A0A2R9B9L2_PANPA Loading...

Muscleblind like splicing regulator 2

AlphaFold DB , UniProt , Accession A0A2R9B9L2, Species PANPA (Pan paniscus, Pygmy chimpanzee), Gene MBNL2, Length 385 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M39.1Very low51.8Low239 Ų239127.6 Ų127.6100%1.17772%0.715SS**  0120.90-65.5163.8-178.700107.3
2A35.8Very low54.7Low103 Ų103130.8 Ų130.885%0.85172%0.716SS**  trans-77.1123.5178.400000109.5N4A2-N4 PolarHBondContact O-N 3.35Å
3L41.5Very low57.3Low159 Ų159124.8 Ų124.883%0.83268%0.676SS**  trans-72.898.7172-70.2176.4000108.5V5L3-V5 HydrophobicContact CB-CG2 4.24Å; L3-V5 PolarHBondContact O-N 3.09Å
4N40.2Very low59.8Low148 Ų148117.1 Ų117.179%0.79163%0.634SS**  trans-69.373.5168-176.884.3000109.3A2 A6A2-N4 PolarHBondContact O-N 3.35Å; N4-A6 PolarHBondContact O-N 3.28Å
5V44.3Very low61.9Low116 Ų116112.1 Ų112.170%0.70361%0.609SS**  trans-70.383.4164.2-1760000106.2L3L3-V5 HydrophobicContact CB-CG2 4.24Å; L3-V5 PolarHBondContact O-N 3.09Å
6A37.9Very low63.8Low56 Ų56105.6 Ų105.646%0.46357%0.574SS.*  trans-52.2130.2167.600000107.4N4 V8N4-A6 PolarHBondContact O-N 3.28Å; A6-V8 PolarHBondContact O-N 3.32Å
7P51.6Low65.5Low111 Ų111103.1 Ų103.172%0.72156%0.557SS**  trans-59.7111.5-176.723.1-32.9000108.1R9P7-R9 VanDerWaalsContact C-N 3.32Å; P7-R9 PolarHBondContact O-N 3.33Å
8V57.4Low67Low124 Ų12497.6 Ų97.675%0.75253%0.528SS*.  trans-64.996.9-176.6179.20000106.8A6 D10A6-V8 PolarHBondContact O-N 3.32Å; V8-D10 PolarHBondContact O-N 3.36Å; V8-D10 VanDerWaalsContact O-N 3.1Å
9R68.6Low68.5Low215 Ų21592.7 Ų92.781%0.81150%0.501SS*.  trans-63.2116.6-179.7-61.4-175.8-175.8-175.31.6106.9P7 T11P7-R9 VanDerWaalsContact C-N 3.32Å; P7-R9 PolarHBondContact O-N 3.33Å; R9-T11 VanDerWaalsContact C-N 3.25Å; R9-T11 PolarHBondContact O-N 2.93Å
10D70.8Confident69.6Low61 Ų6197.1 Ų97.133%0.32651%0.51SS..  trans-61.182.2178.6-81.7-64.6000111.1V8 K12 W13 Q90V8-D10 PolarHBondContact O-N 3.36Å; V8-D10 VanDerWaalsContact O-N 3.1Å; D10-K12 PolarHBondContact O-N 2.94Å; D10-K12 VanDerWaalsContact O-N 3.12Å; D10-W13 PolarHBondContact O-NE1 2.58Å; D10-Q90 PolarHBondContact OD2-NE2 3.22Å
11T82.8Confident70.8Confident72 Ų7297.2 Ų97.244%0.44251%0.508SS..G310 helixtrans-65.4-13.7176.352.10000112.3R9 W13 L14 T15R9-T11 VanDerWaalsContact C-N 3.25Å; R9-T11 PolarHBondContact O-N 2.93Å; T11-W13 VanDerWaalsContact C-N 3.34Å; T11-W13 PolarHBondContact O-N 3.48Å; T11-L14 WeakPolarHBondContact O-CA 3.4Å; T11-L14 WeakPolarHBondContact O-CB 3.23Å; T11-L14 PolarHBondContact O-N 3.44Å; T11-T15 PolarHBondContact O-N 2.95Å
12K87Confident73.3Confident166 Ų16690 Ų9072%0.72247%0.471SS*.G310 helixtrans-55.2-42.3-179.4-163.9174.1-1751770112.9D10 L14 T15D10-K12 PolarHBondContact O-N 2.94Å; D10-K12 VanDerWaalsContact O-N 3.12Å; K12-L14 VanDerWaalsContact C-N 3.29Å; K12-L14 PolarHBondContact O-N 3.13Å; K12-T15 PolarHBondContact O-N 3.06Å; K12-T15 PolarHBondContact O-OG1 3.36Å
13W88.3Confident75.9Confident53 Ų5390.9 Ų90.920%0.20146%0.457CS..G310 helixtrans-75.2-17.5177.773.5-96.8000113.6D10 T11 T15 F54 L57 L79 G83 N86D10-W13 PolarHBondContact O-NE1 2.58Å; T11-W13 VanDerWaalsContact C-N 3.34Å; T11-W13 PolarHBondContact O-N 3.48Å; W13-T15 VanDerWaalsContact C-N 3.28Å; W13-F54 AromaticContact CH2-CD2 3.81Å; W13-F54 HydrophobicContact CH2-CD2 3.81Å; W13-F54 AromaticContact CH2-CE2 3.87Å; W13-F54 HydrophobicContact CH2-CE2 3.87Å; W13-F54 AromaticContact CZ2-CD2 3.91Å; W13-F54 HydrophobicContact CZ2-CD2 3.91Å; W13-F54 AromaticContact CZ2-CE2 3.85Å; W13-F54 HydrophobicContact CZ2-CE2 3.85Å; W13-L57 HydrophobicContact CH2-CD1 4.39Å; W13-L57 HydrophobicContact CZ3-CD1 4.07Å; W13-L79 WeakPolarHBondContact O-CD2 3.19Å; W13-G83 VanDerWaalsContact CD2-CA 3.45Å; W13-N86 HydrophobicContact CB-CB 3.9Å; W13-N86 HydrophobicContact CG-CB 4.21Å
14L91.6Very high78.2Confident17 Ų1793.1 Ų93.19%0.08945%0.454CS..G310 helixtrans-82.7-1.2172.5-70.8166.9000113T11 K12 I51 A52 F54 L57T11-L14 WeakPolarHBondContact O-CA 3.4Å; T11-L14 WeakPolarHBondContact O-CB 3.23Å; T11-L14 PolarHBondContact O-N 3.44Å; K12-L14 VanDerWaalsContact C-N 3.29Å; K12-L14 PolarHBondContact O-N 3.13Å; L14-I51 HydrophobicContact CB-CG2 4.22Å; L14-A52 PolarHBondContact O-N 3.4Å; L14-F54 HydrophobicContact CD1-CB 4.2Å; L14-F54 HydrophobicContact CD1-CD2 4.32Å; L14-F54 HydrophobicContact CD2-CB 4.38Å; L14-F54 HydrophobicContact CD2-CD2 4.28Å; L14-L57 HydrophobicContact CD2-CD1 3.49Å; L14-L57 VanDerWaalsContact CD2-CD1 3.49Å
15T91.1Very high80.6Confident42 Ų4289.6 Ų89.626%0.25845%0.453SS..EExtended strand (participates in β ladder)trans-82.3130.7178.5650000112.4T11 K12 W13 V50 I51T11-T15 PolarHBondContact O-N 2.95Å; K12-T15 PolarHBondContact O-N 3.06Å; K12-T15 PolarHBondContact O-OG1 3.36Å; W13-T15 VanDerWaalsContact C-N 3.28Å; T15-V50 CarbonylContact C-O 3.38Å; T15-V50 VanDerWaalsContact CA-O 3.29Å; T15-V50 WeakPolarHBondContact CA-O 3.46Å; T15-I51 HydrophobicContact CG2-CG1 4.24Å
16L92.4Very high83Confident8 Ų888.6 Ų88.64%0.04245%0.447CS..EExtended strand (participates in β ladder)trans-108.2154.3167.1-73.7175.9000110.3A37 R49 V50 L69 P71 L75 L79L16-A37 HydrophobicContact CB-CB 4.12Å; L16-A37 HydrophobicContact CD1-CB 4.33Å; L16-R49 CarbonylContact O-C 3.58Å; L16-R49 WeakPolarHBondContact O-CA 3.49Å; L16-R49 WeakPolarHBondContact O-CB 3.18Å; L16-V50 HydrophobicContact CB-CG2 4.43Å; L16-V50 PolarHBondContact N-O 3.05Å; L16-V50 PolarHBondContact O-N 3.49Å; L16-L69 HydrophobicContact CD1-CD2 4.29Å; L16-P71 HydrophobicContact CD1-CB 3.91Å; L16-L75 HydrophobicContact CD1-CB 4.05Å; L16-L75 HydrophobicContact CD1-CD1 4.3Å; L16-L75 HydrophobicContact CD2-CD2 4.43Å; L16-L79 HydrophobicContact CD1-CD1 3.74Å; L16-L79 HydrophobicContact CD1-CG 4.39Å; L16-L79 HydrophobicContact CD2-CD1 4.13Å; L16-L79 HydrophobicContact CD2-CD2 3.92Å; L16-L79 HydrophobicContact CD2-CG 3.86Å; L16-L79 HydrophobicContact CG-CD1 3.84Å; L16-L79 HydrophobicContact CG-CD2 4.02Å; L16-L79 HydrophobicContact CG-CG 4.07Å
17E92.8Very high85.5Confident63 Ų6387.2 Ų87.229%0.29443%0.434SS..EExtended strand (participates in β ladder)trans-91135.2173.4-160.9163.513800110.5F36 A37 R49E17-F36 HydrophobicContact CB-CD1 4.17Å; E17-A37 PolarHBondContact O-N 3.3Å; E17-R49 IonicContact OE2-CZ 3.84Å; E17-R49 IonicContact OE2-NH1 3.17Å; E17-R49 PolarHBondContact OE2-NH1 3.37Å; E17-R49 IonicContact OE2-NH2 3.75Å; E17-R49 PolarHBondContact OE2-NH2 2.87Å
18V93.7Very high87.4Confident4 Ų487.9 Ų87.92%0.02444%0.441CS..BIsolated β-bridgetrans-73.9143.9-179.5176.70000110.6R20 Q23 P39 V45 G48 V50V18-R20 PolarHBondContact O-N 3.39Å; V18-Q23 HydrophobicContact CG1-CB 4.27Å; V18-P39 HydrophobicContact CG1-CG 4.13Å; V18-P39 HydrophobicContact CG2-CG 3.96Å; V18-V45 HydrophobicContact CG2-CG1 3.8Å; V18-V45 HydrophobicContact CG2-CG2 4.44Å; V18-G48 WeakPolarHBondContact CB-O 3.33Å; V18-G48 PolarHBondContact N-O 3.47Å; V18-V50 HydrophobicContact CG2-CG1 3.32Å
19C93.9Very high89.1Confident4 Ų488.7 Ų88.73%0.02743%0.431CS..  trans-63.5111.5171.8-177.20000110.8Q21 F22 Q23 C27 C34 F36 A37 H38C19-Q21 PolarHBondContact O-N 3.39Å; C19-Q21 VanDerWaalsContact O-N 3.14Å; C19-F22 HydrophobicContact CB-CB 3.71Å; C19-F22 WeakPolarHBondContact O-CB 3.46Å; C19-F22 PolarHBondContact O-N 3.06Å; C19-Q23 PolarHBondContact O-N 2.8Å; C19-C27 VanDerWaalsContact SG-SG 3.63Å; C19-C34 VanDerWaalsContact SG-SG 3.66Å; C19-F36 VanDerWaalsContact CA-CB 3.47Å; C19-F36 HydrophobicContact CB-CB 3.7Å; C19-A37 PolarHBondContact N-O 3.15Å; C19-H38 WeakPolarHBondContact CB-CD2 3.39Å; C19-H38 VanDerWaalsContact CB-NE2 3.33Å; C19-H38 WeakPolarHBondContact CB-NE2 3.22Å
20R91.8Very high90Very high180 Ų18080.8 Ų80.868%0.67941%0.408SS*.THydrogen-bonded Turntrans-60.9-21.3178.5-69.3-175.8176.8-160.7-3.1114V18 R24V18-R20 PolarHBondContact O-N 3.39Å; R20-R24 WeakPolarHBondContact O-CD 3.05Å; R20-R24 VanDerWaalsContact O-CG 3.3Å; R20-R24 WeakPolarHBondContact O-CG 3.29Å
21Q93.6Very high90.8Very high100 Ų10079.9 Ų79.947%0.46740%0.403SS..THydrogen-bonded Turntrans-79.4-42.2172.1-67.2175.3-24.900111.1C19 Q23 R24 G25 T26 C27C19-Q21 PolarHBondContact O-N 3.39Å; C19-Q21 VanDerWaalsContact O-N 3.14Å; Q21-Q23 VanDerWaalsContact C-N 3.35Å; Q21-Q23 PolarHBondContact O-N 3.45Å; Q21-R24 CarbonylContact O-C 3.57Å; Q21-R24 WeakPolarHBondContact O-CA 3.26Å; Q21-R24 WeakPolarHBondContact O-CB 3.46Å; Q21-R24 PolarHBondContact O-N 3.25Å; Q21-G25 PolarHBondContact O-N 3.15Å; Q21-T26 PolarHBondContact O-N 3.2Å; Q21-T26 PolarHBondContact O-OG1 2.78Å; Q21-C27 HydrophobicContact CB-CB 3.65Å; Q21-C27 PolarHBondContact O-N 2.98Å
22F92.4Very high91.1Very high89 Ų8982.8 Ų82.839%0.3941%0.412SS..G310 helixtrans-63-42.5176.9-178.9-100.7000111.3C19 R24 G25 C27 H38C19-F22 HydrophobicContact CB-CB 3.71Å; C19-F22 WeakPolarHBondContact O-CB 3.46Å; C19-F22 PolarHBondContact O-N 3.06Å; F22-R24 PolarHBondContact O-N 3.27Å; F22-G25 PolarHBondContact O-N 3.34Å; F22-C27 HydrophobicContact CB-CB 4.12Å; F22-H38 VanDerWaalsContact CB-CD2 3.43Å; F22-H38 WeakPolarHBondContact CB-CD2 3.43Å; F22-H38 HydrophobicContact CD1-CB 4.14Å; F22-H38 HydrophobicContact CD2-CB 4.02Å; F22-H38 AromaticContact CD2-CD2 3.71Å; F22-H38 AromaticContact CD2-CG 3.63Å; F22-H38 AromaticContact CD2-ND1 3.92Å; F22-H38 HydrophobicContact CE1-CB 4.01Å; F22-H38 HydrophobicContact CE2-CB 3.89Å; F22-H38 AromaticContact CE2-CG 3.98Å; F22-H38 HydrophobicContact CG-CB 4.14Å; F22-H38 AromaticContact CG-CD2 3.46Å; F22-H38 VanDerWaalsContact CG-CD2 3.46Å; F22-H38 WeakPolarHBondContact CG-CD2 3.5Å; F22-H38 AromaticContact CG-CG 3.79Å; F22-H38 AromaticContact CG-NE2 3.97Å; F22-H38 HydrophobicContact CZ-CB 3.89Å
23Q90.1Very high91.2Very high120 Ų12081.3 Ų81.356%0.56141%0.408SS*.G310 helixtrans-62.9-10.8172.8-159.8175.72400113.7V18 C19 Q21V18-Q23 HydrophobicContact CG1-CB 4.27Å; C19-Q23 PolarHBondContact O-N 2.8Å; Q21-Q23 VanDerWaalsContact C-N 3.35Å; Q21-Q23 PolarHBondContact O-N 3.45Å
24R90.9Very high91.4Very high207 Ų20779.1 Ų79.178%0.78140%0.4SS*.G310 helixtrans-111.22.1174.1-69.3174.3178.2-96-1.9113.3R20 Q21 F22 T26R20-R24 WeakPolarHBondContact O-CD 3.05Å; R20-R24 VanDerWaalsContact O-CG 3.3Å; R20-R24 WeakPolarHBondContact O-CG 3.29Å; Q21-R24 CarbonylContact O-C 3.57Å; Q21-R24 WeakPolarHBondContact O-CA 3.26Å; Q21-R24 WeakPolarHBondContact O-CB 3.46Å; Q21-R24 PolarHBondContact O-N 3.25Å; F22-R24 PolarHBondContact O-N 3.27Å; R24-T26 VanDerWaalsContact C-N 3.25Å; R24-T26 PolarHBondContact O-N 3.43Å
25G89.8Confident91.3Very high73 Ų7384.8 Ų84.875%0.75342%0.424SS*.THydrogen-bonded Turntrans70.712.5-174.500000115.2Q21 F22Q21-G25 PolarHBondContact O-N 3.15Å; F22-G25 PolarHBondContact O-N 3.34Å
26T93.6Very high91.4Very high96 Ų9686.3 Ų86.359%0.58943%0.427SS*.  trans-113.513.6-172.658.70000114.6Q21 R24Q21-T26 PolarHBondContact O-N 3.2Å; Q21-T26 PolarHBondContact O-OG1 2.78Å; R24-T26 VanDerWaalsContact C-N 3.25Å; R24-T26 PolarHBondContact O-N 3.43Å
27C92.3Very high91.3Very high26 Ų2686 Ų8618%0.17643%0.425CS..  trans-88.5124.6172.9-155.60000110.7C19 Q21 F22C19-C27 VanDerWaalsContact SG-SG 3.63Å; Q21-C27 HydrophobicContact CB-CB 3.65Å; Q21-C27 PolarHBondContact O-N 2.98Å; F22-C27 HydrophobicContact CB-CB 4.12Å
28S90.9Very high91.3Very high125 Ų12584 Ų8487%0.87442%0.416SS*.  trans-97.34.217653.10000113.9
29R91.9Very high91.1Very high142 Ų14284.4 Ų84.454%0.53642%0.419SS..SBendtrans-91.3148.2178-64.7177.1177.7-107.3-8.9110.6E33 C34 H38R29-E33 HydrophobicContact CB-CB 4.47Å; R29-E33 PolarHBondContact NH1-O 3.2Å; R29-C34 HydrophobicContact CB-CB 4.34Å; R29-H38 PolarHBondContact O-CE1 3.42Å
30S89.3Confident90.6Very high49 Ų4987.3 Ų87.334%0.34344%0.438SS..  trans-68171.6165.879.80000111.1E32 E33 C34S30-E32 WeakPolarHBondContact CB-OE2 3.41Å; S30-E32 PolarHBondContact OG-N 2.7Å; S30-E32 PolarHBondContact OG-OE2 2.8Å; S30-E33 PolarHBondContact OG-N 3.37Å; S30-C34 VanDerWaalsContact O-CB 3.26Å; S30-C34 WeakPolarHBondContact O-CB 3.43Å; S30-C34 PolarHBondContact O-N 3.04Å; S30-C34 VanDerWaalsContact O-N 3.13Å
31D87.5Confident90Very high41 Ų4189.5 Ų89.522%0.21945%0.452CS..THydrogen-bonded Turntrans-69.3-33.3176.2-175.9-111.9000111.6E33 C34 H38 P72D31-E33 PolarHBondContact O-N 3.44Å; D31-C34 PolarHBondContact O-N 3.07Å; D31-H38 HydrophobicContact CB-CB 4.3Å; D31-H38 WeakPolarHBondContact OD2-CB 3.28Å; D31-H38 IonicContact OD2-CG 2.76Å; D31-H38 PolarHBondContact OD2-N 3.42Å; D31-H38 VanDerWaalsContact OD2-N 3.11Å; D31-P72 WeakPolarHBondContact OD1-CD 3.47Å; D31-P72 VanDerWaalsContact OD1-CG 3.29Å; D31-P72 WeakPolarHBondContact OD1-CG 3.49Å
32E88.4Confident89.2Confident133 Ų13388.4 Ų88.462%0.62146%0.455SS*.THydrogen-bonded Turntrans-65.8-37.1176.9-50.189.5161.200113S30S30-E32 WeakPolarHBondContact CB-OE2 3.41Å; S30-E32 PolarHBondContact OG-N 2.7Å; S30-E32 PolarHBondContact OG-OE2 2.8Å
33E89.6Confident88.7Confident136 Ų13684.8 Ų84.864%0.63644%0.441SS*.THydrogen-bonded Turntrans-89.2-10179.9-66.5-169.9175.800114.2R29 S30 D31R29-E33 HydrophobicContact CB-CB 4.47Å; R29-E33 PolarHBondContact NH1-O 3.2Å; S30-E33 PolarHBondContact OG-N 3.37Å; D31-E33 PolarHBondContact O-N 3.44Å
34C91.4Very high88.2Confident6 Ų685.4 Ų85.44%0.04144%0.444CS..  trans-82.7132.8-178.3-161.70000111.4C19 R29 S30 D31 F36 H38C19-C34 VanDerWaalsContact SG-SG 3.66Å; R29-C34 HydrophobicContact CB-CB 4.34Å; S30-C34 VanDerWaalsContact O-CB 3.26Å; S30-C34 WeakPolarHBondContact O-CB 3.43Å; S30-C34 PolarHBondContact O-N 3.04Å; S30-C34 VanDerWaalsContact O-N 3.13Å; D31-C34 PolarHBondContact O-N 3.07Å; C34-F36 WeakPolarHBondContact CB-O 3.39Å; C34-F36 PolarHBondContact O-N 2.99Å; C34-F36 VanDerWaalsContact O-N 3.15Å; C34-F36 PolarHBondContact SG-O 3.11Å; C34-H38 PolarHBondContact SG-NE2 2.99Å
35K89.9Confident88Confident136 Ų13678.6 Ų78.659%0.59143%0.425SS*.SBendtrans-68-9.1173.8-180174.3177.9-55.90112.9
36F92.2Very high87.7Confident75 Ų7581.6 Ų81.633%0.32942%0.42SS..SBendtrans-138150.7-172.7-60.6-83.6000110.1E17 C19 C34E17-F36 HydrophobicContact CB-CD1 4.17Å; C19-F36 VanDerWaalsContact CA-CB 3.47Å; C19-F36 HydrophobicContact CB-CB 3.7Å; C34-F36 WeakPolarHBondContact CB-O 3.39Å; C34-F36 PolarHBondContact O-N 2.99Å; C34-F36 VanDerWaalsContact O-N 3.15Å; C34-F36 PolarHBondContact SG-O 3.11Å
37A92.1Very high87.3Confident0 Ų084.2 Ų84.20%043%0.43CS..BIsolated β-bridgetrans-66.4140.2-172.700000113.6L16 E17 C19 P39 V50 L69L16-A37 HydrophobicContact CB-CB 4.12Å; L16-A37 HydrophobicContact CD1-CB 4.33Å; E17-A37 PolarHBondContact O-N 3.3Å; C19-A37 PolarHBondContact N-O 3.15Å; A37-P39 WeakPolarHBondContact O-CD 3.46Å; A37-V50 HydrophobicContact CB-CG2 4.46Å; A37-L69 HydrophobicContact CB-CD2 3.5Å; A37-L69 VanDerWaalsContact CB-CD2 3.5Å
38H91.8Very high87.1Confident21 Ų2184 Ų8410%0.09743%0.433CS..  trans-104.287167-64.6168000110.8C19 F22 R29 D31 C34C19-H38 WeakPolarHBondContact CB-CD2 3.39Å; C19-H38 VanDerWaalsContact CB-NE2 3.33Å; C19-H38 WeakPolarHBondContact CB-NE2 3.22Å; F22-H38 VanDerWaalsContact CB-CD2 3.43Å; F22-H38 WeakPolarHBondContact CB-CD2 3.43Å; F22-H38 HydrophobicContact CD1-CB 4.14Å; F22-H38 HydrophobicContact CD2-CB 4.02Å; F22-H38 AromaticContact CD2-CD2 3.71Å; F22-H38 AromaticContact CD2-CG 3.63Å; F22-H38 AromaticContact CD2-ND1 3.92Å; F22-H38 HydrophobicContact CE1-CB 4.01Å; F22-H38 HydrophobicContact CE2-CB 3.89Å; F22-H38 AromaticContact CE2-CG 3.98Å; F22-H38 HydrophobicContact CG-CB 4.14Å; F22-H38 AromaticContact CG-CD2 3.46Å; F22-H38 VanDerWaalsContact CG-CD2 3.46Å; F22-H38 WeakPolarHBondContact CG-CD2 3.5Å; F22-H38 AromaticContact CG-CG 3.79Å; F22-H38 AromaticContact CG-NE2 3.97Å; F22-H38 HydrophobicContact CZ-CB 3.89Å; R29-H38 PolarHBondContact O-CE1 3.42Å; D31-H38 HydrophobicContact CB-CB 4.3Å; D31-H38 WeakPolarHBondContact OD2-CB 3.28Å; D31-H38 IonicContact OD2-CG 2.76Å; D31-H38 PolarHBondContact OD2-N 3.42Å; D31-H38 VanDerWaalsContact OD2-N 3.11Å; C34-H38 PolarHBondContact SG-NE2 2.99Å
39P89.3Confident87.1Confident14 Ų1483.1 Ų83.19%0.09141%0.41CS..  trans-67136-178.625.5-33.2000112.7V18 A37 C43 V45 V50V18-P39 HydrophobicContact CG1-CG 4.13Å; V18-P39 HydrophobicContact CG2-CG 3.96Å; A37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-C43 HydrophobicContact CB-CB 4Å; P39-V45 HydrophobicContact CB-CG2 4.07Å; P39-V45 HydrophobicContact CG-CG2 3.74Å; P39-V50 HydrophobicContact CB-CG1 4.01Å; P39-V50 HydrophobicContact CG-CG1 4.05Å
40P84.9Confident87.1Confident64 Ų6476.5 Ų76.542%0.41639%0.385SS..  trans-66.8158.6167.230.6-35.4000110.4S42 C43P40-S42 PolarHBondContact O-N 3.02Å; P40-C43 HydrophobicContact CG-CB 4.29Å; P40-C43 PolarHBondContact O-N 3.25Å
41K78.3Confident87.2Confident226 Ų22676.7 Ų76.798%0.98338%0.382SS*.THydrogen-bonded Turntrans-59.3-13.8-175.6-60.7179.5-177.7176.90114.9
42S76.4Confident87.4Confident77 Ų7774.8 Ų74.854%0.53837%0.372SS..THydrogen-bonded Turntrans-88-17.2176.151.20000114.5P40P40-S42 PolarHBondContact O-N 3.02Å
43C82.8Confident87.6Confident13 Ų1368.7 Ų68.79%0.08834%0.344CS..SBendtrans-81135.4-179.1-82.40000111.6P39 P40 V45P39-C43 HydrophobicContact CB-CB 4Å; P40-C43 HydrophobicContact CG-CB 4.29Å; P40-C43 PolarHBondContact O-N 3.25Å; C43-V45 PolarHBondContact O-N 3.4Å
44Q79.6Confident87.6Confident134 Ų13466.3 Ų66.363%0.62633%0.332SS*.  trans-72.8117.1174.9-67.8-176.9-43.200110
45V86.9Confident87.6Confident63 Ų6369.9 Ų69.938%0.38235%0.35SS..EExtended strand (participates in β ladder)trans-101.7115.2174.4-176.80000108.7V18 P39 C43 R49 V50V18-V45 HydrophobicContact CG2-CG1 3.8Å; V18-V45 HydrophobicContact CG2-CG2 4.44Å; P39-V45 HydrophobicContact CB-CG2 4.07Å; P39-V45 HydrophobicContact CG-CG2 3.74Å; C43-V45 PolarHBondContact O-N 3.4Å; V45-R49 CarbonylContact C-O 3.57Å; V45-R49 WeakPolarHBondContact CA-O 3.34Å; V45-V50 HydrophobicContact CB-CG1 4.45Å; V45-V50 HydrophobicContact CG1-CG1 4.39Å; V45-V50 HydrophobicContact CG2-CG1 3.92Å
46E82.4Confident87.6Confident137 Ų13764.4 Ų64.464%0.6433%0.329SS*.EExtended strand (participates in β ladder)trans-119123-177.7-174.8176.9179.400109.6G48 R49E46-G48 PolarHBondContact O-N 3.28Å; E46-G48 VanDerWaalsContact O-N 3.09Å; E46-R49 PolarHBondContact N-O 3.02Å; E46-R49 WeakPolarHBondContact O-CA 3.4Å; E46-R49 PolarHBondContact O-N 2.97Å
47N86.1Confident87.5Confident151 Ų15161.1 Ų61.181%0.80732%0.315SS*.THydrogen-bonded Turntrans51.233.2-178.9-68.2-70.4000114.6R49N47-R49 VanDerWaalsContact C-N 3.28Å; N47-R49 PolarHBondContact O-N 2.96Å
48G87.4Confident87.4Confident22 Ų2266.6 Ų66.623%0.22734%0.339CS..THydrogen-bonded Turntrans74.913.4-176.600000114.6V18 E46V18-G48 WeakPolarHBondContact CB-O 3.33Å; V18-G48 PolarHBondContact N-O 3.47Å; E46-G48 PolarHBondContact O-N 3.28Å; E46-G48 VanDerWaalsContact O-N 3.09Å
49R90.9Very high87.2Confident106 Ų10668.6 Ų68.640%0.437%0.365SS..EExtended strand (participates in β ladder)trans-118.1159.4174.1-58.3-172.3-175.2-66.2-18.6111L16 E17 V45 E46 N47L16-R49 CarbonylContact O-C 3.58Å; L16-R49 WeakPolarHBondContact O-CA 3.49Å; L16-R49 WeakPolarHBondContact O-CB 3.18Å; E17-R49 IonicContact OE2-CZ 3.84Å; E17-R49 IonicContact OE2-NH1 3.17Å; E17-R49 PolarHBondContact OE2-NH1 3.37Å; E17-R49 IonicContact OE2-NH2 3.75Å; E17-R49 PolarHBondContact OE2-NH2 2.87Å; V45-R49 CarbonylContact C-O 3.57Å; V45-R49 WeakPolarHBondContact CA-O 3.34Å; E46-R49 PolarHBondContact N-O 3.02Å; E46-R49 WeakPolarHBondContact O-CA 3.4Å; E46-R49 PolarHBondContact O-N 2.97Å; N47-R49 VanDerWaalsContact C-N 3.28Å; N47-R49 PolarHBondContact O-N 2.96Å
50V91.9Very high87.2Confident3 Ų377.7 Ų77.72%0.01840%0.398CS..EExtended strand (participates in β ladder)trans-133.5150.6175.3-36.20000109.5T15 L16 V18 A37 P39 V45 L69T15-V50 CarbonylContact C-O 3.38Å; T15-V50 VanDerWaalsContact CA-O 3.29Å; T15-V50 WeakPolarHBondContact CA-O 3.46Å; L16-V50 HydrophobicContact CB-CG2 4.43Å; L16-V50 PolarHBondContact N-O 3.05Å; L16-V50 PolarHBondContact O-N 3.49Å; V18-V50 HydrophobicContact CG2-CG1 3.32Å; A37-V50 HydrophobicContact CB-CG2 4.46Å; P39-V50 HydrophobicContact CB-CG1 4.01Å; P39-V50 HydrophobicContact CG-CG1 4.05Å; V45-V50 HydrophobicContact CB-CG1 4.45Å; V45-V50 HydrophobicContact CG1-CG1 4.39Å; V45-V50 HydrophobicContact CG2-CG1 3.92Å; V50-L69 HydrophobicContact CG2-CB 3.87Å; V50-L69 HydrophobicContact CG2-CD2 3.72Å; V50-L69 HydrophobicContact CG2-CG 4.46Å
51I91.4Very high87.5Confident53 Ų5376.2 Ų76.227%0.27239%0.388SS..EExtended strand (participates in β ladder)trans-90.2124.1173.9-60.6168.2000108.6L14 T15 Y68 L69L14-I51 HydrophobicContact CB-CG2 4.22Å; T15-I51 HydrophobicContact CG2-CG1 4.24Å; I51-Y68 HydrophobicContact CB-CD1 3.84Å; I51-Y68 HydrophobicContact CB-CE1 4.16Å; I51-Y68 HydrophobicContact CG2-CD1 3.65Å; I51-Y68 HydrophobicContact CG2-CE1 3.84Å; I51-Y68 WeakPolarHBondContact O-CB 3.47Å; I51-L69 PolarHBondContact O-N 3.11Å
52A91.8Very high88Confident1 Ų171.1 Ų71.11%0.00838%0.381CS..BIsolated β-bridgetrans-79.214917400000112L14 F54 L69 P71 L79L14-A52 PolarHBondContact O-N 3.4Å; A52-F54 PolarHBondContact O-N 3.28Å; A52-L69 CarbonylContact C-O 3.41Å; A52-L69 WeakPolarHBondContact CA-O 3.41Å; A52-P71 HydrophobicContact CB-CG 4.22Å; A52-L79 HydrophobicContact CB-CD1 3.42Å; A52-L79 VanDerWaalsContact CB-CD1 3.42Å
53C91.5Very high88.6Confident4 Ų476.3 Ų76.33%0.02739%0.389CS..  trans-71.8111.6179.8-179.70000110.6D55 S56 L57 C66 L69C53-D55 PolarHBondContact O-N 3.05Å; C53-S56 WeakPolarHBondContact CB-OG 3.11Å; C53-S56 WeakPolarHBondContact O-CB 3.3Å; C53-S56 PolarHBondContact O-N 2.76Å; C53-S56 PolarHBondContact O-OG 3.16Å; C53-S56 PolarHBondContact SG-N 3.27Å; C53-S56 VanDerWaalsContact SG-N 3.42Å; C53-L57 PolarHBondContact O-N 3.4Å; C53-L57 VanDerWaalsContact O-N 3.15Å; C53-C66 VanDerWaalsContact SG-SG 3.67Å; C53-L69 PolarHBondContact N-O 3.14Å
54F90.5Very high88.3Confident87 Ų8784.3 Ų84.338%0.38243%0.425SS..Hα-helixtrans-53.7-42176-179.5-92.4000112.2W13 L14 A52 S56 L57 K58W13-F54 AromaticContact CH2-CD2 3.81Å; W13-F54 HydrophobicContact CH2-CD2 3.81Å; W13-F54 AromaticContact CH2-CE2 3.87Å; W13-F54 HydrophobicContact CH2-CE2 3.87Å; W13-F54 AromaticContact CZ2-CD2 3.91Å; W13-F54 HydrophobicContact CZ2-CD2 3.91Å; W13-F54 AromaticContact CZ2-CE2 3.85Å; W13-F54 HydrophobicContact CZ2-CE2 3.85Å; L14-F54 HydrophobicContact CD1-CB 4.2Å; L14-F54 HydrophobicContact CD1-CD2 4.32Å; L14-F54 HydrophobicContact CD2-CB 4.38Å; L14-F54 HydrophobicContact CD2-CD2 4.28Å; A52-F54 PolarHBondContact O-N 3.28Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 3.01Å; F54-L57 WeakPolarHBondContact O-CB 3.41Å; F54-L57 PolarHBondContact O-N 2.82Å; F54-K58 HydrophobicContact CD1-CG 4.32Å; F54-K58 HydrophobicContact CE1-CG 3.92Å; F54-K58 HydrophobicContact CZ-CG 4.2Å; F54-K58 PolarHBondContact O-N 2.92Å
55D91.6Very high88.4Confident81 Ų8184.8 Ų84.843%0.43343%0.432SS..Hα-helixtrans-69.3-28.4179.6-56.9-76000112.6C53 K58 G59 R60 C61C53-D55 PolarHBondContact O-N 3.05Å; D55-K58 CarbonylContact O-C 3.56Å; D55-K58 PolarHBondContact O-N 3.22Å; D55-G59 PolarHBondContact O-N 3.38Å; D55-R60 HydrophobicContact CB-CB 4.45Å; D55-R60 PolarHBondContact O-N 2.89Å; D55-C61 HydrophobicContact CB-CB 3.89Å; D55-C61 PolarHBondContact O-N 2.84Å
56S90.4Very high88.4Confident21 Ų2182.5 Ų82.515%0.14742%0.419CS..Hα-helixtrans-70.7-38.1172.178.50000112.2C53 F54 K58 G59 H70 P71 K76C53-S56 WeakPolarHBondContact CB-OG 3.11Å; C53-S56 WeakPolarHBondContact O-CB 3.3Å; C53-S56 PolarHBondContact O-N 2.76Å; C53-S56 PolarHBondContact O-OG 3.16Å; C53-S56 PolarHBondContact SG-N 3.27Å; C53-S56 VanDerWaalsContact SG-N 3.42Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 3.01Å; S56-K58 PolarHBondContact O-N 2.97Å; S56-G59 PolarHBondContact O-N 2.89Å; S56-H70 VanDerWaalsContact CB-CD2 3.46Å; S56-H70 WeakPolarHBondContact CB-CD2 3.45Å; S56-P71 WeakPolarHBondContact OG-CD 3.07Å; S56-K76 PolarHBondContact O-NZ 2.98Å
57L90.1Very high88.6Confident6 Ų681.2 Ų81.23%0.03141%0.411CS..Hα-helixtrans-59.9-37.8170.4-59.6175.3000110.1W13 L14 C53 F54 P71 K76 L79W13-L57 HydrophobicContact CH2-CD1 4.39Å; W13-L57 HydrophobicContact CZ3-CD1 4.07Å; L14-L57 HydrophobicContact CD2-CD1 3.49Å; L14-L57 VanDerWaalsContact CD2-CD1 3.49Å; C53-L57 PolarHBondContact O-N 3.4Å; C53-L57 VanDerWaalsContact O-N 3.15Å; F54-L57 WeakPolarHBondContact O-CB 3.41Å; F54-L57 PolarHBondContact O-N 2.82Å; L57-P71 HydrophobicContact CD2-CG 3.7Å; L57-K76 HydrophobicContact CD2-CB 3.95Å; L57-K76 HydrophobicContact CD2-CD 4.42Å; L57-K76 HydrophobicContact CD2-CG 3.75Å; L57-K76 WeakPolarHBondContact O-CE 3.41Å; L57-K76 PolarHBondContact O-NZ 3.32Å; L57-L79 HydrophobicContact CD1-CB 4.05Å; L57-L79 HydrophobicContact CD1-CD1 4.28Å; L57-L79 HydrophobicContact CD2-CB 4.05Å; L57-L79 HydrophobicContact CD2-CD1 3.92Å
58K88.3Confident88.8Confident114 Ų11478.9 Ų78.950%0.49639%0.391SS..THydrogen-bonded Turntrans-83.40.3175.7-60.1-52.2-177.4-1730115.6F54 D55 S56 R60F54-K58 HydrophobicContact CD1-CG 4.32Å; F54-K58 HydrophobicContact CE1-CG 3.92Å; F54-K58 HydrophobicContact CZ-CG 4.2Å; F54-K58 PolarHBondContact O-N 2.92Å; D55-K58 CarbonylContact O-C 3.56Å; D55-K58 PolarHBondContact O-N 3.22Å; S56-K58 PolarHBondContact O-N 2.97Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 HydrophobicContact CB-CG 4.4Å; K58-R60 PolarHBondContact O-N 3.05Å
59G87.9Confident89Confident64 Ų6478.2 Ų78.266%0.6638%0.383SS*.THydrogen-bonded Turntrans66.523.5-178.600000114.3D55 S56D55-G59 PolarHBondContact O-N 3.38Å; S56-G59 PolarHBondContact O-N 2.89Å
60R90.8Very high89Confident205 Ų20576.7 Ų76.777%0.77438%0.38SS*.  trans-112.8-7.1-176.8-65.3-177.2-179.4-170.4-3114.1D55 K58 S62D55-R60 HydrophobicContact CB-CB 4.45Å; D55-R60 PolarHBondContact O-N 2.89Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 HydrophobicContact CB-CG 4.4Å; K58-R60 PolarHBondContact O-N 3.05Å; R60-S62 PolarHBondContact O-N 2.85Å
61C89.8Confident88.9Confident32 Ų3277.3 Ų77.322%0.21638%0.384CS..  trans-79.1111.9176.7-165.70000110.9D55 H70D55-C61 HydrophobicContact CB-CB 3.89Å; D55-C61 PolarHBondContact O-N 2.84Å; C61-H70 VanDerWaalsContact SG-CE1 3.55Å; C61-H70 PolarHBondContact SG-NE2 3.09Å
62S88.4Confident88.9Confident119 Ų11975.6 Ų75.683%0.83238%0.376SS*.  trans-95.36.6172.6540000113.7R60R60-S62 PolarHBondContact O-N 2.85Å
63R89.2Confident88.9Confident186 Ų18681 Ų8170%0.70241%0.41SS*.  trans-88.5116.1-176.9-61.4-175.9179.3-155.2-1.4110.9C66 H70R63-C66 HydrophobicContact CB-CB 4.35Å; R63-H70 PolarHBondContact O-CE1 3.36Å
64E76.4Confident88.9Confident181 Ų18186 Ų8685%0.84643%0.432SS*.THydrogen-bonded Turntrans-62.4-52.8171.764.2-138.5122.400111.7C66E64-C66 VanDerWaalsContact C-N 3.27Å; E64-C66 PolarHBondContact O-N 2.92Å; E64-C66 VanDerWaalsContact O-N 3.09Å
65N82.1Confident88.9Confident145 Ų14582 Ų8278%0.77542%0.415SS*.THydrogen-bonded Turntrans-88.459.8175.7-73.2-33.3000110.7
66C87.1Confident89Confident15 Ų1580.9 Ų80.910%0.10141%0.406CS..  trans-69137.6176-166.80000111.6C53 R63 E64 Y68 H70C53-C66 VanDerWaalsContact SG-SG 3.67Å; R63-C66 HydrophobicContact CB-CB 4.35Å; E64-C66 VanDerWaalsContact C-N 3.27Å; E64-C66 PolarHBondContact O-N 2.92Å; E64-C66 VanDerWaalsContact O-N 3.09Å; C66-Y68 PolarHBondContact O-N 3.07Å; C66-Y68 PolarHBondContact SG-O 3.46Å; C66-Y68 VanDerWaalsContact SG-O 3.37Å; C66-H70 WeakPolarHBondContact CB-NE2 3.11Å; C66-H70 PolarHBondContact SG-NE2 3.35Å
67K87.5Confident89.1Confident110 Ų11083.7 Ų83.748%0.47842%0.423SS..SBendtrans-64.2-26.3174.5176.9175.2178.1-177.20112.8
68Y89.7Confident89.1Confident101 Ų10187.1 Ų87.140%0.39644%0.438SS..SBendtrans-112.5144.9-173.7-58.7-72.8000109.7I51 C66 H70I51-Y68 HydrophobicContact CB-CD1 3.84Å; I51-Y68 HydrophobicContact CB-CE1 4.16Å; I51-Y68 HydrophobicContact CG2-CD1 3.65Å; I51-Y68 HydrophobicContact CG2-CE1 3.84Å; I51-Y68 WeakPolarHBondContact O-CB 3.47Å; C66-Y68 PolarHBondContact O-N 3.07Å; C66-Y68 PolarHBondContact SG-O 3.46Å; C66-Y68 VanDerWaalsContact SG-O 3.37Å; Y68-H70 PolarHBondContact O-N 3.49Å
69L91.2Very high89.3Confident9 Ų981.7 Ų81.75%0.04742%0.415CS..BIsolated β-bridgetrans-59137.5-177.2177.663.7000111.1L16 A37 V50 I51 A52 C53 P71L16-L69 HydrophobicContact CD1-CD2 4.29Å; A37-L69 HydrophobicContact CB-CD2 3.5Å; A37-L69 VanDerWaalsContact CB-CD2 3.5Å; V50-L69 HydrophobicContact CG2-CB 3.87Å; V50-L69 HydrophobicContact CG2-CD2 3.72Å; V50-L69 HydrophobicContact CG2-CG 4.46Å; I51-L69 PolarHBondContact O-N 3.11Å; A52-L69 CarbonylContact C-O 3.41Å; A52-L69 WeakPolarHBondContact CA-O 3.41Å; C53-L69 PolarHBondContact N-O 3.14Å; L69-P71 VanDerWaalsContact O-CD 3.28Å; L69-P71 WeakPolarHBondContact O-CD 3.48Å
70H91.3Very high89.5Confident74 Ų7481.2 Ų81.234%0.34340%0.395SS..  trans-92.7101.7165.3-72-172.6000107.8S56 C61 R63 C66 Y68S56-H70 VanDerWaalsContact CB-CD2 3.46Å; S56-H70 WeakPolarHBondContact CB-CD2 3.45Å; C61-H70 VanDerWaalsContact SG-CE1 3.55Å; C61-H70 PolarHBondContact SG-NE2 3.09Å; R63-H70 PolarHBondContact O-CE1 3.36Å; C66-H70 WeakPolarHBondContact CB-NE2 3.11Å; C66-H70 PolarHBondContact SG-NE2 3.35Å; Y68-H70 PolarHBondContact O-N 3.49Å
71P89.8Confident89.5Confident15 Ų1575.5 Ų75.510%0.09738%0.379CS..  trans-78.2147.2-172.531.4-34.3000111.9L16 A52 S56 L57 L69 L75 K76 L79L16-P71 HydrophobicContact CD1-CB 3.91Å; A52-P71 HydrophobicContact CB-CG 4.22Å; S56-P71 WeakPolarHBondContact OG-CD 3.07Å; L57-P71 HydrophobicContact CD2-CG 3.7Å; L69-P71 VanDerWaalsContact O-CD 3.28Å; L69-P71 WeakPolarHBondContact O-CD 3.48Å; P71-L75 HydrophobicContact CB-CB 3.98Å; P71-K76 HydrophobicContact CG-CB 4.23Å; P71-L79 HydrophobicContact CB-CD1 4.29Å; P71-L79 HydrophobicContact CG-CD1 3.87Å
72P92Very high89.6Confident17 Ų1776.7 Ų76.711%0.1138%0.384CS..  trans-67163.4176.529.8-35.5000110.8D31 H74 L75 K76D31-P72 WeakPolarHBondContact OD1-CD 3.47Å; D31-P72 VanDerWaalsContact OD1-CG 3.29Å; D31-P72 WeakPolarHBondContact OD1-CG 3.49Å; P72-H74 VanDerWaalsContact C-N 3.27Å; P72-H74 PolarHBondContact O-N 2.88Å; P72-H74 VanDerWaalsContact O-N 3.07Å; P72-L75 HydrophobicContact CG-CB 4.17Å; P72-L75 HydrophobicContact CG-CD1 3.93Å; P72-L75 HydrophobicContact CG-CG 4.12Å; P72-L75 PolarHBondContact O-N 3.49Å; P72-K76 WeakPolarHBondContact O-CB 3.34Å; P72-K76 PolarHBondContact O-N 2.96Å
73T90.7Very high89.7Confident116 Ų11671.6 Ų71.671%0.71235%0.35SS*.Hα-helixtrans-49-42.2-170.153.80000114.2T77T73-T77 WeakPolarHBondContact O-CB 3.49Å; T73-T77 PolarHBondContact O-N 2.76Å; T73-T77 PolarHBondContact O-OG1 3.39Å
74H91.2Very high89.8Confident108 Ų10870.4 Ų70.450%0.535%0.345SS..Hα-helixtrans-64.6-50.4176.9177.6-102.5000112.5P72 T77 Q78P72-H74 VanDerWaalsContact C-N 3.27Å; P72-H74 PolarHBondContact O-N 2.88Å; P72-H74 VanDerWaalsContact O-N 3.07Å; H74-T77 PolarHBondContact O-N 2.73Å; H74-Q78 PolarHBondContact O-N 3.3Å
75L92.1Very high90.4Very high2 Ų265.4 Ų65.41%0.0133%0.325CS..Hα-helixtrans-71.1-32.3179.7-65.9179000112.3L16 P71 P72 Q78 L79L16-L75 HydrophobicContact CD1-CB 4.05Å; L16-L75 HydrophobicContact CD1-CD1 4.3Å; L16-L75 HydrophobicContact CD2-CD2 4.43Å; P71-L75 HydrophobicContact CB-CB 3.98Å; P72-L75 HydrophobicContact CG-CB 4.17Å; P72-L75 HydrophobicContact CG-CD1 3.93Å; P72-L75 HydrophobicContact CG-CG 4.12Å; P72-L75 PolarHBondContact O-N 3.49Å; L75-Q78 PolarHBondContact O-N 2.98Å; L75-L79 WeakPolarHBondContact O-CG 3.36Å; L75-L79 PolarHBondContact O-N 3.47Å
76K92.4Very high90.8Very high59 Ų5959.9 Ų59.926%0.25730%0.295SS..Hα-helixtrans-57.4-50.2168165.4166179.6165.60111.3S56 L57 P71 P72 Q78 L79 E80S56-K76 PolarHBondContact O-NZ 2.98Å; L57-K76 HydrophobicContact CD2-CB 3.95Å; L57-K76 HydrophobicContact CD2-CD 4.42Å; L57-K76 HydrophobicContact CD2-CG 3.75Å; L57-K76 WeakPolarHBondContact O-CE 3.41Å; L57-K76 PolarHBondContact O-NZ 3.32Å; P71-K76 HydrophobicContact CG-CB 4.23Å; P72-K76 WeakPolarHBondContact O-CB 3.34Å; P72-K76 PolarHBondContact O-N 2.96Å; K76-Q78 VanDerWaalsContact C-N 3.3Å; K76-Q78 PolarHBondContact O-N 3.28Å; K76-L79 PolarHBondContact O-N 3.42Å; K76-L79 VanDerWaalsContact O-N 3.16Å; K76-E80 WeakPolarHBondContact CE-OE1 3.35Å; K76-E80 PolarHBondContact O-N 3.46Å
77T92.1Very high90.8Very high80 Ų8064.4 Ų64.449%0.49132%0.317SS..Hα-helixtrans-60.2-41.9178.8-55.50000111.1T73 H74 L79 E80 I81T73-T77 WeakPolarHBondContact O-CB 3.49Å; T73-T77 PolarHBondContact O-N 2.76Å; T73-T77 PolarHBondContact O-OG1 3.39Å; H74-T77 PolarHBondContact O-N 2.73Å; T77-L79 PolarHBondContact O-N 3.02Å; T77-E80 PolarHBondContact O-N 2.76Å; T77-I81 HydrophobicContact CG2-CD1 4.23Å; T77-I81 WeakPolarHBondContact O-CG1 3.44Å; T77-I81 PolarHBondContact O-N 2.89Å; T77-I81 VanDerWaalsContact O-N 3.11Å
78Q91.7Very high90.8Very high78 Ų7864 Ų6436%0.36432%0.319SS..Hα-helixtrans-61.6-42.3175.1-172.1179.7-6.700112.6H74 L75 K76 I81 N82H74-Q78 PolarHBondContact O-N 3.3Å; L75-Q78 PolarHBondContact O-N 2.98Å; K76-Q78 VanDerWaalsContact C-N 3.3Å; K76-Q78 PolarHBondContact O-N 3.28Å; Q78-I81 PolarHBondContact O-N 2.81Å; Q78-N82 VanDerWaalsContact O-CG 3.27Å; Q78-N82 PolarHBondContact O-N 3.38Å
79L92.6Very high90.7Very high0 Ų065.1 Ų65.10%033%0.328CS..Hα-helixtrans-66.3-38176.7-76.5168.1000113W13 L16 A52 L57 P71 L75 K76 T77 I81 N82 G83W13-L79 WeakPolarHBondContact O-CD2 3.19Å; L16-L79 HydrophobicContact CD1-CD1 3.74Å; L16-L79 HydrophobicContact CD1-CG 4.39Å; L16-L79 HydrophobicContact CD2-CD1 4.13Å; L16-L79 HydrophobicContact CD2-CD2 3.92Å; L16-L79 HydrophobicContact CD2-CG 3.86Å; L16-L79 HydrophobicContact CG-CD1 3.84Å; L16-L79 HydrophobicContact CG-CD2 4.02Å; L16-L79 HydrophobicContact CG-CG 4.07Å; A52-L79 HydrophobicContact CB-CD1 3.42Å; A52-L79 VanDerWaalsContact CB-CD1 3.42Å; L57-L79 HydrophobicContact CD1-CB 4.05Å; L57-L79 HydrophobicContact CD1-CD1 4.28Å; L57-L79 HydrophobicContact CD2-CB 4.05Å; L57-L79 HydrophobicContact CD2-CD1 3.92Å; P71-L79 HydrophobicContact CB-CD1 4.29Å; P71-L79 HydrophobicContact CG-CD1 3.87Å; L75-L79 WeakPolarHBondContact O-CG 3.36Å; L75-L79 PolarHBondContact O-N 3.47Å; K76-L79 PolarHBondContact O-N 3.42Å; K76-L79 VanDerWaalsContact O-N 3.16Å; T77-L79 PolarHBondContact O-N 3.02Å; L79-I81 VanDerWaalsContact C-N 3.33Å; L79-I81 PolarHBondContact O-N 3.1Å; L79-N82 PolarHBondContact O-N 3.42Å; L79-G83 PolarHBondContact O-N 2.9Å
80E91.7Very high90.4Very high53 Ų5369.4 Ų69.425%0.24835%0.348CS..Hα-helixtrans-65-36.6174.9-72.4-173.9-154.400112.5K76 T77 R84K76-E80 WeakPolarHBondContact CE-OE1 3.35Å; K76-E80 PolarHBondContact O-N 3.46Å; T77-E80 PolarHBondContact O-N 2.76Å; E80-R84 VanDerWaalsContact O-CG 3.31Å; E80-R84 WeakPolarHBondContact O-CG 3.31Å; E80-R84 PolarHBondContact O-N 3.19Å; E80-R84 VanDerWaalsContact O-N 3.15Å; E80-R84 IonicContact OE2-NH2 3.66Å
81I91.1Very high90.2Very high86 Ų8673.7 Ų73.744%0.44137%0.366SS..Hα-helixtrans-66-45.8172.5-66.9163.8000110.4T77 Q78 L79 G83 R84 N85T77-I81 HydrophobicContact CG2-CD1 4.23Å; T77-I81 WeakPolarHBondContact O-CG1 3.44Å; T77-I81 PolarHBondContact O-N 2.89Å; T77-I81 VanDerWaalsContact O-N 3.11Å; Q78-I81 PolarHBondContact O-N 2.81Å; L79-I81 VanDerWaalsContact C-N 3.33Å; L79-I81 PolarHBondContact O-N 3.1Å; I81-G83 VanDerWaalsContact C-N 3.34Å; I81-G83 PolarHBondContact O-N 3.15Å; I81-R84 PolarHBondContact O-N 2.72Å; I81-N85 PolarHBondContact O-N 3.37Å; I81-N85 PolarHBondContact O-ND2 3Å
82N91.3Very high90.1Very high57 Ų5776.6 Ų76.631%0.30538%0.383SS..Hα-helixtrans-59.3-42.5176.6-72.1-16.7000112.3Q78 L79 N85 N86Q78-N82 VanDerWaalsContact O-CG 3.27Å; Q78-N82 PolarHBondContact O-N 3.38Å; L79-N82 PolarHBondContact O-N 3.42Å; N82-N85 PolarHBondContact O-N 3.34Å; N82-N86 WeakPolarHBondContact O-CB 3.29Å; N82-N86 PolarHBondContact O-N 3.29Å
83G91Very high89.7Confident12 Ų1278.7 Ų78.712%0.12440%0.402CS..Hα-helixtrans-64.7-39.8177.400000113.4W13 L79 I81 N86 L87W13-G83 VanDerWaalsContact CD2-CA 3.45Å; L79-G83 PolarHBondContact O-N 2.9Å; I81-G83 VanDerWaalsContact C-N 3.34Å; I81-G83 PolarHBondContact O-N 3.15Å; G83-N86 PolarHBondContact O-N 3.01Å; G83-L87 WeakPolarHBondContact O-CB 3.44Å; G83-L87 PolarHBondContact O-N 3.47Å
84R90.1Very high89.3Confident160 Ų16075.9 Ų75.960%0.60439%0.391SS*.Hα-helixtrans-62.6-46.3172.7-68172.1-155.2-165.87.1111.1E80 I81 N86 L87 I88E80-R84 VanDerWaalsContact O-CG 3.31Å; E80-R84 WeakPolarHBondContact O-CG 3.31Å; E80-R84 PolarHBondContact O-N 3.19Å; E80-R84 VanDerWaalsContact O-N 3.15Å; E80-R84 IonicContact OE2-NH2 3.66Å; I81-R84 PolarHBondContact O-N 2.72Å; R84-N86 PolarHBondContact O-N 3.12Å; R84-L87 PolarHBondContact O-N 2.87Å; R84-I88 VanDerWaalsContact O-CG1 3.31Å; R84-I88 WeakPolarHBondContact O-CG1 3.46Å; R84-I88 PolarHBondContact O-N 3.35Å
85N90.8Very high88.8Confident77 Ų7773.6 Ų73.641%0.41239%0.39SS..Hα-helixtrans-63.1-40.8178.3-72.5-26.7000112.3I81 N82 I88 Q89I81-N85 PolarHBondContact O-N 3.37Å; I81-N85 PolarHBondContact O-ND2 3Å; N82-N85 PolarHBondContact O-N 3.34Å; N85-I88 PolarHBondContact O-N 3Å; N85-Q89 VanDerWaalsContact O-CG 3.28Å; N85-Q89 WeakPolarHBondContact O-CG 3.37Å; N85-Q89 PolarHBondContact O-N 2.93Å
86N89.6Confident88.3Confident29 Ų2979.5 Ų79.516%0.15542%0.419CS..Hα-helixtrans-67-38.9177.2-178.7-119.3000112.2W13 N82 G83 R84 Q89 Q90W13-N86 HydrophobicContact CB-CB 3.9Å; W13-N86 HydrophobicContact CG-CB 4.21Å; N82-N86 WeakPolarHBondContact O-CB 3.29Å; N82-N86 PolarHBondContact O-N 3.29Å; G83-N86 PolarHBondContact O-N 3.01Å; R84-N86 PolarHBondContact O-N 3.12Å; N86-Q89 PolarHBondContact O-N 3.26Å; N86-Q90 WeakPolarHBondContact O-CB 3.31Å; N86-Q90 PolarHBondContact O-N 3.42Å
87L87.4Confident87.8Confident109 Ų10981.8 Ų81.857%0.57143%0.434SS*.Hα-helixtrans-64.8-38.6173.1-177.862.4000112.4G83 R84 Q90 K91G83-L87 WeakPolarHBondContact O-CB 3.44Å; G83-L87 PolarHBondContact O-N 3.47Å; R84-L87 PolarHBondContact O-N 2.87Å; L87-Q90 PolarHBondContact O-N 2.76Å; L87-K91 WeakPolarHBondContact O-CB 3.45Å; L87-K91 PolarHBondContact O-N 3.14Å
88I87.4Confident87Confident102 Ų10280.7 Ų80.752%0.52343%0.433SS..Hα-helixtrans-63.2-47.7173.4-68.4163.2000110.1R84 N85 Q90 K91 T92R84-I88 VanDerWaalsContact O-CG1 3.31Å; R84-I88 WeakPolarHBondContact O-CG1 3.46Å; R84-I88 PolarHBondContact O-N 3.35Å; N85-I88 PolarHBondContact O-N 3Å; I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 2.88Å; I88-K91 PolarHBondContact O-N 2.92Å; I88-T92 PolarHBondContact O-N 3.5Å; I88-T92 PolarHBondContact O-OG1 3.39Å; I88-T92 VanDerWaalsContact O-OG1 3.12Å
89Q86.6Confident86Confident125 Ų12582.7 Ų82.758%0.58444%0.443SS*.Hα-helixtrans-58.5-44175.9-73.2167.6-7.500112.1N85 N86 T92 A93N85-Q89 VanDerWaalsContact O-CG 3.28Å; N85-Q89 WeakPolarHBondContact O-CG 3.37Å; N85-Q89 PolarHBondContact O-N 2.93Å; N86-Q89 PolarHBondContact O-N 3.26Å; Q89-T92 PolarHBondContact O-N 3.09Å; Q89-A93 VanDerWaalsContact O-CB 3.31Å; Q89-A93 WeakPolarHBondContact O-CB 3.5Å; Q89-A93 PolarHBondContact O-N 3.08Å
90Q85.1Confident84.6Confident98 Ų9888.9 Ų88.946%0.45847%0.471SS..Hα-helixtrans-62.9-43.7177.7-168.3-176.774.100111.4D10 N86 L87 I88 A93 A94D10-Q90 PolarHBondContact OD2-NE2 3.22Å; N86-Q90 WeakPolarHBondContact O-CB 3.31Å; N86-Q90 PolarHBondContact O-N 3.42Å; L87-Q90 PolarHBondContact O-N 2.76Å; I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 2.88Å; Q90-A93 PolarHBondContact O-N 3.43Å; Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 2.94Å
91K87.4Confident83Confident164 Ų16491.6 Ų91.671%0.71349%0.485SS*.Hα-helixtrans-65.5-41.3175.7-172.4175179.9179.70112.4L87 I88 A95L87-K91 WeakPolarHBondContact O-CB 3.45Å; L87-K91 PolarHBondContact O-N 3.14Å; I88-K91 PolarHBondContact O-N 2.92Å; K91-A95 WeakPolarHBondContact O-CB 3.23Å; K91-A95 PolarHBondContact O-N 3.44Å
92T87.7Confident81.3Confident77 Ų7795.3 Ų95.347%0.47250%0.501SS..Hα-helixtrans-66.3-43.2176.4-61.20000111.6I88 Q89 A94 A95 M96I88-T92 PolarHBondContact O-N 3.5Å; I88-T92 PolarHBondContact O-OG1 3.39Å; I88-T92 VanDerWaalsContact O-OG1 3.12Å; Q89-T92 PolarHBondContact O-N 3.09Å; T92-A94 PolarHBondContact O-N 3.45Å; T92-A95 PolarHBondContact O-N 3.01Å; T92-M96 WeakPolarHBondContact O-CG 2.95Å; T92-M96 PolarHBondContact O-N 3.18Å
93A83.1Confident79.6Confident60 Ų60101 Ų10150%0.49652%0.523SS..Hα-helixtrans-62.4-42.8176.300000111.9Q89 Q90 M96 L97Q89-A93 VanDerWaalsContact O-CB 3.31Å; Q89-A93 WeakPolarHBondContact O-CB 3.5Å; Q89-A93 PolarHBondContact O-N 3.08Å; Q90-A93 PolarHBondContact O-N 3.43Å; A93-M96 PolarHBondContact O-N 3.49Å; A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 PolarHBondContact O-N 3.39Å
94A83Confident77.8Confident58 Ų58106.6 Ų106.648%0.47955%0.548SS..Hα-helixtrans-63-39.417400000112.5Q90 T92 L97 A98Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 2.94Å; T92-A94 PolarHBondContact O-N 3.45Å; A94-L97 PolarHBondContact O-N 3.26Å; A94-A98 WeakPolarHBondContact O-CB 3.35Å; A94-A98 PolarHBondContact O-N 3.16Å
95A81.6Confident75.7Confident59 Ų59107.2 Ų107.249%0.48856%0.555SS.*Hα-helixtrans-65.7-42.6175.900000112.3K91 T92 A98 Q99K91-A95 WeakPolarHBondContact O-CB 3.23Å; K91-A95 PolarHBondContact O-N 3.44Å; T92-A95 PolarHBondContact O-N 3.01Å; A95-A98 PolarHBondContact O-N 3.03Å; A95-Q99 WeakPolarHBondContact O-CB 2.88Å; A95-Q99 PolarHBondContact O-N 2.91Å
96M80.7Confident73.7Confident127 Ų127110 Ų11063%0.62658%0.577SS**Hα-helixtrans-65-39.7175.3-69.3-169.77600112.2T92 A93 Q99 Q100T92-M96 WeakPolarHBondContact O-CG 2.95Å; T92-M96 PolarHBondContact O-N 3.18Å; A93-M96 PolarHBondContact O-N 3.49Å; M96-Q99 PolarHBondContact O-N 2.91Å; M96-Q100 PolarHBondContact O-N 3.34Å
97L81.7Confident71.9Confident106 Ų106111 Ų11156%0.55559%0.594SS**Hα-helixtrans-64-42.2175.1-177.962.1000111.8A93 A94 Q100 M101A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 PolarHBondContact O-N 3.39Å; A94-L97 PolarHBondContact O-N 3.26Å; L97-Q100 PolarHBondContact O-N 2.99Å; L97-M101 WeakPolarHBondContact O-CG 3.39Å; L97-M101 PolarHBondContact O-N 2.67Å
98A74.6Confident69.8Low58 Ų58111.3 Ų111.348%0.47960%0.601SS.*Hα-helixtrans-62.5-42174.900000112A94 A95 Q100 M101 Q102A94-A98 WeakPolarHBondContact O-CB 3.35Å; A94-A98 PolarHBondContact O-N 3.16Å; A95-A98 PolarHBondContact O-N 3.03Å; A98-Q100 VanDerWaalsContact C-N 3.34Å; A98-Q100 PolarHBondContact O-N 3.35Å; A98-M101 PolarHBondContact O-N 2.79Å; A98-Q102 PolarHBondContact O-N 3.34Å
99Q71.1Confident67.7Low120 Ų120112.1 Ų112.156%0.56161%0.613SS**Hα-helixtrans-64.8-37175.5-168.1174.37.700112A95 M96 Q102A95-Q99 WeakPolarHBondContact O-CB 2.88Å; A95-Q99 PolarHBondContact O-N 2.91Å; M96-Q99 PolarHBondContact O-N 2.91Å; Q99-Q102 PolarHBondContact O-N 3.48Å
100Q62.8Low65.7Low129 Ų129113.6 Ų113.660%0.60362%0.624SS**Hα-helixtrans-65.6-38174.2-170.5177.24.200112.2M96 L97 A98 Q102 F103M96-Q100 PolarHBondContact O-N 3.34Å; L97-Q100 PolarHBondContact O-N 2.99Å; A98-Q100 VanDerWaalsContact C-N 3.34Å; A98-Q100 PolarHBondContact O-N 3.35Å; Q100-Q102 VanDerWaalsContact C-N 3.34Å; Q100-Q102 PolarHBondContact O-N 2.85Å; Q100-F103 PolarHBondContact O-N 3.07Å; Q100-F103 VanDerWaalsContact O-N 3.17Å
101M58.7Low63.8Low110 Ų110116.8 Ų116.854%0.54264%0.638SS.*Hα-helixtrans-67-31.5176.5-69.1-148.77500113.2L97 A98 F103 M104L97-M101 WeakPolarHBondContact O-CG 3.39Å; L97-M101 PolarHBondContact O-N 2.67Å; A98-M101 PolarHBondContact O-N 2.79Å; M101-F103 PolarHBondContact O-N 2.95Å; M101-M104 PolarHBondContact O-N 3.44Å; M101-M104 VanDerWaalsContact O-N 3.15Å
102Q56.1Low61.7Low164 Ų164114.7 Ų114.777%0.76664%0.642SS**Hα-helixtrans-64.3-20.1173.2-72.1-161.9-42.100113.5A98 Q99 Q100A98-Q102 PolarHBondContact O-N 3.34Å; Q99-Q102 PolarHBondContact O-N 3.48Å; Q100-Q102 VanDerWaalsContact C-N 3.34Å; Q100-Q102 PolarHBondContact O-N 2.85Å
103F55.4Low59.8Low176 Ų176117 Ų11777%0.77266%0.655SS**THydrogen-bonded Turntrans-91.9-2175.2-85.6-86.7000114.6Q100 M101Q100-F103 PolarHBondContact O-N 3.07Å; Q100-F103 VanDerWaalsContact O-N 3.17Å; M101-F103 PolarHBondContact O-N 2.95Å
104M52Low58.2Low130 Ų130118.9 Ų118.964%0.6466%0.663SS**SBendtrans-992.6176.7-68-145.8-60.300114.9M101 P106M101-M104 PolarHBondContact O-N 3.44Å; M101-M104 VanDerWaalsContact O-N 3.15Å; M104-P106 WeakPolarHBondContact O-CD 3.21Å
105F47.1Very low56.6Low173 Ų173122.5 Ų122.576%0.75968%0.679SS**  trans-116.686.2170.9-90.3-84.2000111.8G107F105-G107 PolarHBondContact O-N 3Å
106P48.6Very low54.7Low136 Ų136128.1 Ų128.188%0.88369%0.692SS**  trans-73.473.1163.432.2-33.8000109.6M104M104-P106 WeakPolarHBondContact O-CD 3.21Å
107G50.9Low53.3Low49 Ų49128.1 Ų128.151%0.50570%0.702SS.*  trans-162.2118.8-175.500000114.7F105F105-G107 PolarHBondContact O-N 3Å
108T44.4Very low51.5Low117 Ų117129.9 Ų129.972%0.71872%0.717SS**  trans53.6103.416458.40000118.8L110T108-L110 PolarHBondContact O-N 3Å
109P43.4Very low50Low119 Ų119130.3 Ų130.377%0.77373%0.727SS**  trans-78.794.316332.3-31.7000110.7
110L44.5Very low48.8Very low155 Ų155130.8 Ų130.881%0.81274%0.741SS**  trans-90.2107.6169.2-61.3-176000109.6T108T108-L110 PolarHBondContact O-N 3Å
111H44.5Very low47.6Very low165 Ų165129.5 Ų129.576%0.76475%0.752SS**PPolyproline II helixtrans-68.7134.4176.9-75.191000111.1V113H111-V113 PolarHBondContact O-N 3.44Å
112P44Very low46.5Very low121 Ų121133 Ų13379%0.78677%0.771SS**PPolyproline II helixtrans-71.5121.6169.229.4-32.3000110
113V47.4Very low45.4Very low124 Ų124128.1 Ų128.175%0.75277%0.765SS**PPolyproline II helixtrans-74.7130.9174.7178.30000109.5H111 T115H111-V113 PolarHBondContact O-N 3.44Å; V113-T115 PolarHBondContact O-N 3.25Å
114P49.5Very low44.4Very low101 Ų101125.5 Ų125.566%0.65676%0.763SS**  trans-74.5107.2174.129.5-33000110.7F116P114-F116 PolarHBondContact O-N 3.38Å
115T49.5Very low43.7Very low133 Ų133126.4 Ų126.482%0.81677%0.771SS**  trans-72.6113175-46.90000110.7V113V113-T115 PolarHBondContact O-N 3.25Å
116F40.9Very low43.1Very low177 Ų177124.5 Ų124.578%0.77677%0.774SS**  trans-73129.8171.8-72.7-94000110.7P114 V118P114-F116 PolarHBondContact O-N 3.38Å; F116-V118 PolarHBondContact O-N 3.3Å
117P52.1Low42.5Very low127 Ų127122.1 Ų122.183%0.82577%0.765SS**  trans-78.6115.5173.930.5-32.1000110.8
118V43.3Very low42.2Very low143 Ų143127.6 Ų127.687%0.86778%0.781SS**  trans-94105.7169.6-1800000108.9F116F116-V118 PolarHBondContact O-N 3.3Å
119G43.5Very low41.6Very low67 Ų67127.2 Ų127.269%0.69178%0.783SS**  trans-120121.8171.300000110.3
120P46.8Very low41.3Very low131 Ų131131.7 Ų131.785%0.85179%0.791SS**  trans-82.6130.6-179.431.6-32.8000111.8
121A36.4Very low41Very low101 Ų101128.3 Ų128.384%0.83579%0.785SS**  trans-140136166.200000109.8
122I36.5Very low41.3Very low183 Ų183125.2 Ų125.294%0.93878%0.78SS**  trans-103.6137-176.2-62.7167000108.4
123G33.6Very low40.7Very low62 Ų62129.1 Ų129.164%0.63978%0.78SS**  trans17065.9175.300000119
124T33.9Very low40.5Very low122 Ų122131.4 Ų131.475%0.74879%0.787SS**  trans40.4121.3142.752.50000122.6
125N36.2Very low40.1Very low148 Ų148130.7 Ų130.779%0.79179%0.79SS**  trans72.5145.6149.9-57-38.1000118
126T36Very low40.1Very low134 Ų134130.5 Ų130.582%0.82279%0.791SS**  cis-143.1173.47.1-22.60000111.2
127A35.6Very low40.2Very low86 Ų86128.4 Ų128.471%0.71179%0.793SS**  trans-62166.7173.500000112.3
128I43.4Very low40Very low164 Ų164129 Ų12984%0.84179%0.794SS**  -139144.456.6-66.3160.3000111.7
129S33.3Very low40.2Very low108 Ų108127.6 Ų127.676%0.75579%0.788SS**  trans-107.8133.7171.7-56.60000111.7
130F36.3Very low40Very low214 Ų214127.3 Ų127.394%0.93979%0.785SS**  trans-151.9142.3156.3-134.2-89000110.8
131A38Very low39.8Very low83 Ų83128.8 Ų128.869%0.68679%0.791SS**  trans-160.6175.8-17700000108.3
132P50.9Low39.7Very low100 Ų100126.9 Ų126.965%0.64978%0.782SS**  cis-121.7-176.3-8.740.2-26000112.2
133Y32.3Very low39.8Very low204 Ų204126.5 Ų126.580%0.878%0.78SS**  176.6153.4117.2-109.8-77.5000114
134L42.9Very low40.1Very low172 Ų172129.9 Ų129.990%0.90179%0.788SS**  trans69.8149.9169.3-59.9176.6000118
135A41Very low40.7Very low86 Ų86129.5 Ų129.571%0.71179%0.788SS**  trans-132.8171.4-172.200000110.9
136P48.4Very low40.6Very low128 Ų128128.1 Ų128.183%0.83179%0.785SS**  trans-111.1147.1139.5-726.9000111.7
137V44.2Very low40.5Very low134 Ų134129.1 Ų129.181%0.81278%0.78SS**  trans-97.5144.8176.4-70.80000111.8
138T46.5Very low40.5Very low138 Ų138131.1 Ų131.185%0.84778%0.778SS**  trans-140.4110174-48.40000111.5
139P47.5Very low40.1Very low115 Ų115131.2 Ų131.275%0.74778%0.779SS**  trans-107.5153.5154.9912.2000110.5
140G40.3Very low40.7Very low61 Ų61131.4 Ų131.463%0.62978%0.778SS**  cis120.3120.70.900000112.1
141V41.7Very low40.5Very low161 Ų161128.1 Ų128.198%0.97678%0.776SS**  trans56.1155.5176.3-58.90000117.5
142G34.9Very low40.5Very low62 Ų62130.4 Ų130.464%0.63978%0.781SS**  cis146.7131.4-13.500000113.9
143L37.8Very low40.2Very low175 Ų175131.1 Ų131.192%0.91679%0.785SS**  trans69.2155.3174.2-44.8176.6000114.6
144V40.2Very low40.6Very low133 Ų133128.1 Ų128.181%0.80679%0.788SS**  cis-140.5168.4-3.3-92.70000109.6
145P47.4Very low40.5Very low113 Ų113127.2 Ų127.273%0.73478%0.783SS**  trans-109.2173.2-17440.4-34.3000117.1
146T32.9Very low40.5Very low119 Ų119129.5 Ų129.573%0.7379%0.788SS**  trans93.8116.2159.3-27.30000117.8
147E34.4Very low40Very low155 Ų155129.2 Ų129.272%0.72479%0.786SS**  176.2150.2114-93.6-70.756.100116.3
148I35.5Very low39.6Very low128 Ų128126.4 Ų126.466%0.65678%0.784SS**  trans55103.4150.1-58.3162.8000122
149L36.2Very low39.3Very low166 Ų166125.1 Ų125.187%0.86978%0.781SS**  trans57.4169.8134.5-90.367.4000122.7
150P45.4Very low39Very low113 Ų113125.3 Ų125.373%0.73478%0.782SS**  trans-127.4141.1-156.940.8-25.4000116.4
151T31.7Very low38.9Very low145 Ų145128 Ų12889%0.8979%0.788SS**  trans-137.2143.5173.4-22.30000112.6
152T37.2Very low39Very low131 Ų131126.7 Ų126.780%0.80478%0.78SS**  trans-94.3-176.7-178.4590000111.1
153P46.4Very low39Very low114 Ų114129.8 Ų129.874%0.7479%0.787SS**  -115.1161.2-91.134.6-19.4000113.1
154V40.8Very low39.4Very low142 Ų142127.2 Ų127.286%0.86178%0.778SS**  trans-123.2133.6170-1780000110.2
155I40.4Very low39.6Very low153 Ų153126.2 Ų126.279%0.78578%0.775SS**  trans-95.2126.2-176.4-66.4163.4000109.7
156V41.5Very low38.9Very low134 Ų134124 Ų12481%0.81277%0.772SS**  trans-137.8129.6157-177.10000107.9
157P37.4Very low39Very low122 Ų122123.3 Ų123.379%0.79277%0.772SS**  trans-98.2156.3-17732.7-24.7000113.1
158G35.2Very low39.1Very low75 Ų75122.9 Ų122.977%0.77378%0.78SS**  trans137.457.8159.300000118.7
159S40.3Very low39.1Very low111 Ų111119.2 Ų119.278%0.77677%0.769SS**  trans-162.4143.9153.1-84.20000110.8
160P42Very low39.1Very low119 Ų119118 Ų11877%0.77377%0.769SS**PPolyproline II helixtrans-76125-175.929.4-33.5000111.7
161P38.4Very low38.8Very low118 Ų118118.8 Ų118.877%0.76676%0.763SS**PPolyproline II helixtrans-71.8133.8171.629.7-33.1000110.3T163P161-T163 PolarHBondContact O-N 2.97Å
162V42.3Very low39.3Very low132 Ų132121.4 Ų121.480%0.876%0.762SS**PPolyproline II helixtrans-65.6119.1171.3174.80000108.9V164V162-V164 PolarHBondContact O-N 3.21Å
163T35.2Very low39.7Very low128 Ų128120.7 Ų120.779%0.78575%0.752SS**  trans-68.189.7178.9-480000111.1P161 P165P161-T163 PolarHBondContact O-N 2.97Å; T163-P165 WeakPolarHBondContact O-CD 3.31Å
164V46Very low39.9Very low121 Ų121122 Ų12273%0.73375%0.753SS**  trans-66.9123.5160.5-71.80000108.6V162 G166V162-V164 PolarHBondContact O-N 3.21Å; V164-G166 PolarHBondContact O-N 3.32Å
165P44.1Very low41Very low112 Ų112124.2 Ų124.273%0.72775%0.745SS**  trans-66.3101.8177.9-23.635.8000110.7T163 S167T163-P165 WeakPolarHBondContact O-CD 3.31Å; P165-S167 VanDerWaalsContact C-N 3.3Å; P165-S167 PolarHBondContact O-N 3.3Å; P165-S167 PolarHBondContact O-OG 2.9Å
166G33.8Very low42.8Very low67 Ų67119 Ų11969%0.69172%0.721SS**  trans-61.189.6175.100000110.5V164 T168V164-G166 PolarHBondContact O-N 3.32Å; G166-T168 VanDerWaalsContact C-N 3.33Å; G166-T168 PolarHBondContact O-N 3.42Å
167S34.6Very low44.7Very low103 Ų103113.8 Ų113.872%0.7269%0.688SS**  trans-7586.9-176.4-66.30000109.7P165 A169P165-S167 VanDerWaalsContact C-N 3.3Å; P165-S167 PolarHBondContact O-N 3.3Å; P165-S167 PolarHBondContact O-OG 2.9Å; S167-A169 PolarHBondContact O-N 3.41Å
168T36.6Very low47.1Very low147 Ų147111.8 Ų111.890%0.90267%0.667SS**  trans-69.243.8168.7440000112.1G166G166-T168 VanDerWaalsContact C-N 3.33Å; G166-T168 PolarHBondContact O-N 3.42Å
169A35.7Very low49.7Very low50 Ų50108.8 Ų108.841%0.41363%0.633SS.*  trans-86.8114.2171.400000108.8S167 Q171S167-A169 PolarHBondContact O-N 3.41Å; A169-Q171 HydrophobicContact CB-CG 3.83Å; A169-Q171 PolarHBondContact O-N 2.93Å
170T36.3Very low52Low142 Ų142107.6 Ų107.687%0.87162%0.615SS**  trans-65.977.5159.737.10000108.8K172T170-K172 PolarHBondContact O-N 3.34Å
171Q40Very low54.4Low129 Ų129102.1 Ų102.160%0.60358%0.579SS**  trans-6675-174-76.5-67.9-11.400112.1A169 L173A169-Q171 HydrophobicContact CB-CG 3.83Å; A169-Q171 PolarHBondContact O-N 2.93Å; Q171-L173 PolarHBondContact O-N 3.28Å
172K40.3Very low56.9Low200 Ų20096.5 Ų96.587%0.8754%0.543SS*.  trans-71.373.9175.1-172.9-171.1176.6178.50110.2T170T170-K172 PolarHBondContact O-N 3.34Å
173L45.5Very low59.2Low115 Ų11596.7 Ų96.760%0.60253%0.529SS*.  trans51.394178.6-90.1162.1000113.5Q171 R175 A251Q171-L173 PolarHBondContact O-N 3.28Å; L173-R175 PolarHBondContact O-N 3.42Å; L173-A251 HydrophobicContact CD2-CB 4.24Å
174L52.1Low61.8Low143 Ų14394.7 Ų94.775%0.74951%0.511SS*.  trans-46.3111173.9-159.881.9000109.9T176L174-T176 PolarHBondContact O-N 3.47Å
175R64.1Low63.9Low188 Ų18892.9 Ų92.971%0.70949%0.493SS*.  trans-79.697.1-158.7-174.2131.8175.5170.8-3.4110.8L173 D177 K178L173-R175 PolarHBondContact O-N 3.42Å; R175-D177 HydrophobicContact CG-CB 3.69Å; R175-D177 IonicContact NE-OD1 3Å; R175-D177 PolarHBondContact NE-OD1 2.86Å; R175-D177 IonicContact NH2-OD1 2.69Å; R175-D177 PolarHBondContact O-N 3.17Å; R175-K178 PolarHBondContact O-N 2.99Å
176T77.4Confident66Low43 Ų4392.1 Ų92.126%0.26448%0.48SS..THydrogen-bonded Turntrans-5825.6177.4-174.80000116.4L174 A247 Q248L174-T176 PolarHBondContact O-N 3.47Å; T176-A247 WeakPolarHBondContact OG1-CB 3.34Å; T176-Q248 HydrophobicContact CG2-CG 3.55Å
177D82.2Confident68.6Low24 Ų2498.7 Ų98.713%0.12848%0.484CS..THydrogen-bonded Turntrans-120.1-23.5-172-169.5-168.2000110.7R175 V217 M219R175-D177 HydrophobicContact CG-CB 3.69Å; R175-D177 IonicContact NE-OD1 3Å; R175-D177 PolarHBondContact NE-OD1 2.86Å; R175-D177 IonicContact NH2-OD1 2.69Å; R175-D177 PolarHBondContact O-N 3.17Å; D177-V217 WeakPolarHBondContact O-CB 3.22Å; D177-V217 WeakPolarHBondContact O-CG2 3.42Å; D177-V217 PolarHBondContact O-N 3.39Å; D177-M219 HydrophobicContact CB-CE 4.3Å; D177-M219 HydrophobicContact CB-SD 4.45Å; D177-M219 WeakPolarHBondContact OD2-CE 3.31Å; D177-M219 VanDerWaalsContact OD2-CG 3.22Å; D177-M219 WeakPolarHBondContact OD2-CG 3.38Å
178K87.5Confident71.1Confident81 Ų8197 Ų9735%0.35248%0.483SS..EExtended strand (participates in β ladder)trans-86.6131.6168.7-80.3177.9165.9-105.70110.4R175 D209 D212 T214 V215R175-K178 PolarHBondContact O-N 2.99Å; K178-D209 IonicContact NZ-OD2 3.98Å; K178-D209 PolarHBondContact NZ-OD2 2.76Å; K178-D212 IonicContact NZ-OD2 2.67Å; K178-D212 PolarHBondContact NZ-OD2 3Å; K178-T214 HydrophobicContact CB-CG2 4.29Å; K178-T214 PolarHBondContact NZ-OG1 2.96Å; K178-V215 WeakPolarHBondContact CA-O 3.28Å
179L88.9Confident73.6Confident11 Ų1196 Ų966%0.05847%0.472CS..EExtended strand (participates in β ladder)trans-112.4137.9164.6-79.4179.7000109.8A200 T214 V215 V217 F234 P236 L240 I244L179-A200 HydrophobicContact CB-CB 4.13Å; L179-A200 HydrophobicContact CD1-CB 4.22Å; L179-T214 CarbonylContact O-C 3.48Å; L179-T214 WeakPolarHBondContact O-CA 3.3Å; L179-T214 WeakPolarHBondContact O-CB 3.34Å; L179-V215 HydrophobicContact CB-CG2 4.04Å; L179-V215 PolarHBondContact N-O 3.05Å; L179-V215 PolarHBondContact O-N 2.96Å; L179-V217 HydrophobicContact CB-CG2 4.35Å; L179-V217 HydrophobicContact CD1-CG2 3.78Å; L179-V217 HydrophobicContact CG-CG2 3.79Å; L179-F234 HydrophobicContact CD1-CD1 4.47Å; L179-F234 HydrophobicContact CD1-CE1 4.46Å; L179-P236 HydrophobicContact CD1-CB 4.16Å; L179-L240 HydrophobicContact CD1-CB 4.3Å; L179-L240 HydrophobicContact CD1-CD1 4.21Å; L179-I244 HydrophobicContact CD1-CD1 3.93Å; L179-I244 HydrophobicContact CD2-CD1 4.24Å; L179-I244 HydrophobicContact CD2-CG1 4.19Å; L179-I244 HydrophobicContact CG-CD1 4.1Å
180E90.2Very high76.2Confident87 Ų8794.7 Ų94.741%0.40746%0.46SS..EExtended strand (participates in β ladder)trans-73.3141.5170.3-175.5177.8-166.100111.2F199 A200E180-F199 HydrophobicContact CB-CD1 4.11Å; E180-F199 HydrophobicContact CG-CD1 4.07Å; E180-F199 HydrophobicContact CG-CE1 4.33Å; E180-F199 WeakPolarHBondContact O-CB 3.4Å; E180-F199 WeakPolarHBondContact OE2-CE1 3.41Å; E180-A200 PolarHBondContact O-N 3.32Å
181V91.4Very high78.6Confident3 Ų393 Ų932%0.01846%0.46CS..BIsolated β-bridgetrans-86.1142.9-179.4176.40000111.4R183 A200 P202 I208 N213 V215V181-R183 PolarHBondContact O-N 3.12Å; V181-A200 WeakPolarHBondContact CA-O 3.36Å; V181-P202 HydrophobicContact CG1-CG 4.02Å; V181-P202 HydrophobicContact CG2-CG 4.01Å; V181-I208 HydrophobicContact CG1-CD1 4.27Å; V181-I208 HydrophobicContact CG2-CD1 4.4Å; V181-I208 HydrophobicContact CG2-CG1 4.2Å; V181-I208 HydrophobicContact CG2-CG2 4.18Å; V181-N213 PolarHBondContact N-O 3.37Å; V181-V215 HydrophobicContact CG2-CG1 3.67Å; V181-V215 HydrophobicContact CG2-CG2 4.37Å
182C91.3Very high80.8Confident0 Ų094.4 Ų94.40%046%0.46CS..  trans-67.6112.9175.3179.80000111E184 F185 Q186 C197 F199 A200 H201C182-E184 VanDerWaalsContact C-N 3.26Å; C182-E184 PolarHBondContact O-N 2.9Å; C182-E184 PolarHBondContact SG-OE2 2.97Å; C182-F185 HydrophobicContact CB-CB 3.7Å; C182-F185 WeakPolarHBondContact O-CB 3.48Å; C182-F185 PolarHBondContact O-N 3.43Å; C182-F185 PolarHBondContact SG-N 3.48Å; C182-Q186 PolarHBondContact O-N 2.86Å; C182-C197 VanDerWaalsContact SG-SG 3.68Å; C182-F199 HydrophobicContact CB-CB 3.81Å; C182-A200 PolarHBondContact N-O 2.79Å; C182-H201 WeakPolarHBondContact CB-CD2 3.38Å; C182-H201 WeakPolarHBondContact CB-NE2 3.45Å
183R89.5Confident82.4Confident136 Ų13686.5 Ų86.551%0.51344%0.435SS..Hα-helixtrans-64.4-31.1177-73.6-178.6169.7153.41.9112.5V181 Q186 R187V181-R183 PolarHBondContact O-N 3.12Å; R183-Q186 PolarHBondContact O-N 2.97Å; R183-R187 PolarHBondContact O-N 3.25Å
184E90.7Very high84Confident87 Ų8785.4 Ų85.441%0.40743%0.427SS..Hα-helixtrans-69.4-36.8176-57.266.3-141.500110.7C182 R187 G188 N189 C190C182-E184 VanDerWaalsContact C-N 3.26Å; C182-E184 PolarHBondContact O-N 2.9Å; C182-E184 PolarHBondContact SG-OE2 2.97Å; E184-R187 PolarHBondContact O-N 3.37Å; E184-G188 PolarHBondContact O-N 3.28Å; E184-G188 VanDerWaalsContact O-N 3.16Å; E184-N189 PolarHBondContact O-N 3.05Å; E184-C190 HydrophobicContact CB-CB 3.89Å; E184-C190 PolarHBondContact O-N 3.16Å
185F89.3Confident85.2Confident82 Ų8282.8 Ų82.836%0.3642%0.417SS..Hα-helixtrans-70.1-41.1175.7179.9-102.3000110.9C182 R187 G188 C190 H201C182-F185 HydrophobicContact CB-CB 3.7Å; C182-F185 WeakPolarHBondContact O-CB 3.48Å; C182-F185 PolarHBondContact O-N 3.43Å; C182-F185 PolarHBondContact SG-N 3.48Å; F185-R187 PolarHBondContact O-N 2.8Å; F185-R187 VanDerWaalsContact O-N 3.11Å; F185-G188 PolarHBondContact O-N 3.47Å; F185-C190 HydrophobicContact CB-CB 3.84Å; F185-H201 HydrophobicContact CD1-CB 3.97Å; F185-H201 HydrophobicContact CD2-CB 4.21Å; F185-H201 AromaticContact CD2-CE1 3.72Å; F185-H201 AromaticContact CD2-CG 3.7Å; F185-H201 AromaticContact CD2-ND1 3.36Å; F185-H201 WeakPolarHBondContact CD2-ND1 3.33Å; F185-H201 HydrophobicContact CE1-CB 3.95Å; F185-H201 HydrophobicContact CE2-CB 4.19Å; F185-H201 AromaticContact CE2-ND1 3.78Å; F185-H201 HydrophobicContact CG-CB 4.1Å; F185-H201 AromaticContact CG-CD2 3.83Å; F185-H201 AromaticContact CG-CG 3.64Å; F185-H201 AromaticContact CG-ND1 3.76Å; F185-H201 HydrophobicContact CZ-CB 4.06Å
186Q88.4Confident86Confident96 Ų9679.5 Ų79.545%0.44941%0.413SS..Hα-helixtrans-62.5-15.5174.3-158.3179.728.100113.4C182 R183C182-Q186 PolarHBondContact O-N 2.86Å; R183-Q186 PolarHBondContact O-N 2.97Å
187R88.5Confident86.6Confident205 Ų20577.4 Ų77.477%0.77440%0.401SS*.THydrogen-bonded Turntrans-103-3.3169.6-62.9-165.7-168.6-66.92114.6R183 E184 F185 N189R183-R187 PolarHBondContact O-N 3.25Å; E184-R187 PolarHBondContact O-N 3.37Å; F185-R187 PolarHBondContact O-N 2.8Å; F185-R187 VanDerWaalsContact O-N 3.11Å; R187-N189 PolarHBondContact O-OD1 3.1Å
188G86.5Confident86.8Confident68 Ų6884.4 Ų84.470%0.70143%0.425SS*.THydrogen-bonded Turntrans81.510.9-176.800000115.4E184 F185E184-G188 PolarHBondContact O-N 3.28Å; E184-G188 VanDerWaalsContact O-N 3.16Å; F185-G188 PolarHBondContact O-N 3.47Å
189N90.1Very high86.8Confident125 Ų12583.3 Ų83.367%0.66842%0.421SS*.  trans-1084.6-174.1-62.8109.7000115.1E184 R187 A191E184-N189 PolarHBondContact O-N 3.05Å; R187-N189 PolarHBondContact O-OD1 3.1Å; N189-A191 PolarHBondContact O-N 3.09Å
190C89.5Confident86.9Confident23 Ų2382.8 Ų82.816%0.15542%0.418CS..  trans-76.592.2-178.5-1700000113.1E184 F185 R192 H201E184-C190 HydrophobicContact CB-CB 3.89Å; E184-C190 PolarHBondContact O-N 3.16Å; F185-C190 HydrophobicContact CB-CB 3.84Å; C190-R192 PolarHBondContact O-N 3.46Å; C190-H201 PolarHBondContact SG-CE1 3.17Å; C190-H201 PolarHBondContact SG-NE2 3.29Å; C190-H201 VanDerWaalsContact SG-NE2 3.42Å
191A87.1Confident86.8Confident106 Ų10679.1 Ų79.188%0.87640%0.401SS*.THydrogen-bonded Turntrans-68.41.9176.300000115.4N189N189-A191 PolarHBondContact O-N 3.09Å
192R85.3Confident86.6Confident160 Ų16079.2 Ų79.260%0.60440%0.401SS*.THydrogen-bonded Turntrans-95.8-2.6-175.8-58.3-178.8-169.8138.55.9114.4C190 C197C190-R192 PolarHBondContact O-N 3.46Å; R192-C197 HydrophobicContact CB-CB 4.5Å
193G75.6Confident85.9Confident33 Ų3383.7 Ų83.734%0.3444%0.438SS..Hα-helixtrans63.8177.1-178.200000113.9T195 C197 H201G193-T195 VanDerWaalsContact C-N 3.35Å; G193-C197 VanDerWaalsContact O-CB 3.3Å; G193-C197 WeakPolarHBondContact O-CB 3.49Å; G193-H201 VanDerWaalsContact C-CE1 3.46Å; G193-H201 PolarHBondContact O-CE1 2.98Å; G193-H201 PolarHBondContact O-ND1 3.21Å
194E78Confident85.3Confident92 Ų9281.6 Ų81.643%0.4344%0.438SS..Hα-helixtrans-74.3-25.7176.5170.8170.9-161.800112.6H201 P237E194-H201 HydrophobicContact CB-CB 4.23Å; E194-H201 HydrophobicContact CG-CB 4.36Å; E194-P237 HydrophobicContact CG-CG 3.31Å; E194-P237 VanDerWaalsContact OE1-CG 3.31Å; E194-P237 WeakPolarHBondContact OE1-CG 3.47Å
195T76.9Confident84.4Confident89 Ų8981.7 Ų81.755%0.54645%0.448SS..Hα-helixtrans-69.3-46.1-177.245.70000113.2G193 H239G193-T195 VanDerWaalsContact C-N 3.35Å; T195-H239 WeakPolarHBondContact O-CB 3.42Å; T195-H239 PolarHBondContact O-ND1 2.96Å
196D82.6Confident83.7Confident118 Ų11883.9 Ų83.963%0.63147%0.468SS*.Hα-helixtrans-113.21.2-165.8-60.3-85.5000113.5
197C88.8Confident83Confident0 Ų082.5 Ų82.50%046%0.462CS..  trans-69147.5173-164.80000112.5C182 R192 G193 F199 H201 H239C182-C197 VanDerWaalsContact SG-SG 3.68Å; R192-C197 HydrophobicContact CB-CB 4.5Å; G193-C197 VanDerWaalsContact O-CB 3.3Å; G193-C197 WeakPolarHBondContact O-CB 3.49Å; C197-F199 VanDerWaalsContact C-N 3.26Å; C197-F199 PolarHBondContact O-N 3.48Å; C197-H201 VanDerWaalsContact CB-NE2 3.34Å; C197-H201 WeakPolarHBondContact CB-NE2 3.24Å; C197-H201 PolarHBondContact SG-NE2 3.31Å; C197-H239 PolarHBondContact O-CE1 3.46Å; C197-H239 VanDerWaalsContact O-CE1 3.25Å; C197-H239 PolarHBondContact O-ND1 3.44Å
198R86.1Confident82.8Confident170 Ų17073.9 Ų73.964%0.64243%0.431SS*.SBendtrans-73.3-19.1177.6-174.467.2167.9-149.7-5.7112.9K243R198-K243 PolarHBondContact O-NZ 3.37Å
199F88.8Confident82.8Confident59 Ų5973.6 Ų73.626%0.25941%0.414SS..SBendtrans-127.2163.4-168.8-55-75.7000110.4E180 C182 C197E180-F199 HydrophobicContact CB-CD1 4.11Å; E180-F199 HydrophobicContact CG-CD1 4.07Å; E180-F199 HydrophobicContact CG-CE1 4.33Å; E180-F199 WeakPolarHBondContact O-CB 3.4Å; E180-F199 WeakPolarHBondContact OE2-CE1 3.41Å; C182-F199 HydrophobicContact CB-CB 3.81Å; C197-F199 VanDerWaalsContact C-N 3.26Å; C197-F199 PolarHBondContact O-N 3.48Å
200A89.3Confident82.5Confident0 Ų073.6 Ų73.60%042%0.418CS..BIsolated β-bridgetrans-73142.7-179.600000112.6L179 E180 V181 C182 P202 V215 F234L179-A200 HydrophobicContact CB-CB 4.13Å; L179-A200 HydrophobicContact CD1-CB 4.22Å; E180-A200 PolarHBondContact O-N 3.32Å; V181-A200 WeakPolarHBondContact CA-O 3.36Å; C182-A200 PolarHBondContact N-O 2.79Å; A200-P202 WeakPolarHBondContact O-CD 3.35Å; A200-V215 HydrophobicContact CB-CG2 3.69Å; A200-F234 HydrophobicContact CB-CD1 4.39Å; A200-F234 HydrophobicContact CB-CE1 3.84Å; A200-F234 HydrophobicContact CB-CZ 4.35Å
201H89.2Confident82.1Confident9 Ų976.8 Ų76.84%0.04244%0.441CS..  trans-112.282.7170-72.2-165.4000109C182 F185 C190 G193 E194 C197 A203C182-H201 WeakPolarHBondContact CB-CD2 3.38Å; C182-H201 WeakPolarHBondContact CB-NE2 3.45Å; F185-H201 HydrophobicContact CD1-CB 3.97Å; F185-H201 HydrophobicContact CD2-CB 4.21Å; F185-H201 AromaticContact CD2-CE1 3.72Å; F185-H201 AromaticContact CD2-CG 3.7Å; F185-H201 AromaticContact CD2-ND1 3.36Å; F185-H201 WeakPolarHBondContact CD2-ND1 3.33Å; F185-H201 HydrophobicContact CE1-CB 3.95Å; F185-H201 HydrophobicContact CE2-CB 4.19Å; F185-H201 AromaticContact CE2-ND1 3.78Å; F185-H201 HydrophobicContact CG-CB 4.1Å; F185-H201 AromaticContact CG-CD2 3.83Å; F185-H201 AromaticContact CG-CG 3.64Å; F185-H201 AromaticContact CG-ND1 3.76Å; F185-H201 HydrophobicContact CZ-CB 4.06Å; C190-H201 PolarHBondContact SG-CE1 3.17Å; C190-H201 PolarHBondContact SG-NE2 3.29Å; C190-H201 VanDerWaalsContact SG-NE2 3.42Å; G193-H201 VanDerWaalsContact C-CE1 3.46Å; G193-H201 PolarHBondContact O-CE1 2.98Å; G193-H201 PolarHBondContact O-ND1 3.21Å; E194-H201 HydrophobicContact CB-CB 4.23Å; E194-H201 HydrophobicContact CG-CB 4.36Å; C197-H201 VanDerWaalsContact CB-NE2 3.34Å; C197-H201 WeakPolarHBondContact CB-NE2 3.24Å; C197-H201 PolarHBondContact SG-NE2 3.31Å; H201-A203 PolarHBondContact O-N 3.28Å
202P86.2Confident81.8Confident5 Ų576.1 Ų76.13%0.03242%0.423CS..  trans-72.2121.5174.529.9-32.6000110V181 A200 D204 I208 V215V181-P202 HydrophobicContact CG1-CG 4.02Å; V181-P202 HydrophobicContact CG2-CG 4.01Å; A200-P202 WeakPolarHBondContact O-CD 3.35Å; P202-D204 VanDerWaalsContact C-N 3.28Å; P202-D204 PolarHBondContact O-N 3.16Å; P202-I208 HydrophobicContact CG-CD1 3.85Å; P202-I208 HydrophobicContact CG-CG1 3.83Å; P202-V215 HydrophobicContact CB-CG1 4.03Å; P202-V215 HydrophobicContact CG-CG1 3.96Å
203A78.3Confident81.9Confident94 Ų9470.2 Ų70.278%0.77740%0.403SS*.SBendtrans-63.2-37.3171.600000111.7H201H201-A203 PolarHBondContact O-N 3.28Å
204D76.8Confident82.5Confident93 Ų9369.4 Ų69.450%0.49739%0.392SS..  trans-93.799.4175.9-68.9-50.2000111.2P202 T206 M207P202-D204 VanDerWaalsContact C-N 3.28Å; P202-D204 PolarHBondContact O-N 3.16Å; D204-T206 PolarHBondContact O-N 3.07Å; D204-M207 HydrophobicContact CB-CE 4.08Å; D204-M207 HydrophobicContact CB-CG 4.15Å; D204-M207 PolarHBondContact O-N 2.88Å
205S71.3Confident83.1Confident88 Ų8865 Ų6562%0.61537%0.371SS*.G310 helixtrans-57.9-16.1174.6-62.80000114.1M207 I208S205-M207 PolarHBondContact O-N 3.42Å; S205-I208 WeakPolarHBondContact O-CG1 3.14Å; S205-I208 PolarHBondContact O-N 2.88Å
206T74.3Confident83.7Confident129 Ų12963.5 Ų63.579%0.79136%0.362SS*.G310 helixtrans-70.7-13175.455.30000113.9D204D204-T206 PolarHBondContact O-N 3.07Å
207M75Confident84.2Confident66 Ų6658 Ų5833%0.32533%0.333SS..G310 helixtrans-91.20.1175.7-57.8-166.1-16800113.7D204 S205D204-M207 HydrophobicContact CB-CE 4.08Å; D204-M207 HydrophobicContact CB-CG 4.15Å; D204-M207 PolarHBondContact O-N 2.88Å; S205-M207 PolarHBondContact O-N 3.42Å
208I84.3Confident84.3Confident25 Ų2558.3 Ų58.313%0.12834%0.335CS..EExtended strand (participates in β ladder)trans-88.1128.2-177.5-52174.9000110.2V181 P202 S205 T210 V215V181-I208 HydrophobicContact CG1-CD1 4.27Å; V181-I208 HydrophobicContact CG2-CD1 4.4Å; V181-I208 HydrophobicContact CG2-CG1 4.2Å; V181-I208 HydrophobicContact CG2-CG2 4.18Å; P202-I208 HydrophobicContact CG-CD1 3.85Å; P202-I208 HydrophobicContact CG-CG1 3.83Å; S205-I208 WeakPolarHBondContact O-CG1 3.14Å; S205-I208 PolarHBondContact O-N 2.88Å; I208-T210 PolarHBondContact O-N 3.02Å; I208-V215 HydrophobicContact CG1-CG1 4.03Å
209D84.9Confident84.5Confident61 Ų6152.1 Ų52.133%0.32631%0.314SS..EExtended strand (participates in β ladder)trans-77.7105.7166.9-176-12.2000109.3K178 S211 D212 N213 T214K178-D209 IonicContact NZ-OD2 3.98Å; K178-D209 PolarHBondContact NZ-OD2 2.76Å; D209-S211 PolarHBondContact O-N 2.88Å; D209-S211 WeakPolarHBondContact OD1-CB 3.5Å; D209-S211 PolarHBondContact OD1-N 3.48Å; D209-S211 VanDerWaalsContact OD1-N 3.15Å; D209-S211 PolarHBondContact OD1-OG 3.25Å; D209-D212 PolarHBondContact O-N 3.11Å; D209-N213 VanDerWaalsContact O-CA 3.24Å; D209-N213 WeakPolarHBondContact O-CA 3.43Å; D209-N213 PolarHBondContact O-N 3Å; D209-T214 WeakPolarHBondContact CB-O 3.43Å; D209-T214 PolarHBondContact N-O 2.81Å; D209-T214 PolarHBondContact O-N 2.93Å
210T83.5Confident84.7Confident125 Ų12552.3 Ų52.377%0.76732%0.317SS*.THydrogen-bonded Turntrans-59.8-24.3-177.4-51.10000113.3I208I208-T210 PolarHBondContact O-N 3.02Å
211S82.3Confident84.9Confident91 Ų9156 Ų5664%0.63633%0.332SS*.THydrogen-bonded Turntrans-69.2-49.9-17966.70000112D209D209-S211 PolarHBondContact O-N 2.88Å; D209-S211 WeakPolarHBondContact OD1-CB 3.5Å; D209-S211 PolarHBondContact OD1-N 3.48Å; D209-S211 VanDerWaalsContact OD1-N 3.15Å; D209-S211 PolarHBondContact OD1-OG 3.25Å
212D81.4Confident85Confident92 Ų9255.9 Ų55.949%0.49233%0.331SS..THydrogen-bonded Turntrans-98.3-12.3-177.8-74.7-26.5000113.6K178 D209 T214K178-D212 IonicContact NZ-OD2 2.67Å; K178-D212 PolarHBondContact NZ-OD2 3Å; D209-D212 PolarHBondContact O-N 3.11Å; D212-T214 HydrophobicContact CB-CG2 3.86Å; D212-T214 VanDerWaalsContact CB-OG1 3.31Å; D212-T214 WeakPolarHBondContact CB-OG1 3.14Å; D212-T214 PolarHBondContact O-N 3.02Å
213N86.4Confident85.1Confident36 Ų3660.8 Ų60.819%0.19335%0.352CS..THydrogen-bonded Turntrans54.639-163.4-66.4-107.9000112.5V181 D209V181-N213 PolarHBondContact N-O 3.37Å; D209-N213 VanDerWaalsContact O-CA 3.24Å; D209-N213 WeakPolarHBondContact O-CA 3.43Å; D209-N213 PolarHBondContact O-N 3Å
214T88.9Confident85.7Confident16 Ų1659.7 Ų59.710%0.09835%0.35CS..EExtended strand (participates in β ladder)trans-113.6150.2179.754.70000112.6K178 L179 D209 D212K178-T214 HydrophobicContact CB-CG2 4.29Å; K178-T214 PolarHBondContact NZ-OG1 2.96Å; L179-T214 CarbonylContact O-C 3.48Å; L179-T214 WeakPolarHBondContact O-CA 3.3Å; L179-T214 WeakPolarHBondContact O-CB 3.34Å; D209-T214 WeakPolarHBondContact CB-O 3.43Å; D209-T214 PolarHBondContact N-O 2.81Å; D209-T214 PolarHBondContact O-N 2.93Å; D212-T214 HydrophobicContact CB-CG2 3.86Å; D212-T214 VanDerWaalsContact CB-OG1 3.31Å; D212-T214 WeakPolarHBondContact CB-OG1 3.14Å; D212-T214 PolarHBondContact O-N 3.02Å
215V90.1Very high86.3Confident0 Ų063.1 Ų63.10%036%0.356CS..EExtended strand (participates in β ladder)trans-106.6144167.7-690000110.1K178 L179 V181 A200 P202 I208 F234K178-V215 WeakPolarHBondContact CA-O 3.28Å; L179-V215 HydrophobicContact CB-CG2 4.04Å; L179-V215 PolarHBondContact N-O 3.05Å; L179-V215 PolarHBondContact O-N 2.96Å; V181-V215 HydrophobicContact CG2-CG1 3.67Å; V181-V215 HydrophobicContact CG2-CG2 4.37Å; A200-V215 HydrophobicContact CB-CG2 3.69Å; P202-V215 HydrophobicContact CB-CG1 4.03Å; P202-V215 HydrophobicContact CG-CG1 3.96Å; I208-V215 HydrophobicContact CG1-CG1 4.03Å; V215-F234 HydrophobicContact CB-CB 4.41Å; V215-F234 HydrophobicContact CG2-CB 4.33Å; V215-F234 HydrophobicContact CG2-CD1 4.06Å; V215-F234 HydrophobicContact CG2-CG 4.27Å
216T90.5Very high87.4Confident57 Ų5760.2 Ų60.235%0.3534%0.335SS..EExtended strand (participates in β ladder)trans-87.9127.4174.4-590000109.9Y233 F234T216-Y233 HydrophobicContact CG2-CD1 3.79Å; T216-Y233 HydrophobicContact CG2-CE1 4.16Å; T216-F234 PolarHBondContact O-N 2.91Å
217V91.7Very high88.1Confident2 Ų262.2 Ų62.21%0.01234%0.338CS..BIsolated β-bridgetrans-84.8146.8-176.5173.80000111.5D177 L179 M219 I222 P236 I244D177-V217 WeakPolarHBondContact O-CB 3.22Å; D177-V217 WeakPolarHBondContact O-CG2 3.42Å; D177-V217 PolarHBondContact O-N 3.39Å; L179-V217 HydrophobicContact CB-CG2 4.35Å; L179-V217 HydrophobicContact CD1-CG2 3.78Å; L179-V217 HydrophobicContact CG-CG2 3.79Å; V217-M219 HydrophobicContact CB-CE 3.94Å; V217-M219 HydrophobicContact CG1-CE 3.78Å; V217-M219 PolarHBondContact O-N 2.93Å; V217-I222 HydrophobicContact CG1-CD1 3.9Å; V217-I222 HydrophobicContact CG1-CG1 3.62Å; V217-P236 HydrophobicContact CG1-CG 3.79Å; V217-P236 HydrophobicContact CG2-CG 4.43Å; V217-I244 HydrophobicContact CG1-CD1 4.07Å; V217-I244 HydrophobicContact CG2-CD1 3.94Å
218C92.1Very high88.9Confident7 Ų767.8 Ų67.85%0.04736%0.355CS..  trans-72.696.1167.9-169.60000110.7D220 Y221 I222 C231 F234 H235C218-D220 PolarHBondContact O-N 3.21Å; C218-D220 VanDerWaalsContact O-N 3.16Å; C218-Y221 WeakPolarHBondContact O-CA 3.49Å; C218-Y221 WeakPolarHBondContact O-CB 3.44Å; C218-Y221 PolarHBondContact O-N 2.88Å; C218-Y221 PolarHBondContact SG-N 3.46Å; C218-I222 PolarHBondContact O-N 3.37Å; C218-I222 VanDerWaalsContact O-N 3.08Å; C218-C231 VanDerWaalsContact SG-SG 3.6Å; C218-F234 PolarHBondContact N-O 3.42Å; C218-H235 VanDerWaalsContact CB-CD2 3.45Å; C218-H235 WeakPolarHBondContact CB-CD2 3.46Å
219M90.4Very high88.9Confident40 Ų4075.2 Ų75.220%0.19739%0.389CS..Hα-helixtrans-53.7-33.9174-73.3-67.6101.900113.2D177 V217 I222 K223 I244 Q248D177-M219 HydrophobicContact CB-CE 4.3Å; D177-M219 HydrophobicContact CB-SD 4.45Å; D177-M219 WeakPolarHBondContact OD2-CE 3.31Å; D177-M219 VanDerWaalsContact OD2-CG 3.22Å; D177-M219 WeakPolarHBondContact OD2-CG 3.38Å; V217-M219 HydrophobicContact CB-CE 3.94Å; V217-M219 HydrophobicContact CG1-CE 3.78Å; V217-M219 PolarHBondContact O-N 2.93Å; M219-I222 HydrophobicContact CE-CG1 3.94Å; M219-I222 PolarHBondContact O-N 3.35Å; M219-K223 WeakPolarHBondContact O-CE 3.46Å; M219-K223 WeakPolarHBondContact O-CG 3.37Å; M219-K223 PolarHBondContact O-N 3.45Å; M219-K223 VanDerWaalsContact O-N 3.09Å; M219-I244 HydrophobicContact CE-CG2 4.14Å; M219-Q248 PolarHBondContact SD-NE2 3.4Å
220D91.9Very high88.9Confident62 Ų6282.1 Ų82.133%0.33242%0.416SS..Hα-helixtrans-74.2-24.6176.1-74.6-52.2000113.7C218 K223 G224 R225 C226C218-D220 PolarHBondContact O-N 3.21Å; C218-D220 VanDerWaalsContact O-N 3.16Å; D220-K223 PolarHBondContact O-N 2.97Å; D220-K223 WeakPolarHBondContact OD1-CE 3.49Å; D220-K223 IonicContact OD1-NZ 3.01Å; D220-K223 PolarHBondContact OD1-NZ 2.98Å; D220-K223 IonicContact OD2-NZ 3.25Å; D220-G224 PolarHBondContact O-N 3.49Å; D220-R225 HydrophobicContact CB-CB 4.33Å; D220-R225 CarbonylContact O-C 3.46Å; D220-R225 WeakPolarHBondContact O-CA 3.42Å; D220-R225 PolarHBondContact O-N 3.39Å; D220-R225 IonicContact OD1-CZ 2.76Å; D220-R225 VanDerWaalsContact OD1-CZ 3.25Å; D220-R225 IonicContact OD1-NE 2.73Å; D220-R225 PolarHBondContact OD1-NE 3.36Å; D220-R225 IonicContact OD1-NH2 3.46Å; D220-R225 PolarHBondContact OD1-NH2 2.72Å; D220-C226 HydrophobicContact CB-CB 4.28Å; D220-C226 PolarHBondContact O-N 2.92Å
221Y93.3Very high89.2Confident79 Ų7977.1 Ų77.131%0.3139%0.386SS..Hα-helixtrans-70.3-44.8167.9-177-106.4000111.2C218 K223 G224 C226 H235 Q241C218-Y221 WeakPolarHBondContact O-CA 3.49Å; C218-Y221 WeakPolarHBondContact O-CB 3.44Å; C218-Y221 PolarHBondContact O-N 2.88Å; C218-Y221 PolarHBondContact SG-N 3.46Å; Y221-K223 PolarHBondContact O-N 3.23Å; Y221-G224 PolarHBondContact O-N 2.93Å; Y221-C226 HydrophobicContact CD2-CB 4.45Å; Y221-H235 HydrophobicContact CD1-CB 3.86Å; Y221-H235 AromaticContact CD1-CG 3.89Å; Y221-H235 HydrophobicContact CD2-CB 4.42Å; Y221-H235 AromaticContact CD2-CD2 3.99Å; Y221-H235 AromaticContact CD2-CE1 3.68Å; Y221-H235 AromaticContact CD2-CG 3.79Å; Y221-H235 AromaticContact CD2-ND1 3.6Å; Y221-H235 AromaticContact CD2-NE2 3.91Å; Y221-H235 HydrophobicContact CE1-CB 3.78Å; Y221-H235 HydrophobicContact CE2-CB 4.36Å; Y221-H235 AromaticContact CE2-ND1 3.79Å; Y221-H235 HydrophobicContact CG-CB 4.18Å; Y221-H235 AromaticContact CG-CD2 3.61Å; Y221-H235 AromaticContact CG-CG 3.69Å; Y221-H235 AromaticContact CG-ND1 3.99Å; Y221-H235 AromaticContact CG-NE2 3.84Å; Y221-Q241 VanDerWaalsContact CE1-NE2 3.35Å
222I90.8Very high89.4Confident6 Ų680.8 Ų80.83%0.03139%0.391CS..Hα-helixtrans-53.9-37.8172.9-62.1-55.9000111.8V217 C218 M219 P236 Q241 I244 K245V217-I222 HydrophobicContact CG1-CD1 3.9Å; V217-I222 HydrophobicContact CG1-CG1 3.62Å; C218-I222 PolarHBondContact O-N 3.37Å; C218-I222 VanDerWaalsContact O-N 3.08Å; M219-I222 HydrophobicContact CE-CG1 3.94Å; M219-I222 PolarHBondContact O-N 3.35Å; I222-P236 HydrophobicContact CD1-CG 3.68Å; I222-Q241 HydrophobicContact CD1-CB 4.2Å; I222-Q241 HydrophobicContact CD1-CG 3.83Å; I222-I244 HydrophobicContact CD1-CD1 3.98Å; I222-I244 HydrophobicContact CD1-CG2 4.41Å; I222-I244 HydrophobicContact CG1-CG2 4.28Å; I222-I244 HydrophobicContact CG2-CG2 4.18Å; I222-K245 HydrophobicContact CG2-CD 4.47Å; I222-K245 HydrophobicContact CG2-CG 3.87Å; I222-K245 WeakPolarHBondContact O-CE 3.44Å; I222-K245 PolarHBondContact O-NZ 3.28Å
223K89.1Confident89.8Confident108 Ų10881.5 Ų81.547%0.4739%0.387SS..THydrogen-bonded Turntrans-85.43177.7-68172.6-70.7170.30114.7M219 D220 Y221 R225M219-K223 WeakPolarHBondContact O-CE 3.46Å; M219-K223 WeakPolarHBondContact O-CG 3.37Å; M219-K223 PolarHBondContact O-N 3.45Å; M219-K223 VanDerWaalsContact O-N 3.09Å; D220-K223 PolarHBondContact O-N 2.97Å; D220-K223 WeakPolarHBondContact OD1-CE 3.49Å; D220-K223 IonicContact OD1-NZ 3.01Å; D220-K223 PolarHBondContact OD1-NZ 2.98Å; D220-K223 IonicContact OD2-NZ 3.25Å; Y221-K223 PolarHBondContact O-N 3.23Å; K223-R225 VanDerWaalsContact C-N 3.34Å; K223-R225 HydrophobicContact CB-CG 4.23Å; K223-R225 WeakPolarHBondContact O-CG 3.49Å; K223-R225 PolarHBondContact O-N 2.96Å
224G90.2Very high90.1Very high71 Ų7180.8 Ų80.873%0.73238%0.382SS*.THydrogen-bonded Turntrans68.925.2-18000000115D220 Y221D220-G224 PolarHBondContact O-N 3.49Å; Y221-G224 PolarHBondContact O-N 2.93Å
225R90.9Very high90.2Very high165 Ų16582.4 Ų82.462%0.62339%0.389SS*.  trans-114.8-11-178.1-48.8-166.1-55.2176.78.6114.1D220 K223D220-R225 HydrophobicContact CB-CB 4.33Å; D220-R225 CarbonylContact O-C 3.46Å; D220-R225 WeakPolarHBondContact O-CA 3.42Å; D220-R225 PolarHBondContact O-N 3.39Å; D220-R225 IonicContact OD1-CZ 2.76Å; D220-R225 VanDerWaalsContact OD1-CZ 3.25Å; D220-R225 IonicContact OD1-NE 2.73Å; D220-R225 PolarHBondContact OD1-NE 3.36Å; D220-R225 IonicContact OD1-NH2 3.46Å; D220-R225 PolarHBondContact OD1-NH2 2.72Å; K223-R225 VanDerWaalsContact C-N 3.34Å; K223-R225 HydrophobicContact CB-CG 4.23Å; K223-R225 WeakPolarHBondContact O-CG 3.49Å; K223-R225 PolarHBondContact O-N 2.96Å
226C92.7Very high90.1Very high26 Ų2682.5 Ų82.518%0.17639%0.389CS..  trans-85.1125.5173.2-169.40000110.1D220 Y221 H235D220-C226 HydrophobicContact CB-CB 4.28Å; D220-C226 PolarHBondContact O-N 2.92Å; Y221-C226 HydrophobicContact CD2-CB 4.45Å; C226-H235 PolarHBondContact SG-NE2 3.45Å; C226-H235 VanDerWaalsContact SG-NE2 3.42Å
227M89.7Confident90.1Very high172 Ų17281 Ų8185%0.84738%0.38SS*.  trans-127.736.8177.155.2172.358.100110.7
228R92.6Very high89.9Confident182 Ų18284.5 Ų84.569%0.68741%0.41SS*.  trans-112.1113.1178.3-69.3-177.3177.5128.6-2.3109.5K230 H235R228-K230 VanDerWaalsContact C-N 3.35Å; R228-K230 PolarHBondContact O-N 3.23Å; R228-H235 PolarHBondContact O-CE1 2.92Å
229E83.3Confident89.8Confident182 Ų18288.2 Ų88.285%0.8543%0.426SS*.SBendtrans-56.6-48.3174.2-56.4-49.4107.400111.5C231E229-C231 PolarHBondContact O-N 2.96Å
230K85.3Confident89.7Confident206 Ų20686.3 Ų86.390%0.89642%0.417SS*.SBendtrans-96.177.5173.2-62.8-170.3179.8-173.80110.2R228R228-K230 VanDerWaalsContact C-N 3.35Å; R228-K230 PolarHBondContact O-N 3.23Å
231C89.1Confident89.6Confident20 Ų2085 Ų8514%0.13541%0.409CS..  trans-82.8146.5175.3-168.60000111.5C218 E229 Y233 H235C218-C231 VanDerWaalsContact SG-SG 3.6Å; E229-C231 PolarHBondContact O-N 2.96Å; C231-Y233 PolarHBondContact O-N 3.46Å; C231-H235 WeakPolarHBondContact CB-NE2 3.5Å; C231-H235 PolarHBondContact SG-NE2 3.47Å
232K88.1Confident89.4Confident167 Ų16783.9 Ų83.973%0.72642%0.416SS*.SBendtrans-69-20.9174.3178.9174.4177.6-175.90113.2
233Y89.8Confident89.2Confident107 Ų10787.8 Ų87.842%0.4243%0.433SS..SBendtrans-121.2147-172.6-52.6-67.9000110.3T216 C231 H235T216-Y233 HydrophobicContact CG2-CD1 3.79Å; T216-Y233 HydrophobicContact CG2-CE1 4.16Å; C231-Y233 PolarHBondContact O-N 3.46Å; Y233-H235 PolarHBondContact O-CD2 3.37Å
234F91.1Very high89.2Confident21 Ų2183 Ų839%0.09241%0.413CS..BIsolated β-bridgetrans-59.4138-172.4-176.7-117000112.3L179 A200 V215 T216 C218 P236L179-F234 HydrophobicContact CD1-CD1 4.47Å; L179-F234 HydrophobicContact CD1-CE1 4.46Å; A200-F234 HydrophobicContact CB-CD1 4.39Å; A200-F234 HydrophobicContact CB-CE1 3.84Å; A200-F234 HydrophobicContact CB-CZ 4.35Å; V215-F234 HydrophobicContact CB-CB 4.41Å; V215-F234 HydrophobicContact CG2-CB 4.33Å; V215-F234 HydrophobicContact CG2-CD1 4.06Å; V215-F234 HydrophobicContact CG2-CG 4.27Å; T216-F234 PolarHBondContact O-N 2.91Å; C218-F234 PolarHBondContact N-O 3.42Å; F234-P236 HydrophobicContact CD1-CB 4.1Å; F234-P236 HydrophobicContact CE1-CB 3.79Å; F234-P236 WeakPolarHBondContact O-CD 3.17Å
235H91.1Very high89.2Confident51 Ų5184 Ų8424%0.23640%0.396CS..  trans-104.388.1177.3-78.5-171.4000109.6C218 Y221 C226 R228 C231 Y233C218-H235 VanDerWaalsContact CB-CD2 3.45Å; C218-H235 WeakPolarHBondContact CB-CD2 3.46Å; Y221-H235 HydrophobicContact CD1-CB 3.86Å; Y221-H235 AromaticContact CD1-CG 3.89Å; Y221-H235 HydrophobicContact CD2-CB 4.42Å; Y221-H235 AromaticContact CD2-CD2 3.99Å; Y221-H235 AromaticContact CD2-CE1 3.68Å; Y221-H235 AromaticContact CD2-CG 3.79Å; Y221-H235 AromaticContact CD2-ND1 3.6Å; Y221-H235 AromaticContact CD2-NE2 3.91Å; Y221-H235 HydrophobicContact CE1-CB 3.78Å; Y221-H235 HydrophobicContact CE2-CB 4.36Å; Y221-H235 AromaticContact CE2-ND1 3.79Å; Y221-H235 HydrophobicContact CG-CB 4.18Å; Y221-H235 AromaticContact CG-CD2 3.61Å; Y221-H235 AromaticContact CG-CG 3.69Å; Y221-H235 AromaticContact CG-ND1 3.99Å; Y221-H235 AromaticContact CG-NE2 3.84Å; C226-H235 PolarHBondContact SG-NE2 3.45Å; C226-H235 VanDerWaalsContact SG-NE2 3.42Å; R228-H235 PolarHBondContact O-CE1 2.92Å; C231-H235 WeakPolarHBondContact CB-NE2 3.5Å; C231-H235 PolarHBondContact SG-NE2 3.47Å; Y233-H235 PolarHBondContact O-CD2 3.37Å
236P89.1Confident89Confident1 Ų178.4 Ų78.41%0.00639%0.386CS..  trans-68148.4-171.423.1-33.7000114L179 V217 I222 F234 L240 Q241 I244L179-P236 HydrophobicContact CD1-CB 4.16Å; V217-P236 HydrophobicContact CG1-CG 3.79Å; V217-P236 HydrophobicContact CG2-CG 4.43Å; I222-P236 HydrophobicContact CD1-CG 3.68Å; F234-P236 HydrophobicContact CD1-CB 4.1Å; F234-P236 HydrophobicContact CE1-CB 3.79Å; F234-P236 WeakPolarHBondContact O-CD 3.17Å; P236-L240 HydrophobicContact CB-CB 3.87Å; P236-Q241 HydrophobicContact CG-CG 4.15Å; P236-Q241 VanDerWaalsContact O-CG 3.23Å; P236-Q241 WeakPolarHBondContact O-CG 3.36Å; P236-Q241 PolarHBondContact O-NE2 3.32Å; P236-I244 HydrophobicContact CG-CD1 3.94Å
237P89.7Confident88.7Confident25 Ų2578.9 Ų78.916%0.16239%0.392CS..  trans-56.4158.8169.3-25.232.3000114.1E194 H239 L240 Q241E194-P237 HydrophobicContact CG-CG 3.31Å; E194-P237 VanDerWaalsContact OE1-CG 3.31Å; E194-P237 WeakPolarHBondContact OE1-CG 3.47Å; P237-H239 VanDerWaalsContact C-N 3.29Å; P237-H239 PolarHBondContact O-N 2.96Å; P237-H239 VanDerWaalsContact O-N 3.14Å; P237-L240 PolarHBondContact O-N 2.82Å; P237-Q241 WeakPolarHBondContact O-CG 3.48Å; P237-Q241 PolarHBondContact O-N 3.4Å
238A88.5Confident88.5Confident77 Ų7772.9 Ų72.964%0.63636%0.362SS*.Hα-helixtrans-51.2-40.9-175.300000114.4Q241 A242A238-Q241 PolarHBondContact O-N 3.05Å; A238-A242 PolarHBondContact O-N 3.37Å
239H88.6Confident88.2Confident84 Ų8469.8 Ų69.839%0.38936%0.355SS..Hα-helixtrans-59.2-48.6175.2167.9-137.7000112.3T195 C197 P237 A242 K243T195-H239 WeakPolarHBondContact O-CB 3.42Å; T195-H239 PolarHBondContact O-ND1 2.96Å; C197-H239 PolarHBondContact O-CE1 3.46Å; C197-H239 VanDerWaalsContact O-CE1 3.25Å; C197-H239 PolarHBondContact O-ND1 3.44Å; P237-H239 VanDerWaalsContact C-N 3.29Å; P237-H239 PolarHBondContact O-N 2.96Å; P237-H239 VanDerWaalsContact O-N 3.14Å; H239-A242 PolarHBondContact O-N 3.19Å; H239-K243 PolarHBondContact O-N 2.97Å
240L88.7Confident88.1Confident1 Ų167.5 Ų67.51%0.00534%0.344CS..Hα-helixtrans-72.6-30.7178.2-63.7-177.7000112.2L179 P236 P237 K243 I244L179-L240 HydrophobicContact CD1-CB 4.3Å; L179-L240 HydrophobicContact CD1-CD1 4.21Å; P236-L240 HydrophobicContact CB-CB 3.87Å; P237-L240 PolarHBondContact O-N 2.82Å; L240-K243 HydrophobicContact CD2-CD 4.12Å; L240-K243 WeakPolarHBondContact O-CB 3.38Å; L240-K243 PolarHBondContact O-N 2.69Å; L240-I244 WeakPolarHBondContact O-CD1 3.43Å; L240-I244 WeakPolarHBondContact O-CG1 3.35Å; L240-I244 PolarHBondContact O-N 3.15Å
241Q90.7Very high87.9Confident33 Ų3358.8 Ų58.815%0.15431%0.311CS..Hα-helixtrans-60.7-42.9169.7-64.7-177.733.900112.1Y221 I222 P236 P237 A238 I244 K245Y221-Q241 VanDerWaalsContact CE1-NE2 3.35Å; I222-Q241 HydrophobicContact CD1-CB 4.2Å; I222-Q241 HydrophobicContact CD1-CG 3.83Å; P236-Q241 HydrophobicContact CG-CG 4.15Å; P236-Q241 VanDerWaalsContact O-CG 3.23Å; P236-Q241 WeakPolarHBondContact O-CG 3.36Å; P236-Q241 PolarHBondContact O-NE2 3.32Å; P237-Q241 WeakPolarHBondContact O-CG 3.48Å; P237-Q241 PolarHBondContact O-N 3.4Å; A238-Q241 PolarHBondContact O-N 3.05Å; Q241-I244 PolarHBondContact O-N 3.42Å; Q241-K245 WeakPolarHBondContact O-CB 3.44Å; Q241-K245 WeakPolarHBondContact O-CD 3.4Å; Q241-K245 VanDerWaalsContact O-CG 3.24Å; Q241-K245 WeakPolarHBondContact O-CG 3.45Å; Q241-K245 PolarHBondContact O-N 2.59Å; Q241-K245 VanDerWaalsContact OE1-NZ 3.13Å
242A88.7Confident87.5Confident57 Ų5763.1 Ų63.147%0.47133%0.332SS..Hα-helixtrans-62.7-44.4178.600000111.1A238 H239 I244 K245 A246A238-A242 PolarHBondContact O-N 3.37Å; H239-A242 PolarHBondContact O-N 3.19Å; A242-I244 PolarHBondContact O-N 3.17Å; A242-K245 PolarHBondContact O-N 3.49Å; A242-A246 WeakPolarHBondContact O-CB 3.49Å; A242-A246 PolarHBondContact O-N 2.92Å
243K86.8Confident86.9Confident88 Ų8860.4 Ų60.438%0.38332%0.322SS..Hα-helixtrans-55.2-46.2173.8-173.6-173.9178.9-166.40112.1R198 H239 L240 A247R198-K243 PolarHBondContact O-NZ 3.37Å; H239-K243 PolarHBondContact O-N 2.97Å; L240-K243 HydrophobicContact CD2-CD 4.12Å; L240-K243 WeakPolarHBondContact O-CB 3.38Å; L240-K243 PolarHBondContact O-N 2.69Å; K243-A247 PolarHBondContact O-N 3Å; K243-A247 VanDerWaalsContact O-N 3.1Å
244I89.4Confident86.2Confident7 Ų758.3 Ų58.34%0.03633%0.327CS..Hα-helixtrans-66.7-46.4177.5-67.9160.8000111.7L179 V217 M219 I222 P236 L240 Q241 A242 A246 A247 Q248L179-I244 HydrophobicContact CD1-CD1 3.93Å; L179-I244 HydrophobicContact CD2-CD1 4.24Å; L179-I244 HydrophobicContact CD2-CG1 4.19Å; L179-I244 HydrophobicContact CG-CD1 4.1Å; V217-I244 HydrophobicContact CG1-CD1 4.07Å; V217-I244 HydrophobicContact CG2-CD1 3.94Å; M219-I244 HydrophobicContact CE-CG2 4.14Å; I222-I244 HydrophobicContact CD1-CD1 3.98Å; I222-I244 HydrophobicContact CD1-CG2 4.41Å; I222-I244 HydrophobicContact CG1-CG2 4.28Å; I222-I244 HydrophobicContact CG2-CG2 4.18Å; P236-I244 HydrophobicContact CG-CD1 3.94Å; L240-I244 WeakPolarHBondContact O-CD1 3.43Å; L240-I244 WeakPolarHBondContact O-CG1 3.35Å; L240-I244 PolarHBondContact O-N 3.15Å; Q241-I244 PolarHBondContact O-N 3.42Å; A242-I244 PolarHBondContact O-N 3.17Å; I244-A246 VanDerWaalsContact C-N 3.28Å; I244-A246 PolarHBondContact O-N 2.92Å; I244-A247 PolarHBondContact O-N 3.27Å; I244-Q248 HydrophobicContact CG2-CG 4.35Å; I244-Q248 WeakPolarHBondContact O-CB 3.43Å; I244-Q248 WeakPolarHBondContact O-CG 3.24Å; I244-Q248 PolarHBondContact O-N 3.37Å
245K89.7Confident85.5Confident91 Ų9159 Ų5940%0.39634%0.336SS..Hα-helixtrans-62.1-36.7-179.8-72.4165.2-179.8171.40111.4I222 Q241 A242 H249I222-K245 HydrophobicContact CG2-CD 4.47Å; I222-K245 HydrophobicContact CG2-CG 3.87Å; I222-K245 WeakPolarHBondContact O-CE 3.44Å; I222-K245 PolarHBondContact O-NZ 3.28Å; Q241-K245 WeakPolarHBondContact O-CB 3.44Å; Q241-K245 WeakPolarHBondContact O-CD 3.4Å; Q241-K245 VanDerWaalsContact O-CG 3.24Å; Q241-K245 WeakPolarHBondContact O-CG 3.45Å; Q241-K245 PolarHBondContact O-N 2.59Å; Q241-K245 VanDerWaalsContact OE1-NZ 3.13Å; A242-K245 PolarHBondContact O-N 3.49Å; K245-H249 PolarHBondContact O-N 3.49Å; K245-H249 VanDerWaalsContact O-N 3.09Å
246A87.3Confident84.6Confident48 Ų4861 Ų6140%0.39735%0.352SS..Hα-helixtrans-66.1-46.9172.900000112.5A242 I244 Q248 H249 Q250A242-A246 WeakPolarHBondContact O-CB 3.49Å; A242-A246 PolarHBondContact O-N 2.92Å; I244-A246 VanDerWaalsContact C-N 3.28Å; I244-A246 PolarHBondContact O-N 2.92Å; A246-Q248 PolarHBondContact O-N 2.96Å; A246-H249 PolarHBondContact O-N 3.44Å; A246-H249 VanDerWaalsContact O-N 3.16Å; A246-Q250 WeakPolarHBondContact O-CG 3.35Å; A246-Q250 PolarHBondContact O-N 3.34Å
247A86.4Confident83.7Confident36 Ų3663.8 Ų63.830%0.29838%0.375SS..Hα-helixtrans-62.7-40.6177.400000112.5T176 K243 I244 H249 Q250 A251T176-A247 WeakPolarHBondContact OG1-CB 3.34Å; K243-A247 PolarHBondContact O-N 3Å; K243-A247 VanDerWaalsContact O-N 3.1Å; I244-A247 PolarHBondContact O-N 3.27Å; A247-H249 VanDerWaalsContact C-N 3.34Å; A247-H249 PolarHBondContact O-N 2.92Å; A247-Q250 PolarHBondContact O-N 2.96Å; A247-A251 WeakPolarHBondContact O-CB 3.41Å; A247-A251 PolarHBondContact O-N 2.99Å
248Q85.8Confident82.6Confident47 Ų4765.6 Ų65.622%0.2239%0.392CS..Hα-helixtrans-59-42.8171.4-75.5174.8-8.900112.2T176 M219 I244 A246 A251 N252T176-Q248 HydrophobicContact CG2-CG 3.55Å; M219-Q248 PolarHBondContact SD-NE2 3.4Å; I244-Q248 HydrophobicContact CG2-CG 4.35Å; I244-Q248 WeakPolarHBondContact O-CB 3.43Å; I244-Q248 WeakPolarHBondContact O-CG 3.24Å; I244-Q248 PolarHBondContact O-N 3.37Å; A246-Q248 PolarHBondContact O-N 2.96Å; Q248-A251 PolarHBondContact O-N 3.43Å; Q248-N252 PolarHBondContact O-N 3.03Å; Q248-N252 PolarHBondContact O-OD1 3.3Å
249H84.8Confident81.5Confident117 Ų11768.4 Ų68.454%0.54239%0.392SS..Hα-helixtrans-66.4-41.6178.7-169.650.9000112K245 A246 A247 N252 Q253K245-H249 PolarHBondContact O-N 3.49Å; K245-H249 VanDerWaalsContact O-N 3.09Å; A246-H249 PolarHBondContact O-N 3.44Å; A246-H249 VanDerWaalsContact O-N 3.16Å; A247-H249 VanDerWaalsContact C-N 3.34Å; A247-H249 PolarHBondContact O-N 2.92Å; H249-N252 PolarHBondContact O-N 3.41Å; H249-Q253 PolarHBondContact CD2-NE2 3.34Å; H249-Q253 PolarHBondContact NE2-NE2 2.95Å; H249-Q253 WeakPolarHBondContact O-CG 3.5Å; H249-Q253 PolarHBondContact O-N 3.21Å
250Q82.1Confident80.4Confident133 Ų13367.4 Ų67.462%0.62140%0.399SS*.Hα-helixtrans-63.4-44.2174.6-70.2172.5-400112.1A246 A247 N252 Q253 A254A246-Q250 WeakPolarHBondContact O-CG 3.35Å; A246-Q250 PolarHBondContact O-N 3.34Å; A247-Q250 PolarHBondContact O-N 2.96Å; Q250-N252 VanDerWaalsContact C-N 3.32Å; Q250-N252 PolarHBondContact O-N 3.34Å; Q250-Q253 PolarHBondContact O-N 3.38Å; Q250-A254 WeakPolarHBondContact O-CB 3.31Å; Q250-A254 PolarHBondContact O-N 3.24Å
251A79.9Confident79.1Confident24 Ų2470.3 Ų70.320%0.19842%0.423CS..Hα-helixtrans-60.8-40.3176.100000112.1L173 A247 Q248 A254 A255L173-A251 HydrophobicContact CD2-CB 4.24Å; A247-A251 WeakPolarHBondContact O-CB 3.41Å; A247-A251 PolarHBondContact O-N 2.99Å; Q248-A251 PolarHBondContact O-N 3.43Å; A251-A254 PolarHBondContact O-N 3.35Å; A251-A255 WeakPolarHBondContact O-CB 3.45Å; A251-A255 PolarHBondContact O-N 3.01Å
252N80.8Confident77.6Confident111 Ų11171.5 Ų71.559%0.59444%0.438SS*.Hα-helixtrans-67.8-40175.1-75.813.7000112.4Q248 H249 Q250 A255 V256Q248-N252 PolarHBondContact O-N 3.03Å; Q248-N252 PolarHBondContact O-OD1 3.3Å; H249-N252 PolarHBondContact O-N 3.41Å; Q250-N252 VanDerWaalsContact C-N 3.32Å; Q250-N252 PolarHBondContact O-N 3.34Å; N252-A255 PolarHBondContact O-N 2.83Å; N252-V256 WeakPolarHBondContact O-CG2 3.48Å; N252-V256 PolarHBondContact O-N 3.42Å
253Q75.9Confident76Confident110 Ų11071.7 Ų71.751%0.51444%0.439SS..Hα-helixtrans-61.2-45.3173.7-72.5-178.624.900111.4H249 Q250 A255 V256 A257H249-Q253 PolarHBondContact CD2-NE2 3.34Å; H249-Q253 PolarHBondContact NE2-NE2 2.95Å; H249-Q253 WeakPolarHBondContact O-CG 3.5Å; H249-Q253 PolarHBondContact O-N 3.21Å; Q250-Q253 PolarHBondContact O-N 3.38Å; Q253-A255 PolarHBondContact O-N 3.22Å; Q253-V256 PolarHBondContact O-N 3.46Å; Q253-A257 WeakPolarHBondContact O-CB 3.48Å; Q253-A257 PolarHBondContact O-N 3.15Å
254A75.9Confident74.4Confident62 Ų6270.3 Ų70.351%0.51245%0.445SS..Hα-helixtrans-62.7-40.2177.400000112.4Q250 A251 A257 A258Q250-A254 WeakPolarHBondContact O-CB 3.31Å; Q250-A254 PolarHBondContact O-N 3.24Å; A251-A254 PolarHBondContact O-N 3.35Å; A254-A257 PolarHBondContact O-N 3.41Å; A254-A258 WeakPolarHBondContact O-CB 3.43Å; A254-A258 PolarHBondContact O-N 3.08Å
255A74.9Confident72.6Confident35 Ų3572.8 Ų72.829%0.28947%0.466SS..Hα-helixtrans-63.9-42.5175.700000112.5A251 N252 Q253 A258 Q259A251-A255 WeakPolarHBondContact O-CB 3.45Å; A251-A255 PolarHBondContact O-N 3.01Å; N252-A255 PolarHBondContact O-N 2.83Å; Q253-A255 PolarHBondContact O-N 3.22Å; A255-A258 PolarHBondContact O-N 3.48Å; A255-Q259 WeakPolarHBondContact O-CB 3.37Å; A255-Q259 VanDerWaalsContact O-CG 3.28Å; A255-Q259 WeakPolarHBondContact O-CG 3.28Å; A255-Q259 PolarHBondContact O-N 3.17Å
256V73.2Confident70.9Confident94 Ų9473.2 Ų73.257%0.5748%0.477SS*.Hα-helixtrans-66.2-41.1175.9171.40000111.3N252 Q253 Q259 A260N252-V256 WeakPolarHBondContact O-CG2 3.48Å; N252-V256 PolarHBondContact O-N 3.42Å; Q253-V256 PolarHBondContact O-N 3.46Å; V256-Q259 PolarHBondContact O-N 2.81Å; V256-A260 PolarHBondContact O-N 3.05Å
257A69.8Low69.1Low60 Ų6076.1 Ų76.150%0.49649%0.489SS..Hα-helixtrans-63.3-42.5175.600000112.2Q253 A254 A260 A261Q253-A257 WeakPolarHBondContact O-CB 3.48Å; Q253-A257 PolarHBondContact O-N 3.15Å; A254-A257 PolarHBondContact O-N 3.41Å; A257-A260 PolarHBondContact O-N 3.15Å; A257-A261 PolarHBondContact O-N 3.41Å
258A66.4Low67.4Low62 Ų6281.7 Ų81.751%0.51251%0.511SS..Hα-helixtrans-64.7-38.6175.700000112.4A254 A255 A261 A262A254-A258 WeakPolarHBondContact O-CB 3.43Å; A254-A258 PolarHBondContact O-N 3.08Å; A255-A258 PolarHBondContact O-N 3.48Å; A258-A261 PolarHBondContact O-N 3.47Å; A258-A262 WeakPolarHBondContact O-CB 3.39Å; A258-A262 PolarHBondContact O-N 3.26Å
259Q66.8Low65.7Low136 Ų13684.5 Ų84.564%0.63653%0.532SS*.Hα-helixtrans-66.5-39.6174.8-74.3171.2-5.800112.2A255 V256 A262 A263A255-Q259 WeakPolarHBondContact O-CB 3.37Å; A255-Q259 VanDerWaalsContact O-CG 3.28Å; A255-Q259 WeakPolarHBondContact O-CG 3.28Å; A255-Q259 PolarHBondContact O-N 3.17Å; V256-Q259 PolarHBondContact O-N 2.81Å; Q259-A262 PolarHBondContact O-N 3.32Å; Q259-A263 PolarHBondContact O-N 2.95Å
260A64.6Low63.9Low64 Ų6487.1 Ų87.153%0.52954%0.544SS..Hα-helixtrans-64.4-41.4173.800000112.2V256 A257 A263 A264V256-A260 PolarHBondContact O-N 3.05Å; A257-A260 PolarHBondContact O-N 3.15Å; A260-A263 PolarHBondContact O-N 3.35Å; A260-A264 PolarHBondContact O-N 3.49Å; A260-A264 VanDerWaalsContact O-N 3.08Å
261A60.7Low62Low62 Ų6285.7 Ų85.751%0.51255%0.549SS..Hα-helixtrans-64.8-41.3175.300000112.5A257 A258 A264 A265A257-A261 PolarHBondContact O-N 3.41Å; A258-A261 PolarHBondContact O-N 3.47Å; A261-A264 PolarHBondContact O-N 3.31Å; A261-A265 PolarHBondContact O-N 3.18Å
262A59.1Low60.3Low58 Ų5890.6 Ų90.648%0.47958%0.576SS.*Hα-helixtrans-63.3-41.8175.500000112.1A258 Q259 A264 A265 T266A258-A262 WeakPolarHBondContact O-CB 3.39Å; A258-A262 PolarHBondContact O-N 3.26Å; Q259-A262 PolarHBondContact O-N 3.32Å; A262-A264 PolarHBondContact O-N 3.33Å; A262-A265 PolarHBondContact O-N 2.72Å; A262-T266 PolarHBondContact O-N 2.79Å; A262-T266 PolarHBondContact O-OG1 2.8Å
263A56.2Low58.5Low60 Ų6089.7 Ų89.750%0.49658%0.584SS.*Hα-helixtrans-61.6-41.6175.100000112.2Q259 A260 A265 T266 V267Q259-A263 PolarHBondContact O-N 2.95Å; A260-A263 PolarHBondContact O-N 3.35Å; A263-A265 PolarHBondContact O-N 3.38Å; A263-T266 PolarHBondContact O-N 3.2Å; A263-V267 PolarHBondContact O-N 3.47Å
264A52.4Low57.1Low60 Ų6094.1 Ų94.150%0.49660%0.602SS.*Hα-helixtrans-63.1-39.1175.500000112.5A260 A261 A262 T266 V267A260-A264 PolarHBondContact O-N 3.49Å; A260-A264 VanDerWaalsContact O-N 3.08Å; A261-A264 PolarHBondContact O-N 3.31Å; A262-A264 PolarHBondContact O-N 3.33Å; A264-T266 PolarHBondContact O-N 3.41Å; A264-V267 PolarHBondContact O-N 3.49Å
265A52.7Low55.4Low59 Ų5995.5 Ų95.549%0.48861%0.613SS.*Hα-helixtrans-64.4-36.1177.300000113A261 A262 A263 V267 M268A261-A265 PolarHBondContact O-N 3.18Å; A262-A265 PolarHBondContact O-N 2.72Å; A263-A265 PolarHBondContact O-N 3.38Å; A265-V267 VanDerWaalsContact C-N 3.29Å; A265-V267 PolarHBondContact O-N 3.43Å; A265-M268 PolarHBondContact O-N 2.91Å
266T52.6Low53.7Low100 Ų100103 Ų10361%0.61365%0.645SS**Hα-helixtrans-69.7-23.6178-51.10000113.4A262 A263 A264 T269A262-T266 PolarHBondContact O-N 2.79Å; A262-T266 PolarHBondContact O-OG1 2.8Å; A263-T266 PolarHBondContact O-N 3.2Å; A264-T266 PolarHBondContact O-N 3.41Å; T266-T269 PolarHBondContact O-OG1 2.79Å
267V50.5Low52Low109 Ų109108.2 Ų108.266%0.66166%0.659SS**Hα-helixtrans-75.8-33.8174.8177.60000111.6A263 A264 A265 T269A263-V267 PolarHBondContact O-N 3.47Å; A264-V267 PolarHBondContact O-N 3.49Å; A265-V267 VanDerWaalsContact C-N 3.29Å; A265-V267 PolarHBondContact O-N 3.43Å; V267-T269 PolarHBondContact O-N 2.91Å
268M51.5Low50.3Low153 Ų153115.6 Ų115.675%0.75467%0.674SS**Hα-helixtrans-68.1-29.8-177.1-78.1-72.3-172.800114.2A265A265-M268 PolarHBondContact O-N 2.91Å
269T48.8Very low49.1Very low106 Ų106118.5 Ų118.565%0.6569%0.688SS**THydrogen-bonded Turntrans-84.5-6.3-172.550.10000115.1T266 V267T266-T269 PolarHBondContact O-OG1 2.79Å; V267-T269 PolarHBondContact O-N 2.91Å
270Q46.7Very low47.6Very low172 Ų172117.6 Ų117.680%0.80469%0.687SS**THydrogen-bonded Turntrans-88.6-7.8-179.6-156.1168.2109.200113.9
271S43.4Very low46Very low103 Ų103122 Ų12272%0.7270%0.697SS**SBendtrans-90.1-12.4-168-60.80000116.1
272T44.7Very low44.5Very low126 Ų126122.9 Ų122.977%0.77370%0.704SS**SBendtrans-96-12.1-174.348.50000114.7K274T272-K274 VanDerWaalsContact C-N 3.34Å; T272-K274 PolarHBondContact O-N 3.28Å; T272-K274 VanDerWaalsContact O-N 3.15Å
273A42.8Very low43.2Very low92 Ų92126 Ų12676%0.7672%0.717SS**THydrogen-bonded Turntrans-88.639.3-171.600000114.9
274K44.8Very low42.1Very low204 Ų204129.9 Ų129.989%0.88774%0.735SS**THydrogen-bonded Turntrans-153.530.7180-136166.7-170.8169.10119T272T272-K274 VanDerWaalsContact C-N 3.34Å; T272-K274 PolarHBondContact O-N 3.28Å; T272-K274 VanDerWaalsContact O-N 3.15Å
275A41.3Very low41Very low90 Ų90133 Ų13374%0.74474%0.743SS**  trans-139.8128169.600000114.4
276M38.2Very low40.2Very low194 Ų194137.4 Ų137.496%0.95676%0.757SS**  trans100.9147.7164.7-54.7-151.4175.900118.8
277K38.7Very low39.1Very low202 Ų202137.3 Ų137.388%0.87877%0.767SS**  trans-94.5141.7-174.3-74.9175.8173.3176.30110.8
278R34.7Very low38.1Very low215 Ų215141 Ų14181%0.81177%0.774SS**  trans20.2133.4137.7-134.4179180-176.3-1.9117.7
279P40.1Very low37.7Very low124 Ų124139.1 Ų139.181%0.80577%0.774SS**  -124.4-176.399.538-35.2000115.1
280L35.3Very low37.7Very low116 Ų116139.4 Ų139.461%0.60778%0.777SS**  trans-60.9164.2167.1-121.564.5000111.2
281E31.5Very low36.8Very low157 Ų157134.8 Ų134.873%0.73478%0.775SS**  cis-146.3170.617.4-91.9-68.628.900111
282A29.7Very low36.2Very low81 Ų81134.9 Ų134.967%0.66978%0.782SS**  trans59.1150.7150.300000120.3
283T31.3Very low35.7Very low123 Ų123137 Ų13776%0.75579%0.788SS**  cis-165.5154.3-10.619.80000108.3
284V31.6Very low35.1Very low142 Ų142141.7 Ų141.786%0.86179%0.794SS**  trans67.2136.9159.7163.40000116.8
285D30.2Very low34.9Very low126 Ų126137.5 Ų137.567%0.67479%0.787SS**  cis-159.5167.4-19.6-171.6-135.9000111.3
286L35.3Very low34.6Very low150 Ų150141.2 Ų141.279%0.78579%0.794SS**  trans12.1119.7166.8-97.858.2000121.2
287A29.9Very low34.6Very low98 Ų98137.9 Ų137.981%0.8179%0.787SS**  177140.610100000114.1
288F30.4Very low34.4Very low187 Ų187138.2 Ų138.282%0.8279%0.788SS**  trans-136.7166.2167.9-126.6-122.2000106.6P290F288-P290 HydrophobicContact CD1-CB 4.26Å; F288-P290 HydrophobicContact CE1-CB 4.2Å
289P43Very low34.4Very low114 Ų114139.4 Ų139.474%0.7479%0.793SS**  -146.6-150.855.747-24.1000113.6
290P47.7Very low33.8Very low112 Ų112143.1 Ų143.173%0.72780%0.799SS**  -131.7-178.2-114.935.8-12.6000116.1F288F288-P290 HydrophobicContact CD1-CB 4.26Å; F288-P290 HydrophobicContact CE1-CB 4.2Å
291G28.8Very low33.4Very low74 Ų74142 Ų14276%0.76381%0.807SS**  trans-174.5102.5170.200000117.3
292A31.3Very low33.7Very low105 Ų105141.2 Ų141.287%0.86881%0.807SS**  trans44.9122.1155.500000121.7
293L32.3Very low33.8Very low172 Ų172145.8 Ų145.890%0.90181%0.814SS**  trans-122.9150.3159.4-73175.7000110.5
294H31.3Very low34Very low189 Ų189147.8 Ų147.888%0.87581%0.813SS**  trans-141.7160.8167.1-101.9154.6000110.5
295P41Very low33.9Very low116 Ų116147.1 Ų147.175%0.75382%0.815SS**  trans-111164.1-137.2815000116.2
296L34.8Very low34.1Very low168 Ų168148.9 Ų148.988%0.8882%0.824SS**PPolyproline II helixtrans-88.4137.4172.8-70.4166000112.3
297P38.1Very low33.9Very low125 Ų125145.1 Ų145.181%0.81282%0.821SS**PPolyproline II helixtrans-67.4158.1168-21.734.6000114.1
298K33.6Very low34Very low209 Ų209147.8 Ų147.891%0.90983%0.828SS**PPolyproline II helixtrans-88.4162.3-178-79.5177.1175.81730113.7
299R35.9Very low34.3Very low240 Ų240144.9 Ų144.991%0.90683%0.831SS**PPolyproline II helixtrans-61.4156.9168.1-66.7176.2169.6173.3-5.9112.9
300Q26.8Very low33.8Very low201 Ų201143.8 Ų143.894%0.93983%0.831SS**PPolyproline II helixtrans-100.9167.1142.2-79.8-176.2-81.200110.4
301A27.8Very low33.6Very low92 Ų92144.7 Ų144.776%0.7683%0.834SS**  trans-127.1156.5-164.200000113.5
302L36.3Very low33.8Very low141 Ų141150.7 Ų150.774%0.73884%0.839SS**  trans38.4123133.9-175.967.8000119.1K304L302-K304 HydrophobicContact CD1-CG 4.33Å
303E32.1Very low34Very low177 Ų177151.4 Ų151.483%0.82783%0.829SS**  trans-142.3165136-109.9-68.84100110.5
304K35.3Very low34.4Very low165 Ų165148.8 Ų148.872%0.71782%0.822SS**  trans-121.8154.2-176.3-83.3177.7171.6177.80112.5L302L302-K304 HydrophobicContact CD1-CG 4.33Å
305S30.2Very low35.1Very low129 Ų129145 Ų14590%0.90282%0.817SS**  trans-157.5153.8154.2-82.30000110.6
306N33.5Very low35.5Very low163 Ų163145 Ų14587%0.87282%0.815SS**  trans-103.3138.7-164.9-79.1-14.3000114.7
307G32Very low36.1Very low70 Ų70144.5 Ų144.572%0.72281%0.812SS**  73.1109.6120.900000120.6
308T31.1Very low36.7Very low155 Ų155146.9 Ų146.995%0.95181%0.812SS**  trans-163.8157.3131.68.30000109.8
309S36.5Very low37.1Very low126 Ų126146.8 Ų146.888%0.88181%0.807SS**  trans-112.2124.3-169.8-55.60000112.6
310A34.4Very low37.5Very low91 Ų91143.7 Ų143.775%0.75280%0.803SS**  trans-169.8109.5155.600000113.5
311V41.9Very low38.6Very low130 Ų130141.2 Ų141.279%0.78879%0.792SS**  trans47146.9150-120.10000123.7
312F33.8Very low39.4Very low200 Ų200140 Ų14088%0.87778%0.781SS**  trans70109.8162.5-83-77.3000121.3
313N36Very low40Very low121 Ų121140.6 Ų140.665%0.64778%0.784SS**  trans-85.3153.6162-159.520.2000108.8S315N313-S315 PolarHBondContact OD1-N 2.87Å
314P40.4Very low40.6Very low116 Ų116138.2 Ų138.275%0.75378%0.782SS**  -146.498.278.134.9-13.9000115.4V316P314-V316 PolarHBondContact O-N 2.9Å
315S44.8Very low41.3Very low111 Ų111135.4 Ų135.478%0.77678%0.783SS**  trans-88.286.9168.1-78.40000111.8N313N313-S315 PolarHBondContact OD1-N 2.87Å
316V50.1Low41.8Very low115 Ų115133.5 Ų133.570%0.69778%0.775SS**  trans-123.8-6.9177-170.60000113.2P314P314-V316 PolarHBondContact O-N 2.9Å
317L48.3Very low42Very low158 Ų158133.8 Ų133.883%0.82777%0.771SS**SBendtrans-94.5-6.2-174.3-68.6175.9000116
318H49.7Very low42.1Very low175 Ų175138.6 Ų138.681%0.8178%0.78SS**SBendtrans-91.2-10.9-172-121.589000115.9
319Y42.2Very low42.3Very low207 Ų207139.1 Ų139.181%0.81277%0.771SS**SBendtrans-88.2-31.6-179.4-165.7-108.2000113.4Q321 A322Y319-Q321 VanDerWaalsContact C-N 3.32Å; Y319-Q321 PolarHBondContact O-N 3.15Å; Y319-A322 PolarHBondContact O-N 3.25Å
320Q45Very low42.2Very low175 Ų175141.2 Ų141.282%0.81877%0.767SS**G310 helixtrans-80.5-10.5-173.3-163.5160.185.600114.1A322Q320-A322 VanDerWaalsContact C-N 3.33Å
321Q49.3Very low42.1Very low149 Ų149146 Ų14670%0.69677%0.774SS**G310 helixtrans-86.8-1176.1-161.4156.2-2.100113.5Y319Y319-Q321 VanDerWaalsContact C-N 3.32Å; Y319-Q321 PolarHBondContact O-N 3.15Å
322A44.9Very low41.6Very low66 Ų66143.9 Ų143.955%0.54577%0.77SS.*G310 helixtrans-90.710.8-177.300000115.1Y319 Q320Y319-A322 PolarHBondContact O-N 3.25Å; Q320-A322 VanDerWaalsContact C-N 3.33Å
323L49.3Very low41.5Very low153 Ų153138.9 Ų138.980%0.80177%0.766SS**G310 helixtrans-120.51.1-176.5-69.7177.2000115.2
324T44.4Very low41Very low127 Ų127142.5 Ų142.578%0.77978%0.776SS**SBendtrans-110.95.8179.443.80000114.3
325S48.8Very low40.6Very low106 Ų106142.5 Ų142.574%0.74177%0.768SS**SBendtrans-120.143.2-177.155.60000113.7
326A41.3Very low40.2Very low89 Ų89143 Ų14374%0.73677%0.769SS**SBendtrans-139145.2171.700000112.1
327Q36.7Very low39.4Very low169 Ų169143.9 Ų143.979%0.7978%0.775SS**  trans55.277.2166.3-88.8-85.1-7900117.8
328L34.7Very low38.7Very low172 Ų172139.7 Ų139.790%0.90177%0.77SS**  -145.760.2125.9-132.4172.2000111.1
329Q35.3Very low38Very low165 Ų165137 Ų13777%0.77177%0.77SS**  trans-76.2153.1172.9-161.9157.9-17.400110
330Q35Very low37.8Very low170 Ų170133.2 Ų133.279%0.79477%0.769SS**  trans-73.3143.8-162.4-59.6178.5-1.100113.9
331H31.3Very low37.2Very low193 Ų193132.7 Ų132.789%0.89477%0.771SS**  trans-107.991.7154.7-73.8-69.1000109.9
332A32.3Very low36.5Very low84 Ų84130.1 Ų130.169%0.69477%0.768SS**PPolyproline II helixtrans-83.3165.8157.300000109.7
333A30.7Very low35.9Very low96 Ų96135 Ų13579%0.79378%0.782SS**PPolyproline II helixtrans-60.9146.2-169.800000114.5
334F27Very low35.3Very low197 Ų197133.8 Ų133.886%0.86478%0.781SS**PPolyproline II helixtrans-103.3140.7156.7-167.3-95.4000109.1
335I32.3Very low35.6Very low115 Ų115133.8 Ų133.859%0.5978%0.783SS**  trans-118.5131.9-177.7-63.2174.1000108.5T337I335-T337 HydrophobicContact CG2-CG2 3.85Å
336P35.5Very low34.9Very low123 Ų123132.4 Ų132.480%0.79978%0.778SS**  trans-83.7117.9162.932.2-29000110.3
337T34.2Very low34.5Very low132 Ų132134.5 Ų134.581%0.8178%0.782SS**  trans-132.3127.3171.737.20000111.1I335I335-T337 HydrophobicContact CG2-CG2 3.85Å
338G33.5Very low34.4Very low71 Ų71131.6 Ų131.673%0.73278%0.78SS**  trans138.2131.617200000112.3
339S34.5Very low34.4Very low117 Ų117131.2 Ų131.282%0.81878%0.777SS**  cis-154140.9-4.6-76.10000113
340V37.1Very low34.7Very low128 Ų128129.9 Ų129.978%0.77678%0.78SS**  trans22.9111.3140.9-170.60000119.3
341L34Very low35.5Very low165 Ų165126.7 Ų126.786%0.86477%0.774SS**  -155.3145.5128.7-73.2-173.2000106.5
342C34Very low35.9Very low94 Ų94125.1 Ų125.164%0.63577%0.769SS**  cis-178.4170.3-35.953.40000104.8
343M32Very low36Very low169 Ų169127.3 Ų127.383%0.83377%0.766SS**  trans69.7107.4169-53-94.759.200119.2
344T36.1Very low36.4Very low128 Ų128131.3 Ų131.379%0.78577%0.768SS**  trans-91.8154.413752.20000108.1
345P50.9Low36.5Very low126 Ų126126.4 Ų126.482%0.81876%0.758SS**  -130.8-17580.38.316.2000111.5
346A34.4Very low36.7Very low77 Ų77125.1 Ų125.164%0.63677%0.765SS**  cis158.4169.5-23.600000106.8
347T33.2Very low36.7Very low134 Ų134126 Ų12682%0.82277%0.769SS**  trans72.2128.416964.70000120.6
348S34Very low36.8Very low107 Ų107125.1 Ų125.175%0.74877%0.768SS**  trans36.9129.8140.8-50.40000122.5
349I35.9Very low36.8Very low165 Ų165126.2 Ų126.285%0.84677%0.77SS**  -169.5134.595.9-89.6153.2000111.6
350V40Very low37Very low136 Ų136126.6 Ų126.682%0.82477%0.767SS**  trans-133.4152.7157.6-143.50000103
351P53.5Low36.9Very low104 Ų104127.7 Ų127.768%0.67577%0.774SS**  cis-142-172.12044.9-26.3000115.8
352M38.1Very low37Very low159 Ų159125.2 Ų125.278%0.78377%0.771SS**  -177.8122.1125.2-87.8-81.8-178.800106.8
353M36Very low37Very low130 Ų130125.8 Ų125.864%0.6478%0.782SS**  58.1128.995-52.5-144.576.700113.1S355M353-S355 WeakPolarHBondContact CE-OG 3.35Å
354H37.3Very low37.1Very low180 Ų180121.8 Ų121.883%0.83378%0.775SS**  cis-132.3158.639.7-48.958.6000109.5
355S30.4Very low37Very low94 Ų94122 Ų12266%0.65778%0.777SS**  cis65.3130.838.5-49.70000113M353M353-S355 WeakPolarHBondContact CE-OG 3.35Å
356A35.7Very low36.4Very low89 Ų89122.1 Ų122.174%0.73678%0.775SS**  cis-155.8-171.7-13.800000106.5
357T36.1Very low37.2Very low142 Ų142124 Ų12487%0.87178%0.781SS**  cis-156171.211.9-35.60000109.1
358S35.1Very low37.2Very low113 Ų113122 Ų12279%0.7978%0.778SS**  trans-91150.7-179.1-41.90000115.6
359A33.9Very low37.2Very low93 Ų93123.3 Ų123.377%0.76978%0.782SS**  trans-163.7134.7144.400000107.8
360T38.7Very low37.3Very low126 Ų126120.9 Ų120.977%0.77378%0.78SS**  cis84.79928.7-50.10000114.7
361V35.5Very low37.4Very low150 Ų150120.8 Ų120.891%0.90978%0.779SS**  trans-158.7157.2151-990000109.5
362S35.2Very low37.3Very low114 Ų114121.6 Ų121.680%0.79778%0.784SS**  trans-141.7151.7-168.4-57.70000113.6
363A35.5Very low37.1Very low105 Ų105123.1 Ų123.187%0.86879%0.787SS**  trans65.1158.4165.800000117
364A33.2Very low37.2Very low85 Ų85120.8 Ų120.870%0.70279%0.788SS**  cis-128-144.5-3.700000109.6
365T34.1Very low37Very low134 Ų134117.3 Ų117.382%0.82279%0.79SS**  cis-158.6168.96.2-23.30000110.6
366T37.9Very low37.2Very low127 Ų127119 Ų11978%0.77980%0.797SS**  trans-104.6-173.3162.454.50000109.5
367P51Low37.3Very low117 Ų117119.2 Ų119.276%0.7680%0.799SS**  cis-139.6175.41.344.3-26.8000117.2
368A33.8Very low37.3Very low92 Ų92118.6 Ų118.676%0.7680%0.795SS**  trans174.8126.5144.300000108.3
369T34.8Very low37.4Very low134 Ų134116.9 Ų116.982%0.82279%0.788SS**  8598.951.7-56.50000114.4
370S37.6Very low37.9Very low114 Ų114118.9 Ų118.980%0.79779%0.786SS**  trans-177.7139.5133.636.70000112.9
371V41.8Very low38Very low135 Ų135120.6 Ų120.682%0.81879%0.785SS**  trans-146.1136.9168.5-170.70000106.9
372P52.7Low38.4Very low121 Ų121119.6 Ų119.679%0.78677%0.773SS**  -131.7138.9127.135.1-26.2000110.1
373F33.3Very low38.7Very low191 Ų191121 Ų12184%0.83877%0.77SS**  cis83.896.241.5-150.3-80.1000114.6
374A37.3Very low39.1Very low80 Ų80124.1 Ų124.166%0.66177%0.771SS**  trans37139.1152.200000123
375A33.7Very low40Very low107 Ų107133.2 Ų133.288%0.88480%0.795SS**  trans-135146.5147.200000109.3
376T35.2Very low40.3Very low130 Ų130133.2 Ų133.280%0.79879%0.794SS**  trans-128.3124.4-170-59.30000112.4
377A37.4Very low40.4Very low93 Ų93133.5 Ų133.577%0.76979%0.794SS**  trans-160.2130.1153.400000107.5
378T36.3Very low39.8Very low130 Ų130134.4 Ų134.480%0.79880%0.796SS**  cis100.1133.332-63.20000112.6
379A37.3Very low40.2Very low76 Ų76136.9 Ų136.963%0.62880%0.798SS**  trans86.3113.1167.800000120.5
380N43Very low40.5Very low136 Ų136137.1 Ų137.173%0.72780%0.797SS**  trans69.5118.3134.8-60-24.9000119.6
381Q42Very low40.7Very low162 Ų162138.7 Ų138.776%0.75780%0.797SS**  69.1140.678.8-65.7-149.689.200112.7
382I43.4Very low40.6Very low128 Ų128138.9 Ų138.966%0.65680%0.795SS**  cis-164.9169.926.7-145.1163.8000113.5
383I42.2Very low39.7Very low144 Ų144140.3 Ų140.374%0.73880%0.796SS**  trans73.7128.2158.7-80.7170.6000121.1
384L42.9Very low40.2Very low170 Ų170136.1 Ų136.189%0.8979%0.793SS**  trans-93.5146151.6-73.769.8000108.9
385K52Low40.5Very low277 Ų277141.2 Ų141.2100%1.20481%0.805SS**  trans-152.70144.1-151.3164.1-172.2173.10112.2

Retrieved 385 of 385 residues in 48.5 ms (Link to these results)