CH2 4.39Å; K150-W238 VanDerWaalsContact CE-CH2 3.44Å; K150-W238 VanDerWaalsContact CE-CZ2 3.41Å; K150-W238 HydrophobicContact CG-CH2 4.22Å
151V84.3Confident91.5Very high36 Ų3635.9 Ų35.922%0.21818%0.175CC..SBendtrans-86.3-49.6169.9-179.70000109.3D114 D146 I206 T208D114-V151 WeakPolarHBondContact CB-O 3.46Å; D114-V151 PolarHBondContact N-O 3.27Å; D146-V151 HydrophobicContact CB-CB 4.2Å; D146-V151 HydrophobicContact CB-CG2 4.31Å; D146-V151 PolarHBondContact OD1-N 2.9Å; D146-V151 WeakPolarHBondContact OD2-CA 3.49Å; D146-V151 WeakPolarHBondContact OD2-CB 3.28Å; D146-V151 PolarHBondContact OD2-N 2.86Å; V151-I206 HydrophobicContact CG1-CD1 4.05Å; V151-I206 HydrophobicContact CG1-CG1 4.41Å; V151-I206 HydrophobicContact CG1-CG2 3.5Å; V151-I206 VanDerWaalsContact CG1-CG2 3.5Å; V151-T208 HydrophobicContact CG1-CG2 4.24Å; V151-T208 VanDerWaalsContact O-CG2 3.3Å; V151-T208 WeakPolarHBondContact O-CG2 3.49Å
152V89.7Confident91.7Very high1 Ų134.3 Ų34.31%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-145.6133.6-172.762.30000113.5D114 V116 I142 D146 R149 F154 I206D114-V152 HydrophobicContact CB-CB 4.32Å; D114-V152 HydrophobicContact CB-CG2 4.25Å; D114-V152 CarbonylContact O-C 3.55Å; D114-V152 WeakPolarHBondContact O-CA 3.4Å; V116-V152 HydrophobicContact CB-CG2 4.35Å; V116-V152 HydrophobicContact CG2-CG2 3.43Å; V116-V152 VanDerWaalsContact CG2-CG2 3.43Å; I142-V152 HydrophobicContact CD1-CG1 4.02Å; I142-V152 HydrophobicContact CG2-CG1 3.6Å; D146-V152 PolarHBondContact OD2-N 3.01Å; R149-V152 WeakPolarHBondContact CD-O 3.43Å; V152-F154 HydrophobicContact CG1-CE2 4.05Å; V152-F154 HydrophobicContact CG2-CE2 4.24Å; V152-I206 HydrophobicContact CB-CD1 4.41Å; V152-I206 HydrophobicContact CG1-CD1 4.25Å
153N92.8Very high91.9Very high35 Ų3534.2 Ų34.219%0.18717%0.168CC..EExtended strand (participates in β ladder)trans-107.1145.8176-79.1-95.4000111F108 L111 D114 V116 R149F108-N153 HydrophobicContact CE2-CB 3.94Å; F108-N153 HydrophobicContact CZ-CB 3.97Å; L111-N153 HydrophobicContact CD1-CB 4.08Å; D114-N153 PolarHBondContact O-N 3.4Å; V116-N153 PolarHBondContact N-O 3.32Å; R149-N153 PolarHBondContact O-ND2 2.94Å
154F97.3Very high92Very high3 Ų337 Ų371%0.01319%0.188CC..EExtended strand (participates in β ladder)trans-112.9127.2-178.3-76.6-103.6000111.2M96 V97 F108 V116 F135 A139 I142 V152 L202M96-F154 CarbonylContact C-O 3.56Å; M96-F154 WeakPolarHBondContact CA-O 3.4Å; M96-F154 HydrophobicContact CB-CB 4.19Å; M96-F154 HydrophobicContact CG-CB 3.85Å; V97-F154 PolarHBondContact N-O 3.26Å; F108-F154 VanDerWaalsContact CZ-C 3.44Å; V116-F154 HydrophobicContact CB-CD1 4.15Å; V116-F154 HydrophobicContact CB-CE1 4.22Å; V116-F154 HydrophobicContact CB-CG 4.49Å; V116-F154 HydrophobicContact CG1-CD1 4.08Å; V116-F154 HydrophobicContact CG1-CE1 3.98Å; V116-F154 CarbonylContact O-C 3.58Å; V116-F154 WeakPolarHBondContact O-CA 3.3Å; F135-F154 HydrophobicContact CD2-CD1 4.42Å; F135-F154 HydrophobicContact CE1-CD1 4.49Å; F135-F154 AromaticContact CE2-CD1 3.62Å; F135-F154 HydrophobicContact CE2-CD1 3.62Å; F135-F154 AromaticContact CE2-CE1 3.9Å; F135-F154 HydrophobicContact CE2-CE1 3.9Å; F135-F154 AromaticContact CZ-CD1 3.66Å; F135-F154 HydrophobicContact CZ-CD1 3.66Å; F135-F154 HydrophobicContact CZ-CE1 4.39Å; A139-F154 HydrophobicContact CB-CB 4.11Å; A139-F154 HydrophobicContact CB-CD1 3.55Å; A139-F154 HydrophobicContact CB-CD2 4.09Å; A139-F154 HydrophobicContact CB-CE1 3.91Å; A139-F154 HydrophobicContact CB-CE2 4.4Å; A139-F154 HydrophobicContact CB-CG 3.65Å; A139-F154 HydrophobicContact CB-CZ 4.32Å; I142-F154 HydrophobicContact CB-CE2 4.24Å; I142-F154 HydrophobicContact CB-CZ 4.48Å; I142-F154 HydrophobicContact CD1-CE2 4.09Å; I142-F154 HydrophobicContact CD1-CZ 3.83Å; I142-F154 HydrophobicContact CG1-CE2 4.41Å; I142-F154 HydrophobicContact CG1-CZ 4.2Å; I142-F154 HydrophobicContact CG2-CE2 4.31Å; V152-F154 HydrophobicContact CG1-CE2 4.05Å; V152-F154 HydrophobicContact CG2-CE2 4.24Å; F154-L202 HydrophobicContact CE1-CD1 4.12Å; F154-L202 HydrophobicContact CZ-CD1 3.73Å
155G97.6Very high92.3Very high0 Ų038.4 Ų38.40%019%0.193CC..EExtended strand (participates in β ladder)trans-123.4148.4175.700000110.9V97 F108 V116 I117 G118 F135V97-G155 CarbonylContact O-C 3.27Å; V97-G155 VanDerWaalsContact O-CA 3.26Å; V97-G155 WeakPolarHBondContact O-CA 3.44Å; F108-G155 VanDerWaalsContact CZ-N 3.25Å; V116-G155 PolarHBondContact O-N 3.36Å; I117-G155 VanDerWaalsContact CA-O 3.31Å; I117-G155 WeakPolarHBondContact CA-O 3.05Å; G118-G155 PolarHBondContact N-O 3Å; F135-G155 VanDerWaalsContact CE1-O 3.27Å; F135-G155 WeakPolarHBondContact CE1-O 3.1Å; F135-G155 WeakPolarHBondContact CZ-O 3.38Å
156I97.3Very high92.7Very high5 Ų535.6 Ų35.63%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-127.9129.1176.1-171.7164.1000111.6M96 V97 R98 L99 G118 V120 Y123 Y132 F135M96-I156 HydrophobicContact CE-CD1 4.34Å; V97-I156 PolarHBondContact O-N 2.95Å; R98-I156 WeakPolarHBondContact CA-O 3.21Å; R98-I156 HydrophobicContact CB-CG2 4.34Å; L99-I156 PolarHBondContact N-O 3.31Å; G118-I156 WeakPolarHBondContact O-CA 3.37Å; V120-I156 HydrophobicContact CB-CD1 4.41Å; V120-I156 HydrophobicContact CG2-CD1 4.1Å; Y123-I156 HydrophobicContact CE1-CD1 4Å; Y132-I156 HydrophobicContact CD2-CD1 3.57Å; Y132-I156 HydrophobicContact CE2-CD1 3.95Å; F135-I156 HydrophobicContact CD1-CD1 4.25Å; F135-I156 HydrophobicContact CE1-CB 4.2Å
157I97.3Very high93.1Very high0 Ų040.6 Ų40.60%020%0.199CC..EExtended strand (participates in β ladder)trans-102.7134.8174.5-67.6173000108.9L99 L105 I117 G118 Y119 V120 D159 L162 A163 L166 M168L99-I157 HydrophobicContact CB-CG1 3.88Å; L99-I157 HydrophobicContact CD1-CG1 4.29Å; L105-I157 HydrophobicContact CD1-CD1 4.38Å; I117-I157 HydrophobicContact CG2-CD1 3.66Å; I117-I157 HydrophobicContact CG2-CG1 3.86Å; G118-I157 PolarHBondContact O-N 3.2Å; Y119-I157 WeakPolarHBondContact CA-O 3.48Å; Y119-I157 HydrophobicContact CD2-CB 4.43Å; Y119-I157 HydrophobicContact CD2-CG2 4.06Å; Y119-I157 WeakPolarHBondContact CD2-O 3.29Å; V120-I157 PolarHBondContact N-O 3.3Å; V120-I157 VanDerWaalsContact N-O 3.08Å; I157-D159 HydrophobicContact CG2-CB 4.4Å; I157-D159 WeakPolarHBondContact CG2-O 3.48Å; I157-L162 HydrophobicContact CD1-CB 4.24Å; I157-L162 HydrophobicContact CG2-CB 3.86Å; I157-A163 HydrophobicContact CG2-CB 4.09Å; I157-L166 HydrophobicContact CD1-CD1 3.47Å; I157-L166 VanDerWaalsContact CD1-CD1 3.47Å; I157-L166 HydrophobicContact CD1-CG 4.46Å; I157-M168 HydrophobicContact CD1-CE 4.34Å
158T94.3Very high93.3Very high28 Ų2840.1 Ų40.117%0.17220%0.196CC..  trans-106.2-18166.957.10000113.2R98 V120 Y123R98-T158 PolarHBondContact NH2-OG1 2.82Å; V120-T158 WeakPolarHBondContact O-CA 3.5Å; Y123-T158 HydrophobicContact CD2-CG2 4.46Å; Y123-T158 HydrophobicContact CE1-CG2 4.06Å; Y123-T158 HydrophobicContact CE2-CG2 3.6Å; Y123-T158 VanDerWaalsContact OH-CG2 3.24Å; Y123-T158 WeakPolarHBondContact OH-CG2 3.38Å
159D94.5Very high93.6Very high65 Ų6544.5 Ų44.535%0.34822%0.224SC..  trans-86.2124.6-175.8-176.7-70.1000111.3I157 Y161 L162 A163I157-D159 HydrophobicContact CG2-CB 4.4Å; I157-D159 WeakPolarHBondContact CG2-O 3.48Å; D159-Y161 VanDerWaalsContact C-N 3.33Å; D159-Y161 PolarHBondContact O-N 3.39Å; D159-Y161 VanDerWaalsContact OD1-CA 3.3Å; D159-Y161 WeakPolarHBondContact OD1-CA 3.26Å; D159-Y161 VanDerWaalsContact OD1-CB 3.25Å; D159-Y161 WeakPolarHBondContact OD1-CB 3.39Å; D159-Y161 PolarHBondContact OD1-N 3.38Å; D159-L162 HydrophobicContact CB-CB 4.16Å; D159-L162 HydrophobicContact CB-CD1 3.95Å; D159-L162 HydrophobicContact CB-CG 4.02Å; D159-L162 PolarHBondContact O-N 3.45Å; D159-L162 PolarHBondContact OD1-N 3.02Å; D159-A163 WeakPolarHBondContact O-CB 3.47Å; D159-A163 PolarHBondContact O-N 2.86Å
160K94.2Very high93.8Very high153 Ų15346.5 Ų46.567%0.66524%0.242SC*.Hα-helixtrans-65-33.9-178-174.6-179.1-177.7-174.40113.1S164K160-S164 WeakPolarHBondContact O-CB 3.43Å; K160-S164 PolarHBondContact O-N 3.22Å
161Y95.3Very high94.3Very high140 Ų14044.2 Ų44.255%0.54924%0.235SC..Hα-helixtrans-69.7-45.1177.5166.3-103.5000110.5D159 A163 S164 K165D159-Y161 VanDerWaalsContact C-N 3.33Å; D159-Y161 PolarHBondContact O-N 3.39Å; D159-Y161 VanDerWaalsContact OD1-CA 3.3Å; D159-Y161 WeakPolarHBondContact OD1-CA 3.26Å; D159-Y161 VanDerWaalsContact OD1-CB 3.25Å; D159-Y161 WeakPolarHBondContact OD1-CB 3.39Å; D159-Y161 PolarHBondContact OD1-N 3.38Å; Y161-A163 VanDerWaalsContact C-N 3.33Å; Y161-A163 PolarHBondContact O-N 3.42Å; Y161-S164 PolarHBondContact O-N 2.78Å; Y161-S164 PolarHBondContact O-OG 2.04Å; Y161-K165 PolarHBondContact O-N 3.25Å; Y161-K165 WeakPolarHBondContact OH-CE 3.18Å; Y161-K165 PolarHBondContact OH-NZ 3.01Å
162L96.5Very high94.8Very high4 Ų443.1 Ų43.12%0.02123%0.231CC..Hα-helixtrans-62.7-39.6173.5-64.3179.3000112.4D102 L105 I157 D159 S164 K165D102-L162 WeakPolarHBondContact OD1-CD2 3.46Å; L105-L162 HydrophobicContact CD2-CD2 4.41Å; I157-L162 HydrophobicContact CD1-CB 4.24Å; I157-L162 HydrophobicContact CG2-CB 3.86Å; D159-L162 HydrophobicContact CB-CB 4.16Å; D159-L162 HydrophobicContact CB-CD1 3.95Å; D159-L162 HydrophobicContact CB-CG 4.02Å; D159-L162 PolarHBondContact O-N 3.45Å; D159-L162 PolarHBondContact OD1-N 3.02Å; L162-S164 VanDerWaalsContact C-N 3.31Å; L162-S164 PolarHBondContact O-N 2.98Å; L162-K165 PolarHBondContact O-N 3.34Å
163A96.2Very high95.1Very high0 Ų044.6 Ų44.60%024%0.238CC..Hα-helixtrans-61.9-39.5175.600000112.2Y119 I157 D159 Y161 K165 L166 N167 M168Y119-A163 HydrophobicContact CD1-CB 3.71Å; Y119-A163 HydrophobicContact CD2-CB 3.42Å; Y119-A163 VanDerWaalsContact CD2-CB 3.42Å; Y119-A163 HydrophobicContact CE1-CB 3.96Å; Y119-A163 HydrophobicContact CE2-CB 3.68Å; Y119-A163 HydrophobicContact CG-CB 3.45Å; Y119-A163 VanDerWaalsContact CG-CB 3.45Å; I157-A163 HydrophobicContact CG2-CB 4.09Å; D159-A163 WeakPolarHBondContact O-CB 3.47Å; D159-A163 PolarHBondContact O-N 2.86Å; Y161-A163 VanDerWaalsContact C-N 3.33Å; Y161-A163 PolarHBondContact O-N 3.42Å; A163-K165 VanDerWaalsContact C-N 3.28Å; A163-K165 PolarHBondContact O-N 2.91Å; A163-L166 PolarHBondContact O-N 3.23Å; A163-N167 PolarHBondContact O-N 3.15Å; A163-M168 CarbonylContact C-O 3.32Å; A163-M168 VanDerWaalsContact C-O 3.27Å; A163-M168 HydrophobicContact CB-CB 4.14Å; A163-M168 PolarHBondContact O-N 3.37Å
164S95Very high95.3Very high60 Ų6043 Ų4342%0.4223%0.229SC..Hα-helixtrans-61.5-33.7178.579.20000112.9K160 Y161 L162 L166 N167 M168K160-S164 WeakPolarHBondContact O-CB 3.43Å; K160-S164 PolarHBondContact O-N 3.22Å; Y161-S164 PolarHBondContact O-N 2.78Å; Y161-S164 PolarHBondContact O-OG 2.04Å; L162-S164 VanDerWaalsContact C-N 3.31Å; L162-S164 PolarHBondContact O-N 2.98Å; S164-L166 PolarHBondContact O-N 3.39Å; S164-N167 PolarHBondContact O-N 3.33Å; S164-M168 PolarHBondContact N-O 3Å
165K93.9Very high95.2Very high90 Ų9042.8 Ų42.839%0.39123%0.228SC..THydrogen-bonded Turntrans-64-19.2175.2-64-172.9179.7-174.90113.6D102 Y161 L162 A163D102-K165 WeakPolarHBondContact OD1-CD 3.42Å; D102-K165 IonicContact OD1-NZ 3.33Å; D102-K165 PolarHBondContact OD1-NZ 2.81Å; D102-K165 IonicContact OD2-NZ 2.71Å; D102-K165 PolarHBondContact OD2-NZ 3.1Å; Y161-K165 PolarHBondContact O-N 3.25Å; Y161-K165 WeakPolarHBondContact OH-CE 3.18Å; Y161-K165 PolarHBondContact OH-NZ 3.01Å; L162-K165 PolarHBondContact O-N 3.34Å; A163-K165 VanDerWaalsContact C-N 3.28Å; A163-K165 PolarHBondContact O-N 2.91Å
166L94.2Very high95.1Very high10 Ų1042.8 Ų42.85%0.05223%0.228CC..THydrogen-bonded Turntrans-106.414.9178.3-50.4179.9000112.3L105 L109 I117 I157 A163 S164 M168 F177L105-L166 HydrophobicContact CD1-CD1 3.96Å; L105-L166 HydrophobicContact CD1-CD2 4.2Å; L105-L166 HydrophobicContact CD2-CD2 4.22Å; L105-L166 HydrophobicContact CD2-CG 4.43Å; L109-L166 HydrophobicContact CD1-CD2 4.17Å; I117-L166 HydrophobicContact CB-CD1 4.25Å; I117-L166 HydrophobicContact CD1-CD1 3.68Å; I117-L166 HydrophobicContact CG2-CD1 3.87Å; I157-L166 HydrophobicContact CD1-CD1 3.47Å; I157-L166 VanDerWaalsContact CD1-CD1 3.47Å; I157-L166 HydrophobicContact CD1-CG 4.46Å; A163-L166 PolarHBondContact O-N 3.23Å; S164-L166 PolarHBondContact O-N 3.39Å; L166-M168 HydrophobicContact CB-CE 4Å; L166-M168 HydrophobicContact CD1-CE 3.75Å; L166-M168 HydrophobicContact CG-CE 4.48Å; L166-M168 PolarHBondContact O-N 2.91Å; L166-F177 HydrophobicContact CD2-CE2 4.38Å; L166-F177 HydrophobicContact CD2-CZ 3.87Å
167N93.8Very high94.8Very high115 Ų11543 Ų4362%0.61523%0.229SC*.THydrogen-bonded Turntrans58.626.6-174.5-57.2-38.7000114.1A163 S164A163-N167 PolarHBondContact O-N 3.15Å; S164-N167 PolarHBondContact O-N 3.33Å
168M95.7Very high94.2Very high1 Ų144.2 Ų44.21%0.00524%0.239CC..  trans-96115.6170.7-65.3-171.1-70.700109.5I117 Y119 I157 A163 S164 L166 Q173 L186I117-M168 HydrophobicContact CG2-CE 3.96Å; Y119-M168 HydrophobicContact CD1-CB 4.21Å; I157-M168 HydrophobicContact CD1-CE 4.34Å; A163-M168 CarbonylContact C-O 3.32Å; A163-M168 VanDerWaalsContact C-O 3.27Å; A163-M168 HydrophobicContact CB-CB 4.14Å; A163-M168 PolarHBondContact O-N 3.37Å; S164-M168 PolarHBondContact N-O 3Å; L166-M168 HydrophobicContact CB-CE 4Å; L166-M168 HydrophobicContact CD1-CE 3.75Å; L166-M168 HydrophobicContact CG-CE 4.48Å; L166-M168 PolarHBondContact O-N 2.91Å; M168-Q173 HydrophobicContact CB-CB 4.28Å; M168-Q173 HydrophobicContact CG-CB 4.05Å; M168-Q173 HydrophobicContact SD-CB 4.14Å; M168-L186 HydrophobicContact CG-CD2 3.88Å
169T93.5Very high93.3Very high109 Ų10943.4 Ų43.467%0.66924%0.236SC*.  trans-107.9-20.3-173.757.50000113.2Q173T169-Q173 PolarHBondContact OG1-OE1 3.28Å
170A93Very high92.2Very high51 Ų5141.7 Ų41.742%0.42123%0.226SC..SBendtrans-132.1147-176.800000111.6Y119 Q173Y119-A170 VanDerWaalsContact CD1-O 3.25Å; Y119-A170 WeakPolarHBondContact CD1-O 2.99Å; A170-Q173 WeakPolarHBondContact O-CB 3.31Å; A170-Q173 VanDerWaalsContact O-CG 3.31Å; A170-Q173 WeakPolarHBondContact O-CG 3.5Å; A170-Q173 PolarHBondContact O-N 2.78Å; A170-Q173 PolarHBondContact O-OE1 3.27Å
171S93.7Very high91Very high23 Ų2335.5 Ų35.516%0.16121%0.205CC..THydrogen-bonded Turntrans-59.5147.3173-168.90000111.2V120 S121 D128 Q173V120-S171 WeakPolarHBondContact CA-OG 3.45Å; S121-S171 PolarHBondContact N-OG 3.03Å; S121-S171 WeakPolarHBondContact OG-CB 3.42Å; S121-S171 PolarHBondContact OG-OG 3.46Å; D128-S171 WeakPolarHBondContact OD1-CB 3.36Å; D128-S171 PolarHBondContact OD1-OG 3.01Å; S171-Q173 VanDerWaalsContact C-N 3.31Å
172G93.9Very high90Very high12 Ų1234.6 Ų34.612%0.12420%0.204CC..THydrogen-bonded Turntrans78.712.8-174.400000114.1Y119 Y131 F193Y119-G172 PolarHBondContact O-N 3.15Å; Y131-G172 VanDerWaalsContact CD2-CA 3.45Å; Y131-G172 VanDerWaalsContact CG-CA 3.4Å; G172-F193 WeakPolarHBondContact O-CE2 3.39Å; G172-F193 WeakPolarHBondContact O-CZ 3.28Å
173Q96.5Very high89.3Confident32 Ų3239.6 Ų39.615%0.1524%0.235CC..EExtended strand (participates in β ladder)trans-88.8147.6164.9-68.4-172.4-82.800110.9Y119 M168 T169 A170 S171Y119-Q173 PolarHBondContact N-O 3.15Å; M168-Q173 HydrophobicContact CB-CB 4.28Å; M168-Q173 HydrophobicContact CG-CB 4.05Å; M168-Q173 HydrophobicContact SD-CB 4.14Å; T169-Q173 PolarHBondContact OG1-OE1 3.28Å; A170-Q173 WeakPolarHBondContact O-CB 3.31Å; A170-Q173 VanDerWaalsContact O-CG 3.31Å; A170-Q173 WeakPolarHBondContact O-CG 3.5Å; A170-Q173 PolarHBondContact O-N 2.78Å; A170-Q173 PolarHBondContact O-OE1 3.27Å; S171-Q173 VanDerWaalsContact C-N 3.31Å
174L96.7Very high89.1Confident1 Ų141.2 Ų41.21%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-139.9157.2166.77087.8000110.4V116 I117 F135 Y187 F193 I198 W201V116-L174 HydrophobicContact CG1-CD1 4.3Å; I117-L174 CarbonylContact O-C 3.48Å; I117-L174 WeakPolarHBondContact O-CA 3.24Å; I117-L174 WeakPolarHBondContact O-CB 3.2Å; F135-L174 HydrophobicContact CD2-CD2 3.98Å; F135-L174 HydrophobicContact CE2-CB 4.43Å; F135-L174 HydrophobicContact CE2-CD2 4.23Å; L174-Y187 HydrophobicContact CD1-CD2 4.23Å; L174-Y187 HydrophobicContact CD1-CG 4.33Å; L174-Y187 HydrophobicContact CG-CG 4.33Å; L174-Y187 PolarHBondContact O-N 3.47Å; L174-F193 HydrophobicContact CD2-CE2 3.96Å; L174-F193 HydrophobicContact CD2-CZ 4.18Å; L174-I198 HydrophobicContact CD2-CD1 3.82Å; L174-I198 HydrophobicContact CD2-CG1 4.09Å; L174-I198 HydrophobicContact CD2-CG2 3.89Å; L174-W201 HydrophobicContact CD1-CE3 4.48Å; L174-W201 HydrophobicContact CD1-CH2 4.3Å; L174-W201 HydrophobicContact CD1-CZ3 3.72Å
175C96.1Very high89Confident0 Ų043.7 Ų43.70%025%0.249CC..EExtended strand (participates in β ladder)trans-135.7155.317564.40000111.5V116 I117 K185 L186V116-C175 CarbonylContact C-O 3.56Å; V116-C175 WeakPolarHBondContact CA-O 3.45Å; I117-C175 PolarHBondContact N-O 3.45Å; I117-C175 PolarHBondContact O-N 3.18Å; C175-K185 CarbonylContact C-O 3.51Å; C175-K185 VanDerWaalsContact CA-O 3.26Å; C175-K185 WeakPolarHBondContact CA-O 3.46Å; C175-L186 HydrophobicContact CB-CD2 4.03Å; C175-L186 HydrophobicContact CB-CG 4.48Å
176I94.9Very high89.1Confident0 Ų042.6 Ų42.60%025%0.247CC..EExtended strand (participates in β ladder)trans-114.5133.9168.7-170.9179.3000110D114 R115 V116 A178 S184 K185 W201 L202 K205 I206D114-I176 HydrophobicContact CB-CD1 4.44Å; R115-I176 CarbonylContact O-C 3.59Å; R115-I176 WeakPolarHBondContact O-CA 3.34Å; V116-I176 HydrophobicContact CG2-CB 4.23Å; V116-I176 HydrophobicContact CG2-CD1 4.29Å; V116-I176 HydrophobicContact CG2-CG1 3.92Å; I176-A178 HydrophobicContact CD1-CB 4.16Å; I176-A178 HydrophobicContact CG1-CB 4.33Å; I176-S184 CarbonylContact O-C 3.25Å; I176-S184 WeakPolarHBondContact O-CA 3.34Å; I176-K185 HydrophobicContact CG2-CB 4.06Å; I176-K185 PolarHBondContact N-O 2.88Å; I176-K185 PolarHBondContact O-N 2.87Å; I176-W201 HydrophobicContact CB-CH2 4.15Å; I176-W201 HydrophobicContact CB-CZ3 4.19Å; I176-W201 HydrophobicContact CG2-CH2 3.51Å; I176-W201 HydrophobicContact CG2-CZ2 4.22Å; I176-W201 HydrophobicContact CG2-CZ3 3.9Å; I176-L202 HydrophobicContact CB-CD2 4.2Å; I176-L202 HydrophobicContact CD1-CD2 3.86Å; I176-L202 HydrophobicContact CG1-CD2 4.34Å; I176-K205 HydrophobicContact CD1-CB 4.16Å; I176-K205 HydrophobicContact CG2-CB 4Å; I176-I206 HydrophobicContact CD1-CG1 4.17Å
177F91.2Very high89.2Confident10 Ų1043.1 Ų43.14%0.04425%0.249CC..EExtended strand (participates in β ladder)trans-99.1101.3160-60.6-106.4000106.7L109 D114 R115 I117 L166 K182 S184L109-F177 HydrophobicContact CD1-CZ 4.44Å; L109-F177 HydrophobicContact CD2-CD1 4.06Å; L109-F177 HydrophobicContact CD2-CD2 3.59Å; L109-F177 HydrophobicContact CD2-CE1 3.95Å; L109-F177 HydrophobicContact CD2-CE2 3.51Å; L109-F177 HydrophobicContact CD2-CG 3.89Å; L109-F177 HydrophobicContact CD2-CZ 3.69Å; D114-F177 WeakPolarHBondContact CA-O 3.29Å; R115-F177 HydrophobicContact CB-CB 4.21Å; R115-F177 HydrophobicContact CB-CD2 4.43Å; R115-F177 VanDerWaalsContact CZ-CB 3.43Å; R115-F177 PolarHBondContact N-O 3.49Å; R115-F177 PolarHBondContact NH1-O 3.25Å; R115-F177 VanDerWaalsContact NH1-O 3.08Å; R115-F177 PolarHBondContact O-N 2.87Å; I117-F177 HydrophobicContact CD1-CE2 4.14Å; L166-F177 HydrophobicContact CD2-CE2 4.38Å; L166-F177 HydrophobicContact CD2-CZ 3.87Å; F177-K182 VanDerWaalsContact CE1-O 3.29Å; F177-K182 WeakPolarHBondContact CE1-O 3.03Å; F177-S184 VanDerWaalsContact CZ-CB 3.5Å
178A84.8Confident89.3Confident24 Ų2439.7 Ų39.720%0.19823%0.233CC..  trans-94.2136.2-177.800000110.8D114 I176 K205D114-A178 WeakPolarHBondContact OD2-CA 3.21Å; I176-A178 HydrophobicContact CD1-CB 4.16Å; I176-A178 HydrophobicContact CG1-CB 4.33Å; A178-K205 WeakPolarHBondContact CB-O 3.45Å
179G76.1Confident89.2Confident12 Ų1248.8 Ų48.812%0.12427%0.272CS..THydrogen-bonded Turntrans56.9-154.2-169.300000112.1D114 R115 G181D114-G179 WeakPolarHBondContact OD1-CA 3.17Å; D114-G179 PolarHBondContact OD1-N 2.82Å; R115-G179 PolarHBondContact NH1-O 3.43Å; G179-G181 VanDerWaalsContact C-N 3.33Å; G179-G181 PolarHBondContact O-N 2.93Å
180F71.2Confident89.2Confident29 Ų2949 Ų4913%0.12728%0.278CS..THydrogen-bonded Turntrans-85.6-2.8-169.6-48.9-50.8000115R256 H259F180-R256 HydrophobicContact CB-CG 3.71Å; F180-R256 HydrophobicContact CD1-CB 3.53Å; F180-R256 HydrophobicContact CD1-CG 3.56Å; F180-R256 HydrophobicContact CD2-CB 4.1Å; F180-R256 HydrophobicContact CD2-CG 4.12Å; F180-R256 HydrophobicContact CE1-CB 3.6Å; F180-R256 HydrophobicContact CE1-CG 4.19Å; F180-R256 HydrophobicContact CE2-CB 4.18Å; F180-R256 HydrophobicContact CG-CB 3.76Å; F180-R256 HydrophobicContact CG-CG 3.49Å; F180-R256 VanDerWaalsContact CG-CG 3.49Å; F180-R256 HydrophobicContact CZ-CB 3.92Å; F180-H259 HydrophobicContact CD2-CB 3.82Å; F180-H259 HydrophobicContact CE2-CB 3.93Å; F180-H259 AromaticContact CE2-ND1 3.98Å
181G68.6Low89.2Confident22 Ų2250.9 Ų50.923%0.22728%0.277CS..  trans-67.4154.9-17600000114.1R115 G179R115-G181 PolarHBondContact NH2-O 3.01Å; R115-G181 VanDerWaalsContact NH2-O 3.09Å; G179-G181 VanDerWaalsContact C-N 3.33Å; G179-G181 PolarHBondContact O-N 2.93Å
182K73.3Confident89.3Confident122 Ų12253.6 Ų53.653%0.5329%0.294SS..SBendtrans-86.2-10.4169.8-65.2-178.8-178.6176.10113.1F177 D264F177-K182 VanDerWaalsContact CE1-O 3.29Å; F177-K182 WeakPolarHBondContact CE1-O 3.03Å; K182-D264 WeakPolarHBondContact CE-OD1 3.29Å; K182-D264 WeakPolarHBondContact CE-OD2 3.14Å; K182-D264 IonicContact NZ-OD1 3.31Å; K182-D264 PolarHBondContact NZ-OD1 2.85Å; K182-D264 IonicContact NZ-OD2 2.73Å; K182-D264 PolarHBondContact NZ-OD2 2.92Å
183T82.4Confident89.3Confident108 Ų10854.9 Ų54.966%0.66330%0.296SS*.  trans-78.3119.517755.70000111.1
184S91.7Very high89.2Confident35 Ų3560 Ų6025%0.24532%0.318CS..  trans-83.2152.8170.372.20000111.7I176 F177I176-S184 CarbonylContact O-C 3.25Å; I176-S184 WeakPolarHBondContact O-CA 3.34Å; F177-S184 VanDerWaalsContact CZ-CB 3.5Å
185K93.3Very high89Confident112 Ų11260.7 Ų60.749%0.48732%0.323SS..EExtended strand (participates in β ladder)trans-114.2116.5167.5-68.7170.6-175.9164.70107.7C175 I176 W201 K205C175-K185 CarbonylContact C-O 3.51Å; C175-K185 VanDerWaalsContact CA-O 3.26Å; C175-K185 WeakPolarHBondContact CA-O 3.46Å; I176-K185 HydrophobicContact CG2-CB 4.06Å; I176-K185 PolarHBondContact N-O 2.88Å; I176-K185 PolarHBondContact O-N 2.87Å; K185-W201 WeakPolarHBondContact O-CH2 3.44Å; K185-K205 HydrophobicContact CD-CD 4.27Å
186L96.2Very high88.9Confident67 Ų6764.8 Ų64.835%0.35135%0.345SS..EExtended strand (participates in β ladder)trans-70.6147.8175.5-77.1162.5000110.9M168 C175 W201M168-L186 HydrophobicContact CG-CD2 3.88Å; C175-L186 HydrophobicContact CB-CD2 4.03Å; C175-L186 HydrophobicContact CB-CG 4.48Å; L186-W201 WeakPolarHBondContact O-CZ2 3.26Å
187Y96.8Very high88.9Confident21 Ų2165.7 Ų65.78%0.08235%0.352CS..PPolyproline II helixtrans-62.3129.9169.9-169.1-101.1000110.4L174 K189 K191 P192 F193 A197 I198 W201L174-Y187 HydrophobicContact CD1-CD2 4.23Å; L174-Y187 HydrophobicContact CD1-CG 4.33Å; L174-Y187 HydrophobicContact CG-CG 4.33Å; L174-Y187 PolarHBondContact O-N 3.47Å; Y187-K189 PolarHBondContact O-N 2.95Å; Y187-K191 HydrophobicContact CE1-CB 3.69Å; Y187-K191 WeakPolarHBondContact OH-CB 3.5Å; Y187-P192 PolarHBondContact OH-O 3.41Å; Y187-P192 VanDerWaalsContact OH-O 3.13Å; Y187-F193 HydrophobicContact CD1-CD2 4.27Å; Y187-F193 HydrophobicContact CE1-CD2 4.35Å; Y187-A197 VanDerWaalsContact OH-C 3.3Å; Y187-A197 PolarHBondContact OH-O 3.09Å; Y187-I198 HydrophobicContact CD2-CG1 4.4Å; Y187-I198 HydrophobicContact CE2-CB 4.38Å; Y187-I198 HydrophobicContact CE2-CG1 3.86Å; Y187-W201 HydrophobicContact CD2-CB 4.38Å; Y187-W201 AromaticContact CD2-CD2 3.62Å; Y187-W201 HydrophobicContact CD2-CD2 3.62Å; Y187-W201 AromaticContact CD2-CE3 3.61Å; Y187-W201 HydrophobicContact CD2-CE3 3.61Å; Y187-W201 AromaticContact CD2-CG 3.99Å; Y187-W201 HydrophobicContact CD2-CG 3.99Å; Y187-W201 HydrophobicContact CD2-CH2 4.43Å; Y187-W201 HydrophobicContact CD2-CZ2 4.47Å; Y187-W201 HydrophobicContact CD2-CZ3 4.03Å; Y187-W201 HydrophobicContact CE2-CB 3.79Å; Y187-W201 AromaticContact CE2-CD2 3.97Å; Y187-W201 HydrophobicContact CE2-CD2 3.97Å; Y187-W201 HydrophobicContact CE2-CE3 4.13Å; Y187-W201 AromaticContact CE2-CG 3.84Å; Y187-W201 HydrophobicContact CE2-CG 3.84Å
188P95.5Very high89.2Confident42 Ų4265.2 Ų65.227%0.27335%0.35SS..PPolyproline II helixtrans-64.7127.5-177.3-21.532.4000111.9S190 K191P188-S190 PolarHBondContact O-N 3.36Å; P188-S190 VanDerWaalsContact O-N 3.08Å; P188-K191 HydrophobicContact CB-CG 4.3Å; P188-K191 HydrophobicContact CG-CG 4.47Å; P188-K191 PolarHBondContact O-N 3.2Å
189K92.9Very high89.6Confident192 Ų19264.7 Ų64.784%0.83534%0.344SS*.THydrogen-bonded Turntrans-59.4-19.7174.9-65.4-174178.9-177.50113.8Y187Y187-K189 PolarHBondContact O-N 2.95Å
190S93.7Very high90.4Very high114 Ų11468.3 Ų68.380%0.79736%0.361SS*.THydrogen-bonded Turntrans-81.3-12.4176.453.10000114.2P188P188-S190 PolarHBondContact O-N 3.36Å; P188-S190 VanDerWaalsContact O-N 3.08Å
191K94.4Very high91.5Very high90 Ų9067.4 Ų67.439%0.39136%0.357SS..SBendtrans-91.1145.1175.6-75.8-160.4167.9-147.30111.1Y187 P188 F193 W201Y187-K191 HydrophobicContact CE1-CB 3.69Å; Y187-K191 WeakPolarHBondContact OH-CB 3.5Å; P188-K191 HydrophobicContact CB-CG 4.3Å; P188-K191 HydrophobicContact CG-CG 4.47Å; P188-K191 PolarHBondContact O-N 3.2Å; K191-F193 PolarHBondContact O-N 3.35Å; K191-W201 HydrophobicContact CD-CB 4.44Å
192P94.7Very high92.6Very high80 Ų8066.3 Ų66.352%0.51935%0.346SS..  trans-67.3128.5-179.727.2-33.6000110.8Y187 K194 A197Y187-P192 PolarHBondContact OH-O 3.41Å; Y187-P192 VanDerWaalsContact OH-O 3.13Å; P192-K194 VanDerWaalsContact C-N 3.26Å; P192-K194 PolarHBondContact O-N 2.84Å; P192-A197 HydrophobicContact CG-CB 3.84Å; P192-A197 WeakPolarHBondContact O-CB 3.22Å
193F94.4Very high93.3Very high40 Ų4065.6 Ų65.618%0.17534%0.343CS..  trans-75.278.6177.8-157.1-91.9000110.9F130 Y131 T134 G172 L174 Y187 K191 I198F130-F193 HydrophobicContact CE1-CD1 4.29Å; Y131-F193 AromaticContact CD1-CD1 3.77Å; Y131-F193 HydrophobicContact CD1-CD1 3.77Å; Y131-F193 AromaticContact CD1-CE1 3.75Å; Y131-F193 HydrophobicContact CD1-CE1 3.75Å; Y131-F193 HydrophobicContact CD1-CZ 4.49Å; Y131-F193 HydrophobicContact CE1-CD1 4.37Å; Y131-F193 HydrophobicContact CG-CE1 4.39Å; T134-F193 HydrophobicContact CG2-CD1 3.66Å; T134-F193 HydrophobicContact CG2-CE1 3.71Å; G172-F193 WeakPolarHBondContact O-CE2 3.39Å; G172-F193 WeakPolarHBondContact O-CZ 3.28Å; L174-F193 HydrophobicContact CD2-CE2 3.96Å; L174-F193 HydrophobicContact CD2-CZ 4.18Å; Y187-F193 HydrophobicContact CD1-CD2 4.27Å; Y187-F193 HydrophobicContact CE1-CD2 4.35Å; K191-F193 PolarHBondContact O-N 3.35Å; F193-I198 HydrophobicContact CD1-CD1 4.48Å; F193-I198 HydrophobicContact CD2-CD1 4.33Å; F193-I198 HydrophobicContact CE1-CD1 4.26Å; F193-I198 HydrophobicContact CE2-CD1 4.1Å; F193-I198 HydrophobicContact CZ-CD1 4.07Å
194K94.6Very high93.5Very high138 Ų13867.4 Ų67.460%0.634%0.344SS*.SBendtrans-133.6151.4177.5-68-174.3177.4-176.50109.3P192 D196 A197 I198P192-K194 VanDerWaalsContact C-N 3.26Å; P192-K194 PolarHBondContact O-N 2.84Å; K194-D196 PolarHBondContact O-N 3.41Å; K194-A197 PolarHBondContact O-N 3.22Å; K194-I198 WeakPolarHBondContact O-CG1 2.91Å; K194-I198 PolarHBondContact O-N 3.06Å
195S93.1Very high93.2Very high16 Ų1669.6 Ų69.611%0.11235%0.349CS..Hα-helixtrans-58.9-43-173.955.50000113.1K141 I198 V199K141-S195 PolarHBondContact NZ-OG 3.42Å; S195-I198 PolarHBondContact O-N 3.38Å; S195-V199 WeakPolarHBondContact O-CB 3.48Å; S195-V199 VanDerWaalsContact O-CG2 3.26Å; S195-V199 WeakPolarHBondContact O-CG2 3.36Å; S195-V199 PolarHBondContact O-N 3.46Å
196D93Very high92.7Very high86 Ų8666.1 Ų66.146%0.4634%0.335SS..Hα-helixtrans-62.2-48.7176.4-57.9-69000112.2K141 K194 I198 V199 D200K141-D196 IonicContact NZ-OD1 2.71Å; K141-D196 PolarHBondContact NZ-OD1 3.5Å; K141-D196 IonicContact NZ-OD2 3.34Å; K141-D196 PolarHBondContact NZ-OD2 3.3Å; K194-D196 PolarHBondContact O-N 3.41Å; D196-I198 PolarHBondContact O-N 3.3Å; D196-V199 PolarHBondContact O-N 2.72Å; D196-V199 VanDerWaalsContact O-N 3.08Å; D196-D200 WeakPolarHBondContact O-CB 3.47Å; D196-D200 VanDerWaalsContact O-CG 3.26Å; D196-D200 PolarHBondContact O-N 3.03Å
197A95.8Very high91.4Very high19 Ų1964.9 Ų64.916%0.15734%0.338CS..Hα-helixtrans-67.1-19.3178.900000113.9Y187 P192 K194 W201Y187-A197 VanDerWaalsContact OH-C 3.3Å; Y187-A197 PolarHBondContact OH-O 3.09Å; P192-A197 HydrophobicContact CG-CB 3.84Å; P192-A197 WeakPolarHBondContact O-CB 3.22Å; K194-A197 PolarHBondContact O-N 3.22Å; A197-W201 WeakPolarHBondContact O-CB 3.43Å; A197-W201 PolarHBondContact O-N 3.2Å
198I96.3Very high89.7Confident0 Ų065.1 Ų65.10%034%0.342CS..Hα-helixtrans-78.4-50.3168.6-67.3164.4000109.6T134 A138 L174 Y187 F193 K194 S195 D196 D200 W201 L202T134-I198 HydrophobicContact CG2-CD1 3.85Å; A138-I198 HydrophobicContact CB-CB 4.15Å; A138-I198 HydrophobicContact CB-CG2 3.84Å; L174-I198 HydrophobicContact CD2-CD1 3.82Å; L174-I198 HydrophobicContact CD2-CG1 4.09Å; L174-I198 HydrophobicContact CD2-CG2 3.89Å; Y187-I198 HydrophobicContact CD2-CG1 4.4Å; Y187-I198 HydrophobicContact CE2-CB 4.38Å; Y187-I198 HydrophobicContact CE2-CG1 3.86Å; F193-I198 HydrophobicContact CD1-CD1 4.48Å; F193-I198 HydrophobicContact CD2-CD1 4.33Å; F193-I198 HydrophobicContact CE1-CD1 4.26Å; F193-I198 HydrophobicContact CE2-CD1 4.1Å; F193-I198 HydrophobicContact CZ-CD1 4.07Å; K194-I198 WeakPolarHBondContact O-CG1 2.91Å; K194-I198 PolarHBondContact O-N 3.06Å; S195-I198 PolarHBondContact O-N 3.38Å; D196-I198 PolarHBondContact O-N 3.3Å; I198-D200 PolarHBondContact O-N 3.03Å; I198-W201 PolarHBondContact O-N 3.13Å; I198-L202 HydrophobicContact CG2-CD1 3.92Å; I198-L202 HydrophobicContact CG2-CG 4.3Å; I198-L202 VanDerWaalsContact O-CG 3.29Å; I198-L202 WeakPolarHBondContact O-CG 3.49Å; I198-L202 PolarHBondContact O-N 3.45Å
199V93.5Very high87.9Confident13 Ų1364.7 Ų64.78%0.07934%0.339CS..Hα-helixtrans-57.2-48.9178169.10000111.5A138 K141 I142 S195 D196 W201 L202 F203A138-V199 HydrophobicContact CB-CG2 4.22Å; K141-V199 HydrophobicContact CB-CG2 3.96Å; I142-V199 HydrophobicContact CG1-CG1 4.3Å; I142-V199 HydrophobicContact CG1-CG2 3.97Å; S195-V199 WeakPolarHBondContact O-CB 3.48Å; S195-V199 VanDerWaalsContact O-CG2 3.26Å; S195-V199 WeakPolarHBondContact O-CG2 3.36Å; S195-V199 PolarHBondContact O-N 3.46Å; D196-V199 PolarHBondContact O-N 2.72Å; D196-V199 VanDerWaalsContact O-N 3.08Å; V199-W201 VanDerWaalsContact C-N 3.32Å; V199-W201 PolarHBondContact O-N 2.99Å; V199-L202 WeakPolarHBondContact O-CB 3.44Å; V199-L202 PolarHBondContact O-N 3.11Å; V199-L202 VanDerWaalsContact O-N 3.12Å; V199-F203 HydrophobicContact CG1-CD2 3.79Å; V199-F203 HydrophobicContact CG1-CE2 3.35Å; V199-F203 HydrophobicContact CG1-CZ 4.24Å; V199-F203 VanDerWaalsContact O-CD2 3.29Å; V199-F203 WeakPolarHBondContact O-CD2 3.01Å; V199-F203 PolarHBondContact O-N 2.84Å
200D92.5Very high86.5Confident88 Ų8855.8 Ų55.847%0.47130%0.3SS..Hα-helixtrans-57.3-44.7175.3-68.3-21000111.6D196 I198 F203 H204D196-D200 WeakPolarHBondContact O-CB 3.47Å; D196-D200 VanDerWaalsContact O-CG 3.26Å; D196-D200 PolarHBondContact O-N 3.03Å; I198-D200 PolarHBondContact O-N 3.03Å; D200-F203 PolarHBondContact O-N 3.45Å; D200-H204 PolarHBondContact O-N 3.06Å; D200-H204 PolarHBondContact O-ND1 3.13Å
201W94.8Very high85.2Confident10 Ų1052.3 Ų52.34%0.03827%0.274CS..Hα-helixtrans-66.4-38.2177.5175.286000111.9L174 I176 K185 L186 Y187 K191 A197 I198 V199 H204 K205L174-W201 HydrophobicContact CD1-CE3 4.48Å; L174-W201 HydrophobicContact CD1-CH2 4.3Å; L174-W201 HydrophobicContact CD1-CZ3 3.72Å; I176-W201 HydrophobicContact CB-CH2 4.15Å; I176-W201 HydrophobicContact CB-CZ3 4.19Å; I176-W201 HydrophobicContact CG2-CH2 3.51Å; I176-W201 HydrophobicContact CG2-CZ2 4.22Å; I176-W201 HydrophobicContact CG2-CZ3 3.9Å; K185-W201 WeakPolarHBondContact O-CH2 3.44Å; L186-W201 WeakPolarHBondContact O-CZ2 3.26Å; Y187-W201 HydrophobicContact CD2-CB 4.38Å; Y187-W201 AromaticContact CD2-CD2 3.62Å; Y187-W201 HydrophobicContact CD2-CD2 3.62Å; Y187-W201 AromaticContact CD2-CE3 3.61Å; Y187-W201 HydrophobicContact CD2-CE3 3.61Å; Y187-W201 AromaticContact CD2-CG 3.99Å; Y187-W201 HydrophobicContact CD2-CG 3.99Å; Y187-W201 HydrophobicContact CD2-CH2 4.43Å; Y187-W201 HydrophobicContact CD2-CZ2 4.47Å; Y187-W201 HydrophobicContact CD2-CZ3 4.03Å; Y187-W201 HydrophobicContact CE2-CB 3.79Å; Y187-W201 AromaticContact CE2-CD2 3.97Å; Y187-W201 HydrophobicContact CE2-CD2 3.97Å; Y187-W201 HydrophobicContact CE2-CE3 4.13Å; Y187-W201 AromaticContact CE2-CG 3.84Å; Y187-W201 HydrophobicContact CE2-CG 3.84Å; K191-W201 HydrophobicContact CD-CB 4.44Å; A197-W201 WeakPolarHBondContact O-CB 3.43Å; A197-W201 PolarHBondContact O-N 3.2Å; I198-W201 PolarHBondContact O-N 3.13Å; V199-W201 VanDerWaalsContact C-N 3.32Å; V199-W201 PolarHBondContact O-N 2.99Å; W201-H204 CarbonylContact O-C 3.52Å; W201-H204 PolarHBondContact O-N 3.39Å; W201-K205 HydrophobicContact CD2-CG 4.03Å; W201-K205 HydrophobicContact CG-CG 4.41Å; W201-K205 HydrophobicContact CZ2-CG 4.06Å; W201-K205 VanDerWaalsContact O-CG 3.24Å; W201-K205 WeakPolarHBondContact O-CG 3.33Å; W201-K205 PolarHBondContact O-N 2.9Å
202L92.7Very high83.9Confident0 Ų050.3 Ų50.30%026%0.264CS..Hα-helixtrans-62.4-45.9175.6-70.8173000111V116 I142 F154 I176 I198 V199 H204 K205 I206V116-L202 HydrophobicContact CG1-CD2 4.32Å; V116-L202 HydrophobicContact CG2-CD1 4.21Å; V116-L202 HydrophobicContact CG2-CD2 3.43Å; V116-L202 VanDerWaalsContact CG2-CD2 3.43Å; V116-L202 HydrophobicContact CG2-CG 4.48Å; I142-L202 HydrophobicContact CD1-CB 4.16Å; I142-L202 HydrophobicContact CD1-CD1 3.68Å; F154-L202 HydrophobicContact CE1-CD1 4.12Å; F154-L202 HydrophobicContact CZ-CD1 3.73Å; I176-L202 HydrophobicContact CB-CD2 4.2Å; I176-L202 HydrophobicContact CD1-CD2 3.86Å; I176-L202 HydrophobicContact CG1-CD2 4.34Å; I198-L202 HydrophobicContact CG2-CD1 3.92Å; I198-L202 HydrophobicContact CG2-CG 4.3Å; I198-L202 VanDerWaalsContact O-CG 3.29Å; I198-L202 WeakPolarHBondContact O-CG 3.49Å; I198-L202 PolarHBondContact O-N 3.45Å; V199-L202 WeakPolarHBondContact O-CB 3.44Å; V199-L202 PolarHBondContact O-N 3.11Å; V199-L202 VanDerWaalsContact O-N 3.12Å; L202-H204 PolarHBondContact O-N 2.75Å; L202-K205 CarbonylContact O-C 3.47Å; L202-K205 PolarHBondContact O-N 2.74Å; L202-I206 HydrophobicContact CB-CD1 4.4Å; L202-I206 VanDerWaalsContact O-CG1 3.27Å; L202-I206 WeakPolarHBondContact O-CG1 3.41Å; L202-I206 PolarHBondContact O-N 2.83Å
203F87.1Confident82.4Confident106 Ų10646.9 Ų46.947%0.46524%0.244SC..Hα-helixtrans-56.9-34.4174.8-73.9-56.8000113.2S145 V199 D200 K205S145-F203 WeakPolarHBondContact OG-CZ 3.23Å; V199-F203 HydrophobicContact CG1-CD2 3.79Å; V199-F203 HydrophobicContact CG1-CE2 3.35Å; V199-F203 HydrophobicContact CG1-CZ 4.24Å; V199-F203 VanDerWaalsContact O-CD2 3.29Å; V199-F203 WeakPolarHBondContact O-CD2 3.01Å; V199-F203 PolarHBondContact O-N 2.84Å; D200-F203 PolarHBondContact O-N 3.45Å; F203-K205 VanDerWaalsContact C-N 3.31Å; F203-K205 PolarHBondContact O-N 3.47Å
204H86.4Confident80.8Confident147 Ų14747.8 Ų47.868%0.68125%0.25SS*.THydrogen-bonded Turntrans-84.75.6175.2-66.782.3000114.6D200 W201 L202D200-H204 PolarHBondContact O-N 3.06Å; D200-H204 PolarHBondContact O-ND1 3.13Å; W201-H204 CarbonylContact O-C 3.52Å; W201-H204 PolarHBondContact O-N 3.39Å; L202-H204 PolarHBondContact O-N 2.75Å
205K86.3Confident79.1Confident80 Ų8041.3 Ų41.335%0.34822%0.222SC..THydrogen-bonded Turntrans-128-24.2179.3-65.1-63.9164-124.30114I176 A178 K185 W201 L202 F203 G207I176-K205 HydrophobicContact CD1-CB 4.16Å; I176-K205 HydrophobicContact CG2-CB 4Å; A178-K205 WeakPolarHBondContact CB-O 3.45Å; K185-K205 HydrophobicContact CD-CD 4.27Å; W201-K205 HydrophobicContact CD2-CG 4.03Å; W201-K205 HydrophobicContact CG-CG 4.41Å; W201-K205 HydrophobicContact CZ2-CG 4.06Å; W201-K205 VanDerWaalsContact O-CG 3.24Å; W201-K205 WeakPolarHBondContact O-CG 3.33Å; W201-K205 PolarHBondContact O-N 2.9Å; L202-K205 CarbonylContact O-C 3.47Å; L202-K205 PolarHBondContact O-N 2.74Å; F203-K205 VanDerWaalsContact C-N 3.31Å; F203-K205 PolarHBondContact O-N 3.47Å; K205-G207 PolarHBondContact O-N 2.94Å
206I82.8Confident77Confident39 Ų3943.1 Ų43.120%0.224%0.235CC..  trans-53.9127.3172.5-76.8161.8000108.5D114 V151 V152 I176 L202 T208D114-I206 VanDerWaalsContact OD2-CA 3.24Å; D114-I206 WeakPolarHBondContact OD2-CA 3.33Å; V151-I206 HydrophobicContact CG1-CD1 4.05Å; V151-I206 HydrophobicContact CG1-CG1 4.41Å; V151-I206 HydrophobicContact CG1-CG2 3.5Å; V151-I206 VanDerWaalsContact CG1-CG2 3.5Å; V152-I206 HydrophobicContact CB-CD1 4.41Å; V152-I206 HydrophobicContact CG1-CD1 4.25Å; I176-I206 HydrophobicContact CD1-CG1 4.17Å; L202-I206 HydrophobicContact CB-CD1 4.4Å; L202-I206 VanDerWaalsContact O-CG1 3.27Å; L202-I206 WeakPolarHBondContact O-CG1 3.41Å; L202-I206 PolarHBondContact O-N 2.83Å; I206-T208 HydrophobicContact CG2-CG2 4.46Å; I206-T208 WeakPolarHBondContact CG2-OG1 3.5Å
207G67.7Low74.9Confident41 Ų4144.4 Ų44.442%0.42324%0.238SC..  trans-124.514.9-173.500000113D114 K205 V209D114-G207 PolarHBondContact OD2-N 3.36Å; K205-G207 PolarHBondContact O-N 2.94Å; G207-V209 PolarHBondContact O-N 3.18Å; G207-V209 VanDerWaalsContact O-N 3.07Å
208T61.1Low72.7Confident26 Ų2648.8 Ų48.816%0.1625%0.253CS..  trans-58.5111.9-173.844.40000112D114 V151 I206 N210D114-T208 HydrophobicContact CB-CG2 4.32Å; D114-T208 WeakPolarHBondContact OD1-CG2 3.36Å; V151-T208 HydrophobicContact CG1-CG2 4.24Å; V151-T208 VanDerWaalsContact O-CG2 3.3Å; V151-T208 WeakPolarHBondContact O-CG2 3.49Å; I206-T208 HydrophobicContact CG2-CG2 4.46Å; I206-T208 WeakPolarHBondContact CG2-OG1 3.5Å; T208-N210 PolarHBondContact O-N 3.09Å
209V59Low70.3Confident33 Ų3355.3 Ų55.320%0.228%0.278CS..SBendtrans-75.46.2167.9-164.90000111.6G207 H259 F410G207-V209 PolarHBondContact O-N 3.18Å; G207-V209 VanDerWaalsContact O-N 3.07Å; V209-H259 VanDerWaalsContact CG1-CE1 3.48Å; V209-H259 WeakPolarHBondContact CG1-CE1 3.48Å; V209-F410 PolarHBondContact O-N 3.23Å; V209-F410 VanDerWaalsContact O-O 3.05Å
210N61.8Low68.3Low5 Ų559.4 Ų59.43%0.02731%0.307CS..EExtended strand (participates in β ladder)trans-112.498.5-179.8-68-37.9000109.2T208 P252 S255 F410T208-N210 PolarHBondContact O-N 3.09Å; N210-P252 WeakPolarHBondContact ND2-CA 3.34Å; N210-P252 PolarHBondContact ND2-O 2.94Å; N210-S255 WeakPolarHBondContact OD1-CB 3.43Å; N210-S255 PolarHBondContact OD1-OG 3.11Å; N210-F410 CarbonylContact C-O 3.54Å; N210-F410 VanDerWaalsContact CA-O 3.28Å; N210-F410 WeakPolarHBondContact CA-O 3.4Å
211V66.3Low66.3Low41 Ų4161.1 Ų61.125%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-98.9120.4179.7-177.30000110.1G213 T226 F410 A411 T412V211-G213 PolarHBondContact O-N 2.83Å; V211-T226 HydrophobicContact CB-CG2 3.88Å; V211-T226 HydrophobicContact CG1-CG2 3.87Å; V211-T226 HydrophobicContact CG2-CG2 3.96Å; V211-F410 PolarHBondContact N-O 2.92Å; V211-A411 WeakPolarHBondContact O-CA 3.24Å; V211-A411 WeakPolarHBondContact O-CB 3.37Å; V211-T412 PolarHBondContact O-N 3.22Å; V211-T412 VanDerWaalsContact O-N 3.16Å
212W67.5Low64.5Low48 Ų4863.5 Ų63.518%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-84.7110.5171.3-72.279.6000109K150 N214 W238 V248 P252 T412K150-W212 HydrophobicContact CB-CD2 4.16Å; K150-W212 HydrophobicContact CB-CG 3.79Å; K150-W212 HydrophobicContact CD-CZ2 4.45Å; K150-W212 HydrophobicContact CG-CD2 4.16Å; K150-W212 HydrophobicContact CG-CG 4.25Å; K150-W212 HydrophobicContact CG-CZ2 4.48Å; W212-N214 PolarHBondContact O-N 2.92Å; W212-W238 HydrophobicContact CE3-CE3 4.32Å; W212-W238 AromaticContact CE3-CH2 3.96Å; W212-W238 HydrophobicContact CE3-CH2 3.96Å; W212-W238 AromaticContact CE3-CZ3 3.78Å; W212-W238 HydrophobicContact CE3-CZ3 3.78Å; W212-W238 HydrophobicContact CH2-CD2 4.41Å; W212-W238 AromaticContact CH2-CH2 3.9Å; W212-W238 HydrophobicContact CH2-CH2 3.9Å; W212-W238 AromaticContact CH2-CZ2 3.79Å; W212-W238 HydrophobicContact CH2-CZ2 3.79Å; W212-W238 HydrophobicContact CH2-CZ3 4.28Å; W212-W238 AromaticContact CZ3-CD2 3.94Å; W212-W238 HydrophobicContact CZ3-CD2 3.94Å; W212-W238 AromaticContact CZ3-CE2 3.99Å; W212-W238 AromaticContact CZ3-CE3 3.7Å; W212-W238 HydrophobicContact CZ3-CE3 3.7Å; W212-W238 AromaticContact CZ3-CH2 3.53Å; W212-W238 HydrophobicContact CZ3-CH2 3.53Å; W212-W238 AromaticContact CZ3-CZ2 3.83Å; W212-W238 HydrophobicContact CZ3-CZ2 3.83Å; W212-W238 AromaticContact CZ3-CZ3 3.47Å; W212-W238 HydrophobicContact CZ3-CZ3 3.47Å; W212-W238 VanDerWaalsContact CZ3-CZ3 3.47Å; W212-V248 HydrophobicContact CH2-CG1 3.5Å; W212-V248 VanDerWaalsContact CH2-CG1 3.5Å; W212-V248 HydrophobicContact CZ3-CG1 3.45Å; W212-V248 VanDerWaalsContact CZ3-CG1 3.45Å; W212-P252 HydrophobicContact CZ2-CG 3.97Å; W212-T412 VanDerWaalsContact CE2-OG1 3.28Å; W212-T412 HydrophobicContact CH2-CG2 4.5Å; W212-T412 WeakPolarHBondContact CH2-OG1 3.43Å; W212-T412 WeakPolarHBondContact CZ2-OG1 3.48Å; W212-T412 VanDerWaalsContact CZ3-OG1 3.29Å; W212-T412 WeakPolarHBondContact CZ3-OG1 3.05Å
213G63.4Low63.2Low9 Ų964.1 Ų64.19%0.09334%0.336CS..  trans-7292.8175.200000110V211 P215 T412V211-G213 PolarHBondContact O-N 2.83Å; G213-P215 WeakPolarHBondContact O-CD 3.32Å; G213-T412 PolarHBondContact N-O 3.18Å
214N60.9Low62.3Low59 Ų5965.2 Ų65.232%0.31634%0.34SS..  trans-103.272.9150.2175.418.9000107.8A77 G78 W212 S216 Y418A77-N214 PolarHBondContact O-ND2 2.92Å; G78-N214 WeakPolarHBondContact CA-ND2 3.43Å; W212-N214 PolarHBondContact O-N 2.92Å; N214-S216 PolarHBondContact O-N 2.87Å; N214-Y418 PolarHBondContact OD1-OH 3.48Å
215P58.2Low61.3Low2 Ų265.7 Ų65.71%0.01334%0.343CS..  trans-63.7123.3169.629.2-33000107.8G213 H217 L223 Y418 Y421G213-P215 WeakPolarHBondContact O-CD 3.32Å; P215-H217 PolarHBondContact O-N 3Å; P215-L223 HydrophobicContact CB-CD1 3.95Å; P215-L223 HydrophobicContact CB-CD2 4.35Å; P215-L223 HydrophobicContact CB-CG 4.06Å; P215-L223 HydrophobicContact CG-CD1 4.24Å; P215-Y418 HydrophobicContact CG-CD1 4.01Å; P215-Y418 HydrophobicContact CG-CE1 4.16Å; P215-Y421 HydrophobicContact CB-CE2 4.16Å; P215-Y421 WeakPolarHBondContact CB-OH 3.3Å; P215-Y421 HydrophobicContact CG-CD2 4.35Å; P215-Y421 HydrophobicContact CG-CE2 3.38Å; P215-Y421 WeakPolarHBondContact CG-OH 3.4Å
216S49.9Very low60.5Low53 Ų5362.9 Ų62.937%0.37133%0.332SS..  trans-55.8143.2174.769.50000109.3N214 K218 R219N214-S216 PolarHBondContact O-N 2.87Å; S216-K218 PolarHBondContact O-N 3.33Å; S216-R219 PolarHBondContact O-N 2.91Å; S216-R219 PolarHBondContact OG-N 3.36Å
217H49.2Very low60.3Low113 Ų11362.8 Ų62.852%0.52333%0.33SS..THydrogen-bonded Turntrans-54.8-9.5178.3-54.7-83.4000114P215P215-H217 PolarHBondContact O-N 3Å
218K49.6Very low60.7Low112 Ų11266.1 Ų66.149%0.48734%0.335SS..THydrogen-bonded Turntrans-116.5-18.1-161.6-52.9-176.4-173.7178.50114.2E59 S216E59-K218 WeakPolarHBondContact OE2-CD 3.37Å; E59-K218 IonicContact OE2-NZ 3.38Å; E59-K218 PolarHBondContact OE2-NZ 2.71Å; S216-K218 PolarHBondContact O-N 3.33Å
219R46.3Very low61.7Low137 Ų13769.9 Ų69.952%0.51735%0.349SS..  trans-147.8118.8-177.1-66.7-171.7176.6-140.6-11114.6S216 F221 I634S216-R219 PolarHBondContact O-N 2.91Å; S216-R219 PolarHBondContact OG-N 3.36Å; R219-F221 VanDerWaalsContact C-N 3.29Å; R219-F221 PolarHBondContact O-N 3.07Å; R219-I634 VanDerWaalsContact CZ-O 3.27Å; R219-I634 PolarHBondContact NH1-O 2.95Å; R219-I634 PolarHBondContact NH2-O 3.47Å
220S50.6Low63.2Low99 Ų9969.1 Ų69.169%0.69235%0.345SS*.G310 helixtrans-64.5-25.1177.4-41.20000114.8A222 L223S220-A222 VanDerWaalsContact C-N 3.27Å; S220-A222 PolarHBondContact O-N 2.77Å; S220-L223 PolarHBondContact O-N 3.02Å
221F50Low64.6Low124 Ų12468.9 Ų68.954%0.54434%0.344SS..G310 helixtrans-65.8-21.9-171.6-73.5-70000114.9R219 L223 K224R219-F221 VanDerWaalsContact C-N 3.29Å; R219-F221 PolarHBondContact O-N 3.07Å; F221-L223 PolarHBondContact O-N 3.37Å; F221-L223 VanDerWaalsContact O-N 3.13Å; F221-K224 HydrophobicContact CD1-CD 4.2Å; F221-K224 VanDerWaalsContact O-CB 3.27Å; F221-K224 WeakPolarHBondContact O-CB 3.36Å; F221-K224 PolarHBondContact O-N 3.49Å
222A57.3Low65.9Low60 Ų6067 Ų6750%0.49633%0.333SS..G310 helixtrans-58.4-27.9-18000000113.3S220S220-A222 VanDerWaalsContact C-N 3.27Å; S220-A222 PolarHBondContact O-N 2.77Å
223L66.1Low67Low12 Ų1264.8 Ų64.86%0.06332%0.324CS..G310 helixtrans-89.3-11.1177.7-60.7175.5000113.5P215 S220 F221 T226 F227 M413 Y421P215-L223 HydrophobicContact CB-CD1 3.95Å; P215-L223 HydrophobicContact CB-CD2 4.35Å; P215-L223 HydrophobicContact CB-CG 4.06Å; P215-L223 HydrophobicContact CG-CD1 4.24Å; S220-L223 PolarHBondContact O-N 3.02Å; F221-L223 PolarHBondContact O-N 3.37Å; F221-L223 VanDerWaalsContact O-N 3.13Å; L223-T226 WeakPolarHBondContact O-CB 3.49Å; L223-T226 PolarHBondContact O-N 3.16Å; L223-F227 HydrophobicContact CB-CD2 3.93Å; L223-F227 HydrophobicContact CB-CE2 3.59Å; L223-F227 HydrophobicContact CB-CZ 4.14Å; L223-F227 HydrophobicContact CD1-CE2 3.99Å; L223-F227 HydrophobicContact CD1-CZ 4.23Å; L223-F227 HydrophobicContact CD2-CZ 4.43Å; L223-F227 HydrophobicContact CG-CE2 4.29Å; L223-F227 WeakPolarHBondContact O-CD2 3.39Å; L223-F227 WeakPolarHBondContact O-CG 3.4Å; L223-F227 PolarHBondContact O-N 3.41Å; L223-M413 HydrophobicContact CD1-CE 3.64Å; L223-M413 HydrophobicContact CD2-CE 3.54Å; L223-M413 HydrophobicContact CG-CE 4.25Å; L223-Y421 HydrophobicContact CD1-CD1 4.46Å; L223-Y421 HydrophobicContact CD1-CE1 3.7Å
224K68.1Low68.3Low129 Ų12964.4 Ų64.456%0.56132%0.32SS*.Hα-helixtrans-60.2-55-176.3-174.7-177173.2-173.10110.8F221 T226 F227 E228F221-K224 HydrophobicContact CD1-CD 4.2Å; F221-K224 VanDerWaalsContact O-CB 3.27Å; F221-K224 WeakPolarHBondContact O-CB 3.36Å; F221-K224 PolarHBondContact O-N 3.49Å; K224-T226 PolarHBondContact O-N 2.92Å; K224-F227 CarbonylContact O-C 3.43Å; K224-F227 PolarHBondContact O-N 3.4Å; K224-F227 VanDerWaalsContact O-N 3.09Å; K224-E228 PolarHBondContact O-N 2.73Å
225E65.8Low69.6Low157 Ų15761.6 Ų61.673%0.73431%0.305SS*.Hα-helixtrans-59.3-33.8178.5-63.2178.8-176.300112.3
226T69.4Low70.9Confident21 Ų2161.6 Ų61.613%0.12931%0.305CS..Hα-helixtrans-65.9-43.5176.2-61.10000111.3V211 L223 K224 T231 N409V211-T226 HydrophobicContact CB-CG2 3.88Å; V211-T226 HydrophobicContact CG1-CG2 3.87Å; V211-T226 HydrophobicContact CG2-CG2 3.96Å; L223-T226 WeakPolarHBondContact O-CB 3.49Å; L223-T226 PolarHBondContact O-N 3.16Å; K224-T226 PolarHBondContact O-N 2.92Å; T226-T231 PolarHBondContact O-OG1 3.21Å; T226-T231 VanDerWaalsContact O-OG1 3.14Å; T226-N409 PolarHBondContact O-ND2 2.83Å; T226-N409 VanDerWaalsContact O-ND2 3.09Å
227F77.1Confident72.4Confident37 Ų3759.2 Ų59.216%0.16229%0.288CS..Hα-helixtrans-88.73.2-177.1-57.8-30.8000114.3L223 K224 K229 T231 L233 M413 I442 S444L223-F227 HydrophobicContact CB-CD2 3.93Å; L223-F227 HydrophobicContact CB-CE2 3.59Å; L223-F227 HydrophobicContact CB-CZ 4.14Å; L223-F227 HydrophobicContact CD1-CE2 3.99Å; L223-F227 HydrophobicContact CD1-CZ 4.23Å; L223-F227 HydrophobicContact CD2-CZ 4.43Å; L223-F227 HydrophobicContact CG-CE2 4.29Å; L223-F227 WeakPolarHBondContact O-CD2 3.39Å; L223-F227 WeakPolarHBondContact O-CG 3.4Å; L223-F227 PolarHBondContact O-N 3.41Å; K224-F227 CarbonylContact O-C 3.43Å; K224-F227 PolarHBondContact O-N 3.4Å; K224-F227 VanDerWaalsContact O-N 3.09Å; F227-K229 CarbonylContact C-O 3.32Å; F227-K229 PolarHBondContact O-N 3.08Å; F227-T231 HydrophobicContact CD1-CG2 3.96Å; F227-T231 HydrophobicContact CE1-CG2 3.97Å; F227-L233 HydrophobicContact CZ-CD2 4.04Å; F227-M413 HydrophobicContact CZ-CE 4.3Å; F227-I442 HydrophobicContact CB-CG2 4.29Å; F227-I442 HydrophobicContact CD1-CD1 4.1Å; F227-I442 HydrophobicContact CD2-CD1 4.07Å; F227-I442 HydrophobicContact CE1-CD1 3.81Å; F227-I442 HydrophobicContact CE2-CD1 3.76Å; F227-I442 HydrophobicContact CG-CD1 4.24Å; F227-I442 HydrophobicContact CG-CG2 4.36Å; F227-I442 HydrophobicContact CZ-CD1 3.65Å; F227-S444 WeakPolarHBondContact O-CB 3.39Å; F227-S444 PolarHBondContact O-OG 2.88Å
228E77.5Confident73.9Confident111 Ų11154.4 Ų54.452%0.51927%0.265SS..THydrogen-bonded Turntrans-62.8-16.7169.4-78-179-172.600113.3K224K224-E228 PolarHBondContact O-N 2.73Å
229K82.5Confident75.3Confident105 Ų10549.3 Ų49.346%0.45724%0.244SC..SBendtrans-112.4152.9168-60.3179.3-174.5176.10109.6F227 T231F227-K229 CarbonylContact C-O 3.32Å; F227-K229 PolarHBondContact O-N 3.08Å; K229-T231 PolarHBondContact O-N 3Å; K229-T231 PolarHBondContact O-OG1 3.2Å
230P90Very high77Confident17 Ų1743.4 Ų43.411%0.1122%0.222CC..  trans-47.1126.6166.8-27.135.1000110.4L408 N409 I442 D443 F468P230-L408 HydrophobicContact CB-CD1 4.06Å; P230-N409 PolarHBondContact O-N 2.82Å; P230-I442 CarbonylContact C-O 3.44Å; P230-I442 VanDerWaalsContact CA-O 3.31Å; P230-I442 WeakPolarHBondContact CA-O 3.25Å; P230-D443 HydrophobicContact CB-CB 4.45Å; P230-F468 HydrophobicContact CB-CE1 4.04Å; P230-F468 HydrophobicContact CB-CZ 3.84Å; P230-F468 HydrophobicContact CG-CZ 4.43Å
231T90.6Very high78.4Confident0 Ų039.1 Ų39.10%019%0.191CC..EExtended strand (participates in β ladder)trans-134.2121.3-173.2-59.10000110.6T226 F227 K229 L233 N409 A411 I441 I442T226-T231 PolarHBondContact O-OG1 3.21Å; T226-T231 VanDerWaalsContact O-OG1 3.14Å; F227-T231 HydrophobicContact CD1-CG2 3.96Å; F227-T231 HydrophobicContact CE1-CG2 3.97Å; K229-T231 PolarHBondContact O-N 3Å; K229-T231 PolarHBondContact O-OG1 3.2Å; T231-L233 PolarHBondContact O-N 2.86Å; T231-N409 CarbonylContact C-O 3.33Å; T231-N409 WeakPolarHBondContact CA-O 3.44Å; T231-N409 HydrophobicContact CG2-CB 3.95Å; T231-N409 WeakPolarHBondContact OG1-CB 3.32Å; T231-A411 HydrophobicContact CG2-CB 3.73Å; T231-I441 WeakPolarHBondContact O-CA 3.42Å; T231-I442 PolarHBondContact N-O 2.81Å; T231-I442 PolarHBondContact O-N 2.76Å
232L93.4Very high79.8Confident3 Ų333.8 Ų33.82%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-75.1116.5162.8176.973.3000108.4L408 N409 F410 A411 M440 I441 L461 F464 V465L232-L408 HydrophobicContact CB-CD1 4.39Å; L232-L408 HydrophobicContact CB-CD2 4.14Å; L232-L408 HydrophobicContact CB-CG 4.29Å; L232-N409 PolarHBondContact N-O 2.92Å; L232-F410 HydrophobicContact CB-CD1 4.48Å; L232-F410 HydrophobicContact CD2-CD1 3.56Å; L232-F410 HydrophobicContact CD2-CE1 3.49Å; L232-F410 VanDerWaalsContact CD2-CE1 3.49Å; L232-F410 HydrophobicContact CD2-CZ 4.38Å; L232-F410 CarbonylContact O-C 3.58Å; L232-A411 PolarHBondContact O-N 3.39Å; L232-M440 CarbonylContact C-O 3.5Å; L232-M440 WeakPolarHBondContact CA-O 3.4Å; L232-I441 HydrophobicContact CB-CG1 4.08Å; L232-I441 HydrophobicContact CD1-CD1 4.15Å; L232-I441 HydrophobicContact CD1-CG1 3.65Å; L232-I441 HydrophobicContact CG-CG1 4.49Å; L232-L461 HydrophobicContact CD1-CD1 4.13Å; L232-L461 HydrophobicContact CD2-CD1 4.05Å; L232-F464 HydrophobicContact CD1-CD1 3.86Å; L232-F464 HydrophobicContact CD1-CE1 3.87Å; L232-V465 HydrophobicContact CD1-CG2 4.3Å; L232-V465 HydrophobicContact CD2-CG2 3.77Å
233L90.6Very high80.1Confident1 Ų137.9 Ų37.91%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-108.8119.8175.1174.861.3000109.9F227 T231 L235 A411 M413 M440 I442F227-L233 HydrophobicContact CZ-CD2 4.04Å; T231-L233 PolarHBondContact O-N 2.86Å; L233-L235 HydrophobicContact CD1-CD1 3.85Å; L233-L235 HydrophobicContact CD2-CD1 3.67Å; L233-L235 HydrophobicContact CG-CD1 3.58Å; L233-A411 WeakPolarHBondContact CA-O 3.41Å; L233-A411 HydrophobicContact CD1-CB 3.83Å; L233-M413 HydrophobicContact CD1-CB 4.39Å; L233-M413 HydrophobicContact CD1-CE 3.82Å; L233-M413 HydrophobicContact CD1-CG 3.84Å; L233-M413 HydrophobicContact CD1-SD 3.89Å; L233-M413 HydrophobicContact CD2-CE 4.06Å; L233-M413 HydrophobicContact CD2-SD 4.11Å; L233-M440 HydrophobicContact CB-CG 3.85Å; L233-M440 HydrophobicContact CB-SD 4.37Å; L233-M440 HydrophobicContact CD2-CE 4.29Å; L233-M440 HydrophobicContact CD2-CG 4.41Å; L233-M440 HydrophobicContact CD2-SD 3.89Å; L233-M440 HydrophobicContact CG-CE 4.18Å; L233-M440 HydrophobicContact CG-CG 4.37Å; L233-M440 HydrophobicContact CG-SD 4.25Å; L233-M440 PolarHBondContact N-O 3.21Å; L233-M440 PolarHBondContact O-N 2.95Å; L233-I442 HydrophobicContact CD2-CD1 4.26Å
234L91.3Very high80.1Confident1 Ų141.6 Ų41.61%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-98.5117.2168.9177.764.1000109.9A236 L247 V251 A411 T412 M413 K438 A439 L456L234-A236 HydrophobicContact CD1-CB 4Å; L234-A236 HydrophobicContact CD2-CB 4.27Å; L234-A236 HydrophobicContact CG-CB 4Å; L234-L247 HydrophobicContact CD1-CD2 4.36Å; L234-L247 HydrophobicContact CD2-CD2 4.18Å; L234-L247 HydrophobicContact CD2-CG 4.09Å; L234-V251 HydrophobicContact CB-CG2 4.05Å; L234-V251 HydrophobicContact CD2-CG2 3.36Å; L234-V251 HydrophobicContact CG-CG2 4.32Å; L234-A411 PolarHBondContact N-O 2.04Å; L234-T412 HydrophobicContact CB-CG2 4.21Å; L234-T412 HydrophobicContact CD2-CG2 4.36Å; L234-T412 WeakPolarHBondContact O-CA 3.42Å; L234-M413 PolarHBondContact O-N 3.31Å; L234-K438 WeakPolarHBondContact CA-O 3.14Å; L234-A439 HydrophobicContact CD1-CB 4.47Å; L234-L456 HydrophobicContact CD1-CD2 3.43Å; L234-L456 VanDerWaalsContact CD1-CD2 3.43Å
235L87.9Confident79.7Confident0 Ų036.2 Ų36.20%017%0.169CC..EExtended strand (participates in β ladder)trans-98.9109163.4-97.572.6000108.5L233 M413 A422 P437 K438 M440L233-L235 HydrophobicContact CD1-CD1 3.85Å; L233-L235 HydrophobicContact CD2-CD1 3.67Å; L233-L235 HydrophobicContact CG-CD1 3.58Å; L235-M413 WeakPolarHBondContact CA-O 3.1Å; L235-M413 HydrophobicContact CD1-CB 3.73Å; L235-M413 HydrophobicContact CD1-CG 4.23Å; L235-M413 HydrophobicContact CD1-SD 3.85Å; L235-M413 HydrophobicContact CG-CB 3.95Å; L235-A422 HydrophobicContact CD2-CB 3.91Å; L235-P437 CarbonylContact O-C 3.54Å; L235-P437 WeakPolarHBondContact O-CA 3.49Å; L235-K438 HydrophobicContact CB-CB 4.14Å; L235-K438 HydrophobicContact CB-CD 4.46Å; L235-K438 PolarHBondContact N-O 3.06Å; L235-K438 PolarHBondContact O-N 2.91Å; L235-M440 HydrophobicContact CB-CE 4.34Å; L235-M440 HydrophobicContact CD1-CE 3.85Å
236A86.3Confident79.8Confident2 Ų229 Ų292%0.01714%0.136CC..EExtended strand (participates in β ladder)trans-150.3156.9177.800000111.8L234 W238 V248 M413 D414 S415 P437L234-A236 HydrophobicContact CD1-CB 4Å; L234-A236 HydrophobicContact CD2-CB 4.27Å; L234-A236 HydrophobicContact CG-CB 4Å; A236-W238 PolarHBondContact O-N 2.85Å; A236-V248 HydrophobicContact CB-CG2 3.75Å; A236-M413 PolarHBondContact N-O 2.83Å; A236-D414 WeakPolarHBondContact O-CA 3.38Å; A236-S415 VanDerWaalsContact CA-OG 3.24Å; A236-S415 WeakPolarHBondContact CA-OG 3.35Å; A236-S415 PolarHBondContact O-N 2.9Å; A236-P437 HydrophobicContact CB-CB 3.71Å; A236-P437 HydrophobicContact CB-CG 4.08Å
237P81.6Confident79.9Confident3 Ų328.4 Ų28.42%0.01913%0.132CC..  trans-63.1134.3-178.5-22.133.7000110.3S415 K435P237-S415 VanDerWaalsContact CD-OG 3.25Å; P237-S415 WeakPolarHBondContact CD-OG 3.44Å; P237-K435 HydrophobicContact CG-CD 4.48Å
238W80.2Confident80Confident11 Ų1126.6 Ų26.64%0.04212%0.124CC..  trans-117122.1-179.1-169.723.3000112.9L148 K150 W212 A236 L240 V248 D414L148-W238 HydrophobicContact CD1-CH2 3.78Å; L148-W238 HydrophobicContact CD1-CZ3 3.58Å; K150-W238 HydrophobicContact CD-CH2 4.39Å; K150-W238 VanDerWaalsContact CE-CH2 3.44Å; K150-W238 VanDerWaalsContact CE-CZ2 3.41Å; K150-W238 HydrophobicContact CG-CH2 4.22Å; W212-W238 HydrophobicContact CE3-CE3 4.32Å; W212-W238 AromaticContact CE3-CH2 3.96Å; W212-W238 HydrophobicContact CE3-CH2 3.96Å; W212-W238 AromaticContact CE3-CZ3 3.78Å; W212-W238 HydrophobicContact CE3-CZ3 3.78Å; W212-W238 HydrophobicContact CH2-CD2 4.41Å; W212-W238 AromaticContact CH2-CH2 3.9Å; W212-W238 HydrophobicContact CH2-CH2 3.9Å; W212-W238 AromaticContact CH2-CZ2 3.79Å; W212-W238 HydrophobicContact CH2-CZ2 3.79Å; W212-W238 HydrophobicContact CH2-CZ3 4.28Å; W212-W238 AromaticContact CZ3-CD2 3.94Å; W212-W238 HydrophobicContact CZ3-CD2 3.94Å; W212-W238 AromaticContact CZ3-CE2 3.99Å; W212-W238 AromaticContact CZ3-CE3 3.7Å; W212-W238 HydrophobicContact CZ3-CE3 3.7Å; W212-W238 AromaticContact CZ3-CH2 3.53Å; W212-W238 HydrophobicContact CZ3-CH2 3.53Å; W212-W238 AromaticContact CZ3-CZ2 3.83Å; W212-W238 HydrophobicContact CZ3-CZ2 3.83Å; W212-W238 AromaticContact CZ3-CZ3 3.47Å; W212-W238 HydrophobicContact CZ3-CZ3 3.47Å; W212-W238 VanDerWaalsContact CZ3-CZ3 3.47Å; A236-W238 PolarHBondContact O-N 2.85Å; W238-L240 VanDerWaalsContact C-N 3.29Å; W238-L240 HydrophobicContact CD2-CB 4.44Å; W238-L240 HydrophobicContact CD2-CD1 4.42Å; W238-L240 HydrophobicContact CE3-CD1 4.32Å; W238-L240 HydrophobicContact CH2-CD1 3.48Å; W238-L240 VanDerWaalsContact CH2-CD1 3.48Å; W238-L240 HydrophobicContact CZ2-CD1 3.54Å; W238-L240 HydrophobicContact CZ3-CD1 3.88Å; W238-L240 PolarHBondContact O-N 3.48Å; W238-V248 HydrophobicContact CB-CB 4.47Å; W238-V248 HydrophobicContact CB-CG1 4.33Å; W238-V248 HydrophobicContact CB-CG2 4.24Å; W238-V248 HydrophobicContact CD2-CG1 4.29Å; W238-V248 HydrophobicContact CG-CB 4.25Å; W238-V248 HydrophobicContact CG-CG1 4.03Å; W238-D414 HydrophobicContact CB-CB 4.11Å; W238-D414 PolarHBondContact N-OD1 3.21Å
239Q78.9Confident80Confident6 Ų622.8 Ų22.83%0.02811%0.109CC..  trans-84.469.2176-62.3164.621.900110.6L241 L242 Y379 S380Q239-L241 PolarHBondContact O-N 3.43Å; Q239-L241 VanDerWaalsContact O-N 3.15Å; Q239-L242 HydrophobicContact CB-CB 4.09Å; Q239-L242 HydrophobicContact CB-CD1 4.23Å; Q239-L242 HydrophobicContact CB-CG 4.34Å; Q239-L242 HydrophobicContact CG-CD1 4.48Å; Q239-L242 PolarHBondContact O-N 3.06Å; Q239-Y379 HydrophobicContact CB-CD1 3.83Å; Q239-Y379 HydrophobicContact CB-CE1 3.96Å; Q239-Y379 HydrophobicContact CG-CD1 3.89Å; Q239-Y379 HydrophobicContact CG-CE1 4.49Å; Q239-S380 PolarHBondContact NE2-O 2.74Å
240L81.4Confident80Confident13 Ų1317.8 Ų17.87%0.0689%0.088CC..THydrogen-bonded Turntrans-56.7-34.1-170.9179.359.7000114.2Y84 K87 L148 W238 Y379Y84-L240 HydrophobicContact CD1-CD2 4.1Å; Y84-L240 HydrophobicContact CD2-CD2 3.48Å; Y84-L240 VanDerWaalsContact CD2-CD2 3.48Å; Y84-L240 HydrophobicContact CE1-CD2 4.44Å; Y84-L240 HydrophobicContact CE2-CD2 3.84Å; Y84-L240 HydrophobicContact CG-CD2 3.61Å; K87-L240 HydrophobicContact CB-CD1 4.37Å; K87-L240 HydrophobicContact CB-CD2 4.07Å; K87-L240 HydrophobicContact CB-CG 4.17Å; K87-L240 HydrophobicContact CD-CD1 4.5Å; K87-L240 HydrophobicContact CG-CD1 4.06Å; K87-L240 HydrophobicContact CG-CG 4.34Å; L148-L240 HydrophobicContact CD1-CD1 4.33Å; L148-L240 HydrophobicContact CD1-CD2 4.32Å; L148-L240 HydrophobicContact CD2-CD1 4.35Å; L148-L240 HydrophobicContact CD2-CD2 3.92Å; W238-L240 VanDerWaalsContact C-N 3.29Å; W238-L240 HydrophobicContact CD2-CB 4.44Å; W238-L240 HydrophobicContact CD2-CD1 4.42Å; W238-L240 HydrophobicContact CE3-CD1 4.32Å; W238-L240 HydrophobicContact CH2-CD1 3.48Å; W238-L240 VanDerWaalsContact CH2-CD1 3.48Å; W238-L240 HydrophobicContact CZ2-CD1 3.54Å; W238-L240 HydrophobicContact CZ3-CD1 3.88Å; W238-L240 PolarHBondContact O-N 3.48Å; L240-Y379 PolarHBondContact N-OH 3.17Å
241L80.6Confident79.8Confident8 Ų817 Ų174%0.0428%0.083CC..THydrogen-bonded Turntrans-76.4-17.8178.8-63.5178.2000114.7D83 L86 Q239 M373 L377 Y379D83-L241 HydrophobicContact CB-CD1 3.93Å; D83-L241 HydrophobicContact CB-CD2 3.95Å; D83-L241 HydrophobicContact CB-CG 3.7Å; L86-L241 HydrophobicContact CB-CD2 4.24Å; L86-L241 HydrophobicContact CD1-CD2 3.9Å; L86-L241 HydrophobicContact CD2-CD2 3.72Å; L86-L241 HydrophobicContact CG-CD2 4.15Å; Q239-L241 PolarHBondContact O-N 3.43Å; Q239-L241 VanDerWaalsContact O-N 3.15Å; L241-M373 HydrophobicContact CD1-CB 3.79Å; L241-M373 HydrophobicContact CD1-CE 4.27Å; L241-M373 HydrophobicContact CD1-CG 3.53Å; L241-M373 HydrophobicContact CD1-SD 3.71Å; L241-M373 HydrophobicContact CD2-SD 4.44Å; L241-L377 HydrophobicContact CD1-CD1 4.03Å; L241-Y379 HydrophobicContact CB-CE1 4.1Å; L241-Y379 HydrophobicContact CG-CE1 4.36Å; L241-Y379 PolarHBondContact N-OH 2.65Å
242L79.4Confident79.4Confident13 Ų1317.6 Ų17.67%0.0689%0.086CC..  trans-105.8128.8-172.4-56-178.5000110.1Q239 R244 Y280 R370 W371 A374 Y379 F381Q239-L242 HydrophobicContact CB-CB 4.09Å; Q239-L242 HydrophobicContact CB-CD1 4.23Å; Q239-L242 HydrophobicContact CB-CG 4.34Å; Q239-L242 HydrophobicContact CG-CD1 4.48Å; Q239-L242 PolarHBondContact O-N 3.06Å; L242-R244 PolarHBondContact O-N 2.89Å; L242-Y280 HydrophobicContact CB-CE2 4.36Å; L242-Y280 HydrophobicContact CD1-CE2 4.06Å; L242-R370 HydrophobicContact CD2-CB 4.35Å; L242-W371 HydrophobicContact CD1-CD2 4.43Å; L242-W371 HydrophobicContact CD1-CE3 4.12Å; L242-W371 HydrophobicContact CD1-CH2 4.09Å; L242-W371 HydrophobicContact CD1-CZ2 4.4Å; L242-W371 HydrophobicContact CD1-CZ3 3.94Å; L242-W371 HydrophobicContact CD2-CD2 3.8Å; L242-W371 HydrophobicContact CD2-CE3 4.23Å; L242-W371 HydrophobicContact CD2-CG 4.06Å; L242-W371 HydrophobicContact CD2-CZ2 4.46Å; L242-A374 HydrophobicContact CD1-CB 4.06Å; L242-A374 HydrophobicContact CD2-CB 4.02Å; L242-A374 HydrophobicContact CG-CB 4.07Å; L242-Y379 HydrophobicContact CD1-CD1 4.42Å; L242-F381 HydrophobicContact CD1-CD1 4.46Å; L242-F381 HydrophobicContact CD1-CE1 3.69Å
243E64.2Low79Confident145 Ų14517.7 Ų17.768%0.6789%0.087SC*.  trans-76.8-19.7-172.5-71.2-174.9-18000113.9R370E243-R370 IonicContact OE1-CZ 3.19Å; E243-R370 VanDerWaalsContact OE1-CZ 3.26Å; E243-R370 IonicContact OE1-NH1 2.71Å; E243-R370 PolarHBondContact OE1-NH1 3.31Å; E243-R370 IonicContact OE1-NH2 2.66Å; E243-R370 PolarHBondContact OE1-NH2 3.05Å; E243-R370 IonicContact OE2-NH1 3.56Å
244R64.6Low78.9Confident91 Ų9117.7 Ų17.734%0.3439%0.087SC..SBendtrans-69.1143174.2-67.7-157.2-167.6167.23.1110.3L242 S246 G279 Y280 E284L242-R244 PolarHBondContact O-N 2.89Å; R244-S246 PolarHBondContact O-N 2.8Å; R244-G279 WeakPolarHBondContact CD-O 3.18Å; R244-Y280 HydrophobicContact CB-CE1 4.1Å; R244-Y280 HydrophobicContact CB-CE2 3.9Å; R244-Y280 WeakPolarHBondContact CB-OH 3.48Å; R244-Y280 HydrophobicContact CG-CE1 3.75Å; R244-Y280 HydrophobicContact CG-CE2 4.46Å; R244-Y280 WeakPolarHBondContact CG-OH 3.05Å; R244-E284 IonicContact CZ-OE1 3.47Å; R244-E284 VanDerWaalsContact NH1-CD 3.34Å; R244-E284 IonicContact NH1-OE1 3.9Å; R244-E284 PolarHBondContact NH1-OE1 3.35Å; R244-E284 IonicContact NH1-OE2 2.81Å; R244-E284 PolarHBondContact NH1-OE2 3.28Å; R244-E284 IonicContact NH2-OE1 2.62Å; R244-E284 PolarHBondContact NH2-OE1 2.92Å
245S60Low78.8Confident15 Ų1517.7 Ų17.711%0.1059%0.087CC..BIsolated β-bridgetrans-69136.6-171.2-70.90000110.3S277 L278 G279S245-S277 PolarHBondContact N-O 3.21Å; S245-L278 CarbonylContact O-C 3.55Å; S245-L278 VanDerWaalsContact O-CA 3.29Å; S245-L278 WeakPolarHBondContact O-CA 3.49Å; S245-L278 WeakPolarHBondContact O-CD2 3.33Å; S245-G279 PolarHBondContact O-N 3.07Å
246S67.7Low78.7Confident7 Ų718 Ų185%0.0499%0.088CC..  trans-94.7176.3157.562.70000108.6R244 V248 S249 L250 L278R244-S246 PolarHBondContact O-N 2.8Å; S246-V248 PolarHBondContact O-N 3.21Å; S246-V248 WeakPolarHBondContact OG-CB 3.28Å; S246-V248 PolarHBondContact OG-N 3.45Å; S246-S249 PolarHBondContact N-OG 2.91Å; S246-S249 WeakPolarHBondContact O-CA 3.49Å; S246-S249 VanDerWaalsContact O-CB 3.28Å; S246-S249 WeakPolarHBondContact O-CB 3.44Å; S246-S249 PolarHBondContact O-N 2.85Å; S246-L250 PolarHBondContact O-N 3.46Å; S246-L278 VanDerWaalsContact O-CD2 3.29Å; S246-L278 WeakPolarHBondContact O-CD2 3.41Å
247L72.8Confident78.8Confident7 Ų717.9 Ų17.94%0.0379%0.087CC..Hα-helixtrans-56.9-32.2173.7-169.871000112.2L234 S249 L250 V251 F385 L456L234-L247 HydrophobicContact CD1-CD2 4.36Å; L234-L247 HydrophobicContact CD2-CD2 4.18Å; L234-L247 HydrophobicContact CD2-CG 4.09Å; L247-S249 PolarHBondContact O-N 2.79Å; L247-L250 HydrophobicContact CD1-CD1 4.21Å; L247-L250 WeakPolarHBondContact O-CB 3.49Å; L247-L250 PolarHBondContact O-N 2.96Å; L247-V251 PolarHBondContact O-N 3.32Å; L247-F385 HydrophobicContact CB-CE2 4.12Å; L247-F385 HydrophobicContact CD1-CD2 4.5Å; L247-F385 HydrophobicContact CD1-CE2 4.06Å; L247-F385 HydrophobicContact CD1-CZ 4.26Å; L247-L456 HydrophobicContact CD2-CD2 3.21Å; L247-L456 HydrophobicContact CD2-CG 3.62Å
248V78.8Confident79.2Confident0 Ų017.8 Ų17.80%09%0.087CC..Hα-helixtrans-58.6-33.7172.9-169.10000111.4W212 A236 W238 S246 T412W212-V248 HydrophobicContact CH2-CG1 3.5Å; W212-V248 VanDerWaalsContact CH2-CG1 3.5Å; W212-V248 HydrophobicContact CZ3-CG1 3.45Å; W212-V248 VanDerWaalsContact CZ3-CG1 3.45Å; A236-V248 HydrophobicContact CB-CG2 3.75Å; W238-V248 HydrophobicContact CB-CB 4.47Å; W238-V248 HydrophobicContact CB-CG1 4.33Å; W238-V248 HydrophobicContact CB-CG2 4.24Å; W238-V248 HydrophobicContact CD2-CG1 4.29Å; W238-V248 HydrophobicContact CG-CB 4.25Å; W238-V248 HydrophobicContact CG-CG1 4.03Å; S246-V248 PolarHBondContact O-N 3.21Å; S246-V248 WeakPolarHBondContact OG-CB 3.28Å; S246-V248 PolarHBondContact OG-N 3.45Å; V248-T412 HydrophobicContact CG1-CG2 3.67Å
249S77.9Confident79.5Confident30 Ų3018.9 Ų18.921%0.219%0.092CC..Hα-helixtrans-77.9-16.2176.1-530000113.9S246 L247 Q253S246-S249 PolarHBondContact N-OG 2.91Å; S246-S249 WeakPolarHBondContact O-CA 3.49Å; S246-S249 VanDerWaalsContact O-CB 3.28Å; S246-S249 WeakPolarHBondContact O-CB 3.44Å; S246-S249 PolarHBondContact O-N 2.85Å; L247-S249 PolarHBondContact O-N 2.79Å; S249-Q253 PolarHBondContact O-NE2 3.11Å
250L80.9Confident79.8Confident0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-77.7-34.1171-87.5-162.8000112.9S246 L247 P252 Q253 L254 Y271 C275 L278 L458S246-L250 PolarHBondContact O-N 3.46Å; L247-L250 HydrophobicContact CD1-CD1 4.21Å; L247-L250 WeakPolarHBondContact O-CB 3.49Å; L247-L250 PolarHBondContact O-N 2.96Å; L250-P252 VanDerWaalsContact C-N 3.34Å; L250-Q253 CarbonylContact O-C 3.41Å; L250-Q253 WeakPolarHBondContact O-CA 3.29Å; L250-Q253 VanDerWaalsContact O-CB 3.25Å; L250-Q253 WeakPolarHBondContact O-CB 3.49Å; L250-Q253 PolarHBondContact O-N 2.88Å; L250-L254 HydrophobicContact CB-CD1 4.32Å; L250-L254 HydrophobicContact CB-CG 4.39Å; L250-L254 PolarHBondContact O-N 2.96Å; L250-Y271 HydrophobicContact CD2-CE2 4.18Å; L250-C275 HydrophobicContact CD2-CB 4.13Å; L250-L278 HydrophobicContact CD1-CD1 3.64Å; L250-L278 HydrophobicContact CD2-CD1 4.03Å; L250-L278 HydrophobicContact CD2-CD2 4.27Å; L250-L278 HydrophobicContact CD2-CG 4.48Å; L250-L278 HydrophobicContact CG-CD1 3.72Å; L250-L278 HydrophobicContact CG-CD2 3.8Å; L250-L278 HydrophobicContact CG-CG 4.3Å; L250-L458 HydrophobicContact CD1-CD1 4Å
251V86Confident79.9Confident2 Ų221.8 Ų21.81%0.01211%0.112CC..Hα-helixtrans-52.6-44-171.2172.30000113.5L234 L247 Q253 L254 S255 F410 T412L234-V251 HydrophobicContact CB-CG2 4.05Å; L234-V251 HydrophobicContact CD2-CG2 3.36Å; L234-V251 HydrophobicContact CG-CG2 4.32Å; L247-V251 PolarHBondContact O-N 3.32Å; V251-Q253 PolarHBondContact O-N 2.98Å; V251-L254 PolarHBondContact O-N 3.46Å; V251-S255 WeakPolarHBondContact O-CB 3.4Å; V251-S255 PolarHBondContact O-N 2.8Å; V251-F410 HydrophobicContact CG1-CB 3.88Å; V251-F410 HydrophobicContact CG1-CD1 4.08Å; V251-F410 HydrophobicContact CG1-CG 4.49Å; V251-T412 HydrophobicContact CB-CG2 3.58Å; V251-T412 HydrophobicContact CG1-CG2 3.8Å; V251-T412 HydrophobicContact CG2-CG2 3.71Å
252P83.7Confident80Confident11 Ų1127.3 Ų27.37%0.07114%0.142CC..Hα-helixtrans-61.4-28175.2-2636.6000114.6P112 N210 W212 L250 R256P112-P252 HydrophobicContact CB-CB 3.68Å; P112-P252 HydrophobicContact CG-CB 3.85Å; N210-P252 WeakPolarHBondContact ND2-CA 3.34Å; N210-P252 PolarHBondContact ND2-O 2.94Å; W212-P252 HydrophobicContact CZ2-CG 3.97Å; L250-P252 VanDerWaalsContact C-N 3.34Å; P252-R256 PolarHBondContact O-N 3.08Å
253Q84.2Confident80.2Confident5 Ų534.8 Ų34.82%0.02317%0.169CC..Hα-helixtrans-82.2-39.8179.3-36.5-1783000111.1S249 L250 V251 R256 L257 F267 W270 Y271S249-Q253 PolarHBondContact O-NE2 3.11Å; L250-Q253 CarbonylContact O-C 3.41Å; L250-Q253 WeakPolarHBondContact O-CA 3.29Å; L250-Q253 VanDerWaalsContact O-CB 3.25Å; L250-Q253 WeakPolarHBondContact O-CB 3.49Å; L250-Q253 PolarHBondContact O-N 2.88Å; V251-Q253 PolarHBondContact O-N 2.98Å; Q253-R256 WeakPolarHBondContact O-CB 3.48Å; Q253-R256 PolarHBondContact O-N 2.98Å; Q253-L257 WeakPolarHBondContact O-CB 3.46Å; Q253-L257 PolarHBondContact O-N 3.17Å; Q253-F267 HydrophobicContact CB-CZ 4.35Å; Q253-W270 HydrophobicContact CB-CZ3 4.27Å; Q253-W270 HydrophobicContact CG-CH2 4.06Å; Q253-W270 HydrophobicContact CG-CZ3 3.72Å; Q253-W270 VanDerWaalsContact OE1-CZ3 3.3Å; Q253-Y271 HydrophobicContact CB-CD2 3.92Å
254L88.4Confident81Confident2 Ų228.4 Ų28.41%0.0114%0.14CC..Hα-helixtrans-62.5-44172.2-66176.7000110.8L250 V251 R256 L257 Y258 Y271 F397 F410 L458 L461L250-L254 HydrophobicContact CB-CD1 4.32Å; L250-L254 HydrophobicContact CB-CG 4.39Å; L250-L254 PolarHBondContact O-N 2.96Å; V251-L254 PolarHBondContact O-N 3.46Å; L254-R256 VanDerWaalsContact C-N 3.3Å; L254-R256 PolarHBondContact O-N 3.13Å; L254-L257 PolarHBondContact O-N 3.5Å; L254-Y258 VanDerWaalsContact O-CB 3.26Å; L254-Y258 WeakPolarHBondContact O-CB 3.36Å; L254-Y258 PolarHBondContact O-N 3.26Å; L254-Y271 HydrophobicContact CD2-CE2 4.04Å; L254-F397 HydrophobicContact CB-CE1 4.43Å; L254-F397 HydrophobicContact CB-CZ 4.15Å; L254-F397 HydrophobicContact CD2-CE1 4.47Å; L254-F397 WeakPolarHBondContact O-CE1 3.19Å; L254-F410 HydrophobicContact CB-CE1 4.3Å; L254-L458 HydrophobicContact CD1-CD1 4.36Å; L254-L458 HydrophobicContact CD2-CD1 3.87Å; L254-L461 HydrophobicContact CD1-CD2 3.71Å; L254-L461 HydrophobicContact CD1-CG 4.46Å
255S88.5Confident81.9Confident0 Ų027.7 Ų27.70%015%0.147CC..Hα-helixtrans-56.9-42.2171.3-175.40000112.4N210 V251 H259 F410N210-S255 WeakPolarHBondContact OD1-CB 3.43Å; N210-S255 PolarHBondContact OD1-OG 3.11Å; V251-S255 WeakPolarHBondContact O-CB 3.4Å; V251-S255 PolarHBondContact O-N 2.8Å; S255-H259 PolarHBondContact O-N 3.13Å; S255-H259 VanDerWaalsContact O-N 3.11Å; S255-H259 PolarHBondContact O-ND1 3.46Å; S255-F410 VanDerWaalsContact CB-CG 3.48Å; S255-F410 WeakPolarHBondContact OG-CD2 3.46Å
256R86.3Confident82.8Confident7 Ų732.2 Ų32.23%0.02617%0.166CC..Hα-helixtrans-63.4-48174-178.6160176.5-177.6-0.1112.2S110 F180 P252 Q253 L254 Y258 H259 D260 D264 F267S110-R256 PolarHBondContact O-NH1 2.85Å; F180-R256 HydrophobicContact CB-CG 3.71Å; F180-R256 HydrophobicContact CD1-CB 3.53Å; F180-R256 HydrophobicContact CD1-CG 3.56Å; F180-R256 HydrophobicContact CD2-CB 4.1Å; F180-R256 HydrophobicContact CD2-CG 4.12Å; F180-R256 HydrophobicContact CE1-CB 3.6Å; F180-R256 HydrophobicContact CE1-CG 4.19Å; F180-R256 HydrophobicContact CE2-CB 4.18Å; F180-R256 HydrophobicContact CG-CB 3.76Å; F180-R256 HydrophobicContact CG-CG 3.49Å; F180-R256 VanDerWaalsContact CG-CG 3.49Å; F180-R256 HydrophobicContact CZ-CB 3.92Å; P252-R256 PolarHBondContact O-N 3.08Å; Q253-R256 WeakPolarHBondContact O-CB 3.48Å; Q253-R256 PolarHBondContact O-N 2.98Å; L254-R256 VanDerWaalsContact C-N 3.3Å; L254-R256 PolarHBondContact O-N 3.13Å; R256-Y258 VanDerWaalsContact C-N 3.3Å; R256-Y258 PolarHBondContact O-N 3.01Å; R256-H259 CarbonylContact O-C 3.59Å; R256-H259 PolarHBondContact O-N 3.39Å; R256-H259 VanDerWaalsContact O-N 3.16Å; R256-D260 WeakPolarHBondContact O-CA 3.49Å; R256-D260 WeakPolarHBondContact O-CB 3.41Å; R256-D260 PolarHBondContact O-N 3.29Å; R256-D264 IonicContact NH2-OD2 2.76Å; R256-D264 PolarHBondContact NH2-OD2 2.82Å; R256-F267 HydrophobicContact CB-CE1 3.94Å; R256-F267 HydrophobicContact CB-CE2 4.13Å; R256-F267 HydrophobicContact CB-CZ 3.62Å; R256-F267 VanDerWaalsContact CD-CD2 3.45Å; R256-F267 VanDerWaalsContact CD-CE2 3.44Å; R256-F267 HydrophobicContact CG-CD1 3.83Å; R256-F267 HydrophobicContact CG-CD2 4.14Å; R256-F267 HydrophobicContact CG-CE1 3.54Å; R256-F267 HydrophobicContact CG-CE2 3.86Å; R256-F267 HydrophobicContact CG-CG 4.13Å; R256-F267 HydrophobicContact CG-CZ 3.56Å; R256-F267 VanDerWaalsContact NE-CG 3.32Å
257L88.1Confident83.5Confident0 Ų032 Ų320%017%0.165CC..Hα-helixtrans-60.8-40.2179.9-171.670.1000111.7Q253 L254 H259 D260 F267 F268 Y271 I394 F397 R398 Q399Q253-L257 WeakPolarHBondContact O-CB 3.46Å; Q253-L257 PolarHBondContact O-N 3.17Å; L254-L257 PolarHBondContact O-N 3.5Å; L257-H259 VanDerWaalsContact C-N 3.34Å; L257-H259 PolarHBondContact O-N 3.27Å; L257-D260 WeakPolarHBondContact O-CB 3.5Å; L257-D260 PolarHBondContact O-N 2.82Å; L257-F267 HydrophobicContact CB-CE1 4.15Å; L257-F267 HydrophobicContact CD1-CE1 4.25Å; L257-F268 HydrophobicContact CD1-CD2 4.18Å; L257-Y271 HydrophobicContact CD2-CE1 4.24Å; L257-I394 HydrophobicContact CD1-CD1 3.9Å; L257-I394 HydrophobicContact CD2-CB 4.11Å; L257-I394 HydrophobicContact CD2-CD1 3.98Å; L257-I394 HydrophobicContact CD2-CG2 4.03Å; L257-I394 HydrophobicContact CG-CD1 4.39Å; L257-F397 HydrophobicContact CB-CE1 4.19Å; L257-F397 HydrophobicContact CD2-CD1 4Å; L257-F397 HydrophobicContact CD2-CE1 4.13Å; L257-F397 HydrophobicContact CG-CD1 4.26Å; L257-F397 HydrophobicContact CG-CE1 4.34Å; L257-R398 HydrophobicContact CD1-CB 4.27Å; L257-R398 HydrophobicContact CD1-CG 3.72Å; L257-R398 HydrophobicContact CG-CB 4.22Å; L257-R398 HydrophobicContact CG-CG 4.08Å; L257-R398 WeakPolarHBondContact O-CA 3.37Å; L257-R398 WeakPolarHBondContact O-CG 3.41Å; L257-Q399 PolarHBondContact O-N 3.14Å
258Y90.4Very high84Confident1 Ų134.9 Ų34.90%0.00418%0.177CC..Hα-helixtrans-63.4-36.9175.3-172.2-98.9000112.8L254 R256 F397 Q399 R400 G401 G406 L408 F410 V465 T469L254-Y258 VanDerWaalsContact O-CB 3.26Å; L254-Y258 WeakPolarHBondContact O-CB 3.36Å; L254-Y258 PolarHBondContact O-N 3.26Å; R256-Y258 VanDerWaalsContact C-N 3.3Å; R256-Y258 PolarHBondContact O-N 3.01Å; Y258-F397 HydrophobicContact CD2-CD2 4.12Å; Y258-F397 HydrophobicContact CD2-CE1 4.29Å; Y258-F397 AromaticContact CD2-CE2 3.82Å; Y258-F397 HydrophobicContact CD2-CE2 3.82Å; Y258-F397 HydrophobicContact CD2-CG 4.48Å; Y258-F397 AromaticContact CD2-CZ 3.9Å; Y258-F397 HydrophobicContact CD2-CZ 3.9Å; Y258-F397 HydrophobicContact CG-CZ 4.28Å; Y258-Q399 CarbonylContact O-C 3.52Å; Y258-Q399 VanDerWaalsContact O-CA 3.23Å; Y258-Q399 WeakPolarHBondContact O-CA 3.42Å; Y258-Q399 PolarHBondContact O-N 2.86Å; Y258-R400 HydrophobicContact CD2-CB 3.99Å; Y258-R400 HydrophobicContact CE2-CB 3.64Å; Y258-R400 HydrophobicContact CE2-CG 4.05Å; Y258-R400 PolarHBondContact O-N 2.89Å; Y258-R400 VanDerWaalsContact O-N 3.1Å; Y258-G401 PolarHBondContact O-N 3.33Å; Y258-G406 WeakPolarHBondContact CE1-O 3.17Å; Y258-G406 VanDerWaalsContact CZ-O 3.25Å; Y258-G406 PolarHBondContact OH-O 2.91Å; Y258-L408 HydrophobicContact CE1-CB 3.81Å; Y258-F410 AromaticContact CD1-CE2 3.75Å; Y258-F410 HydrophobicContact CD1-CE2 3.75Å; Y258-F410 HydrophobicContact CD1-CZ 4.19Å; Y258-F410 HydrophobicContact CD2-CZ 4.28Å; Y258-F410 HydrophobicContact CE1-CE2 4.3Å; Y258-F410 AromaticContact CG-CE2 3.93Å; Y258-F410 HydrophobicContact CG-CE2 3.93Å; Y258-F410 AromaticContact CG-CZ 3.9Å; Y258-F410 HydrophobicContact CG-CZ 3.9Å; Y258-V465 HydrophobicContact CD2-CG1 3.87Å; Y258-V465 HydrophobicContact CE2-CG1 3.39Å; Y258-T469 HydrophobicContact CE2-CG2 4.44Å; Y258-T469 WeakPolarHBondContact OH-CG2 3.48Å
259H87.1Confident84.3Confident33 Ų3340.9 Ų40.915%0.15320%0.203CC..THydrogen-bonded Turntrans-99.616.3178-61.6101.4000114F180 V209 S255 R256 L257 C261 L408F180-H259 HydrophobicContact CD2-CB 3.82Å; F180-H259 HydrophobicContact CE2-CB 3.93Å; F180-H259 AromaticContact CE2-ND1 3.98Å; V209-H259 VanDerWaalsContact CG1-CE1 3.48Å; V209-H259 WeakPolarHBondContact CG1-CE1 3.48Å; S255-H259 PolarHBondContact O-N 3.13Å; S255-H259 VanDerWaalsContact O-N 3.11Å; S255-H259 PolarHBondContact O-ND1 3.46Å; R256-H259 CarbonylContact O-C 3.59Å; R256-H259 PolarHBondContact O-N 3.39Å; R256-H259 VanDerWaalsContact O-N 3.16Å; L257-H259 VanDerWaalsContact C-N 3.34Å; L257-H259 PolarHBondContact O-N 3.27Å; H259-C261 PolarHBondContact O-N 2.96Å; H259-C261 PolarHBondContact O-SG 2.97Å; H259-L408 PolarHBondContact CE1-O 3.21Å; H259-L408 VanDerWaalsContact CE1-O 3.28Å
260D85.3Confident84.4Confident10 Ų1042.1 Ų42.15%0.05320%0.203CC..  trans-79.264.2-175.2-178.530000112.3R256 L257 D262 R263 D264 R398 Q399R256-D260 WeakPolarHBondContact O-CA 3.49Å; R256-D260 WeakPolarHBondContact O-CB 3.41Å; R256-D260 PolarHBondContact O-N 3.29Å; L257-D260 WeakPolarHBondContact O-CB 3.5Å; L257-D260 PolarHBondContact O-N 2.82Å; D260-D262 PolarHBondContact O-N 3.11Å; D260-R263 PolarHBondContact O-N 2.87Å; D260-R263 PolarHBondContact OD1-N 3.03Å; D260-R263 WeakPolarHBondContact OD2-CA 3.47Å; D260-D264 PolarHBondContact OD1-N 3.29Å; D260-D264 PolarHBondContact OD2-N 3.02Å; D260-R398 HydrophobicContact CB-CG 4.42Å; D260-R398 IonicContact OD2-CZ 3.34Å; D260-R398 IonicContact OD2-NE 3.71Å; D260-R398 PolarHBondContact OD2-NE 2.93Å; D260-R398 IonicContact OD2-NH2 3.93Å; D260-R398 PolarHBondContact OD2-NH2 2.88Å; D260-Q399 WeakPolarHBondContact O-CG 3.5Å; D260-Q399 PolarHBondContact O-NE2 2.65Å
261C83.7Confident84.5Confident70 Ų7042.2 Ų42.247%0.47320%0.204SC..THydrogen-bonded Turntrans-62.4-28-175.5-48.70000112.8H259 Q399 C402H259-C261 PolarHBondContact O-N 2.96Å; H259-C261 PolarHBondContact O-SG 2.97Å; C261-Q399 PolarHBondContact O-NE2 2.84Å; C261-C402 WeakPolarHBondContact CA-SG 3.41Å; C261-C402 HydrophobicContact CB-CB 4.03Å; C261-C402 WeakPolarHBondContact CB-SG 3.48Å; C261-C402 PolarHBondContact N-SG 2.81Å; C261-C402 WeakPolarHBondContact SG-CB 3.19Å; C261-C402 CovalentContact SG-SG 2.04Å; C261-C402 PolarHBondContact SG-SG 3.32Å
262D82.7Confident84.5Confident125 Ų12543.7 Ų43.767%0.66821%0.213SC*.THydrogen-bonded Turntrans-84.3-4.8-179-59.4-19.2000113.8D260 D264D260-D262 PolarHBondContact O-N 3.11Å; D262-D264 PolarHBondContact O-N 2.87Å
263R82.4Confident84.4Confident169 Ų16950.9 Ų50.964%0.63824%0.243SC*.  trans5444.7-173.9-59.2-172.3173.5-179.7-3113.9D260 P265 R398 Q399D260-R263 PolarHBondContact O-N 2.87Å; D260-R263 PolarHBondContact OD1-N 3.03Å; D260-R263 WeakPolarHBondContact OD2-CA 3.47Å; R263-P265 WeakPolarHBondContact O-CD 3.25Å; R263-R398 PolarHBondContact O-NH2 3.23Å; R263-Q399 VanDerWaalsContact CZ-OE1 3.24Å
264D82.5Confident84.3Confident11 Ų1151.4 Ų51.46%0.05925%0.247CC..  trans-58.7110.3-172.7-174.68.2000112.8K182 R256 D260 D262 E266 F267 F268 R398K182-D264 WeakPolarHBondContact CE-OD1 3.29Å; K182-D264 WeakPolarHBondContact CE-OD2 3.14Å; K182-D264 IonicContact NZ-OD1 3.31Å; K182-D264 PolarHBondContact NZ-OD1 2.85Å; K182-D264 IonicContact NZ-OD2 2.73Å; K182-D264 PolarHBondContact NZ-OD2 2.92Å; R256-D264 IonicContact NH2-OD2 2.76Å; R256-D264 PolarHBondContact NH2-OD2 2.82Å; D260-D264 PolarHBondContact OD1-N 3.29Å; D260-D264 PolarHBondContact OD2-N 3.02Å; D262-D264 PolarHBondContact O-N 2.87Å; D264-E266 VanDerWaalsContact C-N 3.35Å; D264-E266 PolarHBondContact O-N 3.05Å; D264-E266 PolarHBondContact OD1-N 3.05Å; D264-F267 HydrophobicContact CB-CB 3.91Å; D264-F268 PolarHBondContact O-N 2.6Å; D264-F268 VanDerWaalsContact O-N 3.1Å; D264-R398 PolarHBondContact O-NH2 2.8Å
265P82.3Confident84.1Confident76 Ų7651.3 Ų51.349%0.49425%0.247SC..Hα-helixtrans-73.1-28.6-175.829.9-34.9000112.2R263 F268 K269R263-P265 WeakPolarHBondContact O-CD 3.25Å; P265-F268 PolarHBondContact O-N 3.06Å; P265-K269 WeakPolarHBondContact O-CG 3.21Å; P265-K269 PolarHBondContact O-N 2.94Å
266E79.4Confident83.7Confident110 Ų11055.9 Ų55.951%0.51427%0.27SS..Hα-helixtrans-73.1-38.9177.9-67.1-54.1119.500111.1D264 F268 K269 W270D264-E266 VanDerWaalsContact C-N 3.35Å; D264-E266 PolarHBondContact O-N 3.05Å; D264-E266 PolarHBondContact OD1-N 3.05Å; E266-F268 VanDerWaalsContact C-N 3.35Å; E266-K269 PolarHBondContact O-N 3.47Å; E266-K269 IonicContact OE1-NZ 2.75Å; E266-K269 PolarHBondContact OE1-NZ 3.4Å; E266-K269 IonicContact OE2-NZ 2.95Å; E266-W270 WeakPolarHBondContact O-CB 3.39Å; E266-W270 PolarHBondContact O-N 3.22Å
267F81.5Confident83.3Confident4 Ų457.9 Ų57.92%0.01829%0.286CS..Hα-helixtrans-61.4-43.2169172.5-110000111.8Q253 R256 L257 D264 K269 W270 Y271Q253-F267 HydrophobicContact CB-CZ 4.35Å; R256-F267 HydrophobicContact CB-CE1 3.94Å; R256-F267 HydrophobicContact CB-CE2 4.13Å; R256-F267 HydrophobicContact CB-CZ 3.62Å; R256-F267 VanDerWaalsContact CD-CD2 3.45Å; R256-F267 VanDerWaalsContact CD-CE2 3.44Å; R256-F267 HydrophobicContact CG-CD1 3.83Å; R256-F267 HydrophobicContact CG-CD2 4.14Å; R256-F267 HydrophobicContact CG-CE1 3.54Å; R256-F267 HydrophobicContact CG-CE2 3.86Å; R256-F267 HydrophobicContact CG-CG 4.13Å; R256-F267 HydrophobicContact CG-CZ 3.56Å; R256-F267 VanDerWaalsContact NE-CG 3.32Å; L257-F267 HydrophobicContact CB-CE1 4.15Å; L257-F267 HydrophobicContact CD1-CE1 4.25Å; D264-F267 HydrophobicContact CB-CB 3.91Å; F267-K269 PolarHBondContact O-N 3.34Å; F267-W270 AromaticContact CD2-CE3 3.95Å; F267-W270 HydrophobicContact CD2-CE3 3.95Å; F267-W270 AromaticContact CE2-CE3 3.61Å; F267-W270 HydrophobicContact CE2-CE3 3.61Å; F267-W270 AromaticContact CE2-CZ3 3.85Å; F267-W270 HydrophobicContact CE2-CZ3 3.85Å; F267-W270 CarbonylContact O-C 2.97Å; F267-W270 WeakPolarHBondContact O-CB 3.35Å; F267-W270 PolarHBondContact O-N 3.42Å; F267-W270 VanDerWaalsContact O-N 3.12Å; F267-Y271 PolarHBondContact O-N 2.83Å
268F84.5Confident82.8Confident66 Ų6658.2 Ų58.229%0.28929%0.287SS..Hα-helixtrans-63.2-41.9-179.4-177.6-117.2000112.4L257 D264 P265 E266 W270 Y271 V272 I394L257-F268 HydrophobicContact CD1-CD2 4.18Å; D264-F268 PolarHBondContact O-N 2.6Å; D264-F268 VanDerWaalsContact O-N 3.1Å; P265-F268 PolarHBondContact O-N 3.06Å; E266-F268 VanDerWaalsContact C-N 3.35Å; F268-W270 VanDerWaalsContact C-N 3.32Å; F268-W270 PolarHBondContact O-N 2.68Å; F268-Y271 HydrophobicContact CD2-CD1 4.02Å; F268-Y271 AromaticContact CE2-CD1 3.91Å; F268-Y271 HydrophobicContact CE2-CD1 3.91Å; F268-Y271 HydrophobicContact CE2-CE1 4.31Å; F268-Y271 PolarHBondContact O-N 3.43Å; F268-V272 HydrophobicContact CD2-CG2 4.46Å; F268-V272 HydrophobicContact CE1-CG2 4.23Å; F268-V272 HydrophobicContact CE2-CG2 3.89Å; F268-V272 HydrophobicContact CZ-CG2 3.78Å; F268-V272 WeakPolarHBondContact O-CG2 3.25Å; F268-V272 PolarHBondContact O-N 2.74Å; F268-I394 HydrophobicContact CD2-CD1 3.91Å; F268-I394 HydrophobicContact CE2-CD1 3.3Å; F268-I394 HydrophobicContact CE2-CG1 4.22Å; F268-I394 HydrophobicContact CZ-CD1 3.93Å
269K83.7Confident82.1Confident126 Ų12658.4 Ų58.455%0.54829%0.29SS..Hα-helixtrans-58.1-43.6170.6-69.5169.5-174.1171.40112.1P265 E266 F267 K273P265-K269 WeakPolarHBondContact O-CG 3.21Å; P265-K269 PolarHBondContact O-N 2.94Å; E266-K269 PolarHBondContact O-N 3.47Å; E266-K269 IonicContact OE1-NZ 2.75Å; E266-K269 PolarHBondContact OE1-NZ 3.4Å; E266-K269 IonicContact OE2-NZ 2.95Å; F267-K269 PolarHBondContact O-N 3.34Å; K269-K273 PolarHBondContact O-N 3.04Å; K269-K273 VanDerWaalsContact O-N 3.1Å
270W80.2Confident81.6Confident57 Ų5757.4 Ų57.422%0.21629%0.285CS..Hα-helixtrans-63.9-43.6177.8-178.994.7000111.8S110 P112 Q253 E266 F267 F268 K273 S274S110-W270 PolarHBondContact OG-NE1 3.18Å; P112-W270 HydrophobicContact CG-CH2 4.38Å; Q253-W270 HydrophobicContact CB-CZ3 4.27Å; Q253-W270 HydrophobicContact CG-CH2 4.06Å; Q253-W270 HydrophobicContact CG-CZ3 3.72Å; Q253-W270 VanDerWaalsContact OE1-CZ3 3.3Å; E266-W270 WeakPolarHBondContact O-CB 3.39Å; E266-W270 PolarHBondContact O-N 3.22Å; F267-W270 AromaticContact CD2-CE3 3.95Å; F267-W270 HydrophobicContact CD2-CE3 3.95Å; F267-W270 AromaticContact CE2-CE3 3.61Å; F267-W270 HydrophobicContact CE2-CE3 3.61Å; F267-W270 AromaticContact CE2-CZ3 3.85Å; F267-W270 HydrophobicContact CE2-CZ3 3.85Å; F267-W270 CarbonylContact O-C 2.97Å; F267-W270 WeakPolarHBondContact O-CB 3.35Å; F267-W270 PolarHBondContact O-N 3.42Å; F267-W270 VanDerWaalsContact O-N 3.12Å; F268-W270 VanDerWaalsContact C-N 3.32Å; F268-W270 PolarHBondContact O-N 2.68Å; W270-K273 PolarHBondContact O-N 2.81Å; W270-S274 WeakPolarHBondContact CZ2-OG 3.47Å; W270-S274 WeakPolarHBondContact O-CB 3.41Å; W270-S274 PolarHBondContact O-N 2.86Å; W270-S274 PolarHBondContact O-OG 2.94Å
271Y84.6Confident81.1Confident2 Ų259.1 Ų59.11%0.00830%0.297CS..Hα-helixtrans-58.3-49.5175.3163-101.6000111.7L250 Q253 L254 L257 F267 F268 K273 S274 C275L250-Y271 HydrophobicContact CD2-CE2 4.18Å; Q253-Y271 HydrophobicContact CB-CD2 3.92Å; L254-Y271 HydrophobicContact CD2-CE2 4.04Å; L257-Y271 HydrophobicContact CD2-CE1 4.24Å; F267-Y271 PolarHBondContact O-N 2.83Å; F268-Y271 HydrophobicContact CD2-CD1 4.02Å; F268-Y271 AromaticContact CE2-CD1 3.91Å; F268-Y271 HydrophobicContact CE2-CD1 3.91Å; F268-Y271 HydrophobicContact CE2-CE1 4.31Å; F268-Y271 PolarHBondContact O-N 3.43Å; Y271-K273 VanDerWaalsContact C-N 3.32Å; Y271-K273 PolarHBondContact O-N 3.46Å; Y271-S274 PolarHBondContact O-N 3.07Å; Y271-C275 VanDerWaalsContact O-CB 3.27Å; Y271-C275 WeakPolarHBondContact O-CB 3.17Å; Y271-C275 PolarHBondContact O-N 3.44Å
272V85.5Confident80.9Confident33 Ų3362 Ų6220%0.231%0.308CS..Hα-helixtrans-59.8-44.7178.4173.80000110.6F268 C275 L276 T390F268-V272 HydrophobicContact CD2-CG2 4.46Å; F268-V272 HydrophobicContact CE1-CG2 4.23Å; F268-V272 HydrophobicContact CE2-CG2 3.89Å; F268-V272 HydrophobicContact CZ-CG2 3.78Å; F268-V272 WeakPolarHBondContact O-CG2 3.25Å; F268-V272 PolarHBondContact O-N 2.74Å; V272-C275 PolarHBondContact O-N 3.08Å; V272-L276 HydrophobicContact CG1-CD1 3.93Å; V272-L276 WeakPolarHBondContact O-CB 3.31Å; V272-L276 VanDerWaalsContact O-CG 3.32Å; V272-L276 WeakPolarHBondContact O-CG 3.4Å; V272-L276 PolarHBondContact O-N 3.15Å; V272-T390 HydrophobicContact CG1-CG2 4.29Å
273K82Confident80.9Confident161 Ų16163 Ų6370%0.731%0.307SS*.Hα-helixtrans-61.9-44.7176.2-176.9-178.2176.3-176.50112.5K269 W270 Y271 L276 S277K269-K273 PolarHBondContact O-N 3.04Å; K269-K273 VanDerWaalsContact O-N 3.1Å; W270-K273 PolarHBondContact O-N 2.81Å; Y271-K273 VanDerWaalsContact C-N 3.32Å; Y271-K273 PolarHBondContact O-N 3.46Å; K273-L276 PolarHBondContact O-N 2.89Å; K273-S277 PolarHBondContact O-N 3.39Å
274S80.7Confident81Confident17 Ų1757.4 Ų57.412%0.11929%0.288CS..Hα-helixtrans-67.6-38179.4-76.50000111.6W270 Y271 S277W270-S274 WeakPolarHBondContact CZ2-OG 3.47Å; W270-S274 WeakPolarHBondContact O-CB 3.41Å; W270-S274 PolarHBondContact O-N 2.86Å; W270-S274 PolarHBondContact O-OG 2.94Å; Y271-S274 PolarHBondContact O-N 3.07Å; S274-S277 PolarHBondContact O-N 3.35Å; S274-S277 PolarHBondContact O-OG 3.43Å
275C84Confident81Confident0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-63.7-46.5173.9-168.80000111.4L250 Y271 V272 S277 L278 C389L250-C275 HydrophobicContact CD2-CB 4.13Å; Y271-C275 VanDerWaalsContact O-CB 3.27Å; Y271-C275 WeakPolarHBondContact O-CB 3.17Å; Y271-C275 PolarHBondContact O-N 3.44Å; V272-C275 PolarHBondContact O-N 3.08Å; C275-S277 PolarHBondContact O-N 2.92Å; C275-L278 HydrophobicContact CB-CD1 4.29Å; C275-L278 VanDerWaalsContact O-CB 3.25Å; C275-L278 WeakPolarHBondContact O-CB 3.02Å; C275-L278 WeakPolarHBondContact O-CD1 2.99Å; C275-L278 WeakPolarHBondContact O-CG 3.13Å; C275-L278 PolarHBondContact O-N 2.88Å; C275-C389 VanDerWaalsContact CA-SG 3.58Å; C275-C389 HydrophobicContact CB-CB 3.66Å; C275-C389 WeakPolarHBondContact CB-SG 3.11Å; C275-C389 PolarHBondContact O-SG 3.3Å; C275-C389 VanDerWaalsContact SG-CA 3.54Å; C275-C389 WeakPolarHBondContact SG-CB 3.37Å; C275-C389 CovalentContact SG-SG 2.04Å; C275-C389 PolarHBondContact SG-SG 3.17Å
276L81.5Confident81.2Confident95 Ų9559.8 Ų59.850%0.49730%0.295SS..THydrogen-bonded Turntrans-63.7-11.3175-70.4170000113.9V272 K273 G386 C389 T390V272-L276 HydrophobicContact CG1-CD1 3.93Å; V272-L276 WeakPolarHBondContact O-CB 3.31Å; V272-L276 VanDerWaalsContact O-CG 3.32Å; V272-L276 WeakPolarHBondContact O-CG 3.4Å; V272-L276 PolarHBondContact O-N 3.15Å; K273-L276 PolarHBondContact O-N 2.89Å; L276-G386 WeakPolarHBondContact CD2-O 3.39Å; L276-C389 HydrophobicContact CD2-CB 3.9Å; L276-C389 HydrophobicContact CG-CB 4.09Å; L276-T390 HydrophobicContact CD1-CG2 4.35Å; L276-T390 HydrophobicContact CD2-CG2 4.33Å
277S77.2Confident81.6Confident50 Ų5058.6 Ų58.635%0.3529%0.293SS..THydrogen-bonded Turntrans-97.712173.875.40000114.5S245 K273 S274 C275S245-S277 PolarHBondContact N-O 3.21Å; K273-S277 PolarHBondContact O-N 3.39Å; S274-S277 PolarHBondContact O-N 3.35Å; S274-S277 PolarHBondContact O-OG 3.43Å; C275-S277 PolarHBondContact O-N 2.92Å
278L77.7Confident81.9Confident6 Ų659.7 Ų59.73%0.03130%0.298CS..BIsolated β-bridgetrans-72.1138.7177.2-71.3161.5000112.1S245 S246 L250 C275 P384 F385S245-L278 CarbonylContact O-C 3.55Å; S245-L278 VanDerWaalsContact O-CA 3.29Å; S245-L278 WeakPolarHBondContact O-CA 3.49Å; S245-L278 WeakPolarHBondContact O-CD2 3.33Å; S246-L278 VanDerWaalsContact O-CD2 3.29Å; S246-L278 WeakPolarHBondContact O-CD2 3.41Å; L250-L278 HydrophobicContact CD1-CD1 3.64Å; L250-L278 HydrophobicContact CD2-CD1 4.03Å; L250-L278 HydrophobicContact CD2-CD2 4.27Å; L250-L278 HydrophobicContact CD2-CG 4.48Å; L250-L278 HydrophobicContact CG-CD1 3.72Å; L250-L278 HydrophobicContact CG-CD2 3.8Å; L250-L278 HydrophobicContact CG-CG 4.3Å; C275-L278 HydrophobicContact CB-CD1 4.29Å; C275-L278 VanDerWaalsContact O-CB 3.25Å; C275-L278 WeakPolarHBondContact O-CB 3.02Å; C275-L278 WeakPolarHBondContact O-CD1 2.99Å; C275-L278 WeakPolarHBondContact O-CG 3.13Å; C275-L278 PolarHBondContact O-N 2.88Å; L278-P384 WeakPolarHBondContact O-CA 3.48Å; L278-P384 WeakPolarHBondContact O-CB 3.15Å; L278-F385 HydrophobicContact CD1-CB 4.14Å; L278-F385 HydrophobicContact CD1-CD2 4.23Å
279G74.8Confident82Confident6 Ų663.6 Ų63.66%0.06231%0.311CS..SBendtrans71.3-172.7168.100000115.3R244 S245R244-G279 WeakPolarHBondContact CD-O 3.18Å; S245-G279 PolarHBondContact O-N 3.07Å
280Y76.6Confident82.1Confident12 Ų1260.9 Ų60.95%0.04731%0.312CS..  trans-139.8143178.2-65.5-80.5000108.6L242 R244 E284 L285 W371 F381L242-Y280 HydrophobicContact CB-CE2 4.36Å; L242-Y280 HydrophobicContact CD1-CE2 4.06Å; R244-Y280 HydrophobicContact CB-CE1 4.1Å; R244-Y280 HydrophobicContact CB-CE2 3.9Å; R244-Y280 WeakPolarHBondContact CB-OH 3.48Å; R244-Y280 HydrophobicContact CG-CE1 3.75Å; R244-Y280 HydrophobicContact CG-CE2 4.46Å; R244-Y280 WeakPolarHBondContact CG-OH 3.05Å; Y280-E284 HydrophobicContact CD1-CB 4.49Å; Y280-L285 HydrophobicContact CD2-CD2 4.28Å; Y280-L285 HydrophobicContact CG-CD2 4.05Å; Y280-W371 AromaticContact CD1-CH2 3.8Å; Y280-W371 HydrophobicContact CD1-CH2 3.8Å; Y280-W371 AromaticContact CD1-CZ2 3.91Å; Y280-W371 HydrophobicContact CD1-CZ2 3.91Å; Y280-W371 AromaticContact CD2-CH2 3.95Å; Y280-W371 HydrophobicContact CD2-CH2 3.95Å; Y280-W371 AromaticContact CE1-CH2 3.64Å; Y280-W371 HydrophobicContact CE1-CH2 3.64Å; Y280-W371 AromaticContact CE1-CZ2 3.31Å; Y280-W371 HydrophobicContact CE1-CZ2 3.31Å; Y280-W371 AromaticContact CE2-CH2 3.8Å; Y280-W371 HydrophobicContact CE2-CH2 3.8Å; Y280-W371 HydrophobicContact CE2-CZ2 4.02Å; Y280-W371 AromaticContact CG-CH2 3.94Å; Y280-W371 HydrophobicContact CG-CH2 3.94Å; Y280-W371 HydrophobicContact CG-CZ2 4.46Å; Y280-W371 AromaticContact CZ-CH2 3.62Å; Y280-W371 AromaticContact CZ-CZ2 3.36Å; Y280-F381 HydrophobicContact CD2-CD1 4.49Å
281S75.9Confident82.4Confident45 Ų4563.7 Ų63.732%0.31532%0.322SS..  trans-73.8152.6167.759.90000111.1K283 E284 L285S281-K283 PolarHBondContact O-N 3.36Å; S281-K283 VanDerWaalsContact O-N 3.15Å; S281-E284 PolarHBondContact N-OE2 3.17Å; S281-E284 PolarHBondContact O-N 3.46Å; S281-E284 VanDerWaalsContact OG-CG 3.23Å; S281-E284 WeakPolarHBondContact OG-CG 3.07Å; S281-E284 PolarHBondContact OG-N 3.08Å; S281-E284 PolarHBondContact OG-OE2 3.27Å; S281-L285 WeakPolarHBondContact O-CG 3.27Å; S281-L285 PolarHBondContact O-N 2.73Å
282D78.3Confident82.4Confident130 Ų13063.6 Ų63.670%0.69532%0.322SS*.Hα-helixtrans-54.7-35.7176.7-64-35.9000112.3L285 L286D282-L285 PolarHBondContact O-N 2.8Å; D282-L286 VanDerWaalsContact O-CG 3.31Å; D282-L286 WeakPolarHBondContact O-CG 3.43Å; D282-L286 PolarHBondContact O-N 2.74Å
283K84.5Confident82.2Confident147 Ų14763.1 Ų63.164%0.63932%0.318SS*.Hα-helixtrans-61.3-50.6173.8-174.3-174.6173.6-174.60111.6S281 L285 L286 D287S281-K283 PolarHBondContact O-N 3.36Å; S281-K283 VanDerWaalsContact O-N 3.15Å; K283-L285 VanDerWaalsContact C-N 3.26Å; K283-L285 PolarHBondContact O-N 3.46Å; K283-L286 PolarHBondContact O-N 2.86Å; K283-D287 WeakPolarHBondContact CE-OD2 3.3Å; K283-D287 WeakPolarHBondContact O-CB 3.45Å; K283-D287 VanDerWaalsContact O-CG 3.26Å; K283-D287 PolarHBondContact O-N 3.4Å
284E84.1Confident81.8Confident52 Ų5259.5 Ų59.524%0.24331%0.306CS..Hα-helixtrans-59.5-39.4177.8-73.6167.4119.300111.4R244 Y280 S281 L286 D287 H288R244-E284 IonicContact CZ-OE1 3.47Å; R244-E284 VanDerWaalsContact NH1-CD 3.34Å; R244-E284 IonicContact NH1-OE1 3.9Å; R244-E284 PolarHBondContact NH1-OE1 3.35Å; R244-E284 IonicContact NH1-OE2 2.81Å; R244-E284 PolarHBondContact NH1-OE2 3.28Å; R244-E284 IonicContact NH2-OE1 2.62Å; R244-E284 PolarHBondContact NH2-OE1 2.92Å; Y280-E284 HydrophobicContact CD1-CB 4.49Å; S281-E284 PolarHBondContact N-OE2 3.17Å; S281-E284 PolarHBondContact O-N 3.46Å; S281-E284 VanDerWaalsContact OG-CG 3.23Å; S281-E284 WeakPolarHBondContact OG-CG 3.07Å; S281-E284 PolarHBondContact OG-N 3.08Å; S281-E284 PolarHBondContact OG-OE2 3.27Å; E284-L286 PolarHBondContact O-N 3.45Å; E284-D287 PolarHBondContact O-N 2.88Å; E284-H288 WeakPolarHBondContact O-CB 3.23Å; E284-H288 PolarHBondContact O-N 3Å; E284-H288 PolarHBondContact O-ND1 3.38Å
285L82.6Confident81.1Confident22 Ų2264.4 Ų64.412%0.11533%0.331CS..Hα-helixtrans-61.7-43.6176.9-62.6174.8000112.1Y280 S281 D282 K283 R289 W371 F381Y280-L285 HydrophobicContact CD2-CD2 4.28Å; Y280-L285 HydrophobicContact CG-CD2 4.05Å; S281-L285 WeakPolarHBondContact O-CG 3.27Å; S281-L285 PolarHBondContact O-N 2.73Å; D282-L285 PolarHBondContact O-N 2.8Å; K283-L285 VanDerWaalsContact C-N 3.26Å; K283-L285 PolarHBondContact O-N 3.46Å; L285-R289 VanDerWaalsContact O-CB 3.32Å; L285-R289 WeakPolarHBondContact O-CB 3.23Å; L285-R289 PolarHBondContact O-N 2.04Å; L285-W371 HydrophobicContact CD2-CH2 3.82Å; L285-W371 HydrophobicContact CD2-CZ3 3.79Å; L285-F381 HydrophobicContact CD1-CB 3.36Å; L285-F381 HydrophobicContact CD1-CD1 4.41Å; L285-F381 HydrophobicContact CD1-CD2 4.17Å; L285-F381 HydrophobicContact CD1-CG 3.73Å; L285-F381 HydrophobicContact CD2-CB 3.84Å; L285-F381 HydrophobicContact CD2-CD1 3.26Å; L285-F381 HydrophobicContact CD2-CD2 4.08Å; L285-F381 HydrophobicContact CD2-CE1 3.74Å; L285-F381 HydrophobicContact CD2-CG 3.43Å; L285-F381 VanDerWaalsContact CD2-CG 3.43Å; L285-F381 HydrophobicContact CD2-CZ 4.35Å; L285-F381 HydrophobicContact CG-CB 4.25Å; L285-F381 HydrophobicContact CG-CD1 4.46Å; L285-F381 HydrophobicContact CG-CG 4.22Å
286L84.9Confident79.9Confident114 Ų11473.9 Ų73.960%0.59737%0.372SS*.Hα-helixtrans-66.1-43.5176.2-69169.4000111.7D282 K283 E284 H288 R289 A290D282-L286 VanDerWaalsContact O-CG 3.31Å; D282-L286 WeakPolarHBondContact O-CG 3.43Å; D282-L286 PolarHBondContact O-N 2.74Å; K283-L286 PolarHBondContact O-N 2.86Å; E284-L286 PolarHBondContact O-N 3.45Å; L286-H288 PolarHBondContact O-N 2.84Å; L286-R289 PolarHBondContact O-N 2.91Å; L286-A290 WeakPolarHBondContact O-CB 3.36Å; L286-A290 PolarHBondContact O-N 3.44Å
287D89.2Confident79.2Confident86 Ų8670.6 Ų70.646%0.4636%0.358SS..Hα-helixtrans-62.7-42.1178-69.2-18.5000111.4K283 E284 R291K283-D287 WeakPolarHBondContact CE-OD2 3.3Å; K283-D287 WeakPolarHBondContact O-CB 3.45Å; K283-D287 VanDerWaalsContact O-CG 3.26Å; K283-D287 PolarHBondContact O-N 3.4Å; E284-D287 PolarHBondContact O-N 2.88Å; D287-R291 VanDerWaalsContact O-CB 3.27Å; D287-R291 WeakPolarHBondContact O-CB 3.43Å; D287-R291 PolarHBondContact O-N 3.4Å; D287-R291 VanDerWaalsContact O-N 3.14Å
288H87.5Confident78.8Confident26 Ų2669.6 Ų69.612%0.1236%0.355CS..Hα-helixtrans-67.7-39.6173.7-73.783000111.8E284 L286 R291 C292 D367 W371 F375E284-H288 WeakPolarHBondContact O-CB 3.23Å; E284-H288 PolarHBondContact O-N 3Å; E284-H288 PolarHBondContact O-ND1 3.38Å; L286-H288 PolarHBondContact O-N 2.84Å; H288-R291 PolarHBondContact CD2-NH2 3.32Å; H288-R291 PolarHBondContact NE2-NH2 3.19Å; H288-R291 PolarHBondContact O-N 3.11Å; H288-C292 WeakPolarHBondContact O-CB 3.07Å; H288-C292 PolarHBondContact O-N 3.28Å; H288-C292 PolarHBondContact O-SG 3.1Å; H288-D367 IonicContact CD2-OD2 2.67Å; H288-W371 HydrophobicContact CB-CD2 3.8Å; H288-W371 HydrophobicContact CB-CE3 3.84Å; H288-W371 HydrophobicContact CB-CG 4.28Å; H288-W371 HydrophobicContact CB-CH2 4.24Å; H288-W371 HydrophobicContact CB-CZ2 4.21Å; H288-W371 HydrophobicContact CB-CZ3 4.07Å; H288-W371 AromaticContact CD2-CD1 3.51Å; H288-W371 AromaticContact CD2-CD2 3.68Å; H288-W371 AromaticContact CD2-CE2 3.13Å; H288-W371 AromaticContact CD2-CG 3.87Å; H288-W371 AromaticContact CD2-CZ2 3.5Å; H288-W371 VanDerWaalsContact CD2-CZ2 3.5Å; H288-W371 WeakPolarHBondContact CD2-CZ2 3.47Å; H288-W371 AromaticContact CD2-NE1 3.06Å; H288-W371 PolarHBondContact CD2-NE1 2.57Å; H288-W371 AromaticContact CE1-CZ2 3.9Å; H288-W371 AromaticContact CG-CD2 3.86Å; H288-W371 AromaticContact CG-CE2 3.54Å; H288-W371 AromaticContact CG-CZ2 3.59Å; H288-W371 AromaticContact CG-NE1 3.94Å; H288-W371 AromaticContact ND1-CZ2 3.83Å; H288-W371 AromaticContact NE2-CE2 3.7Å; H288-W371 AromaticContact NE2-CZ2 3.73Å; H288-W371 AromaticContact NE2-NE1 3.51Å; H288-F375 HydrophobicContact CB-CE2 4.3Å; H288-F375 HydrophobicContact CB-CZ 4.1Å
289R85.7Confident78.7Confident149 Ų14971.6 Ų71.656%0.56236%0.362SS*.Hα-helixtrans-63.5-49.5178.5-169.7175.7-179.7172.61.4111.3L285 L286 R291 C292 I293 F375L285-R289 VanDerWaalsContact O-CB 3.32Å; L285-R289 WeakPolarHBondContact O-CB 3.23Å; L285-R289 PolarHBondContact O-N 2.04Å; L286-R289 PolarHBondContact O-N 2.91Å; R289-R291 VanDerWaalsContact C-N 3.3Å; R289-R291 PolarHBondContact O-N 3.11Å; R289-C292 PolarHBondContact O-N 2.99Å; R289-I293 CarbonylContact O-C 3.58Å; R289-I293 VanDerWaalsContact O-C 3.32Å; R289-I293 WeakPolarHBondContact O-CA 3.34Å; R289-I293 PolarHBondContact O-N 2.81Å; R289-F375 VanDerWaalsContact CA-CE2 3.43Å; R289-F375 HydrophobicContact CB-CE1 4.02Å; R289-F375 HydrophobicContact CB-CE2 3.9Å; R289-F375 HydrophobicContact CB-CZ 3.58Å; R289-F375 HydrophobicContact CG-CE1 4.37Å; R289-F375 HydrophobicContact CG-CE2 4.33Å; R289-F375 HydrophobicContact CG-CZ 4.24Å
290A86Confident78.7Confident69 Ų6974 Ų7457%0.5737%0.371SS*.Hα-helixtrans-61.6-36.6178.400000112.7L286L286-A290 WeakPolarHBondContact O-CB 3.36Å; L286-A290 PolarHBondContact O-N 3.44Å
291R86.1Confident78.5Confident115 Ų11578.1 Ų78.143%0.43440%0.397SS..Hα-helixtrans-75-37.8178.5179.8169.955103.6-8.1113.8D287 H288 R289 D367D287-R291 VanDerWaalsContact O-CB 3.27Å; D287-R291 WeakPolarHBondContact O-CB 3.43Å; D287-R291 PolarHBondContact O-N 3.4Å; D287-R291 VanDerWaalsContact O-N 3.14Å; H288-R291 PolarHBondContact CD2-NH2 3.32Å; H288-R291 PolarHBondContact NE2-NH2 3.19Å; H288-R291 PolarHBondContact O-N 3.11Å; R289-R291 VanDerWaalsContact C-N 3.3Å; R289-R291 PolarHBondContact O-N 3.11Å; R291-D367 IonicContact CZ-OD2 2.77Å; R291-D367 IonicContact NH1-OD2 2.7Å; R291-D367 PolarHBondContact NH1-OD2 2.73Å; R291-D367 IonicContact NH2-OD2 3.19Å; R291-D367 PolarHBondContact NH2-OD2 3.28Å
292C85.9Confident78.1Confident0 Ų077 Ų770%039%0.388CS..Hα-helixtrans-102.5-25-169.7-56.40000114H288 R289 R299 C368 W371H288-C292 WeakPolarHBondContact O-CB 3.07Å; H288-C292 PolarHBondContact O-N 3.28Å; H288-C292 PolarHBondContact O-SG 3.1Å; R289-C292 PolarHBondContact O-N 2.99Å; C292-R299 WeakPolarHBondContact O-CD 3.34Å; C292-C368 WeakPolarHBondContact CA-SG 3.3Å; C292-C368 HydrophobicContact CB-CB 3.48Å; C292-C368 VanDerWaalsContact CB-CB 3.48Å; C292-C368 WeakPolarHBondContact CB-SG 3.4Å; C292-C368 WeakPolarHBondContact SG-CA 3.48Å; C292-C368 WeakPolarHBondContact SG-CB 3.36Å; C292-C368 CovalentContact SG-SG 2.04Å; C292-C368 PolarHBondContact SG-SG 3.36Å; C292-W371 HydrophobicContact CB-CB 4.16Å
293I80Confident77.7Confident23 Ų2371.3 Ų71.312%0.11836%0.358CS..SBendtrans-129.672.8173.4-54.1-177.3000107.6R289 K300 V303 F375R289-I293 CarbonylContact O-C 3.58Å; R289-I293 VanDerWaalsContact O-C 3.32Å; R289-I293 WeakPolarHBondContact O-CA 3.34Å; R289-I293 PolarHBondContact O-N 2.81Å; I293-K300 HydrophobicContact CG2-CB 3.85Å; I293-K300 HydrophobicContact CG2-CD 4.41Å; I293-K300 HydrophobicContact CG2-CG 4.03Å; I293-V303 HydrophobicContact CD1-CB 4.35Å; I293-V303 HydrophobicContact CD1-CG1 3.97Å; I293-V303 HydrophobicContact CD1-CG2 4.07Å; I293-V303 HydrophobicContact CG1-CG2 4.42Å; I293-F375 HydrophobicContact CD1-CB 3.43Å; I293-F375 VanDerWaalsContact CD1-CB 3.43Å; I293-F375 HydrophobicContact CD1-CD2 3.75Å; I293-F375 HydrophobicContact CD1-CG 3.95Å; I293-F375 HydrophobicContact CG1-CD2 4.17Å
294D74.3Confident77.1Confident85 Ų8568.5 Ų68.546%0.45535%0.349SS..  trans-70.4138.1167.8175.132.5000109.8K296 S297 K300D294-K296 PolarHBondContact O-N 2.83Å; D294-S297 PolarHBondContact O-N 3.13Å; D294-S297 VanDerWaalsContact O-N 3.13Å; D294-S297 PolarHBondContact O-OG 2.85Å; D294-K300 WeakPolarHBondContact O-CB 3.45Å
295D66.2Low76.1Confident121 Ų12168.9 Ų68.965%0.64736%0.361SS*.THydrogen-bonded Turntrans-60.9-14.3-171.3-95.4-34000114.4K300D295-K300 IonicContact OD1-NZ 3.16Å; D295-K300 PolarHBondContact OD1-NZ 2.91Å
296K58.7Low75Confident198 Ų19868.4 Ų68.486%0.86136%0.359SS*.THydrogen-bonded Turntrans-118.411.5-176.9-62.4-176180178.60114.5D294D294-K296 PolarHBondContact O-N 2.83Å
297S66.9Low74Confident27 Ų2765.1 Ų65.119%0.18934%0.344CS..SBendtrans-102.4152.1-172.167.70000114.1D294 R299 K300 V301D294-S297 PolarHBondContact O-N 3.13Å; D294-S297 VanDerWaalsContact O-N 3.13Å; D294-S297 PolarHBondContact O-OG 2.85Å; S297-R299 PolarHBondContact O-N 3.21Å; S297-K300 WeakPolarHBondContact O-CB 3.4Å; S297-K300 PolarHBondContact O-N 2.91Å; S297-K300 PolarHBondContact OG-N 3.48Å; S297-V301 PolarHBondContact O-N 2.93Å
298G68.9Low72Confident29 Ų2963.3 Ų63.330%0.29935%0.346SS..Hα-helixtrans-58.5-24.6169.300000113.3K300 V301 L302G298-K300 VanDerWaalsContact C-N 3.34Å; G298-K300 PolarHBondContact O-N 3.32Å; G298-V301 PolarHBondContact O-N 2.88Å; G298-L302 WeakPolarHBondContact O-CB 3.26Å; G298-L302 PolarHBondContact O-N 2.91Å
299R76Confident70Confident48 Ų4868.1 Ų68.118%0.18137%0.367CS..Hα-helixtrans-57.8-44170.7-63.3176.8171.5-167.3-10.4111.7C292 S297 V303 P361 F362 D365C292-R299 WeakPolarHBondContact O-CD 3.34Å; S297-R299 PolarHBondContact O-N 3.21Å; R299-V303 WeakPolarHBondContact O-CG2 3.3Å; R299-V303 PolarHBondContact O-N 3.23Å; R299-P361 HydrophobicContact CG-CB 3.71Å; R299-P361 HydrophobicContact CG-CG 4.07Å; R299-P361 PolarHBondContact NE-O 3.1Å; R299-P361 PolarHBondContact NH2-O 3.08Å; R299-F362 HydrophobicContact CB-CE1 3.93Å; R299-F362 HydrophobicContact CB-CE2 4.42Å; R299-F362 HydrophobicContact CB-CZ 3.7Å; R299-F362 HydrophobicContact CG-CD1 4.12Å; R299-F362 HydrophobicContact CG-CE1 3.64Å; R299-F362 HydrophobicContact CG-CE2 4.39Å; R299-F362 HydrophobicContact CG-CZ 3.8Å; R299-D365 IonicContact CZ-OD2 3.19Å; R299-D365 IonicContact NH1-OD2 2.92Å; R299-D365 PolarHBondContact NH1-OD2 3.25Å; R299-D365 IonicContact NH2-OD2 2.57Å; R299-D365 PolarHBondContact NH2-OD2 3.41Å
300K75Confident68.1Low55 Ų5565.1 Ų65.124%0.23936%0.355CS..Hα-helixtrans-67.6-44.4176.5177.4173.9172.3-174.60111.7I293 D294 D295 S297 G298 L302 V303 D304I293-K300 HydrophobicContact CG2-CB 3.85Å; I293-K300 HydrophobicContact CG2-CD 4.41Å; I293-K300 HydrophobicContact CG2-CG 4.03Å; D294-K300 WeakPolarHBondContact O-CB 3.45Å; D295-K300 IonicContact OD1-NZ 3.16Å; D295-K300 PolarHBondContact OD1-NZ 2.91Å; S297-K300 WeakPolarHBondContact O-CB 3.4Å; S297-K300 PolarHBondContact O-N 2.91Å; S297-K300 PolarHBondContact OG-N 3.48Å; G298-K300 VanDerWaalsContact C-N 3.34Å; G298-K300 PolarHBondContact O-N 3.32Å; K300-L302 VanDerWaalsContact C-N 3.28Å; K300-L302 PolarHBondContact O-N 3.18Å; K300-V303 PolarHBondContact O-N 3.22Å; K300-D304 VanDerWaalsContact CE-OD2 3.24Å; K300-D304 WeakPolarHBondContact CE-OD2 3.36Å; K300-D304 VanDerWaalsContact CG-OD2 3.3Å; K300-D304 WeakPolarHBondContact CG-OD2 2.86Å; K300-D304 WeakPolarHBondContact O-CB 3.27Å; K300-D304 PolarHBondContact O-N 3.28Å
301V71.3Confident65.7Low100 Ų10066.6 Ų66.661%0.60636%0.358SS*.Hα-helixtrans-57.4-43.5176.8179.90000110.8S297 G298 A305S297-V301 PolarHBondContact O-N 2.93Å; G298-V301 PolarHBondContact O-N 2.88Å; V301-A305 WeakPolarHBondContact O-CB 3.49Å; V301-A305 PolarHBondContact O-N 3.47Å
302L68Low63.1Low22 Ų2264.4 Ų64.412%0.11535%0.354CS..Hα-helixtrans-62.1-52.8175179.459.9000111.8M31 G298 K300 D304 A305 T306 P361 F362M31-L302 HydrophobicContact CB-CD1 4.18Å; M31-L302 HydrophobicContact CG-CD1 4.43Å; M31-L302 HydrophobicContact SD-CD1 3.45Å; M31-L302 WeakPolarHBondContact SD-CD1 3.33Å; G298-L302 WeakPolarHBondContact O-CB 3.26Å; G298-L302 PolarHBondContact O-N 2.91Å; K300-L302 VanDerWaalsContact C-N 3.28Å; K300-L302 PolarHBondContact O-N 3.18Å; L302-D304 PolarHBondContact O-N 3.29Å; L302-A305 PolarHBondContact O-N 2.88Å; L302-T306 WeakPolarHBondContact O-CB 3.24Å; L302-T306 PolarHBondContact O-N 3.37Å; L302-T306 PolarHBondContact O-OG1 3.15Å; L302-P361 HydrophobicContact CB-CG 4.36Å; L302-P361 HydrophobicContact CD2-CG 3.68Å; L302-F362 HydrophobicContact CD2-CD2 4.37Å; L302-F362 HydrophobicContact CD2-CE2 4.05Å
303V71.1Confident60.4Low10 Ų1069.6 Ų69.66%0.06138%0.381CS..Hα-helixtrans-57.9-49.5179.7171.60000111.3I293 R299 K300 V307 F362 G372I293-V303 HydrophobicContact CD1-CB 4.35Å; I293-V303 HydrophobicContact CD1-CG1 3.97Å; I293-V303 HydrophobicContact CD1-CG2 4.07Å; I293-V303 HydrophobicContact CG1-CG2 4.42Å; R299-V303 WeakPolarHBondContact O-CG2 3.3Å; R299-V303 PolarHBondContact O-N 3.23Å; K300-V303 PolarHBondContact O-N 3.22Å; V303-V307 HydrophobicContact CG1-CG2 4.44Å; V303-V307 WeakPolarHBondContact O-CB 3.46Å; V303-V307 WeakPolarHBondContact O-CG2 3.26Å; V303-V307 PolarHBondContact O-N 3.41Å; V303-V307 VanDerWaalsContact O-N 3.11Å; V303-F362 HydrophobicContact CG2-CZ 4.49Å; V303-G372 WeakPolarHBondContact CG2-O 3.45Å
304D70.5Confident58Low87 Ų8772.3 Ų72.347%0.46540%0.396SS..Hα-helixtrans-66.6-42.5-179.2-72.3-18.1000111.8K300 L302 T306 G308K300-D304 VanDerWaalsContact CE-OD2 3.24Å; K300-D304 WeakPolarHBondContact CE-OD2 3.36Å; K300-D304 VanDerWaalsContact CG-OD2 3.3Å; K300-D304 WeakPolarHBondContact CG-OD2 2.86Å; K300-D304 WeakPolarHBondContact O-CB 3.27Å; K300-D304 PolarHBondContact O-N 3.28Å; L302-D304 PolarHBondContact O-N 3.29Å; D304-T306 PolarHBondContact O-N 3.43Å; D304-G308 WeakPolarHBondContact O-CA 3.47Å; D304-G308 PolarHBondContact O-N 2.94Å
305A62.7Low55.9Low60 Ų6072.7 Ų72.750%0.49640%0.397SS..Hα-helixtrans-65.1-38.6-179.600000112.5V301 L302V301-A305 WeakPolarHBondContact O-CB 3.49Å; V301-A305 PolarHBondContact O-N 3.47Å; L302-A305 PolarHBondContact O-N 2.88Å
306T59.9Low54Low12 Ų1273 Ų737%0.07439%0.394CS..Hα-helixtrans-88.1-24.9-173-380000113.8S24 M28 L302 D304S24-T306 WeakPolarHBondContact O-CG2 3.29Å; M28-T306 HydrophobicContact CB-CG2 3.37Å; M28-T306 HydrophobicContact CE-CG2 3.69Å; M28-T306 HydrophobicContact CG-CG2 3.76Å; L302-T306 WeakPolarHBondContact O-CB 3.24Å; L302-T306 PolarHBondContact O-N 3.37Å; L302-T306 PolarHBondContact O-OG1 3.15Å; D304-T306 PolarHBondContact O-N 3.43Å
307V63.8Low52.8Low45 Ų4570.5 Ų70.527%0.27339%0.386SS..Hα-helixtrans-90-19.1175.11740000112.2M28 V303 K309 R310 G376M28-V307 HydrophobicContact CE-CG2 3.69Å; V303-V307 HydrophobicContact CG1-CG2 4.44Å; V303-V307 WeakPolarHBondContact O-CB 3.46Å; V303-V307 WeakPolarHBondContact O-CG2 3.26Å; V303-V307 PolarHBondContact O-N 3.41Å; V303-V307 VanDerWaalsContact O-N 3.11Å; V307-K309 VanDerWaalsContact C-N 3.27Å; V307-K309 PolarHBondContact O-N 3.29Å; V307-R310 PolarHBondContact O-N 3.4Å; V307-G376 WeakPolarHBondContact CG1-O 2.94Å; V307-G376 VanDerWaalsContact CG2-C 3.44Å; V307-G376 VanDerWaalsContact CG2-CA 3.5Å; V307-G376 WeakPolarHBondContact CG2-O 3.38Å
308G47.6Very low51.1Low49 Ų4975.6 Ų75.651%0.50540%0.402SS..THydrogen-bonded Turntrans-64.732.3-141.500000121.8D304D304-G308 WeakPolarHBondContact O-CA 3.47Å; D304-G308 PolarHBondContact O-N 2.94Å
309K46.6Very low49.3Very low126 Ų12680.7 Ų80.755%0.54842%0.422SS..THydrogen-bonded Turntrans-166.426.8166.2-108.3150.9-171.4-164.70115.8V307 T311 D312V307-K309 VanDerWaalsContact C-N 3.27Å; V307-K309 PolarHBondContact O-N 3.29Å; K309-T311 PolarHBondContact O-N 2.66Å; K309-D312 PolarHBondContact O-N 3.25Å
310R44.3Very low47Very low86 Ų8682.7 Ų82.733%0.32546%0.458SS..Hα-helixtrans-67.3-1.7-177-136.7178-170.5169.98.8115.6V307V307-R310 PolarHBondContact O-N 3.4Å
311T36Very low44.7Very low101 Ų10190.6 Ų90.662%0.6249%0.486SS*.Hα-helixtrans-70.8-33.317035.50000113.8K309 I315K309-T311 PolarHBondContact O-N 2.66Å; T311-I315 VanDerWaalsContact O-CD1 3.23Å; T311-I315 WeakPolarHBondContact O-CD1 3.41Å; T311-I315 WeakPolarHBondContact O-CG1 3.49Å
312D31.6Very low42.5Very low68 Ų6893.9 Ų93.936%0.36449%0.492SS..Hα-helixtrans-88-23.9-166.3-63.7-18.2000114K309K309-D312 PolarHBondContact O-N 3.25Å
313L29.3Very low40.7Very low109 Ų10995.7 Ų95.757%0.57151%0.505SS*.Hα-helixtrans-87.8-38.5-175.1-71.8169.8000113.6I315 H316L313-I315 VanDerWaalsContact C-N 3.25Å; L313-I315 PolarHBondContact O-N 2.81Å; L313-H316 WeakPolarHBondContact O-CB 3.5Å; L313-H316 PolarHBondContact O-N 2.77Å; L313-H316 VanDerWaalsContact O-N 3.09Å
314L29.7Very low38.7Very low80 Ų8097.9 Ų97.942%0.41952%0.516SS..Hα-helixtrans-72.3-17.7179-74.9169.4000113.5
315I30.8Very low36.9Very low93 Ų9397 Ų9748%0.47751%0.511SS..THydrogen-bonded Turntrans-71.9-22.5171.7-65.3174.2000110.9T311 L313 P323T311-I315 VanDerWaalsContact O-CD1 3.23Å; T311-I315 WeakPolarHBondContact O-CD1 3.41Å; T311-I315 WeakPolarHBondContact O-CG1 3.49Å; L313-I315 VanDerWaalsContact C-N 3.25Å; L313-I315 PolarHBondContact O-N 2.81Å; I315-P323 HydrophobicContact CG2-CG 4.41Å
316H26.4Very low35.7Very low129 Ų12997.4 Ų97.460%0.59751%0.508SS*.SBendtrans-83.3-17.7-170.9-114.7-69.7000115.2L313L313-H316 WeakPolarHBondContact O-CB 3.5Å; L313-H316 PolarHBondContact O-N 2.77Å; L313-H316 VanDerWaalsContact O-N 3.09Å
317E32.2Very low34.3Very low145 Ų145102.2 Ų102.268%0.67854%0.537SS*.SBendtrans-80.5-19.6-178.7-86.5-161.2133.100114.9
318Y32.5Very low32.9Very low134 Ų134103.1 Ų103.153%0.52555%0.545SS..SBendtrans-116.2108.2-177.8-81.4-93.5000112.8
319N29.1Very low32.2Very low136 Ų136105 Ų10573%0.72756%0.555SS**SBendtrans77.159.1162.3-54.1-32.4000118.3R321N319-R321 PolarHBondContact O-N 3.35Å
320G28.6Very low31.4Very low90 Ų90106.1 Ų106.193%0.92857%0.573SS**SBend53.414.712900000119.8
321R26.5Very low30.8Very low221 Ų221109 Ų10983%0.83460%0.6SS**  trans-124.6155.5179.2-72.4-174.3172.5-176.7-2.6108N319 P323N319-R321 PolarHBondContact O-N 3.35Å; R321-P323 WeakPolarHBondContact O-CD 3.28Å
322K25.4Very low30.5Very low169 Ų169108.7 Ų108.774%0.73560%0.602SS**  trans-9891.8178.3-80.9-176.8166-179.90107.6R343K322-R343 VanDerWaalsContact CA-NH2 3.31Å; K322-R343 VanDerWaalsContact CB-CZ 3.5Å
323P30.7Very low30.8Very low60 Ų60113.4 Ų113.439%0.3963%0.626SS.*  trans-94.7174.3176.542.1-39.5000109.4I315 R321 R343I315-P323 HydrophobicContact CG2-CG 4.41Å; R321-P323 WeakPolarHBondContact O-CD 3.28Å; P323-R343 PolarHBondContact O-NE 2.98Å; P323-R343 PolarHBondContact O-NH2 2.98Å
324D28.9Very low30.8Very low55 Ų55116.9 Ų116.929%0.29464%0.637SS.*  -149.3107.6-126.9-125.3-106000102.3C341 P342 R343D324-C341 CarbonylContact C-O 3.6Å; D324-C341 WeakPolarHBondContact CB-O 3.46Å; D324-C341 CarbonylContact O-C 3.58Å; D324-C341 WeakPolarHBondContact O-CA 3.39Å; D324-C341 WeakPolarHBondContact O-CB 3.49Å; D324-P342 VanDerWaalsContact C-CA 3.4Å; D324-P342 CarbonylContact C-O 3.58Å; D324-P342 VanDerWaalsContact C-O 3.25Å; D324-P342 VanDerWaalsContact CB-CA 3.46Å; D324-P342 CarbonylContact O-C 3.59Å; D324-P342 VanDerWaalsContact O-N 3.13Å; D324-P342 VanDerWaalsContact OD1-CA 3.3Å; D324-P342 WeakPolarHBondContact OD1-CA 3.45Å; D324-R343 VanDerWaalsContact C-N 3.32Å; D324-R343 HydrophobicContact CB-CB 4.3Å; D324-R343 HydrophobicContact CB-CG 4.49Å; D324-R343 VanDerWaalsContact CG-CB 3.45Å; D324-R343 WeakPolarHBondContact OD1-CB 3.38Å; D324-R343 PolarHBondContact OD1-N 2.87Å; D324-R343 WeakPolarHBondContact OD2-CB 3.4Å; D324-R343 WeakPolarHBondContact OD2-CD 3.44Å; D324-R343 WeakPolarHBondContact OD2-CG 3.15Å; D324-R343 IonicContact OD2-NE 3.39Å; D324-R343 PolarHBondContact OD2-NE 2.79Å
325I32Very low30.8Very low70 Ų70117.3 Ų117.336%0.35966%0.661SS.*  trans-127.7102.6-153.9-50.7163.6000112.7P342 Q344I325-P342 CarbonylContact C-O 3.48Å; I325-P342 WeakPolarHBondContact CA-O 3.34Å; I325-P342 PolarHBondContact N-O 3.08Å; I325-Q344 PolarHBondContact O-N 3.34Å
326T37.6Very low30.8Very low68 Ų68117.4 Ų117.442%0.41768%0.676SS.*BIsolated β-bridgetrans-174-15.9148.615.40000115.8C328 P342 Q344T326-C328 PolarHBondContact O-N 3.43Å; T326-C328 VanDerWaalsContact O-N 3.14Å; T326-P342 PolarHBondContact N-O 3.41Å; T326-P342 PolarHBondContact OG1-O 3.34Å; T326-Q344 HydrophobicContact CG2-CB 3.78Å; T326-Q344 HydrophobicContact CG2-CG 4.06Å; T326-Q344 WeakPolarHBondContact OG1-CB 3.5Å; T326-Q344 WeakPolarHBondContact OG1-CG 3.29Å; T326-Q344 PolarHBondContact OG1-NE2 3.03Å; T326-Q344 VanDerWaalsContact OG1-NE2 3.1Å
327T30.7Very low30.8Very low113 Ų113119.8 Ų119.869%0.69369%0.687SS**SBendtrans-78.523.2161.757.20000112P342T327-P342 WeakPolarHBondContact OG1-CD 3.43Å
328C34.4Very low30.7Very low64 Ų64118.5 Ų118.543%0.43269%0.694SS.*  trans-121.128.5-150.5-138.70000115.5T326 C341T326-C328 PolarHBondContact O-N 3.43Å; T326-C328 VanDerWaalsContact O-N 3.14Å; C328-C341 WeakPolarHBondContact CA-SG 3.47Å; C328-C341 HydrophobicContact CB-CB 3.48Å; C328-C341 VanDerWaalsContact CB-CB 3.48Å; C328-C341 WeakPolarHBondContact CB-SG 3.24Å; C328-C341 WeakPolarHBondContact SG-CB 3.15Å; C328-C341 CovalentContact SG-SG 2.03Å; C328-C341 PolarHBondContact SG-SG 2.92Å
329A33Very low30.4Very low88 Ų88117.4 Ų117.473%0.72771%0.706SS**  trans-144.480.8-173.600000114.1
330T30Very low30.5Very low149 Ų149114.7 Ų114.791%0.91471%0.71SS**  trans-155.277.7150.713.90000109.4S332T330-S332 PolarHBondContact O-N 3.2Å
331V31.6Very low30.4Very low147 Ų147112 Ų11289%0.89168%0.677SS**  trans-81.2114.3175.3-179.70000108.7
332S30.7Very low30.4Very low95 Ų95104.9 Ų104.966%0.66466%0.659SS**  trans-103.2154.5169.185.80000110.8T330 F334T330-S332 PolarHBondContact O-N 3.2Å; S332-F334 PolarHBondContact O-N 2.77Å; S332-F334 VanDerWaalsContact O-N 3.07Å
333L35.9Very low30.6Very low167 Ų167101.6 Ų101.687%0.87464%0.642SS**SBendtrans-754.5-161.2-109.3143.8000116.4
334F31Very low30.3Very low181 Ų181104.3 Ų104.379%0.79465%0.65SS**SBendtrans-127.2125.4178.3-64.8-78.3000110.2S332 A336S332-F334 PolarHBondContact O-N 2.77Å; S332-F334 VanDerWaalsContact O-N 3.07Å; F334-A336 PolarHBondContact O-N 3.33Å
335G28.6Very low30.3Very low90 Ų90107.1 Ų107.193%0.92867%0.673SS**  trans-67.6125.8-164.800000114.5
336A30.3Very low30.1Very low95 Ų95107.6 Ų107.679%0.78568%0.68SS**  trans-138.3151.6158.100000108.4F334 S338F334-A336 PolarHBondContact O-N 3.33Å; A336-S338 PolarHBondContact O-N 3.26Å
337E26.7Very low29.7Very low178 Ų178114.1 Ų114.183%0.83270%0.703SS**  trans-70.3122.7-163.1-60.9178.7139.300113.4
338S30.9Very low29.6Very low118 Ų118117.5 Ų117.583%0.82571%0.708SS**  trans-93109.7176.463.10000112A336A336-S338 PolarHBondContact O-N 3.26Å
339S26.9Very low29.4Very low111 Ų111119.3 Ų119.378%0.77672%0.721SS**  trans-66.5140.8164.453.70000111.3
340G29.6Very low29.6Very low79 Ų79123.6 Ų123.681%0.81472%0.718SS**  trans-62.7158.3-168.700000116.9
341C26.6Very low29.8Very low35 Ų35120.5 Ų120.524%0.23670%0.703CS.*  trans-105.1166.6-169.2-55.10000114.2D324 C328D324-C341 CarbonylContact C-O 3.6Å; D324-C341 WeakPolarHBondContact CB-O 3.46Å; D324-C341 CarbonylContact O-C 3.58Å; D324-C341 WeakPolarHBondContact O-CA 3.39Å; D324-C341 WeakPolarHBondContact O-CB 3.49Å; C328-C341 WeakPolarHBondContact CA-SG 3.47Å; C328-C341 HydrophobicContact CB-CB 3.48Å; C328-C341 VanDerWaalsContact CB-CB 3.48Å; C328-C341 WeakPolarHBondContact CB-SG 3.24Å; C328-C341 WeakPolarHBondContact SG-CB 3.15Å; C328-C341 CovalentContact SG-SG 2.03Å; C328-C341 PolarHBondContact SG-SG 2.92Å
342P27.6Very low29.9Very low71 Ų71120.4 Ų120.446%0.46170%0.698SS.*  trans-113.3152.9171.2-3.427.9000119.1D324 I325 T326 T327D324-P342 VanDerWaalsContact C-CA 3.4Å; D324-P342 CarbonylContact C-O 3.58Å; D324-P342 VanDerWaalsContact C-O 3.25Å; D324-P342 VanDerWaalsContact CB-CA 3.46Å; D324-P342 CarbonylContact O-C 3.59Å; D324-P342 VanDerWaalsContact O-N 3.13Å; D324-P342 VanDerWaalsContact OD1-CA 3.3Å; D324-P342 WeakPolarHBondContact OD1-CA 3.45Å; I325-P342 CarbonylContact C-O 3.48Å; I325-P342 WeakPolarHBondContact CA-O 3.34Å; I325-P342 PolarHBondContact N-O 3.08Å; T326-P342 PolarHBondContact N-O 3.41Å; T326-P342 PolarHBondContact OG1-O 3.34Å; T327-P342 WeakPolarHBondContact OG1-CD 3.43Å
343R27.9Very low30.3Very low99 Ų99122.1 Ų122.137%0.37470%0.698SS.*BIsolated β-bridgetrans-71.7134.8-161.7-123.2159.7-141-142-17.3118K322 P323 D324K322-R343 VanDerWaalsContact CA-NH2 3.31Å; K322-R343 VanDerWaalsContact CB-CZ 3.5Å; P323-R343 PolarHBondContact O-NE 2.98Å; P323-R343 PolarHBondContact O-NH2 2.98Å; D324-R343 VanDerWaalsContact C-N 3.32Å; D324-R343 HydrophobicContact CB-CB 4.3Å; D324-R343 HydrophobicContact CB-CG 4.49Å; D324-R343 VanDerWaalsContact CG-CB 3.45Å; D324-R343 WeakPolarHBondContact OD1-CB 3.38Å; D324-R343 PolarHBondContact OD1-N 2.87Å; D324-R343 WeakPolarHBondContact OD2-CB 3.4Å; D324-R343 WeakPolarHBondContact OD2-CD 3.44Å; D324-R343 WeakPolarHBondContact OD2-CG 3.15Å; D324-R343 IonicContact OD2-NE 3.39Å; D324-R343 PolarHBondContact OD2-NE 2.79Å
344Q25.5Very low30.3Very low118 Ų118122.8 Ų122.855%0.55170%0.697SS**  trans-124108.6150-78.8174.13600112.7I325 T326 T346I325-Q344 PolarHBondContact O-N 3.34Å; T326-Q344 HydrophobicContact CG2-CB 3.78Å; T326-Q344 HydrophobicContact CG2-CG 4.06Å; T326-Q344 WeakPolarHBondContact OG1-CB 3.5Å; T326-Q344 WeakPolarHBondContact OG1-CG 3.29Å; T326-Q344 PolarHBondContact OG1-NE2 3.03Å; T326-Q344 VanDerWaalsContact OG1-NE2 3.1Å; Q344-T346 HydrophobicContact CB-CG2 4.37Å; Q344-T346 PolarHBondContact O-N 2.83Å
345S29.4Very low31Very low113 Ų113118.1 Ų118.179%0.7968%0.679SS**  trans-68.590.1161.550.60000110.3F347S345-F347 VanDerWaalsContact C-N 3.32Å; S345-F347 PolarHBondContact O-N 3.11Å
346T26.8Very low31.8Very low81 Ų81117.8 Ų117.850%0.49766%0.663SS.*  trans-93.261.8172.453.80000112.3Q344 K348Q344-T346 HydrophobicContact CB-CG2 4.37Å; Q344-T346 PolarHBondContact O-N 2.83Å; T346-K348 PolarHBondContact O-N 2.81Å
347F28.6Very low32.7Very low204 Ų204119.5 Ų119.590%0.89566%0.657SS**  trans-7072.2152.7-105-87.3000108.4S345 S349S345-F347 VanDerWaalsContact C-N 3.32Å; S345-F347 PolarHBondContact O-N 3.11Å; F347-S349 PolarHBondContact O-N 2.63Å
348K29Very low33.9Very low185 Ų185117 Ų11780%0.80465%0.646SS**  trans-61.7127.1152.1-81.6-169.8174.4-176.20105.6T346 R350T346-K348 PolarHBondContact O-N 2.81Å; K348-R350 PolarHBondContact O-N 3.19Å
349S31.6Very low35.4Very low101 Ų101116.6 Ų116.671%0.70664%0.64SS**  trans-50.7139.3170.645.60000108.4F347 S351F347-S349 PolarHBondContact O-N 2.63Å; S349-S351 PolarHBondContact O-N 3.34Å
350R36.6Very low37.3Very low178 Ų178111.7 Ų111.767%0.67261%0.605SS**  trans-60100.2157.8-77.5176.5168.6168.9-7.9105.6K348 D352K348-R350 PolarHBondContact O-N 3.19Å; R350-D352 PolarHBondContact O-N 2.9Å
351S33.2Very low39.2Very low85 Ų85109.7 Ų109.759%0.59458%0.578SS**  trans-53.7126.9132.251.50000104.8S349 I353S349-S351 PolarHBondContact O-N 3.34Å; S351-I353 PolarHBondContact O-N 3.36Å
352D34.3Very low41.6Very low145 Ų145108 Ų10878%0.77557%0.567SS**  trans-59.795.6162.2-65.3-56.5000105.7R350 E354R350-D352 PolarHBondContact O-N 2.9Å; D352-E354 PolarHBondContact O-N 3.26Å
353I40.2Very low43.8Very low131 Ų131107.7 Ų107.767%0.67256%0.563SS**  trans-63.697.1155-57.4176.7000101.3S351 I355S351-I353 PolarHBondContact O-N 3.36Å; I353-I355 HydrophobicContact CB-CG1 4.43Å; I353-I355 HydrophobicContact CG2-CG1 3.83Å; I353-I355 PolarHBondContact O-N 2.6Å
354E35.2Very low46.2Very low181 Ų181110.8 Ų110.885%0.84659%0.587SS**  trans-52.293.4148.3-74.7-171.1141.900104.4D352 S356D352-E354 PolarHBondContact O-N 3.26Å; E354-S356 PolarHBondContact O-N 2.86Å
355I45.4Very low49Very low82 Ų82107.1 Ų107.142%0.42157%0.571SS.*  trans-65.790.9162-61.2173.8000101.3M31 I353 I357M31-I355 HydrophobicContact CE-CB 4.36Å; M31-I355 HydrophobicContact CE-CD1 3.77Å; M31-I355 HydrophobicContact CE-CG2 3.97Å; I353-I355 HydrophobicContact CB-CG1 4.43Å; I353-I355 HydrophobicContact CG2-CG1 3.83Å; I353-I355 PolarHBondContact O-N 2.6Å; I355-I357 PolarHBondContact O-N 3.44Å
356S44.4Very low51.4Low84 Ų84106.4 Ų106.459%0.58756%0.558SS**  trans-46.3117.6161.551.20000104.1E354 E358E354-S356 PolarHBondContact O-N 2.86Å; S356-E358 PolarHBondContact O-N 2.9Å
357I49.1Very low54.2Low130 Ų130105.5 Ų105.567%0.66755%0.551SS**  trans-69.982.5-179-55.5174.3000105.5I355I355-I357 PolarHBondContact O-N 3.44Å
358E53.1Low56.9Low127 Ų12795.8 Ų95.859%0.59351%0.508SS*.  trans-54.7135163.9-69.2-167.2157.800106S356 D360S356-E358 PolarHBondContact O-N 2.9Å; E358-D360 PolarHBondContact O-N 2.87Å
359P63.3Low59.3Low109 Ų10988.5 Ų88.571%0.70848%0.475SS*.  trans-54.2136.4178.224-33.7000108.7
360D65.4Low61.8Low8 Ų886.7 Ų86.74%0.04345%0.453CS..  trans-42.1117.2-171.7151.341.4000110.5E358 F362 V363 R369E358-D360 PolarHBondContact O-N 2.87Å; D360-F362 PolarHBondContact O-N 3.32Å; D360-F362 WeakPolarHBondContact OD1-CA 3.44Å; D360-F362 WeakPolarHBondContact OD1-CB 3.38Å; D360-F362 WeakPolarHBondContact OD1-CD2 3.34Å; D360-F362 PolarHBondContact OD1-N 3.09Å; D360-V363 HydrophobicContact CB-CG2 3.71Å; D360-V363 WeakPolarHBondContact O-CB 3.45Å; D360-V363 WeakPolarHBondContact O-CG2 3.35Å; D360-V363 PolarHBondContact O-N 2.84Å; D360-V363 WeakPolarHBondContact OD2-CA 3.21Å; D360-V363 PolarHBondContact OD2-N 2.84Å; D360-R369 IonicContact OD2-CZ 3.95Å; D360-R369 IonicContact OD2-NE 3.08Å; D360-R369 PolarHBondContact OD2-NE 3.14Å; D360-R369 IonicContact OD2-NH2 2.7Å; D360-R369 PolarHBondContact OD2-NH2 3.36Å
361P69.6Low64Low37 Ų3778.3 Ų78.324%0.2442%0.422CS..THydrogen-bonded Turntrans-71.22-171.332.1-37.5000112.4R299 L302R299-P361 HydrophobicContact CG-CB 3.71Å; R299-P361 HydrophobicContact CG-CG 4.07Å; R299-P361 PolarHBondContact NE-O 3.1Å; R299-P361 PolarHBondContact NH2-O 3.08Å; L302-P361 HydrophobicContact CB-CG 4.36Å; L302-P361 HydrophobicContact CD2-CG 3.68Å
362F76.8Confident66.3Low0 Ų074.3 Ų74.30%039%0.393CS..THydrogen-bonded Turntrans-113.812171.9-48.3-82.6000114F32 R299 L302 V303 D360 N364 D365 C368 R369F32-F362 HydrophobicContact CD1-CD2 4.27Å; F32-F362 AromaticContact CE1-CD2 3.47Å; F32-F362 HydrophobicContact CE1-CD2 3.47Å; F32-F362 VanDerWaalsContact CE1-CD2 3.47Å; F32-F362 AromaticContact CE1-CE2 3.74Å; F32-F362 HydrophobicContact CE1-CE2 3.74Å; F32-F362 HydrophobicContact CE1-CG 4.36Å; F32-F362 HydrophobicContact CZ-CD2 4.22Å; F32-F362 HydrophobicContact CZ-CE2 4.02Å; R299-F362 HydrophobicContact CB-CE1 3.93Å; R299-F362 HydrophobicContact CB-CE2 4.42Å; R299-F362 HydrophobicContact CB-CZ 3.7Å; R299-F362 HydrophobicContact CG-CD1 4.12Å; R299-F362 HydrophobicContact CG-CE1 3.64Å; R299-F362 HydrophobicContact CG-CE2 4.39Å; R299-F362 HydrophobicContact CG-CZ 3.8Å; L302-F362 HydrophobicContact CD2-CD2 4.37Å; L302-F362 HydrophobicContact CD2-CE2 4.05Å; V303-F362 HydrophobicContact CG2-CZ 4.49Å; D360-F362 PolarHBondContact O-N 3.32Å; D360-F362 WeakPolarHBondContact OD1-CA 3.44Å; D360-F362 WeakPolarHBondContact OD1-CB 3.38Å; D360-F362 WeakPolarHBondContact OD1-CD2 3.34Å; D360-F362 PolarHBondContact OD1-N 3.09Å; F362-N364 PolarHBondContact O-N 3.44Å; F362-D365 PolarHBondContact O-N 3.31Å; F362-C368 HydrophobicContact CD1-CB 3.85Å; F362-C368 VanDerWaalsContact CD1-O 3.3Å; F362-C368 WeakPolarHBondContact CD1-O 3.29Å; F362-C368 HydrophobicContact CE1-CB 4.06Å; F362-C368 WeakPolarHBondContact CE1-O 3.23Å; F362-R369 HydrophobicContact CB-CB 3.63Å; F362-R369 HydrophobicContact CB-CG 3.98Å; F362-R369 HydrophobicContact CG-CB 4.18Å
363V73.9Confident68.4Low64 Ų6467.5 Ų67.539%0.38836%0.357SS..THydrogen-bonded Turntrans-45.7-41.8-175.7160.90000113.7D360 R369D360-V363 HydrophobicContact CB-CG2 3.71Å; D360-V363 WeakPolarHBondContact O-CB 3.45Å; D360-V363 WeakPolarHBondContact O-CG2 3.35Å; D360-V363 PolarHBondContact O-N 2.84Å; D360-V363 WeakPolarHBondContact OD2-CA 3.21Å; D360-V363 PolarHBondContact OD2-N 2.84Å; V363-R369 VanDerWaalsContact CA-NH2 3.34Å; V363-R369 PolarHBondContact O-NH2 3.31Å
364N79.2Confident70.3Confident164 Ų16461.2 Ų61.288%0.87733%0.325SS*.THydrogen-bonded Turntrans-105.513.1-175.3-61.6-46.7000114.2F362F362-N364 PolarHBondContact O-N 3.44Å
365D84.2Confident72.4Confident40 Ų4054.3 Ų54.321%0.21429%0.292CS..  trans-14573.6-168.1-171.4-8.9000110.8R299 F362 D367 C368 R369R299-D365 IonicContact CZ-OD2 3.19Å; R299-D365 IonicContact NH1-OD2 2.92Å; R299-D365 PolarHBondContact NH1-OD2 3.25Å; R299-D365 IonicContact NH2-OD2 2.57Å; R299-D365 PolarHBondContact NH2-OD2 3.41Å; F362-D365 PolarHBondContact O-N 3.31Å; D365-D367 PolarHBondContact O-N 2.9Å; D365-C368 HydrophobicContact CB-CB 4.45Å; D365-C368 VanDerWaalsContact CG-CB 3.47Å; D365-C368 PolarHBondContact O-N 3.06Å; D365-C368 WeakPolarHBondContact OD1-CB 3.48Å; D365-C368 PolarHBondContact OD1-N 2.99Å; D365-C368 VanDerWaalsContact OD2-CB 3.3Å; D365-C368 WeakPolarHBondContact OD2-CB 3.38Å; D365-C368 PolarHBondContact OD2-SG 2.03Å; D365-R369 WeakPolarHBondContact O-CB 3.25Å; D365-R369 PolarHBondContact O-N 2.88Å
366D80Confident73.7Confident99 Ų9950.7 Ų50.753%0.52928%0.275SS..Hα-helixtrans-58.2-29.7-178.8-81.1-41.3000113.9R369 R370D366-R369 WeakPolarHBondContact O-CB 3.09Å; D366-R369 IonicContact OD1-CZ 3.98Å; D366-R369 IonicContact OD1-NH1 3.27Å; D366-R369 PolarHBondContact OD1-NH1 2.93Å; D366-R370 WeakPolarHBondContact O-CD 3.35Å; D366-R370 VanDerWaalsContact O-CG 3.32Å; D366-R370 WeakPolarHBondContact O-CG 3.36Å; D366-R370 PolarHBondContact O-N 3.14Å
367D84.8Confident75.2Confident62 Ų6247.8 Ų47.833%0.33225%0.252SS..Hα-helixtrans-68.8-55.4176.1-175.353.6000109.6H288 R291 D365 R369 R370 W371H288-D367 IonicContact CD2-OD2 2.67Å; R291-D367 IonicContact CZ-OD2 2.77Å; R291-D367 IonicContact NH1-OD2 2.7Å; R291-D367 PolarHBondContact NH1-OD2 2.73Å; R291-D367 IonicContact NH2-OD2 3.19Å; R291-D367 PolarHBondContact NH2-OD2 3.28Å; D365-D367 PolarHBondContact O-N 2.9Å; D367-R369 VanDerWaalsContact C-N 3.26Å; D367-R369 PolarHBondContact O-N 3.43Å; D367-R370 PolarHBondContact O-N 3.1Å; D367-R370 VanDerWaalsContact O-N 3.16Å; D367-W371 PolarHBondContact O-N 2.86Å; D367-W371 VanDerWaalsContact OD1-CD1 3.24Å; D367-W371 PolarHBondContact OD1-NE1 3.2Å
368C85.9Confident76.3Confident0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-66.9-24.1175.2-73.20000114.3C292 F362 D365 G372C292-C368 WeakPolarHBondContact CA-SG 3.3Å; C292-C368 HydrophobicContact CB-CB 3.48Å; C292-C368 VanDerWaalsContact CB-CB 3.48Å; C292-C368 WeakPolarHBondContact CB-SG 3.4Å; C292-C368 WeakPolarHBondContact SG-CA 3.48Å; C292-C368 WeakPolarHBondContact SG-CB 3.36Å; C292-C368 CovalentContact SG-SG 2.04Å; C292-C368 PolarHBondContact SG-SG 3.36Å; F362-C368 HydrophobicContact CD1-CB 3.85Å; F362-C368 VanDerWaalsContact CD1-O 3.3Å; F362-C368 WeakPolarHBondContact CD1-O 3.29Å; F362-C368 HydrophobicContact CE1-CB 4.06Å; F362-C368 WeakPolarHBondContact CE1-O 3.23Å; D365-C368 HydrophobicContact CB-CB 4.45Å; D365-C368 VanDerWaalsContact CG-CB 3.47Å; D365-C368 PolarHBondContact O-N 3.06Å; D365-C368 WeakPolarHBondContact OD1-CB 3.48Å; D365-C368 PolarHBondContact OD1-N 2.99Å; D365-C368 VanDerWaalsContact OD2-CB 3.3Å; D365-C368 WeakPolarHBondContact OD2-CB 3.38Å; D365-C368 PolarHBondContact OD2-SG 2.03Å; C368-G372 WeakPolarHBondContact O-CA 3.28Å; C368-G372 PolarHBondContact O-N 3.29Å
369R80Confident77.3Confident31 Ų3141.3 Ų41.312%0.11722%0.223CC..Hα-helixtrans-56.1-51.8169.5-170.8178.7-87151.4-10.8110.4F32 D360 F362 V363 D365 D366 D367 M373F32-R369 HydrophobicContact CD1-CG 3.71Å; F32-R369 HydrophobicContact CE1-CG 3.78Å; D360-R369 IonicContact OD2-CZ 3.95Å; D360-R369 IonicContact OD2-NE 3.08Å; D360-R369 PolarHBondContact OD2-NE 3.14Å; D360-R369 IonicContact OD2-NH2 2.7Å; D360-R369 PolarHBondContact OD2-NH2 3.36Å; F362-R369 HydrophobicContact CB-CB 3.63Å; F362-R369 HydrophobicContact CB-CG 3.98Å; F362-R369 HydrophobicContact CG-CB 4.18Å; V363-R369 VanDerWaalsContact CA-NH2 3.34Å; V363-R369 PolarHBondContact O-NH2 3.31Å; D365-R369 WeakPolarHBondContact O-CB 3.25Å; D365-R369 PolarHBondContact O-N 2.88Å; D366-R369 WeakPolarHBondContact O-CB 3.09Å; D366-R369 IonicContact OD1-CZ 3.98Å; D366-R369 IonicContact OD1-NH1 3.27Å; D366-R369 PolarHBondContact OD1-NH1 2.93Å; D367-R369 VanDerWaalsContact C-N 3.26Å; D367-R369 PolarHBondContact O-N 3.43Å; R369-M373 WeakPolarHBondContact O-CB 3.17Å; R369-M373 PolarHBondContact O-N 2.93Å
370R82.5Confident77.5Confident63 Ų6337.5 Ų37.524%0.23820%0.199CC..Hα-helixtrans-67.9-44.9179-68.7163176.8-171-9.5112.1L242 E243 D366 D367 A374L242-R370 HydrophobicContact CD2-CB 4.35Å; E243-R370 IonicContact OE1-CZ 3.19Å; E243-R370 VanDerWaalsContact OE1-CZ 3.26Å; E243-R370 IonicContact OE1-NH1 2.71Å; E243-R370 PolarHBondContact OE1-NH1 3.31Å; E243-R370 IonicContact OE1-NH2 2.66Å; E243-R370 PolarHBondContact OE1-NH2 3.05Å; E243-R370 IonicContact OE2-NH1 3.56Å; D366-R370 WeakPolarHBondContact O-CD 3.35Å; D366-R370 VanDerWaalsContact O-CG 3.32Å; D366-R370 WeakPolarHBondContact O-CG 3.36Å; D366-R370 PolarHBondContact O-N 3.14Å; D367-R370 PolarHBondContact O-N 3.1Å; D367-R370 VanDerWaalsContact O-N 3.16Å; R370-A374 VanDerWaalsContact O-CB 3.27Å; R370-A374 WeakPolarHBondContact O-CB 3.35Å; R370-A374 PolarHBondContact O-N 2.68Å
371W83.3Confident77.5Confident3 Ų340 Ų401%0.01121%0.209CC..Hα-helixtrans-68.3-46-179.3-81.9100.4000113.4L242 Y280 L285 H288 C292 D367 M373 A374 F375 F381L242-W371 HydrophobicContact CD1-CD2 4.43Å; L242-W371 HydrophobicContact CD1-CE3 4.12Å; L242-W371 HydrophobicContact CD1-CH2 4.09Å; L242-W371 HydrophobicContact CD1-CZ2 4.4Å; L242-W371 HydrophobicContact CD1-CZ3 3.94Å; L242-W371 HydrophobicContact CD2-CD2 3.8Å; L242-W371 HydrophobicContact CD2-CE3 4.23Å; L242-W371 HydrophobicContact CD2-CG 4.06Å; L242-W371 HydrophobicContact CD2-CZ2 4.46Å; Y280-W371 AromaticContact CD1-CH2 3.8Å; Y280-W371 HydrophobicContact CD1-CH2 3.8Å; Y280-W371 AromaticContact CD1-CZ2 3.91Å; Y280-W371 HydrophobicContact CD1-CZ2 3.91Å; Y280-W371 AromaticContact CD2-CH2 3.95Å; Y280-W371 HydrophobicContact CD2-CH2 3.95Å; Y280-W371 AromaticContact CE1-CH2 3.64Å; Y280-W371 HydrophobicContact CE1-CH2 3.64Å; Y280-W371 AromaticContact CE1-CZ2 3.31Å; Y280-W371 HydrophobicContact CE1-CZ2 3.31Å; Y280-W371 AromaticContact CE2-CH2 3.8Å; Y280-W371 HydrophobicContact CE2-CH2 3.8Å; Y280-W371 HydrophobicContact CE2-CZ2 4.02Å; Y280-W371 AromaticContact CG-CH2 3.94Å; Y280-W371 HydrophobicContact CG-CH2 3.94Å; Y280-W371 HydrophobicContact CG-CZ2 4.46Å; Y280-W371 AromaticContact CZ-CH2 3.62Å; Y280-W371 AromaticContact CZ-CZ2 3.36Å; L285-W371 HydrophobicContact CD2-CH2 3.82Å; L285-W371 HydrophobicContact CD2-CZ3 3.79Å; H288-W371 HydrophobicContact CB-CD2 3.8Å; H288-W371 HydrophobicContact CB-CE3 3.84Å; H288-W371 HydrophobicContact CB-CG 4.28Å; H288-W371 HydrophobicContact CB-CH2 4.24Å; H288-W371 HydrophobicContact CB-CZ2 4.21Å; H288-W371 HydrophobicContact CB-CZ3 4.07Å; H288-W371 AromaticContact CD2-CD1 3.51Å; H288-W371 AromaticContact CD2-CD2 3.68Å; H288-W371 AromaticContact CD2-CE2 3.13Å; H288-W371 AromaticContact CD2-CG 3.87Å; H288-W371 AromaticContact CD2-CZ2 3.5Å; H288-W371 VanDerWaalsContact CD2-CZ2 3.5Å; H288-W371 WeakPolarHBondContact CD2-CZ2 3.47Å; H288-W371 AromaticContact CD2-NE1 3.06Å; H288-W371 PolarHBondContact CD2-NE1 2.57Å; H288-W371 AromaticContact CE1-CZ2 3.9Å; H288-W371 AromaticContact CG-CD2 3.86Å; H288-W371 AromaticContact CG-CE2 3.54Å; H288-W371 AromaticContact CG-CZ2 3.59Å; H288-W371 AromaticContact CG-NE1 3.94Å; H288-W371 AromaticContact ND1-CZ2 3.83Å; H288-W371 AromaticContact NE2-CE2 3.7Å; H288-W371 AromaticContact NE2-CZ2 3.73Å; H288-W371 AromaticContact NE2-NE1 3.51Å; C292-W371 HydrophobicContact CB-CB 4.16Å; D367-W371 PolarHBondContact O-N 2.86Å; D367-W371 VanDerWaalsContact OD1-CD1 3.24Å; D367-W371 PolarHBondContact OD1-NE1 3.2Å; W371-M373 VanDerWaalsContact C-N 3.27Å; W371-M373 PolarHBondContact O-N 2.78Å; W371-A374 PolarHBondContact O-N 3.29Å; W371-A374 VanDerWaalsContact O-N 3.16Å; W371-F375 HydrophobicContact CB-CD2 4.39Å; W371-F375 HydrophobicContact CB-CE2 4.06Å; W371-F375 HydrophobicContact CD2-CE2 4.43Å; W371-F375 HydrophobicContact CE3-CD2 4.49Å; W371-F375 HydrophobicContact CE3-CE1 4.14Å; W371-F375 AromaticContact CE3-CE2 3.7Å; W371-F375 HydrophobicContact CE3-CE2 3.7Å; W371-F375 AromaticContact CE3-CZ 3.48Å; W371-F375 HydrophobicContact CE3-CZ 3.48Å; W371-F375 VanDerWaalsContact CE3-CZ 3.48Å; W371-F375 HydrophobicContact CZ3-CE1 4.25Å; W371-F375 AromaticContact CZ3-CZ 3.84Å; W371-F375 HydrophobicContact CZ3-CZ 3.84Å; W371-F375 WeakPolarHBondContact O-CD2 3.4Å; W371-F375 WeakPolarHBondContact O-CG 3.23Å; W371-F375 PolarHBondContact O-N 2.71Å; W371-F381 HydrophobicContact CE3-CE1 4.39Å; W371-F381 HydrophobicContact CH2-CE1 4.34Å; W371-F381 HydrophobicContact CZ3-CD1 4.39Å; W371-F381 AromaticContact CZ3-CE1 3.62Å; W371-F381 HydrophobicContact CZ3-CE1 3.62Å; W371-F381 HydrophobicContact CZ3-CZ 4.12Å
372G80.7Confident77.2Confident0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-56.3-44.3176.800000111.3V303 C368 G376V303-G372 WeakPolarHBondContact CG2-O 3.45Å; C368-G372 WeakPolarHBondContact O-CA 3.28Å; C368-G372 PolarHBondContact O-N 3.29Å; G372-G376 PolarHBondContact O-N 3.07Å
373M78.9Confident76.3Confident2 Ų243.4 Ų43.41%0.0124%0.237CC..Hα-helixtrans-69.2-39.6175.1-169.4175.7175.900113.5M28 L29 F32 A82 L86 L241 R369 W371 G376 L377M28-M373 HydrophobicContact SD-CE 3.8Å; M28-M373 HydrophobicContact SD-CG 4.03Å; M28-M373 HydrophobicContact SD-SD 4.45Å; L29-M373 HydrophobicContact CD2-CE 4.48Å; F32-M373 HydrophobicContact CD2-SD 4.21Å; F32-M373 HydrophobicContact CE2-CB 4.15Å; F32-M373 HydrophobicContact CE2-CG 4.05Å; F32-M373 HydrophobicContact CE2-SD 3.93Å; F32-M373 HydrophobicContact CZ-CB 3.83Å; F32-M373 HydrophobicContact CZ-CG 4.26Å; F32-M373 HydrophobicContact CZ-SD 4.35Å; A82-M373 HydrophobicContact CB-CE 3.31Å; A82-M373 WeakPolarHBondContact O-CE 3.41Å; L86-M373 HydrophobicContact CB-CE 4.24Å; L86-M373 HydrophobicContact CD1-CE 3.97Å; L86-M373 HydrophobicContact CD1-SD 3.26Å; L86-M373 WeakPolarHBondContact CD1-SD 3.34Å; L241-M373 HydrophobicContact CD1-CB 3.79Å; L241-M373 HydrophobicContact CD1-CE 4.27Å; L241-M373 HydrophobicContact CD1-CG 3.53Å; L241-M373 HydrophobicContact CD1-SD 3.71Å; L241-M373 HydrophobicContact CD2-SD 4.44Å; R369-M373 WeakPolarHBondContact O-CB 3.17Å; R369-M373 PolarHBondContact O-N 2.93Å; W371-M373 VanDerWaalsContact C-N 3.27Å; W371-M373 PolarHBondContact O-N 2.78Å; M373-G376 CarbonylContact O-C 3.57Å; M373-G376 PolarHBondContact O-N 3.22Å; M373-L377 HydrophobicContact CE-CD1 4.28Å; M373-L377 HydrophobicContact CG-CD1 4.25Å; M373-L377 WeakPolarHBondContact O-CG 2.96Å; M373-L377 PolarHBondContact O-N 3.45Å
374A81.1Confident75.7Confident0 Ų043.6 Ų43.60%024%0.24CC..Hα-helixtrans-63.9-42.5176.300000112.8L242 R370 W371 G376 L377 N378 Y379L242-A374 HydrophobicContact CD1-CB 4.06Å; L242-A374 HydrophobicContact CD2-CB 4.02Å; L242-A374 HydrophobicContact CG-CB 4.07Å; R370-A374 VanDerWaalsContact O-CB 3.27Å; R370-A374 WeakPolarHBondContact O-CB 3.35Å; R370-A374 PolarHBondContact O-N 2.68Å; W371-A374 PolarHBondContact O-N 3.29Å; W371-A374 VanDerWaalsContact O-N 3.16Å; A374-G376 VanDerWaalsContact C-N 3.34Å; A374-L377 PolarHBondContact O-N 2.9Å; A374-N378 PolarHBondContact O-N 3.24Å; A374-Y379 HydrophobicContact CB-CD1 3.54Å; A374-Y379 HydrophobicContact CB-CE1 3.92Å; A374-Y379 HydrophobicContact CB-CG 4.11Å; A374-Y379 WeakPolarHBondContact O-CB 3.06Å; A374-Y379 PolarHBondContact O-N 3.21Å
375F78.6Confident75.1Confident35 Ų3537.3 Ų37.315%0.15420%0.204CC..Hα-helixtrans-62.2-43.4170.8-70.1-53000111.1H288 R289 I293 W371 L377 N378 F381H288-F375 HydrophobicContact CB-CE2 4.3Å; H288-F375 HydrophobicContact CB-CZ 4.1Å; R289-F375 VanDerWaalsContact CA-CE2 3.43Å; R289-F375 HydrophobicContact CB-CE1 4.02Å; R289-F375 HydrophobicContact CB-CE2 3.9Å; R289-F375 HydrophobicContact CB-CZ 3.58Å; R289-F375 HydrophobicContact CG-CE1 4.37Å; R289-F375 HydrophobicContact CG-CE2 4.33Å; R289-F375 HydrophobicContact CG-CZ 4.24Å; I293-F375 HydrophobicContact CD1-CB 3.43Å; I293-F375 VanDerWaalsContact CD1-CB 3.43Å; I293-F375 HydrophobicContact CD1-CD2 3.75Å; I293-F375 HydrophobicContact CD1-CG 3.95Å; I293-F375 HydrophobicContact CG1-CD2 4.17Å; W371-F375 HydrophobicContact CB-CD2 4.39Å; W371-F375 HydrophobicContact CB-CE2 4.06Å; W371-F375 HydrophobicContact CD2-CE2 4.43Å; W371-F375 HydrophobicContact CE3-CD2 4.49Å; W371-F375 HydrophobicContact CE3-CE1 4.14Å; W371-F375 AromaticContact CE3-CE2 3.7Å; W371-F375 HydrophobicContact CE3-CE2 3.7Å; W371-F375 AromaticContact CE3-CZ 3.48Å; W371-F375 HydrophobicContact CE3-CZ 3.48Å; W371-F375 VanDerWaalsContact CE3-CZ 3.48Å; W371-F375 HydrophobicContact CZ3-CE1 4.25Å; W371-F375 AromaticContact CZ3-CZ 3.84Å; W371-F375 HydrophobicContact CZ3-CZ 3.84Å; W371-F375 WeakPolarHBondContact O-CD2 3.4Å; W371-F375 WeakPolarHBondContact O-CG 3.23Å; W371-F375 PolarHBondContact O-N 2.71Å; F375-L377 PolarHBondContact O-N 3.28Å; F375-N378 PolarHBondContact O-N 3.12Å; F375-F381 HydrophobicContact CD1-CE2 4.08Å; F375-F381 AromaticContact CD1-CZ 3.89Å; F375-F381 HydrophobicContact CD1-CZ 3.89Å; F375-F381 HydrophobicContact CE1-CE2 4.03Å; F375-F381 AromaticContact CE1-CZ 3.79Å; F375-F381 HydrophobicContact CE1-CZ 3.79Å
376G73.3Confident74.3Confident6 Ų636.4 Ų36.46%0.06221%0.205CC..Hα-helixtrans-58.7-42.917500000113.4V307 G372 M373 A374 N378V307-G376 WeakPolarHBondContact CG1-O 2.94Å; V307-G376 VanDerWaalsContact CG2-C 3.44Å; V307-G376 VanDerWaalsContact CG2-CA 3.5Å; V307-G376 WeakPolarHBondContact CG2-O 3.38Å; G372-G376 PolarHBondContact O-N 3.07Å; M373-G376 CarbonylContact O-C 3.57Å; M373-G376 PolarHBondContact O-N 3.22Å; A374-G376 VanDerWaalsContact C-N 3.34Å; G376-N378 PolarHBondContact O-N 2.84Å; G376-N378 VanDerWaalsContact O-N 3.13Å
377L75.7Confident73.8Confident23 Ų2338.5 Ų38.512%0.1222%0.216CC..THydrogen-bonded Turntrans-72.8-0.9176.5-67.6173000113.7D83 L241 M373 A374 F375 Y379D83-L377 HydrophobicContact CB-CD1 3.53Å; L241-L377 HydrophobicContact CD1-CD1 4.03Å; M373-L377 HydrophobicContact CE-CD1 4.28Å; M373-L377 HydrophobicContact CG-CD1 4.25Å; M373-L377 WeakPolarHBondContact O-CG 2.96Å; M373-L377 PolarHBondContact O-N 3.45Å; A374-L377 PolarHBondContact O-N 2.9Å; F375-L377 PolarHBondContact O-N 3.28Å; L377-Y379 VanDerWaalsContact C-N 3.31Å; L377-Y379 HydrophobicContact CB-CD2 3.77Å; L377-Y379 HydrophobicContact CB-CE2 3.82Å; L377-Y379 HydrophobicContact CD1-CE2 3.97Å; L377-Y379 PolarHBondContact O-N 3.49Å
378N73.1Confident73.5Confident112 Ų11237.1 Ų37.160%0.59921%0.207SC*.THydrogen-bonded Turntrans53.548.5-177.2-164.414000111.8A374 F375 G376 K435A374-N378 PolarHBondContact O-N 3.24Å; F375-N378 PolarHBondContact O-N 3.12Å; G376-N378 PolarHBondContact O-N 2.84Å; G376-N378 VanDerWaalsContact O-N 3.13Å; N378-K435 PolarHBondContact O-NZ 3.03Å; N378-K435 VanDerWaalsContact O-NZ 3.08Å
379Y73.8Confident73.3Confident10 Ų1037.6 Ų37.64%0.03921%0.21CC..PPolyproline II helixtrans-55.7143.4172.5-84.7-164.1000111.1D83 Q239 L240 L241 L242 A374 L377 F381D83-Y379 VanDerWaalsContact CB-OH 3.25Å; D83-Y379 WeakPolarHBondContact CB-OH 3.06Å; D83-Y379 WeakPolarHBondContact OD2-CE2 3.34Å; D83-Y379 PolarHBondContact OD2-OH 3.37Å; Q239-Y379 HydrophobicContact CB-CD1 3.83Å; Q239-Y379 HydrophobicContact CB-CE1 3.96Å; Q239-Y379 HydrophobicContact CG-CD1 3.89Å; Q239-Y379 HydrophobicContact CG-CE1 4.49Å; L240-Y379 PolarHBondContact N-OH 3.17Å; L241-Y379 HydrophobicContact CB-CE1 4.1Å; L241-Y379 HydrophobicContact CG-CE1 4.36Å; L241-Y379 PolarHBondContact N-OH 2.65Å; L242-Y379 HydrophobicContact CD1-CD1 4.42Å; A374-Y379 HydrophobicContact CB-CD1 3.54Å; A374-Y379 HydrophobicContact CB-CE1 3.92Å; A374-Y379 HydrophobicContact CB-CG 4.11Å; A374-Y379 WeakPolarHBondContact O-CB 3.06Å; A374-Y379 PolarHBondContact O-N 3.21Å; L377-Y379 VanDerWaalsContact C-N 3.31Å; L377-Y379 HydrophobicContact CB-CD2 3.77Å; L377-Y379 HydrophobicContact CB-CE2 3.82Å; L377-Y379 HydrophobicContact CD1-CE2 3.97Å; L377-Y379 PolarHBondContact O-N 3.49Å; Y379-F381 WeakPolarHBondContact O-CE2 3.45Å
380S67.7Low73.2Confident29 Ų2940.8 Ų40.820%0.20323%0.234CC..PPolyproline II helixtrans-90.9128169.7-84.90000111.2Q239 K435Q239-S380 PolarHBondContact NE2-O 2.74Å; S380-K435 WeakPolarHBondContact OG-CD 3.33Å; S380-K435 WeakPolarHBondContact OG-CE 3.41Å; S380-K435 VanDerWaalsContact OG-CG 3.31Å; S380-K435 WeakPolarHBondContact OG-CG 3.33Å; S380-K435 PolarHBondContact OG-NZ 3.18Å
381F65.4Low73Confident59 Ų5942.8 Ų42.826%0.25925%0.253SS..PPolyproline II helixtrans-92.1128.4176.7-54.4-79000109.5L242 Y280 L285 W371 F375 Y379L242-F381 HydrophobicContact CD1-CD1 4.46Å; L242-F381 HydrophobicContact CD1-CE1 3.69Å; Y280-F381 HydrophobicContact CD2-CD1 4.49Å; L285-F381 HydrophobicContact CD1-CB 3.36Å; L285-F381 HydrophobicContact CD1-CD1 4.41Å; L285-F381 HydrophobicContact CD1-CD2 4.17Å; L285-F381 HydrophobicContact CD1-CG 3.73Å; L285-F381 HydrophobicContact CD2-CB 3.84Å; L285-F381 HydrophobicContact CD2-CD1 3.26Å; L285-F381 HydrophobicContact CD2-CD2 4.08Å; L285-F381 HydrophobicContact CD2-CE1 3.74Å; L285-F381 HydrophobicContact CD2-CG 3.43Å; L285-F381 VanDerWaalsContact CD2-CG 3.43Å; L285-F381 HydrophobicContact CD2-CZ 4.35Å; L285-F381 HydrophobicContact CG-CB 4.25Å; L285-F381 HydrophobicContact CG-CD1 4.46Å; L285-F381 HydrophobicContact CG-CG 4.22Å; W371-F381 HydrophobicContact CE3-CE1 4.39Å; W371-F381 HydrophobicContact CH2-CE1 4.34Å; W371-F381 HydrophobicContact CZ3-CD1 4.39Å; W371-F381 AromaticContact CZ3-CE1 3.62Å; W371-F381 HydrophobicContact CZ3-CE1 3.62Å; W371-F381 HydrophobicContact CZ3-CZ 4.12Å; F375-F381 HydrophobicContact CD1-CE2 4.08Å; F375-F381 AromaticContact CD1-CZ 3.89Å; F375-F381 HydrophobicContact CD1-CZ 3.89Å; F375-F381 HydrophobicContact CE1-CE2 4.03Å; F375-F381 AromaticContact CE1-CZ 3.79Å; F375-F381 HydrophobicContact CE1-CZ 3.79Å; Y379-F381 WeakPolarHBondContact O-CE2 3.45Å
382V61.9Low73Confident37 Ų3743.8 Ų43.822%0.22426%0.259CS..  trans-106.9134.5-179.6-176.20000107.6F385V382-F385 HydrophobicContact CG1-CE2 4.1Å; V382-F385 HydrophobicContact CG1-CZ 4.27Å
383A57.4Low73.2Confident72 Ų7248.8 Ų48.860%0.59529%0.286SS*.  trans-59.3149.9177.100000111.7
384P61.9Low73.6Confident69 Ų6949.8 Ų49.845%0.44829%0.291SS..  trans-67.4134.4-178.727.8-36000112.5L278 G386L278-P384 WeakPolarHBondContact O-CA 3.48Å; L278-P384 WeakPolarHBondContact O-CB 3.15Å; P384-G386 PolarHBondContact O-N 3.46Å
385F66.9Low73.9Confident32 Ų3254 Ų5414%0.1432%0.32CS..  trans-82.827.7172-61.5-85.3000112.8L247 L278 V382 D387 E388 C389L247-F385 HydrophobicContact CB-CE2 4.12Å; L247-F385 HydrophobicContact CD1-CD2 4.5Å; L247-F385 HydrophobicContact CD1-CE2 4.06Å; L247-F385 HydrophobicContact CD1-CZ 4.26Å; L278-F385 HydrophobicContact CD1-CB 4.14Å; L278-F385 HydrophobicContact CD1-CD2 4.23Å; V382-F385 HydrophobicContact CG1-CE2 4.1Å; V382-F385 HydrophobicContact CG1-CZ 4.27Å; F385-D387 PolarHBondContact O-N 2.81Å; F385-E388 PolarHBondContact O-N 3.06Å; F385-E388 VanDerWaalsContact O-N 3.15Å; F385-C389 PolarHBondContact O-N 3.21Å; F385-C389 PolarHBondContact O-SG 3.38Å; F385-C389 VanDerWaalsContact O-SG 3.34Å
386G66.5Low74.3Confident21 Ų2154.2 Ų54.222%0.21633%0.327CS..THydrogen-bonded Turntrans-56.8-43-163.700000114.3L276 P384 E388 C389L276-G386 WeakPolarHBondContact CD2-O 3.39Å; P384-G386 PolarHBondContact O-N 3.46Å; G386-E388 VanDerWaalsContact C-N 3.35Å; G386-E388 PolarHBondContact O-N 3.36Å; G386-C389 WeakPolarHBondContact O-CB 3.44Å; G386-C389 PolarHBondContact O-N 2.97Å
387D71.2Confident75.1Confident142 Ų14254 Ų5476%0.75932%0.324SS*.THydrogen-bonded Turntrans-67-35-177.9-59.5-28.9000112.3F385 C389 T391F385-D387 PolarHBondContact O-N 2.81Å; D387-C389 PolarHBondContact O-N 2.72Å; D387-T391 WeakPolarHBondContact O-CG2 3.5Å; D387-T391 PolarHBondContact O-N 3.28Å; D387-T391 PolarHBondContact O-OG1 3.01Å
388E78.2Confident75.8Confident34 Ų3455.5 Ų55.516%0.15933%0.328CS..Hα-helixtrans-69.8-31.3178.5-73.3-170.1-101.700112.5F385 G386 T390 T391 V392 T457 L458 T459F385-E388 PolarHBondContact O-N 3.06Å; F385-E388 VanDerWaalsContact O-N 3.15Å; G386-E388 VanDerWaalsContact C-N 3.35Å; G386-E388 PolarHBondContact O-N 3.36Å; E388-T390 PolarHBondContact O-N 2.85Å; E388-T391 WeakPolarHBondContact CA-OG1 3.47Å; E388-T391 PolarHBondContact O-N 2.94Å; E388-V392 HydrophobicContact CB-CG2 3.72Å; E388-V392 HydrophobicContact CG-CG2 4.12Å; E388-V392 WeakPolarHBondContact O-CB 3.31Å; E388-V392 WeakPolarHBondContact O-CG2 3.48Å; E388-V392 PolarHBondContact O-N 2.79Å; E388-T457 WeakPolarHBondContact OE1-CB 3.24Å; E388-T457 WeakPolarHBondContact OE2-CB 3.37Å; E388-L458 HydrophobicContact CB-CB 4.09Å; E388-L458 HydrophobicContact CB-CD2 4.19Å; E388-L458 WeakPolarHBondContact OE2-CB 3.35Å; E388-L458 PolarHBondContact OE2-N 3.43Å; E388-L458 VanDerWaalsContact OE2-N 3.11Å; E388-T459 WeakPolarHBondContact OE2-CB 3.47Å; E388-T459 PolarHBondContact OE2-N 3.04Å; E388-T459 PolarHBondContact OE2-OG1 3.26Å
389C80.5Confident76.5Confident9 Ų952.1 Ų52.16%0.06131%0.308CS..Hα-helixtrans-60.7-20.4-174.7-670000115.2C275 L276 F385 G386 D387C275-C389 VanDerWaalsContact CA-SG 3.58Å; C275-C389 HydrophobicContact CB-CB 3.66Å; C275-C389 WeakPolarHBondContact CB-SG 3.11Å; C275-C389 PolarHBondContact O-SG 3.3Å; C275-C389 VanDerWaalsContact SG-CA 3.54Å; C275-C389 WeakPolarHBondContact SG-CB 3.37Å; C275-C389 CovalentContact SG-SG 2.04Å; C275-C389 PolarHBondContact SG-SG 3.17Å; L276-C389 HydrophobicContact CD2-CB 3.9Å; L276-C389 HydrophobicContact CG-CB 4.09Å; F385-C389 PolarHBondContact O-N 3.21Å; F385-C389 PolarHBondContact O-SG 3.38Å; F385-C389 VanDerWaalsContact O-SG 3.34Å; G386-C389 WeakPolarHBondContact O-CB 3.44Å; G386-C389 PolarHBondContact O-N 2.97Å; D387-C389 PolarHBondContact O-N 2.72Å
390T78.2Confident77.2Confident99 Ų9954.5 Ų54.561%0.60732%0.317SS*.Hα-helixtrans-116.1-21.517859.20000113.8V272 L276 E388V272-T390 HydrophobicContact CG1-CG2 4.29Å; L276-T390 HydrophobicContact CD1-CG2 4.35Å; L276-T390 HydrophobicContact CD2-CG2 4.33Å; E388-T390 PolarHBondContact O-N 2.85Å
391T79.2Confident78.2Confident105 Ų10553.2 Ų53.264%0.64431%0.309SS*.Hα-helixtrans-93.4-26.1-177.256.20000113.4D387 E388 N393D387-T391 WeakPolarHBondContact O-CG2 3.5Å; D387-T391 PolarHBondContact O-N 3.28Å; D387-T391 PolarHBondContact O-OG1 3.01Å; E388-T391 WeakPolarHBondContact CA-OG1 3.47Å; E388-T391 PolarHBondContact O-N 2.94Å; T391-N393 PolarHBondContact O-N 2.94Å
392V83Confident79.3Confident23 Ų2353.1 Ų53.114%0.13932%0.315CS..SBendtrans-70.2124.8-176.4173.20000111.6E388 I394 L458 T459 I462E388-V392 HydrophobicContact CB-CG2 3.72Å; E388-V392 HydrophobicContact CG-CG2 4.12Å; E388-V392 WeakPolarHBondContact O-CB 3.31Å; E388-V392 WeakPolarHBondContact O-CG2 3.48Å; E388-V392 PolarHBondContact O-N 2.79Å; V392-I394 HydrophobicContact CG1-CG2 4.5Å; V392-I394 PolarHBondContact O-N 2.79Å; V392-L458 HydrophobicContact CB-CD2 4.46Å; V392-L458 HydrophobicContact CG2-CD2 4.4Å; V392-L458 HydrophobicContact CG2-CG 4.41Å; V392-T459 WeakPolarHBondContact CG2-OG1 3.29Å; V392-I462 HydrophobicContact CG1-CD1 3.71Å
393N84.6Confident80.1Confident106 Ų10655.1 Ų55.157%0.56733%0.33SS*.  trans-72.792.2176.1-175.710.1000111.7T391 S395T391-N393 PolarHBondContact O-N 2.94Å; N393-S395 VanDerWaalsContact C-N 3.25Å; N393-S395 PolarHBondContact ND2-OG 2.77Å; N393-S395 PolarHBondContact O-N 2.83Å; N393-S395 VanDerWaalsContact OD1-CB 3.23Å; N393-S395 WeakPolarHBondContact OD1-CB 3.45Å; N393-S395 PolarHBondContact OD1-N 3.49Å; N393-S395 PolarHBondContact OD1-OG 2.95Å
394I87.4Confident80.2Confident22 Ų2258.4 Ų58.411%0.11335%0.349CS..G310 helixtrans-75.8-2.8175.261.3138000114.5L257 F268 V392 S396 F397 R398 I462L257-I394 HydrophobicContact CD1-CD1 3.9Å; L257-I394 HydrophobicContact CD2-CB 4.11Å; L257-I394 HydrophobicContact CD2-CD1 3.98Å; L257-I394 HydrophobicContact CD2-CG2 4.03Å; L257-I394 HydrophobicContact CG-CD1 4.39Å; F268-I394 HydrophobicContact CD2-CD1 3.91Å; F268-I394 HydrophobicContact CE2-CD1 3.3Å; F268-I394 HydrophobicContact CE2-CG1 4.22Å; F268-I394 HydrophobicContact CZ-CD1 3.93Å; V392-I394 HydrophobicContact CG1-CG2 4.5Å; V392-I394 PolarHBondContact O-N 2.79Å; I394-S396 VanDerWaalsContact C-N 3.3Å; I394-S396 PolarHBondContact O-N 3.09Å; I394-F397 PolarHBondContact O-N 3.48Å; I394-F397 VanDerWaalsContact O-N 3.07Å; I394-R398 HydrophobicContact CD1-CB 4.44Å; I394-R398 PolarHBondContact O-N 2.85Å; I394-I462 HydrophobicContact CG2-CD1 4.01Å
395S87.3Confident80.4Confident88 Ų8859 Ų5962%0.61537%0.368SS*.G310 helixtrans-66.4-31.6-170.878.80000113.2N393 F397N393-S395 VanDerWaalsContact C-N 3.25Å; N393-S395 PolarHBondContact ND2-OG 2.77Å; N393-S395 PolarHBondContact O-N 2.83Å; N393-S395 VanDerWaalsContact OD1-CB 3.23Å; N393-S395 WeakPolarHBondContact OD1-CB 3.45Å; N393-S395 PolarHBondContact OD1-N 3.49Å; N393-S395 PolarHBondContact OD1-OG 2.95Å; S395-F397 VanDerWaalsContact C-N 3.27Å
396S86.8Confident80.4Confident41 Ų4157.9 Ų57.929%0.28737%0.365SS..G310 helixtrans-76-13.3175.957.20000113.4I394 R400I394-S396 VanDerWaalsContact C-N 3.3Å; I394-S396 PolarHBondContact O-N 3.09Å; S396-R400 VanDerWaalsContact O-CD 3.3Å; S396-R400 WeakPolarHBondContact O-CD 3.27Å; S396-R400 PolarHBondContact O-NH1 3.01Å
397F90.7Very high81.1Confident2 Ų263.1 Ų63.11%0.00938%0.384CS..THydrogen-bonded Turntrans-108.7-39.1-174.3175.5-87.4000112.8L254 L257 Y258 I394 S395 R400 F410 I462 V465 V466L254-F397 HydrophobicContact CB-CE1 4.43Å; L254-F397 HydrophobicContact CB-CZ 4.15Å; L254-F397 HydrophobicContact CD2-CE1 4.47Å; L254-F397 WeakPolarHBondContact O-CE1 3.19Å; L257-F397 HydrophobicContact CB-CE1 4.19Å; L257-F397 HydrophobicContact CD2-CD1 4Å; L257-F397 HydrophobicContact CD2-CE1 4.13Å; L257-F397 HydrophobicContact CG-CD1 4.26Å; L257-F397 HydrophobicContact CG-CE1 4.34Å; Y258-F397 HydrophobicContact CD2-CD2 4.12Å; Y258-F397 HydrophobicContact CD2-CE1 4.29Å; Y258-F397 AromaticContact CD2-CE2 3.82Å; Y258-F397 HydrophobicContact CD2-CE2 3.82Å; Y258-F397 HydrophobicContact CD2-CG 4.48Å; Y258-F397 AromaticContact CD2-CZ 3.9Å; Y258-F397 HydrophobicContact CD2-CZ 3.9Å; Y258-F397 HydrophobicContact CG-CZ 4.28Å; I394-F397 PolarHBondContact O-N 3.48Å; I394-F397 VanDerWaalsContact O-N 3.07Å; S395-F397 VanDerWaalsContact C-N 3.27Å; F397-R400 VanDerWaalsContact O-CB 3.23Å; F397-R400 WeakPolarHBondContact O-CB 3.46Å; F397-R400 PolarHBondContact O-N 2.72Å; F397-F410 HydrophobicContact CZ-CE1 4.31Å; F397-F410 HydrophobicContact CZ-CZ 4.11Å; F397-I462 HydrophobicContact CB-CG2 3.85Å; F397-I462 HydrophobicContact CD2-CB 4.31Å; F397-I462 HydrophobicContact CD2-CG1 4.05Å; F397-I462 HydrophobicContact CD2-CG2 4.06Å; F397-I462 HydrophobicContact CE2-CG1 4.29Å; F397-I462 HydrophobicContact CG-CG1 4.19Å; F397-I462 HydrophobicContact CG-CG2 4.15Å; F397-V465 HydrophobicContact CD2-CB 4.16Å; F397-V465 HydrophobicContact CD2-CG1 4.04Å; F397-V465 HydrophobicContact CE2-CB 3.77Å; F397-V465 HydrophobicContact CE2-CG1 3.64Å; F397-V465 HydrophobicContact CE2-CG2 4.15Å; F397-V466 HydrophobicContact CB-CG2 4.32Å
398R90Very high81.9Confident54 Ų5456.4 Ų56.420%0.20435%0.348CS..THydrogen-bonded Turntrans-59.6139.4180-168.4-179.8-176.3178.82.4110.4L257 D260 R263 D264 I394 R400L257-R398 HydrophobicContact CD1-CB 4.27Å; L257-R398 HydrophobicContact CD1-CG 3.72Å; L257-R398 HydrophobicContact CG-CB 4.22Å; L257-R398 HydrophobicContact CG-CG 4.08Å; L257-R398 WeakPolarHBondContact O-CA 3.37Å; L257-R398 WeakPolarHBondContact O-CG 3.41Å; D260-R398 HydrophobicContact CB-CG 4.42Å; D260-R398 IonicContact OD2-CZ 3.34Å; D260-R398 IonicContact OD2-NE 3.71Å; D260-R398 PolarHBondContact OD2-NE 2.93Å; D260-R398 IonicContact OD2-NH2 3.93Å; D260-R398 PolarHBondContact OD2-NH2 2.88Å; R263-R398 PolarHBondContact O-NH2 3.23Å; D264-R398 PolarHBondContact O-NH2 2.8Å; I394-R398 HydrophobicContact CD1-CB 4.44Å; I394-R398 PolarHBondContact O-N 2.85Å; R398-R400 PolarHBondContact O-N 2.85Å; R398-R400 VanDerWaalsContact O-N 3.11Å
399Q87.8Confident82.4Confident40 Ų4055.9 Ų55.919%0.18735%0.346CS..THydrogen-bonded Turntrans63.21.8-178.3-30.8-160.7-86.300116.9L257 Y258 D260 C261 R263 G401 C402L257-Q399 PolarHBondContact O-N 3.14Å; Y258-Q399 CarbonylContact O-C 3.52Å; Y258-Q399 VanDerWaalsContact O-CA 3.23Å; Y258-Q399 WeakPolarHBondContact O-CA 3.42Å; Y258-Q399 PolarHBondContact O-N 2.86Å; D260-Q399 WeakPolarHBondContact O-CG 3.5Å; D260-Q399 PolarHBondContact O-NE2 2.65Å; C261-Q399 PolarHBondContact O-NE2 2.84Å; R263-Q399 VanDerWaalsContact CZ-OE1 3.24Å; Q399-G401 PolarHBondContact O-N 3.16Å; Q399-G401 VanDerWaalsContact O-N 3.17Å; Q399-C402 WeakPolarHBondContact O-CB 3.48Å; Q399-C402 PolarHBondContact O-N 3.41Å; Q399-C402 PolarHBondContact O-SG 2.96Å
400R89.6Confident82.8Confident61 Ų6155.5 Ų55.523%0.2334%0.344CS..G310 helixtrans-64.4-25.3-173.2-166.8160.8-164.4129.13.6113.4Y258 S396 F397 R398 C402 T469 E470Y258-R400 HydrophobicContact CD2-CB 3.99Å; Y258-R400 HydrophobicContact CE2-CB 3.64Å; Y258-R400 HydrophobicContact CE2-CG 4.05Å; Y258-R400 PolarHBondContact O-N 2.89Å; Y258-R400 VanDerWaalsContact O-N 3.1Å; S396-R400 VanDerWaalsContact O-CD 3.3Å; S396-R400 WeakPolarHBondContact O-CD 3.27Å; S396-R400 PolarHBondContact O-NH1 3.01Å; F397-R400 VanDerWaalsContact O-CB 3.23Å; F397-R400 WeakPolarHBondContact O-CB 3.46Å; F397-R400 PolarHBondContact O-N 2.72Å; R398-R400 PolarHBondContact O-N 2.85Å; R398-R400 VanDerWaalsContact O-N 3.11Å; R400-C402 PolarHBondContact O-N 2.96Å; R400-T469 HydrophobicContact CG-CG2 4.33Å; R400-T469 PolarHBondContact NE-OG1 3.23Å; R400-T469 PolarHBondContact NH2-OG1 2.89Å; R400-E470 IonicContact CZ-OE1 3.32Å; R400-E470 IonicContact NH1-OE1 2.69Å; R400-E470 PolarHBondContact NH1-OE1 3.3Å; R400-E470 VanDerWaalsContact NH2-CD 3.3Å; R400-E470 IonicContact NH2-OE1 3.46Å; R400-E470 PolarHBondContact NH2-OE1 3.46Å
401G88.2Confident83.2Confident2 Ų250.9 Ų50.92%0.02132%0.315CS..G310 helixtrans-70.5-10.7171.400000115.6Y258 Q399 G406Y258-G401 PolarHBondContact O-N 3.33Å; Q399-G401 PolarHBondContact O-N 3.16Å; Q399-G401 VanDerWaalsContact O-N 3.17Å; G401-G406 WeakPolarHBondContact CA-O 2.84Å
402C87Confident83.6Confident56 Ų5646 Ų4638%0.37829%0.286SS..G310 helixtrans-82.1-15.6-179.6-52.20000113.2C261 Q399 R400C261-C402 WeakPolarHBondContact CA-SG 3.41Å; C261-C402 HydrophobicContact CB-CB 4.03Å; C261-C402 WeakPolarHBondContact CB-SG 3.48Å; C261-C402 PolarHBondContact N-SG 2.81Å; C261-C402 WeakPolarHBondContact SG-CB 3.19Å; C261-C402 CovalentContact SG-SG 2.04Å; C261-C402 PolarHBondContact SG-SG 3.32Å; Q399-C402 WeakPolarHBondContact O-CB 3.48Å; Q399-C402 PolarHBondContact O-N 3.41Å; Q399-C402 PolarHBondContact O-SG 2.96Å; R400-C402 PolarHBondContact O-N 2.96Å
403S80.7Confident83.7Confident80 Ų8045 Ų4556%0.55928%0.279SS*.SBendtrans-78.1147.3179.5-65.20000112.3G405 G406S403-G405 VanDerWaalsContact C-N 3.34Å; S403-G405 PolarHBondContact O-N 3.13Å; S403-G406 PolarHBondContact O-N 2.86Å
404S59.3Low83.7Confident141 Ų14140.1 Ų40.199%0.98625%0.253SS*.THydrogen-bonded Turntrans-69.186.2178.4-168.80000111.6
405G65.5Low83.6Confident82 Ų8239 Ų3985%0.84525%0.248SC*.THydrogen-bonded Turntrans132.2-8.3-172.400000114.3S403S403-G405 VanDerWaalsContact C-N 3.34Å; S403-G405 PolarHBondContact O-N 3.13Å
406G66.9Low83.1Confident8 Ų835.7 Ų35.78%0.08222%0.223CC..  trans-92.20.9-178.800000115.7Y258 G401 S403 L408Y258-G406 WeakPolarHBondContact CE1-O 3.17Å; Y258-G406 VanDerWaalsContact CZ-O 3.25Å; Y258-G406 PolarHBondContact OH-O 2.91Å; G401-G406 WeakPolarHBondContact CA-O 2.84Å; S403-G406 PolarHBondContact O-N 2.86Å; G406-L408 PolarHBondContact O-N 3.03Å
407Q80.7Confident82.7Confident131 Ų13136.3 Ų36.361%0.61222%0.221SC*.  trans-70.5117.6-174.9-68.8-175.8-5.200112.1
408L88.9Confident82.2Confident1 Ų136.3 Ų36.31%0.00522%0.221CC..  trans-128121-179.6178.666.3000107.8P230 L232 Y258 H259 G406 F410 I441 V465 F468P230-L408 HydrophobicContact CB-CD1 4.06Å; L232-L408 HydrophobicContact CB-CD1 4.39Å; L232-L408 HydrophobicContact CB-CD2 4.14Å; L232-L408 HydrophobicContact CB-CG 4.29Å; Y258-L408 HydrophobicContact CE1-CB 3.81Å; H259-L408 PolarHBondContact CE1-O 3.21Å; H259-L408 VanDerWaalsContact CE1-O 3.28Å; G406-L408 PolarHBondContact O-N 3.03Å; L408-F410 HydrophobicContact CB-CE2 4.34Å; L408-F410 HydrophobicContact CD2-CE2 4.2Å; L408-F410 HydrophobicContact CD2-CZ 4.21Å; L408-F410 HydrophobicContact CG-CE2 4.21Å; L408-F410 VanDerWaalsContact O-CD2 3.31Å; L408-F410 WeakPolarHBondContact O-CD2 3.21Å; L408-F410 WeakPolarHBondContact O-CE2 3.36Å; L408-I441 HydrophobicContact CD1-CG2 4.11Å; L408-I441 HydrophobicContact CD2-CD1 4.5Å; L408-V465 HydrophobicContact CD2-CB 4.36Å; L408-V465 HydrophobicContact CD2-CG1 3.62Å; L408-V465 HydrophobicContact CD2-CG2 3.97Å; L408-F468 HydrophobicContact CD1-CD1 4.21Å; L408-F468 HydrophobicContact CD1-CE1 3.96Å; L408-F468 HydrophobicContact CD2-CD1 4.46Å
409N87.6Confident81.9Confident22 Ų2235.1 Ų35.112%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-69.9149.5170.1-76-6.2000109.7T226 P230 T231 L232T226-N409 PolarHBondContact O-ND2 2.83Å; T226-N409 VanDerWaalsContact O-ND2 3.09Å; P230-N409 PolarHBondContact O-N 2.82Å; T231-N409 CarbonylContact C-O 3.33Å; T231-N409 WeakPolarHBondContact CA-O 3.44Å; T231-N409 HydrophobicContact CG2-CB 3.95Å; T231-N409 WeakPolarHBondContact OG1-CB 3.32Å; L232-N409 PolarHBondContact N-O 2.92Å
410F89.4Confident81.5Confident1 Ų136.9 Ų36.90%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-116.1131.6173.4-73.2-112000108.5V209 N210 V211 L232 V251 L254 S255 Y258 F397 L408V209-F410 PolarHBondContact O-N 3.23Å; V209-F410 VanDerWaalsContact O-O 3.05Å; N210-F410 CarbonylContact C-O 3.54Å; N210-F410 VanDerWaalsContact CA-O 3.28Å; N210-F410 WeakPolarHBondContact CA-O 3.4Å; V211-F410 PolarHBondContact N-O 2.92Å; L232-F410 HydrophobicContact CB-CD1 4.48Å; L232-F410 HydrophobicContact CD2-CD1 3.56Å; L232-F410 HydrophobicContact CD2-CE1 3.49Å; L232-F410 VanDerWaalsContact CD2-CE1 3.49Å; L232-F410 HydrophobicContact CD2-CZ 4.38Å; L232-F410 CarbonylContact O-C 3.58Å; V251-F410 HydrophobicContact CG1-CB 3.88Å; V251-F410 HydrophobicContact CG1-CD1 4.08Å; V251-F410 HydrophobicContact CG1-CG 4.49Å; L254-F410 HydrophobicContact CB-CE1 4.3Å; S255-F410 VanDerWaalsContact CB-CG 3.48Å; S255-F410 WeakPolarHBondContact OG-CD2 3.46Å; Y258-F410 AromaticContact CD1-CE2 3.75Å; Y258-F410 HydrophobicContact CD1-CE2 3.75Å; Y258-F410 HydrophobicContact CD1-CZ 4.19Å; Y258-F410 HydrophobicContact CD2-CZ 4.28Å; Y258-F410 HydrophobicContact CE1-CE2 4.3Å; Y258-F410 AromaticContact CG-CE2 3.93Å; Y258-F410 HydrophobicContact CG-CE2 3.93Å; Y258-F410 AromaticContact CG-CZ 3.9Å; Y258-F410 HydrophobicContact CG-CZ 3.9Å; F397-F410 HydrophobicContact CZ-CE1 4.31Å; F397-F410 HydrophobicContact CZ-CZ 4.11Å; L408-F410 HydrophobicContact CB-CE2 4.34Å; L408-F410 HydrophobicContact CD2-CE2 4.2Å; L408-F410 HydrophobicContact CD2-CZ 4.21Å; L408-F410 HydrophobicContact CG-CE2 4.21Å; L408-F410 VanDerWaalsContact O-CD2 3.31Å; L408-F410 WeakPolarHBondContact O-CD2 3.21Å; L408-F410 WeakPolarHBondContact O-CE2 3.36Å
411A87.5Confident81Confident2 Ų235.4 Ų35.42%0.01722%0.218CC..EExtended strand (participates in β ladder)trans-134.4144.4-178.600000111.3V211 T231 L232 L233 L234V211-A411 WeakPolarHBondContact O-CA 3.24Å; V211-A411 WeakPolarHBondContact O-CB 3.37Å; T231-A411 HydrophobicContact CG2-CB 3.73Å; L232-A411 PolarHBondContact O-N 3.39Å; L233-A411 WeakPolarHBondContact CA-O 3.41Å; L233-A411 HydrophobicContact CD1-CB 3.83Å; L234-A411 PolarHBondContact N-O 2.04Å
412T86.8Confident80.7Confident3 Ų335.3 Ų35.32%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-125.5136.7176.134.40000110.3V211 W212 G213 L234 V248 V251V211-T412 PolarHBondContact O-N 3.22Å; V211-T412 VanDerWaalsContact O-N 3.16Å; W212-T412 VanDerWaalsContact CE2-OG1 3.28Å; W212-T412 HydrophobicContact CH2-CG2 4.5Å; W212-T412 WeakPolarHBondContact CH2-OG1 3.43Å; W212-T412 WeakPolarHBondContact CZ2-OG1 3.48Å; W212-T412 VanDerWaalsContact CZ3-OG1 3.29Å; W212-T412 WeakPolarHBondContact CZ3-OG1 3.05Å; G213-T412 PolarHBondContact N-O 3.18Å; L234-T412 HydrophobicContact CB-CG2 4.21Å; L234-T412 HydrophobicContact CD2-CG2 4.36Å; L234-T412 WeakPolarHBondContact O-CA 3.42Å; V248-T412 HydrophobicContact CG1-CG2 3.67Å; V251-T412 HydrophobicContact CB-CG2 3.58Å; V251-T412 HydrophobicContact CG1-CG2 3.8Å; V251-T412 HydrophobicContact CG2-CG2 3.71Å
413M85Confident80.2Confident2 Ų238.6 Ų38.61%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-130.2139.5168.9-70.6175.8-167.300108.7L223 F227 L233 L234 L235 A236 S415L223-M413 HydrophobicContact CD1-CE 3.64Å; L223-M413 HydrophobicContact CD2-CE 3.54Å; L223-M413 HydrophobicContact CG-CE 4.25Å; F227-M413 HydrophobicContact CZ-CE 4.3Å; L233-M413 HydrophobicContact CD1-CB 4.39Å; L233-M413 HydrophobicContact CD1-CE 3.82Å; L233-M413 HydrophobicContact CD1-CG 3.84Å; L233-M413 HydrophobicContact CD1-SD 3.89Å; L233-M413 HydrophobicContact CD2-CE 4.06Å; L233-M413 HydrophobicContact CD2-SD 4.11Å; L234-M413 PolarHBondContact O-N 3.31Å; L235-M413 WeakPolarHBondContact CA-O 3.1Å; L235-M413 HydrophobicContact CD1-CB 3.73Å; L235-M413 HydrophobicContact CD1-CG 4.23Å; L235-M413 HydrophobicContact CD1-SD 3.85Å; L235-M413 HydrophobicContact CG-CB 3.95Å; A236-M413 PolarHBondContact N-O 2.83Å; M413-S415 PolarHBondContact O-N 3.03Å
414D84.6Confident80Confident3 Ų341.8 Ų41.82%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-74.4115.7174.6-177.66.4000110.2Y84 A236 W238 D416 H417 Y418Y84-D414 WeakPolarHBondContact OH-CB 3.43Å; Y84-D414 PolarHBondContact OH-OD2 3.45Å; A236-D414 WeakPolarHBondContact O-CA 3.38Å; W238-D414 HydrophobicContact CB-CB 4.11Å; W238-D414 PolarHBondContact N-OD1 3.21Å; D414-D416 PolarHBondContact O-N 3.09Å; D414-D416 PolarHBondContact OD1-N 3.18Å; D414-H417 PolarHBondContact O-N 3.37Å; D414-H417 IonicContact OD2-CD2 2.74Å; D414-H417 PolarHBondContact OD2-CD2 2.87Å; D414-H417 VanDerWaalsContact OD2-CD2 3.26Å; D414-H417 IonicContact OD2-NE2 2.66Å; D414-Y418 HydrophobicContact CB-CD2 4.32Å; D414-Y418 WeakPolarHBondContact O-CB 3.42Å; D414-Y418 VanDerWaalsContact O-CD2 3.24Å; D414-Y418 WeakPolarHBondContact O-CD2 3.5Å; D414-Y418 PolarHBondContact O-N 3.21Å
415S84.2Confident80.9Confident0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-71-17.6177.960.20000112.7A236 P237 M413 H417 N419 R434A236-S415 VanDerWaalsContact CA-OG 3.24Å; A236-S415 WeakPolarHBondContact CA-OG 3.35Å; A236-S415 PolarHBondContact O-N 2.9Å; P237-S415 VanDerWaalsContact CD-OG 3.25Å; P237-S415 WeakPolarHBondContact CD-OG 3.44Å; M413-S415 PolarHBondContact O-N 3.03Å; S415-H417 PolarHBondContact O-N 3.15Å; S415-N419 WeakPolarHBondContact O-CB 3.42Å; S415-N419 PolarHBondContact O-N 3.25Å; S415-R434 WeakPolarHBondContact CB-O 3.24Å; S415-R434 WeakPolarHBondContact O-CB 3.27Å; S415-R434 PolarHBondContact OG-O 3.45Å
416D78.5Confident81.4Confident17 Ų1734.1 Ų34.19%0.09116%0.157CC..Hα-helixtrans-66.1-19.3175.5-91.9-37.7000113.4D414 R434 K435D414-D416 PolarHBondContact O-N 3.09Å; D414-D416 PolarHBondContact OD1-N 3.18Å; D416-R434 PolarHBondContact O-NH1 3.49Å; D416-R434 VanDerWaalsContact OD1-CD 3.28Å; D416-R434 WeakPolarHBondContact OD1-CD 3.09Å; D416-R434 IonicContact OD1-CZ 3.16Å; D416-R434 IonicContact OD1-NE 3.35Å; D416-R434 IonicContact OD1-NH1 2.66Å; D416-K435 VanDerWaalsContact OD1-CD 3.23Å; D416-K435 WeakPolarHBondContact OD1-CD 3.36Å; D416-K435 WeakPolarHBondContact OD1-CE 3.19Å; D416-K435 IonicContact OD1-NZ 2.65Å; D416-K435 PolarHBondContact OD1-NZ 3.34Å; D416-K435 IonicContact OD2-NZ 3.46Å; D416-K435 PolarHBondContact OD2-NZ 3.37Å
417H77.1Confident82.1Confident54 Ų5434.3 Ų34.325%0.2516%0.155CC..Hα-helixtrans-116.1-35.3175.2-58.8-43000114.6Y84 D414 S415Y84-H417 AromaticContact CE2-CD2 3.48Å; Y84-H417 VanDerWaalsContact CE2-CD2 3.48Å; Y84-H417 WeakPolarHBondContact CE2-CD2 2.97Å; Y84-H417 AromaticContact CE2-NE2 3.62Å; Y84-H417 AromaticContact CZ-CD2 3.96Å; D414-H417 PolarHBondContact O-N 3.37Å; D414-H417 IonicContact OD2-CD2 2.74Å; D414-H417 PolarHBondContact OD2-CD2 2.87Å; D414-H417 VanDerWaalsContact OD2-CD2 3.26Å; D414-H417 IonicContact OD2-NE2 2.66Å; S415-H417 PolarHBondContact O-N 3.15Å
418Y81.2Confident81.8Confident2 Ų228.9 Ų28.91%0.00813%0.132CC..Hα-helixtrans-109.813.2-170-54.3-76.8000114.2N214 P215 D414 W420 Y421N214-Y418 PolarHBondContact OD1-OH 3.48Å; P215-Y418 HydrophobicContact CG-CD1 4.01Å; P215-Y418 HydrophobicContact CG-CE1 4.16Å; D414-Y418 HydrophobicContact CB-CD2 4.32Å; D414-Y418 WeakPolarHBondContact O-CB 3.42Å; D414-Y418 VanDerWaalsContact O-CD2 3.24Å; D414-Y418 WeakPolarHBondContact O-CD2 3.5Å; D414-Y418 PolarHBondContact O-N 3.21Å; Y418-W420 PolarHBondContact O-N 2.96Å; Y418-Y421 HydrophobicContact CD1-CE2 4.43Å; Y418-Y421 WeakPolarHBondContact O-CB 3.18Å; Y418-Y421 PolarHBondContact O-N 3.34Å
419N83.8Confident81.1Confident30 Ų3030.9 Ų30.916%0.1614%0.142CC..THydrogen-bonded Turntrans-54.7-25-179.7-171.467.8000114.7S415 Y421 A422 Y423 R432 R434 K438S415-N419 WeakPolarHBondContact O-CB 3.42Å; S415-N419 PolarHBondContact O-N 3.25Å; N419-Y421 PolarHBondContact O-N 2.98Å; N419-A422 WeakPolarHBondContact O-CB 3.35Å; N419-A422 PolarHBondContact O-N 3.2Å; N419-Y423 PolarHBondContact O-N 2.9Å; N419-R432 PolarHBondContact ND2-O 3.14Å; N419-R434 HydrophobicContact CB-CB 3.8Å; N419-K438 VanDerWaalsContact OD1-CE 3.32Å; N419-K438 WeakPolarHBondContact OD1-CE 3.44Å; N419-K438 PolarHBondContact OD1-NZ 2.86Å
420W79.2Confident80.5Confident76 Ų7636.1 Ų36.129%0.28816%0.16SC..Hα-helixtrans-60.8-22.9175.366.9-98.7000113.4Y418 Y423 K424Y418-W420 PolarHBondContact O-N 2.96Å; W420-Y423 PolarHBondContact O-N 3.44Å; W420-K424 HydrophobicContact CE3-CD 3.73Å; W420-K424 HydrophobicContact CE3-CG 4.25Å; W420-K424 HydrophobicContact CZ3-CD 3.74Å; W420-K424 PolarHBondContact O-N 2.94Å
421Y79Confident80Confident30 Ų3037.3 Ų37.312%0.11817%0.165CC..Hα-helixtrans-62.7-45.4170.9-86.9-86.1000111.7P215 L223 Y418 N419 Y423 K424 L425P215-Y421 HydrophobicContact CB-CE2 4.16Å; P215-Y421 WeakPolarHBondContact CB-OH 3.3Å; P215-Y421 HydrophobicContact CG-CD2 4.35Å; P215-Y421 HydrophobicContact CG-CE2 3.38Å; P215-Y421 WeakPolarHBondContact CG-OH 3.4Å; L223-Y421 HydrophobicContact CD1-CD1 4.46Å; L223-Y421 HydrophobicContact CD1-CE1 3.7Å; Y418-Y421 HydrophobicContact CD1-CE2 4.43Å; Y418-Y421 WeakPolarHBondContact O-CB 3.18Å; Y418-Y421 PolarHBondContact O-N 3.34Å; N419-Y421 PolarHBondContact O-N 2.98Å; Y421-Y423 VanDerWaalsContact C-N 3.28Å; Y421-Y423 PolarHBondContact O-N 3.47Å; Y421-K424 PolarHBondContact O-N 3.09Å; Y421-L425 WeakPolarHBondContact O-CB 3.4Å; Y421-L425 VanDerWaalsContact O-CG 3.25Å; Y421-L425 WeakPolarHBondContact O-CG 3.43Å; Y421-L425 PolarHBondContact O-N 2.93Å
422A81.3Confident79.3Confident1 Ų143.3 Ų43.31%0.00819%0.187CC..Hα-helixtrans-60-40.6176.100000111.7L235 N419 L425 G426 F427 K438L235-A422 HydrophobicContact CD2-CB 3.91Å; N419-A422 WeakPolarHBondContact O-CB 3.35Å; N419-A422 PolarHBondContact O-N 3.2Å; A422-L425 CarbonylContact O-C 3.51Å; A422-L425 PolarHBondContact O-N 2.73Å; A422-G426 PolarHBondContact O-N 2.78Å; A422-F427 HydrophobicContact CB-CB 4.22Å; A422-F427 HydrophobicContact CB-CD2 3.77Å; A422-F427 HydrophobicContact CB-CE2 4.32Å; A422-F427 HydrophobicContact CB-CG 4Å; A422-F427 WeakPolarHBondContact O-CB 3.45Å; A422-F427 WeakPolarHBondContact O-CD2 3.31Å; A422-F427 PolarHBondContact O-N 2.82Å; A422-K438 HydrophobicContact CB-CD 3.4Å; A422-K438 VanDerWaalsContact CB-CD 3.4Å
423Y76.5Confident79Confident125 Ų12545.8 Ų45.849%0.4921%0.205SC..Hα-helixtrans-63.3-46.3175.6177.8-107.9000112.3N419 W420 Y421 L425 G426N419-Y423 PolarHBondContact O-N 2.9Å; W420-Y423 PolarHBondContact O-N 3.44Å; Y421-Y423 VanDerWaalsContact C-N 3.28Å; Y421-Y423 PolarHBondContact O-N 3.47Å; Y423-L425 VanDerWaalsContact C-N 3.28Å; Y423-L425 PolarHBondContact O-N 2.89Å; Y423-G426 PolarHBondContact O-N 3.13Å
424K76.8Confident78.7Confident147 Ų14749.6 Ų49.664%0.63922%0.219SC*.Hα-helixtrans-68.3-25176.5-69.6-168.6-170.3169.50113.7W420 Y421 G426W420-K424 HydrophobicContact CE3-CD 3.73Å; W420-K424 HydrophobicContact CE3-CG 4.25Å; W420-K424 HydrophobicContact CZ3-CD 3.74Å; W420-K424 PolarHBondContact O-N 2.94Å; Y421-K424 PolarHBondContact O-N 3.09Å; K424-G426 VanDerWaalsContact C-N 3.26Å
425L78.8Confident78.4Confident54 Ų5451.9 Ų51.928%0.28323%0.229SC..THydrogen-bonded Turntrans-82.11.7171-69.5170.6000113.3Y421 A422 Y423 F427 M440 F449Y421-L425 WeakPolarHBondContact O-CB 3.4Å; Y421-L425 VanDerWaalsContact O-CG 3.25Å; Y421-L425 WeakPolarHBondContact O-CG 3.43Å; Y421-L425 PolarHBondContact O-N 2.93Å; A422-L425 CarbonylContact O-C 3.51Å; A422-L425 PolarHBondContact O-N 2.73Å; Y423-L425 VanDerWaalsContact C-N 3.28Å; Y423-L425 PolarHBondContact O-N 2.89Å; L425-F427 HydrophobicContact CB-CD2 4.42Å; L425-M440 HydrophobicContact CD1-SD 3.61Å; L425-F449 HydrophobicContact CB-CE1 4.23Å; L425-F449 HydrophobicContact CB-CZ 3.87Å; L425-F449 HydrophobicContact CD1-CE2 4.37Å; L425-F449 HydrophobicContact CD1-CZ 4.22Å; L425-F449 HydrophobicContact CD2-CE2 4.41Å; L425-F449 HydrophobicContact CD2-CZ 4.35Å; L425-F449 HydrophobicContact CG-CZ 4.38Å; L425-F449 WeakPolarHBondContact O-CE1 3.34Å
426G76.2Confident78.3Confident7 Ų755 Ų557%0.07224%0.244CC..THydrogen-bonded Turntrans82.323171.900000116.4A422 Y423 K424 F476 R478A422-G426 PolarHBondContact O-N 2.78Å; Y423-G426 PolarHBondContact O-N 3.13Å; K424-G426 VanDerWaalsContact C-N 3.26Å; G426-F476 WeakPolarHBondContact O-CE1 3.34Å; G426-F476 WeakPolarHBondContact O-CZ 3.12Å; G426-R478 VanDerWaalsContact CA-CG 3.47Å
427F81.9Confident78.6Confident12 Ų1255.8 Ų55.85%0.05325%0.251CS..  trans-58.4137.6174.3-89.3-104.1000111.8A422 L425 Y431 K438 M440 F449 V451A422-F427 HydrophobicContact CB-CB 4.22Å; A422-F427 HydrophobicContact CB-CD2 3.77Å; A422-F427 HydrophobicContact CB-CE2 4.32Å; A422-F427 HydrophobicContact CB-CG 4Å; A422-F427 WeakPolarHBondContact O-CB 3.45Å; A422-F427 WeakPolarHBondContact O-CD2 3.31Å; A422-F427 PolarHBondContact O-N 2.82Å; L425-F427 HydrophobicContact CB-CD2 4.42Å; F427-Y431 HydrophobicContact CD1-CD2 4.31Å; F427-Y431 HydrophobicContact CD1-CG 4.2Å; F427-K438 HydrophobicContact CD1-CB 4.36Å; F427-K438 HydrophobicContact CD1-CD 4.07Å; F427-K438 HydrophobicContact CD1-CG 4.13Å; F427-K438 HydrophobicContact CE1-CB 3.68Å; F427-K438 HydrophobicContact CE1-CD 4.2Å; F427-K438 HydrophobicContact CE1-CG 3.94Å; F427-K438 HydrophobicContact CG-CD 4.41Å; F427-K438 HydrophobicContact CZ-CB 3.96Å; F427-M440 HydrophobicContact CE2-CB 4.48Å; F427-M440 HydrophobicContact CE2-CE 3.7Å; F427-M440 HydrophobicContact CE2-SD 3.73Å; F427-M440 HydrophobicContact CZ-CB 4.18Å; F427-M440 HydrophobicContact CZ-CE 3.64Å; F427-M440 HydrophobicContact CZ-SD 4.1Å; F427-F449 HydrophobicContact CE2-CZ 4.08Å; F427-V451 HydrophobicContact CD1-CG1 4.09Å; F427-V451 HydrophobicContact CE1-CG1 3.42Å; F427-V451 VanDerWaalsContact CE1-CG1 3.42Å; F427-V451 HydrophobicContact CE2-CG1 4.45Å; F427-V451 HydrophobicContact CE2-CG2 4.18Å; F427-V451 HydrophobicContact CZ-CB 4.46Å; F427-V451 HydrophobicContact CZ-CG1 3.64Å; F427-V451 HydrophobicContact CZ-CG2 4.05Å
428P73.7Confident79.2Confident18 Ų1853.4 Ų53.412%0.11724%0.24CC..  trans-58.8158.6178.9-24.432.9000113.9R430 Y431 L453 F476 E481P428-R430 HydrophobicContact CB-CG 4.35Å; P428-R430 PolarHBondContact O-N 3.09Å; P428-Y431 HydrophobicContact CB-CD2 3.94Å; P428-Y431 HydrophobicContact CB-CE2 4.05Å; P428-Y431 HydrophobicContact CG-CD2 4.1Å; P428-Y431 HydrophobicContact CG-CE2 3.97Å; P428-Y431 PolarHBondContact O-N 3.49Å; P428-L453 HydrophobicContact CG-CD2 4.36Å; P428-F476 HydrophobicContact CG-CE2 4.42Å; P428-F476 HydrophobicContact CG-CZ 4.33Å; P428-E481 HydrophobicContact CB-CG 4.37Å; P428-E481 WeakPolarHBondContact CB-OE1 3.43Å
429D74.1Confident79.7Confident42 Ų4253.4 Ų53.423%0.22524%0.24CC..G310 helixtrans-64.2-31.3-168.1-78.5-4.9000112.6Y431 R432 E481 F483D429-Y431 PolarHBondContact O-N 2.93Å; D429-Y431 VanDerWaalsContact O-N 3.13Å; D429-R432 WeakPolarHBondContact O-CB 3.33Å; D429-R432 WeakPolarHBondContact O-CG 3.43Å; D429-R432 PolarHBondContact O-N 3.19Å; D429-R432 IonicContact OD1-CZ 3.34Å; D429-R432 IonicContact OD1-NE 2.65Å; D429-R432 PolarHBondContact OD1-NE 2.97Å; D429-R432 IonicContact OD1-NH2 3.32Å; D429-R432 PolarHBondContact OD1-NH2 3.37Å; D429-R432 IonicContact OD2-CZ 3.26Å; D429-R432 IonicContact OD2-NE 2.72Å; D429-R432 PolarHBondContact OD2-NE 3.33Å; D429-R432 IonicContact OD2-NH1 2.98Å; D429-R432 IonicContact OD2-NH2 2.68Å; D429-R432 PolarHBondContact OD2-NH2 2.98Å; D429-E481 WeakPolarHBondContact CB-OE2 3.42Å; D429-E481 PolarHBondContact N-OE2 3.28Å; D429-F483 WeakPolarHBondContact OD2-CZ 3.45Å
430R75.5Confident80.2Confident132 Ų13252 Ų5250%0.49823%0.232SC..G310 helixtrans-58.3-21172.868.5-170.1-174.3-108.97.4114.5P428 I436 E481P428-R430 HydrophobicContact CB-CG 4.35Å; P428-R430 PolarHBondContact O-N 3.09Å; R430-I436 VanDerWaalsContact O-CD1 3.29Å; R430-I436 WeakPolarHBondContact O-CD1 3.45Å; R430-E481 IonicContact CZ-OE1 3.85Å; R430-E481 IonicContact NH1-OE1 2.7Å; R430-E481 PolarHBondContact NH1-OE1 2.93Å
431Y77.5Confident80.9Confident27 Ų2748.3 Ų48.311%0.10622%0.219CC..G310 helixtrans-97.71.8173.7-49.4-88.2000113.4F427 P428 D429 S433 I436 K438 L453F427-Y431 HydrophobicContact CD1-CD2 4.31Å; F427-Y431 HydrophobicContact CD1-CG 4.2Å; P428-Y431 HydrophobicContact CB-CD2 3.94Å; P428-Y431 HydrophobicContact CB-CE2 4.05Å; P428-Y431 HydrophobicContact CG-CD2 4.1Å; P428-Y431 HydrophobicContact CG-CE2 3.97Å; P428-Y431 PolarHBondContact O-N 3.49Å; D429-Y431 PolarHBondContact O-N 2.93Å; D429-Y431 VanDerWaalsContact O-N 3.13Å; Y431-S433 PolarHBondContact O-N 2.83Å; Y431-I436 HydrophobicContact CD1-CG2 4.02Å; Y431-K438 WeakPolarHBondContact O-CE 3.41Å; Y431-K438 PolarHBondContact O-NZ 3.24Å; Y431-L453 HydrophobicContact CE2-CD2 4.02Å; Y431-L453 WeakPolarHBondContact OH-CA 3.47Å; Y431-L453 PolarHBondContact OH-O 3.08Å
432R74.4Confident81.4Confident127 Ų12748.1 Ų48.148%0.47922%0.219SC..  trans-52.2-32.1-179-85.1172.2-179.5-172.86.3113.9N419 D429 R434N419-R432 PolarHBondContact ND2-O 3.14Å; D429-R432 WeakPolarHBondContact O-CB 3.33Å; D429-R432 WeakPolarHBondContact O-CG 3.43Å; D429-R432 PolarHBondContact O-N 3.19Å; D429-R432 IonicContact OD1-CZ 3.34Å; D429-R432 IonicContact OD1-NE 2.65Å; D429-R432 PolarHBondContact OD1-NE 2.97Å; D429-R432 IonicContact OD1-NH2 3.32Å; D429-R432 PolarHBondContact OD1-NH2 3.37Å; D429-R432 IonicContact OD2-CZ 3.26Å; D429-R432 IonicContact OD2-NE 2.72Å; D429-R432 PolarHBondContact OD2-NE 3.33Å; D429-R432 IonicContact OD2-NH1 2.98Å; D429-R432 IonicContact OD2-NH2 2.68Å; D429-R432 PolarHBondContact OD2-NH2 2.98Å; R432-R434 PolarHBondContact O-N 2.84Å
433S80.8Confident81.8Confident55 Ų5548.3 Ų48.339%0.38522%0.22SC..SBendtrans-58.8124178.1-179.70000110.9Y431 K435 I436 K438Y431-S433 PolarHBondContact O-N 2.83Å; S433-K435 PolarHBondContact O-N 2.75Å; S433-K435 VanDerWaalsContact O-N 3.1Å; S433-K435 PolarHBondContact OG-N 2.88Å; S433-K435 VanDerWaalsContact OG-N 3.14Å; S433-I436 PolarHBondContact O-N 3.38Å; S433-I436 VanDerWaalsContact O-N 3.11Å; S433-K438 PolarHBondContact O-NZ 2.96Å
434R78.4Confident82.1Confident82 Ų8244.9 Ų44.931%0.30922%0.215SC..THydrogen-bonded Turntrans-57.1-19.9168.855.5171.2-176.8166.10113.3S415 D416 N419 R432S415-R434 WeakPolarHBondContact CB-O 3.24Å; S415-R434 WeakPolarHBondContact O-CB 3.27Å; S415-R434 PolarHBondContact OG-O 3.45Å; D416-R434 PolarHBondContact O-NH1 3.49Å; D416-R434 VanDerWaalsContact OD1-CD 3.28Å; D416-R434 WeakPolarHBondContact OD1-CD 3.09Å; D416-R434 IonicContact OD1-CZ 3.16Å; D416-R434 IonicContact OD1-NE 3.35Å; D416-R434 IonicContact OD1-NH1 2.66Å; N419-R434 HydrophobicContact CB-CB 3.8Å; R432-R434 PolarHBondContact O-N 2.84Å
435K78.5Confident82.4Confident52 Ų5245.5 Ų45.523%0.22622%0.217CC..THydrogen-bonded Turntrans-85.6-10.2-179.8-52.3-48.7-156.1156.70114.1P237 N378 S380 D416 S433 P437P237-K435 HydrophobicContact CG-CD 4.48Å; N378-K435 PolarHBondContact O-NZ 3.03Å; N378-K435 VanDerWaalsContact O-NZ 3.08Å; S380-K435 WeakPolarHBondContact OG-CD 3.33Å; S380-K435 WeakPolarHBondContact OG-CE 3.41Å; S380-K435 VanDerWaalsContact OG-CG 3.31Å; S380-K435 WeakPolarHBondContact OG-CG 3.33Å; S380-K435 PolarHBondContact OG-NZ 3.18Å; D416-K435 VanDerWaalsContact OD1-CD 3.23Å; D416-K435 WeakPolarHBondContact OD1-CD 3.36Å; D416-K435 WeakPolarHBondContact OD1-CE 3.19Å; D416-K435 IonicContact OD1-NZ 2.65Å; D416-K435 PolarHBondContact OD1-NZ 3.34Å; D416-K435 IonicContact OD2-NZ 3.46Å; D416-K435 PolarHBondContact OD2-NZ 3.37Å; S433-K435 PolarHBondContact O-N 2.75Å; S433-K435 VanDerWaalsContact O-N 3.1Å; S433-K435 PolarHBondContact OG-N 2.88Å; S433-K435 VanDerWaalsContact OG-N 3.14Å; K435-P437 WeakPolarHBondContact O-CD 3.45Å
436I80.7Confident82.6Confident64 Ų6448 Ų4833%0.32822%0.223SC..SBendtrans-90.6119.9175.1-64.8171.6000108.9R430 Y431 S433 K438R430-I436 VanDerWaalsContact O-CD1 3.29Å; R430-I436 WeakPolarHBondContact O-CD1 3.45Å; Y431-I436 HydrophobicContact CD1-CG2 4.02Å; S433-I436 PolarHBondContact O-N 3.38Å; S433-I436 VanDerWaalsContact O-N 3.11Å; I436-K438 PolarHBondContact O-NZ 3.39Å
437P86.2Confident82.9Confident35 Ų3556 Ų5623%0.22726%0.258CS..  trans-61.6148.4171.6-26.337.9000113.6L235 A236 K435 L456L235-P437 CarbonylContact O-C 3.54Å; L235-P437 WeakPolarHBondContact O-CA 3.49Å; A236-P437 HydrophobicContact CB-CB 3.71Å; A236-P437 HydrophobicContact CB-CG 4.08Å; K435-P437 WeakPolarHBondContact O-CD 3.45Å; P437-L456 HydrophobicContact CB-CB 4.28Å; P437-L456 HydrophobicContact CB-CD2 3.4Å; P437-L456 VanDerWaalsContact CB-CD2 3.4Å; P437-L456 HydrophobicContact CB-CG 4.43Å
438K88.5Confident83.2Confident4 Ų455.8 Ų55.82%0.01726%0.259CS..EExtended strand (participates in β ladder)trans-142.5121.9-172.4-60.4168.1-175.971.20110L234 L235 N419 A422 F427 Y431 S433 I436 M440L234-K438 WeakPolarHBondContact CA-O 3.14Å; L235-K438 HydrophobicContact CB-CB 4.14Å; L235-K438 HydrophobicContact CB-CD 4.46Å; L235-K438 PolarHBondContact N-O 3.06Å; L235-K438 PolarHBondContact O-N 2.91Å; N419-K438 VanDerWaalsContact OD1-CE 3.32Å; N419-K438 WeakPolarHBondContact OD1-CE 3.44Å; N419-K438 PolarHBondContact OD1-NZ 2.86Å; A422-K438 HydrophobicContact CB-CD 3.4Å; A422-K438 VanDerWaalsContact CB-CD 3.4Å; F427-K438 HydrophobicContact CD1-CB 4.36Å; F427-K438 HydrophobicContact CD1-CD 4.07Å; F427-K438 HydrophobicContact CD1-CG 4.13Å; F427-K438 HydrophobicContact CE1-CB 3.68Å; F427-K438 HydrophobicContact CE1-CD 4.2Å; F427-K438 HydrophobicContact CE1-CG 3.94Å; F427-K438 HydrophobicContact CG-CD 4.41Å; F427-K438 HydrophobicContact CZ-CB 3.96Å; Y431-K438 WeakPolarHBondContact O-CE 3.41Å; Y431-K438 PolarHBondContact O-NZ 3.24Å; S433-K438 PolarHBondContact O-NZ 2.96Å; I436-K438 PolarHBondContact O-NZ 3.39Å; K438-M440 HydrophobicContact CB-CE 4.4Å
439A92.4Very high83.9Confident1 Ų156.6 Ų56.61%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-112140.1173.400000110.9L234 L452 L456 L461 F464L234-A439 HydrophobicContact CD1-CB 4.47Å; A439-L452 HydrophobicContact CB-CB 4.08Å; A439-L452 HydrophobicContact CB-CD2 4.18Å; A439-L452 PolarHBondContact O-N 3.19Å; A439-L456 HydrophobicContact CB-CD1 3.91Å; A439-L461 HydrophobicContact CB-CD1 3.83Å; A439-F464 HydrophobicContact CB-CE1 4.48Å
440M93.3Very high84.8Confident0 Ų055.1 Ų55.10%025%0.252CS..EExtended strand (participates in β ladder)trans-146.6153.9177.667.5-14884.300110.6L232 L233 L235 L425 F427 K438 F449 H450 V451L232-M440 CarbonylContact C-O 3.5Å; L232-M440 WeakPolarHBondContact CA-O 3.4Å; L233-M440 HydrophobicContact CB-CG 3.85Å; L233-M440 HydrophobicContact CB-SD 4.37Å; L233-M440 HydrophobicContact CD2-CE 4.29Å; L233-M440 HydrophobicContact CD2-CG 4.41Å; L233-M440 HydrophobicContact CD2-SD 3.89Å; L233-M440 HydrophobicContact CG-CE 4.18Å; L233-M440 HydrophobicContact CG-CG 4.37Å; L233-M440 HydrophobicContact CG-SD 4.25Å; L233-M440 PolarHBondContact N-O 3.21Å; L233-M440 PolarHBondContact O-N 2.95Å; L235-M440 HydrophobicContact CB-CE 4.34Å; L235-M440 HydrophobicContact CD1-CE 3.85Å; L425-M440 HydrophobicContact CD1-SD 3.61Å; F427-M440 HydrophobicContact CE2-CB 4.48Å; F427-M440 HydrophobicContact CE2-CE 3.7Å; F427-M440 HydrophobicContact CE2-SD 3.73Å; F427-M440 HydrophobicContact CZ-CB 4.18Å; F427-M440 HydrophobicContact CZ-CE 3.64Å; F427-M440 HydrophobicContact CZ-SD 4.1Å; K438-M440 HydrophobicContact CB-CE 4.4Å; M440-F449 HydrophobicContact CB-CE2 3.69Å; M440-F449 HydrophobicContact CB-CZ 3.99Å; M440-F449 HydrophobicContact CG-CE2 3.78Å; M440-F449 HydrophobicContact CG-CZ 4.27Å; M440-F449 HydrophobicContact SD-CE2 3.88Å; M440-F449 HydrophobicContact SD-CZ 3.97Å; M440-H450 CarbonylContact C-O 3.57Å; M440-H450 WeakPolarHBondContact CA-O 3.33Å; M440-H450 VanDerWaalsContact CB-O 3.24Å; M440-H450 WeakPolarHBondContact CB-O 3.21Å; M440-V451 HydrophobicContact CB-CG2 4.42Å
441I93.8Very high85.7Confident0 Ų049.7 Ų49.70%023%0.234CC..EExtended strand (participates in β ladder)trans-116.4124169.6-67.2164000108.6T231 L232 L408 H450 F464 F468 L473T231-I441 WeakPolarHBondContact O-CA 3.42Å; L232-I441 HydrophobicContact CB-CG1 4.08Å; L232-I441 HydrophobicContact CD1-CD1 4.15Å; L232-I441 HydrophobicContact CD1-CG1 3.65Å; L232-I441 HydrophobicContact CG-CG1 4.49Å; L408-I441 HydrophobicContact CD1-CG2 4.11Å; L408-I441 HydrophobicContact CD2-CD1 4.5Å; I441-H450 HydrophobicContact CB-CB 4.3Å; I441-H450 PolarHBondContact N-O 2.92Å; I441-H450 PolarHBondContact O-N 3Å; I441-F464 HydrophobicContact CB-CE1 4.42Å; I441-F464 HydrophobicContact CD1-CD1 3.93Å; I441-F464 HydrophobicContact CD1-CE1 3.74Å; I441-F464 HydrophobicContact CD1-CZ 4.28Å; I441-F464 HydrophobicContact CG1-CD1 4.28Å; I441-F464 HydrophobicContact CG1-CE1 3.67Å; I441-F464 HydrophobicContact CG1-CZ 4.25Å; I441-F468 HydrophobicContact CB-CD2 4.39Å; I441-F468 HydrophobicContact CD1-CB 3.51Å; I441-F468 HydrophobicContact CD1-CD1 4.1Å; I441-F468 HydrophobicContact CD1-CD2 4.12Å; I441-F468 HydrophobicContact CD1-CG 3.62Å; I441-F468 HydrophobicContact CG2-CD1 4.3Å; I441-F468 HydrophobicContact CG2-CD2 3.75Å; I441-F468 HydrophobicContact CG2-CE1 4.18Å; I441-F468 HydrophobicContact CG2-CE2 3.62Å; I441-F468 HydrophobicContact CG2-CG 4.1Å; I441-F468 HydrophobicContact CG2-CZ 3.86Å; I441-L473 HydrophobicContact CD1-CD1 4.34Å
442I90.3Very high86.3Confident25 Ų2549 Ų4913%0.12823%0.232CC..EExtended strand (participates in β ladder)trans-100.4109.2174.2-60164.5000106.7F227 P230 T231 L233 F449F227-I442 HydrophobicContact CB-CG2 4.29Å; F227-I442 HydrophobicContact CD1-CD1 4.1Å; F227-I442 HydrophobicContact CD2-CD1 4.07Å; F227-I442 HydrophobicContact CE1-CD1 3.81Å; F227-I442 HydrophobicContact CE2-CD1 3.76Å; F227-I442 HydrophobicContact CG-CD1 4.24Å; F227-I442 HydrophobicContact CG-CG2 4.36Å; F227-I442 HydrophobicContact CZ-CD1 3.65Å; P230-I442 CarbonylContact C-O 3.44Å; P230-I442 VanDerWaalsContact CA-O 3.31Å; P230-I442 WeakPolarHBondContact CA-O 3.25Å; T231-I442 PolarHBondContact N-O 2.81Å; T231-I442 PolarHBondContact O-N 2.76Å; L233-I442 HydrophobicContact CD2-CD1 4.26Å; I442-F449 HydrophobicContact CG1-CD2 3.83Å; I442-F449 HydrophobicContact CG1-CE2 3.92Å
443D90.1Very high86.9Confident5 Ų546.6 Ų46.63%0.02723%0.228CC..EExtended strand (participates in β ladder)trans-108.588.9172.6-178-2.2000109.4P230 K445 R446 E447 A448 F468P230-D443 HydrophobicContact CB-CB 4.45Å; D443-K445 PolarHBondContact O-N 2.86Å; D443-K445 WeakPolarHBondContact OD1-CB 3.48Å; D443-K445 PolarHBondContact OD1-N 2.66Å; D443-R446 PolarHBondContact O-N 3.17Å; D443-R446 PolarHBondContact OD1-N 3.03Å; D443-R446 VanDerWaalsContact OD2-CD 3.26Å; D443-R446 WeakPolarHBondContact OD2-CD 3.28Å; D443-R446 WeakPolarHBondContact OD2-CG 3.44Å; D443-R446 IonicContact OD2-NE 3.13Å; D443-E447 PolarHBondContact O-N 2.74Å; D443-E447 VanDerWaalsContact O-N 3.14Å; D443-A448 HydrophobicContact CB-CB 4.29Å; D443-A448 PolarHBondContact N-O 3.34Å; D443-A448 PolarHBondContact O-N 2.94Å; D443-F468 HydrophobicContact CB-CE2 4.1Å; D443-F468 HydrophobicContact CB-CZ 4.16Å
444S83.2Confident87.1Confident54 Ų5449.8 Ų49.838%0.37824%0.237SC..THydrogen-bonded Turntrans-60.7-26.2176.853.20000113.7F227 R446F227-S444 WeakPolarHBondContact O-CB 3.39Å; F227-S444 PolarHBondContact O-OG 2.88Å; S444-R446 VanDerWaalsContact C-N 3.32Å; S444-R446 PolarHBondContact O-N 2.72Å
445K82.1Confident87.4Confident159 Ų15951.1 Ų51.169%0.69126%0.256SS*.THydrogen-bonded Turntrans-75.9-21.1-179.1-64.6-173.1175.3-174.10113.1D443D443-K445 PolarHBondContact O-N 2.86Å; D443-K445 WeakPolarHBondContact OD1-CB 3.48Å; D443-K445 PolarHBondContact OD1-N 2.66Å
446R84.1Confident87.7Confident108 Ų10850 Ų5041%0.40825%0.252SS..THydrogen-bonded Turntrans-113.35.7177.4-63.2-172-175.7156.69.6113.3D443 S444 A448 K475D443-R446 PolarHBondContact O-N 3.17Å; D443-R446 PolarHBondContact OD1-N 3.03Å; D443-R446 VanDerWaalsContact OD2-CD 3.26Å; D443-R446 WeakPolarHBondContact OD2-CD 3.28Å; D443-R446 WeakPolarHBondContact OD2-CG 3.44Å; D443-R446 IonicContact OD2-NE 3.13Å; S444-R446 VanDerWaalsContact C-N 3.32Å; S444-R446 PolarHBondContact O-N 2.72Å; R446-A448 HydrophobicContact CB-CB 3.98Å; R446-A448 PolarHBondContact O-N 3.31Å; R446-K475 PolarHBondContact O-NZ 3.12Å
447E82.4Confident87.9Confident173 Ų17349 Ų4981%0.80825%0.249SC*.THydrogen-bonded Turntrans46.149.6-171.5-60178.2150.900109.9D443 K475D443-E447 PolarHBondContact O-N 2.74Å; D443-E447 VanDerWaalsContact O-N 3.14Å; E447-K475 PolarHBondContact O-NZ 2.99Å
448A87.3Confident87.9Confident8 Ų847.3 Ų47.37%0.06624%0.239CC..EExtended strand (participates in β ladder)trans-122.9126.6-17200000109.6D443 R446 K475D443-A448 HydrophobicContact CB-CB 4.29Å; D443-A448 PolarHBondContact N-O 3.34Å; D443-A448 PolarHBondContact O-N 2.94Å; R446-A448 HydrophobicContact CB-CB 3.98Å; R446-A448 PolarHBondContact O-N 3.31Å; A448-K475 HydrophobicContact CB-CD 4.27Å; A448-K475 HydrophobicContact CB-CG 4.14Å
449F89.5Confident87.9Confident35 Ų3550.1 Ų50.115%0.15426%0.256CS..EExtended strand (participates in β ladder)trans-112.4133170.7-177.2-125.8000107.6L425 F427 M440 I442 V451 F476L425-F449 HydrophobicContact CB-CE1 4.23Å; L425-F449 HydrophobicContact CB-CZ 3.87Å; L425-F449 HydrophobicContact CD1-CE2 4.37Å; L425-F449 HydrophobicContact CD1-CZ 4.22Å; L425-F449 HydrophobicContact CD2-CE2 4.41Å; L425-F449 HydrophobicContact CD2-CZ 4.35Å; L425-F449 HydrophobicContact CG-CZ 4.38Å; L425-F449 WeakPolarHBondContact O-CE1 3.34Å; F427-F449 HydrophobicContact CE2-CZ 4.08Å; M440-F449 HydrophobicContact CB-CE2 3.69Å; M440-F449 HydrophobicContact CB-CZ 3.99Å; M440-F449 HydrophobicContact CG-CE2 3.78Å; M440-F449 HydrophobicContact CG-CZ 4.27Å; M440-F449 HydrophobicContact SD-CE2 3.88Å; M440-F449 HydrophobicContact SD-CZ 3.97Å; I442-F449 HydrophobicContact CG1-CD2 3.83Å; I442-F449 HydrophobicContact CG1-CE2 3.92Å; F449-V451 HydrophobicContact CD1-CG2 4.08Å; F449-V451 HydrophobicContact CE1-CG2 3.41Å; F449-V451 VanDerWaalsContact CE1-CG2 3.41Å; F449-V451 HydrophobicContact CE2-CG2 4.49Å; F449-V451 HydrophobicContact CZ-CG2 3.66Å; F449-F476 HydrophobicContact CD1-CB 4.24Å; F449-F476 AromaticContact CD1-CD1 3.73Å; F449-F476 HydrophobicContact CD1-CD1 3.73Å; F449-F476 HydrophobicContact CD1-CG 4.38Å; F449-F476 AromaticContact CE1-CD1 3.77Å; F449-F476 HydrophobicContact CE1-CD1 3.77Å; F449-F476 HydrophobicContact CE1-CE1 4.31Å; F449-F476 PolarHBondContact O-N 2.77Å
450H93.1Very high87.8Confident12 Ų1250.4 Ų50.46%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-126.3136.5-179.9-56.5-76.7000108.7M440 I441 F464 F468 L473 P474M440-H450 CarbonylContact C-O 3.57Å; M440-H450 WeakPolarHBondContact CA-O 3.33Å; M440-H450 VanDerWaalsContact CB-O 3.24Å; M440-H450 WeakPolarHBondContact CB-O 3.21Å; I441-H450 HydrophobicContact CB-CB 4.3Å; I441-H450 PolarHBondContact N-O 2.92Å; I441-H450 PolarHBondContact O-N 3Å; H450-F464 HydrophobicContact CB-CE2 4.32Å; H450-F464 HydrophobicContact CB-CZ 4.09Å; H450-F468 AromaticContact CD2-CD2 3.86Å; H450-F468 AromaticContact CD2-CE2 3.93Å; H450-F468 AromaticContact NE2-CD2 3.98Å; H450-F468 AromaticContact NE2-CE2 3.9Å; H450-L473 HydrophobicContact CB-CD1 3.96Å; H450-L473 PolarHBondContact CE1-O 3.24Å; H450-P474 PolarHBondContact ND1-O 3.13Å
451V92.5Very high87.8Confident17 Ų1750.5 Ų50.510%0.10326%0.258CS..EExtended strand (participates in β ladder)trans-122.9132.9-179.6175.30000109.7F427 M440 F449 L453 F476F427-V451 HydrophobicContact CD1-CG1 4.09Å; F427-V451 HydrophobicContact CE1-CG1 3.42Å; F427-V451 VanDerWaalsContact CE1-CG1 3.42Å; F427-V451 HydrophobicContact CE2-CG1 4.45Å; F427-V451 HydrophobicContact CE2-CG2 4.18Å; F427-V451 HydrophobicContact CZ-CB 4.46Å; F427-V451 HydrophobicContact CZ-CG1 3.64Å; F427-V451 HydrophobicContact CZ-CG2 4.05Å; M440-V451 HydrophobicContact CB-CG2 4.42Å; F449-V451 HydrophobicContact CD1-CG2 4.08Å; F449-V451 HydrophobicContact CE1-CG2 3.41Å; F449-V451 VanDerWaalsContact CE1-CG2 3.41Å; F449-V451 HydrophobicContact CE2-CG2 4.49Å; F449-V451 HydrophobicContact CZ-CG2 3.66Å; V451-L453 HydrophobicContact CB-CD2 4.48Å; V451-L453 HydrophobicContact CG1-CD2 3.77Å; V451-L453 HydrophobicContact CG1-CG 4.31Å; V451-L453 PolarHBondContact O-N 3.38Å; V451-F476 HydrophobicContact CB-CB 4.2Å; V451-F476 HydrophobicContact CB-CD2 3.78Å; V451-F476 HydrophobicContact CB-CE2 4.31Å; V451-F476 HydrophobicContact CB-CG 3.92Å; V451-F476 HydrophobicContact CG2-CB 3.9Å; V451-F476 HydrophobicContact CG2-CD1 3.73Å; V451-F476 HydrophobicContact CG2-CD2 3.86Å; V451-F476 HydrophobicContact CG2-CE1 4.2Å; V451-F476 HydrophobicContact CG2-CE2 4.33Å; V451-F476 HydrophobicContact CG2-CG 3.53Å; V451-F476 HydrophobicContact CG2-CZ 4.49Å
452L91.8Very high87.7Confident14 Ų1450.6 Ų50.67%0.07326%0.259CS..  trans-80.4106.1169.9-177.154.6000108.8A439 E454 L456 F464A439-L452 HydrophobicContact CB-CB 4.08Å; A439-L452 HydrophobicContact CB-CD2 4.18Å; A439-L452 PolarHBondContact O-N 3.19Å; L452-E454 HydrophobicContact CD1-CB 3.95Å; L452-E454 HydrophobicContact CD1-CG 4.33Å; L452-L456 HydrophobicContact CD2-CD1 3.56Å; L452-F464 HydrophobicContact CB-CD1 4.11Å; L452-F464 HydrophobicContact CB-CD2 3.89Å; L452-F464 HydrophobicContact CB-CE1 4.11Å; L452-F464 HydrophobicContact CB-CE2 3.91Å; L452-F464 HydrophobicContact CB-CG 4Å; L452-F464 HydrophobicContact CB-CZ 4.02Å; L452-F464 HydrophobicContact CD1-CB 4.14Å; L452-F464 HydrophobicContact CD1-CD2 3.95Å; L452-F464 HydrophobicContact CD1-CG 4.18Å; L452-F464 HydrophobicContact CD2-CB 4.03Å; L452-F464 HydrophobicContact CD2-CD1 4.44Å; L452-F464 HydrophobicContact CD2-CG 4.19Å; L452-F464 HydrophobicContact CG-CD2 4.39Å; L452-F464 HydrophobicContact CG-CG 4.36Å
453L86.8Confident87.8Confident76 Ų7653.1 Ų53.140%0.39827%0.271SS..  trans-88-17-179.6-62.9173.6000113P428 Y431 V451 F476P428-L453 HydrophobicContact CG-CD2 4.36Å; Y431-L453 HydrophobicContact CE2-CD2 4.02Å; Y431-L453 WeakPolarHBondContact OH-CA 3.47Å; Y431-L453 PolarHBondContact OH-O 3.08Å; V451-L453 HydrophobicContact CB-CD2 4.48Å; V451-L453 HydrophobicContact CG1-CD2 3.77Å; V451-L453 HydrophobicContact CG1-CG 4.31Å; V451-L453 PolarHBondContact O-N 3.38Å; L453-F476 HydrophobicContact CD2-CE2 4.21Å
454E85.1Confident88Confident121 Ų12153.2 Ų53.257%0.56527%0.271SS*.SBendtrans-68.6156.9174.6-64.4176.4-176.800111.5L452 L456 S460L452-E454 HydrophobicContact CD1-CB 3.95Å; L452-E454 HydrophobicContact CD1-CG 4.33Å; E454-L456 PolarHBondContact O-N 3.39Å; E454-S460 WeakPolarHBondContact OE2-CB 3.03Å
455P83.6Confident88.5Confident111 Ų11150.7 Ų50.772%0.72125%0.253SS*.  trans-52.1132.1167.3-2535.1000110.8T457 S460P455-T457 PolarHBondContact O-N 3.09Å; P455-T457 VanDerWaalsContact O-N 3.13Å; P455-S460 PolarHBondContact O-OG 2.96Å
456L85.2Confident89Confident27 Ų2743.3 Ų43.314%0.14122%0.222CC..  trans-78.6104.8-173.5-171.866.4000111L234 L247 P437 A439 L452 E454 L461L234-L456 HydrophobicContact CD1-CD2 3.43Å; L234-L456 VanDerWaalsContact CD1-CD2 3.43Å; L247-L456 HydrophobicContact CD2-CD2 3.21Å; L247-L456 HydrophobicContact CD2-CG 3.62Å; P437-L456 HydrophobicContact CB-CB 4.28Å; P437-L456 HydrophobicContact CB-CD2 3.4Å; P437-L456 VanDerWaalsContact CB-CD2 3.4Å; P437-L456 HydrophobicContact CB-CG 4.43Å; A439-L456 HydrophobicContact CB-CD1 3.91Å; L452-L456 HydrophobicContact CD2-CD1 3.56Å; E454-L456 PolarHBondContact O-N 3.39Å; L456-L461 HydrophobicContact CD1-CB 3.97Å; L456-L461 HydrophobicContact CD1-CD1 4.12Å; L456-L461 HydrophobicContact CD1-CG 4.45Å
457T84.1Confident89.4Confident43 Ų4340.3 Ų40.326%0.26421%0.214SC..  trans-116.7169.9175.259.30000109.5E388 P455 T459 S460 L461E388-T457 WeakPolarHBondContact OE1-CB 3.24Å; E388-T457 WeakPolarHBondContact OE2-CB 3.37Å; P455-T457 PolarHBondContact O-N 3.09Å; P455-T457 VanDerWaalsContact O-N 3.13Å; T457-T459 PolarHBondContact O-N 3.08Å; T457-S460 PolarHBondContact N-OG 3.5Å; T457-S460 WeakPolarHBondContact OG1-CB 3.49Å; T457-S460 PolarHBondContact OG1-N 3.44Å; T457-S460 PolarHBondContact OG1-OG 3.42Å; T457-S460 VanDerWaalsContact OG1-OG 3.11Å; T457-L461 VanDerWaalsContact O-CB 3.29Å; T457-L461 WeakPolarHBondContact O-CB 3.46Å; T457-L461 PolarHBondContact O-N 2.74Å; T457-L461 VanDerWaalsContact O-N 3.08Å
458L86.2Confident90Very high1 Ų132.9 Ų32.91%0.00518%0.179CC..Hα-helixtrans-62.8-39.3172.7175.159.4000110.1L250 L254 E388 V392 I462L250-L458 HydrophobicContact CD1-CD1 4Å; L254-L458 HydrophobicContact CD1-CD1 4.36Å; L254-L458 HydrophobicContact CD2-CD1 3.87Å; E388-L458 HydrophobicContact CB-CB 4.09Å; E388-L458 HydrophobicContact CB-CD2 4.19Å; E388-L458 WeakPolarHBondContact OE2-CB 3.35Å; E388-L458 PolarHBondContact OE2-N 3.43Å; E388-L458 VanDerWaalsContact OE2-N 3.11Å; V392-L458 HydrophobicContact CB-CD2 4.46Å; V392-L458 HydrophobicContact CG2-CD2 4.4Å; V392-L458 HydrophobicContact CG2-CG 4.41Å; L458-I462 HydrophobicContact CD1-CD1 3.71Å; L458-I462 HydrophobicContact CD1-CG1 4.35Å; L458-I462 HydrophobicContact CG-CD1 3.99Å; L458-I462 WeakPolarHBondContact O-CB 3.32Å; L458-I462 WeakPolarHBondContact O-CG1 2.96Å; L458-I462 PolarHBondContact O-N 3.14Å
459T88.9Confident90.1Very high63 Ų6334.2 Ų34.239%0.38719%0.186SC..Hα-helixtrans-60.5-54.8175.4-51.30000112.2E388 V392 T457 L461 I462 M463E388-T459 WeakPolarHBondContact OE2-CB 3.47Å; E388-T459 PolarHBondContact OE2-N 3.04Å; E388-T459 PolarHBondContact OE2-OG1 3.26Å; V392-T459 WeakPolarHBondContact CG2-OG1 3.29Å; T457-T459 PolarHBondContact O-N 3.08Å; T459-L461 VanDerWaalsContact C-N 3.34Å; T459-L461 PolarHBondContact O-N 3.2Å; T459-I462 PolarHBondContact O-N 2.84Å; T459-M463 WeakPolarHBondContact O-CB 3.26Å; T459-M463 WeakPolarHBondContact O-CG 3.33Å; T459-M463 PolarHBondContact O-N 3.05Å
460S91.1Very high90.2Very high6 Ų636.9 Ų36.94%0.04220%0.199CC..Hα-helixtrans-67.7-34.9-176.266.80000111.7E454 P455 T457 M463 F464E454-S460 WeakPolarHBondContact OE2-CB 3.03Å; P455-S460 PolarHBondContact O-OG 2.96Å; T457-S460 PolarHBondContact N-OG 3.5Å; T457-S460 WeakPolarHBondContact OG1-CB 3.49Å; T457-S460 PolarHBondContact OG1-N 3.44Å; T457-S460 PolarHBondContact OG1-OG 3.42Å; T457-S460 VanDerWaalsContact OG1-OG 3.11Å; S460-M463 PolarHBondContact O-N 3.32Å; S460-F464 WeakPolarHBondContact O-CB 3.45Å; S460-F464 PolarHBondContact O-N 3.19Å
461L91.8Very high90Very high2 Ų245.1 Ų45.11%0.0123%0.23CC..Hα-helixtrans-65.4-41.4174-173.756.7000112.8L232 L254 A439 L456 T457 T459 V465L232-L461 HydrophobicContact CD1-CD1 4.13Å; L232-L461 HydrophobicContact CD2-CD1 4.05Å; L254-L461 HydrophobicContact CD1-CD2 3.71Å; L254-L461 HydrophobicContact CD1-CG 4.46Å; A439-L461 HydrophobicContact CB-CD1 3.83Å; L456-L461 HydrophobicContact CD1-CB 3.97Å; L456-L461 HydrophobicContact CD1-CD1 4.12Å; L456-L461 HydrophobicContact CD1-CG 4.45Å; T457-L461 VanDerWaalsContact O-CB 3.29Å; T457-L461 WeakPolarHBondContact O-CB 3.46Å; T457-L461 PolarHBondContact O-N 2.74Å; T457-L461 VanDerWaalsContact O-N 3.08Å; T459-L461 VanDerWaalsContact C-N 3.34Å; T459-L461 PolarHBondContact O-N 3.2Å; L461-V465 PolarHBondContact O-N 2.76Å
462I92Very high89.9Confident2 Ų249.5 Ų49.51%0.0125%0.251CS..Hα-helixtrans-65.1-48.4175.1-81.3166.4000110.7V392 I394 F397 L458 T459 F464 V465 V466V392-I462 HydrophobicContact CG1-CD1 3.71Å; I394-I462 HydrophobicContact CG2-CD1 4.01Å; F397-I462 HydrophobicContact CB-CG2 3.85Å; F397-I462 HydrophobicContact CD2-CB 4.31Å; F397-I462 HydrophobicContact CD2-CG1 4.05Å; F397-I462 HydrophobicContact CD2-CG2 4.06Å; F397-I462 HydrophobicContact CE2-CG1 4.29Å; F397-I462 HydrophobicContact CG-CG1 4.19Å; F397-I462 HydrophobicContact CG-CG2 4.15Å; L458-I462 HydrophobicContact CD1-CD1 3.71Å; L458-I462 HydrophobicContact CD1-CG1 4.35Å; L458-I462 HydrophobicContact CG-CD1 3.99Å; L458-I462 WeakPolarHBondContact O-CB 3.32Å; L458-I462 WeakPolarHBondContact O-CG1 2.96Å; L458-I462 PolarHBondContact O-N 3.14Å; T459-I462 PolarHBondContact O-N 2.84Å; I462-F464 VanDerWaalsContact C-N 3.31Å; I462-F464 PolarHBondContact O-N 2.65Å; I462-V465 PolarHBondContact O-N 3.1Å; I462-V466 WeakPolarHBondContact O-CG2 3.37Å; I462-V466 PolarHBondContact O-N 2.85Å
463M92.8Very high89.9Confident78 Ų7850.2 Ų50.238%0.38426%0.255SS..Hα-helixtrans-64.5-35179.5-70.9-55.1-57.900112.2T459 S460 V465 V466 N467T459-M463 WeakPolarHBondContact O-CB 3.26Å; T459-M463 WeakPolarHBondContact O-CG 3.33Å; T459-M463 PolarHBondContact O-N 3.05Å; S460-M463 PolarHBondContact O-N 3.32Å; M463-V465 PolarHBondContact O-N 3.06Å; M463-V466 PolarHBondContact O-N 2.59Å; M463-N467 VanDerWaalsContact O-CB 3.27Å; M463-N467 WeakPolarHBondContact O-CB 3.38Å; M463-N467 PolarHBondContact O-N 3.26Å; M463-N467 PolarHBondContact O-ND2 3.25Å; M463-N467 PolarHBondContact O-OD1 2.78Å
464F94.5Very high90Very high8 Ų851.4 Ų51.44%0.03527%0.268CS..Hα-helixtrans-59.7-45.1173.8-174.8-121.4000112.1L232 A439 I441 H450 L452 S460 I462 F468 L473L232-F464 HydrophobicContact CD1-CD1 3.86Å; L232-F464 HydrophobicContact CD1-CE1 3.87Å; A439-F464 HydrophobicContact CB-CE1 4.48Å; I441-F464 HydrophobicContact CB-CE1 4.42Å; I441-F464 HydrophobicContact CD1-CD1 3.93Å; I441-F464 HydrophobicContact CD1-CE1 3.74Å; I441-F464 HydrophobicContact CD1-CZ 4.28Å; I441-F464 HydrophobicContact CG1-CD1 4.28Å; I441-F464 HydrophobicContact CG1-CE1 3.67Å; I441-F464 HydrophobicContact CG1-CZ 4.25Å; H450-F464 HydrophobicContact CB-CE2 4.32Å; H450-F464 HydrophobicContact CB-CZ 4.09Å; L452-F464 HydrophobicContact CB-CD1 4.11Å; L452-F464 HydrophobicContact CB-CD2 3.89Å; L452-F464 HydrophobicContact CB-CE1 4.11Å; L452-F464 HydrophobicContact CB-CE2 3.91Å; L452-F464 HydrophobicContact CB-CG 4Å; L452-F464 HydrophobicContact CB-CZ 4.02Å; L452-F464 HydrophobicContact CD1-CB 4.14Å; L452-F464 HydrophobicContact CD1-CD2 3.95Å; L452-F464 HydrophobicContact CD1-CG 4.18Å; L452-F464 HydrophobicContact CD2-CB 4.03Å; L452-F464 HydrophobicContact CD2-CD1 4.44Å; L452-F464 HydrophobicContact CD2-CG 4.19Å; L452-F464 HydrophobicContact CG-CD2 4.39Å; L452-F464 HydrophobicContact CG-CG 4.36Å; S460-F464 WeakPolarHBondContact O-CB 3.45Å; S460-F464 PolarHBondContact O-N 3.19Å; I462-F464 VanDerWaalsContact C-N 3.31Å; I462-F464 PolarHBondContact O-N 2.65Å; F464-F468 WeakPolarHBondContact O-CB 3.27Å; F464-F468 PolarHBondContact O-N 2.95Å; F464-L473 HydrophobicContact CD2-CD1 3.64Å; F464-L473 HydrophobicContact CD2-CD2 3.77Å; F464-L473 HydrophobicContact CD2-CG 4.38Å; F464-L473 HydrophobicContact CE2-CD1 3.46Å; F464-L473 VanDerWaalsContact CE2-CD1 3.46Å; F464-L473 HydrophobicContact CE2-CD2 4.03Å; F464-L473 HydrophobicContact CE2-CG 4.4Å; F464-L473 HydrophobicContact CG-CD1 4.38Å; F464-L473 HydrophobicContact CZ-CD1 4.09Å
465V93.5Very high90.2Very high0 Ų049.4 Ų49.40%026%0.257CS..Hα-helixtrans-67.7-40.7175.5172.20000112L232 Y258 F397 L408 L461 I462 M463 F468 T469L232-V465 HydrophobicContact CD1-CG2 4.3Å; L232-V465 HydrophobicContact CD2-CG2 3.77Å; Y258-V465 HydrophobicContact CD2-CG1 3.87Å; Y258-V465 HydrophobicContact CE2-CG1 3.39Å; F397-V465 HydrophobicContact CD2-CB 4.16Å; F397-V465 HydrophobicContact CD2-CG1 4.04Å; F397-V465 HydrophobicContact CE2-CB 3.77Å; F397-V465 HydrophobicContact CE2-CG1 3.64Å; F397-V465 HydrophobicContact CE2-CG2 4.15Å; L408-V465 HydrophobicContact CD2-CB 4.36Å; L408-V465 HydrophobicContact CD2-CG1 3.62Å; L408-V465 HydrophobicContact CD2-CG2 3.97Å; L461-V465 PolarHBondContact O-N 2.76Å; I462-V465 PolarHBondContact O-N 3.1Å; M463-V465 PolarHBondContact O-N 3.06Å; V465-F468 WeakPolarHBondContact O-CB 3.18Å; V465-F468 PolarHBondContact O-N 3.37Å; V465-T469 WeakPolarHBondContact O-CG2 3.41Å; V465-T469 PolarHBondContact O-N 2.78Å; V465-T469 VanDerWaalsContact O-N 3.17Å
466V92.7Very high90.4Very high4 Ų445.8 Ų45.82%0.02423%0.23CC..Hα-helixtrans-59.6-54.7175.1169.50000110.1F397 I462 M463 F468 T469 E470F397-V466 HydrophobicContact CB-CG2 4.32Å; I462-V466 WeakPolarHBondContact O-CG2 3.37Å; I462-V466 PolarHBondContact O-N 2.85Å; M463-V466 PolarHBondContact O-N 2.59Å; V466-F468 PolarHBondContact O-N 3.05Å; V466-T469 PolarHBondContact O-N 3.09Å; V466-T469 PolarHBondContact O-OG1 3.44Å; V466-E470 HydrophobicContact CG1-CG 4.48Å; V466-E470 WeakPolarHBondContact O-CG 3.25Å; V466-E470 PolarHBondContact O-N 2.99Å
467N93.4Very high90.4Very high46 Ų4647.8 Ų47.825%0.24624%0.236CC..Hα-helixtrans-59-33.3179.5-66.8-5.8000112.5M463 R471 I472 L473M463-N467 VanDerWaalsContact O-CB 3.27Å; M463-N467 WeakPolarHBondContact O-CB 3.38Å; M463-N467 PolarHBondContact O-N 3.26Å; M463-N467 PolarHBondContact O-ND2 3.25Å; M463-N467 PolarHBondContact O-OD1 2.78Å; N467-R471 PolarHBondContact O-N 2.54Å; N467-R471 VanDerWaalsContact O-N 3.13Å; N467-I472 HydrophobicContact CB-CB 4.43Å; N467-I472 PolarHBondContact O-N 3.04Å; N467-L473 HydrophobicContact CB-CD2 3.65Å; N467-L473 HydrophobicContact CB-CG 3.93Å
468F93.4Very high90.4Very high17 Ų1748.7 Ų48.78%0.07524%0.235CC..Hα-helixtrans-62.3-51.2173.3173.7-108.4000111.7P230 L408 I441 D443 H450 F464 V465 V466 E470 R471 L473P230-F468 HydrophobicContact CB-CE1 4.04Å; P230-F468 HydrophobicContact CB-CZ 3.84Å; P230-F468 HydrophobicContact CG-CZ 4.43Å; L408-F468 HydrophobicContact CD1-CD1 4.21Å; L408-F468 HydrophobicContact CD1-CE1 3.96Å; L408-F468 HydrophobicContact CD2-CD1 4.46Å; I441-F468 HydrophobicContact CB-CD2 4.39Å; I441-F468 HydrophobicContact CD1-CB 3.51Å; I441-F468 HydrophobicContact CD1-CD1 4.1Å; I441-F468 HydrophobicContact CD1-CD2 4.12Å; I441-F468 HydrophobicContact CD1-CG 3.62Å; I441-F468 HydrophobicContact CG2-CD1 4.3Å; I441-F468 HydrophobicContact CG2-CD2 3.75Å; I441-F468 HydrophobicContact CG2-CE1 4.18Å; I441-F468 HydrophobicContact CG2-CE2 3.62Å; I441-F468 HydrophobicContact CG2-CG 4.1Å; I441-F468 HydrophobicContact CG2-CZ 3.86Å; D443-F468 HydrophobicContact CB-CE2 4.1Å; D443-F468 HydrophobicContact CB-CZ 4.16Å; H450-F468 AromaticContact CD2-CD2 3.86Å; H450-F468 AromaticContact CD2-CE2 3.93Å; H450-F468 AromaticContact NE2-CD2 3.98Å; H450-F468 AromaticContact NE2-CE2 3.9Å; F464-F468 WeakPolarHBondContact O-CB 3.27Å; F464-F468 PolarHBondContact O-N 2.95Å; V465-F468 WeakPolarHBondContact O-CB 3.18Å; V465-F468 PolarHBondContact O-N 3.37Å; V466-F468 PolarHBondContact O-N 3.05Å; F468-E470 VanDerWaalsContact C-N 3.27Å; F468-E470 PolarHBondContact O-N 3.23Å; F468-R471 WeakPolarHBondContact O-CA 3.4Å; F468-R471 PolarHBondContact O-N 3.25Å; F468-L473 HydrophobicContact CB-CD1 3.66Å; F468-L473 HydrophobicContact CB-CG 4.33Å; F468-L473 HydrophobicContact CD2-CD1 4.36Å; F468-L473 HydrophobicContact CG-CD1 4.5Å
469T90.6Very high90.4Very high35 Ų3549.7 Ų49.722%0.21524%0.242CC..Hα-helixtrans-66.5-30-179.3630000113Y258 R400 V465 V466 R471Y258-T469 HydrophobicContact CE2-CG2 4.44Å; Y258-T469 WeakPolarHBondContact OH-CG2 3.48Å; R400-T469 HydrophobicContact CG-CG2 4.33Å; R400-T469 PolarHBondContact NE-OG1 3.23Å; R400-T469 PolarHBondContact NH2-OG1 2.89Å; V465-T469 WeakPolarHBondContact O-CG2 3.41Å; V465-T469 PolarHBondContact O-N 2.78Å; V465-T469 VanDerWaalsContact O-N 3.17Å; V466-T469 PolarHBondContact O-N 3.09Å; V466-T469 PolarHBondContact O-OG1 3.44Å; T469-R471 PolarHBondContact O-N 3.13Å
470E90.4Very high89.9Confident91 Ų9150 Ų5043%0.42524%0.239SC..THydrogen-bonded Turntrans-78-6.2173.6-63.5-178.8177.900112.4R400 V466 F468 I472R400-E470 IonicContact CZ-OE1 3.32Å; R400-E470 IonicContact NH1-OE1 2.69Å; R400-E470 PolarHBondContact NH1-OE1 3.3Å; R400-E470 VanDerWaalsContact NH2-CD 3.3Å; R400-E470 IonicContact NH2-OE1 3.46Å; R400-E470 PolarHBondContact NH2-OE1 3.46Å; V466-E470 HydrophobicContact CG1-CG 4.48Å; V466-E470 WeakPolarHBondContact O-CG 3.25Å; V466-E470 PolarHBondContact O-N 2.99Å; F468-E470 VanDerWaalsContact C-N 3.27Å; F468-E470 PolarHBondContact O-N 3.23Å; E470-I472 VanDerWaalsContact C-N 3.28Å; E470-I472 HydrophobicContact CB-CD1 3.63Å; E470-I472 HydrophobicContact CB-CG1 3.81Å; E470-I472 PolarHBondContact O-N 3.39Å
471R88.7Confident88.7Confident186 Ų18652.7 Ų52.770%0.70225%0.251SS*.THydrogen-bonded Turntrans63.630.2-179.5-43-177.9-175.7-170.30.3113.5N467 F468 T469N467-R471 PolarHBondContact O-N 2.54Å; N467-R471 VanDerWaalsContact O-N 3.13Å; F468-R471 WeakPolarHBondContact O-CA 3.4Å; F468-R471 PolarHBondContact O-N 3.25Å; T469-R471 PolarHBondContact O-N 3.13Å
472I91.3Very high86.7Confident108 Ų10860.4 Ų60.455%0.55428%0.28SS*.  trans-91.4-21.8-179.3-56.8172.9000111.2N467 E470N467-I472 HydrophobicContact CB-CB 4.43Å; N467-I472 PolarHBondContact O-N 3.04Å; E470-I472 VanDerWaalsContact C-N 3.28Å; E470-I472 HydrophobicContact CB-CD1 3.63Å; E470-I472 HydrophobicContact CB-CG1 3.81Å; E470-I472 PolarHBondContact O-N 3.39Å
473L91.6Very high84.2Confident30 Ų3068.3 Ų68.316%0.15731%0.314CS..PPolyproline II helixtrans-65.8130.1-179.8-68-175.2000112.8I441 H450 F464 N467 F468I441-L473 HydrophobicContact CD1-CD1 4.34Å; H450-L473 HydrophobicContact CB-CD1 3.96Å; H450-L473 PolarHBondContact CE1-O 3.24Å; F464-L473 HydrophobicContact CD2-CD1 3.64Å; F464-L473 HydrophobicContact CD2-CD2 3.77Å; F464-L473 HydrophobicContact CD2-CG 4.38Å; F464-L473 HydrophobicContact CE2-CD1 3.46Å; F464-L473 VanDerWaalsContact CE2-CD1 3.46Å; F464-L473 HydrophobicContact CE2-CD2 4.03Å; F464-L473 HydrophobicContact CE2-CG 4.4Å; F464-L473 HydrophobicContact CG-CD1 4.38Å; F464-L473 HydrophobicContact CZ-CD1 4.09Å; N467-L473 HydrophobicContact CB-CD2 3.65Å; N467-L473 HydrophobicContact CB-CG 3.93Å; F468-L473 HydrophobicContact CB-CD1 3.66Å; F468-L473 HydrophobicContact CB-CG 4.33Å; F468-L473 HydrophobicContact CD2-CD1 4.36Å; F468-L473 HydrophobicContact CG-CD1 4.5Å
474P89Confident81.2Confident101 Ų10172 Ų7266%0.65633%0.332SS*.PPolyproline II helixtrans-69.5152.1171.830.8-35.1000111H450H450-P474 PolarHBondContact ND1-O 3.13Å
475K89.2Confident78.1Confident79 Ų7976.2 Ų76.234%0.34336%0.363SS..PPolyproline II helixtrans-65.2134.5165.3-69.3-166176.3-156.60108.9R446 E447 A448 Y477R446-K475 PolarHBondContact O-NZ 3.12Å; E447-K475 PolarHBondContact O-NZ 2.99Å; A448-K475 HydrophobicContact CB-CD 4.27Å; A448-K475 HydrophobicContact CB-CG 4.14Å; K475-Y477 HydrophobicContact CB-CE2 3.88Å
476F89Confident75Confident35 Ų3581.8 Ų81.815%0.15440%0.397CS..PPolyproline II helixtrans-87129.5170.7179.6-90.4000109.3G426 P428 F449 V451 L453G426-F476 WeakPolarHBondContact O-CE1 3.34Å; G426-F476 WeakPolarHBondContact O-CZ 3.12Å; P428-F476 HydrophobicContact CG-CE2 4.42Å; P428-F476 HydrophobicContact CG-CZ 4.33Å; F449-F476 HydrophobicContact CD1-CB 4.24Å; F449-F476 AromaticContact CD1-CD1 3.73Å; F449-F476 HydrophobicContact CD1-CD1 3.73Å; F449-F476 HydrophobicContact CD1-CG 4.38Å; F449-F476 AromaticContact CE1-CD1 3.77Å; F449-F476 HydrophobicContact CE1-CD1 3.77Å; F449-F476 HydrophobicContact CE1-CE1 4.31Å; F449-F476 PolarHBondContact O-N 2.77Å; V451-F476 HydrophobicContact CB-CB 4.2Å; V451-F476 HydrophobicContact CB-CD2 3.78Å; V451-F476 HydrophobicContact CB-CE2 4.31Å; V451-F476 HydrophobicContact CB-CG 3.92Å; V451-F476 HydrophobicContact CG2-CB 3.9Å; V451-F476 HydrophobicContact CG2-CD1 3.73Å; V451-F476 HydrophobicContact CG2-CD2 3.86Å; V451-F476 HydrophobicContact CG2-CE1 4.2Å; V451-F476 HydrophobicContact CG2-CE2 4.33Å; V451-F476 HydrophobicContact CG2-CG 3.53Å; V451-F476 HydrophobicContact CG2-CZ 4.49Å; L453-F476 HydrophobicContact CD2-CE2 4.21Å
477Y84.7Confident72Confident69 Ų6985.5 Ų85.527%0.27144%0.436SS..  trans-115.8132.1170.4-62-76.4000107.8K475 D571 P573 P574K475-Y477 HydrophobicContact CB-CE2 3.88Å; Y477-D571 HydrophobicContact CD1-CB 4.16Å; Y477-P573 HydrophobicContact CD2-CG 4.38Å; Y477-P573 HydrophobicContact CE1-CB 4.4Å; Y477-P573 HydrophobicContact CE1-CG 4.44Å; Y477-P573 HydrophobicContact CE2-CB 4.35Å; Y477-P573 HydrophobicContact CE2-CG 3.96Å; Y477-P574 WeakPolarHBondContact OH-CD 3.37Å
478R84.6Confident68.8Low62 Ų6286.4 Ų86.423%0.23445%0.45CS..  trans-62.4137.8174.4-177.7179.746.8140.18.9109.5G426 A514 G567 G568 K569 N570 D571G426-R478 VanDerWaalsContact CA-CG 3.47Å; R478-A514 WeakPolarHBondContact O-CB 3.37Å; R478-G567 PolarHBondContact NH2-O 3.18Å; R478-G568 PolarHBondContact NH1-O 2.67Å; R478-K569 WeakPolarHBondContact CG-O 3.43Å; R478-N570 CarbonylContact O-C 3.56Å; R478-N570 VanDerWaalsContact O-CA 3.31Å; R478-N570 WeakPolarHBondContact O-CA 3.33Å; R478-D571 HydrophobicContact CB-CB 4.34Å; R478-D571 VanDerWaalsContact CB-CG 3.47Å; R478-D571 WeakPolarHBondContact CB-OD2 3.35Å; R478-D571 IonicContact CZ-OD1 3.6Å; R478-D571 VanDerWaalsContact CZ-OD1 3.24Å; R478-D571 PolarHBondContact N-OD2 3.15Å; R478-D571 VanDerWaalsContact N-OD2 3.11Å; R478-D571 IonicContact NE-OD1 2.76Å; R478-D571 PolarHBondContact NE-OD1 3.17Å; R478-D571 IonicContact NE-OD2 3.46Å; R478-D571 IonicContact NH2-OD1 3.73Å; R478-D571 PolarHBondContact NH2-OD1 2.78Å; R478-D571 PolarHBondContact O-N 3.03Å
479S84.4Confident65.6Low22 Ų2292.9 Ų92.915%0.15448%0.478CS..  trans-137.9144.1178-168.10000109.6E481 D515S479-E481 PolarHBondContact O-N 2.67Å; S479-D515 WeakPolarHBondContact CB-OD2 3.39Å; S479-D515 PolarHBondContact OG-N 3.24Å; S479-D515 PolarHBondContact OG-OD2 2.85Å
480E79.5Confident62.8Low68 Ų6897.3 Ų97.332%0.31851%0.508SS..  trans-74.7107.9171.1177.5159.3-149.100110R482 T513 K569 N570E480-R482 PolarHBondContact O-N 3.49Å; E480-T513 HydrophobicContact CB-CG2 4.41Å; E480-K569 HydrophobicContact CB-CB 4.42Å; E480-K569 HydrophobicContact CB-CD 4.46Å; E480-K569 HydrophobicContact CG-CD 4.42Å; E480-K569 IonicContact OE1-NZ 3.07Å; E480-K569 PolarHBondContact OE1-NZ 3.46Å; E480-K569 WeakPolarHBondContact OE2-CD 3.12Å; E480-K569 IonicContact OE2-NZ 2.66Å; E480-K569 PolarHBondContact OE2-NZ 2.76Å; E480-N570 PolarHBondContact N-OD1 2.94Å
481E65.6Low59.8Low64 Ų6498.8 Ų98.830%0.29952%0.523SS..  trans-58108.8167.5-78.1-176.214900108.4P428 D429 R430 S479 F483P428-E481 HydrophobicContact CB-CG 4.37Å; P428-E481 WeakPolarHBondContact CB-OE1 3.43Å; D429-E481 WeakPolarHBondContact CB-OE2 3.42Å; D429-E481 PolarHBondContact N-OE2 3.28Å; R430-E481 IonicContact CZ-OE1 3.85Å; R430-E481 IonicContact NH1-OE1 2.7Å; R430-E481 PolarHBondContact NH1-OE1 2.93Å; S479-E481 PolarHBondContact O-N 2.67Å; E481-F483 PolarHBondContact O-N 3.29Å; E481-F483 VanDerWaalsContact O-N 3.15Å
482R49.1Very low56.8Low163 Ų16397.3 Ų97.362%0.61552%0.524SS*.  trans-61.6120.4167.4-76.2-170.3-179.1-174.73.9107.4E480 M484 Q511E480-R482 PolarHBondContact O-N 3.49Å; R482-M484 VanDerWaalsContact C-N 3.26Å; R482-M484 PolarHBondContact O-N 2.77Å; R482-Q511 PolarHBondContact NH2-O 2.75Å
483F39.6Very low53.8Low168 Ų16896.6 Ų96.674%0.73753%0.534SS*.  trans-59.790.6165.7-72.7-91.3000109.2D429 E481 S485D429-F483 WeakPolarHBondContact OD2-CZ 3.45Å; E481-F483 PolarHBondContact O-N 3.29Å; E481-F483 VanDerWaalsContact O-N 3.15Å; F483-S485 PolarHBondContact O-N 3.22Å
484M31.4Very low50.6Low155 Ų155100.3 Ų100.376%0.76456%0.558SS**  trans-59.4115.8154.3-74.1-175.5170.300106R482 T486R482-M484 VanDerWaalsContact C-N 3.26Å; R482-M484 PolarHBondContact O-N 2.77Å; M484-T486 PolarHBondContact O-N 2.9Å; M484-T486 VanDerWaalsContact O-N 3.09Å
485S28.8Very low47.8Very low97 Ų97102.7 Ų102.768%0.67856%0.564SS**  trans-56.6117.7171.652.50000108.8F483F483-S485 PolarHBondContact O-N 3.22Å
486T29Very low44.7Very low118 Ų118107 Ų10772%0.72459%0.591SS**THydrogen-bonded Turntrans33.390154.442.20000116.7M484M484-T486 PolarHBondContact O-N 2.9Å; M484-T486 VanDerWaalsContact O-N 3.09Å
487G28.6Very low41.8Very low82 Ų82109.8 Ų109.885%0.84562%0.615SS**THydrogen-bonded Turntrans93.6-2.6147.200000119K489G487-K489 PolarHBondContact O-N 2.98Å
488A26.3Very low39.1Very low65 Ų65112.2 Ų112.254%0.53764%0.641SS.*  trans-71112.9175.600000111.9
489K25.6Very low36.5Very low152 Ų152119.7 Ų119.766%0.66167%0.67SS**  trans-64.1150.5166-76.4179.4179.5172.80110G487 T491 E492G487-K489 PolarHBondContact O-N 2.98Å; K489-T491 PolarHBondContact O-N 3.14Å; K489-E492 PolarHBondContact O-N 3.11Å
490P33.6Very low34Very low129 Ų129123 Ų12384%0.83869%0.693SS**THydrogen-bonded Turntrans-61.6-8.7-170.3-25.835.5000117.2
491T27Very low31.9Very low121 Ų121125.2 Ų125.274%0.74271%0.713SS**THydrogen-bonded Turntrans-116.5-0.7-171.351.70000115.1K489K489-T491 PolarHBondContact O-N 3.14Å
492E25.1Very low30.7Very low156 Ų156126.5 Ų126.573%0.72973%0.727SS**  trans-118.612.9-176.3-73179.8166.800114.2K489 T494K489-E492 PolarHBondContact O-N 3.11Å; E492-T494 PolarHBondContact O-N 2.83Å
493A27.5Very low30.7Very low92 Ų92123 Ų12376%0.7672%0.721SS**  trans-74.949.8169.700000112.4
494T24.7Very low31.3Very low108 Ų108119.8 Ų119.866%0.66372%0.717SS**SBendtrans-115.4102.7175.7-57.10000109.8E492E492-T494 PolarHBondContact O-N 2.83Å
495I29.7Very low32.5Very low152 Ų152116.1 Ų116.178%0.77971%0.706SS**SBendtrans5881.2158.7-47.6167.4000114.8
496N24.9Very low33.8Very low170 Ų170115.3 Ų115.391%0.90970%0.697SS**  trans-157.656.3157.5-104.5-25.1000114.1
497S28.9Very low35.8Very low93 Ų93112.8 Ų112.865%0.6568%0.677SS**SBendtrans-167.4146.7146.259.40000108.5W499S497-W499 PolarHBondContact O-N 3.13Å
498S26.8Very low38Very low119 Ų119113.8 Ų113.883%0.83267%0.67SS**  trans-53.585.1-177.652.20000114.1S500S498-S500 VanDerWaalsContact C-N 3.29Å; S498-S500 PolarHBondContact O-N 2.81Å
499W30.5Very low40.8Very low219 Ų219111.5 Ų111.583%0.8365%0.649SS**  trans-73.888.3160.9-82.372.3000108.3S497S497-W499 PolarHBondContact O-N 3.13Å
500S31.9Very low43.8Very low93 Ų93107.5 Ų107.565%0.6564%0.637SS**PPolyproline II helixtrans-48.1132.5150.549.90000108.2S498S498-S500 VanDerWaalsContact C-N 3.29Å; S498-S500 PolarHBondContact O-N 2.81Å
501P34.6Very low46.4Very low114 Ų114105 Ų10574%0.7462%0.615SS**PPolyproline II helixtrans-51.6140174.1-24.133000109.4D503P501-D503 PolarHBondContact O-N 3.4Å; P501-D503 VanDerWaalsContact O-N 3.13Å
502P41.7Very low49.3Very low91 Ų9199.4 Ų99.459%0.59158%0.58SS**PPolyproline II helixtrans-53.2125.7171.8-21.932.1000108.1P504P502-P504 VanDerWaalsContact O-N 3.17Å
503D49.1Very low52.4Low90 Ų9092.6 Ų92.648%0.48155%0.549SS..PPolyproline II helixtrans-50.5126.3176172.60.5000107.6P501 S505 T506P501-D503 PolarHBondContact O-N 3.4Å; P501-D503 VanDerWaalsContact O-N 3.13Å; D503-S505 PolarHBondContact O-N 3.3Å; D503-S505 WeakPolarHBondContact OD1-CB 3.4Å; D503-S505 PolarHBondContact OD1-N 3.44Å; D503-S505 PolarHBondContact OD1-OG 3.35Å; D503-S505 WeakPolarHBondContact OD2-CB 3.03Å; D503-S505 PolarHBondContact OD2-OG 3.32Å; D503-T506 HydrophobicContact CB-CG2 4.34Å; D503-T506 PolarHBondContact O-N 3.08Å; D503-T506 PolarHBondContact O-OG1 2.91Å
504P52Low55.1Low100 Ų10089 Ų8965%0.64952%0.52SS*.THydrogen-bonded Turntrans-54-19.4178.919.9-32.5000113.6P502 T506 R555P502-P504 VanDerWaalsContact O-N 3.17Å; P504-T506 VanDerWaalsContact C-N 3.3Å; P504-T506 PolarHBondContact O-N 2.85Å; P504-R555 PolarHBondContact O-NH1 2.88Å; P504-R555 PolarHBondContact O-NH2 2.88Å
505S55.7Low57.9Low77 Ų7789.7 Ų89.754%0.53852%0.52SS..THydrogen-bonded Turntrans-63.2-29.9169.481.80000114.1D503 F507D503-S505 PolarHBondContact O-N 3.3Å; D503-S505 WeakPolarHBondContact OD1-CB 3.4Å; D503-S505 PolarHBondContact OD1-N 3.44Å; D503-S505 PolarHBondContact OD1-OG 3.35Å; D503-S505 WeakPolarHBondContact OD2-CB 3.03Å; D503-S505 PolarHBondContact OD2-OG 3.32Å; S505-F507 PolarHBondContact O-N 2.71Å
506T56.6Low60.6Low80 Ų8085.1 Ų85.149%0.49150%0.498SS..  trans-84.5115.4-174.359.60000111.8D503 P504D503-T506 HydrophobicContact CB-CG2 4.34Å; D503-T506 PolarHBondContact O-N 3.08Å; D503-T506 PolarHBondContact O-OG1 2.91Å; P504-T506 VanDerWaalsContact C-N 3.3Å; P504-T506 PolarHBondContact O-N 2.85Å
507F70.4Confident63.6Low66 Ų6677.1 Ų77.129%0.28946%0.456SS..  trans-111.4133.6172175.2-98.6000109.7S505 I509 A551 Y552 R555S505-F507 PolarHBondContact O-N 2.71Å; F507-I509 HydrophobicContact CE1-CG1 3.89Å; F507-I509 HydrophobicContact CZ-CG1 4.3Å; F507-A551 HydrophobicContact CE1-CB 3.61Å; F507-A551 HydrophobicContact CZ-CB 3.44Å; F507-A551 VanDerWaalsContact CZ-CB 3.44Å; F507-Y552 HydrophobicContact CB-CD2 3.85Å; F507-Y552 HydrophobicContact CG-CD2 4.19Å; F507-R555 HydrophobicContact CD2-CG 4.31Å
508S74.5Confident66.2Low102 Ų10277.7 Ų77.771%0.71345%0.448SS*.  trans-135.9139175.861.30000111.5
509I85.2Confident68.9Low17 Ų1778.4 Ų78.49%0.08744%0.438CS..  trans-80.1135.7173.7-58.6177.1000108.9F507 Q511 V547 S548 A551 F562 Q564F507-I509 HydrophobicContact CE1-CG1 3.89Å; F507-I509 HydrophobicContact CZ-CG1 4.3Å; I509-Q511 PolarHBondContact O-N 3.24Å; I509-V547 HydrophobicContact CD1-CG1 4.29Å; I509-S548 WeakPolarHBondContact CD1-OG 3.4Å; I509-A551 HydrophobicContact CG1-CB 4.44Å; I509-F562 HydrophobicContact CG2-CB 4.43Å; I509-Q564 HydrophobicContact CB-CG 4.42Å; I509-Q564 HydrophobicContact CG2-CB 3.97Å; I509-Q564 HydrophobicContact CG2-CG 3.81Å
510T88.5Confident71.6Confident69 Ų6969 Ų6942%0.42340%0.403SS..EExtended strand (participates in β ladder)trans-63.4124.2178.4-58.20000110.7V512 F520 F562 G563 Q564T510-V512 HydrophobicContact CG2-CG2 4.39Å; T510-V512 PolarHBondContact O-N 3.06Å; T510-F520 HydrophobicContact CG2-CD2 4.09Å; T510-F520 HydrophobicContact CG2-CE2 3.91Å; T510-F562 PolarHBondContact N-O 2.74Å; T510-G563 CarbonylContact O-C 3.58Å; T510-G563 WeakPolarHBondContact O-CA 3.47Å; T510-Q564 PolarHBondContact O-N 2.92Å
511Q88.9Confident74Confident76 Ų7666.3 Ų66.336%0.35538%0.382SS..EExtended strand (participates in β ladder)trans-76.6115.9170.7-77.3-72.3-5.500109.9R482 I509 Y533 Q564R482-Q511 PolarHBondContact NH2-O 2.75Å; I509-Q511 PolarHBondContact O-N 3.24Å; Q511-Y533 PolarHBondContact NE2-OH 2.83Å; Q511-Q564 HydrophobicContact CG-CG 4.44Å; Q511-Q564 VanDerWaalsContact NE2-CD 3.3Å; Q511-Q564 VanDerWaalsContact NE2-NE2 3.18Å
512V88.8Confident76Confident3 Ų370 Ų702%0.01838%0.382CS..  trans-103.5138.2-177.7-176.10000108.9T510 F517 F520 Q564 I565T510-V512 HydrophobicContact CG2-CG2 4.39Å; T510-V512 PolarHBondContact O-N 3.06Å; V512-F517 HydrophobicContact CG1-CB 3.96Å; V512-F517 HydrophobicContact CG1-CD2 3.89Å; V512-F517 HydrophobicContact CG1-CG 4.35Å; V512-F520 HydrophobicContact CG1-CB 4.19Å; V512-F520 HydrophobicContact CG2-CB 4.19Å; V512-F520 HydrophobicContact CG2-CD1 3.92Å; V512-F520 HydrophobicContact CG2-CD2 3.9Å; V512-F520 HydrophobicContact CG2-CE1 4.32Å; V512-F520 HydrophobicContact CG2-CE2 4.31Å; V512-F520 HydrophobicContact CG2-CG 3.7Å; V512-Q564 PolarHBondContact N-O 3.19Å; V512-I565 HydrophobicContact CB-CB 4.33Å; V512-I565 HydrophobicContact CG1-CD1 4.49Å; V512-I565 WeakPolarHBondContact O-CG1 3.18Å
513T88.7Confident77.1Confident13 Ų1368 Ų688%0.0837%0.366CS..  trans-113.6169.1174.3640000109.7E480 D515 T516 F517 N570E480-T513 HydrophobicContact CB-CG2 4.41Å; T513-D515 VanDerWaalsContact C-N 3.3Å; T513-D515 PolarHBondContact O-N 2.62Å; T513-T516 PolarHBondContact N-OG1 3.39Å; T513-T516 CarbonylContact O-C 3.57Å; T513-T516 PolarHBondContact O-N 3.14Å; T513-T516 VanDerWaalsContact O-N 3.13Å; T513-T516 PolarHBondContact O-OG1 2.57Å; T513-T516 PolarHBondContact OG1-N 2.82Å; T513-T516 PolarHBondContact OG1-OG1 2.77Å; T513-F517 WeakPolarHBondContact O-CB 3.13Å; T513-F517 PolarHBondContact O-N 3.48Å; T513-N570 VanDerWaalsContact CA-OD1 3.25Å; T513-N570 WeakPolarHBondContact CA-OD1 3.37Å; T513-N570 WeakPolarHBondContact CB-OD1 3.31Å
514A84.5Confident77.8Confident18 Ų1869.2 Ų69.215%0.14937%0.373CS..Hα-helixtrans-55.2-45.8176.300000112R478 T516 F517 N570 D571R478-A514 WeakPolarHBondContact O-CB 3.37Å; A514-T516 VanDerWaalsContact C-N 3.28Å; A514-T516 PolarHBondContact O-N 2.88Å; A514-F517 PolarHBondContact O-N 3.01Å; A514-N570 HydrophobicContact CB-CB 4.25Å; A514-N570 PolarHBondContact N-OD1 3.02Å; A514-N570 VanDerWaalsContact N-OD1 3.08Å; A514-D571 VanDerWaalsContact CB-O 3.24Å; A514-D571 WeakPolarHBondContact CB-O 3.34Å
515D84.4Confident78.7Confident122 Ų12268.3 Ų68.365%0.65238%0.381SS*.Hα-helixtrans-64.6-28.8179.1-50.9-54.7000113.8S479 T513S479-D515 WeakPolarHBondContact CB-OD2 3.39Å; S479-D515 PolarHBondContact OG-N 3.24Å; S479-D515 PolarHBondContact OG-OD2 2.85Å; T513-D515 VanDerWaalsContact C-N 3.3Å; T513-D515 PolarHBondContact O-N 2.62Å
516T86.7Confident79.8Confident55 Ų5568.2 Ų68.234%0.33737%0.371SS..Hα-helixtrans-98.6-5.3-177.554.60000113.1T513 A514 F520T513-T516 PolarHBondContact N-OG1 3.39Å; T513-T516 CarbonylContact O-C 3.57Å; T513-T516 PolarHBondContact O-N 3.14Å; T513-T516 VanDerWaalsContact O-N 3.13Å; T513-T516 PolarHBondContact O-OG1 2.57Å; T513-T516 PolarHBondContact OG1-N 2.82Å; T513-T516 PolarHBondContact OG1-OG1 2.77Å; A514-T516 VanDerWaalsContact C-N 3.28Å; A514-T516 PolarHBondContact O-N 2.88Å; T516-F520 WeakPolarHBondContact O-CB 3.25Å; T516-F520 PolarHBondContact O-N 3.09Å
517F87.6Confident81Confident3 Ų366.2 Ų66.21%0.01336%0.358CS..Hα-helixtrans-65.3-49.9-174.7-173.9-86.2000112.7V512 T513 A514 H519 F520 V521 V530 I565 L572 H576 V585V512-F517 HydrophobicContact CG1-CB 3.96Å; V512-F517 HydrophobicContact CG1-CD2 3.89Å; V512-F517 HydrophobicContact CG1-CG 4.35Å; T513-F517 WeakPolarHBondContact O-CB 3.13Å; T513-F517 PolarHBondContact O-N 3.48Å; A514-F517 PolarHBondContact O-N 3.01Å; F517-H519 VanDerWaalsContact C-N 3.33Å; F517-H519 PolarHBondContact O-N 3.44Å; F517-F520 PolarHBondContact O-N 2.85Å; F517-F520 VanDerWaalsContact O-N 3.09Å; F517-V521 HydrophobicContact CD1-CG2 4.06Å; F517-V521 HydrophobicContact CE1-CB 4.46Å; F517-V521 HydrophobicContact CE1-CG2 3.65Å; F517-V521 HydrophobicContact CE2-CG2 4.26Å; F517-V521 HydrophobicContact CZ-CG2 3.78Å; F517-V521 WeakPolarHBondContact O-CG2 3.47Å; F517-V521 PolarHBondContact O-N 3.42Å; F517-V530 HydrophobicContact CE2-CB 4.26Å; F517-V530 HydrophobicContact CE2-CG1 4.05Å; F517-V530 HydrophobicContact CE2-CG2 4.13Å; F517-I565 HydrophobicContact CD2-CD1 4.06Å; F517-L572 HydrophobicContact CB-CD2 3.82Å; F517-L572 HydrophobicContact CD1-CD2 3.93Å; F517-L572 HydrophobicContact CD2-CD1 4.01Å; F517-L572 HydrophobicContact CD2-CD2 3.56Å; F517-L572 HydrophobicContact CD2-CG 4.46Å; F517-L572 HydrophobicContact CE1-CD2 4.39Å; F517-L572 HydrophobicContact CE2-CD1 3.65Å; F517-L572 HydrophobicContact CE2-CD2 4.05Å; F517-L572 HydrophobicContact CG-CD2 3.48Å; F517-L572 VanDerWaalsContact CG-CD2 3.48Å; F517-L572 HydrophobicContact CZ-CD1 3.96Å; F517-L572 HydrophobicContact CZ-CD2 4.43Å; F517-H576 AromaticContact CD1-CD2 3.64Å; F517-H576 HydrophobicContact CE1-CB 3.75Å; F517-H576 AromaticContact CE1-CD2 3.38Å; F517-H576 WeakPolarHBondContact CE1-CD2 3.45Å; F517-H576 AromaticContact CE1-CG 3.49Å; F517-H576 VanDerWaalsContact CE1-CG 3.49Å; F517-H576 AromaticContact CE1-NE2 3.95Å; F517-H576 HydrophobicContact CZ-CB 4.17Å; F517-V585 HydrophobicContact CZ-CB 4.31Å; F517-V585 HydrophobicContact CZ-CG1 4.11Å; F517-V585 HydrophobicContact CZ-CG2 4.26Å
518E83.2Confident81.7Confident105 Ų10563.2 Ų63.249%0.49135%0.345SS..Hα-helixtrans-62.6-43.2-179.2-166.6-170.6177.400110.7F520 V521 R522E518-F520 PolarHBondContact O-N 3.37Å; E518-V521 PolarHBondContact O-N 3.15Å; E518-R522 WeakPolarHBondContact O-CB 3.45Å; E518-R522 PolarHBondContact O-N 2.6Å; E518-R522 IonicContact OE1-CZ 2.78Å; E518-R522 IonicContact OE1-NE 2.94Å; E518-R522 IonicContact OE1-NH1 2.77Å; E518-R522 PolarHBondContact OE1-NH1 2.91Å
519H84.1Confident82.3Confident134 Ų13458.6 Ų58.662%0.6231%0.312SS*.Hα-helixtrans-58.9-48172.2-171.9-58.9000110.6F517 V521 D523F517-H519 VanDerWaalsContact C-N 3.33Å; F517-H519 PolarHBondContact O-N 3.44Å; H519-V521 VanDerWaalsContact C-N 3.32Å; H519-V521 PolarHBondContact O-N 3.16Å; H519-D523 IonicContact CE1-OD1 2.83Å; H519-D523 WeakPolarHBondContact O-CB 3.34Å; H519-D523 PolarHBondContact O-N 2.92Å
520F86.4Confident82.4Confident22 Ų2257.9 Ų57.910%0.09631%0.308CS..Hα-helixtrans-59.7-41-178.7-173.8-94.6000112.6T510 V512 T516 F517 E518 A528 V530 K561T510-F520 HydrophobicContact CG2-CD2 4.09Å; T510-F520 HydrophobicContact CG2-CE2 3.91Å; V512-F520 HydrophobicContact CG1-CB 4.19Å; V512-F520 HydrophobicContact CG2-CB 4.19Å; V512-F520 HydrophobicContact CG2-CD1 3.92Å; V512-F520 HydrophobicContact CG2-CD2 3.9Å; V512-F520 HydrophobicContact CG2-CE1 4.32Å; V512-F520 HydrophobicContact CG2-CE2 4.31Å; V512-F520 HydrophobicContact CG2-CG 3.7Å; T516-F520 WeakPolarHBondContact O-CB 3.25Å; T516-F520 PolarHBondContact O-N 3.09Å; F517-F520 PolarHBondContact O-N 2.85Å; F517-F520 VanDerWaalsContact O-N 3.09Å; E518-F520 PolarHBondContact O-N 3.37Å; F520-A528 HydrophobicContact CD1-CB 4.05Å; F520-A528 HydrophobicContact CE1-CB 3.83Å; F520-V530 HydrophobicContact CD1-CG2 3.6Å; F520-V530 HydrophobicContact CE1-CG2 3.62Å; F520-K561 HydrophobicContact CE1-CG 4.45Å; F520-K561 HydrophobicContact CE2-CD 4.28Å; F520-K561 HydrophobicContact CE2-CG 4.49Å; F520-K561 HydrophobicContact CZ-CB 4.33Å; F520-K561 HydrophobicContact CZ-CD 4.24Å; F520-K561 HydrophobicContact CZ-CG 4Å; F520-K561 WeakPolarHBondContact O-CE 3.43Å; F520-K561 PolarHBondContact O-NZ 2.74Å
521V83.3Confident82.4Confident35 Ų3554.6 Ų54.621%0.21229%0.288CS..Hα-helixtrans-82.5-36.2-176176.80000113.2F517 E518 H519 A528 V530F517-V521 HydrophobicContact CD1-CG2 4.06Å; F517-V521 HydrophobicContact CE1-CB 4.46Å; F517-V521 HydrophobicContact CE1-CG2 3.65Å; F517-V521 HydrophobicContact CE2-CG2 4.26Å; F517-V521 HydrophobicContact CZ-CG2 3.78Å; F517-V521 WeakPolarHBondContact O-CG2 3.47Å; F517-V521 PolarHBondContact O-N 3.42Å; E518-V521 PolarHBondContact O-N 3.15Å; H519-V521 VanDerWaalsContact C-N 3.32Å; H519-V521 PolarHBondContact O-N 3.16Å; V521-A528 HydrophobicContact CB-CB 4.43Å; V521-A528 HydrophobicContact CG2-CB 4.23Å; V521-V530 HydrophobicContact CG2-CG2 4.18Å
522R76.6Confident82.2Confident192 Ų19252.4 Ų52.473%0.72528%0.278SS*.Hα-helixtrans-86.7-17-173.9-159.4175.174.7-177.56114.3E518E518-R522 WeakPolarHBondContact O-CB 3.45Å; E518-R522 PolarHBondContact O-N 2.6Å; E518-R522 IonicContact OE1-CZ 2.78Å; E518-R522 IonicContact OE1-NE 2.94Å; E518-R522 IonicContact OE1-NH1 2.77Å; E518-R522 PolarHBondContact OE1-NH1 2.91Å
523D63.5Low82Confident49 Ų4953.9 Ų53.926%0.26228%0.284SS..SBendtrans-75.5144.9-170.2160.568.8000115.9H519 G525 K561H519-D523 IonicContact CE1-OD1 2.83Å; H519-D523 WeakPolarHBondContact O-CB 3.34Å; H519-D523 PolarHBondContact O-N 2.92Å; D523-G525 VanDerWaalsContact C-N 3.26Å; D523-G525 PolarHBondContact O-N 2.89Å; D523-K561 VanDerWaalsContact CB-NZ 3.35Å; D523-K561 PolarHBondContact O-NZ 3.13Å; D523-K561 IonicContact OD2-NZ 2.77Å; D523-K561 PolarHBondContact OD2-NZ 3.32Å
524D63.8Low81.7Confident116 Ų11653.4 Ų53.462%0.6228%0.281SS*.THydrogen-bonded Turntrans57.112.4163.7-964.4000118.9K526D524-K526 HydrophobicContact CB-CD 4.2Å; D524-K526 HydrophobicContact CB-CG 4.31Å; D524-K526 PolarHBondContact O-N 2.73Å; D524-K526 VanDerWaalsContact O-N 3.12Å; D524-K526 IonicContact OD2-NZ 2.75Å; D524-K526 PolarHBondContact OD2-NZ 3.25Å
525G71.1Confident81.5Confident81 Ų8158.6 Ų58.684%0.83530%0.3SS*.THydrogen-bonded Turntrans66.413.3179.300000114.3D523D523-G525 VanDerWaalsContact C-N 3.26Å; D523-G525 PolarHBondContact O-N 2.89Å
526K79.1Confident81.1Confident75 Ų7562 Ų6233%0.32630%0.304SS..  trans-88.7140176.3-61.6170.7-175.8135.60109.5D524 A528 S558 K561D524-K526 HydrophobicContact CB-CD 4.2Å; D524-K526 HydrophobicContact CB-CG 4.31Å; D524-K526 PolarHBondContact O-N 2.73Å; D524-K526 VanDerWaalsContact O-N 3.12Å; D524-K526 IonicContact OD2-NZ 2.75Å; D524-K526 PolarHBondContact OD2-NZ 3.25Å; K526-A528 PolarHBondContact O-N 2.8Å; K526-A528 VanDerWaalsContact O-N 3.09Å; K526-S558 WeakPolarHBondContact CG-O 3.36Å; K526-K561 HydrophobicContact CB-CD 4.05Å; K526-K561 HydrophobicContact CB-CG 4.12Å; K526-K561 HydrophobicContact CD-CD 4.32Å
527N81.5Confident80.7Confident38 Ų3860 Ų6020%0.20329%0.292CS..EExtended strand (participates in β ladder)trans-68.2109.5173-61.7-82.9000109.2S559 V560 K561 F590N527-S559 PolarHBondContact N-O 2.98Å; N527-S559 PolarHBondContact ND2-O 3.14Å; N527-V560 HydrophobicContact CB-CG2 4.43Å; N527-V560 CarbonylContact O-C 3.46Å; N527-V560 WeakPolarHBondContact O-CA 3.12Å; N527-K561 PolarHBondContact O-N 3.41Å; N527-F590 HydrophobicContact CB-CD2 4.5Å; N527-F590 HydrophobicContact CB-CE2 4.48Å
528A86.1Confident80.2Confident2 Ų266 Ų662%0.01732%0.323CS..EExtended strand (participates in β ladder)trans-76.3134.3171.500000110.3F520 V521 K526 K561 M586F520-A528 HydrophobicContact CD1-CB 4.05Å; F520-A528 HydrophobicContact CE1-CB 3.83Å; V521-A528 HydrophobicContact CB-CB 4.43Å; V521-A528 HydrophobicContact CG2-CB 4.23Å; K526-A528 PolarHBondContact O-N 2.8Å; K526-A528 VanDerWaalsContact O-N 3.09Å; A528-K561 CarbonylContact C-O 3.5Å; A528-K561 WeakPolarHBondContact CA-O 3.24Å; A528-K561 HydrophobicContact CB-CG 4.29Å; A528-M586 WeakPolarHBondContact O-CA 3.12Å
529V86.9Confident79.9Confident6 Ų668.2 Ų68.24%0.03633%0.331CS..EExtended strand (participates in β ladder)trans-117.8111.6167.1177.50000107.3V560 K561 F562 G563 L584 M586V529-V560 HydrophobicContact CG2-CG1 3.97Å; V529-K561 PolarHBondContact N-O 2.93Å; V529-F562 HydrophobicContact CB-CD1 3.69Å; V529-F562 HydrophobicContact CB-CE1 3.68Å; V529-F562 HydrophobicContact CB-CG 4.27Å; V529-F562 HydrophobicContact CB-CZ 4.22Å; V529-F562 HydrophobicContact CG1-CD1 3.68Å; V529-F562 HydrophobicContact CG1-CE1 3.52Å; V529-F562 HydrophobicContact CG1-CZ 4.4Å; V529-F562 HydrophobicContact CG2-CD1 4.44Å; V529-F562 HydrophobicContact CG2-CE1 4.01Å; V529-F562 HydrophobicContact CG2-CZ 4.09Å; V529-F562 WeakPolarHBondContact O-CA 3.28Å; V529-G563 PolarHBondContact O-N 3.16Å; V529-L584 HydrophobicContact CG1-CB 4.44Å; V529-L584 HydrophobicContact CG1-CD2 3.47Å; V529-L584 VanDerWaalsContact CG1-CD2 3.47Å; V529-L584 HydrophobicContact CG1-CG 3.67Å; V529-M586 HydrophobicContact CG2-CG 4.08Å; V529-M586 HydrophobicContact CG2-SD 3.83Å
530V87.3Confident79.8Confident1 Ų162 Ų621%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-109.5120.4178-173.30000110.4F517 F520 V521 H532 G563 I565 V585F517-V530 HydrophobicContact CE2-CB 4.26Å; F517-V530 HydrophobicContact CE2-CG1 4.05Å; F517-V530 HydrophobicContact CE2-CG2 4.13Å; F520-V530 HydrophobicContact CD1-CG2 3.6Å; F520-V530 HydrophobicContact CE1-CG2 3.62Å; V521-V530 HydrophobicContact CG2-CG2 4.18Å; V530-H532 PolarHBondContact O-N 3.21Å; V530-G563 WeakPolarHBondContact CA-O 3.47Å; V530-I565 HydrophobicContact CG1-CB 4.25Å; V530-I565 HydrophobicContact CG1-CG2 3.63Å; V530-V585 HydrophobicContact CB-CB 4.48Å; V530-V585 PolarHBondContact N-O 3.48Å; V530-V585 VanDerWaalsContact N-O 3.15Å; V530-V585 PolarHBondContact O-N 2.89Å
531L87.3Confident79.5Confident0 Ų065.7 Ų65.70%032%0.32CS..EExtended strand (participates in β ladder)trans-79.5108.3166.5172.262.2000109.6V543 V547 G563 Q564 I565L531-V543 HydrophobicContact CD1-CG1 4.12Å; L531-V547 HydrophobicContact CB-CG1 4.2Å; L531-V547 HydrophobicContact CB-CG2 4.38Å; L531-V547 HydrophobicContact CD1-CG2 4.25Å; L531-V547 HydrophobicContact CD2-CB 4.21Å; L531-V547 HydrophobicContact CD2-CG2 4.23Å; L531-G563 PolarHBondContact N-O 2.69Å; L531-Q564 HydrophobicContact CB-CB 4.21Å; L531-Q564 CarbonylContact O-C 3.6Å; L531-Q564 VanDerWaalsContact O-CA 3.24Å; L531-Q564 WeakPolarHBondContact O-CA 3.18Å; L531-I565 PolarHBondContact O-N 3.34Å
532H85.7Confident79.3Confident30 Ų3068.3 Ų68.314%0.13934%0.336CS..EExtended strand (participates in β ladder)trans-74.9132.1163.4-171-88.8000109.5V530 I565 G567 I581V530-H532 PolarHBondContact O-N 3.21Å; H532-I565 HydrophobicContact CB-CG2 4.19Å; H532-G567 WeakPolarHBondContact NE2-CA 3.38Å; H532-I581 CarbonylContact C-O 3.1Å; H532-I581 PolarHBondContact ND1-O 2.76Å
533Y85.3Confident79.5Confident35 Ų3560.9 Ų60.914%0.13731%0.312CS..EExtended strand (participates in β ladder)trans-146.7170.5179.478.6-85.4000112.3Q511 K535 Q564 I565 D566 G567Q511-Y533 PolarHBondContact NE2-OH 2.83Å; Y533-K535 HydrophobicContact CE2-CG 4.39Å; Y533-Q564 HydrophobicContact CD1-CB 4.19Å; Y533-Q564 HydrophobicContact CE1-CB 4.01Å; Y533-Q564 HydrophobicContact CE1-CG 4.13Å; Y533-I565 WeakPolarHBondContact CD1-O 3.24Å; Y533-I565 PolarHBondContact N-O 3.21Å; Y533-D566 HydrophobicContact CE1-CB 4.16Å; Y533-D566 HydrophobicContact CE2-CB 4.11Å; Y533-D566 CarbonylContact O-C 3.52Å; Y533-D566 WeakPolarHBondContact O-CA 2.99Å; Y533-G567 PolarHBondContact O-N 2.91Å
534A81.7Confident80.5Confident2 Ų260 Ų602%0.01731%0.31CS..  trans-141.2144.7165.900000110.1W536 C537 I581A534-W536 HydrophobicContact CB-CD2 4.31Å; A534-W536 HydrophobicContact CB-CZ2 4.15Å; A534-W536 PolarHBondContact O-N 2.88Å; A534-W536 VanDerWaalsContact O-N 3.14Å; A534-C537 HydrophobicContact CB-CB 4.17Å; A534-C537 VanDerWaalsContact O-CB 3.32Å; A534-C537 WeakPolarHBondContact O-CB 3.34Å; A534-C537 PolarHBondContact O-N 3.22Å; A534-I581 HydrophobicContact CB-CG2 4.35Å
535K79.8Confident81.4Confident128 Ų12861 Ų6156%0.55731%0.31SS*.THydrogen-bonded Turntrans-59.9-29.4-174.7-65.6-172.6-178.7-166.40114.9Y533 H541 D566Y533-K535 HydrophobicContact CE2-CG 4.39Å; K535-H541 PolarHBondContact O-NE2 3.19Å; K535-D566 VanDerWaalsContact CE-OD2 3.28Å; K535-D566 WeakPolarHBondContact CE-OD2 3.32Å
536W75.8Confident82.1Confident194 Ų19462.4 Ų62.474%0.73530%0.298SS*.THydrogen-bonded Turntrans-87.2-7.6178.254.2-98.3000113.7A534 I538 I581A534-W536 HydrophobicContact CB-CD2 4.31Å; A534-W536 HydrophobicContact CB-CZ2 4.15Å; A534-W536 PolarHBondContact O-N 2.88Å; A534-W536 VanDerWaalsContact O-N 3.14Å; W536-I538 PolarHBondContact O-N 3.01Å; W536-I581 HydrophobicContact CH2-CD1 3.5Å; W536-I581 HydrophobicContact CZ2-CD1 4.36Å; W536-I581 HydrophobicContact CZ3-CD1 4.01Å
537C78.2Confident82.5Confident12 Ų1259.2 Ų59.28%0.08128%0.284CS..  trans-83102.1179.5167.60000110.4A534 F539 C540 H541 I581A534-C537 HydrophobicContact CB-CB 4.17Å; A534-C537 VanDerWaalsContact O-CB 3.32Å; A534-C537 WeakPolarHBondContact O-CB 3.34Å; A534-C537 PolarHBondContact O-N 3.22Å; C537-F539 VanDerWaalsContact C-N 3.33Å; C537-F539 PolarHBondContact O-N 3.42Å; C537-C540 HydrophobicContact CB-CB 3.68Å; C537-C540 WeakPolarHBondContact CB-SG 3.43Å; C537-C540 WeakPolarHBondContact O-CB 3.33Å; C537-C540 PolarHBondContact O-N 3.48Å; C537-C540 VanDerWaalsContact O-N 3.08Å; C537-C540 WeakPolarHBondContact SG-CB 3.42Å; C537-C540 PolarHBondContact SG-N 3.3Å; C537-C540 CovalentContact SG-SG 2.04Å; C537-C540 PolarHBondContact SG-SG 3.29Å; C537-H541 PolarHBondContact O-CD2 2.76Å; C537-H541 VanDerWaalsContact O-CD2 3.27Å; C537-H541 PolarHBondContact O-N 3.22Å; C537-I581 HydrophobicContact CB-CG2 4.23Å
538I77.4Confident82.7Confident129 Ų12959.4 Ų59.466%0.66229%0.289SS*.Hα-helixtrans-58.5-41.6-178.6-164.3117.2000112.7W536 C540 H541W536-I538 PolarHBondContact O-N 3.01Å; I538-C540 VanDerWaalsContact C-N 3.26Å; I538-C540 PolarHBondContact O-N 3.33Å; I538-H541 PolarHBondContact O-N 3.13Å
539F77.5Confident82.7Confident151 Ų15163.2 Ų63.266%0.66231%0.312SS*.Hα-helixtrans-62.7-32176.6-66.8-76.6000113.1C537 H541 T542 V543C537-F539 VanDerWaalsContact C-N 3.33Å; C537-F539 PolarHBondContact O-N 3.42Å; F539-H541 VanDerWaalsContact C-N 3.31Å; F539-H541 PolarHBondContact O-N 3.13Å; F539-T542 WeakPolarHBondContact O-CB 3.39Å; F539-T542 PolarHBondContact O-N 2.74Å; F539-V543 PolarHBondContact O-N 2.66Å
540C81Confident82.7Confident3 Ų364.6 Ų64.62%0.0232%0.323CS..Hα-helixtrans-68.8-31.3-179.5-58.20000111.8C537 I538 V543 S544 V582C537-C540 HydrophobicContact CB-CB 3.68Å; C537-C540 WeakPolarHBondContact CB-SG 3.43Å; C537-C540 WeakPolarHBondContact O-CB 3.33Å; C537-C540 PolarHBondContact O-N 3.48Å; C537-C540 VanDerWaalsContact O-N 3.08Å; C537-C540 WeakPolarHBondContact SG-CB 3.42Å; C537-C540 PolarHBondContact SG-N 3.3Å; C537-C540 CovalentContact SG-SG 2.04Å; C537-C540 PolarHBondContact SG-SG 3.29Å; I538-C540 VanDerWaalsContact C-N 3.26Å; I538-C540 PolarHBondContact O-N 3.33Å; C540-V543 PolarHBondContact O-N 3.2Å; C540-S544 VanDerWaalsContact O-CB 3.23Å; C540-S544 WeakPolarHBondContact O-CB 3.32Å; C540-S544 PolarHBondContact O-N 3.31Å; C540-V582 HydrophobicContact CB-CG2 4.33Å; C540-V582 VanDerWaalsContact SG-CG2 3.51Å
541H80.3Confident82.7Confident101 Ų10164.6 Ų64.647%0.46832%0.324SS..Hα-helixtrans-64.2-44.9171.8-67.4-77.2000111.1K535 C537 I538 F539 V543 S544 H545K535-H541 PolarHBondContact O-NE2 3.19Å; C537-H541 PolarHBondContact O-CD2 2.76Å; C537-H541 VanDerWaalsContact O-CD2 3.27Å; C537-H541 PolarHBondContact O-N 3.22Å; I538-H541 PolarHBondContact O-N 3.13Å; F539-H541 VanDerWaalsContact C-N 3.31Å; F539-H541 PolarHBondContact O-N 3.13Å; H541-V543 PolarHBondContact O-N 3.08Å; H541-S544 WeakPolarHBondContact O-CB 3.28Å; H541-S544 PolarHBondContact O-N 3.2Å; H541-H545 PolarHBondContact O-CD2 3.37Å; H541-H545 VanDerWaalsContact O-CD2 3.23Å; H541-H545 PolarHBondContact O-N 3.32Å
542T79Confident82.7Confident89 Ų8970.9 Ų70.955%0.54635%0.348SS..Hα-helixtrans-59.1-46.3175.3-50.10000112.1F539 H545F539-T542 WeakPolarHBondContact O-CB 3.39Å; F539-T542 PolarHBondContact O-N 2.74Å; T542-H545 PolarHBondContact O-N 3.39Å
543V81.3Confident82.7Confident37 Ų3775.1 Ų75.122%0.22437%0.371CS..Hα-helixtrans-72.9-29.5-179.3177.10000112.2L531 F539 C540 H541 H545 I546 V547 V582L531-V543 HydrophobicContact CD1-CG1 4.12Å; F539-V543 PolarHBondContact O-N 2.66Å; C540-V543 PolarHBondContact O-N 3.2Å; H541-V543 PolarHBondContact O-N 3.08Å; V543-H545 VanDerWaalsContact C-N 3.27Å; V543-H545 PolarHBondContact O-N 3.32Å; V543-I546 WeakPolarHBondContact O-CB 3.44Å; V543-I546 PolarHBondContact O-N 2.91Å; V543-V547 HydrophobicContact CG1-CG2 4.09Å; V543-V547 PolarHBondContact O-N 3.32Å; V543-V582 HydrophobicContact CB-CG1 4.17Å; V543-V582 HydrophobicContact CG1-CG1 3.79Å; V543-V582 HydrophobicContact CG2-CG1 4.09Å
544S84.1Confident82.7Confident30 Ų3076.6 Ų76.621%0.2138%0.381CS..Hα-helixtrans-57.3-38.3174.3-175.40000112.5C540 H541 S548C540-S544 VanDerWaalsContact O-CB 3.23Å; C540-S544 WeakPolarHBondContact O-CB 3.32Å; C540-S544 PolarHBondContact O-N 3.31Å; H541-S544 WeakPolarHBondContact O-CB 3.28Å; H541-S544 PolarHBondContact O-N 3.2Å; S544-S548 VanDerWaalsContact O-CB 3.26Å; S544-S548 WeakPolarHBondContact O-CB 3.41Å; S544-S548 PolarHBondContact O-N 3.11Å; S544-S548 PolarHBondContact O-OG 3.05Å
545H83.7Confident82.8Confident137 Ų13782.3 Ų82.363%0.63440%0.402SS*.Hα-helixtrans-64.7-40173.1-71.2-73000112.9H541 T542 V543 S548 T549H541-H545 PolarHBondContact O-CD2 3.37Å; H541-H545 VanDerWaalsContact O-CD2 3.23Å; H541-H545 PolarHBondContact O-N 3.32Å; T542-H545 PolarHBondContact O-N 3.39Å; V543-H545 VanDerWaalsContact C-N 3.27Å; V543-H545 PolarHBondContact O-N 3.32Å; H545-S548 PolarHBondContact O-N 3.16Å; H545-T549 WeakPolarHBondContact O-CB 3.48Å; H545-T549 PolarHBondContact O-N 3.46Å; H545-T549 PolarHBondContact O-OG1 3.13Å
546I85.5Confident82.9Confident111 Ų11181.3 Ų81.357%0.56941%0.409SS*.Hα-helixtrans-65.5-48.2178-58174.4000110.1V543 S548 T549 A550V543-I546 WeakPolarHBondContact O-CB 3.44Å; V543-I546 PolarHBondContact O-N 2.91Å; I546-S548 PolarHBondContact O-N 3.35Å; I546-T549 PolarHBondContact O-N 2.76Å; I546-A550 WeakPolarHBondContact O-CB 3.39Å; I546-A550 PolarHBondContact O-N 2.74Å
547V86.3Confident83.2Confident8 Ų877.7 Ų77.75%0.04840%0.399CS..Hα-helixtrans-64.3-40.8178.3177.40000111.1I509 L531 V543 T549 A550 A551 F562I509-V547 HydrophobicContact CD1-CG1 4.29Å; L531-V547 HydrophobicContact CB-CG1 4.2Å; L531-V547 HydrophobicContact CB-CG2 4.38Å; L531-V547 HydrophobicContact CD1-CG2 4.25Å; L531-V547 HydrophobicContact CD2-CB 4.21Å; L531-V547 HydrophobicContact CD2-CG2 4.23Å; V543-V547 HydrophobicContact CG1-CG2 4.09Å; V543-V547 PolarHBondContact O-N 3.32Å; V547-T549 VanDerWaalsContact C-N 3.32Å; V547-T549 PolarHBondContact O-N 3.22Å; V547-A550 PolarHBondContact O-N 3.35Å; V547-A551 WeakPolarHBondContact O-CB 3.26Å; V547-A551 PolarHBondContact O-N 2.83Å; V547-F562 HydrophobicContact CG1-CD1 3.93Å; V547-F562 HydrophobicContact CG1-CE1 4.36Å
548S86.1Confident83.4Confident42 Ų4282 Ų8229%0.29443%0.429SS..Hα-helixtrans-61.3-39.8175.1-59.50000112.6I509 S544 H545 I546 Y552I509-S548 WeakPolarHBondContact CD1-OG 3.4Å; S544-S548 VanDerWaalsContact O-CB 3.26Å; S544-S548 WeakPolarHBondContact O-CB 3.41Å; S544-S548 PolarHBondContact O-N 3.11Å; S544-S548 PolarHBondContact O-OG 3.05Å; H545-S548 PolarHBondContact O-N 3.16Å; I546-S548 PolarHBondContact O-N 3.35Å; S548-Y552 WeakPolarHBondContact O-CB 3.49Å; S548-Y552 PolarHBondContact O-N 3.34Å
549T86.4Confident83.5Confident82 Ų8278.6 Ų78.650%0.50342%0.417SS..Hα-helixtrans-67.7-46.8176.4-54.50000111.2H545 I546 V547 A551 Y552 L553H545-T549 WeakPolarHBondContact O-CB 3.48Å; H545-T549 PolarHBondContact O-N 3.46Å; H545-T549 PolarHBondContact O-OG1 3.13Å; I546-T549 PolarHBondContact O-N 2.76Å; V547-T549 VanDerWaalsContact C-N 3.32Å; V547-T549 PolarHBondContact O-N 3.22Å; T549-A551 VanDerWaalsContact C-N 3.32Å; T549-A551 PolarHBondContact O-N 2.83Å; T549-Y552 PolarHBondContact O-N 2.9Å; T549-L553 HydrophobicContact CG2-CD1 4.1Å; T549-L553 WeakPolarHBondContact O-CB 3.43Å; T549-L553 VanDerWaalsContact O-CG 3.3Å; T549-L553 WeakPolarHBondContact O-CG 3.27Å; T549-L553 PolarHBondContact O-N 2.66Å
550A86.8Confident83.9Confident34 Ų3473.2 Ų73.228%0.28140%0.396SS..Hα-helixtrans-60.6-42176.400000111.9I546 V547 L553 L554I546-A550 WeakPolarHBondContact O-CB 3.39Å; I546-A550 PolarHBondContact O-N 2.74Å; V547-A550 PolarHBondContact O-N 3.35Å; A550-L553 PolarHBondContact O-N 2.85Å; A550-L554 VanDerWaalsContact O-CB 3.27Å; A550-L554 WeakPolarHBondContact O-CB 3.3Å; A550-L554 VanDerWaalsContact O-CG 3.3Å; A550-L554 WeakPolarHBondContact O-CG 3.38Å; A550-L554 PolarHBondContact O-N 2.8Å
551A88.2Confident84.1Confident1 Ų174.4 Ų74.41%0.00840%0.401CS..Hα-helixtrans-68.7-36.4179.700000112.8F507 I509 V547 T549 R555 F562F507-A551 HydrophobicContact CE1-CB 3.61Å; F507-A551 HydrophobicContact CZ-CB 3.44Å; F507-A551 VanDerWaalsContact CZ-CB 3.44Å; I509-A551 HydrophobicContact CG1-CB 4.44Å; V547-A551 WeakPolarHBondContact O-CB 3.26Å; V547-A551 PolarHBondContact O-N 2.83Å; T549-A551 VanDerWaalsContact C-N 3.32Å; T549-A551 PolarHBondContact O-N 2.83Å; A551-R555 PolarHBondContact O-N 2.76Å; A551-R555 VanDerWaalsContact O-N 3.12Å; A551-F562 HydrophobicContact CB-CB 3.63Å; A551-F562 HydrophobicContact CB-CD1 3.59Å; A551-F562 HydrophobicContact CB-CD2 3.59Å; A551-F562 HydrophobicContact CB-CE1 4.11Å; A551-F562 HydrophobicContact CB-CE2 4.13Å; A551-F562 HydrophobicContact CB-CG 3.3Å; A551-F562 HydrophobicContact CB-CZ 4.37Å
552Y86.2Confident84.6Confident133 Ų13370.8 Ų70.852%0.52238%0.384SS..Hα-helixtrans-64.4-47.9170.9178.5-95.5000111.8F507 S548 T549 L554 R555F507-Y552 HydrophobicContact CB-CD2 3.85Å; F507-Y552 HydrophobicContact CG-CD2 4.19Å; S548-Y552 WeakPolarHBondContact O-CB 3.49Å; S548-Y552 PolarHBondContact O-N 3.34Å; T549-Y552 PolarHBondContact O-N 2.9Å; Y552-L554 VanDerWaalsContact C-N 3.33Å; Y552-L554 PolarHBondContact O-N 3.43Å; Y552-R555 VanDerWaalsContact O-CB 3.28Å; Y552-R555 WeakPolarHBondContact O-CB 2.91Å; Y552-R555 PolarHBondContact O-N 2.93Å
553L86.2Confident85.1Confident118 Ų11866.5 Ų66.562%0.61836%0.358SS*.Hα-helixtrans-64.7-34.8179.4-70.3172.4000112.9T549 A550 P556T549-L553 HydrophobicContact CG2-CD1 4.1Å; T549-L553 WeakPolarHBondContact O-CB 3.43Å; T549-L553 VanDerWaalsContact O-CG 3.3Å; T549-L553 WeakPolarHBondContact O-CG 3.27Å; T549-L553 PolarHBondContact O-N 2.66Å; A550-L553 PolarHBondContact O-N 2.85Å; L553-P556 WeakPolarHBondContact O-CD 3.02Å
554L86.2Confident85.6Confident66 Ų6666.1 Ų66.135%0.34635%0.354SS..Hα-helixtrans-89.9-2.9-178.7-67.5169.6000114A550 Y552 P556 F557 F562A550-L554 VanDerWaalsContact O-CB 3.27Å; A550-L554 WeakPolarHBondContact O-CB 3.3Å; A550-L554 VanDerWaalsContact O-CG 3.3Å; A550-L554 WeakPolarHBondContact O-CG 3.38Å; A550-L554 PolarHBondContact O-N 2.8Å; Y552-L554 VanDerWaalsContact C-N 3.33Å; Y552-L554 PolarHBondContact O-N 3.43Å; L554-P556 VanDerWaalsContact C-N 3.26Å; L554-P556 VanDerWaalsContact O-N 3.11Å; L554-F557 HydrophobicContact CB-CD2 4.42Å; L554-F557 HydrophobicContact CD2-CD2 3.69Å; L554-F557 HydrophobicContact CD2-CE2 3.89Å; L554-F557 PolarHBondContact O-N 2.93Å; L554-F562 HydrophobicContact CB-CE2 4.02Å; L554-F562 HydrophobicContact CD1-CE2 4Å; L554-F562 HydrophobicContact CD1-CZ 3.73Å
555R82.9Confident85.8Confident122 Ų12264.8 Ų64.846%0.4634%0.344SS..THydrogen-bonded Turntrans-47.6-35176.2-174.2-174.2-179.4-177.30.1115.1P504 F507 A551 Y552 F557P504-R555 PolarHBondContact O-NH1 2.88Å; P504-R555 PolarHBondContact O-NH2 2.88Å; F507-R555 HydrophobicContact CD2-CG 4.31Å; A551-R555 PolarHBondContact O-N 2.76Å; A551-R555 VanDerWaalsContact O-N 3.12Å; Y552-R555 VanDerWaalsContact O-CB 3.28Å; Y552-R555 WeakPolarHBondContact O-CB 2.91Å; Y552-R555 PolarHBondContact O-N 2.93Å; R555-F557 VanDerWaalsContact C-N 3.26Å; R555-F557 PolarHBondContact O-N 3.17Å
556P82.4Confident86Confident108 Ų10858.5 Ų58.570%0.70132%0.315SS*.THydrogen-bonded Turntrans-67.5-20.5176.3-22.335.5000114.6L553 L554 S558L553-P556 WeakPolarHBondContact O-CD 3.02Å; L554-P556 VanDerWaalsContact C-N 3.26Å; L554-P556 VanDerWaalsContact O-N 3.11Å; P556-S558 PolarHBondContact O-N 3.39Å
557F82.7Confident85.9Confident117 Ų11754 Ų5451%0.51330%0.297SS..  trans-88.7101.1-178.4-61.3-82.4000110.7L554 R555 S559 V560L554-F557 HydrophobicContact CB-CD2 4.42Å; L554-F557 HydrophobicContact CD2-CD2 3.69Å; L554-F557 HydrophobicContact CD2-CE2 3.89Å; L554-F557 PolarHBondContact O-N 2.93Å; R555-F557 VanDerWaalsContact C-N 3.26Å; R555-F557 PolarHBondContact O-N 3.17Å; F557-S559 PolarHBondContact O-N 2.93Å; F557-V560 PolarHBondContact O-N 3.32Å
558S80.5Confident85.5Confident102 Ų10254.9 Ų54.971%0.71331%0.307SS*.THydrogen-bonded Turntrans-60.6-12.9178.356.80000114.9K526 P556K526-S558 WeakPolarHBondContact CG-O 3.36Å; P556-S558 PolarHBondContact O-N 3.39Å
559S81.2Confident85.3Confident58 Ų5856.1 Ų56.141%0.40631%0.307SS..THydrogen-bonded Turntrans-83.6-3.8179.958.20000114.9N527 F557N527-S559 PolarHBondContact N-O 2.98Å; N527-S559 PolarHBondContact ND2-O 3.14Å; F557-S559 PolarHBondContact O-N 2.93Å
560V84.7Confident85.3Confident38 Ų3852.4 Ų52.423%0.2328%0.284CS..EExtended strand (participates in β ladder)trans-131.6135.4179.6-170.50000110.2N527 V529 F557 F562N527-V560 HydrophobicContact CB-CG2 4.43Å; N527-V560 CarbonylContact O-C 3.46Å; N527-V560 WeakPolarHBondContact O-CA 3.12Å; V529-V560 HydrophobicContact CG2-CG1 3.97Å; F557-V560 PolarHBondContact O-N 3.32Å; V560-F562 HydrophobicContact CB-CE2 4.46Å; V560-F562 HydrophobicContact CG1-CD2 4.17Å; V560-F562 HydrophobicContact CG1-CE2 3.54Å; V560-F562 HydrophobicContact CG1-CZ 4.09Å
561K86.2Confident85.2Confident28 Ų2853.3 Ų53.312%0.12228%0.284CS..EExtended strand (participates in β ladder)trans-127.7139.6175.558.1-178.4165.9179.20111F520 D523 K526 N527 A528 V529F520-K561 HydrophobicContact CE1-CG 4.45Å; F520-K561 HydrophobicContact CE2-CD 4.28Å; F520-K561 HydrophobicContact CE2-CG 4.49Å; F520-K561 HydrophobicContact CZ-CB 4.33Å; F520-K561 HydrophobicContact CZ-CD 4.24Å; F520-K561 HydrophobicContact CZ-CG 4Å; F520-K561 WeakPolarHBondContact O-CE 3.43Å; F520-K561 PolarHBondContact O-NZ 2.74Å; D523-K561 VanDerWaalsContact CB-NZ 3.35Å; D523-K561 PolarHBondContact O-NZ 3.13Å; D523-K561 IonicContact OD2-NZ 2.77Å; D523-K561 PolarHBondContact OD2-NZ 3.32Å; K526-K561 HydrophobicContact CB-CD 4.05Å; K526-K561 HydrophobicContact CB-CG 4.12Å; K526-K561 HydrophobicContact CD-CD 4.32Å; N527-K561 PolarHBondContact O-N 3.41Å; A528-K561 CarbonylContact C-O 3.5Å; A528-K561 WeakPolarHBondContact CA-O 3.24Å; A528-K561 HydrophobicContact CB-CG 4.29Å; V529-K561 PolarHBondContact N-O 2.93Å
562F89.8Confident84.9Confident25 Ų2554.5 Ų54.511%0.1129%0.29CS..EExtended strand (participates in β ladder)trans-110.6131-176.8-75.1-97.7000112.1I509 T510 V529 V547 A551 L554 V560I509-F562 HydrophobicContact CG2-CB 4.43Å; T510-F562 PolarHBondContact N-O 2.74Å; V529-F562 HydrophobicContact CB-CD1 3.69Å; V529-F562 HydrophobicContact CB-CE1 3.68Å; V529-F562 HydrophobicContact CB-CG 4.27Å; V529-F562 HydrophobicContact CB-CZ 4.22Å; V529-F562 HydrophobicContact CG1-CD1 3.68Å; V529-F562 HydrophobicContact CG1-CE1 3.52Å; V529-F562 HydrophobicContact CG1-CZ 4.4Å; V529-F562 HydrophobicContact CG2-CD1 4.44Å; V529-F562 HydrophobicContact CG2-CE1 4.01Å; V529-F562 HydrophobicContact CG2-CZ 4.09Å; V529-F562 WeakPolarHBondContact O-CA 3.28Å; V547-F562 HydrophobicContact CG1-CD1 3.93Å; V547-F562 HydrophobicContact CG1-CE1 4.36Å; A551-F562 HydrophobicContact CB-CB 3.63Å; A551-F562 HydrophobicContact CB-CD1 3.59Å; A551-F562 HydrophobicContact CB-CD2 3.59Å; A551-F562 HydrophobicContact CB-CE1 4.11Å; A551-F562 HydrophobicContact CB-CE2 4.13Å; A551-F562 HydrophobicContact CB-CG 3.3Å; A551-F562 HydrophobicContact CB-CZ 4.37Å; L554-F562 HydrophobicContact CB-CE2 4.02Å; L554-F562 HydrophobicContact CD1-CE2 4Å; L554-F562 HydrophobicContact CD1-CZ 3.73Å; V560-F562 HydrophobicContact CB-CE2 4.46Å; V560-F562 HydrophobicContact CG1-CD2 4.17Å; V560-F562 HydrophobicContact CG1-CE2 3.54Å; V560-F562 HydrophobicContact CG1-CZ 4.09Å
563G90Very high84.2Confident0 Ų049.4 Ų49.40%027%0.273CS..EExtended strand (participates in β ladder)trans-129.9165.6175.900000111.7T510 V529 V530 L531T510-G563 CarbonylContact O-C 3.58Å; T510-G563 WeakPolarHBondContact O-CA 3.47Å; V529-G563 PolarHBondContact O-N 3.16Å; V530-G563 WeakPolarHBondContact CA-O 3.47Å; L531-G563 PolarHBondContact N-O 2.69Å
564Q90.7Very high83.4Confident29 Ų2947.7 Ų47.714%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-141.3143.5173.161.9-173.3-33.100110I509 T510 Q511 V512 L531 Y533I509-Q564 HydrophobicContact CB-CG 4.42Å; I509-Q564 HydrophobicContact CG2-CB 3.97Å; I509-Q564 HydrophobicContact CG2-CG 3.81Å; T510-Q564 PolarHBondContact O-N 2.92Å; Q511-Q564 HydrophobicContact CG-CG 4.44Å; Q511-Q564 VanDerWaalsContact NE2-CD 3.3Å; Q511-Q564 VanDerWaalsContact NE2-NE2 3.18Å; V512-Q564 PolarHBondContact N-O 3.19Å; L531-Q564 HydrophobicContact CB-CB 4.21Å; L531-Q564 CarbonylContact O-C 3.6Å; L531-Q564 VanDerWaalsContact O-CA 3.24Å; L531-Q564 WeakPolarHBondContact O-CA 3.18Å; Y533-Q564 HydrophobicContact CD1-CB 4.19Å; Y533-Q564 HydrophobicContact CE1-CB 4.01Å; Y533-Q564 HydrophobicContact CE1-CG 4.13Å
565I89.1Confident82.5Confident1 Ų151.3 Ų51.31%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-134.1127.5-177.9-176163.1000110.8V512 F517 V530 L531 H532 Y533 G567 N570 L572V512-I565 HydrophobicContact CB-CB 4.33Å; V512-I565 HydrophobicContact CG1-CD1 4.49Å; V512-I565 WeakPolarHBondContact O-CG1 3.18Å; F517-I565 HydrophobicContact CD2-CD1 4.06Å; V530-I565 HydrophobicContact CG1-CB 4.25Å; V530-I565 HydrophobicContact CG1-CG2 3.63Å; L531-I565 PolarHBondContact O-N 3.34Å; H532-I565 HydrophobicContact CB-CG2 4.19Å; Y533-I565 WeakPolarHBondContact CD1-O 3.24Å; Y533-I565 PolarHBondContact N-O 3.21Å; I565-G567 PolarHBondContact O-N 3.34Å; I565-N570 HydrophobicContact CD1-CB 3.79Å; I565-N570 HydrophobicContact CG1-CB 3.81Å; I565-L572 HydrophobicContact CD1-CD1 4.34Å; I565-L572 HydrophobicContact CD1-CD2 3.83Å; I565-L572 HydrophobicContact CD1-CG 4.2Å
566D87.1Confident82.1Confident5 Ų547.9 Ų47.93%0.02727%0.274CS..EExtended strand (participates in β ladder)trans-80.793.8174.9-169.2-10.3000109Y533 K535 G568 K569 N570Y533-D566 HydrophobicContact CE1-CB 4.16Å; Y533-D566 HydrophobicContact CE2-CB 4.11Å; Y533-D566 CarbonylContact O-C 3.52Å; Y533-D566 WeakPolarHBondContact O-CA 2.99Å; K535-D566 VanDerWaalsContact CE-OD2 3.28Å; K535-D566 WeakPolarHBondContact CE-OD2 3.32Å; D566-G568 PolarHBondContact O-N 2.97Å; D566-G568 VanDerWaalsContact OD1-CA 3.32Å; D566-G568 WeakPolarHBondContact OD1-CA 3.37Å; D566-G568 PolarHBondContact OD1-N 2.68Å; D566-K569 HydrophobicContact CB-CB 4.46Å; D566-K569 CarbonylContact O-C 3.58Å; D566-K569 WeakPolarHBondContact O-CA 3.12Å; D566-K569 PolarHBondContact O-N 3.19Å; D566-N570 PolarHBondContact O-N 2.93Å; D566-N570 PolarHBondContact O-ND2 2.76Å
567G83.7Confident81.1Confident18 Ų1845.7 Ų45.719%0.18627%0.265CS..THydrogen-bonded Turntrans-64-13.3172.300000113.5R478 H532 Y533 I565 K569R478-G567 PolarHBondContact NH2-O 3.18Å; H532-G567 WeakPolarHBondContact NE2-CA 3.38Å; Y533-G567 PolarHBondContact O-N 2.91Å; I565-G567 PolarHBondContact O-N 3.34Å; G567-K569 PolarHBondContact O-N 2.65Å
568G79.3Confident80.1Confident26 Ų2641.8 Ų41.827%0.26825%0.25SS..THydrogen-bonded Turntrans-63.7-16.3164.400000113.1R478 D566R478-G568 PolarHBondContact NH1-O 2.67Å; D566-G568 PolarHBondContact O-N 2.97Å; D566-G568 VanDerWaalsContact OD1-CA 3.32Å; D566-G568 WeakPolarHBondContact OD1-CA 3.37Å; D566-G568 PolarHBondContact OD1-N 2.68Å
569K82Confident78.8Confident67 Ų6744.3 Ų44.329%0.29126%0.256SS..THydrogen-bonded Turntrans-134.8-13.7-174-65.2-177.3174.6-174.10115.8R478 E480 D566 G567R478-K569 WeakPolarHBondContact CG-O 3.43Å; E480-K569 HydrophobicContact CB-CB 4.42Å; E480-K569 HydrophobicContact CB-CD 4.46Å; E480-K569 HydrophobicContact CG-CD 4.42Å; E480-K569 IonicContact OE1-NZ 3.07Å; E480-K569 PolarHBondContact OE1-NZ 3.46Å; E480-K569 WeakPolarHBondContact OE2-CD 3.12Å; E480-K569 IonicContact OE2-NZ 2.66Å; E480-K569 PolarHBondContact OE2-NZ 2.76Å; D566-K569 HydrophobicContact CB-CB 4.46Å; D566-K569 CarbonylContact O-C 3.58Å; D566-K569 WeakPolarHBondContact O-CA 3.12Å; D566-K569 PolarHBondContact O-N 3.19Å; G567-K569 PolarHBondContact O-N 2.65Å
570N86.3Confident77.3Confident4 Ų444.5 Ų44.52%0.02125%0.252CS..  trans-126.6132.1-176.4-61.2-91.8000108.8R478 E480 T513 A514 I565 D566R478-N570 CarbonylContact O-C 3.56Å; R478-N570 VanDerWaalsContact O-CA 3.31Å; R478-N570 WeakPolarHBondContact O-CA 3.33Å; E480-N570 PolarHBondContact N-OD1 2.94Å; T513-N570 VanDerWaalsContact CA-OD1 3.25Å; T513-N570 WeakPolarHBondContact CA-OD1 3.37Å; T513-N570 WeakPolarHBondContact CB-OD1 3.31Å; A514-N570 HydrophobicContact CB-CB 4.25Å; A514-N570 PolarHBondContact N-OD1 3.02Å; A514-N570 VanDerWaalsContact N-OD1 3.08Å; I565-N570 HydrophobicContact CD1-CB 3.79Å; I565-N570 HydrophobicContact CG1-CB 3.81Å; D566-N570 PolarHBondContact O-N 2.93Å; D566-N570 PolarHBondContact O-ND2 2.76Å
571D83.6Confident75.7Confident54 Ų5446 Ų4629%0.28926%0.258SS..  trans-100138.3173.3-51.8-21.4000108.3Y477 R478 A514Y477-D571 HydrophobicContact CD1-CB 4.16Å; R478-D571 HydrophobicContact CB-CB 4.34Å; R478-D571 VanDerWaalsContact CB-CG 3.47Å; R478-D571 WeakPolarHBondContact CB-OD2 3.35Å; R478-D571 IonicContact CZ-OD1 3.6Å; R478-D571 VanDerWaalsContact CZ-OD1 3.24Å; R478-D571 PolarHBondContact N-OD2 3.15Å; R478-D571 VanDerWaalsContact N-OD2 3.11Å; R478-D571 IonicContact NE-OD1 2.76Å; R478-D571 PolarHBondContact NE-OD1 3.17Å; R478-D571 IonicContact NE-OD2 3.46Å; R478-D571 IonicContact NH2-OD1 3.73Å; R478-D571 PolarHBondContact NH2-OD1 2.78Å; R478-D571 PolarHBondContact O-N 3.03Å; A514-D571 VanDerWaalsContact CB-O 3.24Å; A514-D571 WeakPolarHBondContact CB-O 3.34Å
572L81.6Confident73.6Confident25 Ų2546.6 Ų46.613%0.13126%0.264CS..  trans-106.2149.5176.1-69.9178.1000111.1F517 I565 H576F517-L572 HydrophobicContact CB-CD2 3.82Å; F517-L572 HydrophobicContact CD1-CD2 3.93Å; F517-L572 HydrophobicContact CD2-CD1 4.01Å; F517-L572 HydrophobicContact CD2-CD2 3.56Å; F517-L572 HydrophobicContact CD2-CG 4.46Å; F517-L572 HydrophobicContact CE1-CD2 4.39Å; F517-L572 HydrophobicContact CE2-CD1 3.65Å; F517-L572 HydrophobicContact CE2-CD2 4.05Å; F517-L572 HydrophobicContact CG-CD2 3.48Å; F517-L572 VanDerWaalsContact CG-CD2 3.48Å; F517-L572 HydrophobicContact CZ-CD1 3.96Å; F517-L572 HydrophobicContact CZ-CD2 4.43Å; I565-L572 HydrophobicContact CD1-CD1 4.34Å; I565-L572 HydrophobicContact CD1-CD2 3.83Å; I565-L572 HydrophobicContact CD1-CG 4.2Å; L572-H576 HydrophobicContact CB-CB 4.19Å; L572-H576 HydrophobicContact CD1-CB 4.45Å
573P72Confident71.7Confident26 Ų2648.6 Ų48.617%0.16928%0.276CS..  trans-55.5151.1170.8-25.635.2000112.8Y477 E575 H576 A577Y477-P573 HydrophobicContact CD2-CG 4.38Å; Y477-P573 HydrophobicContact CE1-CB 4.4Å; Y477-P573 HydrophobicContact CE1-CG 4.44Å; Y477-P573 HydrophobicContact CE2-CB 4.35Å; Y477-P573 HydrophobicContact CE2-CG 3.96Å; P573-E575 HydrophobicContact CB-CG 4.05Å; P573-E575 WeakPolarHBondContact CB-OE1 3.43Å; P573-E575 WeakPolarHBondContact CB-OE2 3.35Å; P573-E575 PolarHBondContact O-N 2.78Å; P573-E575 VanDerWaalsContact O-N 3.14Å; P573-H576 CarbonylContact O-C 3.55Å; P573-H576 VanDerWaalsContact O-C 3.29Å; P573-H576 WeakPolarHBondContact O-CA 3.1Å; P573-H576 PolarHBondContact O-N 2.75Å; P573-A577 PolarHBondContact O-N 2.94Å
574P69.8Low69.8Low82 Ų8252.5 Ų52.553%0.53230%0.296SS..G310 helixtrans-51.4-36.1179.8-29.937.1000115.3Y477 H576 A577Y477-P574 WeakPolarHBondContact OH-CD 3.37Å; P574-H576 PolarHBondContact O-N 3.49Å; P574-A577 WeakPolarHBondContact O-CB 3.09Å; P574-A577 PolarHBondContact O-N 3.04Å; P574-A577 VanDerWaalsContact O-N 3.11Å
575E67.9Low68Low142 Ų14252.6 Ų52.666%0.66430%0.299SS*.G310 helixtrans-65.2-13.4174.459.1-91.3-151.200114.5P573P573-E575 HydrophobicContact CB-CG 4.05Å; P573-E575 WeakPolarHBondContact CB-OE1 3.43Å; P573-E575 WeakPolarHBondContact CB-OE2 3.35Å; P573-E575 PolarHBondContact O-N 2.78Å; P573-E575 VanDerWaalsContact O-N 3.14Å
576H72.5Confident66Low51 Ų5154.2 Ų54.224%0.23631%0.307CS..G310 helixtrans-123.34.6174.8-59.2-27.8000111.9F517 L572 P573 P574 V578F517-H576 AromaticContact CD1-CD2 3.64Å; F517-H576 HydrophobicContact CE1-CB 3.75Å; F517-H576 AromaticContact CE1-CD2 3.38Å; F517-H576 WeakPolarHBondContact CE1-CD2 3.45Å; F517-H576 AromaticContact CE1-CG 3.49Å; F517-H576 VanDerWaalsContact CE1-CG 3.49Å; F517-H576 AromaticContact CE1-NE2 3.95Å; F517-H576 HydrophobicContact CZ-CB 4.17Å; L572-H576 HydrophobicContact CB-CB 4.19Å; L572-H576 HydrophobicContact CD1-CB 4.45Å; P573-H576 CarbonylContact O-C 3.55Å; P573-H576 VanDerWaalsContact O-C 3.29Å; P573-H576 WeakPolarHBondContact O-CA 3.1Å; P573-H576 PolarHBondContact O-N 2.75Å; P574-H576 PolarHBondContact O-N 3.49Å; H576-V578 VanDerWaalsContact O-CG2 3.26Å; H576-V578 WeakPolarHBondContact O-CG2 3.3Å
577A63.2Low63.9Low62 Ų6255 Ų5551%0.51232%0.316SS..  trans-69.6152.9178.500000110P573 P574P573-A577 PolarHBondContact O-N 2.94Å; P574-A577 WeakPolarHBondContact O-CB 3.09Å; P574-A577 PolarHBondContact O-N 3.04Å; P574-A577 VanDerWaalsContact O-N 3.11Å
578V60.4Low62Low35 Ų3561.9 Ų61.921%0.21235%0.349CS..  trans-132.5111.4-162.1-170.60000108.2H576 N580 N583 V585H576-V578 VanDerWaalsContact O-CG2 3.26Å; H576-V578 WeakPolarHBondContact O-CG2 3.3Å; V578-N580 WeakPolarHBondContact CG1-O 3.13Å; V578-N580 PolarHBondContact O-N 2.87Å; V578-N580 VanDerWaalsContact O-N 3.16Å; V578-N583 HydrophobicContact CG1-CB 3.48Å; V578-N583 VanDerWaalsContact CG1-CB 3.48Å; V578-N583 WeakPolarHBondContact CG1-ND2 3.23Å; V578-V585 HydrophobicContact CG2-CG2 4.16Å
579D53.7Low60.3Low155 Ų15567 Ų6783%0.82937%0.369SS*.SBendtrans-59.8-29.5-175.2-56.9-47.2000113
580N49.8Very low58.1Low61 Ų6166.8 Ų66.833%0.32637%0.368SS..SBendtrans-120.1137-179.5-73.6-63.7000111.5V578 V582 E602V578-N580 WeakPolarHBondContact CG1-O 3.13Å; V578-N580 PolarHBondContact O-N 2.87Å; V578-N580 VanDerWaalsContact O-N 3.16Å; N580-V582 CarbonylContact O-C 3.56Å; N580-V582 PolarHBondContact O-N 3.04Å; N580-E602 PolarHBondContact ND2-OE1 2.93Å
581I51.3Low55.9Low70 Ų7069.3 Ų69.336%0.35939%0.389SS..SBendtrans-56.4-28.8-175.1-56.1175.2000112H532 A534 W536 C537H532-I581 CarbonylContact C-O 3.1Å; H532-I581 PolarHBondContact ND1-O 2.76Å; A534-I581 HydrophobicContact CB-CG2 4.35Å; W536-I581 HydrophobicContact CH2-CD1 3.5Å; W536-I581 HydrophobicContact CZ2-CD1 4.36Å; W536-I581 HydrophobicContact CZ3-CD1 4.01Å; C537-I581 HydrophobicContact CB-CG2 4.23Å
582V41.8Very low53.7Low41 Ų4172.1 Ų72.125%0.24841%0.409CS..SBendtrans-105.4110.5167.8-178.90000109.8C540 V543 N580C540-V582 HydrophobicContact CB-CG2 4.33Å; C540-V582 VanDerWaalsContact SG-CG2 3.51Å; V543-V582 HydrophobicContact CB-CG1 4.17Å; V543-V582 HydrophobicContact CG1-CG1 3.79Å; V543-V582 HydrophobicContact CG2-CG1 4.09Å; N580-V582 CarbonylContact O-C 3.56Å; N580-V582 PolarHBondContact O-N 3.04Å
583N50.8Low51.5Low67 Ų6776.3 Ų76.336%0.35843%0.431SS..  trans-145.8161.2156.6-79.5-51.6000109.4V578V578-N583 HydrophobicContact CG1-CB 3.48Å; V578-N583 VanDerWaalsContact CG1-CB 3.48Å; V578-N583 WeakPolarHBondContact CG1-ND2 3.23Å
584L48.1Very low49.6Very low81 Ų8179.9 Ų79.942%0.42444%0.444SS..EExtended strand (participates in β ladder)trans-89.9118.3162.4-86.367.1000108.6V529 M586V529-L584 HydrophobicContact CG1-CB 4.44Å; V529-L584 HydrophobicContact CG1-CD2 3.47Å; V529-L584 VanDerWaalsContact CG1-CD2 3.47Å; V529-L584 HydrophobicContact CG1-CG 3.67Å; L584-M586 HydrophobicContact CB-CG 4.33Å; L584-M586 HydrophobicContact CD2-CE 4.32Å
585V53.4Low48Very low31 Ų3184.3 Ų84.319%0.18846%0.455CS..EExtended strand (participates in β ladder)trans-77.6121.7158.7-175.50000107.3F517 V530 V578F517-V585 HydrophobicContact CZ-CB 4.31Å; F517-V585 HydrophobicContact CZ-CG1 4.11Å; F517-V585 HydrophobicContact CZ-CG2 4.26Å; V530-V585 HydrophobicContact CB-CB 4.48Å; V530-V585 PolarHBondContact N-O 3.48Å; V530-V585 VanDerWaalsContact N-O 3.15Å; V530-V585 PolarHBondContact O-N 2.89Å; V578-V585 HydrophobicContact CG2-CG2 4.16Å
586M47.8Very low46.5Very low36 Ų3681 Ų8118%0.17746%0.458CS..EExtended strand (participates in β ladder)trans-124.3144.4173.9-72.3-149-93.400111.2A528 V529 L584 F590 F594A528-M586 WeakPolarHBondContact O-CA 3.12Å; V529-M586 HydrophobicContact CG2-CG 4.08Å; V529-M586 HydrophobicContact CG2-SD 3.83Å; L584-M586 HydrophobicContact CB-CG 4.33Å; L584-M586 HydrophobicContact CD2-CE 4.32Å; M586-F590 HydrophobicContact CB-CB 3.94Å; M586-F590 HydrophobicContact CE-CB 3.78Å; M586-F590 HydrophobicContact CE-CD1 4.41Å; M586-F590 HydrophobicContact CE-CG 4.31Å; M586-F590 HydrophobicContact CG-CB 4.43Å; M586-F590 HydrophobicContact SD-CB 3.66Å; M586-F590 HydrophobicContact SD-CG 4.01Å; M586-F594 HydrophobicContact CE-CB 4.32Å; M586-F594 HydrophobicContact CE-CD2 3.44Å; M586-F594 VanDerWaalsContact CE-CD2 3.44Å; M586-F594 HydrophobicContact CE-CE2 3.93Å; M586-F594 HydrophobicContact CE-CG 3.95Å
587G43Very low44.9Very low20 Ų2084.6 Ų84.621%0.20648%0.479CS..  trans-59.6163.8175.100000113.5L589 F590G587-L589 PolarHBondContact O-N 2.77Å; G587-F590 PolarHBondContact O-N 2.64Å
588N43.1Very low43.8Very low164 Ų16489.8 Ų89.888%0.87749%0.49SS*.THydrogen-bonded Turntrans-49.3-19.2-164.2-70.5-9.3000117.5
589L45Very low42.9Very low134 Ų13491 Ų9170%0.70251%0.509SS*.THydrogen-bonded Turntrans-80.7-23.6179.6-128.378.3000114.7G587G587-L589 PolarHBondContact O-N 2.77Å
590F34.4Very low42.5Very low62 Ų6289.2 Ų89.227%0.27249%0.494SS..THydrogen-bonded Turntrans-110.4-12.5-170.9-82.6-80.8000115.3N527 M586 G587 T592 L593 F594N527-F590 HydrophobicContact CB-CD2 4.5Å; N527-F590 HydrophobicContact CB-CE2 4.48Å; M586-F590 HydrophobicContact CB-CB 3.94Å; M586-F590 HydrophobicContact CE-CB 3.78Å; M586-F590 HydrophobicContact CE-CD1 4.41Å; M586-F590 HydrophobicContact CE-CG 4.31Å; M586-F590 HydrophobicContact CG-CB 4.43Å; M586-F590 HydrophobicContact SD-CB 3.66Å; M586-F590 HydrophobicContact SD-CG 4.01Å; G587-F590 PolarHBondContact O-N 2.64Å; F590-T592 PolarHBondContact O-N 2.76Å; F590-T592 VanDerWaalsContact O-N 3.16Å; F590-L593 HydrophobicContact CD1-CD1 4.17Å; F590-L593 HydrophobicContact CE1-CD1 4.3Å; F590-L593 PolarHBondContact O-N 3.12Å; F590-F594 HydrophobicContact CD1-CD2 4.29Å; F590-F594 HydrophobicContact CD1-CE2 4.17Å; F590-F594 PolarHBondContact O-N 2.89Å
591A41Very low42.7Very low56 Ų5691 Ų9146%0.46350%0.499SS..Hα-helixtrans-59.6-26.5179.500000113.7
592T37.5Very low42.9Very low113 Ų11393.4 Ų93.469%0.69351%0.508SS*.Hα-helixtrans-83.2-34.617846.30000113.5F590F590-T592 PolarHBondContact O-N 2.76Å; F590-T592 VanDerWaalsContact O-N 3.16Å
593L34.3Very low44.2Very low114 Ų11492 Ų9260%0.59750%0.5SS*.Hα-helixtrans-76.8-37.8-174.4-74.6167.9000113.3F590F590-L593 HydrophobicContact CD1-CD1 4.17Å; F590-L593 HydrophobicContact CE1-CD1 4.3Å; F590-L593 PolarHBondContact O-N 3.12Å
594F33.7Very low45.2Very low100 Ų10092 Ų9244%0.43950%0.495SS..Hα-helixtrans-90.7-19-175.4-84.4-87.2000115.2M586 F590 G596 L597M586-F594 HydrophobicContact CE-CB 4.32Å; M586-F594 HydrophobicContact CE-CD2 3.44Å; M586-F594 VanDerWaalsContact CE-CD2 3.44Å; M586-F594 HydrophobicContact CE-CE2 3.93Å; M586-F594 HydrophobicContact CE-CG 3.95Å; F590-F594 HydrophobicContact CD1-CD2 4.29Å; F590-F594 HydrophobicContact CD1-CE2 4.17Å; F590-F594 PolarHBondContact O-N 2.89Å; F594-G596 PolarHBondContact O-N 3.09Å; F594-L597 PolarHBondContact O-N 2.83Å
595K35Very low46.7Very low176 Ų17688.1 Ų88.177%0.76548%0.475SS*.Hα-helixtrans-57.3-28.9171.7-96.5-171.8173.3-176.10112.7
596G37.5Very low48.2Very low72 Ų7286.8 Ų86.874%0.74247%0.467SS*.Hα-helixtrans-78.3-19.1179.700000116F594F594-G596 PolarHBondContact O-N 3.09Å
597L38.6Very low50Low126 Ų12685.1 Ų85.166%0.6646%0.459SS*.Hα-helixtrans-105.2-24.4-171.4-81.4164.9000114.9F594F594-L597 PolarHBondContact O-N 2.83Å
598F40.2Very low52Low172 Ų17284.3 Ų84.375%0.75445%0.449SS*.Hα-helixtrans-132.913-177.6-71.1-77.1000114.7K600F598-K600 PolarHBondContact O-N 3.15Å
599G40.7Very low54.1Low59 Ų5976.6 Ų76.661%0.60841%0.409SS*.  trans-63.593.2171.900000111.6K601G599-K601 PolarHBondContact O-N 3.27Å; G599-K601 VanDerWaalsContact O-N 3.14Å
600K45.1Very low56Low118 Ų11870.9 Ų70.951%0.51338%0.379SS..  trans-54.2118.6161.2-77.1-179175.3175.30106.9F598 E602 E642F598-K600 PolarHBondContact O-N 3.15Å; K600-E602 PolarHBondContact O-N 3.45Å; K600-E642 IonicContact NZ-OE2 3.7Å; K600-E642 PolarHBondContact NZ-OE2 3.49Å
601K54.6Low58.1Low99 Ų9970.3 Ų70.343%0.4338%0.378SS..  trans-67.2101.9173.3-176-176.7179.9-170.90107.5G599 V603 N766G599-K601 PolarHBondContact O-N 3.27Å; G599-K601 VanDerWaalsContact O-N 3.14Å; K601-V603 HydrophobicContact CG-CG2 4.38Å; K601-V603 PolarHBondContact O-N 2.99Å; K601-N766 PolarHBondContact NZ-OD1 3.46Å
602E55.1Low60.1Low120 Ų12070.5 Ų70.556%0.56138%0.38SS*.  trans-62.9124.1176.1-68.7-175.7177.200109.6N580 K600N580-E602 PolarHBondContact ND2-OE1 2.93Å; K600-E602 PolarHBondContact O-N 3.45Å
603V69.3Low62.5Low12 Ų1265.2 Ų65.27%0.07335%0.348CS..  trans-122.6115.1177.6-175.20000108K601 I605 I646 S647 Q671 L762K601-V603 HydrophobicContact CG-CG2 4.38Å; K601-V603 PolarHBondContact O-N 2.99Å; V603-I605 HydrophobicContact CG1-CG1 4.3Å; V603-I605 PolarHBondContact O-N 2.97Å; V603-I646 HydrophobicContact CB-CG2 4.49Å; V603-S647 PolarHBondContact O-N 3.46Å; V603-S647 VanDerWaalsContact O-O 3.1Å; V603-S647 PolarHBondContact O-OG 3.43Å; V603-Q671 VanDerWaalsContact CA-OE1 3.31Å; V603-Q671 HydrophobicContact CG1-CB 3.93Å; V603-L762 HydrophobicContact CG1-CB 4.27Å; V603-L762 HydrophobicContact CG1-CD1 3.86Å; V603-L762 HydrophobicContact CG1-CD2 4.03Å; V603-L762 HydrophobicContact CG1-CG 4.27Å
604R72.3Confident65Low66 Ų6660.1 Ų60.125%0.24932%0.323CS..EExtended strand (participates in β ladder)trans-84.4111.6-174.3-170.7170-169.3-92.5-16.7109.9Y666 Q668 T670 Q671 G672R604-Y666 PolarHBondContact NH1-O 2.81Å; R604-Q668 PolarHBondContact NH1-O 3.31Å; R604-T670 PolarHBondContact NH1-OG1 3.02Å; R604-Q671 PolarHBondContact O-N 2.83Å; R604-G672 PolarHBondContact O-N 2.94Å
605I79.6Confident67.4Low1 Ų155.5 Ų55.51%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-115132.1178.9-56.3-168.5000110.3V603 I646 S647 F648 T649 G672 I674 L758 L762V603-I605 HydrophobicContact CG1-CG1 4.3Å; V603-I605 PolarHBondContact O-N 2.97Å; I605-I646 HydrophobicContact CD1-CG2 3.34Å; I605-I646 HydrophobicContact CG1-CG2 3.85Å; I605-S647 PolarHBondContact N-O 3.4Å; I605-F648 HydrophobicContact CB-CD1 3.99Å; I605-F648 HydrophobicContact CB-CE1 4.33Å; I605-F648 HydrophobicContact CD1-CD1 4.26Å; I605-F648 HydrophobicContact CD1-CE1 3.73Å; I605-F648 HydrophobicContact CD1-CZ 4.21Å; I605-F648 HydrophobicContact CG2-CD1 3.89Å; I605-F648 HydrophobicContact CG2-CE1 4.17Å; I605-T649 PolarHBondContact O-N 2.96Å; I605-G672 VanDerWaalsContact CA-O 3.31Å; I605-G672 WeakPolarHBondContact CA-O 3.43Å; I605-I674 HydrophobicContact CG2-CD1 3.87Å; I605-I674 HydrophobicContact CG2-CG1 3.76Å; I605-L758 HydrophobicContact CD1-CD2 3.75Å; I605-L758 HydrophobicContact CD1-CG 4Å; I605-L758 HydrophobicContact CG2-CD2 4.12Å; I605-L762 HydrophobicContact CD1-CD1 3.36Å; I605-L762 HydrophobicContact CG1-CD1 4.11Å
606L84Confident69.2Low3 Ų347.7 Ų47.72%0.01627%0.27CS..EExtended strand (participates in β ladder)trans-103121.8179.1176.359.2000110.2V608 W651 F667 T670 G672 L673 I674L606-V608 HydrophobicContact CD1-CG1 3.91Å; L606-V608 HydrophobicContact CD2-CG1 4.17Å; L606-V608 HydrophobicContact CG-CG1 3.82Å; L606-W651 HydrophobicContact CD1-CB 4.19Å; L606-W651 HydrophobicContact CD1-CD2 4.26Å; L606-W651 HydrophobicContact CD1-CG 3.57Å; L606-F667 HydrophobicContact CD2-CD1 3.73Å; L606-F667 HydrophobicContact CD2-CE1 3.76Å; L606-T670 HydrophobicContact CB-CG2 3.7Å; L606-G672 PolarHBondContact N-O 3.48Å; L606-L673 HydrophobicContact CB-CD1 3.97Å; L606-L673 HydrophobicContact CD2-CD1 3.86Å; L606-L673 HydrophobicContact CG-CD1 3.92Å; L606-L673 CarbonylContact O-C 3.58Å; L606-L673 WeakPolarHBondContact O-CA 3.35Å; L606-I674 PolarHBondContact O-N 2.94Å
607M85.5Confident71.3Confident1 Ų145.1 Ų45.11%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-104.9117.6173.7-175.9-171.8-61.900111.6I618 T649 V650 W651 I674 V676M607-I618 HydrophobicContact CE-CG2 3.76Å; M607-I618 HydrophobicContact SD-CB 4.34Å; M607-I618 HydrophobicContact SD-CG2 4.1Å; M607-T649 PolarHBondContact N-O 3.38Å; M607-V650 HydrophobicContact CB-CB 4.37Å; M607-V650 HydrophobicContact CB-CG1 4.17Å; M607-V650 HydrophobicContact CB-CG2 4.07Å; M607-V650 HydrophobicContact CE-CG2 4Å; M607-V650 HydrophobicContact CG-CG1 4.32Å; M607-V650 HydrophobicContact SD-CG1 3.85Å; M607-V650 HydrophobicContact SD-CG2 3.97Å; M607-W651 WeakPolarHBondContact O-CB 3.37Å; M607-W651 PolarHBondContact O-N 3.43Å; M607-I674 CarbonylContact C-O 3.53Å; M607-I674 WeakPolarHBondContact CA-O 3.49Å; M607-I674 HydrophobicContact CB-CB 4.09Å; M607-I674 HydrophobicContact CE-CD1 3.94Å; M607-I674 HydrophobicContact CE-CG2 4.32Å; M607-I674 HydrophobicContact CG-CB 4.01Å; M607-I674 HydrophobicContact CG-CG2 3.97Å; M607-V676 HydrophobicContact CG-CG2 3.81Å; M607-V676 HydrophobicContact SD-CG2 4.1Å
608V86.3Confident73.5Confident2 Ų239.1 Ų39.11%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-137.2173.5-170.5-78.60000111.6L606 W651 L673 I674 F675 V676 M695L606-V608 HydrophobicContact CD1-CG1 3.91Å; L606-V608 HydrophobicContact CD2-CG1 4.17Å; L606-V608 HydrophobicContact CG-CG1 3.82Å; V608-W651 HydrophobicContact CG1-CB 4.15Å; V608-L673 HydrophobicContact CG2-CD1 3.56Å; V608-L673 HydrophobicContact CG2-CG 4.19Å; V608-I674 PolarHBondContact N-O 2.89Å; V608-F675 HydrophobicContact CG2-CD2 4.12Å; V608-F675 WeakPolarHBondContact O-CA 3.38Å; V608-V676 PolarHBondContact O-N 3.38Å; V608-M695 HydrophobicContact CB-CE 4.39Å; V608-M695 HydrophobicContact CB-SD 4.29Å; V608-M695 HydrophobicContact CG1-SD 4.49Å; V608-M695 HydrophobicContact CG2-CE 3.84Å; V608-M695 HydrophobicContact CG2-SD 3.89Å
609G86.1Confident75.3Confident2 Ų231 Ų312%0.02117%0.173CC..EExtended strand (participates in β ladder)trans147.6172.1-174.400000111.2K615G609-K615 PolarHBondContact O-NZ 3.26Å
610L84.5Confident76.6Confident14 Ų1431.6 Ų31.67%0.07316%0.157CC..SBendtrans-64.3166.9178.4-60.2-175.9000112.4A613 K615 R684 E687 A688 E691L610-A613 WeakPolarHBondContact O-CB 3.4Å; L610-K615 PolarHBondContact O-NZ 2.9Å; L610-R684 HydrophobicContact CD1-CB 3.9Å; L610-E687 HydrophobicContact CD1-CB 4.25Å; L610-E687 HydrophobicContact CD1-CG 4.39Å; L610-E687 HydrophobicContact CD2-CG 4.21Å; L610-A688 HydrophobicContact CD1-CB 3.85Å; L610-A688 HydrophobicContact CG-CB 4.1Å; L610-E691 HydrophobicContact CD2-CG 4.09Å
611D80.4Confident78Confident50 Ų5027.1 Ų27.127%0.26714%0.138SC..THydrogen-bonded Turntrans-58.8154.7167.450.1-76.1000111.8A613 G655 R684D611-A613 PolarHBondContact O-N 2.97Å; D611-G655 VanDerWaalsContact OD1-CA 3.3Å; D611-G655 WeakPolarHBondContact OD1-CA 3.15Å; D611-G655 PolarHBondContact OD1-N 3.09Å; D611-R684 VanDerWaalsContact CG-NH1 3.34Å; D611-R684 PolarHBondContact O-NH2 3.25Å; D611-R684 IonicContact OD1-NH1 3.7Å; D611-R684 PolarHBondContact OD1-NH1 3.5Å; D611-R684 IonicContact OD2-CZ 3.18Å; D611-R684 IonicContact OD2-NH1 2.66Å; D611-R684 PolarHBondContact OD2-NH1 3.42Å; D611-R684 IonicContact OD2-NH2 3.85Å
612A81.6Confident78.9Confident61 Ų6123.6 Ų23.650%0.50412%0.123SC..THydrogen-bonded Turntrans59-2.7-177.100000116.1G614 K712A612-G614 PolarHBondContact O-N 2.84Å; A612-K712 WeakPolarHBondContact O-CE 3.22Å; A612-K712 PolarHBondContact O-NZ 2.91Å
613A87.7Confident79.3Confident1 Ų122.1 Ų22.11%0.00812%0.115CC..SBendtrans-60.7-15.8176.800000114.7L610 D611 V676 N711L610-A613 WeakPolarHBondContact O-CB 3.4Å; D611-A613 PolarHBondContact O-N 2.97Å; A613-V676 HydrophobicContact CB-CB 4.41Å; A613-V676 HydrophobicContact CB-CG1 4.17Å; A613-V676 WeakPolarHBondContact CB-O 3.41Å; A613-V676 VanDerWaalsContact O-CG1 3.3Å; A613-V676 WeakPolarHBondContact O-CG1 3.17Å; A613-N711 PolarHBondContact O-ND2 3.22Å
614G86.4Confident78.4Confident8 Ų826.6 Ų26.68%0.08214%0.138CC..SBendtrans100.810.9174.700000115.3A612 T616 T617 I618A612-G614 PolarHBondContact O-N 2.84Å; G614-T616 VanDerWaalsContact C-N 3.27Å; G614-T616 PolarHBondContact O-N 2.04Å; G614-T617 WeakPolarHBondContact O-CA 3.41Å; G614-T617 WeakPolarHBondContact O-CB 3.49Å; G614-T617 PolarHBondContact O-N 3.21Å; G614-I618 WeakPolarHBondContact O-CG1 3.45Å; G614-I618 PolarHBondContact O-N 2.91Å
615K84Confident77.2Confident3 Ų325.8 Ų25.81%0.01315%0.15CC..Hα-helixtrans-44.5-50.7176.2-52.3-176.6-63.8-99.80112.5G609 L610 I618 L619 W651 D652 V653 V676G609-K615 PolarHBondContact O-NZ 3.26Å; L610-K615 PolarHBondContact O-NZ 2.9Å; K615-I618 PolarHBondContact O-N 3.18Å; K615-L619 WeakPolarHBondContact O-CB 3.2Å; K615-L619 PolarHBondContact O-N 2.88Å; K615-W651 WeakPolarHBondContact CD-O 3.47Å; K615-W651 WeakPolarHBondContact CE-O 3.18Å; K615-D652 WeakPolarHBondContact CE-OD1 3.32Å; K615-D652 IonicContact NZ-OD1 3.02Å; K615-V653 PolarHBondContact NZ-O 3.3Å; K615-V676 HydrophobicContact CG-CB 4.08Å; K615-V676 HydrophobicContact CG-CG2 4.12Å
616T74.5Confident74.8Confident12 Ų1233.1 Ų33.17%0.07418%0.184CC..Hα-helixtrans-68.3-34.8-179.7-44.60000112.5G614 L619 Y620 T630 D652G614-T616 VanDerWaalsContact C-N 3.27Å; G614-T616 PolarHBondContact O-N 2.04Å; T616-L619 WeakPolarHBondContact O-CB 3.45Å; T616-L619 PolarHBondContact O-N 2.73Å; T616-Y620 HydrophobicContact CG2-CD2 3.84Å; T616-Y620 HydrophobicContact CG2-CE2 3.58Å; T616-Y620 WeakPolarHBondContact O-CD2 3.45Å; T616-Y620 PolarHBondContact O-N 3.27Å; T616-T630 HydrophobicContact CG2-CG2 4.16Å; T616-D652 VanDerWaalsContact OG1-CB 3.27Å; T616-D652 WeakPolarHBondContact OG1-CB 3.44Å; T616-D652 PolarHBondContact OG1-OD1 2.94Å; T616-D652 PolarHBondContact OG1-OD2 3.21Å
617T80.9Confident72.2Confident17 Ų1737.3 Ų37.310%0.10421%0.206CC..Hα-helixtrans-66.8-44.6175.4-36.20000110.5G614 Y620 K621 T630 A745 T746G614-T617 WeakPolarHBondContact O-CA 3.41Å; G614-T617 WeakPolarHBondContact O-CB 3.49Å; G614-T617 PolarHBondContact O-N 3.21Å; T617-Y620 PolarHBondContact O-N 3.46Å; T617-K621 VanDerWaalsContact O-CB 3.3Å; T617-K621 WeakPolarHBondContact O-CB 3.45Å; T617-K621 PolarHBondContact O-N 3.46Å; T617-T630 PolarHBondContact OG1-OG1 3.37Å; T617-A745 HydrophobicContact CG2-CB 3.93Å; T617-T746 HydrophobicContact CG2-CG2 4.19Å
618I85.2Confident69.5Low0 Ų041.2 Ų41.20%023%0.23CC..Hα-helixtrans-60.3-48.5173.7-63.8175.8000110.3M607 G614 K615 Y620 K621 L622 V676 F709 A745 L751M607-I618 HydrophobicContact CE-CG2 3.76Å; M607-I618 HydrophobicContact SD-CB 4.34Å; M607-I618 HydrophobicContact SD-CG2 4.1Å; G614-I618 WeakPolarHBondContact O-CG1 3.45Å; G614-I618 PolarHBondContact O-N 2.91Å; K615-I618 PolarHBondContact O-N 3.18Å; I618-Y620 PolarHBondContact O-N 3.23Å; I618-K621 PolarHBondContact O-N 2.94Å; I618-L622 HydrophobicContact CG2-CD1 3.76Å; I618-L622 HydrophobicContact CG2-CG 4.33Å; I618-L622 WeakPolarHBondContact O-CB 3.49Å; I618-L622 VanDerWaalsContact O-CG 3.28Å; I618-L622 WeakPolarHBondContact O-CG 3.3Å; I618-L622 PolarHBondContact O-N 3.41Å; I618-V676 HydrophobicContact CD1-CG1 3.78Å; I618-V676 HydrophobicContact CD1-CG2 4.03Å; I618-F709 HydrophobicContact CD1-CD2 3.86Å; I618-F709 HydrophobicContact CD1-CE2 4.44Å; I618-F709 HydrophobicContact CG2-CE2 4.45Å; I618-A745 HydrophobicContact CD1-CB 4.38Å; I618-A745 HydrophobicContact CG1-CB 3.46Å; I618-A745 VanDerWaalsContact CG1-CB 3.46Å; I618-L751 HydrophobicContact CD1-CD2 3.99Å; I618-L751 HydrophobicContact CG1-CD2 3.86Å; I618-L751 HydrophobicContact CG2-CD1 4.3Å; I618-L751 HydrophobicContact CG2-CD2 4.01Å
619L76.9Confident66.7Low1 Ų147.2 Ų47.21%0.00527%0.266CS..Hα-helixtrans-52.1-53.2175.2165.363.2000112.5K615 T616 L622 K623 E639 V641 V650K615-L619 WeakPolarHBondContact O-CB 3.2Å; K615-L619 PolarHBondContact O-N 2.88Å; T616-L619 WeakPolarHBondContact O-CB 3.45Å; T616-L619 PolarHBondContact O-N 2.73Å; L619-L622 PolarHBondContact O-N 3.31Å; L619-K623 HydrophobicContact CD1-CD 4.01Å; L619-K623 HydrophobicContact CD1-CG 4.2Å; L619-K623 WeakPolarHBondContact O-CB 3.32Å; L619-K623 WeakPolarHBondContact O-CG 3.41Å; L619-K623 PolarHBondContact O-N 2.86Å; L619-E639 HydrophobicContact CD1-CB 3.96Å; L619-E639 HydrophobicContact CD2-CB 3.98Å; L619-E639 HydrophobicContact CD2-CG 4.3Å; L619-V641 HydrophobicContact CD1-CG2 3.21Å; L619-V650 HydrophobicContact CB-CB 4.3Å; L619-V650 HydrophobicContact CB-CG1 4.04Å; L619-V650 HydrophobicContact CB-CG2 4.17Å; L619-V650 HydrophobicContact CD1-CB 4.06Å; L619-V650 HydrophobicContact CD1-CG2 3.88Å; L619-V650 HydrophobicContact CD2-CB 4.13Å; L619-V650 HydrophobicContact CD2-CG1 4.1Å; L619-V650 HydrophobicContact CG-CB 4.39Å; L619-V650 HydrophobicContact CG-CG1 4.5Å; L619-V650 HydrophobicContact CG-CG2 4.47Å
620Y68Low64.2Low73 Ų7349.9 Ų49.929%0.28628%0.282SS..Hα-helixtrans-67-39.1180-79.2-60000112.5T616 T617 I618 L622 K623 L624 T630T616-Y620 HydrophobicContact CG2-CD2 3.84Å; T616-Y620 HydrophobicContact CG2-CE2 3.58Å; T616-Y620 WeakPolarHBondContact O-CD2 3.45Å; T616-Y620 PolarHBondContact O-N 3.27Å; T617-Y620 PolarHBondContact O-N 3.46Å; I618-Y620 PolarHBondContact O-N 3.23Å; Y620-L622 VanDerWaalsContact C-N 3.32Å; Y620-L622 PolarHBondContact O-N 3.46Å; Y620-K623 PolarHBondContact O-N 3.49Å; Y620-L624 HydrophobicContact CD1-CD1 3.99Å; Y620-L624 WeakPolarHBondContact O-CB 3.35Å; Y620-L624 PolarHBondContact O-N 3.08Å; Y620-T630 HydrophobicContact CD2-CG2 4.09Å
621K75.2Confident61.5Low23 Ų2356 Ų5610%0.131%0.314CS..Hα-helixtrans-59-43.5176.1-172.269.6178.4-164.70111.7T617 I618 G625 I627 T746 S747 L751T617-K621 VanDerWaalsContact O-CB 3.3Å; T617-K621 WeakPolarHBondContact O-CB 3.45Å; T617-K621 PolarHBondContact O-N 3.46Å; I618-K621 PolarHBondContact O-N 2.94Å; K621-G625 PolarHBondContact O-N 3.24Å; K621-I627 HydrophobicContact CD-CG1 4.19Å; K621-T746 WeakPolarHBondContact CE-O 3.38Å; K621-T746 PolarHBondContact NZ-O 3.37Å; K621-S747 WeakPolarHBondContact CE-O 3.09Å; K621-S747 PolarHBondContact NZ-O 3.49Å; K621-L751 HydrophobicContact CB-CD1 4.34Å; K621-L751 HydrophobicContact CG-CD1 4Å
622L74Confident58.8Low25 Ų2558.9 Ų58.913%0.13134%0.335CS..Hα-helixtrans-71.8-31.3176.6-66.3172.1000113.1I618 L619 Y620 V641 Y752 L755I618-L622 HydrophobicContact CG2-CD1 3.76Å; I618-L622 HydrophobicContact CG2-CG 4.33Å; I618-L622 WeakPolarHBondContact O-CB 3.49Å; I618-L622 VanDerWaalsContact O-CG 3.28Å; I618-L622 WeakPolarHBondContact O-CG 3.3Å; I618-L622 PolarHBondContact O-N 3.41Å; L619-L622 PolarHBondContact O-N 3.31Å; Y620-L622 VanDerWaalsContact C-N 3.32Å; Y620-L622 PolarHBondContact O-N 3.46Å; L622-V641 HydrophobicContact CB-CG1 4.35Å; L622-Y752 HydrophobicContact CD2-CD1 4.3Å; L622-Y752 HydrophobicContact CD2-CE1 3.78Å; L622-L755 HydrophobicContact CD1-CD1 3.88Å; L622-L755 HydrophobicContact CD2-CD1 3.65Å; L622-L755 HydrophobicContact CG-CD1 4.45Å
623K63.7Low56.6Low89 Ų8959 Ų5939%0.38733%0.33SS..Hα-helixtrans-77.7-39.4178.6-84.1-165.8166.6-167.10114.7L619 Y620 E639 T640 V641L619-K623 HydrophobicContact CD1-CD 4.01Å; L619-K623 HydrophobicContact CD1-CG 4.2Å; L619-K623 WeakPolarHBondContact O-CB 3.32Å; L619-K623 WeakPolarHBondContact O-CG 3.41Å; L619-K623 PolarHBondContact O-N 2.86Å; Y620-K623 PolarHBondContact O-N 3.49Å; K623-E639 WeakPolarHBondContact CD-OE2 3.45Å; K623-E639 VanDerWaalsContact CE-OE2 3.28Å; K623-E639 WeakPolarHBondContact CE-OE2 3.23Å; K623-E639 IonicContact NZ-OE2 2.64Å; K623-E639 PolarHBondContact NZ-OE2 3.21Å; K623-T640 VanDerWaalsContact CE-O 3.22Å; K623-T640 WeakPolarHBondContact CE-O 3.16Å; K623-T640 PolarHBondContact NZ-O 3.32Å; K623-V641 HydrophobicContact CD-CG2 4.3Å; K623-V641 HydrophobicContact CG-CB 4.46Å; K623-V641 HydrophobicContact CG-CG1 3.99Å; K623-V641 HydrophobicContact CG-CG2 3.78Å
624L50.5Low53.7Low107 Ų10764.2 Ų64.256%0.5636%0.356SS*.Hα-helixtrans-114.6-15.6-164.7-63.3175.9000114.1Y620 E626Y620-L624 HydrophobicContact CD1-CD1 3.99Å; Y620-L624 WeakPolarHBondContact O-CB 3.35Å; Y620-L624 PolarHBondContact O-N 3.08Å; L624-E626 PolarHBondContact O-N 3.35Å
625G46.9Very low51.4Low48 Ų4865.8 Ų65.850%0.49537%0.373SS..SBendtrans72.3-24-171.400000114.5K621K621-G625 PolarHBondContact O-N 3.24Å
626E29.3Very low49.1Very low155 Ų15569.2 Ų69.272%0.72439%0.388SS*.SBendtrans-108.6159.7179.1-64.2-171.2157.800112.9L624L624-E626 PolarHBondContact O-N 3.35Å
627I29.5Very low47.9Very low92 Ų9270.6 Ų70.647%0.47240%0.395SS..  trans-96.8120.4-170.5-46.9169.4000110.1K621 T746K621-I627 HydrophobicContact CD-CG1 4.19Å; I627-T746 WeakPolarHBondContact CD1-O 3.35Å; I627-T746 WeakPolarHBondContact CG1-O 3.49Å
628V28.3Very low46.2Very low83 Ų8372.7 Ų72.750%0.50341%0.407SS..  trans-107130.1163.7-177.20000108.7T630V628-T630 PolarHBondContact O-N 2.98Å
629T27.8Very low44.7Very low128 Ų12874.2 Ų74.279%0.78541%0.414SS*.  trans-69.9108.617841.70000110.5I631T629-I631 PolarHBondContact O-N 2.75Å
630T33.5Very low43.3Very low57 Ų5778.1 Ų78.135%0.3544%0.438SS..PPolyproline II helixtrans-77.9116.2-172.950.20000112.6T616 T617 Y620 V628T616-T630 HydrophobicContact CG2-CG2 4.16Å; T617-T630 PolarHBondContact OG1-OG1 3.37Å; Y620-T630 HydrophobicContact CD2-CG2 4.09Å; V628-T630 PolarHBondContact O-N 2.98Å
631I27Very low42.8Very low143 Ų14375 Ų7573%0.73343%0.427SS*.PPolyproline II helixtrans-83.1141.9169.2-62.1174.5000109.1T629 T633T629-I631 PolarHBondContact O-N 2.75Å; I631-T633 PolarHBondContact O-N 3.47Å; I631-T633 VanDerWaalsContact O-N 3.16Å
632P23.4Very low42Very low110 Ų11079.1 Ų79.171%0.71445%0.447SS*.PPolyproline II helixtrans-55.3117.1-177.4-28.736.1000114.8I634P632-I634 PolarHBondContact O-N 2.95Å
633T35.7Very low41.4Very low65 Ų6580 Ų8040%0.39945%0.448SS..  trans-80.5108.4-175.93.30000111.5I631 G635 D652I631-T633 PolarHBondContact O-N 3.47Å; I631-T633 VanDerWaalsContact O-N 3.16Å; T633-G635 PolarHBondContact O-N 2.62Å; T633-G635 VanDerWaalsContact O-N 3.15Å; T633-D652 PolarHBondContact OG1-OD2 2.78Å
634I27.6Very low41.4Very low109 Ų10980.9 Ų80.956%0.55945%0.452SS*.  trans-80.593.9172.1-58.1176.7000109R219 P632R219-I634 VanDerWaalsContact CZ-O 3.27Å; R219-I634 PolarHBondContact NH1-O 2.95Å; R219-I634 PolarHBondContact NH2-O 3.47Å; P632-I634 PolarHBondContact O-N 2.95Å
635G38.2Very low41.5Very low42 Ų4280.6 Ų80.643%0.43345%0.451SS..SBendtrans132.5166.8172.900000113.1T633 N637T633-G635 PolarHBondContact O-N 2.62Å; T633-G635 VanDerWaalsContact O-N 3.15Å; G635-N637 PolarHBondContact O-N 3.31Å
636F36Very low41.9Very low75 Ų7578.8 Ų78.833%0.32943%0.43SS..  trans-55.9124.1178.9-128.1-124.6000111.5V638 W651F636-V638 HydrophobicContact CD1-CG2 3.55Å; F636-V638 HydrophobicContact CE1-CG2 3.68Å; F636-V638 HydrophobicContact CG-CG2 4.46Å; F636-W651 HydrophobicContact CD1-CH2 4.35Å; F636-W651 AromaticContact CE1-CH2 3.3Å; F636-W651 HydrophobicContact CE1-CH2 3.3Å; F636-W651 HydrophobicContact CE1-CZ2 4.22Å; F636-W651 AromaticContact CE1-CZ3 3.72Å; F636-W651 HydrophobicContact CE1-CZ3 3.72Å; F636-W651 HydrophobicContact CE2-CH2 4.08Å; F636-W651 AromaticContact CE2-CZ3 3.63Å; F636-W651 HydrophobicContact CE2-CZ3 3.63Å; F636-W651 HydrophobicContact CZ-CE3 4.39Å; F636-W651 AromaticContact CZ-CH2 3.17Å; F636-W651 HydrophobicContact CZ-CH2 3.17Å; F636-W651 HydrophobicContact CZ-CZ2 4.41Å; F636-W651 AromaticContact CZ-CZ3 3.18Å; F636-W651 HydrophobicContact CZ-CZ3 3.18Å
637N47.7Very low43.2Very low41 Ų4172.7 Ų72.722%0.21941%0.405CS..EExtended strand (participates in β ladder)trans-122.5119.3156-160.522.5000109.3G635 E639 D652G635-N637 PolarHBondContact O-N 3.31Å; N637-E639 PolarHBondContact ND2-OE1 3.06Å; N637-E639 WeakPolarHBondContact OD1-CG 3.26Å; N637-E639 PolarHBondContact OD1-OE1 3.18Å; N637-D652 HydrophobicContact CB-CB 4.31Å; N637-D652 PolarHBondContact O-N 3.25Å; N637-D652 VanDerWaalsContact O-N 3.13Å
638V45.2Very low44.6Very low60 Ų6068.5 Ų68.536%0.36438%0.383SS..EExtended strand (participates in β ladder)trans-119.1106.2175.7178.20000106.3F636 T649 W651F636-V638 HydrophobicContact CD1-CG2 3.55Å; F636-V638 HydrophobicContact CE1-CG2 3.68Å; F636-V638 HydrophobicContact CG-CG2 4.46Å; V638-T649 HydrophobicContact CG1-CG2 3.69Å; V638-W651 HydrophobicContact CB-CZ2 4.43Å; V638-W651 HydrophobicContact CG1-CZ2 4.1Å; V638-W651 HydrophobicContact CG2-CD2 4.24Å; V638-W651 HydrophobicContact CG2-CH2 3.75Å; V638-W651 HydrophobicContact CG2-CZ2 3.4Å; V638-W651 HydrophobicContact CG2-CZ3 4.38Å
639E53.9Low45.9Very low32 Ų3265.4 Ų65.415%0.1536%0.364CS..EExtended strand (participates in β ladder)trans-123.6130.7-178.6-69.8-169.2-161.400110.2L619 K623 N637 V650L619-E639 HydrophobicContact CD1-CB 3.96Å; L619-E639 HydrophobicContact CD2-CB 3.98Å; L619-E639 HydrophobicContact CD2-CG 4.3Å; K623-E639 WeakPolarHBondContact CD-OE2 3.45Å; K623-E639 VanDerWaalsContact CE-OE2 3.28Å; K623-E639 WeakPolarHBondContact CE-OE2 3.23Å; K623-E639 IonicContact NZ-OE2 2.64Å; K623-E639 PolarHBondContact NZ-OE2 3.21Å; N637-E639 PolarHBondContact ND2-OE1 3.06Å; N637-E639 WeakPolarHBondContact OD1-CG 3.26Å; N637-E639 PolarHBondContact OD1-OE1 3.18Å; E639-V650 PolarHBondContact N-O 3.32Å; E639-V650 PolarHBondContact O-N 3.33Å
640T48.1Very low47Very low83 Ų8359.3 Ų59.351%0.50933%0.327SS..EExtended strand (participates in β ladder)trans-83.8137.1168.5-49.90000110K623 F648K623-T640 VanDerWaalsContact CE-O 3.22Å; K623-T640 WeakPolarHBondContact CE-O 3.16Å; K623-T640 PolarHBondContact NZ-O 3.32Å; T640-F648 CarbonylContact C-O 3.51Å; T640-F648 VanDerWaalsContact CA-O 3.23Å; T640-F648 WeakPolarHBondContact CA-O 3.49Å
641V57.3Low48.1Very low7 Ų756.8 Ų56.84%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-121138.5168.7-167.30000108.3L619 L622 K623 S647 F648 V650L619-V641 HydrophobicContact CD1-CG2 3.21Å; L622-V641 HydrophobicContact CB-CG1 4.35Å; K623-V641 HydrophobicContact CD-CG2 4.3Å; K623-V641 HydrophobicContact CG-CB 4.46Å; K623-V641 HydrophobicContact CG-CG1 3.99Å; K623-V641 HydrophobicContact CG-CG2 3.78Å; V641-S647 CarbonylContact O-C 3.57Å; V641-S647 WeakPolarHBondContact O-CA 3.27Å; V641-F648 HydrophobicContact CB-CB 4.3Å; V641-F648 PolarHBondContact N-O 2.97Å; V641-F648 PolarHBondContact O-N 3.44Å; V641-V650 HydrophobicContact CG2-CG2 4.48Å
642E58.6Low49.1Very low111 Ų11150.6 Ų50.652%0.51928%0.28SS..EExtended strand (participates in β ladder)trans-94.1126.6162.9-73.3-173.5-12800109.9K600 I646K600-E642 IonicContact NZ-OE2 3.7Å; K600-E642 PolarHBondContact NZ-OE2 3.49Å; E642-I646 WeakPolarHBondContact CA-O 3.47Å
643Y61.7Low50.2Low42 Ų4245.6 Ų45.617%0.16525%0.247CC..EExtended strand (participates in β ladder)trans-131.3122.3164173-90000109.1N645 I646 F648 Y752 L755Y643-N645 PolarHBondContact O-N 3.2Å; Y643-I646 PolarHBondContact N-O 3.45Å; Y643-I646 PolarHBondContact O-N 3.05Å; Y643-I646 VanDerWaalsContact O-N 3.11Å; Y643-F648 HydrophobicContact CD1-CE2 4.42Å; Y643-F648 HydrophobicContact CG-CE2 4.5Å; Y643-Y752 HydrophobicContact CD2-CD1 4.43Å; Y643-Y752 HydrophobicContact CD2-CE1 4.35Å; Y643-Y752 AromaticContact CE2-CD1 3.48Å; Y643-Y752 HydrophobicContact CE2-CD1 3.48Å; Y643-Y752 VanDerWaalsContact CE2-CD1 3.48Å; Y643-Y752 AromaticContact CE2-CE1 3.67Å; Y643-Y752 HydrophobicContact CE2-CE1 3.67Å; Y643-Y752 AromaticContact CZ-CD1 3.71Å; Y643-Y752 WeakPolarHBondContact OH-CD1 3.42Å; Y643-L755 HydrophobicContact CD1-CB 4.23Å; Y643-L755 HydrophobicContact CD1-CD1 3.96Å; Y643-L755 HydrophobicContact CE1-CB 3.92Å; Y643-L755 HydrophobicContact CE1-CD1 4.16Å; Y643-L755 HydrophobicContact CG-CD1 4.19Å
644K62.6Low50.6Low109 Ų10943.7 Ų43.747%0.47424%0.24SC..THydrogen-bonded Turntrans54.2-116.9-168.7-61.1179178174.60111.2D756K644-D756 IonicContact NZ-OD1 2.66Å; K644-D756 PolarHBondContact NZ-OD1 2.83Å; K644-D756 IonicContact NZ-OD2 2.74Å; K644-D756 PolarHBondContact NZ-OD2 3.35Å
645N54.2Low51.3Low100 Ų10039.1 Ų39.154%0.53522%0.22SC..THydrogen-bonded Turntrans-104.424.1179.5-69.2-3.5000112.4Y643Y643-N645 PolarHBondContact O-N 3.2Å
646I55.4Low51.8Low10 Ų1043.3 Ų43.35%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-129.4134.9-167.3-59.8176.5000110.5V603 I605 E642 Y643 F648V603-I646 HydrophobicContact CB-CG2 4.49Å; I605-I646 HydrophobicContact CD1-CG2 3.34Å; I605-I646 HydrophobicContact CG1-CG2 3.85Å; E642-I646 WeakPolarHBondContact CA-O 3.47Å; Y643-I646 PolarHBondContact N-O 3.45Å; Y643-I646 PolarHBondContact O-N 3.05Å; Y643-I646 VanDerWaalsContact O-N 3.11Å; I646-F648 HydrophobicContact CB-CE2 3.66Å; I646-F648 HydrophobicContact CB-CZ 3.9Å; I646-F648 HydrophobicContact CG2-CD2 4.09Å; I646-F648 HydrophobicContact CG2-CE1 4.01Å; I646-F648 HydrophobicContact CG2-CE2 3.43Å; I646-F648 VanDerWaalsContact CG2-CE2 3.43Å; I646-F648 HydrophobicContact CG2-CZ 3.41Å; I646-F648 VanDerWaalsContact CG2-CZ 3.41Å; I646-F648 WeakPolarHBondContact O-CE2 3.44Å
647S55.9Low52.5Low28 Ų2845 Ų4520%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-102.5107.6177.247.90000111.2V603 I605 V641V603-S647 PolarHBondContact O-N 3.46Å; V603-S647 VanDerWaalsContact O-O 3.1Å; V603-S647 PolarHBondContact O-OG 3.43Å; I605-S647 PolarHBondContact N-O 3.4Å; V641-S647 CarbonylContact O-C 3.57Å; V641-S647 WeakPolarHBondContact O-CA 3.27Å
648F59.1Low52.6Low3 Ų352 Ų521%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-88.8116.3178.1-59.1-93.8000109I605 T640 V641 Y643 I646 I674 L755I605-F648 HydrophobicContact CB-CD1 3.99Å; I605-F648 HydrophobicContact CB-CE1 4.33Å; I605-F648 HydrophobicContact CD1-CD1 4.26Å; I605-F648 HydrophobicContact CD1-CE1 3.73Å; I605-F648 HydrophobicContact CD1-CZ 4.21Å; I605-F648 HydrophobicContact CG2-CD1 3.89Å; I605-F648 HydrophobicContact CG2-CE1 4.17Å; T640-F648 CarbonylContact C-O 3.51Å; T640-F648 VanDerWaalsContact CA-O 3.23Å; T640-F648 WeakPolarHBondContact CA-O 3.49Å; V641-F648 HydrophobicContact CB-CB 4.3Å; V641-F648 PolarHBondContact N-O 2.97Å; V641-F648 PolarHBondContact O-N 3.44Å; Y643-F648 HydrophobicContact CD1-CE2 4.42Å; Y643-F648 HydrophobicContact CG-CE2 4.5Å; I646-F648 HydrophobicContact CB-CE2 3.66Å; I646-F648 HydrophobicContact CB-CZ 3.9Å; I646-F648 HydrophobicContact CG2-CD2 4.09Å; I646-F648 HydrophobicContact CG2-CE1 4.01Å; I646-F648 HydrophobicContact CG2-CE2 3.43Å; I646-F648 VanDerWaalsContact CG2-CE2 3.43Å; I646-F648 HydrophobicContact CG2-CZ 3.41Å; I646-F648 VanDerWaalsContact CG2-CZ 3.41Å; I646-F648 WeakPolarHBondContact O-CE2 3.44Å; F648-I674 HydrophobicContact CD1-CD1 3.81Å; F648-I674 HydrophobicContact CE1-CD1 3.87Å; F648-L755 HydrophobicContact CD1-CD2 4.21Å; F648-L755 HydrophobicContact CE1-CD2 3.37Å; F648-L755 HydrophobicContact CZ-CD2 3.72Å
649T54.5Low53Low18 Ų1852 Ų5211%0.1127%0.266CS..EExtended strand (participates in β ladder)trans-89.3104165.9-49.50000108I605 M607 V638I605-T649 PolarHBondContact O-N 2.96Å; M607-T649 PolarHBondContact N-O 3.38Å; V638-T649 HydrophobicContact CG1-CG2 3.69Å
650V52.4Low53.3Low1 Ų150.9 Ų50.91%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-86.2134.6177.3-177.20000110.5M607 L619 E639 V641M607-V650 HydrophobicContact CB-CB 4.37Å; M607-V650 HydrophobicContact CB-CG1 4.17Å; M607-V650 HydrophobicContact CB-CG2 4.07Å; M607-V650 HydrophobicContact CE-CG2 4Å; M607-V650 HydrophobicContact CG-CG1 4.32Å; M607-V650 HydrophobicContact SD-CG1 3.85Å; M607-V650 HydrophobicContact SD-CG2 3.97Å; L619-V650 HydrophobicContact CB-CB 4.3Å; L619-V650 HydrophobicContact CB-CG1 4.04Å; L619-V650 HydrophobicContact CB-CG2 4.17Å; L619-V650 HydrophobicContact CD1-CB 4.06Å; L619-V650 HydrophobicContact CD1-CG2 3.88Å; L619-V650 HydrophobicContact CD2-CB 4.13Å; L619-V650 HydrophobicContact CD2-CG1 4.1Å; L619-V650 HydrophobicContact CG-CB 4.39Å; L619-V650 HydrophobicContact CG-CG1 4.5Å; L619-V650 HydrophobicContact CG-CG2 4.47Å; E639-V650 PolarHBondContact N-O 3.32Å; E639-V650 PolarHBondContact O-N 3.33Å; V641-V650 HydrophobicContact CG2-CG2 4.48Å
651W55Low54Low4 Ų451 Ų512%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-112.894.5-179.4-83.362.7000110L606 M607 V608 K615 F636 V638 V653 Y666L606-W651 HydrophobicContact CD1-CB 4.19Å; L606-W651 HydrophobicContact CD1-CD2 4.26Å; L606-W651 HydrophobicContact CD1-CG 3.57Å; M607-W651 WeakPolarHBondContact O-CB 3.37Å; M607-W651 PolarHBondContact O-N 3.43Å; V608-W651 HydrophobicContact CG1-CB 4.15Å; K615-W651 WeakPolarHBondContact CD-O 3.47Å; K615-W651 WeakPolarHBondContact CE-O 3.18Å; F636-W651 HydrophobicContact CD1-CH2 4.35Å; F636-W651 AromaticContact CE1-CH2 3.3Å; F636-W651 HydrophobicContact CE1-CH2 3.3Å; F636-W651 HydrophobicContact CE1-CZ2 4.22Å; F636-W651 AromaticContact CE1-CZ3 3.72Å; F636-W651 HydrophobicContact CE1-CZ3 3.72Å; F636-W651 HydrophobicContact CE2-CH2 4.08Å; F636-W651 AromaticContact CE2-CZ3 3.63Å; F636-W651 HydrophobicContact CE2-CZ3 3.63Å; F636-W651 HydrophobicContact CZ-CE3 4.39Å; F636-W651 AromaticContact CZ-CH2 3.17Å; F636-W651 HydrophobicContact CZ-CH2 3.17Å; F636-W651 HydrophobicContact CZ-CZ2 4.41Å; F636-W651 AromaticContact CZ-CZ3 3.18Å; F636-W651 HydrophobicContact CZ-CZ3 3.18Å; V638-W651 HydrophobicContact CB-CZ2 4.43Å; V638-W651 HydrophobicContact CG1-CZ2 4.1Å; V638-W651 HydrophobicContact CG2-CD2 4.24Å; V638-W651 HydrophobicContact CG2-CH2 3.75Å; V638-W651 HydrophobicContact CG2-CZ2 3.4Å; V638-W651 HydrophobicContact CG2-CZ3 4.38Å; W651-V653 VanDerWaalsContact C-N 3.27Å; W651-V653 HydrophobicContact CB-CG2 4.3Å; W651-V653 HydrophobicContact CE3-CG2 3.58Å; W651-V653 HydrophobicContact CZ3-CG2 4.25Å; W651-V653 PolarHBondContact O-N 3.07Å; W651-Y666 AromaticContact CE2-CG 3.89Å; W651-Y666 HydrophobicContact CH2-CD1 4.01Å; W651-Y666 AromaticContact CH2-CD2 3.24Å; W651-Y666 HydrophobicContact CH2-CD2 3.24Å; W651-Y666 AromaticContact CH2-CE1 3.82Å; W651-Y666 HydrophobicContact CH2-CE1 3.82Å; W651-Y666 AromaticContact CH2-CE2 3.04Å; W651-Y666 HydrophobicContact CH2-CE2 3.04Å; W651-Y666 AromaticContact CH2-CG 3.73Å; W651-Y666 HydrophobicContact CH2-CG 3.73Å; W651-Y666 AromaticContact CH2-CZ 3.32Å; W651-Y666 AromaticContact CZ2-CD1 3.33Å; W651-Y666 HydrophobicContact CZ2-CD1 3.33Å; W651-Y666 AromaticContact CZ2-CD2 3.4Å; W651-Y666 HydrophobicContact CZ2-CD2 3.4Å; W651-Y666 VanDerWaalsContact CZ2-CD2 3.4Å; W651-Y666 AromaticContact CZ2-CE1 3.38Å; W651-Y666 HydrophobicContact CZ2-CE1 3.38Å; W651-Y666 AromaticContact CZ2-CE2 3.48Å; W651-Y666 HydrophobicContact CZ2-CE2 3.48Å; W651-Y666 VanDerWaalsContact CZ2-CE2 3.48Å; W651-Y666 AromaticContact CZ2-CG 3.32Å; W651-Y666 HydrophobicContact CZ2-CG 3.32Å; W651-Y666 AromaticContact CZ2-CZ 3.43Å; W651-Y666 VanDerWaalsContact CZ2-CZ 3.43Å; W651-Y666 AromaticContact CZ3-CD2 3.91Å; W651-Y666 HydrophobicContact CZ3-CD2 3.91Å; W651-Y666 AromaticContact CZ3-CE2 3.93Å; W651-Y666 HydrophobicContact CZ3-CE2 3.93Å
652D49.8Very low54.1Low13 Ų1354.2 Ų54.27%0.0728%0.28CS..EExtended strand (participates in β ladder)trans-81.683.1164.9-167.524.5000110.6K615 T616 T633 N637K615-D652 WeakPolarHBondContact CE-OD1 3.32Å; K615-D652 IonicContact NZ-OD1 3.02Å; T616-D652 VanDerWaalsContact OG1-CB 3.27Å; T616-D652 WeakPolarHBondContact OG1-CB 3.44Å; T616-D652 PolarHBondContact OG1-OD1 2.94Å; T616-D652 PolarHBondContact OG1-OD2 3.21Å; T633-D652 PolarHBondContact OG1-OD2 2.78Å; N637-D652 HydrophobicContact CB-CB 4.31Å; N637-D652 PolarHBondContact O-N 3.25Å; N637-D652 VanDerWaalsContact O-N 3.13Å
653V45.3Very low54.4Low5 Ų549.4 Ų49.43%0.0326%0.257CS..  trans-92.7112.6166.4-169.70000107.4K615 W651 G655 I659 W663K615-V653 PolarHBondContact NZ-O 3.3Å; W651-V653 VanDerWaalsContact C-N 3.27Å; W651-V653 HydrophobicContact CB-CG2 4.3Å; W651-V653 HydrophobicContact CE3-CG2 3.58Å; W651-V653 HydrophobicContact CZ3-CG2 4.25Å; W651-V653 PolarHBondContact O-N 3.07Å; V653-G655 PolarHBondContact O-N 2.73Å; V653-I659 HydrophobicContact CG1-CD1 3.52Å; V653-I659 HydrophobicContact CG1-CG1 3.77Å; V653-W663 HydrophobicContact CB-CZ2 4.45Å
654G45.3Very low54.7Low25 Ų2553.9 Ų53.926%0.25827%0.273SS..  trans-61.7124.8162.200000108.6Q656G654-Q656 PolarHBondContact O-N 2.99Å
655G41.2Very low54.7Low13 Ų1355 Ų5513%0.13428%0.28CS..  trans-69.340-165.600000116.5D611 V653 D657 R660D611-G655 VanDerWaalsContact OD1-CA 3.3Å; D611-G655 WeakPolarHBondContact OD1-CA 3.15Å; D611-G655 PolarHBondContact OD1-N 3.09Å; V653-G655 PolarHBondContact O-N 2.73Å; G655-D657 PolarHBondContact O-N 3.19Å; G655-R660 PolarHBondContact O-NH2 2.95Å
656Q49.3Very low55.2Low130 Ų13053.7 Ų53.761%0.60727%0.268SS*.  trans-68124.6163.4-62.5-172.512.500109.5G654 K658 I659G654-Q656 PolarHBondContact O-N 2.99Å; Q656-K658 PolarHBondContact O-N 2.99Å; Q656-I659 WeakPolarHBondContact O-CG1 3.41Å; Q656-I659 PolarHBondContact O-N 3.4Å
657D50.4Low56.2Low110 Ų11053.4 Ų53.459%0.58827%0.267SS*.G310 helixtrans-50.3-35.2-179-55.5-53.4000113.3G655 I659 R660G655-D657 PolarHBondContact O-N 3.19Å; D657-I659 PolarHBondContact O-N 2.99Å; D657-I659 VanDerWaalsContact O-N 3.08Å; D657-R660 PolarHBondContact O-N 3.43Å; D657-R660 IonicContact OD1-CZ 3.6Å; D657-R660 IonicContact OD1-NE 2.8Å; D657-R660 IonicContact OD1-NH1 3.79Å; D657-R660 PolarHBondContact OD1-NH1 3.33Å; D657-R660 IonicContact OD1-NH2 3.21Å; D657-R660 PolarHBondContact OD1-NH2 3.05Å
658K50.3Low57Low188 Ų18858 Ų5882%0.81729%0.285SS*.G310 helixtrans-60.2-20.5-174-64.3-175.6178.9179.50115Q656Q656-K658 PolarHBondContact O-N 2.99Å
659I52.8Low57.6Low59 Ų5964.4 Ų64.430%0.30332%0.319SS..G310 helixtrans-113.1-8.1-176.862.6174.8000114.4V653 Q656 D657 P661 L662V653-I659 HydrophobicContact CG1-CD1 3.52Å; V653-I659 HydrophobicContact CG1-CG1 3.77Å; Q656-I659 WeakPolarHBondContact O-CG1 3.41Å; Q656-I659 PolarHBondContact O-N 3.4Å; D657-I659 PolarHBondContact O-N 2.99Å; D657-I659 VanDerWaalsContact O-N 3.08Å; I659-P661 VanDerWaalsContact C-N 3.32Å; I659-L662 HydrophobicContact CB-CD1 4.44Å; I659-L662 WeakPolarHBondContact O-CB 3.46Å; I659-L662 PolarHBondContact O-N 2.81Å; I659-L662 VanDerWaalsContact O-N 3.13Å
660R59.7Low58.9Low10 Ų1063.9 Ų63.94%0.03832%0.316CS..G310 helixtrans-58-31.4177.4-51-174-172.1175.40.5114.3G655 D657 L662 W663 E687 E691G655-R660 PolarHBondContact O-NH2 2.95Å; D657-R660 PolarHBondContact O-N 3.43Å; D657-R660 IonicContact OD1-CZ 3.6Å; D657-R660 IonicContact OD1-NE 2.8Å; D657-R660 IonicContact OD1-NH1 3.79Å; D657-R660 PolarHBondContact OD1-NH1 3.33Å; D657-R660 IonicContact OD1-NH2 3.21Å; D657-R660 PolarHBondContact OD1-NH2 3.05Å; R660-L662 PolarHBondContact O-N 3.33Å; R660-L662 VanDerWaalsContact O-N 3.13Å; R660-W663 HydrophobicContact CB-CZ2 4.41Å; R660-W663 HydrophobicContact CG-CH2 4.46Å; R660-W663 HydrophobicContact CG-CZ2 4.2Å; R660-W663 WeakPolarHBondContact O-CB 3.31Å; R660-W663 VanDerWaalsContact O-CG 3.26Å; R660-W663 PolarHBondContact O-N 2.94Å; R660-E687 IonicContact CZ-OE1 2.74Å; R660-E687 VanDerWaalsContact CZ-OE1 3.27Å; R660-E687 IonicContact NH1-OE1 2.7Å; R660-E687 PolarHBondContact NH1-OE1 3.03Å; R660-E687 IonicContact NH2-OE1 2.74Å; R660-E687 PolarHBondContact NH2-OE1 3.22Å; R660-E691 VanDerWaalsContact CD-CD 3.45Å; R660-E691 WeakPolarHBondContact CD-OE1 3.35Å; R660-E691 WeakPolarHBondContact CD-OE2 3.35Å; R660-E691 IonicContact CZ-OE1 2.64Å; R660-E691 IonicContact NE-OE1 2.92Å; R660-E691 IonicContact NH1-OE1 3.98Å; R660-E691 PolarHBondContact NH1-OE1 3.3Å
661P63.2Low60.5Low86 Ų8667.4 Ų67.456%0.55833%0.332SS*.G310 helixtrans-58.7-23.2174.4-28.237000115.2I659 W663I659-P661 VanDerWaalsContact C-N 3.32Å; P661-W663 PolarHBondContact O-N 2.85Å
662L59.4Low62.1Low74 Ų7467.2 Ų67.239%0.38733%0.332SS..G310 helixtrans-71.5-15.1-179.6-62.9174.9000113.4I659 R660 R664 H665I659-L662 HydrophobicContact CB-CD1 4.44Å; I659-L662 WeakPolarHBondContact O-CB 3.46Å; I659-L662 PolarHBondContact O-N 2.81Å; I659-L662 VanDerWaalsContact O-N 3.13Å; R660-L662 PolarHBondContact O-N 3.33Å; R660-L662 VanDerWaalsContact O-N 3.13Å; L662-R664 PolarHBondContact O-N 3.47Å; L662-H665 PolarHBondContact O-CD2 2.9Å; L662-H665 PolarHBondContact O-N 2.8Å
663W64.9Low64.1Low10 Ų1066.6 Ų66.64%0.03833%0.328CS..G310 helixtrans-59-31179.6-62.8-7.7000112.5V653 R660 P661 H665 Y666 F667 E691 M695V653-W663 HydrophobicContact CB-CZ2 4.45Å; R660-W663 HydrophobicContact CB-CZ2 4.41Å; R660-W663 HydrophobicContact CG-CH2 4.46Å; R660-W663 HydrophobicContact CG-CZ2 4.2Å; R660-W663 WeakPolarHBondContact O-CB 3.31Å; R660-W663 VanDerWaalsContact O-CG 3.26Å; R660-W663 PolarHBondContact O-N 2.94Å; P661-W663 PolarHBondContact O-N 2.85Å; W663-H665 VanDerWaalsContact C-N 3.25Å; W663-H665 PolarHBondContact O-N 2.82Å; W663-Y666 PolarHBondContact O-N 2.83Å; W663-F667 HydrophobicContact CB-CE1 3.75Å; W663-F667 HydrophobicContact CB-CE2 4.45Å; W663-F667 HydrophobicContact CB-CZ 3.52Å; W663-F667 WeakPolarHBondContact O-CD1 3.44Å; W663-F667 WeakPolarHBondContact O-CE1 3.44Å; W663-E691 WeakPolarHBondContact CH2-OE2 3.44Å; W663-E691 WeakPolarHBondContact CZ3-OE2 3.42Å; W663-M695 HydrophobicContact CD2-SD 4.45Å; W663-M695 HydrophobicContact CE3-CE 4.49Å; W663-M695 HydrophobicContact CE3-CG 3.76Å; W663-M695 HydrophobicContact CE3-SD 3.39Å; W663-M695 HydrophobicContact CZ3-CE 3.95Å; W663-M695 HydrophobicContact CZ3-CG 3.91Å; W663-M695 HydrophobicContact CZ3-SD 3.43Å; W663-M695 WeakPolarHBondContact CZ3-SD 3.44Å
664R67.2Low66.3Low136 Ų13666.3 Ų66.351%0.51333%0.327SS..G310 helixtrans-53-37.7178.3-77-179.6169.1149.20.4114.1L662 Y666 F667 E698L662-R664 PolarHBondContact O-N 3.47Å; R664-Y666 PolarHBondContact O-N 3.45Å; R664-F667 HydrophobicContact CB-CD2 4.36Å; R664-F667 HydrophobicContact CB-CE2 4.33Å; R664-F667 HydrophobicContact CG-CD2 4.11Å; R664-F667 HydrophobicContact CG-CE2 3.79Å; R664-F667 PolarHBondContact O-N 2.86Å; R664-E698 IonicContact CZ-OE1 3.71Å; R664-E698 VanDerWaalsContact CZ-OE1 3.32Å; R664-E698 IonicContact CZ-OE2 3.76Å; R664-E698 VanDerWaalsContact NE-CD 3.31Å; R664-E698 IonicContact NE-OE1 3.55Å; R664-E698 PolarHBondContact NE-OE1 3.31Å; R664-E698 VanDerWaalsContact NE-OE1 3.16Å; R664-E698 IonicContact NE-OE2 3.26Å; R664-E698 PolarHBondContact NE-OE2 3.05Å; R664-E698 IonicContact NH2-OE1 3.39Å; R664-E698 PolarHBondContact NH2-OE1 2.79Å; R664-E698 IonicContact NH2-OE2 2.68Å; R664-E698 PolarHBondContact NH2-OE2 3.43Å
665H63.9Low68.6Low132 Ų13265.2 Ų65.261%0.61132%0.315SS*.G310 helixtrans-62.7-10.3177.8-60.8-60.3000113.8L662 W663L662-H665 PolarHBondContact O-CD2 2.9Å; L662-H665 PolarHBondContact O-N 2.8Å; W663-H665 VanDerWaalsContact C-N 3.25Å; W663-H665 PolarHBondContact O-N 2.82Å
666Y64.7Low71.1Confident73 Ų7364.6 Ų64.629%0.28631%0.309SS..G310 helixtrans-121.711.3-176.3-56.2-86000113.2R604 W651 W663 R664 T670R604-Y666 PolarHBondContact NH1-O 2.81Å; W651-Y666 AromaticContact CE2-CG 3.89Å; W651-Y666 HydrophobicContact CH2-CD1 4.01Å; W651-Y666 AromaticContact CH2-CD2 3.24Å; W651-Y666 HydrophobicContact CH2-CD2 3.24Å; W651-Y666 AromaticContact CH2-CE1 3.82Å; W651-Y666 HydrophobicContact CH2-CE1 3.82Å; W651-Y666 AromaticContact CH2-CE2 3.04Å; W651-Y666 HydrophobicContact CH2-CE2 3.04Å; W651-Y666 AromaticContact CH2-CG 3.73Å; W651-Y666 HydrophobicContact CH2-CG 3.73Å; W651-Y666 AromaticContact CH2-CZ 3.32Å; W651-Y666 AromaticContact CZ2-CD1 3.33Å; W651-Y666 HydrophobicContact CZ2-CD1 3.33Å; W651-Y666 AromaticContact CZ2-CD2 3.4Å; W651-Y666 HydrophobicContact CZ2-CD2 3.4Å; W651-Y666 VanDerWaalsContact CZ2-CD2 3.4Å; W651-Y666 AromaticContact CZ2-CE1 3.38Å; W651-Y666 HydrophobicContact CZ2-CE1 3.38Å; W651-Y666 AromaticContact CZ2-CE2 3.48Å; W651-Y666 HydrophobicContact CZ2-CE2 3.48Å; W651-Y666 VanDerWaalsContact CZ2-CE2 3.48Å; W651-Y666 AromaticContact CZ2-CG 3.32Å; W651-Y666 HydrophobicContact CZ2-CG 3.32Å; W651-Y666 AromaticContact CZ2-CZ 3.43Å; W651-Y666 VanDerWaalsContact CZ2-CZ 3.43Å; W651-Y666 AromaticContact CZ3-CD2 3.91Å; W651-Y666 HydrophobicContact CZ3-CD2 3.91Å; W651-Y666 AromaticContact CZ3-CE2 3.93Å; W651-Y666 HydrophobicContact CZ3-CE2 3.93Å; W663-Y666 PolarHBondContact O-N 2.83Å; R664-Y666 PolarHBondContact O-N 3.45Å; Y666-T670 PolarHBondContact O-OG1 3.32Å
667F75.8Confident73.3Confident4 Ų458.7 Ų58.72%0.01828%0.281CS..THydrogen-bonded Turntrans-84.6-25.6172.6-59.8-22.3000112.9L606 W663 R664 N669 T670 M695 E698 E700 L701L606-F667 HydrophobicContact CD2-CD1 3.73Å; L606-F667 HydrophobicContact CD2-CE1 3.76Å; W663-F667 HydrophobicContact CB-CE1 3.75Å; W663-F667 HydrophobicContact CB-CE2 4.45Å; W663-F667 HydrophobicContact CB-CZ 3.52Å; W663-F667 WeakPolarHBondContact O-CD1 3.44Å; W663-F667 WeakPolarHBondContact O-CE1 3.44Å; R664-F667 HydrophobicContact CB-CD2 4.36Å; R664-F667 HydrophobicContact CB-CE2 4.33Å; R664-F667 HydrophobicContact CG-CD2 4.11Å; R664-F667 HydrophobicContact CG-CE2 3.79Å; R664-F667 PolarHBondContact O-N 2.86Å; F667-N669 PolarHBondContact O-N 2.88Å; F667-T670 VanDerWaalsContact O-CB 3.27Å; F667-T670 WeakPolarHBondContact O-CB 3.3Å; F667-T670 PolarHBondContact O-N 3.18Å; F667-T670 PolarHBondContact O-OG1 2.82Å; F667-M695 HydrophobicContact CZ-CG 4.1Å; F667-E698 HydrophobicContact CD2-CB 3.94Å; F667-E698 HydrophobicContact CD2-CG 4.05Å; F667-E698 HydrophobicContact CE2-CB 4.12Å; F667-E698 HydrophobicContact CE2-CG 3.7Å; F667-E700 HydrophobicContact CB-CB 3.67Å; F667-E700 HydrophobicContact CB-CG 4.47Å; F667-L701 HydrophobicContact CB-CD2 3.99Å; F667-L701 HydrophobicContact CB-CG 3.86Å; F667-L701 HydrophobicContact CD1-CD1 3.58Å; F667-L701 HydrophobicContact CD1-CD2 4.03Å; F667-L701 HydrophobicContact CD1-CG 3.86Å; F667-L701 HydrophobicContact CD2-CD1 4.21Å; F667-L701 HydrophobicContact CD2-CG 4.24Å; F667-L701 HydrophobicContact CE1-CD1 3.72Å; F667-L701 HydrophobicContact CE1-CG 4.48Å; F667-L701 HydrophobicContact CE2-CD1 4.37Å; F667-L701 HydrophobicContact CG-CD1 3.86Å; F667-L701 HydrophobicContact CG-CD2 4.15Å; F667-L701 HydrophobicContact CG-CG 3.73Å; F667-L701 HydrophobicContact CZ-CD1 4.12Å
668Q72.2Confident75.4Confident125 Ų12554.3 Ų54.358%0.58426%0.258SS*.THydrogen-bonded Turntrans-53.1129177.9-66.5-174.4-14.400112.3R604 T670R604-Q668 PolarHBondContact NH1-O 3.31Å; Q668-T670 PolarHBondContact O-N 3.32Å; Q668-T670 VanDerWaalsContact O-N 3.09Å
669N72.5Confident77.6Confident137 Ų13745.4 Ų45.473%0.73322%0.219SC*.THydrogen-bonded Turntrans59.212.8-179.2-50.8-35.1000115.4F667 Q671F667-N669 PolarHBondContact O-N 2.88Å; N669-Q671 PolarHBondContact O-N 3Å
670T82.6Confident79.5Confident7 Ų745.3 Ų45.34%0.04322%0.219CC..  trans-75.1112.6177-67.20000110.2R604 L606 Y666 F667 Q668 G672 L701R604-T670 PolarHBondContact NH1-OG1 3.02Å; L606-T670 HydrophobicContact CB-CG2 3.7Å; Y666-T670 PolarHBondContact O-OG1 3.32Å; F667-T670 VanDerWaalsContact O-CB 3.27Å; F667-T670 WeakPolarHBondContact O-CB 3.3Å; F667-T670 PolarHBondContact O-N 3.18Å; F667-T670 PolarHBondContact O-OG1 2.82Å; Q668-T670 PolarHBondContact O-N 3.32Å; Q668-T670 VanDerWaalsContact O-N 3.09Å; T670-G672 WeakPolarHBondContact CG2-O 3.41Å; T670-L701 HydrophobicContact CG2-CD2 3.71Å
671Q84.7Confident81.1Confident74 Ų7446.3 Ų46.335%0.34623%0.225SC..  trans-92.9-21.7-176.6-64.5137.2-46.300112.6V603 R604 N669 A704 V705 L762V603-Q671 VanDerWaalsContact CA-OE1 3.31Å; V603-Q671 HydrophobicContact CG1-CB 3.93Å; R604-Q671 PolarHBondContact O-N 2.83Å; N669-Q671 PolarHBondContact O-N 3Å; Q671-A704 WeakPolarHBondContact O-CA 3.43Å; Q671-V705 PolarHBondContact O-N 2.64Å; Q671-L762 HydrophobicContact CB-CD2 3.97Å; Q671-L762 WeakPolarHBondContact O-CD2 3.43Å
672G89.3Confident82.5Confident0 Ų047.1 Ų47.10%022%0.217CC..EExtended strand (participates in β ladder)trans-135.7144.9176.700000112.5R604 I605 L606 T670 V705R604-G672 PolarHBondContact O-N 2.94Å; I605-G672 VanDerWaalsContact CA-O 3.31Å; I605-G672 WeakPolarHBondContact CA-O 3.43Å; L606-G672 PolarHBondContact N-O 3.48Å; T670-G672 WeakPolarHBondContact CG2-O 3.41Å; G672-V705 CarbonylContact C-O 3.58Å; G672-V705 WeakPolarHBondContact CA-O 3.28Å
673L90.8Very high84Confident0 Ų052.4 Ų52.40%024%0.24CC..EExtended strand (participates in β ladder)trans-123.5123.2177-170.369.3000108.9L606 V608 L696 L701 V705 L706 L707L606-L673 HydrophobicContact CB-CD1 3.97Å; L606-L673 HydrophobicContact CD2-CD1 3.86Å; L606-L673 HydrophobicContact CG-CD1 3.92Å; L606-L673 CarbonylContact O-C 3.58Å; L606-L673 WeakPolarHBondContact O-CA 3.35Å; V608-L673 HydrophobicContact CG2-CD1 3.56Å; V608-L673 HydrophobicContact CG2-CG 4.19Å; L673-L696 HydrophobicContact CD2-CD2 3.77Å; L673-L701 HydrophobicContact CD1-CD1 4.4Å; L673-L701 HydrophobicContact CD2-CD1 4.34Å; L673-V705 PolarHBondContact N-O 2.88Å; L673-L706 HydrophobicContact CB-CD1 4.42Å; L673-L706 HydrophobicContact CD2-CD1 4.19Å; L673-L706 HydrophobicContact CG-CD1 4.4Å; L673-L706 WeakPolarHBondContact O-CA 3.48Å; L673-L707 PolarHBondContact O-N 3.29Å
674I92.5Very high85.2Confident0 Ų055.3 Ų55.30%025%0.251CS..EExtended strand (participates in β ladder)trans-104.2116.4170.5-56.6178.1000107.7I605 L606 M607 V608 F648 V676 L707 F709 L755 L758I605-I674 HydrophobicContact CG2-CD1 3.87Å; I605-I674 HydrophobicContact CG2-CG1 3.76Å; L606-I674 PolarHBondContact O-N 2.94Å; M607-I674 CarbonylContact C-O 3.53Å; M607-I674 WeakPolarHBondContact CA-O 3.49Å; M607-I674 HydrophobicContact CB-CB 4.09Å; M607-I674 HydrophobicContact CE-CD1 3.94Å; M607-I674 HydrophobicContact CE-CG2 4.32Å; M607-I674 HydrophobicContact CG-CB 4.01Å; M607-I674 HydrophobicContact CG-CG2 3.97Å; V608-I674 PolarHBondContact N-O 2.89Å; F648-I674 HydrophobicContact CD1-CD1 3.81Å; F648-I674 HydrophobicContact CE1-CD1 3.87Å; I674-V676 HydrophobicContact CG2-CG2 4.28Å; I674-L707 CarbonylContact C-O 3.6Å; I674-L707 VanDerWaalsContact CA-O 3.3Å; I674-L707 WeakPolarHBondContact CA-O 3.3Å; I674-L707 HydrophobicContact CD1-CD2 4.32Å; I674-L707 HydrophobicContact CG1-CB 4.3Å; I674-L707 HydrophobicContact CG1-CD2 4.15Å; I674-L707 HydrophobicContact CG2-CD2 4.37Å; I674-F709 HydrophobicContact CG2-CD2 3.46Å; I674-F709 VanDerWaalsContact CG2-CD2 3.46Å; I674-F709 HydrophobicContact CG2-CE2 3.7Å; I674-F709 HydrophobicContact CG2-CG 4.32Å; I674-L755 HydrophobicContact CD1-CD2 3.8Å; I674-L758 HydrophobicContact CD1-CD2 3.83Å; I674-L758 HydrophobicContact CG1-CD2 3.62Å
675F93.7Very high86.5Confident1 Ų149.3 Ų49.30%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-105.1115.7176.1-165.8-106.1000110.3V608 V677 A688 L692 M695 L706 L707 V708 F709 L728V608-F675 HydrophobicContact CG2-CD2 4.12Å; V608-F675 WeakPolarHBondContact O-CA 3.38Å; F675-V677 HydrophobicContact CD1-CG2 3.57Å; F675-V677 HydrophobicContact CE1-CG2 3.5Å; F675-V677 VanDerWaalsContact CE1-CG2 3.5Å; F675-A688 HydrophobicContact CE1-CB 4.1Å; F675-A688 HydrophobicContact CZ-CB 4.14Å; F675-A688 WeakPolarHBondContact CZ-O 3.42Å; F675-L692 HydrophobicContact CB-CD1 4.09Å; F675-L692 HydrophobicContact CD1-CB 4.31Å; F675-L692 HydrophobicContact CD1-CD1 4.19Å; F675-L692 HydrophobicContact CD1-CD2 4.08Å; F675-L692 HydrophobicContact CD1-CG 4.43Å; F675-L692 HydrophobicContact CD2-CB 4.45Å; F675-L692 HydrophobicContact CD2-CD1 3.96Å; F675-L692 HydrophobicContact CE1-CB 3.97Å; F675-L692 HydrophobicContact CE1-CD2 4.35Å; F675-L692 HydrophobicContact CE2-CB 4.14Å; F675-L692 HydrophobicContact CE2-CD1 4.47Å; F675-L692 HydrophobicContact CG-CD1 3.82Å; F675-L692 HydrophobicContact CZ-CB 3.9Å; F675-M695 HydrophobicContact CD2-CE 3.59Å; F675-M695 HydrophobicContact CE2-CE 3.47Å; F675-M695 VanDerWaalsContact CE2-CE 3.47Å; F675-L706 HydrophobicContact CB-CD1 4.11Å; F675-L707 PolarHBondContact N-O 2.7Å; F675-V708 HydrophobicContact CB-CG2 4.49Å; F675-V708 CarbonylContact O-C 3.43Å; F675-V708 WeakPolarHBondContact O-CA 3.14Å; F675-F709 PolarHBondContact O-N 3.21Å; F675-L728 HydrophobicContact CE1-CD2 4.34Å
676V93.5Very high87.8Confident1 Ų144.3 Ų44.31%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-97.8124.6-177.6-168.80000109.6M607 V608 A613 K615 I618 I674 F709 N711M607-V676 HydrophobicContact CG-CG2 3.81Å; M607-V676 HydrophobicContact SD-CG2 4.1Å; V608-V676 PolarHBondContact O-N 3.38Å; A613-V676 HydrophobicContact CB-CB 4.41Å; A613-V676 HydrophobicContact CB-CG1 4.17Å; A613-V676 WeakPolarHBondContact CB-O 3.41Å; A613-V676 VanDerWaalsContact O-CG1 3.3Å; A613-V676 WeakPolarHBondContact O-CG1 3.17Å; K615-V676 HydrophobicContact CG-CB 4.08Å; K615-V676 HydrophobicContact CG-CG2 4.12Å; I618-V676 HydrophobicContact CD1-CG1 3.78Å; I618-V676 HydrophobicContact CD1-CG2 4.03Å; I674-V676 HydrophobicContact CG2-CG2 4.28Å; V676-F709 HydrophobicContact CG1-CB 4.42Å; V676-F709 HydrophobicContact CG2-CD2 4.39Å; V676-N711 HydrophobicContact CG1-CB 3.98Å
677V95Very high89Confident5 Ų543.9 Ų43.93%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-117.2135.7178.5179.30000109.6F675 S679 V708 F709 N711 V724 L728F675-V677 HydrophobicContact CD1-CG2 3.57Å; F675-V677 HydrophobicContact CE1-CG2 3.5Å; F675-V677 VanDerWaalsContact CE1-CG2 3.5Å; V677-S679 PolarHBondContact O-N 3.17Å; V677-V708 HydrophobicContact CG2-CG1 4.4Å; V677-F709 PolarHBondContact N-O 3.19Å; V677-N711 WeakPolarHBondContact O-CB 3.16Å; V677-N711 PolarHBondContact O-N 3.13Å; V677-V724 HydrophobicContact CB-CG1 4.46Å; V677-V724 HydrophobicContact CG1-CG1 4.28Å; V677-L728 HydrophobicContact CG2-CD1 4.03Å; V677-L728 HydrophobicContact CG2-CD2 4.39Å
678D94.3Very high89.7Confident19 Ų1943.9 Ų43.910%0.10222%0.215CC..EExtended strand (participates in β ladder)trans-74.6108.1166-171.5-23.6000108.9N680 D681 K712D678-N680 PolarHBondContact O-N 3Å; D678-N680 WeakPolarHBondContact OD1-CA 3.3Å; D678-N680 WeakPolarHBondContact OD1-CB 3.27Å; D678-N680 PolarHBondContact OD1-N 3.23Å; D678-D681 HydrophobicContact CB-CB 3.68Å; D678-D681 PolarHBondContact O-N 3.4Å; D678-D681 PolarHBondContact OD1-N 3.18Å; D678-K712 VanDerWaalsContact OD2-CE 3.3Å; D678-K712 WeakPolarHBondContact OD2-CE 3.49Å; D678-K712 IonicContact OD2-NZ 3.57Å; D678-K712 PolarHBondContact OD2-NZ 3.14Å
679S96.8Very high90.7Very high0 Ų042.9 Ų42.90%021%0.206CC..SBendtrans-67-21177.8-80.70000113.1V677 N711 Q713 A718 M719V677-S679 PolarHBondContact O-N 3.17Å; S679-N711 VanDerWaalsContact CB-O 3.22Å; S679-N711 WeakPolarHBondContact CB-O 3.47Å; S679-N711 PolarHBondContact N-O 3.34Å; S679-Q713 PolarHBondContact OG-NE2 3.37Å; S679-A718 CarbonylContact O-C 3.59Å; S679-A718 WeakPolarHBondContact O-CA 3.38Å; S679-M719 WeakPolarHBondContact CB-O 3.47Å; S679-M719 WeakPolarHBondContact O-CB 3.22Å; S679-M719 WeakPolarHBondContact O-CE 3.28Å; S679-M719 VanDerWaalsContact O-CG 3.28Å; S679-M719 WeakPolarHBondContact O-CG 3.19Å; S679-M719 PolarHBondContact O-N 3.16Å; S679-M719 PolarHBondContact OG-O 2.91Å
680N93.8Very high91.6Very high57 Ų5740.5 Ų40.531%0.30519%0.193SC..SBendtrans-87.9-19.4178.1-168.179.8000112.4D678 R682 L715D678-N680 PolarHBondContact O-N 3Å; D678-N680 WeakPolarHBondContact OD1-CA 3.3Å; D678-N680 WeakPolarHBondContact OD1-CB 3.27Å; D678-N680 PolarHBondContact OD1-N 3.23Å; N680-R682 VanDerWaalsContact C-N 3.31Å; N680-R682 PolarHBondContact O-N 3.43Å; N680-L715 HydrophobicContact CB-CB 3.99Å; N680-L715 HydrophobicContact CB-CD1 3.58Å; N680-L715 HydrophobicContact CB-CG 4.43Å
681D92Very high91.8Very high31 Ų3140.7 Ų40.717%0.16619%0.193CC..  trans-80.974.8175.5-162.2-28.7000111.5D678 E683 R684 V685D678-D681 HydrophobicContact CB-CB 3.68Å; D678-D681 PolarHBondContact O-N 3.4Å; D678-D681 PolarHBondContact OD1-N 3.18Å; D681-E683 PolarHBondContact O-N 3.36Å; D681-E683 PolarHBondContact OD1-N 3.12Å; D681-R684 WeakPolarHBondContact OD1-CB 2.97Å; D681-R684 PolarHBondContact OD1-N 2.9Å; D681-R684 IonicContact OD1-NE 3.04Å; D681-R684 IonicContact OD2-CZ 2.74Å; D681-R684 IonicContact OD2-NE 3.61Å; D681-R684 PolarHBondContact OD2-NE 3.49Å; D681-R684 IonicContact OD2-NH2 3.5Å; D681-R684 PolarHBondContact OD2-NH2 2.92Å; D681-V685 PolarHBondContact O-N 3.03Å
682R92.6Very high92.1Very high104 Ų10437.2 Ų37.239%0.39218%0.177SC..THydrogen-bonded Turntrans-67.3-17.8179.7-70.8174169.6-81.3-15.1113.5N680 V685 N717 M719 E723N680-R682 VanDerWaalsContact C-N 3.31Å; N680-R682 PolarHBondContact O-N 3.43Å; R682-V685 WeakPolarHBondContact O-CG1 3.11Å; R682-N717 PolarHBondContact NE-O 2.84Å; R682-N717 PolarHBondContact NH2-O 3.38Å; R682-M719 HydrophobicContact CG-CE 4.24Å; R682-M719 HydrophobicContact CG-CG 3.9Å; R682-M719 HydrophobicContact CG-SD 3.98Å; R682-E723 IonicContact CZ-OE1 3.46Å; R682-E723 IonicContact CZ-OE2 2.67Å; R682-E723 IonicContact NH1-OE1 3.28Å; R682-E723 PolarHBondContact NH1-OE1 2.79Å; R682-E723 IonicContact NH1-OE2 3.24Å; R682-E723 PolarHBondContact NH1-OE2 2.89Å; R682-E723 IonicContact NH2-OE1 2.79Å; R682-E723 IonicContact NH2-OE2 3.73Å; R682-E723 PolarHBondContact NH2-OE2 3.35Å
683E91.7Very high92.2Very high185 Ų18541.5 Ų41.586%0.86420%0.203SC*.THydrogen-bonded Turntrans-83.3-46.7-178.6-64.3-176.5177.200111.4D681D681-E683 PolarHBondContact O-N 3.36Å; D681-E683 PolarHBondContact OD1-N 3.12Å
684R90.3Very high92Very high70 Ų7046.6 Ų46.626%0.26422%0.222SC..THydrogen-bonded Turntrans-90.63.2-176-60.1-171.3-64.3159.54.5115L610 D611 D681 G686 E687 A688L610-R684 HydrophobicContact CD1-CB 3.9Å; D611-R684 VanDerWaalsContact CG-NH1 3.34Å; D611-R684 PolarHBondContact O-NH2 3.25Å; D611-R684 IonicContact OD1-NH1 3.7Å; D611-R684 PolarHBondContact OD1-NH1 3.5Å; D611-R684 IonicContact OD2-CZ 3.18Å; D611-R684 IonicContact OD2-NH1 2.66Å; D611-R684 PolarHBondContact OD2-NH1 3.42Å; D611-R684 IonicContact OD2-NH2 3.85Å; D681-R684 WeakPolarHBondContact OD1-CB 2.97Å; D681-R684 PolarHBondContact OD1-N 2.9Å; D681-R684 IonicContact OD1-NE 3.04Å; D681-R684 IonicContact OD2-CZ 2.74Å; D681-R684 IonicContact OD2-NE 3.61Å; D681-R684 PolarHBondContact OD2-NE 3.49Å; D681-R684 IonicContact OD2-NH2 3.5Å; D681-R684 PolarHBondContact OD2-NH2 2.92Å; R684-G686 PolarHBondContact O-N 3.31Å; R684-E687 WeakPolarHBondContact O-CB 3.4Å; R684-E687 PolarHBondContact O-N 3.46Å; R684-A688 PolarHBondContact O-N 3.25Å
685V93.1Very high91.7Very high11 Ų1146.7 Ų46.77%0.06722%0.223CC..Hα-helixtrans-59.7-29.6175.169.90000113.6D681 R682 A688 R689 M719 K727D681-V685 PolarHBondContact O-N 3.03Å; R682-V685 WeakPolarHBondContact O-CG1 3.11Å; V685-A688 PolarHBondContact O-N 2.85Å; V685-R689 PolarHBondContact O-N 2.76Å; V685-M719 HydrophobicContact CB-CE 3.97Å; V685-M719 HydrophobicContact CB-SD 4.49Å; V685-M719 HydrophobicContact CG1-CE 4.45Å; V685-M719 HydrophobicContact CG1-SD 4.42Å; V685-M719 HydrophobicContact CG2-CE 3.93Å; V685-M719 HydrophobicContact CG2-SD 4.3Å; V685-K727 HydrophobicContact CG1-CB 4.42Å; V685-K727 HydrophobicContact CG1-CD 3.61Å; V685-K727 HydrophobicContact CG2-CB 3.9Å; V685-K727 HydrophobicContact CG2-CD 4.19Å
686G91.5Very high91.5Very high27 Ų2747.6 Ų47.628%0.27823%0.228SC..Hα-helixtrans-67.2-40.2172.600000112.7R684 R689 D690R684-G686 PolarHBondContact O-N 3.31Å; G686-R689 WeakPolarHBondContact O-CB 3.28Å; G686-R689 PolarHBondContact O-N 3.35Å; G686-D690 VanDerWaalsContact O-CG 3.29Å; G686-D690 PolarHBondContact O-N 2.75Å; G686-D690 VanDerWaalsContact O-N 3.07Å
687E90.2Very high91.1Very high64 Ų6450.7 Ų50.730%0.29926%0.26SS..Hα-helixtrans-65.1-40.3173-171.9-173177.900111.1L610 R660 R684 R689 D690 E691L610-E687 HydrophobicContact CD1-CB 4.25Å; L610-E687 HydrophobicContact CD1-CG 4.39Å; L610-E687 HydrophobicContact CD2-CG 4.21Å; R660-E687 IonicContact CZ-OE1 2.74Å; R660-E687 VanDerWaalsContact CZ-OE1 3.27Å; R660-E687 IonicContact NH1-OE1 2.7Å; R660-E687 PolarHBondContact NH1-OE1 3.03Å; R660-E687 IonicContact NH2-OE1 2.74Å; R660-E687 PolarHBondContact NH2-OE1 3.22Å; R684-E687 WeakPolarHBondContact O-CB 3.4Å; R684-E687 PolarHBondContact O-N 3.46Å; E687-R689 VanDerWaalsContact C-N 3.33Å; E687-R689 PolarHBondContact O-N 2.98Å; E687-D690 PolarHBondContact O-N 2.97Å; E687-E691 WeakPolarHBondContact O-CB 3.26Å; E687-E691 WeakPolarHBondContact O-CG 3.48Å; E687-E691 PolarHBondContact O-N 2.92Å
688A91.1Very high90.8Very high4 Ų451.9 Ų51.93%0.03327%0.265CS..Hα-helixtrans-61.8-39.4175.300000112.1L610 F675 R684 V685 L692 L728L610-A688 HydrophobicContact CD1-CB 3.85Å; L610-A688 HydrophobicContact CG-CB 4.1Å; F675-A688 HydrophobicContact CE1-CB 4.1Å; F675-A688 HydrophobicContact CZ-CB 4.14Å; F675-A688 WeakPolarHBondContact CZ-O 3.42Å; R684-A688 PolarHBondContact O-N 3.25Å; V685-A688 PolarHBondContact O-N 2.85Å; A688-L692 WeakPolarHBondContact O-CB 3.22Å; A688-L692 PolarHBondContact O-N 3.27Å; A688-L728 HydrophobicContact CB-CD2 4.34Å
689R93.7Very high90.2Very high103 Ų10356.3 Ų56.339%0.38929%0.289SS..Hα-helixtrans-60-50171.6178.7-160.368.5-158.8-5111.1V685 G686 E687 E691 L692 V693 K727 L728V685-R689 PolarHBondContact O-N 2.76Å; G686-R689 WeakPolarHBondContact O-CB 3.28Å; G686-R689 PolarHBondContact O-N 3.35Å; E687-R689 VanDerWaalsContact C-N 3.33Å; E687-R689 PolarHBondContact O-N 2.98Å; R689-E691 VanDerWaalsContact C-N 3.32Å; R689-E691 PolarHBondContact O-N 3.15Å; R689-L692 PolarHBondContact O-N 3.01Å; R689-V693 HydrophobicContact CG-CG2 4.31Å; R689-V693 WeakPolarHBondContact O-CG2 3.34Å; R689-V693 PolarHBondContact O-N 2.9Å; R689-K727 WeakPolarHBondContact CD-O 3.44Å; R689-L728 HydrophobicContact CB-CD2 4.12Å
690D90.4Very high89.6Confident87 Ų8760.5 Ų60.547%0.46531%0.309SS..Hα-helixtrans-66.8-36.4-174-65-12.5000111.5G686 E687 R694G686-D690 VanDerWaalsContact O-CG 3.29Å; G686-D690 PolarHBondContact O-N 2.75Å; G686-D690 VanDerWaalsContact O-N 3.07Å; E687-D690 PolarHBondContact O-N 2.97Å; D690-R694 WeakPolarHBondContact O-CB 3.35Å; D690-R694 PolarHBondContact O-N 3.41Å
691E87Confident89.2Confident11 Ų1157.8 Ų57.85%0.05129%0.294CS..Hα-helixtrans-64.7-43.9170.4-74.8-65.6142.800113.1L610 R660 W663 E687 R689 R694 M695L610-E691 HydrophobicContact CD2-CG 4.09Å; R660-E691 VanDerWaalsContact CD-CD 3.45Å; R660-E691 WeakPolarHBondContact CD-OE1 3.35Å; R660-E691 WeakPolarHBondContact CD-OE2 3.35Å; R660-E691 IonicContact CZ-OE1 2.64Å; R660-E691 IonicContact NE-OE1 2.92Å; R660-E691 IonicContact NH1-OE1 3.98Å; R660-E691 PolarHBondContact NH1-OE1 3.3Å; W663-E691 WeakPolarHBondContact CH2-OE2 3.44Å; W663-E691 WeakPolarHBondContact CZ3-OE2 3.42Å; E687-E691 WeakPolarHBondContact O-CB 3.26Å; E687-E691 WeakPolarHBondContact O-CG 3.48Å; E687-E691 PolarHBondContact O-N 2.92Å; R689-E691 VanDerWaalsContact C-N 3.32Å; R689-E691 PolarHBondContact O-N 3.15Å; E691-R694 PolarHBondContact O-N 3.18Å; E691-R694 IonicContact OE1-CZ 3.31Å; E691-R694 IonicContact OE1-NH1 2.66Å; E691-R694 PolarHBondContact OE1-NH1 3.08Å; E691-R694 IonicContact OE1-NH2 3.87Å; E691-R694 PolarHBondContact OE1-NH2 3.22Å; E691-R694 IonicContact OE2-CZ 2.79Å; E691-R694 IonicContact OE2-NH1 2.72Å; E691-R694 PolarHBondContact OE2-NH1 3.2Å; E691-R694 IonicContact OE2-NH2 2.75Å; E691-R694 PolarHBondContact OE2-NH2 3.41Å; E691-M695 WeakPolarHBondContact O-CG 3.34Å; E691-M695 PolarHBondContact O-N 2.92Å
692L91.7Very high88.9Confident2 Ų263.1 Ų63.11%0.0131%0.312CS..Hα-helixtrans-62.3-50.1175.8178.960.9000110.9F675 A688 R689 R694 M695 L696 L706 L728 L730F675-L692 HydrophobicContact CB-CD1 4.09Å; F675-L692 HydrophobicContact CD1-CB 4.31Å; F675-L692 HydrophobicContact CD1-CD1 4.19Å; F675-L692 HydrophobicContact CD1-CD2 4.08Å; F675-L692 HydrophobicContact CD1-CG 4.43Å; F675-L692 HydrophobicContact CD2-CB 4.45Å; F675-L692 HydrophobicContact CD2-CD1 3.96Å; F675-L692 HydrophobicContact CE1-CB 3.97Å; F675-L692 HydrophobicContact CE1-CD2 4.35Å; F675-L692 HydrophobicContact CE2-CB 4.14Å; F675-L692 HydrophobicContact CE2-CD1 4.47Å; F675-L692 HydrophobicContact CG-CD1 3.82Å; F675-L692 HydrophobicContact CZ-CB 3.9Å; A688-L692 WeakPolarHBondContact O-CB 3.22Å; A688-L692 PolarHBondContact O-N 3.27Å; R689-L692 PolarHBondContact O-N 3.01Å; L692-R694 VanDerWaalsContact C-N 3.31Å; L692-R694 PolarHBondContact O-N 2.72Å; L692-M695 PolarHBondContact O-N 2.84Å; L692-L696 HydrophobicContact CD1-CD1 3.77Å; L692-L696 HydrophobicContact CD1-CD2 4.24Å; L692-L696 HydrophobicContact CD1-CG 3.87Å; L692-L696 HydrophobicContact CD2-CD1 4.48Å; L692-L696 HydrophobicContact CG-CD1 3.78Å; L692-L696 HydrophobicContact CG-CG 4.25Å; L692-L696 VanDerWaalsContact O-CG 3.26Å; L692-L696 WeakPolarHBondContact O-CG 3.43Å; L692-L696 PolarHBondContact O-N 3.4Å; L692-L706 HydrophobicContact CD1-CD1 4.08Å; L692-L706 HydrophobicContact CD1-CD2 4.36Å; L692-L728 HydrophobicContact CD2-CB 4.49Å; L692-L728 HydrophobicContact CD2-CD1 4.3Å; L692-L728 HydrophobicContact CD2-CD2 4.5Å; L692-L730 HydrophobicContact CD2-CD2 3.79Å
693V90.2Very high88.6Confident89 Ų8963.1 Ų63.154%0.53932%0.319SS..Hα-helixtrans-58.4-43178170.70000110.9R689 M695 L696 G697R689-V693 HydrophobicContact CG-CG2 4.31Å; R689-V693 WeakPolarHBondContact O-CG2 3.34Å; R689-V693 PolarHBondContact O-N 2.9Å; V693-M695 PolarHBondContact O-N 2.95Å; V693-L696 PolarHBondContact O-N 2.99Å; V693-G697 PolarHBondContact O-N 3.47Å
694R86.8Confident88.5Confident107 Ų10754.3 Ų54.340%0.40428%0.279SS..Hα-helixtrans-61-45.4176.9-166.2-17874.4-131.6-10.1111.9D690 E691 L692 G697D690-R694 WeakPolarHBondContact O-CB 3.35Å; D690-R694 PolarHBondContact O-N 3.41Å; E691-R694 PolarHBondContact O-N 3.18Å; E691-R694 IonicContact OE1-CZ 3.31Å; E691-R694 IonicContact OE1-NH1 2.66Å; E691-R694 PolarHBondContact OE1-NH1 3.08Å; E691-R694 IonicContact OE1-NH2 3.87Å; E691-R694 PolarHBondContact OE1-NH2 3.22Å; E691-R694 IonicContact OE2-CZ 2.79Å; E691-R694 IonicContact OE2-NH1 2.72Å; E691-R694 PolarHBondContact OE2-NH1 3.2Å; E691-R694 IonicContact OE2-NH2 2.75Å; E691-R694 PolarHBondContact OE2-NH2 3.41Å; L692-R694 VanDerWaalsContact C-N 3.31Å; L692-R694 PolarHBondContact O-N 2.72Å; R694-G697 PolarHBondContact O-N 2.75Å
695M86.5Confident88.6Confident2 Ų251 Ų511%0.0127%0.266CS..Hα-helixtrans-65.8-42.8177.7-73.5-172-68.900113.1V608 W663 F667 F675 E691 L692 V693 G697 E698 L701V608-M695 HydrophobicContact CB-CE 4.39Å; V608-M695 HydrophobicContact CB-SD 4.29Å; V608-M695 HydrophobicContact CG1-SD 4.49Å; V608-M695 HydrophobicContact CG2-CE 3.84Å; V608-M695 HydrophobicContact CG2-SD 3.89Å; W663-M695 HydrophobicContact CD2-SD 4.45Å; W663-M695 HydrophobicContact CE3-CE 4.49Å; W663-M695 HydrophobicContact CE3-CG 3.76Å; W663-M695 HydrophobicContact CE3-SD 3.39Å; W663-M695 HydrophobicContact CZ3-CE 3.95Å; W663-M695 HydrophobicContact CZ3-CG 3.91Å; W663-M695 HydrophobicContact CZ3-SD 3.43Å; W663-M695 WeakPolarHBondContact CZ3-SD 3.44Å; F667-M695 HydrophobicContact CZ-CG 4.1Å; F675-M695 HydrophobicContact CD2-CE 3.59Å; F675-M695 HydrophobicContact CE2-CE 3.47Å; F675-M695 VanDerWaalsContact CE2-CE 3.47Å; E691-M695 WeakPolarHBondContact O-CG 3.34Å; E691-M695 PolarHBondContact O-N 2.92Å; L692-M695 PolarHBondContact O-N 2.84Å; V693-M695 PolarHBondContact O-N 2.95Å; M695-G697 PolarHBondContact O-N 2.93Å; M695-E698 PolarHBondContact O-N 3.16Å; M695-L701 HydrophobicContact CB-CD1 4.17Å; M695-L701 WeakPolarHBondContact O-CD1 3.34Å
696L88.9Confident88.7Confident21 Ų2150.5 Ų50.511%0.1126%0.263CS..Hα-helixtrans-69.5-13.7-178.1-63.1176.9000113.3L673 L692 V693 L706 L733 R736L673-L696 HydrophobicContact CD2-CD2 3.77Å; L692-L696 HydrophobicContact CD1-CD1 3.77Å; L692-L696 HydrophobicContact CD1-CD2 4.24Å; L692-L696 HydrophobicContact CD1-CG 3.87Å; L692-L696 HydrophobicContact CD2-CD1 4.48Å; L692-L696 HydrophobicContact CG-CD1 3.78Å; L692-L696 HydrophobicContact CG-CG 4.25Å; L692-L696 VanDerWaalsContact O-CG 3.26Å; L692-L696 WeakPolarHBondContact O-CG 3.43Å; L692-L696 PolarHBondContact O-N 3.4Å; V693-L696 PolarHBondContact O-N 2.99Å; L696-L706 HydrophobicContact CD1-CD2 4.04Å; L696-L706 HydrophobicContact CD2-CD2 4.41Å; L696-L733 HydrophobicContact CD1-CD1 3.78Å; L696-L733 HydrophobicContact CD1-CD2 3.9Å; L696-R736 PolarHBondContact O-NH2 3.1Å
697G86.4Confident88.9Confident66 Ų6649.2 Ų49.268%0.6825%0.25SC*.THydrogen-bonded Turntrans-87.6-2.2173.800000115.3V693 R694 M695V693-G697 PolarHBondContact O-N 3.47Å; R694-G697 PolarHBondContact O-N 2.75Å; M695-G697 PolarHBondContact O-N 2.93Å
698E87.6Confident89.2Confident29 Ų2946.1 Ų46.114%0.13624%0.235CC..SBendtrans-84.5132.2176.4-55.6-82.815900109.8R664 F667 M695 E700 L701 R702R664-E698 IonicContact CZ-OE1 3.71Å; R664-E698 VanDerWaalsContact CZ-OE1 3.32Å; R664-E698 IonicContact CZ-OE2 3.76Å; R664-E698 VanDerWaalsContact NE-CD 3.31Å; R664-E698 IonicContact NE-OE1 3.55Å; R664-E698 PolarHBondContact NE-OE1 3.31Å; R664-E698 VanDerWaalsContact NE-OE1 3.16Å; R664-E698 IonicContact NE-OE2 3.26Å; R664-E698 PolarHBondContact NE-OE2 3.05Å; R664-E698 IonicContact NH2-OE1 3.39Å; R664-E698 PolarHBondContact NH2-OE1 2.79Å; R664-E698 IonicContact NH2-OE2 2.68Å; R664-E698 PolarHBondContact NH2-OE2 3.43Å; F667-E698 HydrophobicContact CD2-CB 3.94Å; F667-E698 HydrophobicContact CD2-CG 4.05Å; F667-E698 HydrophobicContact CE2-CB 4.12Å; F667-E698 HydrophobicContact CE2-CG 3.7Å; M695-E698 PolarHBondContact O-N 3.16Å; E698-E700 VanDerWaalsContact C-N 3.28Å; E698-E700 PolarHBondContact O-N 3.41Å; E698-L701 PolarHBondContact O-N 2.99Å; E698-R702 PolarHBondContact O-N 3.31Å
699D82.6Confident89.5Confident113 Ų11346 Ų4660%0.60423%0.234SC*.G310 helixtrans-60.3-34.8-172.2-96.1-49.6000113L701 R702D699-L701 PolarHBondContact O-N 3.44Å; D699-R702 WeakPolarHBondContact O-CB 3.47Å; D699-R702 PolarHBondContact O-N 3.28Å; D699-R702 VanDerWaalsContact O-N 3.15Å; D699-R702 IonicContact OD1-CZ 2.68Å; D699-R702 IonicContact OD1-NH1 3.05Å; D699-R702 PolarHBondContact OD1-NH1 2.81Å
700E83.4Confident89.7Confident88 Ų8841 Ų4141%0.41122%0.215SC..G310 helixtrans-67.3-22.4178.1-55.896.4145.800113.1F667 E698F667-E700 HydrophobicContact CB-CB 3.67Å; F667-E700 HydrophobicContact CB-CG 4.47Å; E698-E700 VanDerWaalsContact C-N 3.28Å; E698-E700 PolarHBondContact O-N 3.41Å
701L86.7Confident90Very high0 Ų037 Ų370%019%0.194CC..G310 helixtrans-98.1-1174.8-67.7-174.8000113.2F667 T670 L673 M695 E698 D699 D703 A704 R736F667-L701 HydrophobicContact CB-CD2 3.99Å; F667-L701 HydrophobicContact CB-CG 3.86Å; F667-L701 HydrophobicContact CD1-CD1 3.58Å; F667-L701 HydrophobicContact CD1-CD2 4.03Å; F667-L701 HydrophobicContact CD1-CG 3.86Å; F667-L701 HydrophobicContact CD2-CD1 4.21Å; F667-L701 HydrophobicContact CD2-CG 4.24Å; F667-L701 HydrophobicContact CE1-CD1 3.72Å; F667-L701 HydrophobicContact CE1-CG 4.48Å; F667-L701 HydrophobicContact CE2-CD1 4.37Å; F667-L701 HydrophobicContact CG-CD1 3.86Å; F667-L701 HydrophobicContact CG-CD2 4.15Å; F667-L701 HydrophobicContact CG-CG 3.73Å; F667-L701 HydrophobicContact CZ-CD1 4.12Å; T670-L701 HydrophobicContact CG2-CD2 3.71Å; L673-L701 HydrophobicContact CD1-CD1 4.4Å; L673-L701 HydrophobicContact CD2-CD1 4.34Å; M695-L701 HydrophobicContact CB-CD1 4.17Å; M695-L701 WeakPolarHBondContact O-CD1 3.34Å; E698-L701 PolarHBondContact O-N 2.99Å; D699-L701 PolarHBondContact O-N 3.44Å; L701-D703 PolarHBondContact O-N 2.78Å; L701-A704 HydrophobicContact CD2-CB 4.34Å; L701-A704 WeakPolarHBondContact O-CB 3.3Å; L701-A704 PolarHBondContact O-N 2.83Å; L701-A704 VanDerWaalsContact O-N 3.08Å; L701-R736 VanDerWaalsContact O-CZ 3.26Å; L701-R736 PolarHBondContact O-NH1 3.05Å; L701-R736 PolarHBondContact O-NH2 3.12Å
702R85.4Confident90.4Very high142 Ų14238.8 Ų38.854%0.53620%0.201SC..THydrogen-bonded Turntrans-50.2-46.2-176.8-177.7178.563.7-134.2-4.1112.4E698 D699 R736E698-R702 PolarHBondContact O-N 3.31Å; D699-R702 WeakPolarHBondContact O-CB 3.47Å; D699-R702 PolarHBondContact O-N 3.28Å; D699-R702 VanDerWaalsContact O-N 3.15Å; D699-R702 IonicContact OD1-CZ 2.68Å; D699-R702 IonicContact OD1-NH1 3.05Å; D699-R702 PolarHBondContact OD1-NH1 2.81Å; R702-R736 PolarHBondContact O-NH2 3.03Å
703D84.7Confident90.6Very high104 Ų10441.6 Ų41.656%0.55621%0.214SC*.THydrogen-bonded Turntrans-93.16.4-174.6-60.4-56000113.5L701 R765L701-D703 PolarHBondContact O-N 2.78Å; D703-R765 PolarHBondContact O-NH1 3.16Å
704A89.9Confident90.6Very high1 Ų141.8 Ų41.81%0.00821%0.212CC..PPolyproline II helixtrans-75.9141.9179.800000113.8Q671 L701 R736Q671-A704 WeakPolarHBondContact O-CA 3.43Å; L701-A704 HydrophobicContact CD2-CB 4.34Å; L701-A704 WeakPolarHBondContact O-CB 3.3Å; L701-A704 PolarHBondContact O-N 2.83Å; L701-A704 VanDerWaalsContact O-N 3.08Å; A704-R736 PolarHBondContact O-NH1 3.05Å
705V92.6Very high90.9Very high0 Ų039.4 Ų39.40%021%0.207CC..EExtended strand (participates in β ladder)trans-74.8135.9170.2-178.20000109.7Q671 G672 L673 W757 L758 Q761 L762Q671-V705 PolarHBondContact O-N 2.64Å; G672-V705 CarbonylContact C-O 3.58Å; G672-V705 WeakPolarHBondContact CA-O 3.28Å; L673-V705 PolarHBondContact N-O 2.88Å; V705-W757 HydrophobicContact CG1-CH2 3.51Å; V705-W757 HydrophobicContact CG1-CZ3 3.54Å; V705-L758 HydrophobicContact CB-CD1 3.91Å; V705-L758 HydrophobicContact CG1-CD1 3.62Å; V705-Q761 HydrophobicContact CG1-CB 3.9Å; V705-Q761 HydrophobicContact CG1-CG 4.24Å; V705-Q761 HydrophobicContact CG2-CB 4.18Å; V705-L762 HydrophobicContact CB-CD2 4.34Å; V705-L762 HydrophobicContact CG2-CD2 3.88Å; V705-L762 HydrophobicContact CG2-CG 4.37Å
706L95.5Very high90.8Very high0 Ų045.3 Ų45.30%025%0.246CC..EExtended strand (participates in β ladder)trans-103.9120.8179.1174.363.7000112.1L673 F675 L692 L696 V708 L730 L733 S737 W738 Y739 W757L673-L706 HydrophobicContact CB-CD1 4.42Å; L673-L706 HydrophobicContact CD2-CD1 4.19Å; L673-L706 HydrophobicContact CG-CD1 4.4Å; L673-L706 WeakPolarHBondContact O-CA 3.48Å; F675-L706 HydrophobicContact CB-CD1 4.11Å; L692-L706 HydrophobicContact CD1-CD1 4.08Å; L692-L706 HydrophobicContact CD1-CD2 4.36Å; L696-L706 HydrophobicContact CD1-CD2 4.04Å; L696-L706 HydrophobicContact CD2-CD2 4.41Å; L706-V708 HydrophobicContact CD1-CG2 4.09Å; L706-V708 HydrophobicContact CD2-CG2 4.16Å; L706-V708 HydrophobicContact CG-CG2 3.99Å; L706-L730 HydrophobicContact CD2-CD2 4.36Å; L706-L733 HydrophobicContact CD2-CD1 3.72Å; L706-S737 PolarHBondContact N-O 3.5Å; L706-W738 HydrophobicContact CB-CB 3.94Å; L706-W738 HydrophobicContact CD2-CB 4.1Å; L706-W738 HydrophobicContact CG-CB 4.2Å; L706-W738 CarbonylContact O-C 3.54Å; L706-W738 WeakPolarHBondContact O-CA 3.46Å; L706-Y739 PolarHBondContact O-N 2.81Å; L706-W757 WeakPolarHBondContact O-CZ3 3.41Å
707L95.5Very high90.8Very high0 Ų049.6 Ų49.60%027%0.269CS..EExtended strand (participates in β ladder)trans-106.5130.4163.4175.866.5000108.8L673 I674 F675 F709 Y739 Q741 G754 W757 L758L673-L707 PolarHBondContact O-N 3.29Å; I674-L707 CarbonylContact C-O 3.6Å; I674-L707 VanDerWaalsContact CA-O 3.3Å; I674-L707 WeakPolarHBondContact CA-O 3.3Å; I674-L707 HydrophobicContact CD1-CD2 4.32Å; I674-L707 HydrophobicContact CG1-CB 4.3Å; I674-L707 HydrophobicContact CG1-CD2 4.15Å; I674-L707 HydrophobicContact CG2-CD2 4.37Å; F675-L707 PolarHBondContact N-O 2.7Å; L707-F709 HydrophobicContact CD2-CD1 4.37Å; L707-F709 HydrophobicContact CD2-CE1 3.81Å; L707-F709 HydrophobicContact CD2-CE2 4.11Å; L707-F709 HydrophobicContact CD2-CZ 3.66Å; L707-F709 HydrophobicContact CG-CD1 4.48Å; L707-F709 HydrophobicContact CG-CE1 4.34Å; L707-Y739 CarbonylContact C-O 3.56Å; L707-Y739 HydrophobicContact CD1-CD1 3.8Å; L707-Q741 HydrophobicContact CD1-CB 4.49Å; L707-G754 WeakPolarHBondContact CD2-O 3.45Å; L707-W757 HydrophobicContact CB-CZ3 4.4Å; L707-W757 HydrophobicContact CD1-CE3 4.2Å; L707-L758 HydrophobicContact CB-CD1 4.44Å; L707-L758 HydrophobicContact CB-CD2 4.05Å; L707-L758 HydrophobicContact CD2-CB 4.26Å; L707-L758 HydrophobicContact CD2-CD2 3.96Å
708V97.5Very high91.2Very high0 Ų047.5 Ų47.50%025%0.245CC..EExtended strand (participates in β ladder)trans-108.3124172.2-177.70000109.4F675 V677 L706 L728 L730 Y739 I740 Q741F675-V708 HydrophobicContact CB-CG2 4.49Å; F675-V708 CarbonylContact O-C 3.43Å; F675-V708 WeakPolarHBondContact O-CA 3.14Å; V677-V708 HydrophobicContact CG2-CG1 4.4Å; L706-V708 HydrophobicContact CD1-CG2 4.09Å; L706-V708 HydrophobicContact CD2-CG2 4.16Å; L706-V708 HydrophobicContact CG-CG2 3.99Å; V708-L728 HydrophobicContact CG1-CD1 3.8Å; V708-L730 HydrophobicContact CB-CD1 4.41Å; V708-L730 HydrophobicContact CG2-CD1 3.9Å; V708-L730 HydrophobicContact CG2-CD2 4.25Å; V708-Y739 PolarHBondContact N-O 3.04Å; V708-I740 HydrophobicContact CB-CB 4.19Å; V708-I740 HydrophobicContact CB-CD1 4.2Å; V708-I740 HydrophobicContact CB-CG1 3.97Å; V708-I740 HydrophobicContact CG1-CD1 3.84Å; V708-I740 HydrophobicContact CG1-CG1 4.03Å; V708-I740 WeakPolarHBondContact O-CA 3.38Å; V708-Q741 PolarHBondContact O-N 3.43Å
709F97.1Very high91.6Very high0 Ų046.1 Ų46.10%024%0.238CC..EExtended strand (participates in β ladder)trans-96.4109.4169.2-76.2-39.6000109.5I618 I674 F675 V676 V677 L707 N711 Q741 T743 L751 L755I618-F709 HydrophobicContact CD1-CD2 3.86Å; I618-F709 HydrophobicContact CD1-CE2 4.44Å; I618-F709 HydrophobicContact CG2-CE2 4.45Å; I674-F709 HydrophobicContact CG2-CD2 3.46Å; I674-F709 VanDerWaalsContact CG2-CD2 3.46Å; I674-F709 HydrophobicContact CG2-CE2 3.7Å; I674-F709 HydrophobicContact CG2-CG 4.32Å; F675-F709 PolarHBondContact O-N 3.21Å; V676-F709 HydrophobicContact CG1-CB 4.42Å; V676-F709 HydrophobicContact CG2-CD2 4.39Å; V677-F709 PolarHBondContact N-O 3.19Å; L707-F709 HydrophobicContact CD2-CD1 4.37Å; L707-F709 HydrophobicContact CD2-CE1 3.81Å; L707-F709 HydrophobicContact CD2-CE2 4.11Å; L707-F709 HydrophobicContact CD2-CZ 3.66Å; L707-F709 HydrophobicContact CG-CD1 4.48Å; L707-F709 HydrophobicContact CG-CE1 4.34Å; F709-N711 VanDerWaalsContact C-N 3.34Å; F709-N711 PolarHBondContact O-N 3.21Å; F709-N711 VanDerWaalsContact O-N 3.16Å; F709-Q741 HydrophobicContact CD1-CB 4.1Å; F709-Q741 HydrophobicContact CD1-CG 4.45Å; F709-Q741 HydrophobicContact CE1-CB 4.28Å; F709-Q741 HydrophobicContact CE1-CG 4.34Å; F709-T743 HydrophobicContact CB-CG2 4.41Å; F709-T743 HydrophobicContact CD1-CG2 3.31Å; F709-T743 HydrophobicContact CE1-CG2 3.67Å; F709-T743 HydrophobicContact CG-CG2 4.06Å; F709-L751 HydrophobicContact CE1-CD2 4.49Å; F709-L751 HydrophobicContact CE2-CD2 4.29Å; F709-L751 HydrophobicContact CZ-CD2 4.23Å; F709-L755 HydrophobicContact CZ-CD2 4.41Å; F709-L755 HydrophobicContact CZ-CG 4.33Å
710A97.4Very high92.2Very high0 Ų044.9 Ų44.90%023%0.232CC..EExtended strand (participates in β ladder)trans-80.585167.700000107.7Q713 V724 I740 Q741 T743A710-Q713 WeakPolarHBondContact O-CG 3.43Å; A710-Q713 PolarHBondContact O-NE2 3.43Å; A710-Q713 VanDerWaalsContact O-NE2 3.17Å; A710-V724 HydrophobicContact CB-CB 4.35Å; A710-V724 HydrophobicContact CB-CG1 4.4Å; A710-V724 HydrophobicContact CB-CG2 4.1Å; A710-I740 HydrophobicContact CB-CD1 4.31Å; A710-I740 HydrophobicContact CB-CG1 4.32Å; A710-Q741 PolarHBondContact N-O 3.17Å; A710-T743 PolarHBondContact O-N 3.05Å; A710-T743 PolarHBondContact O-OG1 2.96Å
711N96.8Very high92.7Very high2 Ų241.9 Ų41.91%0.01122%0.222CC..EExtended strand (participates in β ladder)trans-90.7162.1-167.7-174.235.4000112.5A613 V676 V677 S679 F709 T743 A745A613-N711 PolarHBondContact O-ND2 3.22Å; V676-N711 HydrophobicContact CG1-CB 3.98Å; V677-N711 WeakPolarHBondContact O-CB 3.16Å; V677-N711 PolarHBondContact O-N 3.13Å; S679-N711 VanDerWaalsContact CB-O 3.22Å; S679-N711 WeakPolarHBondContact CB-O 3.47Å; S679-N711 PolarHBondContact N-O 3.34Å; F709-N711 VanDerWaalsContact C-N 3.34Å; F709-N711 PolarHBondContact O-N 3.21Å; F709-N711 VanDerWaalsContact O-N 3.16Å; N711-T743 CarbonylContact C-O 3.58Å; N711-T743 WeakPolarHBondContact CA-O 3.49Å; N711-T743 VanDerWaalsContact CA-OG1 3.3Å; N711-T743 WeakPolarHBondContact CA-OG1 3.3Å; N711-A745 WeakPolarHBondContact OD1-CB 3.42Å; N711-A745 PolarHBondContact OD1-N 3.19Å
712K95.5Very high93.1Very high48 Ų4844.8 Ų44.821%0.20925%0.246CC..  trans68.439.6-176.1-45.7-169.5-167.6170.60114.4A612 D678 D714 L715 A718 T743A612-K712 WeakPolarHBondContact O-CE 3.22Å; A612-K712 PolarHBondContact O-NZ 2.91Å; D678-K712 VanDerWaalsContact OD2-CE 3.3Å; D678-K712 WeakPolarHBondContact OD2-CE 3.49Å; D678-K712 IonicContact OD2-NZ 3.57Å; D678-K712 PolarHBondContact OD2-NZ 3.14Å; K712-D714 WeakPolarHBondContact CA-OD1 3.46Å; K712-D714 PolarHBondContact O-N 2.85Å; K712-L715 HydrophobicContact CB-CD1 3.86Å; K712-L715 HydrophobicContact CB-CG 4.17Å; K712-L715 HydrophobicContact CD-CD1 3.88Å; K712-L715 PolarHBondContact O-N 3.14Å; K712-A718 WeakPolarHBondContact O-CB 3.37Å; K712-T743 PolarHBondContact N-O 3.17Å; K712-T743 VanDerWaalsContact N-O 3.13Å
713Q95.7Very high93.6Very high61 Ų6140.6 Ų40.629%0.28523%0.233SC..THydrogen-bonded Turntrans-66.7-8.7174.1-61.5-70.5-47.900113.4S679 A710 L715 M719 A742 T743S679-Q713 PolarHBondContact OG-NE2 3.37Å; A710-Q713 WeakPolarHBondContact O-CG 3.43Å; A710-Q713 PolarHBondContact O-NE2 3.43Å; A710-Q713 VanDerWaalsContact O-NE2 3.17Å; Q713-L715 VanDerWaalsContact C-N 3.27Å; Q713-M719 PolarHBondContact NE2-O 2.91Å; Q713-A742 HydrophobicContact CG-CB 4.04Å; Q713-T743 VanDerWaalsContact CG-O 3.3Å; Q713-T743 WeakPolarHBondContact CG-O 3.22Å; Q713-T743 PolarHBondContact N-O 2.66Å
714D91.3Very high94.2Very high93 Ų9335.6 Ų35.650%0.49721%0.206SC..THydrogen-bonded Turntrans-72.4-15.2170.959.6-53000113.7K712K712-D714 WeakPolarHBondContact CA-OD1 3.46Å; K712-D714 PolarHBondContact O-N 2.85Å
715L92.4Very high94.4Very high58 Ų5836.5 Ų36.530%0.30421%0.212SC..SBendtrans-88.8139.5-177.8-61-179000112.3N680 K712 Q713 N717 A718N680-L715 HydrophobicContact CB-CB 3.99Å; N680-L715 HydrophobicContact CB-CD1 3.58Å; N680-L715 HydrophobicContact CB-CG 4.43Å; K712-L715 HydrophobicContact CB-CD1 3.86Å; K712-L715 HydrophobicContact CB-CG 4.17Å; K712-L715 HydrophobicContact CD-CD1 3.88Å; K712-L715 PolarHBondContact O-N 3.14Å; Q713-L715 VanDerWaalsContact C-N 3.27Å; L715-N717 VanDerWaalsContact C-N 3.26Å; L715-N717 PolarHBondContact O-N 3.01Å; L715-N717 VanDerWaalsContact O-N 3.1Å; L715-A718 VanDerWaalsContact O-CB 3.23Å; L715-A718 WeakPolarHBondContact O-CB 3.5Å; L715-A718 PolarHBondContact O-N 3.11Å; L715-A718 VanDerWaalsContact O-N 3.08Å
716P84.1Confident94.5Very high125 Ų12541.6 Ų41.681%0.81224%0.239SC*.THydrogen-bonded Turntrans-66.7-20.2-166.325.4-35.8000115.3
717N89.5Confident94.5Very high111 Ų11144.8 Ų44.859%0.59425%0.253SS*.THydrogen-bonded Turntrans-108.112.7179.4-69-27.4000112.9R682 L715 M719R682-N717 PolarHBondContact NE-O 2.84Å; R682-N717 PolarHBondContact NH2-O 3.38Å; L715-N717 VanDerWaalsContact C-N 3.26Å; L715-N717 PolarHBondContact O-N 3.01Å; L715-N717 VanDerWaalsContact O-N 3.1Å; N717-M719 PolarHBondContact O-N 2.94Å
718A93.7Very high94.6Very high22 Ų2245.1 Ų45.118%0.18225%0.254CS..PPolyproline II helixtrans-58.6131.2-17800000112.5S679 K712 L715 N720S679-A718 CarbonylContact O-C 3.59Å; S679-A718 WeakPolarHBondContact O-CA 3.38Å; K712-A718 WeakPolarHBondContact O-CB 3.37Å; L715-A718 VanDerWaalsContact O-CB 3.23Å; L715-A718 WeakPolarHBondContact O-CB 3.5Å; L715-A718 PolarHBondContact O-N 3.11Å; L715-A718 VanDerWaalsContact O-N 3.08Å; A718-N720 PolarHBondContact O-N 2.87Å
719M96.9Very high94.3Very high0 Ų045.8 Ų45.80%026%0.261CS..PPolyproline II helixtrans-63.4122.1167.1-64178.2-74.500109.3S679 R682 V685 Q713 N717 E723 V724 K727S679-M719 WeakPolarHBondContact CB-O 3.47Å; S679-M719 WeakPolarHBondContact O-CB 3.22Å; S679-M719 WeakPolarHBondContact O-CE 3.28Å; S679-M719 VanDerWaalsContact O-CG 3.28Å; S679-M719 WeakPolarHBondContact O-CG 3.19Å; S679-M719 PolarHBondContact O-N 3.16Å; S679-M719 PolarHBondContact OG-O 2.91Å; R682-M719 HydrophobicContact CG-CE 4.24Å; R682-M719 HydrophobicContact CG-CG 3.9Å; R682-M719 HydrophobicContact CG-SD 3.98Å; V685-M719 HydrophobicContact CB-CE 3.97Å; V685-M719 HydrophobicContact CB-SD 4.49Å; V685-M719 HydrophobicContact CG1-CE 4.45Å; V685-M719 HydrophobicContact CG1-SD 4.42Å; V685-M719 HydrophobicContact CG2-CE 3.93Å; V685-M719 HydrophobicContact CG2-SD 4.3Å; Q713-M719 PolarHBondContact NE2-O 2.91Å; N717-M719 PolarHBondContact O-N 2.94Å; M719-E723 HydrophobicContact CB-CB 4.22Å; M719-E723 HydrophobicContact CB-CG 4.3Å; M719-E723 HydrophobicContact CG-CG 4.24Å; M719-E723 WeakPolarHBondContact CG-OE2 3.19Å; M719-V724 HydrophobicContact CB-CG2 3.58Å; M719-K727 HydrophobicContact SD-CD 3.75Å; M719-K727 PolarHBondContact SD-NZ 3.1Å
720N94.8Very high94.1Very high87 Ų8745.8 Ų45.847%0.46526%0.261SS..PPolyproline II helixtrans-66166.4173.169.743.8000110.8A718 A722 E723 V724A718-N720 PolarHBondContact O-N 2.87Å; N720-A722 PolarHBondContact O-N 2.76Å; N720-A722 WeakPolarHBondContact OD1-CB 3.46Å; N720-A722 PolarHBondContact OD1-N 3.41Å; N720-E723 PolarHBondContact O-N 2.93Å; N720-E723 VanDerWaalsContact O-N 3.15Å; N720-E723 PolarHBondContact OD1-N 2.68Å; N720-V724 WeakPolarHBondContact O-CG2 3.4Å; N720-V724 PolarHBondContact O-N 3.21Å
721A94.2Very high93.8Very high25 Ų2551 Ų5121%0.20729%0.286CS..Hα-helixtrans-57.9-33-176.500000113.7T725 I740 A742A721-T725 WeakPolarHBondContact O-CB 3.47Å; A721-T725 PolarHBondContact O-N 3.25Å; A721-T725 PolarHBondContact O-OG1 3.28Å; A721-I740 HydrophobicContact CB-CG1 4.27Å; A721-I740 HydrophobicContact CB-CG2 4.32Å; A721-I740 WeakPolarHBondContact O-CD1 3.27Å; A721-A742 HydrophobicContact CB-CB 4.44Å
722A93.7Very high93.4Very high61 Ų6155.3 Ų55.350%0.50431%0.312SS..Hα-helixtrans-68.3-46.7176.300000111.5N720 V724 T725 D726N720-A722 PolarHBondContact O-N 2.76Å; N720-A722 WeakPolarHBondContact OD1-CB 3.46Å; N720-A722 PolarHBondContact OD1-N 3.41Å; A722-V724 VanDerWaalsContact C-N 3.32Å; A722-V724 PolarHBondContact O-N 3.28Å; A722-T725 VanDerWaalsContact O-CB 3.28Å; A722-T725 WeakPolarHBondContact O-CB 3.25Å; A722-T725 PolarHBondContact O-N 3.08Å; A722-T725 VanDerWaalsContact O-N 3.09Å; A722-D726 PolarHBondContact O-N 3.19Å
723E96.2Very high93.1Very high54 Ų5454.9 Ų54.925%0.25231%0.312SS..Hα-helixtrans-61.8-39177.1-169.4-175.5173.400112R682 M719 N720 D726 K727R682-E723 IonicContact CZ-OE1 3.46Å; R682-E723 IonicContact CZ-OE2 2.67Å; R682-E723 IonicContact NH1-OE1 3.28Å; R682-E723 PolarHBondContact NH1-OE1 2.79Å; R682-E723 IonicContact NH1-OE2 3.24Å; R682-E723 PolarHBondContact NH1-OE2 2.89Å; R682-E723 IonicContact NH2-OE1 2.79Å; R682-E723 IonicContact NH2-OE2 3.73Å; R682-E723 PolarHBondContact NH2-OE2 3.35Å; M719-E723 HydrophobicContact CB-CB 4.22Å; M719-E723 HydrophobicContact CB-CG 4.3Å; M719-E723 HydrophobicContact CG-CG 4.24Å; M719-E723 WeakPolarHBondContact CG-OE2 3.19Å; N720-E723 PolarHBondContact O-N 2.93Å; N720-E723 VanDerWaalsContact O-N 3.15Å; N720-E723 PolarHBondContact OD1-N 2.68Å; E723-D726 PolarHBondContact O-N 2.89Å; E723-K727 WeakPolarHBondContact O-CG 3.3Å; E723-K727 PolarHBondContact O-N 3.08Å; E723-K727 VanDerWaalsContact O-N 3.07Å; E723-K727 WeakPolarHBondContact OE1-CE 3.36Å; E723-K727 IonicContact OE1-NZ 3.71Å; E723-K727 PolarHBondContact OE1-NZ 3.28Å
724V97Very high92.4Very high0 Ų062.5 Ų62.50%034%0.338CS..Hα-helixtrans-66.5-39174178.20000111.4V677 A710 M719 N720 A722 D726 K727 L728 I740V677-V724 HydrophobicContact CB-CG1 4.46Å; V677-V724 HydrophobicContact CG1-CG1 4.28Å; A710-V724 HydrophobicContact CB-CB 4.35Å; A710-V724 HydrophobicContact CB-CG1 4.4Å; A710-V724 HydrophobicContact CB-CG2 4.1Å; M719-V724 HydrophobicContact CB-CG2 3.58Å; N720-V724 WeakPolarHBondContact O-CG2 3.4Å; N720-V724 PolarHBondContact O-N 3.21Å; A722-V724 VanDerWaalsContact C-N 3.32Å; A722-V724 PolarHBondContact O-N 3.28Å; V724-D726 VanDerWaalsContact C-N 3.33Å; V724-D726 PolarHBondContact O-N 3.17Å; V724-K727 PolarHBondContact O-N 2.85Å; V724-L728 HydrophobicContact CG1-CD1 3.64Å; V724-L728 HydrophobicContact CG1-CG 4.08Å; V724-L728 WeakPolarHBondContact O-CB 3.3Å; V724-L728 VanDerWaalsContact O-CG 3.3Å; V724-L728 WeakPolarHBondContact O-CG 3.28Å; V724-L728 PolarHBondContact O-N 3.13Å; V724-I740 HydrophobicContact CB-CD1 3.89Å; V724-I740 HydrophobicContact CG1-CD1 3.7Å
725T96Very high92Very high20 Ų2066 Ų6612%0.12336%0.357CS..Hα-helixtrans-57.8-45.4176.1-59.70000111.6A721 A722 G729 L730 W738 I740A721-T725 WeakPolarHBondContact O-CB 3.47Å; A721-T725 PolarHBondContact O-N 3.25Å; A721-T725 PolarHBondContact O-OG1 3.28Å; A722-T725 VanDerWaalsContact O-CB 3.28Å; A722-T725 WeakPolarHBondContact O-CB 3.25Å; A722-T725 PolarHBondContact O-N 3.08Å; A722-T725 VanDerWaalsContact O-N 3.09Å; T725-G729 PolarHBondContact O-N 3.4Å; T725-G729 VanDerWaalsContact O-N 3.12Å; T725-L730 HydrophobicContact CG2-CB 4.04Å; T725-L730 HydrophobicContact CG2-CD1 4.35Å; T725-L730 HydrophobicContact CG2-CG 4.49Å; T725-L730 PolarHBondContact O-N 3.43Å; T725-W738 HydrophobicContact CG2-CH2 3.69Å; T725-W738 HydrophobicContact CG2-CZ3 4.11Å; T725-I740 WeakPolarHBondContact OG1-CG2 3.43Å
726D94.5Very high91.8Very high107 Ų10764.6 Ų64.657%0.57235%0.347SS*.Hα-helixtrans-70.1-45.4-179.1-71-25.8000111.9A722 E723 V724 L728 G729A722-D726 PolarHBondContact O-N 3.19Å; E723-D726 PolarHBondContact O-N 2.89Å; V724-D726 VanDerWaalsContact C-N 3.33Å; V724-D726 PolarHBondContact O-N 3.17Å; D726-L728 PolarHBondContact O-N 3.33Å; D726-G729 PolarHBondContact O-N 2.84Å
727K95.8Very high92.2Very high67 Ų6760.6 Ų60.629%0.29132%0.322SS..Hα-helixtrans-68.3-33.1-179.8-70-170.7-168.4168.80113.9V685 R689 M719 E723 V724 G729V685-K727 HydrophobicContact CG1-CB 4.42Å; V685-K727 HydrophobicContact CG1-CD 3.61Å; V685-K727 HydrophobicContact CG2-CB 3.9Å; V685-K727 HydrophobicContact CG2-CD 4.19Å; R689-K727 WeakPolarHBondContact CD-O 3.44Å; M719-K727 HydrophobicContact SD-CD 3.75Å; M719-K727 PolarHBondContact SD-NZ 3.1Å; E723-K727 WeakPolarHBondContact O-CG 3.3Å; E723-K727 PolarHBondContact O-N 3.08Å; E723-K727 VanDerWaalsContact O-N 3.07Å; E723-K727 WeakPolarHBondContact OE1-CE 3.36Å; E723-K727 IonicContact OE1-NZ 3.71Å; E723-K727 PolarHBondContact OE1-NZ 3.28Å; V724-K727 PolarHBondContact O-N 2.85Å; K727-G729 VanDerWaalsContact C-N 3.27Å
728L95.7Very high92.4Very high6 Ų659 Ų593%0.03131%0.308CS..THydrogen-bonded Turntrans-78.9-10.2171.3-64.9178.2000112.9F675 V677 A688 R689 L692 V708 V724 D726 L730F675-L728 HydrophobicContact CE1-CD2 4.34Å; V677-L728 HydrophobicContact CG2-CD1 4.03Å; V677-L728 HydrophobicContact CG2-CD2 4.39Å; A688-L728 HydrophobicContact CB-CD2 4.34Å; R689-L728 HydrophobicContact CB-CD2 4.12Å; L692-L728 HydrophobicContact CD2-CB 4.49Å; L692-L728 HydrophobicContact CD2-CD1 4.3Å; L692-L728 HydrophobicContact CD2-CD2 4.5Å; V708-L728 HydrophobicContact CG1-CD1 3.8Å; V724-L728 HydrophobicContact CG1-CD1 3.64Å; V724-L728 HydrophobicContact CG1-CG 4.08Å; V724-L728 WeakPolarHBondContact O-CB 3.3Å; V724-L728 VanDerWaalsContact O-CG 3.3Å; V724-L728 WeakPolarHBondContact O-CG 3.28Å; V724-L728 PolarHBondContact O-N 3.13Å; D726-L728 PolarHBondContact O-N 3.33Å; L728-L730 VanDerWaalsContact C-N 3.31Å; L728-L730 HydrophobicContact CB-CD2 3.78Å; L728-L730 HydrophobicContact CB-CG 3.87Å; L728-L730 HydrophobicContact CD1-CD1 4.38Å; L728-L730 HydrophobicContact CD1-CD2 4.2Å; L728-L730 HydrophobicContact CD1-CG 4.42Å; L728-L730 PolarHBondContact O-N 3.44Å
729G93.2Very high92.6Very high14 Ų1462 Ų6214%0.14432%0.315CS..THydrogen-bonded Turntrans65.328-178.700000114.2T725 D726 K727 H731 T732T725-G729 PolarHBondContact O-N 3.4Å; T725-G729 VanDerWaalsContact O-N 3.12Å; D726-G729 PolarHBondContact O-N 2.84Å; K727-G729 VanDerWaalsContact C-N 3.27Å; G729-H731 PolarHBondContact O-N 3.05Å; G729-H731 VanDerWaalsContact O-N 3.1Å; G729-T732 WeakPolarHBondContact O-CB 3.36Å; G729-T732 WeakPolarHBondContact O-CG2 3.23Å; G729-T732 PolarHBondContact O-N 3.43Å; G729-T732 PolarHBondContact O-OG1 2.97Å
730L92.8Very high92.6Very high1 Ų163 Ų631%0.00532%0.32CS..G310 helixtrans-60.5-27.1-172.2-55.9-179.3000112.9L692 L706 V708 T725 L728 T732 L733 W738 I740L692-L730 HydrophobicContact CD2-CD2 3.79Å; L706-L730 HydrophobicContact CD2-CD2 4.36Å; V708-L730 HydrophobicContact CB-CD1 4.41Å; V708-L730 HydrophobicContact CG2-CD1 3.9Å; V708-L730 HydrophobicContact CG2-CD2 4.25Å; T725-L730 HydrophobicContact CG2-CB 4.04Å; T725-L730 HydrophobicContact CG2-CD1 4.35Å; T725-L730 HydrophobicContact CG2-CG 4.49Å; T725-L730 PolarHBondContact O-N 3.43Å; L728-L730 VanDerWaalsContact C-N 3.31Å; L728-L730 HydrophobicContact CB-CD2 3.78Å; L728-L730 HydrophobicContact CB-CG 3.87Å; L728-L730 HydrophobicContact CD1-CD1 4.38Å; L728-L730 HydrophobicContact CD1-CD2 4.2Å; L728-L730 HydrophobicContact CD1-CG 4.42Å; L728-L730 PolarHBondContact O-N 3.44Å; L730-T732 PolarHBondContact O-N 2.55Å; L730-T732 VanDerWaalsContact O-N 3.08Å; L730-L733 HydrophobicContact CD2-CD1 4.06Å; L730-L733 WeakPolarHBondContact O-CB 3.5Å; L730-L733 PolarHBondContact O-N 2.69Å; L730-W738 HydrophobicContact CB-CD2 4.06Å; L730-W738 HydrophobicContact CB-CE3 3.98Å; L730-W738 HydrophobicContact CB-CH2 3.85Å; L730-W738 HydrophobicContact CB-CZ2 3.9Å; L730-W738 HydrophobicContact CB-CZ3 3.88Å; L730-W738 HydrophobicContact CD1-CE3 3.83Å; L730-W738 HydrophobicContact CD1-CZ3 3.79Å; L730-W738 PolarHBondContact O-NE1 3.01Å; L730-I740 HydrophobicContact CD1-CB 4.42Å; L730-I740 HydrophobicContact CD1-CD1 4.15Å
731H89.5Confident92.7Very high110 Ų11060.3 Ų60.351%0.50931%0.305SS..G310 helixtrans-58.3-18.3173.761-105.3000114G729 L733G729-H731 PolarHBondContact O-N 3.05Å; G729-H731 VanDerWaalsContact O-N 3.1Å; H731-L733 VanDerWaalsContact C-N 3.35Å
732T89.2Confident92.8Very high91 Ų9160.9 Ų60.956%0.55831%0.31SS*.G310 helixtrans-76.9-20.3174.765.30000113.1G729 L730 R734G729-T732 WeakPolarHBondContact O-CB 3.36Å; G729-T732 WeakPolarHBondContact O-CG2 3.23Å; G729-T732 PolarHBondContact O-N 3.43Å; G729-T732 PolarHBondContact O-OG1 2.97Å; L730-T732 PolarHBondContact O-N 2.55Å; L730-T732 VanDerWaalsContact O-N 3.08Å; T732-R734 VanDerWaalsContact C-N 3.33Å; T732-R734 PolarHBondContact O-N 2.66Å
733L88.2Confident93Very high40 Ų4058.1 Ų58.121%0.20929%0.287CS..  trans-79.172.3-175.8-57.9176.6000111.7L696 L706 L730 H731 W738L696-L733 HydrophobicContact CD1-CD1 3.78Å; L696-L733 HydrophobicContact CD1-CD2 3.9Å; L706-L733 HydrophobicContact CD2-CD1 3.72Å; L730-L733 HydrophobicContact CD2-CD1 4.06Å; L730-L733 WeakPolarHBondContact O-CB 3.5Å; L730-L733 PolarHBondContact O-N 2.69Å; H731-L733 VanDerWaalsContact C-N 3.35Å; L733-W738 PolarHBondContact O-NE1 2.9Å
734R81.9Confident92.8Very high220 Ų22055.9 Ų55.983%0.8328%0.277SS*.THydrogen-bonded Turntrans-73.8-30.4-177.5-66.6-171.4-178.9-88.3-0.9114.9T732T732-R734 VanDerWaalsContact C-N 3.33Å; T732-R734 PolarHBondContact O-N 2.66Å
735N83.5Confident92.5Very high168 Ų16856.1 Ų56.190%0.89828%0.279SS*.THydrogen-bonded Turntrans-99.115.2-173.3-65.9-0.6000113.6
736R88.5Confident92Very high27 Ų2757.8 Ų57.810%0.10229%0.289CS..SBendtrans-136.4130.6-175.7-174.6-177.4-67.6-100.19.5110.3L696 L701 R702 A704 W738L696-R736 PolarHBondContact O-NH2 3.1Å; L701-R736 VanDerWaalsContact O-CZ 3.26Å; L701-R736 PolarHBondContact O-NH1 3.05Å; L701-R736 PolarHBondContact O-NH2 3.12Å; R702-R736 PolarHBondContact O-NH2 3.03Å; A704-R736 PolarHBondContact O-NH1 3.05Å; R736-W738 PolarHBondContact O-N 3.4Å
737S91Very high91.5Very high41 Ų4155 Ų5529%0.28728%0.278SS..  trans-65.3115.5169-480000109L706 R765L706-S737 PolarHBondContact N-O 3.5Å; S737-R765 PolarHBondContact OG-NH2 3.03Å
738W95.3Very high91Very high79 Ų7952.1 Ų52.130%0.29927%0.267SS..EExtended strand (participates in β ladder)trans-132.6154.9175.667.5-94.2000112.5L706 T725 L730 L733 R736 I740 W757L706-W738 HydrophobicContact CB-CB 3.94Å; L706-W738 HydrophobicContact CD2-CB 4.1Å; L706-W738 HydrophobicContact CG-CB 4.2Å; L706-W738 CarbonylContact O-C 3.54Å; L706-W738 WeakPolarHBondContact O-CA 3.46Å; T725-W738 HydrophobicContact CG2-CH2 3.69Å; T725-W738 HydrophobicContact CG2-CZ3 4.11Å; L730-W738 HydrophobicContact CB-CD2 4.06Å; L730-W738 HydrophobicContact CB-CE3 3.98Å; L730-W738 HydrophobicContact CB-CH2 3.85Å; L730-W738 HydrophobicContact CB-CZ2 3.9Å; L730-W738 HydrophobicContact CB-CZ3 3.88Å; L730-W738 HydrophobicContact CD1-CE3 3.83Å; L730-W738 HydrophobicContact CD1-CZ3 3.79Å; L730-W738 PolarHBondContact O-NE1 3.01Å; L733-W738 PolarHBondContact O-NE1 2.9Å; R736-W738 PolarHBondContact O-N 3.4Å; W738-I740 HydrophobicContact CZ3-CG2 4.22Å; W738-W757 VanDerWaalsContact C-CH2 3.48Å
739Y96.1Very high90.8Very high84 Ų8456.8 Ų56.833%0.32929%0.292SS..EExtended strand (participates in β ladder)trans-146.6152.5172.8179.4-122.7000110.1L706 L707 V708 Q741 W757L706-Y739 PolarHBondContact O-N 2.81Å; L707-Y739 CarbonylContact C-O 3.56Å; L707-Y739 HydrophobicContact CD1-CD1 3.8Å; V708-Y739 PolarHBondContact N-O 3.04Å; Y739-Q741 HydrophobicContact CD1-CB 4.48Å; Y739-Q741 HydrophobicContact CE1-CB 4.03Å; Y739-Q741 PolarHBondContact OH-OE1 3.48Å; Y739-Q741 VanDerWaalsContact OH-OE1 3.08Å; Y739-W757 VanDerWaalsContact CB-CD2 3.41Å; Y739-W757 HydrophobicContact CD1-CB 3.85Å; Y739-W757 AromaticContact CD1-CD2 3.74Å; Y739-W757 HydrophobicContact CD1-CD2 3.74Å; Y739-W757 HydrophobicContact CD1-CE3 4.06Å; Y739-W757 AromaticContact CD1-CG 3.6Å; Y739-W757 HydrophobicContact CD1-CG 3.6Å; Y739-W757 HydrophobicContact CE1-CB 4.06Å; Y739-W757 HydrophobicContact CE1-CG 4.15Å; Y739-W757 AromaticContact CG-CD2 3.78Å; Y739-W757 HydrophobicContact CG-CD2 3.78Å; Y739-W757 AromaticContact CG-CE2 3.91Å; Y739-W757 HydrophobicContact CG-CE3 4.21Å; Y739-W757 AromaticContact CG-CG 3.93Å; Y739-W757 HydrophobicContact CG-CG 3.93Å; Y739-W757 HydrophobicContact CG-CZ2 4.44Å
740I97.2Very high90.7Very high21 Ų2156.4 Ų56.411%0.10829%0.288CS..EExtended strand (participates in β ladder)trans-123.9135.2175.4-172.3159.7000109.4V708 A710 A721 V724 T725 L730 W738V708-I740 HydrophobicContact CB-CB 4.19Å; V708-I740 HydrophobicContact CB-CD1 4.2Å; V708-I740 HydrophobicContact CB-CG1 3.97Å; V708-I740 HydrophobicContact CG1-CD1 3.84Å; V708-I740 HydrophobicContact CG1-CG1 4.03Å; V708-I740 WeakPolarHBondContact O-CA 3.38Å; A710-I740 HydrophobicContact CB-CD1 4.31Å; A710-I740 HydrophobicContact CB-CG1 4.32Å; A721-I740 HydrophobicContact CB-CG1 4.27Å; A721-I740 HydrophobicContact CB-CG2 4.32Å; A721-I740 WeakPolarHBondContact O-CD1 3.27Å; V724-I740 HydrophobicContact CB-CD1 3.89Å; V724-I740 HydrophobicContact CG1-CD1 3.7Å; T725-I740 WeakPolarHBondContact OG1-CG2 3.43Å; L730-I740 HydrophobicContact CD1-CB 4.42Å; L730-I740 HydrophobicContact CD1-CD1 4.15Å; W738-I740 HydrophobicContact CZ3-CG2 4.22Å
741Q97.6Very high90.6Very high30 Ų3056.3 Ų56.314%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-127.4126.3-178.7-179.355.260.100109.1L707 V708 F709 A710 Y739 T743 G750L707-Q741 HydrophobicContact CD1-CB 4.49Å; V708-Q741 PolarHBondContact O-N 3.43Å; F709-Q741 HydrophobicContact CD1-CB 4.1Å; F709-Q741 HydrophobicContact CD1-CG 4.45Å; F709-Q741 HydrophobicContact CE1-CB 4.28Å; F709-Q741 HydrophobicContact CE1-CG 4.34Å; A710-Q741 PolarHBondContact N-O 3.17Å; Y739-Q741 HydrophobicContact CD1-CB 4.48Å; Y739-Q741 HydrophobicContact CE1-CB 4.03Å; Y739-Q741 PolarHBondContact OH-OE1 3.48Å; Y739-Q741 VanDerWaalsContact OH-OE1 3.08Å; Q741-T743 HydrophobicContact CB-CG2 4.41Å; Q741-T743 HydrophobicContact CG-CG2 3.85Å; Q741-G750 WeakPolarHBondContact CG-O 3.47Å
742A97.2Very high90.6Very high38 Ų3855.5 Ų55.531%0.31428%0.281SS..EExtended strand (participates in β ladder)trans-68.2129.9169.400000108.4Q713 A721Q713-A742 HydrophobicContact CG-CB 4.04Å; A721-A742 HydrophobicContact CB-CB 4.44Å
743T96.5Very high90.6Very high2 Ų256.2 Ų56.21%0.01228%0.278CS..  trans-142.5154.9-171.850.80000114.2F709 A710 N711 K712 Q713 Q741 D749 L751F709-T743 HydrophobicContact CB-CG2 4.41Å; F709-T743 HydrophobicContact CD1-CG2 3.31Å; F709-T743 HydrophobicContact CE1-CG2 3.67Å; F709-T743 HydrophobicContact CG-CG2 4.06Å; A710-T743 PolarHBondContact O-N 3.05Å; A710-T743 PolarHBondContact O-OG1 2.96Å; N711-T743 CarbonylContact C-O 3.58Å; N711-T743 WeakPolarHBondContact CA-O 3.49Å; N711-T743 VanDerWaalsContact CA-OG1 3.3Å; N711-T743 WeakPolarHBondContact CA-OG1 3.3Å; K712-T743 PolarHBondContact N-O 3.17Å; K712-T743 VanDerWaalsContact N-O 3.13Å; Q713-T743 VanDerWaalsContact CG-O 3.3Å; Q713-T743 WeakPolarHBondContact CG-O 3.22Å; Q713-T743 PolarHBondContact N-O 2.66Å; Q741-T743 HydrophobicContact CB-CG2 4.41Å; Q741-T743 HydrophobicContact CG-CG2 3.85Å; T743-D749 VanDerWaalsContact CA-O 3.28Å; T743-D749 WeakPolarHBondContact CA-O 3.37Å; T743-L751 HydrophobicContact CG2-CD2 3.99Å
744C93.3Very high90.8Very high8 Ų854.3 Ų54.35%0.05427%0.268CS..  trans-131.1104168.6-1800000109T746 S747 G748 D749C744-T746 PolarHBondContact O-N 3.07Å; C744-T746 PolarHBondContact SG-OG1 3.03Å; C744-S747 VanDerWaalsContact CB-OG 3.27Å; C744-S747 WeakPolarHBondContact CB-OG 3.33Å; C744-S747 PolarHBondContact O-OG 3.09Å; C744-S747 PolarHBondContact SG-OG 3.46Å; C744-S747 VanDerWaalsContact SG-OG 3.34Å; C744-G748 WeakPolarHBondContact O-CA 3.22Å; C744-G748 PolarHBondContact O-N 3.45Å; C744-D749 PolarHBondContact N-O 3.42Å; C744-D749 PolarHBondContact O-N 3.33Å
745A89.3Confident91.2Very high4 Ų443.9 Ų43.93%0.03323%0.229CC..THydrogen-bonded Turntrans-61.6-24.3-175.500000114.2T617 I618 N711T617-A745 HydrophobicContact CG2-CB 3.93Å; I618-A745 HydrophobicContact CD1-CB 4.38Å; I618-A745 HydrophobicContact CG1-CB 3.46Å; I618-A745 VanDerWaalsContact CG1-CB 3.46Å; N711-A745 WeakPolarHBondContact OD1-CB 3.42Å; N711-A745 PolarHBondContact OD1-N 3.19Å
746T85.8Confident91.4Very high56 Ų5638.3 Ų38.334%0.34420%0.198SC..THydrogen-bonded Turntrans-78.1-58.617852.80000110.6T617 K621 I627 C744 G748T617-T746 HydrophobicContact CG2-CG2 4.19Å; K621-T746 WeakPolarHBondContact CE-O 3.38Å; K621-T746 PolarHBondContact NZ-O 3.37Å; I627-T746 WeakPolarHBondContact CD1-O 3.35Å; I627-T746 WeakPolarHBondContact CG1-O 3.49Å; C744-T746 PolarHBondContact O-N 3.07Å; C744-T746 PolarHBondContact SG-OG1 3.03Å; T746-G748 VanDerWaalsContact C-N 3.31Å; T746-G748 PolarHBondContact O-N 2.84Å
747S84.8Confident91.5Very high49 Ų4939.5 Ų39.534%0.34320%0.203SC..THydrogen-bonded Turntrans-64.1-36.8177.559.80000112.4K621 C744 D749K621-S747 WeakPolarHBondContact CE-O 3.09Å; K621-S747 PolarHBondContact NZ-O 3.49Å; C744-S747 VanDerWaalsContact CB-OG 3.27Å; C744-S747 WeakPolarHBondContact CB-OG 3.33Å; C744-S747 PolarHBondContact O-OG 3.09Å; C744-S747 PolarHBondContact SG-OG 3.46Å; C744-S747 VanDerWaalsContact SG-OG 3.34Å; S747-D749 WeakPolarHBondContact CB-OD2 3.45Å; S747-D749 PolarHBondContact OG-N 3.43Å; S747-D749 PolarHBondContact OG-OD2 3.03Å
748G85.4Confident91.5Very high6 Ų637.5 Ų37.56%0.06219%0.189CC..  trans101.9-2.8-173.500000113.7C744 T746 L751C744-G748 WeakPolarHBondContact O-CA 3.22Å; C744-G748 PolarHBondContact O-N 3.45Å; T746-G748 VanDerWaalsContact C-N 3.31Å; T746-G748 PolarHBondContact O-N 2.84Å; G748-L751 WeakPolarHBondContact O-CB 3.17Å; G748-L751 WeakPolarHBondContact O-CG 3.5Å; G748-L751 PolarHBondContact O-N 3.48Å
749D90.2Very high90.8Very high104 Ų10434 Ų3456%0.55618%0.176SC*.THydrogen-bonded Turntrans-62.9136.3-173.8-54.5-37.4000111.5T743 C744 S747 L751T743-D749 VanDerWaalsContact CA-O 3.28Å; T743-D749 WeakPolarHBondContact CA-O 3.37Å; C744-D749 PolarHBondContact N-O 3.42Å; C744-D749 PolarHBondContact O-N 3.33Å; S747-D749 WeakPolarHBondContact CB-OD2 3.45Å; S747-D749 PolarHBondContact OG-N 3.43Å; S747-D749 PolarHBondContact OG-OD2 3.03Å; D749-L751 PolarHBondContact O-N 3.48Å; D749-L751 VanDerWaalsContact O-N 3.13Å
750G92.2Very high90.3Very high5 Ų533.7 Ų33.75%0.05218%0.181CC..THydrogen-bonded Turntrans74.3-13.8-179.600000115.2Q741 E753 G754Q741-G750 WeakPolarHBondContact CG-O 3.47Å; G750-E753 WeakPolarHBondContact CA-OE2 3.28Å; G750-E753 PolarHBondContact N-OE2 3.19Å; G750-G754 PolarHBondContact O-N 3.05Å
751L90.9Very high89.8Confident0 Ų035.2 Ų35.20%019%0.187CC..Hα-helixtrans-63.1-47.8-177.3-63.8-176.6000110.8I618 K621 F709 T743 G748 D749 L755I618-L751 HydrophobicContact CD1-CD2 3.99Å; I618-L751 HydrophobicContact CG1-CD2 3.86Å; I618-L751 HydrophobicContact CG2-CD1 4.3Å; I618-L751 HydrophobicContact CG2-CD2 4.01Å; K621-L751 HydrophobicContact CB-CD1 4.34Å; K621-L751 HydrophobicContact CG-CD1 4Å; F709-L751 HydrophobicContact CE1-CD2 4.49Å; F709-L751 HydrophobicContact CE2-CD2 4.29Å; F709-L751 HydrophobicContact CZ-CD2 4.23Å; T743-L751 HydrophobicContact CG2-CD2 3.99Å; G748-L751 WeakPolarHBondContact O-CB 3.17Å; G748-L751 WeakPolarHBondContact O-CG 3.5Å; G748-L751 PolarHBondContact O-N 3.48Å; D749-L751 PolarHBondContact O-N 3.48Å; D749-L751 VanDerWaalsContact O-N 3.13Å; L751-L755 VanDerWaalsContact O-CG 3.25Å; L751-L755 WeakPolarHBondContact O-CG 3.32Å; L751-L755 PolarHBondContact O-N 2.89Å; L751-L755 VanDerWaalsContact O-N 3.08Å
752Y88.4Confident89.2Confident92 Ų9234.4 Ų34.436%0.36118%0.184SC..Hα-helixtrans-70.8-35-175.4-60.9-62.2000112.2L622 Y643 L755 D756L622-Y752 HydrophobicContact CD2-CD1 4.3Å; L622-Y752 HydrophobicContact CD2-CE1 3.78Å; Y643-Y752 HydrophobicContact CD2-CD1 4.43Å; Y643-Y752 HydrophobicContact CD2-CE1 4.35Å; Y643-Y752 AromaticContact CE2-CD1 3.48Å; Y643-Y752 HydrophobicContact CE2-CD1 3.48Å; Y643-Y752 VanDerWaalsContact CE2-CD1 3.48Å; Y643-Y752 AromaticContact CE2-CE1 3.67Å; Y643-Y752 HydrophobicContact CE2-CE1 3.67Å; Y643-Y752 AromaticContact CZ-CD1 3.71Å; Y643-Y752 WeakPolarHBondContact OH-CD1 3.42Å; Y752-L755 PolarHBondContact O-N 3.39Å; Y752-D756 WeakPolarHBondContact O-CB 3.23Å; Y752-D756 PolarHBondContact O-N 2.74Å
753E90.4Very high88.2Confident107 Ų10738.1 Ų38.150%0.519%0.193SC..Hα-helixtrans-63.4-45.7177.3-6389.6149.200111.2G750 D756 W757G750-E753 WeakPolarHBondContact CA-OE2 3.28Å; G750-E753 PolarHBondContact N-OE2 3.19Å; E753-D756 PolarHBondContact O-N 2.66Å; E753-W757 PolarHBondContact O-N 3.19Å
754G92.5Very high87Confident0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-66.4-40.8174.500000112.8L707 G750 D756 W757 L758L707-G754 WeakPolarHBondContact CD2-O 3.45Å; G750-G754 PolarHBondContact O-N 3.05Å; G754-D756 VanDerWaalsContact C-N 3.33Å; G754-D756 PolarHBondContact O-N 3.15Å; G754-W757 PolarHBondContact O-N 2.92Å; G754-L758 WeakPolarHBondContact O-CB 3.49Å; G754-L758 PolarHBondContact O-N 3.08Å
755L89Confident85.6Confident1 Ų148.6 Ų48.61%0.00524%0.241CC..Hα-helixtrans-64.8-35.1175.4-70.9-177000112.8L622 Y643 F648 I674 F709 L751 Y752 L758 S759L622-L755 HydrophobicContact CD1-CD1 3.88Å; L622-L755 HydrophobicContact CD2-CD1 3.65Å; L622-L755 HydrophobicContact CG-CD1 4.45Å; Y643-L755 HydrophobicContact CD1-CB 4.23Å; Y643-L755 HydrophobicContact CD1-CD1 3.96Å; Y643-L755 HydrophobicContact CE1-CB 3.92Å; Y643-L755 HydrophobicContact CE1-CD1 4.16Å; Y643-L755 HydrophobicContact CG-CD1 4.19Å; F648-L755 HydrophobicContact CD1-CD2 4.21Å; F648-L755 HydrophobicContact CE1-CD2 3.37Å; F648-L755 HydrophobicContact CZ-CD2 3.72Å; I674-L755 HydrophobicContact CD1-CD2 3.8Å; F709-L755 HydrophobicContact CZ-CD2 4.41Å; F709-L755 HydrophobicContact CZ-CG 4.33Å; L751-L755 VanDerWaalsContact O-CG 3.25Å; L751-L755 WeakPolarHBondContact O-CG 3.32Å; L751-L755 PolarHBondContact O-N 2.89Å; L751-L755 VanDerWaalsContact O-N 3.08Å; Y752-L755 PolarHBondContact O-N 3.39Å; L755-L758 PolarHBondContact O-N 3.26Å; L755-S759 VanDerWaalsContact O-CB 3.23Å; L755-S759 WeakPolarHBondContact O-CB 3.34Å; L755-S759 PolarHBondContact O-N 2.98Å
756D87.2Confident83.5Confident50 Ų5056.8 Ų56.827%0.26728%0.284SS..Hα-helixtrans-74.6-37178.1-84.9-1.8000112.6K644 Y752 E753 G754 L758 N760K644-D756 IonicContact NZ-OD1 2.66Å; K644-D756 PolarHBondContact NZ-OD1 2.83Å; K644-D756 IonicContact NZ-OD2 2.74Å; K644-D756 PolarHBondContact NZ-OD2 3.35Å; Y752-D756 WeakPolarHBondContact O-CB 3.23Å; Y752-D756 PolarHBondContact O-N 2.74Å; E753-D756 PolarHBondContact O-N 2.66Å; G754-D756 VanDerWaalsContact C-N 3.33Å; G754-D756 PolarHBondContact O-N 3.15Å; D756-L758 VanDerWaalsContact C-N 3.35Å; D756-N760 WeakPolarHBondContact O-CB 3.33Å; D756-N760 PolarHBondContact O-N 3.08Å; D756-N760 PolarHBondContact O-ND2 3.4Å; D756-N760 VanDerWaalsContact O-ND2 3.16Å
757W92.3Very high83.4Confident52 Ų5256.8 Ų56.820%0.19728%0.281CS..Hα-helixtrans-57.4-49.9166.8177.391.6000111.1V705 L706 L707 W738 Y739 E753 G754 S759 N760 Q761V705-W757 HydrophobicContact CG1-CH2 3.51Å; V705-W757 HydrophobicContact CG1-CZ3 3.54Å; L706-W757 WeakPolarHBondContact O-CZ3 3.41Å; L707-W757 HydrophobicContact CB-CZ3 4.4Å; L707-W757 HydrophobicContact CD1-CE3 4.2Å; W738-W757 VanDerWaalsContact C-CH2 3.48Å; Y739-W757 VanDerWaalsContact CB-CD2 3.41Å; Y739-W757 HydrophobicContact CD1-CB 3.85Å; Y739-W757 AromaticContact CD1-CD2 3.74Å; Y739-W757 HydrophobicContact CD1-CD2 3.74Å; Y739-W757 HydrophobicContact CD1-CE3 4.06Å; Y739-W757 AromaticContact CD1-CG 3.6Å; Y739-W757 HydrophobicContact CD1-CG 3.6Å; Y739-W757 HydrophobicContact CE1-CB 4.06Å; Y739-W757 HydrophobicContact CE1-CG 4.15Å; Y739-W757 AromaticContact CG-CD2 3.78Å; Y739-W757 HydrophobicContact CG-CD2 3.78Å; Y739-W757 AromaticContact CG-CE2 3.91Å; Y739-W757 HydrophobicContact CG-CE3 4.21Å; Y739-W757 AromaticContact CG-CG 3.93Å; Y739-W757 HydrophobicContact CG-CG 3.93Å; Y739-W757 HydrophobicContact CG-CZ2 4.44Å; E753-W757 PolarHBondContact O-N 3.19Å; G754-W757 PolarHBondContact O-N 2.92Å; W757-S759 PolarHBondContact O-N 2.95Å; W757-N760 PolarHBondContact O-N 2.99Å; W757-Q761 HydrophobicContact CD2-CG 3.87Å; W757-Q761 VanDerWaalsContact CE2-CG 3.49Å; W757-Q761 HydrophobicContact CE3-CG 4.14Å; W757-Q761 HydrophobicContact CH2-CG 3.77Å; W757-Q761 HydrophobicContact CZ2-CG 3.45Å; W757-Q761 VanDerWaalsContact CZ2-CG 3.45Å; W757-Q761 HydrophobicContact CZ3-CG 4.1Å; W757-Q761 WeakPolarHBondContact O-CG 3.05Å; W757-Q761 PolarHBondContact O-N 3.22Å
758L89.3Confident83.3Confident0 Ų057.2 Ų57.20%028%0.278CS..Hα-helixtrans-62.5-43.7-178.1-177.457.7000111.5I605 I674 V705 L707 G754 L755 D756 N760 Q761 L762I605-L758 HydrophobicContact CD1-CD2 3.75Å; I605-L758 HydrophobicContact CD1-CG 4Å; I605-L758 HydrophobicContact CG2-CD2 4.12Å; I674-L758 HydrophobicContact CD1-CD2 3.83Å; I674-L758 HydrophobicContact CG1-CD2 3.62Å; V705-L758 HydrophobicContact CB-CD1 3.91Å; V705-L758 HydrophobicContact CG1-CD1 3.62Å; L707-L758 HydrophobicContact CB-CD1 4.44Å; L707-L758 HydrophobicContact CB-CD2 4.05Å; L707-L758 HydrophobicContact CD2-CB 4.26Å; L707-L758 HydrophobicContact CD2-CD2 3.96Å; G754-L758 WeakPolarHBondContact O-CB 3.49Å; G754-L758 PolarHBondContact O-N 3.08Å; L755-L758 PolarHBondContact O-N 3.26Å; D756-L758 VanDerWaalsContact C-N 3.35Å; L758-N760 VanDerWaalsContact C-N 3.34Å; L758-N760 PolarHBondContact O-N 3.5Å; L758-Q761 PolarHBondContact O-N 2.92Å; L758-L762 HydrophobicContact CD1-CD1 3.8Å; L758-L762 HydrophobicContact CD1-CG 4.29Å; L758-L762 HydrophobicContact CG-CD1 3.77Å; L758-L762 WeakPolarHBondContact O-CB 3.05Å; L758-L762 WeakPolarHBondContact O-CD1 3.43Å; L758-L762 VanDerWaalsContact O-CG 3.22Å; L758-L762 WeakPolarHBondContact O-CG 3.43Å; L758-L762 PolarHBondContact O-N 3.21Å
759S82.3Confident83.2Confident4 Ų460.1 Ų60.13%0.02829%0.29CS..Hα-helixtrans-55.9-45.2173.1177.90000112.5L755 W757 L762 K763L755-S759 VanDerWaalsContact O-CB 3.23Å; L755-S759 WeakPolarHBondContact O-CB 3.34Å; L755-S759 PolarHBondContact O-N 2.98Å; W757-S759 PolarHBondContact O-N 2.95Å; S759-L762 PolarHBondContact O-N 3.21Å; S759-K763 VanDerWaalsContact O-CG 3.32Å; S759-K763 WeakPolarHBondContact O-CG 3.43Å; S759-K763 PolarHBondContact O-N 3.1Å
760N85.2Confident82.8Confident79 Ų7957.5 Ų57.542%0.42227%0.274SS..Hα-helixtrans-71-37-179.6-68.4-24.3000112.4D756 W757 L758 L762 K763 N764D756-N760 WeakPolarHBondContact O-CB 3.33Å; D756-N760 PolarHBondContact O-N 3.08Å; D756-N760 PolarHBondContact O-ND2 3.4Å; D756-N760 VanDerWaalsContact O-ND2 3.16Å; W757-N760 PolarHBondContact O-N 2.99Å; L758-N760 VanDerWaalsContact C-N 3.34Å; L758-N760 PolarHBondContact O-N 3.5Å; N760-L762 PolarHBondContact O-N 3.49Å; N760-K763 PolarHBondContact O-N 3.45Å; N760-N764 WeakPolarHBondContact O-CB 3.42Å; N760-N764 VanDerWaalsContact O-CG 3.25Å; N760-N764 PolarHBondContact O-N 3.42Å; N760-N764 VanDerWaalsContact O-N 3.1Å; N760-N764 PolarHBondContact O-OD1 2.96Å
761Q87.1Confident82.2Confident52 Ų5260.8 Ų60.824%0.24329%0.288CS..Hα-helixtrans-63.2-39.8172.5-68.6-61.9-49.800112.7V705 W757 L758 N764 R765V705-Q761 HydrophobicContact CG1-CB 3.9Å; V705-Q761 HydrophobicContact CG1-CG 4.24Å; V705-Q761 HydrophobicContact CG2-CB 4.18Å; W757-Q761 HydrophobicContact CD2-CG 3.87Å; W757-Q761 VanDerWaalsContact CE2-CG 3.49Å; W757-Q761 HydrophobicContact CE3-CG 4.14Å; W757-Q761 HydrophobicContact CH2-CG 3.77Å; W757-Q761 HydrophobicContact CZ2-CG 3.45Å; W757-Q761 VanDerWaalsContact CZ2-CG 3.45Å; W757-Q761 HydrophobicContact CZ3-CG 4.1Å; W757-Q761 WeakPolarHBondContact O-CG 3.05Å; W757-Q761 PolarHBondContact O-N 3.22Å; L758-Q761 PolarHBondContact O-N 2.92Å; Q761-N764 PolarHBondContact O-N 3.04Å; Q761-R765 WeakPolarHBondContact O-CG 3.5Å; Q761-R765 PolarHBondContact O-N 3Å
762L83.2Confident81.6Confident13 Ų1364.8 Ų64.87%0.06831%0.307CS..Hα-helixtrans-75.5-24-179.1-67.6163.2000113V603 I605 Q671 V705 L758 S759 N760V603-L762 HydrophobicContact CG1-CB 4.27Å; V603-L762 HydrophobicContact CG1-CD1 3.86Å; V603-L762 HydrophobicContact CG1-CD2 4.03Å; V603-L762 HydrophobicContact CG1-CG 4.27Å; I605-L762 HydrophobicContact CD1-CD1 3.36Å; I605-L762 HydrophobicContact CG1-CD1 4.11Å; Q671-L762 HydrophobicContact CB-CD2 3.97Å; Q671-L762 WeakPolarHBondContact O-CD2 3.43Å; V705-L762 HydrophobicContact CB-CD2 4.34Å; V705-L762 HydrophobicContact CG2-CD2 3.88Å; V705-L762 HydrophobicContact CG2-CG 4.37Å; L758-L762 HydrophobicContact CD1-CD1 3.8Å; L758-L762 HydrophobicContact CD1-CG 4.29Å; L758-L762 HydrophobicContact CG-CD1 3.77Å; L758-L762 WeakPolarHBondContact O-CB 3.05Å; L758-L762 WeakPolarHBondContact O-CD1 3.43Å; L758-L762 VanDerWaalsContact O-CG 3.22Å; L758-L762 WeakPolarHBondContact O-CG 3.43Å; L758-L762 PolarHBondContact O-N 3.21Å; S759-L762 PolarHBondContact O-N 3.21Å; N760-L762 PolarHBondContact O-N 3.49Å
763K77.4Confident81.1Confident116 Ų11662.9 Ų62.950%0.50430%0.303SS..Hα-helixtrans-71.1-47.5167.9-73.9170.2-173.6172.40111.9S759 N760 R765S759-K763 VanDerWaalsContact O-CG 3.32Å; S759-K763 WeakPolarHBondContact O-CG 3.43Å; S759-K763 PolarHBondContact O-N 3.1Å; N760-K763 PolarHBondContact O-N 3.45Å; K763-R765 PolarHBondContact O-N 3.18Å
764N70.3Confident80.4Confident127 Ų12759.5 Ų59.568%0.67929%0.288SS*.THydrogen-bonded Turntrans-76.4-0.3-171.7-67.6-1.5000115.2N760 Q761N760-N764 WeakPolarHBondContact O-CB 3.42Å; N760-N764 VanDerWaalsContact O-CG 3.25Å; N760-N764 PolarHBondContact O-N 3.42Å; N760-N764 VanDerWaalsContact O-N 3.1Å; N760-N764 PolarHBondContact O-OD1 2.96Å; Q761-N764 PolarHBondContact O-N 3.04Å
765R65.3Low79.4Confident104 Ų10464.4 Ų64.439%0.39231%0.312SS..THydrogen-bonded Turntrans-93.91.4-179.1-83.6177.8164.6-144.5-1.4114.5D703 S737 Q761 K763D703-R765 PolarHBondContact O-NH1 3.16Å; S737-R765 PolarHBondContact OG-NH2 3.03Å; Q761-R765 WeakPolarHBondContact O-CG 3.5Å; Q761-R765 PolarHBondContact O-N 3Å; K763-R765 PolarHBondContact O-N 3.18Å
766N44.1Very low78.5Confident175 Ų17570.2 Ų70.294%0.93634%0.34SS*.  trans-1350171.1-71.786.6000109.5K601K601-N766 PolarHBondContact NZ-OD1 3.46Å

Retrieved 766 of 766 residues in 385.5 ms (Link to these results)

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