A0A087XWI3_POEFO Loading...

Muscleblind like splicing regulator 1

AlphaFold DB , UniProt , Accession A0A087XWI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 379 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.3Very low52.1Low238 Ų238129.5 Ų129.5100%1.17272%0.716SS**  0117.80-60.2178.2-171.900107.3V3M1-V3 PolarHBondContact O-N 3.33Å
2A37.8Very low55Low103 Ų103132.2 Ų132.285%0.85171%0.714SS**  trans-73.7117.9177.100000108.8N4A2-N4 PolarHBondContact O-N 3.39Å
3V42.9Very low57.5Low127 Ų127126.2 Ų126.277%0.7768%0.675SS**  trans-73.896.9176.4-164.90000107.1M1 V5M1-V3 PolarHBondContact O-N 3.33Å; V3-V5 HydrophobicContact CB-CG2 4.31Å; V3-V5 HydrophobicContact CG1-CG2 3.73Å; V3-V5 PolarHBondContact O-N 2.97Å
4N38.6Very low60Low140 Ų140118.4 Ų118.475%0.74963%0.633SS**  trans-70.973.2173.2-173.859.7000109A2 T6A2-N4 PolarHBondContact O-N 3.39Å; N4-T6 PolarHBondContact O-N 3.25Å
5V44.1Very low62.1Low108 Ų108113.5 Ų113.566%0.65561%0.61SS**  trans-66.890.7167.9-177.20000105.9V3V3-V5 HydrophobicContact CB-CG2 4.31Å; V3-V5 HydrophobicContact CG1-CG2 3.73Å; V3-V5 PolarHBondContact O-N 2.97Å
6T41.3Very low64Low85 Ų85107 Ų10752%0.52158%0.575SS.*  trans-50.1135.1161.350.70000106.8N4 I8N4-T6 PolarHBondContact O-N 3.25Å; T6-I8 PolarHBondContact O-N 3.39Å
7P52.8Low65.7Low121 Ų121104.2 Ų104.279%0.78656%0.557SS**  trans-67.192.2177.126.3-32.7000107.4R9P7-R9 VanDerWaalsContact C-N 3.31Å; P7-R9 PolarHBondContact O-N 3.37Å
8I55.2Low67.3Low138 Ų13898.6 Ų98.671%0.70853%0.527SS*.  trans-59.7100.7174.8-58.4174000104.8T6 D10T6-I8 PolarHBondContact O-N 3.39Å; I8-D10 PolarHBondContact O-N 3.38Å
9R67.6Low68.7Low222 Ų22293.5 Ų93.584%0.83850%0.5SS*.  trans-58.3118.2175.8-67.5179.8177.6-179.1-0.7105.9P7 T11P7-R9 VanDerWaalsContact C-N 3.31Å; P7-R9 PolarHBondContact O-N 3.37Å; R9-T11 VanDerWaalsContact C-N 3.29Å; R9-T11 PolarHBondContact O-N 2.86Å
10D69.1Low69.9Low68 Ų6897.4 Ų97.436%0.36451%0.507SS..  trans-57.791.7177.6-96.8-68000109.6I8 K12 W13I8-D10 PolarHBondContact O-N 3.38Å; D10-K12 PolarHBondContact O-N 3.42Å; D10-W13 PolarHBondContact O-NE1 3.28Å
11T82.3Confident71Confident75 Ų7597.2 Ų97.246%0.4650%0.504SS..G310 helixtrans-73.8-12.317551.60000111.2R9 W13 L14 T15R9-T11 VanDerWaalsContact C-N 3.29Å; R9-T11 PolarHBondContact O-N 2.86Å; T11-W13 PolarHBondContact O-N 3.21Å; T11-L14 WeakPolarHBondContact O-CA 3.21Å; T11-L14 WeakPolarHBondContact O-CB 3.47Å; T11-L14 PolarHBondContact O-N 3.34Å; T11-T15 PolarHBondContact O-N 3.03Å
12K86.9Confident73.5Confident161 Ų16189.9 Ų89.970%0.747%0.466SS*.G310 helixtrans-57-42.6-177.3-165.1173.4-175.6176.30112.8D10 L14 T15D10-K12 PolarHBondContact O-N 3.42Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.45Å; K12-T15 PolarHBondContact O-N 3.31Å; K12-T15 PolarHBondContact O-OG1 3.11Å
13W88.1Confident76Confident54 Ų5490 Ų9021%0.20545%0.449CS..G310 helixtrans-74.1-15.6177.372.8-95000113.6D10 T11 T15 F54 L57 L79 N86D10-W13 PolarHBondContact O-NE1 3.28Å; T11-W13 PolarHBondContact O-N 3.21Å; W13-T15 VanDerWaalsContact C-N 3.35Å; W13-F54 AromaticContact CH2-CD2 3.76Å; W13-F54 HydrophobicContact CH2-CD2 3.76Å; W13-F54 AromaticContact CH2-CE2 3.76Å; W13-F54 HydrophobicContact CH2-CE2 3.76Å; W13-F54 AromaticContact CZ2-CD2 3.88Å; W13-F54 HydrophobicContact CZ2-CD2 3.88Å; W13-F54 AromaticContact CZ2-CE2 3.8Å; W13-F54 HydrophobicContact CZ2-CE2 3.8Å; W13-L57 HydrophobicContact CZ3-CD1 4.2Å; W13-L79 WeakPolarHBondContact O-CD2 3.16Å; W13-N86 HydrophobicContact CB-CB 3.96Å; W13-N86 VanDerWaalsContact CD1-OD1 3.32Å; W13-N86 HydrophobicContact CG-CB 4.29Å
14L91.5Very high78.3Confident17 Ų1793.5 Ų93.59%0.08945%0.448CS..G310 helixtrans-86.4-2.8173.6-70.6165.1000113.1T11 K12 I51 A52 F54 L57T11-L14 WeakPolarHBondContact O-CA 3.21Å; T11-L14 WeakPolarHBondContact O-CB 3.47Å; T11-L14 PolarHBondContact O-N 3.34Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.45Å; L14-I51 HydrophobicContact CB-CG2 4.25Å; L14-A52 PolarHBondContact O-N 2.91Å; L14-F54 HydrophobicContact CD1-CB 4.26Å; L14-F54 HydrophobicContact CD1-CD2 4.27Å; L14-F54 HydrophobicContact CD2-CB 4.4Å; L14-F54 HydrophobicContact CD2-CD2 4.23Å; L14-L57 HydrophobicContact CD2-CD1 3.49Å; L14-L57 VanDerWaalsContact CD2-CD1 3.49Å
15T91.6Very high80.8Confident45 Ų4590.2 Ų90.228%0.27645%0.448SS..EExtended strand (participates in β ladder)trans-81.2133.7177.864.60000112.1T11 K12 W13 V50 I51T11-T15 PolarHBondContact O-N 3.03Å; K12-T15 PolarHBondContact O-N 3.31Å; K12-T15 PolarHBondContact O-OG1 3.11Å; W13-T15 VanDerWaalsContact C-N 3.35Å; T15-V50 WeakPolarHBondContact CA-O 3.05Å; T15-I51 HydrophobicContact CG2-CG1 4.18Å
16L92.8Very high83.2Confident10 Ų1089.3 Ų89.35%0.05244%0.442CS..EExtended strand (participates in β ladder)trans-112147.9168-74.8173.7000110.2A37 R49 V50 L69 P71 L75 L79L16-A37 HydrophobicContact CB-CB 4.12Å; L16-A37 HydrophobicContact CD1-CB 4.35Å; L16-R49 CarbonylContact O-C 3.57Å; L16-R49 WeakPolarHBondContact O-CA 3.49Å; L16-R49 WeakPolarHBondContact O-CB 3.48Å; L16-V50 HydrophobicContact CB-CG1 4.3Å; L16-V50 PolarHBondContact N-O 3.18Å; L16-V50 PolarHBondContact O-N 3.11Å; L16-L69 HydrophobicContact CD1-CD2 4.1Å; L16-P71 HydrophobicContact CD1-CB 3.98Å; L16-L75 HydrophobicContact CD1-CB 4.06Å; L16-L75 HydrophobicContact CD1-CD1 4.22Å; L16-L75 HydrophobicContact CD2-CD2 4.3Å; L16-L79 HydrophobicContact CD1-CD1 3.66Å; L16-L79 HydrophobicContact CD1-CG 4.28Å; L16-L79 HydrophobicContact CD2-CD1 4.2Å; L16-L79 HydrophobicContact CD2-CD2 3.96Å; L16-L79 HydrophobicContact CD2-CG 3.89Å; L16-L79 HydrophobicContact CG-CD1 3.84Å; L16-L79 HydrophobicContact CG-CD2 3.99Å; L16-L79 HydrophobicContact CG-CG 4.03Å
17E93.3Very high85.6Confident60 Ų6086.3 Ų86.328%0.2843%0.425SS..EExtended strand (participates in β ladder)trans-79.5131.2169.5-169.2158.8167.700109.9R20 F36 A37 R49E17-R20 IonicContact OE1-NE 3.59Å; E17-R20 IonicContact OE1-NH2 3.33Å; E17-R20 PolarHBondContact OE1-NH2 3.07Å; E17-F36 HydrophobicContact CB-CD1 4.16Å; E17-F36 HydrophobicContact CG-CD1 4.28Å; E17-F36 HydrophobicContact CG-CE1 4.44Å; E17-A37 PolarHBondContact O-N 3.08Å; E17-A37 VanDerWaalsContact O-N 3.08Å; E17-R49 IonicContact OE2-CZ 3.42Å; E17-R49 IonicContact OE2-NH1 3.78Å; E17-R49 PolarHBondContact OE2-NH1 2.79Å; E17-R49 IonicContact OE2-NH2 3.4Å
18V94.1Very high87.5Confident2 Ų286.4 Ų86.41%0.01243%0.428CS..BIsolated β-bridgetrans-80.1143.9-179.6173.60000109.8R20 Q23 A37 P39 V45 G48 V50V18-R20 PolarHBondContact O-N 3.25Å; V18-Q23 HydrophobicContact CG1-CG 3.79Å; V18-A37 WeakPolarHBondContact CA-O 3.23Å; V18-P39 HydrophobicContact CB-CG 4.45Å; V18-P39 VanDerWaalsContact CG1-CD 3.48Å; V18-P39 HydrophobicContact CG1-CG 3.68Å; V18-P39 HydrophobicContact CG2-CG 3.87Å; V18-V45 HydrophobicContact CG2-CG1 4.03Å; V18-V45 HydrophobicContact CG2-CG2 4.31Å; V18-G48 WeakPolarHBondContact CB-O 3.5Å; V18-G48 PolarHBondContact N-O 3.28Å; V18-V50 HydrophobicContact CG2-CB 3.82Å; V18-V50 HydrophobicContact CG2-CG1 3.62Å
19C94.4Very high89.3Confident2 Ų286.8 Ų86.81%0.01442%0.421CS..PPolyproline II helixtrans-62.5120.1178.9-1760000111.5E21 F22 Q23 C34 F36 A37 H38C19-E21 VanDerWaalsContact C-N 3.32Å; C19-E21 PolarHBondContact O-N 3.48Å; C19-F22 HydrophobicContact CB-CB 3.65Å; C19-F22 PolarHBondContact O-N 3.2Å; C19-Q23 PolarHBondContact O-N 3.25Å; C19-C34 VanDerWaalsContact SG-SG 3.68Å; C19-F36 VanDerWaalsContact CA-CB 3.46Å; C19-F36 HydrophobicContact CB-CB 3.65Å; C19-A37 PolarHBondContact N-O 3.42Å; C19-H38 WeakPolarHBondContact CB-CD2 3.4Å; C19-H38 VanDerWaalsContact CB-NE2 3.33Å; C19-H38 WeakPolarHBondContact CB-NE2 3.38Å
20R92.1Very high90.4Very high171 Ų17179.3 Ų79.365%0.64540%0.401SS*.Hα-helixtrans-67.5-31.7180-64-173.8-174.5-163.50.6112.9E17 V18 R24E17-R20 IonicContact OE1-NE 3.59Å; E17-R20 IonicContact OE1-NH2 3.33Å; E17-R20 PolarHBondContact OE1-NH2 3.07Å; V18-R20 PolarHBondContact O-N 3.25Å; R20-R24 WeakPolarHBondContact O-CG 3.24Å; R20-R24 PolarHBondContact O-N 3.21Å
21E94.2Very high91.2Very high95 Ų9578.2 Ų78.244%0.44440%0.395SS..Hα-helixtrans-69.7-38.3173.2-65.9165.5-141.700110.7C19 R24 G25 T26 C27C19-E21 VanDerWaalsContact C-N 3.32Å; C19-E21 PolarHBondContact O-N 3.48Å; E21-R24 CarbonylContact O-C 3.55Å; E21-R24 WeakPolarHBondContact O-CA 3.48Å; E21-R24 PolarHBondContact O-N 2.92Å; E21-R24 VanDerWaalsContact O-N 3.09Å; E21-G25 PolarHBondContact O-N 3.02Å; E21-T26 PolarHBondContact O-N 3.16Å; E21-T26 PolarHBondContact O-OG1 3.32Å; E21-C27 HydrophobicContact CB-CB 3.57Å; E21-C27 PolarHBondContact O-N 3.09Å
22F92.7Very high91.6Very high84 Ų8480 Ų8037%0.36840%0.402SS..Hα-helixtrans-67.6-41.8178.2-177-102.7000111.7C19 R24 G25 C27 H38 P39C19-F22 HydrophobicContact CB-CB 3.65Å; C19-F22 PolarHBondContact O-N 3.2Å; F22-R24 PolarHBondContact O-N 2.9Å; F22-R24 VanDerWaalsContact O-N 3.16Å; F22-G25 PolarHBondContact O-N 2.95Å; F22-C27 HydrophobicContact CB-CB 4.08Å; F22-H38 HydrophobicContact CD1-CB 4.13Å; F22-H38 HydrophobicContact CD2-CB 4.11Å; F22-H38 AromaticContact CD2-CD2 3.94Å; F22-H38 AromaticContact CD2-CE1 3.84Å; F22-H38 AromaticContact CD2-CG 3.65Å; F22-H38 AromaticContact CD2-ND1 3.59Å; F22-H38 HydrophobicContact CE1-CB 4.04Å; F22-H38 HydrophobicContact CE2-CB 4.02Å; F22-H38 AromaticContact CE2-ND1 3.97Å; F22-H38 HydrophobicContact CG-CB 4.17Å; F22-H38 AromaticContact CG-CD2 3.67Å; F22-H38 AromaticContact CG-CG 3.75Å; F22-H38 AromaticContact CG-NE2 3.98Å; F22-H38 HydrophobicContact CZ-CB 3.98Å; F22-P39 WeakPolarHBondContact CE1-O 3.33Å
23Q90.1Very high91.7Very high105 Ų10578.8 Ų78.849%0.49140%0.398SS..Hα-helixtrans-58-25.2170.6-72.7175.76.800113.3V18 C19V18-Q23 HydrophobicContact CG1-CG 3.79Å; C19-Q23 PolarHBondContact O-N 3.25Å
24R91.4Very high91.9Very high201 Ų20176.4 Ų76.476%0.75839%0.39SS*.THydrogen-bonded Turntrans-96.3-1.3177.2-68176.5-177.2-79.7-1.4113.5R20 E21 F22 T26R20-R24 WeakPolarHBondContact O-CG 3.24Å; R20-R24 PolarHBondContact O-N 3.21Å; E21-R24 CarbonylContact O-C 3.55Å; E21-R24 WeakPolarHBondContact O-CA 3.48Å; E21-R24 PolarHBondContact O-N 2.92Å; E21-R24 VanDerWaalsContact O-N 3.09Å; F22-R24 PolarHBondContact O-N 2.9Å; F22-R24 VanDerWaalsContact O-N 3.16Å; R24-T26 HydrophobicContact CB-CG2 4.29Å; R24-T26 PolarHBondContact O-N 2.99Å
25G90.7Very high91.9Very high71 Ų7182.3 Ų82.373%0.73242%0.415SS*.THydrogen-bonded Turntrans70.412.2-174.900000115.1E21 F22E21-G25 PolarHBondContact O-N 3.02Å; F22-G25 PolarHBondContact O-N 2.95Å
26T94.1Very high92Very high88 Ų8883.6 Ų83.654%0.5442%0.417SS..  trans-103.2-1.5-175.565.60000114.2E21 R24 S28E21-T26 PolarHBondContact O-N 3.16Å; E21-T26 PolarHBondContact O-OG1 3.32Å; R24-T26 HydrophobicContact CB-CG2 4.29Å; R24-T26 PolarHBondContact O-N 2.99Å; T26-S28 PolarHBondContact O-N 3.37Å
27C92.8Very high91.9Very high23 Ų2383.1 Ų83.116%0.15541%0.414CS..  trans-81.3114.2-178.9-158.40000111.5E21 F22E21-C27 HydrophobicContact CB-CB 3.57Å; E21-C27 PolarHBondContact O-N 3.09Å; F22-C27 HydrophobicContact CB-CB 4.08Å
28S92.5Very high91.9Very high123 Ų12381.4 Ų81.486%0.8641%0.406SS*.  trans-89.52.8175.8-48.20000114T26T26-S28 PolarHBondContact O-N 3.37Å
29R93.2Very high91.7Very high146 Ų14682 Ų8255%0.55141%0.41SS*.SBendtrans-89138.1-178.1-62.9178.8-177.9-84.7-4.2110.7C34 H38R29-C34 HydrophobicContact CB-CB 4.22Å; R29-H38 PolarHBondContact O-CE1 3.04Å; R29-H38 VanDerWaalsContact O-CE1 3.25Å
30P89.5Confident91.3Very high65 Ų6584.7 Ų84.742%0.42243%0.433SS..  trans-67.1154.6170.330-34.2000110.5N32 E33 C34P30-N32 PolarHBondContact O-N 3.24Å; P30-E33 HydrophobicContact CG-CB 3.97Å; P30-E33 HydrophobicContact CG-CG 3.9Å; P30-E33 PolarHBondContact O-N 3.32Å; P30-C34 PolarHBondContact O-N 3.16Å
31D87.8Confident90.7Very high45 Ų4587.2 Ų87.224%0.24145%0.448CS..THydrogen-bonded Turntrans-57.1-33.9-179.5-176.6-115.9000112.3E33 C34 H38 P72 H74D31-E33 VanDerWaalsContact C-N 3.26Å; D31-E33 PolarHBondContact O-N 3.01Å; D31-C34 PolarHBondContact O-N 3.41Å; D31-H38 HydrophobicContact CB-CB 4.2Å; D31-H38 WeakPolarHBondContact OD2-CB 3.33Å; D31-H38 IonicContact OD2-CG 2.99Å; D31-H38 PolarHBondContact OD2-N 3.13Å; D31-P72 WeakPolarHBondContact O-CG 3.43Å; D31-P72 VanDerWaalsContact OD1-CD 3.24Å; D31-P72 WeakPolarHBondContact OD1-CD 3.34Å; D31-P72 WeakPolarHBondContact OD1-CG 3.45Å; D31-H74 PolarHBondContact O-CE1 3.31Å; D31-H74 VanDerWaalsContact O-CE1 3.28Å
32N89.3Confident89.9Confident112 Ų11286.4 Ų86.460%0.59945%0.453SS*.THydrogen-bonded Turntrans-62.7-21.8174-73.9-31.7000115.3P30 P72 H74P30-N32 PolarHBondContact O-N 3.24Å; N32-P72 WeakPolarHBondContact OD1-CB 3.5Å; N32-H74 VanDerWaalsContact C-CE1 3.47Å; N32-H74 PolarHBondContact O-CE1 2.8Å
33E90.6Very high89.5Confident135 Ų13583.2 Ų83.263%0.63144%0.441SS*.THydrogen-bonded Turntrans-114.7-16.2179.7-66.9175.2-144.500112.8P30 D31 K35P30-E33 HydrophobicContact CG-CB 3.97Å; P30-E33 HydrophobicContact CG-CG 3.9Å; P30-E33 PolarHBondContact O-N 3.32Å; D31-E33 VanDerWaalsContact C-N 3.26Å; D31-E33 PolarHBondContact O-N 3.01Å; E33-K35 PolarHBondContact O-N 2.83Å
34C92.1Very high89Confident4 Ų484.4 Ų84.43%0.02745%0.446CS..  trans-69.9133.8178.7-163.80000110.4C19 R29 P30 D31 F36 H38 H74C19-C34 VanDerWaalsContact SG-SG 3.68Å; R29-C34 HydrophobicContact CB-CB 4.22Å; P30-C34 PolarHBondContact O-N 3.16Å; D31-C34 PolarHBondContact O-N 3.41Å; C34-F36 PolarHBondContact O-N 3.25Å; C34-F36 PolarHBondContact SG-O 2.7Å; C34-H38 PolarHBondContact SG-NE2 3.42Å; C34-H74 PolarHBondContact O-NE2 3.05Å
35K90.8Very high88.8Confident142 Ų14278 Ų7862%0.61743%0.429SS*.SBendtrans-67.6-14.2176.3176.7176.4172.6-59.40112.9E33E33-K35 PolarHBondContact O-N 2.83Å
36F92.8Very high88.5Confident71 Ų7181.3 Ų81.331%0.31143%0.426SS..SBendtrans-129.2152.5-173.9-59.7-81.1000109.9E17 C19 C34E17-F36 HydrophobicContact CB-CD1 4.16Å; E17-F36 HydrophobicContact CG-CD1 4.28Å; E17-F36 HydrophobicContact CG-CE1 4.44Å; C19-F36 VanDerWaalsContact CA-CB 3.46Å; C19-F36 HydrophobicContact CB-CB 3.65Å; C34-F36 PolarHBondContact O-N 3.25Å; C34-F36 PolarHBondContact SG-O 2.7Å
37A92.4Very high88.1Confident0 Ų084.4 Ų84.40%044%0.439CS..BIsolated β-bridgetrans-67.3138.9-17400000113.2L16 E17 V18 C19 P39 V50 L69 L75L16-A37 HydrophobicContact CB-CB 4.12Å; L16-A37 HydrophobicContact CD1-CB 4.35Å; E17-A37 PolarHBondContact O-N 3.08Å; E17-A37 VanDerWaalsContact O-N 3.08Å; V18-A37 WeakPolarHBondContact CA-O 3.23Å; C19-A37 PolarHBondContact N-O 3.42Å; A37-P39 WeakPolarHBondContact O-CD 3.36Å; A37-V50 HydrophobicContact CB-CG1 3.9Å; A37-L69 HydrophobicContact CB-CD2 3.43Å; A37-L69 VanDerWaalsContact CB-CD2 3.43Å; A37-L75 HydrophobicContact CB-CD1 4.35Å
38H92.1Very high87.9Confident25 Ų2584.6 Ų84.612%0.11645%0.445CS..  trans-103.589.2167.7-66.8-176.1000110.6C19 F22 R29 D31 C34C19-H38 WeakPolarHBondContact CB-CD2 3.4Å; C19-H38 VanDerWaalsContact CB-NE2 3.33Å; C19-H38 WeakPolarHBondContact CB-NE2 3.38Å; F22-H38 HydrophobicContact CD1-CB 4.13Å; F22-H38 HydrophobicContact CD2-CB 4.11Å; F22-H38 AromaticContact CD2-CD2 3.94Å; F22-H38 AromaticContact CD2-CE1 3.84Å; F22-H38 AromaticContact CD2-CG 3.65Å; F22-H38 AromaticContact CD2-ND1 3.59Å; F22-H38 HydrophobicContact CE1-CB 4.04Å; F22-H38 HydrophobicContact CE2-CB 4.02Å; F22-H38 AromaticContact CE2-ND1 3.97Å; F22-H38 HydrophobicContact CG-CB 4.17Å; F22-H38 AromaticContact CG-CD2 3.67Å; F22-H38 AromaticContact CG-CG 3.75Å; F22-H38 AromaticContact CG-NE2 3.98Å; F22-H38 HydrophobicContact CZ-CB 3.98Å; R29-H38 PolarHBondContact O-CE1 3.04Å; R29-H38 VanDerWaalsContact O-CE1 3.25Å; D31-H38 HydrophobicContact CB-CB 4.2Å; D31-H38 WeakPolarHBondContact OD2-CB 3.33Å; D31-H38 IonicContact OD2-CG 2.99Å; D31-H38 PolarHBondContact OD2-N 3.13Å; C34-H38 PolarHBondContact SG-NE2 3.42Å
39P90.1Very high87.8Confident15 Ų1584.2 Ų84.210%0.09743%0.425CS..  trans-69.1138.5-179.229.3-35.5000112.1V18 F22 A37 C43 V45 V50V18-P39 HydrophobicContact CB-CG 4.45Å; V18-P39 VanDerWaalsContact CG1-CD 3.48Å; V18-P39 HydrophobicContact CG1-CG 3.68Å; V18-P39 HydrophobicContact CG2-CG 3.87Å; F22-P39 WeakPolarHBondContact CE1-O 3.33Å; A37-P39 WeakPolarHBondContact O-CD 3.36Å; P39-C43 HydrophobicContact CB-CB 3.88Å; P39-V45 HydrophobicContact CB-CG2 3.92Å; P39-V45 HydrophobicContact CG-CG2 3.66Å; P39-V50 HydrophobicContact CB-CG2 4.23Å
40A85.2Confident87.8Confident58 Ų5877.4 Ų77.448%0.47940%0.399SS..  trans-65.7157.7168.200000111.1S42 C43A40-S42 PolarHBondContact O-N 3.01Å; A40-C43 WeakPolarHBondContact O-CB 3.2Å; A40-C43 PolarHBondContact O-N 3.24Å
41K80.3Confident87.9Confident224 Ų22476.7 Ų76.797%0.97439%0.392SS*.THydrogen-bonded Turntrans-57.8-17.9-179-62-179.3-178.8178.70114.5
42S77.6Confident88.1Confident78 Ų7874.7 Ų74.755%0.54538%0.381SS..THydrogen-bonded Turntrans-87.8-14.1176.552.20000114.7A40A40-S42 PolarHBondContact O-N 3.01Å
43C83.7Confident88.2Confident17 Ų1769.4 Ų69.412%0.11535%0.353CS..SBendtrans-79.6135.3-177.3-70.10000111P39 A40 V45 V50P39-C43 HydrophobicContact CB-CB 3.88Å; A40-C43 WeakPolarHBondContact O-CB 3.2Å; A40-C43 PolarHBondContact O-N 3.24Å; C43-V45 PolarHBondContact O-N 2.98Å; C43-V50 HydrophobicContact CB-CG2 4.08Å
44Q80.1Confident88.2Confident129 Ų12967.3 Ų67.360%0.60334%0.342SS*.  trans-72.5111.8174-69-173.8-37.800110.1
45V87.6Confident88.1Confident66 Ų6671 Ų7140%0.436%0.361SS..EExtended strand (participates in β ladder)trans-102120173-178.90000108.6V18 P39 C43 R49 V50V18-V45 HydrophobicContact CG2-CG1 4.03Å; V18-V45 HydrophobicContact CG2-CG2 4.31Å; P39-V45 HydrophobicContact CB-CG2 3.92Å; P39-V45 HydrophobicContact CG-CG2 3.66Å; C43-V45 PolarHBondContact O-N 2.98Å; V45-R49 CarbonylContact C-O 3.44Å; V45-R49 WeakPolarHBondContact CA-O 3.33Å; V45-V50 HydrophobicContact CG2-CB 4.47Å
46E83.6Confident88.2Confident141 Ų14165.2 Ų65.266%0.65934%0.339SS*.EExtended strand (participates in β ladder)trans-124.8125.2-178.2-172179.2174.200109G48 R49E46-G48 PolarHBondContact O-N 3.47Å; E46-G48 VanDerWaalsContact O-N 3.13Å; E46-R49 PolarHBondContact N-O 3.14Å; E46-R49 PolarHBondContact O-N 2.86Å
47N86.5Confident88.1Confident153 Ų15362.1 Ų62.182%0.81833%0.326SS*.THydrogen-bonded Turntrans51.136.3-178.5-66.8-65000114.4R49N47-R49 PolarHBondContact O-N 3.04Å
48G87.7Confident87.9Confident27 Ų2767.9 Ų67.928%0.27835%0.35SS..THydrogen-bonded Turntrans72.111.6-177.500000114.7V18 E46V18-G48 WeakPolarHBondContact CB-O 3.5Å; V18-G48 PolarHBondContact N-O 3.28Å; E46-G48 PolarHBondContact O-N 3.47Å; E46-G48 VanDerWaalsContact O-N 3.13Å
49R91.3Very high87.7Confident116 Ų11669.8 Ų69.844%0.43838%0.377SS..EExtended strand (participates in β ladder)trans-115.5154.9173.6-56.5-171.9-167.1-69.7-8.1110.6L16 E17 V45 E46 N47L16-R49 CarbonylContact O-C 3.57Å; L16-R49 WeakPolarHBondContact O-CA 3.49Å; L16-R49 WeakPolarHBondContact O-CB 3.48Å; E17-R49 IonicContact OE2-CZ 3.42Å; E17-R49 IonicContact OE2-NH1 3.78Å; E17-R49 PolarHBondContact OE2-NH1 2.79Å; E17-R49 IonicContact OE2-NH2 3.4Å; V45-R49 CarbonylContact C-O 3.44Å; V45-R49 WeakPolarHBondContact CA-O 3.33Å; E46-R49 PolarHBondContact N-O 3.14Å; E46-R49 PolarHBondContact O-N 2.86Å; N47-R49 PolarHBondContact O-N 3.04Å
50V92.2Very high87.7Confident2 Ų278.8 Ų78.81%0.01241%0.409CS..EExtended strand (participates in β ladder)trans-130143.6176.761.50000109.4T15 L16 V18 A37 P39 C43 V45 L69T15-V50 WeakPolarHBondContact CA-O 3.05Å; L16-V50 HydrophobicContact CB-CG1 4.3Å; L16-V50 PolarHBondContact N-O 3.18Å; L16-V50 PolarHBondContact O-N 3.11Å; V18-V50 HydrophobicContact CG2-CB 3.82Å; V18-V50 HydrophobicContact CG2-CG1 3.62Å; A37-V50 HydrophobicContact CB-CG1 3.9Å; P39-V50 HydrophobicContact CB-CG2 4.23Å; C43-V50 HydrophobicContact CB-CG2 4.08Å; V45-V50 HydrophobicContact CG2-CB 4.47Å; V50-L69 HydrophobicContact CG1-CB 4.42Å; V50-L69 HydrophobicContact CG1-CD2 3.73Å; V50-L69 HydrophobicContact CG2-CB 4.02Å
51I91.6Very high88Confident51 Ų5177.5 Ų77.526%0.26240%0.397SS..EExtended strand (participates in β ladder)trans-86.9125.6177-60.1168.4000108.9L14 T15 Y68 L69L14-I51 HydrophobicContact CB-CG2 4.25Å; T15-I51 HydrophobicContact CG2-CG1 4.18Å; I51-Y68 HydrophobicContact CB-CD1 3.95Å; I51-Y68 HydrophobicContact CB-CE1 4.32Å; I51-Y68 HydrophobicContact CG2-CD1 3.73Å; I51-Y68 HydrophobicContact CG2-CE1 3.97Å; I51-L69 PolarHBondContact O-N 3.34Å; I51-L69 VanDerWaalsContact O-N 3.11Å
52A91.9Very high88.4Confident2 Ų272.2 Ų72.22%0.01739%0.388CS..BIsolated β-bridgetrans-79.5148.2174.600000112.3L14 F54 L69 P71 L79L14-A52 PolarHBondContact O-N 2.91Å; A52-F54 PolarHBondContact O-N 2.84Å; A52-L69 CarbonylContact C-O 3.43Å; A52-L69 WeakPolarHBondContact CA-O 3.28Å; A52-P71 HydrophobicContact CB-CG 4.24Å; A52-L79 HydrophobicContact CB-CD1 3.39Å
53C91.7Very high89Confident2 Ų277 Ų771%0.01439%0.394CS..  trans-71.7112.4179.3-179.60000110.4D55 S56 L57 C66 L69 H70C53-D55 VanDerWaalsContact C-N 3.28Å; C53-D55 PolarHBondContact O-N 3.48Å; C53-S56 WeakPolarHBondContact CB-OG 3.49Å; C53-S56 WeakPolarHBondContact O-CB 3.12Å; C53-S56 PolarHBondContact O-N 3.42Å; C53-S56 VanDerWaalsContact O-N 3.08Å; C53-S56 PolarHBondContact O-OG 3.08Å; C53-S56 PolarHBondContact SG-N 3.22Å; C53-S56 VanDerWaalsContact SG-N 3.42Å; C53-L57 PolarHBondContact O-N 2.95Å; C53-L57 VanDerWaalsContact O-N 3.16Å; C53-C66 VanDerWaalsContact SG-SG 3.62Å; C53-L69 PolarHBondContact N-O 2.88Å; C53-H70 VanDerWaalsContact CB-CD2 3.5Å; C53-H70 WeakPolarHBondContact CB-CD2 3.41Å
54F90.6Very high88.7Confident90 Ų9084.3 Ų84.340%0.39543%0.426SS..Hα-helixtrans-55.7-42176.9-179.1-91.8000112.4W13 L14 A52 S56 L57 K58W13-F54 AromaticContact CH2-CD2 3.76Å; W13-F54 HydrophobicContact CH2-CD2 3.76Å; W13-F54 AromaticContact CH2-CE2 3.76Å; W13-F54 HydrophobicContact CH2-CE2 3.76Å; W13-F54 AromaticContact CZ2-CD2 3.88Å; W13-F54 HydrophobicContact CZ2-CD2 3.88Å; W13-F54 AromaticContact CZ2-CE2 3.8Å; W13-F54 HydrophobicContact CZ2-CE2 3.8Å; L14-F54 HydrophobicContact CD1-CB 4.26Å; L14-F54 HydrophobicContact CD1-CD2 4.27Å; L14-F54 HydrophobicContact CD2-CB 4.4Å; L14-F54 HydrophobicContact CD2-CD2 4.23Å; A52-F54 PolarHBondContact O-N 2.84Å; F54-S56 VanDerWaalsContact C-N 3.31Å; F54-S56 PolarHBondContact O-N 2.96Å; F54-L57 WeakPolarHBondContact O-CB 3.49Å; F54-L57 PolarHBondContact O-N 2.85Å; F54-K58 HydrophobicContact CD1-CG 4.41Å; F54-K58 HydrophobicContact CE1-CG 4.01Å; F54-K58 HydrophobicContact CZ-CG 4.29Å; F54-K58 PolarHBondContact O-N 3.21Å; F54-K58 VanDerWaalsContact O-N 3.13Å
55D91.4Very high88.8Confident82 Ų8284.7 Ų84.744%0.43943%0.433SS..Hα-helixtrans-67.8-30.4178.9-58.7-70.5000112.4C53 K58 G59 R60 C61C53-D55 VanDerWaalsContact C-N 3.28Å; C53-D55 PolarHBondContact O-N 3.48Å; D55-K58 CarbonylContact O-C 3.5Å; D55-K58 PolarHBondContact O-N 3.46Å; D55-G59 PolarHBondContact O-N 3.18Å; D55-R60 HydrophobicContact CB-CB 4.44Å; D55-R60 PolarHBondContact O-N 3.36Å; D55-C61 HydrophobicContact CB-CB 3.87Å; D55-C61 PolarHBondContact O-N 3.37Å
56S91Very high88.8Confident21 Ų2182.3 Ų82.315%0.14742%0.418CS..Hα-helixtrans-68.9-38.7173.579.70000112.1C53 F54 K58 G59 H70 P71C53-S56 WeakPolarHBondContact CB-OG 3.49Å; C53-S56 WeakPolarHBondContact O-CB 3.12Å; C53-S56 PolarHBondContact O-N 3.42Å; C53-S56 VanDerWaalsContact O-N 3.08Å; C53-S56 PolarHBondContact O-OG 3.08Å; C53-S56 PolarHBondContact SG-N 3.22Å; C53-S56 VanDerWaalsContact SG-N 3.42Å; F54-S56 VanDerWaalsContact C-N 3.31Å; F54-S56 PolarHBondContact O-N 2.96Å; S56-K58 PolarHBondContact O-N 3.42Å; S56-G59 PolarHBondContact O-N 2.97Å; S56-H70 VanDerWaalsContact CB-CD2 3.47Å; S56-H70 WeakPolarHBondContact CB-CD2 3.45Å; S56-P71 WeakPolarHBondContact OG-CD 3.4Å
57L90.7Very high89Confident6 Ų680.5 Ų80.53%0.03141%0.409CS..Hα-helixtrans-60.2-36.7172.1-61.7174000110.3W13 L14 C53 F54 P71 K76 L79W13-L57 HydrophobicContact CZ3-CD1 4.2Å; L14-L57 HydrophobicContact CD2-CD1 3.49Å; L14-L57 VanDerWaalsContact CD2-CD1 3.49Å; C53-L57 PolarHBondContact O-N 2.95Å; C53-L57 VanDerWaalsContact O-N 3.16Å; F54-L57 WeakPolarHBondContact O-CB 3.49Å; F54-L57 PolarHBondContact O-N 2.85Å; L57-P71 HydrophobicContact CD2-CG 3.66Å; L57-K76 HydrophobicContact CD2-CB 4Å; L57-K76 HydrophobicContact CD2-CD 4.47Å; L57-K76 HydrophobicContact CD2-CG 3.77Å; L57-K76 WeakPolarHBondContact O-CE 3.43Å; L57-K76 PolarHBondContact O-NZ 3.44Å; L57-L79 HydrophobicContact CD1-CB 4.14Å; L57-L79 HydrophobicContact CD1-CD1 4.28Å; L57-L79 HydrophobicContact CD2-CB 4.09Å; L57-L79 HydrophobicContact CD2-CD1 3.94Å
58K88.5Confident89.2Confident120 Ų12078 Ų7852%0.52239%0.389SS..THydrogen-bonded Turntrans-84.1-0.4175.9-60.6-54.2-176.3-174.90115.2F54 D55 S56 R60F54-K58 HydrophobicContact CD1-CG 4.41Å; F54-K58 HydrophobicContact CE1-CG 4.01Å; F54-K58 HydrophobicContact CZ-CG 4.29Å; F54-K58 PolarHBondContact O-N 3.21Å; F54-K58 VanDerWaalsContact O-N 3.13Å; D55-K58 CarbonylContact O-C 3.5Å; D55-K58 PolarHBondContact O-N 3.46Å; S56-K58 PolarHBondContact O-N 3.42Å; K58-R60 HydrophobicContact CB-CG 4.32Å; K58-R60 PolarHBondContact O-N 3.42Å
59G88.3Confident89.4Confident66 Ų6677.2 Ų77.268%0.6838%0.378SS*.THydrogen-bonded Turntrans67.123-177.600000114.2D55 S56D55-G59 PolarHBondContact O-N 3.18Å; S56-G59 PolarHBondContact O-N 2.97Å
60R91Very high89.4Confident203 Ų20375.2 Ų75.277%0.76637%0.373SS*.  trans-110.7-7.6-177.9-62.9-176.2-177.3-177.6-2.2113.9D55 K58 S62D55-R60 HydrophobicContact CB-CB 4.44Å; D55-R60 PolarHBondContact O-N 3.36Å; K58-R60 HydrophobicContact CB-CG 4.32Å; K58-R60 PolarHBondContact O-N 3.42Å; R60-S62 PolarHBondContact O-N 2.98Å
61C90.7Very high89.3Confident32 Ų3275.9 Ų75.922%0.21638%0.377CS..  trans-79.3116.9175.7-1660000110.5D55 H70D55-C61 HydrophobicContact CB-CB 3.87Å; D55-C61 PolarHBondContact O-N 3.37Å; C61-H70 VanDerWaalsContact SG-CE1 3.52Å; C61-H70 PolarHBondContact SG-NE2 3.07Å
62S89.1Confident89.4Confident113 Ų11373.8 Ų73.879%0.7937%0.367SS*.  trans-101.73.9173.754.10000113.7R60R60-S62 PolarHBondContact O-N 2.98Å
63R89.5Confident89.3Confident178 Ų17878 Ų7867%0.67239%0.394SS*.  trans-83.4121.4-177.4-59.5-178-178-162.7-0.8110.6C66 H70R63-C66 HydrophobicContact CB-CB 4.29Å; R63-H70 PolarHBondContact O-CE1 2.87Å
64E77.6Confident89.2Confident170 Ų17081.1 Ų81.179%0.79441%0.409SS*.THydrogen-bonded Turntrans-68.6-43.8172.956.1-72.691.900111.3C66E64-C66 PolarHBondContact O-N 2.89Å
65N82.7Confident89.3Confident138 Ų13877 Ų7774%0.73839%0.39SS*.THydrogen-bonded Turntrans-97.955.8176.7-7542.4000111.4
66C87.7Confident89.4Confident15 Ų1576 Ų7610%0.10138%0.382CS..  trans-64.7137.6177.5-165.80000112C53 R63 E64 Y68 H70C53-C66 VanDerWaalsContact SG-SG 3.62Å; R63-C66 HydrophobicContact CB-CB 4.29Å; E64-C66 PolarHBondContact O-N 2.89Å; C66-Y68 PolarHBondContact O-N 3.27Å; C66-H70 WeakPolarHBondContact CB-NE2 3.4Å; C66-H70 PolarHBondContact SG-NE2 3.32Å
67K87.5Confident89.4Confident104 Ų10478.6 Ų78.645%0.45240%0.397SS..SBendtrans-63-27174.9177.4177.1177.3-175.70112.8
68Y90Very high89.5Confident101 Ų10182.6 Ų82.640%0.39642%0.416SS..SBendtrans-110.1147.4-174.5-57.7-72.4000110I51 C66 H70I51-Y68 HydrophobicContact CB-CD1 3.95Å; I51-Y68 HydrophobicContact CB-CE1 4.32Å; I51-Y68 HydrophobicContact CG2-CD1 3.73Å; I51-Y68 HydrophobicContact CG2-CE1 3.97Å; C66-Y68 PolarHBondContact O-N 3.27Å; Y68-H70 PolarHBondContact O-N 3.13Å
69L91.8Very high89.7Confident10 Ų1076.9 Ų76.95%0.05239%0.391CS..BIsolated β-bridgetrans-58.6136.3-179178.867000111.3L16 A37 V50 I51 A52 C53 P71L16-L69 HydrophobicContact CD1-CD2 4.1Å; A37-L69 HydrophobicContact CB-CD2 3.43Å; A37-L69 VanDerWaalsContact CB-CD2 3.43Å; V50-L69 HydrophobicContact CG1-CB 4.42Å; V50-L69 HydrophobicContact CG1-CD2 3.73Å; V50-L69 HydrophobicContact CG2-CB 4.02Å; I51-L69 PolarHBondContact O-N 3.34Å; I51-L69 VanDerWaalsContact O-N 3.11Å; A52-L69 CarbonylContact C-O 3.43Å; A52-L69 WeakPolarHBondContact CA-O 3.28Å; C53-L69 PolarHBondContact N-O 2.88Å; L69-P71 VanDerWaalsContact O-CD 3.28Å; L69-P71 WeakPolarHBondContact O-CD 3.35Å
70H91.7Very high89.9Confident74 Ų7476.3 Ų76.334%0.34337%0.371SS..  trans-93.7101.7165.7-72.9-171.3000108.1C53 S56 C61 R63 C66 Y68C53-H70 VanDerWaalsContact CB-CD2 3.5Å; C53-H70 WeakPolarHBondContact CB-CD2 3.41Å; S56-H70 VanDerWaalsContact CB-CD2 3.47Å; S56-H70 WeakPolarHBondContact CB-CD2 3.45Å; C61-H70 VanDerWaalsContact SG-CE1 3.52Å; C61-H70 PolarHBondContact SG-NE2 3.07Å; R63-H70 PolarHBondContact O-CE1 2.87Å; C66-H70 WeakPolarHBondContact CB-NE2 3.4Å; C66-H70 PolarHBondContact SG-NE2 3.32Å; Y68-H70 PolarHBondContact O-N 3.13Å
71P90.7Very high89.9Confident15 Ų1570.6 Ų70.610%0.09736%0.355CS..  trans-76.8143.9-171.830.3-34.1000111.9L16 A52 S56 L57 L69 L75 K76 L79L16-P71 HydrophobicContact CD1-CB 3.98Å; A52-P71 HydrophobicContact CB-CG 4.24Å; S56-P71 WeakPolarHBondContact OG-CD 3.4Å; L57-P71 HydrophobicContact CD2-CG 3.66Å; L69-P71 VanDerWaalsContact O-CD 3.28Å; L69-P71 WeakPolarHBondContact O-CD 3.35Å; P71-L75 HydrophobicContact CB-CB 3.91Å; P71-K76 HydrophobicContact CG-CB 4.27Å; P71-L79 HydrophobicContact CB-CD1 4.3Å; P71-L79 HydrophobicContact CG-CD1 3.92Å
72P92.4Very high89.9Confident8 Ų872 Ų725%0.05236%0.36CS..  trans-63.6162.5172.928.7-36.8000111.4D31 N32 H74 L75 K76D31-P72 WeakPolarHBondContact O-CG 3.43Å; D31-P72 VanDerWaalsContact OD1-CD 3.24Å; D31-P72 WeakPolarHBondContact OD1-CD 3.34Å; D31-P72 WeakPolarHBondContact OD1-CG 3.45Å; N32-P72 WeakPolarHBondContact OD1-CB 3.5Å; P72-H74 VanDerWaalsContact C-N 3.32Å; P72-H74 WeakPolarHBondContact CG-CE1 3.17Å; P72-H74 PolarHBondContact O-N 3.4Å; P72-H74 VanDerWaalsContact O-N 3.14Å; P72-L75 HydrophobicContact CG-CB 4.17Å; P72-L75 HydrophobicContact CG-CD1 3.89Å; P72-L75 HydrophobicContact CG-CG 4.13Å; P72-L75 PolarHBondContact O-N 3.43Å; P72-K76 PolarHBondContact O-N 3.35Å
73P90.1Very high90Very high90 Ų9067.2 Ų67.258%0.58433%0.328SS*.Hα-helixtrans-56.3-38-164.918.4-32.5000114.8K76 T77P73-K76 PolarHBondContact O-N 3.11Å; P73-T77 PolarHBondContact O-N 3.03Å; P73-T77 PolarHBondContact O-OG1 2.73Å
74H91.3Very high90Very high68 Ų6865.7 Ų65.732%0.31532%0.322SS..Hα-helixtrans-66.1-44.6176.858.6-58.5000112.6D31 N32 C34 P72 T77 Q78D31-H74 PolarHBondContact O-CE1 3.31Å; D31-H74 VanDerWaalsContact O-CE1 3.28Å; N32-H74 VanDerWaalsContact C-CE1 3.47Å; N32-H74 PolarHBondContact O-CE1 2.8Å; C34-H74 PolarHBondContact O-NE2 3.05Å; P72-H74 VanDerWaalsContact C-N 3.32Å; P72-H74 WeakPolarHBondContact CG-CE1 3.17Å; P72-H74 PolarHBondContact O-N 3.4Å; P72-H74 VanDerWaalsContact O-N 3.14Å; H74-T77 PolarHBondContact O-N 3.32Å; H74-Q78 PolarHBondContact O-N 3.33Å
75L92.4Very high90.6Very high2 Ų261.4 Ų61.41%0.0131%0.305CS..Hα-helixtrans-70-34.4176.7-69.2-177.3000111.9L16 A37 P71 P72 Q78 L79L16-L75 HydrophobicContact CD1-CB 4.06Å; L16-L75 HydrophobicContact CD1-CD1 4.22Å; L16-L75 HydrophobicContact CD2-CD2 4.3Å; A37-L75 HydrophobicContact CB-CD1 4.35Å; P71-L75 HydrophobicContact CB-CB 3.91Å; P72-L75 HydrophobicContact CG-CB 4.17Å; P72-L75 HydrophobicContact CG-CD1 3.89Å; P72-L75 HydrophobicContact CG-CG 4.13Å; P72-L75 PolarHBondContact O-N 3.43Å; L75-Q78 PolarHBondContact O-N 3.43Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.34Å
76K92.6Very high90.9Very high61 Ų6156.5 Ų56.527%0.26528%0.279SS..Hα-helixtrans-58.8-51.6170.2167.2168.5179.3166.90111.4L57 P71 P72 P73 Q78 L79 E80L57-K76 HydrophobicContact CD2-CB 4Å; L57-K76 HydrophobicContact CD2-CD 4.47Å; L57-K76 HydrophobicContact CD2-CG 3.77Å; L57-K76 WeakPolarHBondContact O-CE 3.43Å; L57-K76 PolarHBondContact O-NZ 3.44Å; P71-K76 HydrophobicContact CG-CB 4.27Å; P72-K76 PolarHBondContact O-N 3.35Å; P73-K76 PolarHBondContact O-N 3.11Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 2.96Å; K76-L79 PolarHBondContact O-N 3.36Å; K76-E80 WeakPolarHBondContact CE-OE1 3.39Å; K76-E80 PolarHBondContact O-N 2.86Å
77T92.3Very high90.9Very high76 Ų7659.9 Ų59.947%0.46630%0.296SS..Hα-helixtrans-59.4-40.7177.7-56.10000111.4P73 H74 E80 I81P73-T77 PolarHBondContact O-N 3.03Å; P73-T77 PolarHBondContact O-OG1 2.73Å; H74-T77 PolarHBondContact O-N 3.32Å; T77-E80 PolarHBondContact O-N 2.95Å; T77-I81 HydrophobicContact CG2-CD1 4.07Å; T77-I81 WeakPolarHBondContact O-CG1 3.32Å; T77-I81 PolarHBondContact O-N 3.5Å
78Q92Very high90.8Very high91 Ų9159.3 Ų59.343%0.42530%0.296SS..Hα-helixtrans-61.4-44175.8-173.3177.8-2.200112.5H74 L75 K76 I81 N82H74-Q78 PolarHBondContact O-N 3.33Å; L75-Q78 PolarHBondContact O-N 3.43Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 2.96Å; Q78-I81 PolarHBondContact O-N 3.09Å; Q78-N82 VanDerWaalsContact O-CG 3.25Å; Q78-N82 PolarHBondContact O-N 2.76Å; Q78-N82 PolarHBondContact O-ND2 3.4Å
79L92.6Very high90.6Very high0 Ų060.6 Ų60.60%031%0.306CS..Hα-helixtrans-65-38.8176.5-77.8169.5000112.8W13 L16 A52 L57 P71 L75 K76 I81 N82 G83W13-L79 WeakPolarHBondContact O-CD2 3.16Å; L16-L79 HydrophobicContact CD1-CD1 3.66Å; L16-L79 HydrophobicContact CD1-CG 4.28Å; L16-L79 HydrophobicContact CD2-CD1 4.2Å; L16-L79 HydrophobicContact CD2-CD2 3.96Å; L16-L79 HydrophobicContact CD2-CG 3.89Å; L16-L79 HydrophobicContact CG-CD1 3.84Å; L16-L79 HydrophobicContact CG-CD2 3.99Å; L16-L79 HydrophobicContact CG-CG 4.03Å; A52-L79 HydrophobicContact CB-CD1 3.39Å; L57-L79 HydrophobicContact CD1-CB 4.14Å; L57-L79 HydrophobicContact CD1-CD1 4.28Å; L57-L79 HydrophobicContact CD2-CB 4.09Å; L57-L79 HydrophobicContact CD2-CD1 3.94Å; P71-L79 HydrophobicContact CB-CD1 4.3Å; P71-L79 HydrophobicContact CG-CD1 3.92Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.34Å; K76-L79 PolarHBondContact O-N 3.36Å; L79-I81 VanDerWaalsContact C-N 3.34Å; L79-I81 PolarHBondContact O-N 3.42Å; L79-N82 PolarHBondContact O-N 2.99Å; L79-G83 PolarHBondContact O-N 3.09Å
80E91.4Very high90.2Very high54 Ų5465 Ų6525%0.25233%0.327SS..Hα-helixtrans-64.9-37.2175.2-72.3-177.3-163.500112.7K76 T77 R84K76-E80 WeakPolarHBondContact CE-OE1 3.39Å; K76-E80 PolarHBondContact O-N 2.86Å; T77-E80 PolarHBondContact O-N 2.95Å; E80-R84 VanDerWaalsContact O-CG 3.3Å; E80-R84 WeakPolarHBondContact O-CG 3.3Å; E80-R84 PolarHBondContact O-N 3.38Å; E80-R84 VanDerWaalsContact O-N 3.11Å; E80-R84 PolarHBondContact O-NE 3.49Å; E80-R84 IonicContact OE2-NH2 2.66Å; E80-R84 PolarHBondContact OE2-NH2 2.76Å
81I91.2Very high90Very high83 Ų8368.1 Ų68.143%0.42634%0.339SS..Hα-helixtrans-66-45.6173.4-67.9163.7000110.1T77 Q78 L79 G83 R84 N85T77-I81 HydrophobicContact CG2-CD1 4.07Å; T77-I81 WeakPolarHBondContact O-CG1 3.32Å; T77-I81 PolarHBondContact O-N 3.5Å; Q78-I81 PolarHBondContact O-N 3.09Å; L79-I81 VanDerWaalsContact C-N 3.34Å; L79-I81 PolarHBondContact O-N 3.42Å; I81-G83 PolarHBondContact O-N 3.34Å; I81-R84 PolarHBondContact O-N 3.49Å; I81-N85 PolarHBondContact O-N 2.83Å; I81-N85 PolarHBondContact O-ND2 2.87Å
82N91Very high89.7Confident61 Ų6172 Ų7233%0.32636%0.359SS..Hα-helixtrans-59.8-43.3176.6-71.3-19.1000112.2Q78 L79 N85 N86Q78-N82 VanDerWaalsContact O-CG 3.25Å; Q78-N82 PolarHBondContact O-N 2.76Å; Q78-N82 PolarHBondContact O-ND2 3.4Å; L79-N82 PolarHBondContact O-N 2.99Å; N82-N85 PolarHBondContact O-N 2.72Å; N82-N86 WeakPolarHBondContact O-CB 3.43Å; N82-N86 PolarHBondContact O-N 2.98Å
83G90.6Very high89.1Confident12 Ų1277.8 Ų77.812%0.12439%0.387CS..Hα-helixtrans-63.7-40.2176.700000113.4L79 I81 N86 L87L79-G83 PolarHBondContact O-N 3.09Å; I81-G83 PolarHBondContact O-N 3.34Å; G83-N86 PolarHBondContact O-N 3.42Å; G83-L87 WeakPolarHBondContact O-CB 3.33Å; G83-L87 PolarHBondContact O-N 3.32Å
84R89.9Confident88.7Confident146 Ų14676.4 Ų76.455%0.55138%0.383SS*.Hα-helixtrans-62.1-46.6172.7-70.6174.9-133-172.80.6111.4E80 I81 N86 L87 I88E80-R84 VanDerWaalsContact O-CG 3.3Å; E80-R84 WeakPolarHBondContact O-CG 3.3Å; E80-R84 PolarHBondContact O-N 3.38Å; E80-R84 VanDerWaalsContact O-N 3.11Å; E80-R84 PolarHBondContact O-NE 3.49Å; E80-R84 IonicContact OE2-NH2 2.66Å; E80-R84 PolarHBondContact OE2-NH2 2.76Å; I81-R84 PolarHBondContact O-N 3.49Å; R84-N86 PolarHBondContact O-N 2.66Å; R84-L87 PolarHBondContact O-N 3.29Å; R84-I88 VanDerWaalsContact O-CG1 3.32Å; R84-I88 WeakPolarHBondContact O-CG1 3.49Å; R84-I88 PolarHBondContact O-N 3.33Å
85N90.6Very high88.3Confident80 Ų8078.8 Ų78.843%0.42840%0.395SS..Hα-helixtrans-63.3-41.3178.7-73-29.5000112.2I81 N82 I88 Q89I81-N85 PolarHBondContact O-N 2.83Å; I81-N85 PolarHBondContact O-ND2 2.87Å; N82-N85 PolarHBondContact O-N 2.72Å; N85-I88 PolarHBondContact O-N 3.29Å; N85-Q89 WeakPolarHBondContact O-CB 3.47Å; N85-Q89 WeakPolarHBondContact O-CG 3.49Å; N85-Q89 PolarHBondContact O-N 3.02Å
86N89.3Confident87.9Confident35 Ų3583.5 Ų83.519%0.18742%0.42CS..Hα-helixtrans-64.5-40.3176.8-176.3-113.1000111.7W13 N82 G83 R84 Q89 Q90W13-N86 HydrophobicContact CB-CB 3.96Å; W13-N86 VanDerWaalsContact CD1-OD1 3.32Å; W13-N86 HydrophobicContact CG-CB 4.29Å; N82-N86 WeakPolarHBondContact O-CB 3.43Å; N82-N86 PolarHBondContact O-N 2.98Å; G83-N86 PolarHBondContact O-N 3.42Å; R84-N86 PolarHBondContact O-N 2.66Å; N86-Q89 PolarHBondContact O-N 3.49Å; N86-Q90 WeakPolarHBondContact O-CB 3.18Å; N86-Q90 PolarHBondContact O-N 3.48Å
87L86.6Confident87.1Confident87 Ų8782.7 Ų82.746%0.45543%0.425SS..Hα-helixtrans-65.5-38.5173.9-176.762.8000112.8G83 R84 Q90 K91G83-L87 WeakPolarHBondContact O-CB 3.33Å; G83-L87 PolarHBondContact O-N 3.32Å; R84-L87 PolarHBondContact O-N 3.29Å; L87-Q90 PolarHBondContact O-N 3.05Å; L87-K91 WeakPolarHBondContact O-CB 3.32Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 2.98Å
88I87Confident86.4Confident91 Ų9185.9 Ų85.947%0.46744%0.435SS..Hα-helixtrans-64.6-45.4174.1-67.7163.1000110.2R84 N85 Q90 K91 N92R84-I88 VanDerWaalsContact O-CG1 3.32Å; R84-I88 WeakPolarHBondContact O-CG1 3.49Å; R84-I88 PolarHBondContact O-N 3.33Å; N85-I88 PolarHBondContact O-N 3.29Å; I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 3.31Å; I88-K91 PolarHBondContact O-N 3.32Å; I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 2.9Å; I88-N92 PolarHBondContact O-OD1 3.21Å
89Q85.9Confident85.5Confident129 Ų12987.5 Ų87.560%0.60344%0.442SS*.Hα-helixtrans-60.2-42.6175.5-74.2173.3-18.900112N85 N86 N92 M93N85-Q89 WeakPolarHBondContact O-CB 3.47Å; N85-Q89 WeakPolarHBondContact O-CG 3.49Å; N85-Q89 PolarHBondContact O-N 3.02Å; N86-Q89 PolarHBondContact O-N 3.49Å; Q89-N92 PolarHBondContact O-N 3.19Å; Q89-M93 WeakPolarHBondContact O-CB 3.36Å; Q89-M93 PolarHBondContact O-N 3.43Å
90Q83.6Confident84.2Confident103 Ų10394.2 Ų94.248%0.48148%0.475SS..Hα-helixtrans-63.8-43.8176.9-171.5178.462.900111.8N86 L87 I88 M93 A94N86-Q90 WeakPolarHBondContact O-CB 3.18Å; N86-Q90 PolarHBondContact O-N 3.48Å; L87-Q90 PolarHBondContact O-N 3.05Å; I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 3.31Å; Q90-M93 PolarHBondContact O-N 3.07Å; Q90-A94 WeakPolarHBondContact O-CB 3.17Å; Q90-A94 PolarHBondContact O-N 3.14Å
91K85.5Confident83.1Confident139 Ų13998.7 Ų98.760%0.60450%0.496SS*.Hα-helixtrans-64-42.8174.5-77-173.1174.2-169.50112.5L87 I88 M93 A94 M95L87-K91 WeakPolarHBondContact O-CB 3.32Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 2.98Å; I88-K91 PolarHBondContact O-N 3.32Å; K91-M93 VanDerWaalsContact C-N 3.34Å; K91-M93 PolarHBondContact O-N 3.36Å; K91-A94 PolarHBondContact O-N 2.87Å; K91-M95 WeakPolarHBondContact O-CB 3.35Å; K91-M95 PolarHBondContact O-N 2.87Å
92N85.6Confident81.9Confident95 Ų95100 Ų10051%0.50850%0.503SS..Hα-helixtrans-64-40.2177.3-69.93.1000111.5I88 Q89 L96I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 2.9Å; I88-N92 PolarHBondContact O-OD1 3.21Å; Q89-N92 PolarHBondContact O-N 3.19Å; N92-L96 VanDerWaalsContact O-CB 3.3Å; N92-L96 WeakPolarHBondContact O-CB 2.86Å; N92-L96 PolarHBondContact O-N 2.85Å
93M79.4Confident80.3Confident131 Ų131100.1 Ų100.165%0.64551%0.513SS*.Hα-helixtrans-64.6-44.9175-173.16984.200111.7Q89 Q90 K91 L96 A97Q89-M93 WeakPolarHBondContact O-CB 3.36Å; Q89-M93 PolarHBondContact O-N 3.43Å; Q90-M93 PolarHBondContact O-N 3.07Å; K91-M93 VanDerWaalsContact C-N 3.34Å; K91-M93 PolarHBondContact O-N 3.36Å; M93-L96 PolarHBondContact O-N 3.43Å; M93-A97 WeakPolarHBondContact O-CB 3.49Å; M93-A97 PolarHBondContact O-N 3.01Å
94A82.8Confident78.8Confident60 Ų60106.3 Ų106.350%0.49654%0.543SS..Hα-helixtrans-64-41.7177.200000112.3Q90 K91 A97 Q98Q90-A94 WeakPolarHBondContact O-CB 3.17Å; Q90-A94 PolarHBondContact O-N 3.14Å; K91-A94 PolarHBondContact O-N 2.87Å; A94-A97 PolarHBondContact O-N 3.4Å; A94-Q98 WeakPolarHBondContact O-CB 3.44Å; A94-Q98 PolarHBondContact O-N 3.21Å
95M81.9Confident77.2Confident118 Ų118103.1 Ų103.158%0.58155%0.548SS*.Hα-helixtrans-64.3-42.8175.7-170.7-170.181.700111.8K91 Q98 Q99K91-M95 WeakPolarHBondContact O-CB 3.35Å; K91-M95 PolarHBondContact O-N 2.87Å; M95-Q98 PolarHBondContact O-N 3.49Å; M95-Q99 PolarHBondContact O-N 3.42Å
96L83.7Confident75.4Confident102 Ų102106 Ų10653%0.53456%0.561SS.*Hα-helixtrans-64.9-42176.3-178.962.2000111.7N92 M93 Q99 M100N92-L96 VanDerWaalsContact O-CB 3.3Å; N92-L96 WeakPolarHBondContact O-CB 2.86Å; N92-L96 PolarHBondContact O-N 2.85Å; M93-L96 PolarHBondContact O-N 3.43Å; L96-Q99 PolarHBondContact O-N 3Å; L96-M100 PolarHBondContact O-N 3.26Å
97A76.9Confident73.6Confident44 Ų44111 Ų11136%0.36459%0.585SS.*Hα-helixtrans-60.6-44.617400000111.4M93 A94 Q99 M100 Q101M93-A97 WeakPolarHBondContact O-CB 3.49Å; M93-A97 PolarHBondContact O-N 3.01Å; A94-A97 PolarHBondContact O-N 3.4Å; A97-Q99 PolarHBondContact O-N 3.39Å; A97-M100 PolarHBondContact O-N 3.49Å; A97-Q101 PolarHBondContact O-N 2.78Å
98Q77.9Confident71.8Confident143 Ų143112.8 Ų112.867%0.66860%0.602SS**Hα-helixtrans-63.9-38.1176.4-169.8171.112.900112.4A94 M95 Q101 L102A94-Q98 WeakPolarHBondContact O-CB 3.44Å; A94-Q98 PolarHBondContact O-N 3.21Å; M95-Q98 PolarHBondContact O-N 3.49Å; Q98-Q101 PolarHBondContact O-N 3.12Å; Q98-L102 PolarHBondContact O-N 2.94Å
99Q71.2Confident70.2Confident125 Ų125111.9 Ų111.958%0.58462%0.616SS**Hα-helixtrans-64.7-40.1173.9-172.6170.724.600111.9M95 L96 A97 L102 A103M95-Q99 PolarHBondContact O-N 3.42Å; L96-Q99 PolarHBondContact O-N 3Å; A97-Q99 PolarHBondContact O-N 3.39Å; Q99-L102 PolarHBondContact O-N 3.31Å; Q99-A103 PolarHBondContact O-N 3.35Å
100M67.3Low68.2Low140 Ų140110 Ų11069%0.6962%0.623SS**Hα-helixtrans-67.5-38.4175.8-161.7171.676.400111.8L96 A97 L102 A103 N104L96-M100 PolarHBondContact O-N 3.26Å; A97-M100 PolarHBondContact O-N 3.49Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.44Å; M100-A103 PolarHBondContact O-N 2.89Å; M100-N104 PolarHBondContact O-N 3.02Å; M100-N104 VanDerWaalsContact O-N 3.12Å
101Q66.4Low66.4Low148 Ų148112.9 Ų112.969%0.69264%0.636SS**Hα-helixtrans-60.5-42.1172.8-134.8100.424.900111.8A97 Q98 N104 A105A97-Q101 PolarHBondContact O-N 2.78Å; Q98-Q101 PolarHBondContact O-N 3.12Å; Q101-N104 PolarHBondContact O-N 2.97Å; Q101-A105 PolarHBondContact O-N 3.32Å
102L66.1Low64.3Low111 Ų111114.1 Ų114.158%0.58165%0.648SS**Hα-helixtrans-71.4-38.3-179.5-160.474.8000112.2Q98 Q99 M100 N104 A105 M106Q98-L102 PolarHBondContact O-N 2.94Å; Q99-L102 PolarHBondContact O-N 3.31Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.44Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-N104 PolarHBondContact O-N 2.87Å; L102-A105 PolarHBondContact O-N 3.44Å; L102-A105 VanDerWaalsContact O-N 3.11Å; L102-M106 PolarHBondContact O-N 3.3Å
103A57.8Low62.2Low63 Ų63116.9 Ų116.952%0.52166%0.658SS.*Hα-helixtrans-61.5-40.2173.800000111.9Q99 M100 A105 M106Q99-A103 PolarHBondContact O-N 3.35Å; M100-A103 PolarHBondContact O-N 2.89Å; A103-A105 PolarHBondContact O-N 3.2Å; A103-M106 PolarHBondContact O-N 2.95Å; A103-M106 VanDerWaalsContact O-N 3.16Å
104N58.6Low60.5Low143 Ų143116.2 Ų116.277%0.76566%0.664SS**Hα-helixtrans-68.7-16.8175.9-12465000113.5M100 Q101 L102M100-N104 PolarHBondContact O-N 3.02Å; M100-N104 VanDerWaalsContact O-N 3.12Å; Q101-N104 PolarHBondContact O-N 2.97Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-N104 PolarHBondContact O-N 2.87Å
105A58.3Low58.9Low79 Ų79119.4 Ų119.465%0.65368%0.676SS**THydrogen-bonded Turntrans-92.1-1.9175.100000113.6Q101 L102 A103Q101-A105 PolarHBondContact O-N 3.32Å; L102-A105 PolarHBondContact O-N 3.44Å; L102-A105 VanDerWaalsContact O-N 3.11Å; A103-A105 PolarHBondContact O-N 3.2Å
106M51.8Low57.3Low141 Ų141119.3 Ų119.370%0.69569%0.685SS**  trans-112.227.4-176.8-74.6-168.416300114.3L102 A103 P108L102-M106 PolarHBondContact O-N 3.3Å; A103-M106 PolarHBondContact O-N 2.95Å; A103-M106 VanDerWaalsContact O-N 3.16Å; M106-P108 WeakPolarHBondContact O-CD 3.49Å
107I51.8Low55.2Low138 Ų138122.9 Ų122.971%0.70870%0.701SS**  trans-108.397.1161.5-57.4-176.3000109.4
108P48Very low53.4Low125 Ų125129.8 Ų129.881%0.81272%0.723SS**  trans-76.4121.2163.5-4.121.9000109.5M106M106-P108 WeakPolarHBondContact O-CD 3.49Å
109G53.9Low51.3Low72 Ų72128.3 Ų128.374%0.74273%0.728SS**  trans92.877.6157.700000117.5
110A44.8Very low50.2Low91 Ų91129.1 Ų129.175%0.75274%0.742SS**  trans-141.384.5144.400000109.1L112A110-L112 PolarHBondContact O-N 2.97Å
111Q44.4Very low49Very low163 Ų163128.6 Ų128.676%0.76275%0.746SS**  trans-67.3108.1170.6-74.4-820.900109
112L41.1Very low48.2Very low164 Ų164127 Ų12786%0.85975%0.749SS**  trans-112.3109.6158.4-72.8178.7000108.3A110A110-L112 PolarHBondContact O-N 2.97Å
113Q41.3Very low46.6Very low153 Ų153127.4 Ų127.472%0.71576%0.761SS**  trans-64.3134.2-176.6-67.7-88.1-65.900111.1V115Q113-V115 PolarHBondContact O-N 3.41Å
114P44.8Very low45.5Very low118 Ų118132.5 Ų132.577%0.76678%0.779SS**  trans-76.3111.3159.430.6-28.6000108.7
115V49.6Very low44.3Very low126 Ų126129.6 Ų129.676%0.76478%0.775SS**  trans-67.2128.6172.9-76.80000110.5Q113 M117Q113-V115 PolarHBondContact O-N 3.41Å; V115-M117 PolarHBondContact O-N 3.09Å
116P47.8Very low43Very low117 Ų117131.3 Ų131.376%0.7678%0.777SS**  trans-82.9113.6172.931.7-30.4000109.6
117M40.4Very low42.1Very low176 Ų176131.7 Ų131.787%0.86778%0.782SS**PPolyproline II helixtrans-102.5137.1163.8-90.8-81.3-93.600109.5V115V115-M117 PolarHBondContact O-N 3.09Å
118F38.1Very low41.1Very low189 Ų189129.5 Ų129.583%0.82979%0.785SS**PPolyproline II helixtrans-70.7139.5-160.5-67.4-101.1000113.1V120F118-V120 PolarHBondContact O-N 3.07Å
119S34.6Very low40.3Very low112 Ų112128.1 Ų128.178%0.78378%0.783SS**PPolyproline II helixtrans-75.9116.7167.751.60000110.9
120V46.4Very low39.2Very low142 Ų142129.6 Ų129.686%0.86179%0.789SS**  trans-108.6139156.6-82.80000109F118F118-V120 PolarHBondContact O-N 3.07Å
121T42.1Very low38.5Very low129 Ų129129.6 Ų129.679%0.79179%0.789SS**  trans-98.9-172-168.864.80000110.4
122P51.4Low37.8Very low115 Ų115126.4 Ų126.475%0.74779%0.79SS**  -118.2162-118.622.70.7000114.6
123S32.3Very low37.3Very low119 Ų119123 Ų12383%0.83279%0.786SS**  trans-161.9117.3149.3-86.50000113.8
124L34.3Very low36.9Very low171 Ų171120.4 Ų120.490%0.89579%0.791SS**  29.2115.7129.9-168.470.4000119.4
125A32.7Very low36.4Very low82 Ų82119.2 Ų119.268%0.67879%0.79SS**  179.4127.3114.100000114.8
126T32.1Very low35.9Very low114 Ų114117.5 Ų117.570%0.69979%0.79SS**  trans48.5118.5145.445.60000124.4
127N31.4Very low35.1Very low150 Ų150122.2 Ų122.280%0.80280%0.799SS**  85.1139.3120.9-65.4-11.7000123.5
128A31.4Very low35.1Very low92 Ų92121 Ų12176%0.7680%0.796SS**  trans58.3116.5154.800000117.9
129A31.3Very low35.4Very low95 Ų95117 Ų11779%0.78579%0.789SS**  77.5135.851.200000114.4
130A31.4Very low35.2Very low104 Ų104121.7 Ų121.786%0.8679%0.791SS**  trans63.5151.6178.200000115.5
131A30.1Very low34.7Very low91 Ų91122.6 Ų122.675%0.75279%0.79SS**  cis155.7159.5-20.400000106
132A30Very low34.4Very low95 Ų95119.8 Ų119.879%0.78579%0.786SS**  trans67.6113.7156.500000120.4
133A29.4Very low34.7Very low94 Ų94120 Ų12078%0.77779%0.788SS**  75.7116.911700000122.7
134A33Very low34.9Very low98 Ų98121 Ų12181%0.8179%0.788SS**  78.5165.2123.500000121.1
135A34.6Very low35Very low92 Ų92118.3 Ų118.376%0.7678%0.784SS**  trans66.1118.7-173.200000113.9
136A38.1Very low35.6Very low91 Ų91120.3 Ų120.375%0.75279%0.79SS**  cis62.2105.333.800000113.9
137F32.4Very low35.6Very low215 Ų215118 Ų11894%0.94379%0.789SS**  trans-176.7119.1140.2-100.1-68.5000111.2
138N39.6Very low35.8Very low152 Ų152118.1 Ų118.181%0.81379%0.789SS**  trans-71.2171.7156.2-95.13.1000109.2
139P45.3Very low36.5Very low105 Ų105121 Ų12168%0.68279%0.788SS**  cis-150.6170.531.934.3-10.1000118.7
140Y30.5Very low37.1Very low209 Ų209122.7 Ų122.782%0.8279%0.791SS**  171151.2119.9-114.7-98.6000114.6
141L35.6Very low37.1Very low162 Ų162122.6 Ų122.685%0.84879%0.79SS**  trans72.7123.4166.2-58175.6000121.1
142G34.7Very low37.3Very low69 Ų69125 Ų12571%0.71179%0.791SS**  trans-102-154.215300000110.7
143P59Low37.4Very low121 Ų121128.5 Ų128.579%0.78679%0.794SS**  cis-141.1-156.221.538.6-15.2000115.1
144V35.8Very low37.5Very low138 Ų138131 Ų13184%0.83679%0.794SS**  trans96.4120.4165-430000120.8
145S36.3Very low38.4Very low115 Ų115131.5 Ų131.580%0.80479%0.789SS**  trans-106.8171.4160.9-36.30000108.3
146P45.9Very low38.2Very low125 Ų125133.3 Ų133.381%0.81280%0.796SS**  -153.8167.667.339.6-18.9000118.3
147G31.8Very low37.9Very low65 Ų65132.9 Ų132.967%0.6779%0.793SS**  trans81.1148.213800000118.6
148L36.3Very low38.5Very low153 Ų153129 Ų12980%0.80179%0.789SS**  cis-148.4150.618.3-67.4177.1000113.3
149M45.8Very low38.5Very low151 Ų151127.4 Ų127.474%0.74478%0.784SS**  trans-33.8155.9-17744.9-88.4177.500124.2
150P43.4Very low38Very low131 Ų131130.9 Ų130.985%0.85180%0.796SS**  trans-93.2174.7153.739.5-32.7000112.9
151A31.4Very low38.2Very low102 Ų102126.7 Ų126.784%0.84379%0.792SS**  trans-134.5146.5175.400000113.6
152D33.7Very low38.2Very low142 Ų142124.6 Ų124.676%0.75979%0.786SS**  trans-67.4161.3-174.5-95.3-93.1000116.8
153I32.3Very low37.9Very low168 Ų168126.8 Ų126.886%0.86279%0.791SS**  178.7131.8118.4-87.5153.9000111.1
154L31Very low37.3Very low148 Ų148128 Ų12878%0.77579%0.791SS**  trans-97.5-171.2174.8-80.7169.3000110.9
155P53Low37.7Very low108 Ų108126.7 Ų126.770%0.70179%0.785SS**  cis-130.2171-22.723.3-1.7000113.9
156S29.6Very low37.9Very low129 Ų129126.6 Ų126.690%0.90278%0.784SS**  trans-170.8125.2132.2-84.40000111.6
157A33.2Very low37.5Very low83 Ų83126.3 Ų126.369%0.68678%0.78SS**  trans-107.5168.5169.400000109.2
158P45.1Very low38Very low132 Ų132128.8 Ų128.886%0.85778%0.784SS**  -127.6147.678.935.1-26.3000114.6
159V38.3Very low38.5Very low119 Ų119126.7 Ų126.772%0.72178%0.778SS**  trans-69.1144.2169.8-780000112
160L34.6Very low38.7Very low179 Ų179124.2 Ų124.294%0.93777%0.773SS**  trans-131145.5135.7-92.8175.6000109.1
161V35.9Very low38.9Very low121 Ų121121.2 Ų121.273%0.73376%0.759SS**  trans-92144.6-147.4163.20000113.8
162T35.2Very low39.9Very low118 Ų118119.5 Ų119.572%0.72475%0.745SS**  trans-68135.6168.8166.70000112.5
163S29Very low40.8Very low115 Ų115116.1 Ų116.180%0.80474%0.737SS**  trans-143.882.3151.949.20000110.6
164N44.8Very low41.6Very low147 Ų147110.9 Ų110.979%0.78672%0.719SS**  trans-68.9144.1160.3-99.116.1000109.2
165P44.8Very low42.7Very low109 Ų109106 Ų10671%0.70870%0.7SS**  -138.214390.333.8-19.2000115.5
166S40.3Very low42.8Very low113 Ų113103.4 Ų103.479%0.7969%0.687SS**  trans51.385.1142.3-52.80000119.5
167V39.2Very low43.9Very low120 Ų12099 Ų9973%0.72766%0.659SS**  trans-139.1121.7152.3-166.40000110.3
168P41.5Very low44.8Very low116 Ų11697.4 Ų97.475%0.75365%0.645SS**  trans-70.8130.8168.229.6-32.2000109.5P170P168-P170 VanDerWaalsContact C-CD 3.48Å; P168-P170 WeakPolarHBondContact O-CD 3.36Å
169V46.1Very low45.4Very low110 Ų11097.2 Ų97.267%0.66763%0.633SS**  trans-103.197.1-174.5-176.10000112.3A172V169-A172 HydrophobicContact CG1-CB 3.97Å
170P50.5Low46.2Very low99 Ų9997.8 Ų97.864%0.64363%0.626SS**  trans-99-6151.435-30.7000112.2P168 A174P168-P170 VanDerWaalsContact C-CD 3.48Å; P168-P170 WeakPolarHBondContact O-CD 3.36Å; P170-A174 PolarHBondContact O-N 2.91Å
171A48.4Very low47.2Very low68 Ų6893.2 Ų93.256%0.56260%0.602SS**Hα-helixtrans-69.9-37.7-17100000114.4A174 A175A171-A174 PolarHBondContact O-N 3.43Å; A171-A175 WeakPolarHBondContact O-CB 3.32Å; A171-A175 PolarHBondContact O-N 3.39Å
172A51.4Low48.1Very low65 Ų6594.4 Ų94.454%0.53760%0.601SS.*Hα-helixtrans-68.6-40.5-175.900000113V169 A175 A176V169-A172 HydrophobicContact CG1-CB 3.97Å; A172-A175 PolarHBondContact O-N 3.38Å; A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 2.99Å
173A52.5Low49.7Very low72 Ų7298.5 Ų98.560%0.59560%0.603SS**Hα-helixtrans-68.7-39.6175.900000111.8A176 A177A173-A176 PolarHBondContact O-N 3.03Å; A173-A177 WeakPolarHBondContact O-CB 3.49Å; A173-A177 PolarHBondContact O-N 3.27Å
174A49.8Very low52Low58 Ų5893.7 Ų93.748%0.47957%0.569SS.*Hα-helixtrans-64.1-41.1173.700000112P170 A171 A177 A178P170-A174 PolarHBondContact O-N 2.91Å; A171-A174 PolarHBondContact O-N 3.43Å; A174-A177 PolarHBondContact O-N 3.1Å; A174-A178 VanDerWaalsContact O-CB 3.26Å; A174-A178 WeakPolarHBondContact O-CB 2.95Å; A174-A178 PolarHBondContact O-N 3.44Å
175A53.5Low53.9Low46 Ų4688.5 Ų88.538%0.3854%0.541SS..Hα-helixtrans-64-43.2174.400000112.1A171 A172 A178 Q179A171-A175 WeakPolarHBondContact O-CB 3.32Å; A171-A175 PolarHBondContact O-N 3.39Å; A172-A175 PolarHBondContact O-N 3.38Å; A175-A178 PolarHBondContact O-N 2.94Å; A175-Q179 WeakPolarHBondContact O-CB 3.32Å; A175-Q179 VanDerWaalsContact O-CG 3.27Å; A175-Q179 WeakPolarHBondContact O-CG 3.46Å; A175-Q179 PolarHBondContact O-N 3.35Å
176A55.9Low55.9Low53 Ų5388.1 Ų88.144%0.43853%0.526SS..Hα-helixtrans-64.9-38.4175.900000112.6A172 A173 K180A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 2.99Å; A173-A176 PolarHBondContact O-N 3.03Å; A176-K180 WeakPolarHBondContact O-CB 3.03Å; A176-K180 PolarHBondContact O-N 3.27Å
177A52.1Low58.3Low37 Ų3783.2 Ų83.231%0.30649%0.491SS..Hα-helixtrans-67.9-41.6173.800000112.1A173 A174 K180 L181A173-A177 WeakPolarHBondContact O-CB 3.49Å; A173-A177 PolarHBondContact O-N 3.27Å; A174-A177 PolarHBondContact O-N 3.1Å; A177-K180 PolarHBondContact O-N 3.49Å; A177-L181 WeakPolarHBondContact O-CB 3.31Å; A177-L181 PolarHBondContact O-N 2.92Å
178A51.9Low60.7Low49 Ų4983 Ų8341%0.40548%0.482SS..Hα-helixtrans-64.4-42.9174.800000111.8A174 A175 L181 M182A174-A178 VanDerWaalsContact O-CB 3.26Å; A174-A178 WeakPolarHBondContact O-CB 2.95Å; A174-A178 PolarHBondContact O-N 3.44Å; A175-A178 PolarHBondContact O-N 2.94Å; A178-L181 WeakPolarHBondContact O-CB 3.49Å; A178-L181 PolarHBondContact O-N 3.42Å; A178-M182 WeakPolarHBondContact O-CG 3.23Å; A178-M182 PolarHBondContact O-N 3.4Å
179Q56.9Low63.1Low128 Ų12877.9 Ų77.960%0.59845%0.448SS*.Hα-helixtrans-63.6-39.4173.1-74174.80.800112A175 L181 M182 R183A175-Q179 WeakPolarHBondContact O-CB 3.32Å; A175-Q179 VanDerWaalsContact O-CG 3.27Å; A175-Q179 WeakPolarHBondContact O-CG 3.46Å; A175-Q179 PolarHBondContact O-N 3.35Å; Q179-L181 VanDerWaalsContact C-N 3.32Å; Q179-L181 PolarHBondContact O-N 2.87Å; Q179-M182 PolarHBondContact O-N 2.87Å; Q179-R183 WeakPolarHBondContact O-CG 3.48Å; Q179-R183 PolarHBondContact O-N 3.34Å
180K56Low65.2Low130 Ų13072.6 Ų72.657%0.56542%0.416SS*.Hα-helixtrans-62.9-37.5171.5-104-167.8171.3-168.60112.5A176 A177 R183 T184 V259A176-K180 WeakPolarHBondContact O-CB 3.03Å; A176-K180 PolarHBondContact O-N 3.27Å; A177-K180 PolarHBondContact O-N 3.49Å; K180-R183 PolarHBondContact O-N 2.96Å; K180-T184 PolarHBondContact O-N 3.05Å; K180-V259 HydrophobicContact CB-CG1 4.3Å; K180-V259 HydrophobicContact CB-CG2 4.25Å
181L54.8Low67.1Low84 Ų8475.7 Ų75.744%0.4442%0.415SS..Hα-helixtrans-67.9-43.4175.5-170.866.7000111.1A177 A178 Q179 R183 T184 V259A177-L181 WeakPolarHBondContact O-CB 3.31Å; A177-L181 PolarHBondContact O-N 2.92Å; A178-L181 WeakPolarHBondContact O-CB 3.49Å; A178-L181 PolarHBondContact O-N 3.42Å; Q179-L181 VanDerWaalsContact C-N 3.32Å; Q179-L181 PolarHBondContact O-N 2.87Å; L181-R183 VanDerWaalsContact C-N 3.33Å; L181-R183 PolarHBondContact O-N 2.98Å; L181-T184 WeakPolarHBondContact O-CB 3.43Å; L181-T184 WeakPolarHBondContact O-CG2 3.42Å; L181-T184 PolarHBondContact O-N 3.27Å; L181-V259 HydrophobicContact CB-CG1 4.24Å; L181-V259 HydrophobicContact CD1-CG1 4.21Å
182M56.8Low69.1Low145 Ų14576.6 Ų76.671%0.71441%0.408SS*.Hα-helixtrans-64.6-34.5175-67.1-173.885.600112.6A178 Q179 T184 D185A178-M182 WeakPolarHBondContact O-CG 3.23Å; A178-M182 PolarHBondContact O-N 3.4Å; Q179-M182 PolarHBondContact O-N 2.87Å; M182-T184 PolarHBondContact O-N 3.39Å; M182-D185 WeakPolarHBondContact O-CB 3.32Å; M182-D185 PolarHBondContact O-N 3.12Å
183R67.4Low70.9Confident204 Ų20477.8 Ų77.877%0.7740%0.399SS*.Hα-helixtrans-63.7-22.9173.8-83.5-176.4172.2178.5-1.5114.1Q179 K180 L181 D185 R186Q179-R183 WeakPolarHBondContact O-CG 3.48Å; Q179-R183 PolarHBondContact O-N 3.34Å; K180-R183 PolarHBondContact O-N 2.96Å; L181-R183 VanDerWaalsContact C-N 3.33Å; L181-R183 PolarHBondContact O-N 2.98Å; R183-D185 PolarHBondContact O-N 3.37Å; R183-R186 PolarHBondContact O-N 3.49Å
184T77.4Confident72.6Confident15 Ų1578.1 Ų78.19%0.09239%0.388CS..THydrogen-bonded Turntrans-71.4-16.3177.5-139.80000112.9K180 L181 M182 A255 Q256K180-T184 PolarHBondContact O-N 3.05Å; L181-T184 WeakPolarHBondContact O-CB 3.43Å; L181-T184 WeakPolarHBondContact O-CG2 3.42Å; L181-T184 PolarHBondContact O-N 3.27Å; M182-T184 PolarHBondContact O-N 3.39Å; T184-A255 WeakPolarHBondContact OG1-CB 3.37Å; T184-Q256 HydrophobicContact CG2-CG 3.39Å
185D83.9Confident74.5Confident37 Ų3784 Ų8420%0.19840%0.398CS..THydrogen-bonded Turntrans-91.40.1-179.2-167.735.7000113.6M182 R183 T224 V225 M227M182-D185 WeakPolarHBondContact O-CB 3.32Å; M182-D185 PolarHBondContact O-N 3.12Å; R183-D185 PolarHBondContact O-N 3.37Å; D185-T224 WeakPolarHBondContact OD2-CG2 3.41Å; D185-V225 PolarHBondContact O-N 2.88Å; D185-V225 WeakPolarHBondContact OD1-CB 3.47Å; D185-M227 HydrophobicContact CB-CE 4.15Å; D185-M227 HydrophobicContact CB-CG 4.4Å; D185-M227 WeakPolarHBondContact OD1-CE 3.48Å; D185-M227 VanDerWaalsContact OD1-CG 3.31Å; D185-M227 WeakPolarHBondContact OD1-CG 3.43Å
186R88.3Confident76.1Confident101 Ų10185 Ų8538%0.38141%0.414SS..EExtended strand (participates in β ladder)trans-113.2126.4178.4-66.7-146.3152.6-172.7-8.9111.6R183 D217 T222 V223 T224R183-R186 PolarHBondContact O-N 3.49Å; R186-D217 IonicContact CZ-OD2 3.9Å; R186-D217 IonicContact NH1-OD2 3.95Å; R186-D217 PolarHBondContact NH1-OD2 2.92Å; R186-D217 IonicContact NH2-OD2 3.88Å; R186-T222 HydrophobicContact CB-CG2 4.42Å; R186-V223 WeakPolarHBondContact CA-O 3.11Å; R186-T224 PolarHBondContact NE-OG1 3.5Å; R186-T224 PolarHBondContact NH2-OG1 2.88Å
187L89.3Confident77.7Confident10 Ų1088.2 Ų88.25%0.05242%0.423CS..EExtended strand (participates in β ladder)trans-107.4135172-74.9176000109.7A208 T222 V223 V225 F242 P244 L248 I252L187-A208 HydrophobicContact CB-CB 4.04Å; L187-A208 HydrophobicContact CD1-CB 4.22Å; L187-T222 CarbonylContact O-C 3.57Å; L187-T222 VanDerWaalsContact O-CA 3.23Å; L187-T222 WeakPolarHBondContact O-CA 3.44Å; L187-T222 WeakPolarHBondContact O-CB 3.3Å; L187-V223 HydrophobicContact CB-CG2 4Å; L187-V223 PolarHBondContact N-O 3.17Å; L187-V223 PolarHBondContact O-N 3.38Å; L187-V225 HydrophobicContact CB-CG2 4.39Å; L187-V225 HydrophobicContact CD1-CG2 3.73Å; L187-V225 HydrophobicContact CG-CG2 3.78Å; L187-F242 HydrophobicContact CD1-CD1 4.35Å; L187-F242 HydrophobicContact CD1-CE1 4.32Å; L187-P244 HydrophobicContact CD1-CB 3.93Å; L187-P244 HydrophobicContact CD1-CG 4.4Å; L187-L248 HydrophobicContact CD1-CB 4.27Å; L187-L248 HydrophobicContact CD1-CD1 4.23Å; L187-I252 HydrophobicContact CD1-CD1 3.94Å; L187-I252 HydrophobicContact CD2-CD1 4.13Å; L187-I252 HydrophobicContact CD2-CG1 4.14Å; L187-I252 HydrophobicContact CG-CD1 4.05Å
188E90.2Very high79.5Confident117 Ų11787.8 Ų87.855%0.54742%0.418SS..EExtended strand (participates in β ladder)trans-67.7136.3168.4-69.2164.2-17500110.5F207 A208 T222E188-F207 HydrophobicContact CB-CD1 3.95Å; E188-F207 HydrophobicContact CB-CE1 4.44Å; E188-F207 WeakPolarHBondContact OE2-CE1 3.35Å; E188-A208 PolarHBondContact O-N 3.13Å; E188-T222 HydrophobicContact CG-CG2 4.22Å
189V91.3Very high81.2Confident7 Ų792.2 Ų92.24%0.04244%0.44CS..BIsolated β-bridgetrans-81.8140.6176.2176.70000110.6R191 A208 P210 I216 N221 V223V189-R191 PolarHBondContact O-N 3.46Å; V189-A208 WeakPolarHBondContact CA-O 3.39Å; V189-P210 HydrophobicContact CG1-CG 3.92Å; V189-P210 HydrophobicContact CG2-CG 3.91Å; V189-I216 HydrophobicContact CG1-CD1 4.29Å; V189-I216 HydrophobicContact CG2-CD1 4.39Å; V189-I216 HydrophobicContact CG2-CG1 4.21Å; V189-I216 HydrophobicContact CG2-CG2 4.15Å; V189-N221 WeakPolarHBondContact CB-O 3.4Å; V189-N221 WeakPolarHBondContact CG2-O 3.49Å; V189-N221 PolarHBondContact N-O 3.36Å; V189-V223 HydrophobicContact CG2-CB 4.44Å; V189-V223 HydrophobicContact CG2-CG1 3.57Å; V189-V223 HydrophobicContact CG2-CG2 4.3Å
190C91.3Very high82.6Confident0 Ų093.3 Ų93.30%044%0.439CS..PPolyproline II helixtrans-63.8116.3175179.70000110.3E192 Y193 Q194 C198 F207 A208 H209C190-E192 VanDerWaalsContact C-N 3.29Å; C190-E192 PolarHBondContact O-N 3.31Å; C190-E192 PolarHBondContact SG-OE2 3.34Å; C190-Y193 PolarHBondContact O-N 3.1Å; C190-Y193 PolarHBondContact SG-N 2.94Å; C190-Q194 PolarHBondContact O-N 2.86Å; C190-C198 VanDerWaalsContact SG-SG 3.65Å; C190-F207 HydrophobicContact CB-CB 3.72Å; C190-A208 PolarHBondContact N-O 3.09Å; C190-H209 VanDerWaalsContact CB-CD2 3.4Å; C190-H209 WeakPolarHBondContact CB-CD2 3.38Å; C190-H209 WeakPolarHBondContact CB-NE2 3.43Å
191R89.6Confident83.5Confident163 Ų16389.2 Ų89.262%0.61543%0.433SS*.Hα-helixtrans-66.3-34.2178.1-76.5-174.8169.6163.3-0.6111.9V189 Y193 Q194 R195V189-R191 PolarHBondContact O-N 3.46Å; R191-Y193 VanDerWaalsContact C-N 3.35Å; R191-Q194 PolarHBondContact O-N 3.49Å; R191-R195 VanDerWaalsContact O-CG 3.25Å; R191-R195 WeakPolarHBondContact O-CG 3.46Å; R191-R195 PolarHBondContact O-N 3.04Å; R191-R195 VanDerWaalsContact O-N 3.09Å
192E90.9Very high84.7Confident87 Ų8788.8 Ų88.841%0.40743%0.429SS..Hα-helixtrans-66.5-38.2175.9-57.471.4-160.200110.8C190 R195 G196 N197 C198C190-E192 VanDerWaalsContact C-N 3.29Å; C190-E192 PolarHBondContact O-N 3.31Å; C190-E192 PolarHBondContact SG-OE2 3.34Å; E192-R195 CarbonylContact O-C 3.56Å; E192-R195 PolarHBondContact O-N 2.96Å; E192-G196 PolarHBondContact O-N 3.47Å; E192-G196 VanDerWaalsContact O-N 3.1Å; E192-N197 PolarHBondContact O-N 3.3Å; E192-C198 HydrophobicContact CB-CB 3.83Å; E192-C198 PolarHBondContact O-N 3.46Å
193Y89.8Confident85.7Confident90 Ų9086.9 Ų86.935%0.35342%0.422SS..Hα-helixtrans-69.4-43176.6-179-102.8000110.9C190 R191 R195 G196 H209C190-Y193 PolarHBondContact O-N 3.1Å; C190-Y193 PolarHBondContact SG-N 2.94Å; R191-Y193 VanDerWaalsContact C-N 3.35Å; Y193-R195 PolarHBondContact O-N 3.2Å; Y193-R195 VanDerWaalsContact O-N 3.13Å; Y193-G196 PolarHBondContact O-N 3.22Å; Y193-H209 HydrophobicContact CD1-CB 3.92Å; Y193-H209 AromaticContact CD1-CG 3.98Å; Y193-H209 HydrophobicContact CD2-CB 4.17Å; Y193-H209 AromaticContact CD2-CE1 3.66Å; Y193-H209 AromaticContact CD2-CG 3.66Å; Y193-H209 AromaticContact CD2-ND1 3.33Å; Y193-H209 VanDerWaalsContact CD2-ND1 3.33Å; Y193-H209 WeakPolarHBondContact CD2-ND1 3.49Å; Y193-H209 HydrophobicContact CE1-CB 3.88Å; Y193-H209 HydrophobicContact CE2-CB 4.13Å; Y193-H209 AromaticContact CE2-ND1 3.73Å; Y193-H209 HydrophobicContact CG-CB 4.06Å; Y193-H209 AromaticContact CG-CD2 3.79Å; Y193-H209 AromaticContact CG-CE1 3.99Å; Y193-H209 AromaticContact CG-CG 3.62Å; Y193-H209 AromaticContact CG-ND1 3.76Å
194Q88.5Confident86.5Confident80 Ų8083.5 Ų83.537%0.37442%0.419SS..Hα-helixtrans-62.3-17.2172.7-168.2176.165.400113.2C190 R191 N221C190-Q194 PolarHBondContact O-N 2.86Å; R191-Q194 PolarHBondContact O-N 3.49Å; Q194-N221 PolarHBondContact OE1-ND2 3.38Å
195R88.6Confident87Confident180 Ų18082.8 Ų82.868%0.67942%0.415SS*.THydrogen-bonded Turntrans-95.7-9.4171.5-68.1-74.9-174.2-82.20.7113.8R191 E192 Y193 N197R191-R195 VanDerWaalsContact O-CG 3.25Å; R191-R195 WeakPolarHBondContact O-CG 3.46Å; R191-R195 PolarHBondContact O-N 3.04Å; R191-R195 VanDerWaalsContact O-N 3.09Å; E192-R195 CarbonylContact O-C 3.56Å; E192-R195 PolarHBondContact O-N 2.96Å; Y193-R195 PolarHBondContact O-N 3.2Å; Y193-R195 VanDerWaalsContact O-N 3.13Å; R195-N197 VanDerWaalsContact C-N 3.34Å; R195-N197 PolarHBondContact O-OD1 3.45Å
196G87.2Confident87.1Confident69 Ų6989.2 Ų89.271%0.71144%0.436SS*.THydrogen-bonded Turntrans79.210.7-172.600000114.9E192 Y193E192-G196 PolarHBondContact O-N 3.47Å; E192-G196 VanDerWaalsContact O-N 3.1Å; Y193-G196 PolarHBondContact O-N 3.22Å
197N90.6Very high87.2Confident120 Ų12087.5 Ų87.564%0.64243%0.432SS*.  trans-106.11.9-175.7-64.8106000114.5E192 R195 T199E192-N197 PolarHBondContact O-N 3.3Å; R195-N197 VanDerWaalsContact C-N 3.34Å; R195-N197 PolarHBondContact O-OD1 3.45Å; N197-T199 PolarHBondContact O-N 2.95Å
198C88.8Confident87.2Confident28 Ų2887 Ų8719%0.18943%0.429CS..  trans-77.9107.7177.5-164.30000111.3C190 E192 R200 H209C190-C198 VanDerWaalsContact SG-SG 3.65Å; E192-C198 HydrophobicContact CB-CB 3.83Å; E192-C198 PolarHBondContact O-N 3.46Å; C198-R200 VanDerWaalsContact C-N 3.34Å; C198-H209 VanDerWaalsContact SG-CE1 3.58Å
199T87.3Confident87.2Confident142 Ų14281.8 Ų81.887%0.87141%0.405SS*.  trans-86-4173.553.80000113.6N197N197-T199 PolarHBondContact O-N 2.95Å
200R85.8Confident87Confident150 Ų15081.8 Ų81.857%0.56641%0.405SS*.SBendtrans-85124.2174.1-55.6177.5-153.2159.212.8107.9C198 C205 H209C198-R200 VanDerWaalsContact C-N 3.34Å; R200-C205 HydrophobicContact CB-CB 4.37Å; R200-H209 PolarHBondContact O-CE1 3.45Å; R200-H209 VanDerWaalsContact O-CE1 3.31Å
201G76.8Confident86.4Confident44 Ų4486.2 Ų86.245%0.45444%0.436SS..  trans-58.7156.9177.100000112N203 D204 C205G201-N203 PolarHBondContact O-N 2.93Å; G201-D204 PolarHBondContact O-N 2.88Å; G201-C205 PolarHBondContact O-N 3.36Å
202E78.8Confident85.8Confident75 Ų7582.8 Ų82.835%0.3543%0.43SS..THydrogen-bonded Turntrans-52.7-31.5-178.9174.9175.4-176.800113.3H209 P245E202-H209 HydrophobicContact CB-CB 4.36Å; E202-H209 HydrophobicContact CG-CB 4.19Å; E202-P245 HydrophobicContact CG-CG 4Å
203N77.7Confident84.9Confident106 Ų10683 Ų8357%0.56744%0.441SS*.THydrogen-bonded Turntrans-73.4-28.7179.1-64.3-64.1000114.1G201 H247G201-N203 PolarHBondContact O-N 2.93Å; N203-H247 WeakPolarHBondContact O-CB 3.36Å
204D83.7Confident84.1Confident132 Ų13285 Ų8571%0.70646%0.462SS*.THydrogen-bonded Turntrans-105.7-13.2-175.9-74.7-76.8000113.3G201G201-D204 PolarHBondContact O-N 2.88Å
205C88.9Confident83.5Confident1 Ų184 Ų841%0.00746%0.459CS..  trans-68.6142174.8-161.10000111.4R200 G201 F207 H209R200-C205 HydrophobicContact CB-CB 4.37Å; G201-C205 PolarHBondContact O-N 3.36Å; C205-F207 VanDerWaalsContact C-N 3.26Å; C205-F207 PolarHBondContact O-N 2.91Å; C205-H209 WeakPolarHBondContact CB-NE2 3.33Å; C205-H209 PolarHBondContact SG-NE2 3.3Å
206R86.9Confident83.3Confident172 Ų17276.7 Ų76.765%0.64943%0.432SS*.SBendtrans-79.3-11.9-179.9-178165.2170.5166.9-2.4113.4K251R206-K251 PolarHBondContact O-NZ 3.08Å
207F89.1Confident83.2Confident64 Ų6475.5 Ų75.528%0.28141%0.41SS..SBendtrans-122.5157.9-176.1-56-71.5000109.6E188 C190 C205E188-F207 HydrophobicContact CB-CD1 3.95Å; E188-F207 HydrophobicContact CB-CE1 4.44Å; E188-F207 WeakPolarHBondContact OE2-CE1 3.35Å; C190-F207 HydrophobicContact CB-CB 3.72Å; C205-F207 VanDerWaalsContact C-N 3.26Å; C205-F207 PolarHBondContact O-N 2.91Å
208A89.8Confident82.9Confident0 Ų075.8 Ų75.80%042%0.416CS..BIsolated β-bridgetrans-71.5142.4-178.800000112L187 E188 V189 C190 P210 V223 F242 L248L187-A208 HydrophobicContact CB-CB 4.04Å; L187-A208 HydrophobicContact CD1-CB 4.22Å; E188-A208 PolarHBondContact O-N 3.13Å; V189-A208 WeakPolarHBondContact CA-O 3.39Å; C190-A208 PolarHBondContact N-O 3.09Å; A208-P210 VanDerWaalsContact O-CD 3.3Å; A208-P210 WeakPolarHBondContact O-CD 3.5Å; A208-V223 HydrophobicContact CB-CG2 3.77Å; A208-F242 HydrophobicContact CB-CD1 4.42Å; A208-F242 HydrophobicContact CB-CE1 3.82Å; A208-F242 HydrophobicContact CB-CZ 4.25Å; A208-L248 HydrophobicContact CB-CD1 4.44Å
209H89.6Confident82.6Confident8 Ų881.2 Ų81.24%0.03744%0.443CS..  trans-110.984170.9-71.6-164.9000108.8C190 Y193 C198 R200 E202 C205 S211C190-H209 VanDerWaalsContact CB-CD2 3.4Å; C190-H209 WeakPolarHBondContact CB-CD2 3.38Å; C190-H209 WeakPolarHBondContact CB-NE2 3.43Å; Y193-H209 HydrophobicContact CD1-CB 3.92Å; Y193-H209 AromaticContact CD1-CG 3.98Å; Y193-H209 HydrophobicContact CD2-CB 4.17Å; Y193-H209 AromaticContact CD2-CE1 3.66Å; Y193-H209 AromaticContact CD2-CG 3.66Å; Y193-H209 AromaticContact CD2-ND1 3.33Å; Y193-H209 VanDerWaalsContact CD2-ND1 3.33Å; Y193-H209 WeakPolarHBondContact CD2-ND1 3.49Å; Y193-H209 HydrophobicContact CE1-CB 3.88Å; Y193-H209 HydrophobicContact CE2-CB 4.13Å; Y193-H209 AromaticContact CE2-ND1 3.73Å; Y193-H209 HydrophobicContact CG-CB 4.06Å; Y193-H209 AromaticContact CG-CD2 3.79Å; Y193-H209 AromaticContact CG-CE1 3.99Å; Y193-H209 AromaticContact CG-CG 3.62Å; Y193-H209 AromaticContact CG-ND1 3.76Å; C198-H209 VanDerWaalsContact SG-CE1 3.58Å; R200-H209 PolarHBondContact O-CE1 3.45Å; R200-H209 VanDerWaalsContact O-CE1 3.31Å; E202-H209 HydrophobicContact CB-CB 4.36Å; E202-H209 HydrophobicContact CG-CB 4.19Å; C205-H209 WeakPolarHBondContact CB-NE2 3.33Å; C205-H209 PolarHBondContact SG-NE2 3.3Å; H209-S211 PolarHBondContact O-N 3Å
210P86.8Confident82.3Confident6 Ų679.6 Ų79.64%0.03943%0.429CS..  trans-73.6121.5175.630.3-33.2000110.4V189 A208 D212 I216 V223 F242V189-P210 HydrophobicContact CG1-CG 3.92Å; V189-P210 HydrophobicContact CG2-CG 3.91Å; A208-P210 VanDerWaalsContact O-CD 3.3Å; A208-P210 WeakPolarHBondContact O-CD 3.5Å; P210-D212 PolarHBondContact O-N 2.93Å; P210-I216 HydrophobicContact CG-CD1 3.79Å; P210-I216 HydrophobicContact CG-CG1 3.83Å; P210-V223 HydrophobicContact CB-CG1 3.98Å; P210-V223 HydrophobicContact CG-CG1 3.94Å; P210-F242 HydrophobicContact CB-CD2 4.49Å
211S79.8Confident82.3Confident94 Ų9474.3 Ų74.366%0.65741%0.412SS*.SBendtrans-62.6-33.5172.1-44.90000112.2H209H209-S211 PolarHBondContact O-N 3Å
212D76.9Confident82.9Confident91 Ų9173 Ų7349%0.48740%0.395SS..  trans-100.8102.4179.1-70.2-47.7000111.1P210 T214 M215P210-D212 PolarHBondContact O-N 2.93Å; D212-T214 PolarHBondContact O-N 3.04Å; D212-M215 HydrophobicContact CB-CE 4.17Å; D212-M215 HydrophobicContact CB-CG 4.15Å; D212-M215 PolarHBondContact O-N 2.84Å; D212-M215 VanDerWaalsContact O-N 3.07Å
213S71.1Confident83.5Confident92 Ų9269.4 Ų69.464%0.64338%0.379SS*.G310 helixtrans-58-18.1175.4-620000114M215 I216S213-M215 PolarHBondContact O-N 3.43Å; S213-I216 PolarHBondContact O-N 3.34Å
214T74.1Confident84.1Confident130 Ų13065.9 Ų65.980%0.79836%0.361SS*.G310 helixtrans-70.8-14.4176.654.10000113.9D212D212-T214 PolarHBondContact O-N 3.04Å
215M75.6Confident84.5Confident61 Ų6159.7 Ų59.730%0.333%0.328SS..G310 helixtrans-91-0.1176.8-57.9-166.2-170.900113.7D212 S213D212-M215 HydrophobicContact CB-CE 4.17Å; D212-M215 HydrophobicContact CB-CG 4.15Å; D212-M215 PolarHBondContact O-N 2.84Å; D212-M215 VanDerWaalsContact O-N 3.07Å; S213-M215 PolarHBondContact O-N 3.43Å
216I84.7Confident84.6Confident25 Ų2560 Ų6013%0.12833%0.33CS..EExtended strand (participates in β ladder)trans-90.8129.7-177.1-50.9175.9000110.1V189 P210 S213 T218 V223V189-I216 HydrophobicContact CG1-CD1 4.29Å; V189-I216 HydrophobicContact CG2-CD1 4.39Å; V189-I216 HydrophobicContact CG2-CG1 4.21Å; V189-I216 HydrophobicContact CG2-CG2 4.15Å; P210-I216 HydrophobicContact CG-CD1 3.79Å; P210-I216 HydrophobicContact CG-CG1 3.83Å; S213-I216 PolarHBondContact O-N 3.34Å; I216-T218 PolarHBondContact O-N 3.19Å; I216-V223 HydrophobicContact CG1-CG1 3.98Å
217D85.1Confident84.8Confident45 Ų4553.7 Ų53.724%0.24131%0.308CS..EExtended strand (participates in β ladder)trans-80.2109.6169-160.9-31.7000109.7R186 N219 D220 N221 T222R186-D217 IonicContact CZ-OD2 3.9Å; R186-D217 IonicContact NH1-OD2 3.95Å; R186-D217 PolarHBondContact NH1-OD2 2.92Å; R186-D217 IonicContact NH2-OD2 3.88Å; D217-N219 PolarHBondContact O-N 3.28Å; D217-N219 PolarHBondContact OD1-N 3.49Å; D217-N219 PolarHBondContact OD1-ND2 2.92Å; D217-D220 PolarHBondContact O-N 3.44Å; D217-N221 WeakPolarHBondContact O-CA 3.4Å; D217-N221 PolarHBondContact O-N 3.18Å; D217-T222 PolarHBondContact N-O 2.85Å
218T83Confident84.9Confident125 Ų12553.6 Ų53.677%0.76731%0.311SS*.THydrogen-bonded Turntrans-61.5-24.6-175.4-51.40000113.2I216I216-T218 PolarHBondContact O-N 3.19Å
219N83.1Confident85.1Confident142 Ų14257.1 Ų57.176%0.75933%0.325SS*.THydrogen-bonded Turntrans-72.3-37.2-177.2-56.2-80.5000112.4D217D217-N219 PolarHBondContact O-N 3.28Å; D217-N219 PolarHBondContact OD1-N 3.49Å; D217-N219 PolarHBondContact OD1-ND2 2.92Å
220D81.3Confident85.1Confident109 Ų10957 Ų5758%0.58332%0.324SS*.THydrogen-bonded Turntrans-118.3-3.2-172.8-69.2-64.9000113.6D217 T222D217-D220 PolarHBondContact O-N 3.44Å; D220-T222 HydrophobicContact CB-CG2 4.15Å; D220-T222 PolarHBondContact O-N 3.45Å
221N86.4Confident85.2Confident38 Ų3861.6 Ų61.620%0.20334%0.344CS..THydrogen-bonded Turntrans53.133.9-169.5-81.9109.2000113V189 Q194 D217V189-N221 WeakPolarHBondContact CB-O 3.4Å; V189-N221 WeakPolarHBondContact CG2-O 3.49Å; V189-N221 PolarHBondContact N-O 3.36Å; Q194-N221 PolarHBondContact OE1-ND2 3.38Å; D217-N221 WeakPolarHBondContact O-CA 3.4Å; D217-N221 PolarHBondContact O-N 3.18Å
222T89.3Confident85.7Confident16 Ų1660.4 Ų60.410%0.09835%0.347CS..EExtended strand (participates in β ladder)trans-111151.4-179.455.20000112.9R186 L187 E188 D217 D220R186-T222 HydrophobicContact CB-CG2 4.42Å; L187-T222 CarbonylContact O-C 3.57Å; L187-T222 VanDerWaalsContact O-CA 3.23Å; L187-T222 WeakPolarHBondContact O-CA 3.44Å; L187-T222 WeakPolarHBondContact O-CB 3.3Å; E188-T222 HydrophobicContact CG-CG2 4.22Å; D217-T222 PolarHBondContact N-O 2.85Å; D220-T222 HydrophobicContact CB-CG2 4.15Å; D220-T222 PolarHBondContact O-N 3.45Å
223V90.3Very high86.3Confident0 Ų064.5 Ų64.50%036%0.355CS..EExtended strand (participates in β ladder)trans-109.3145.4168.4-70.10000110.3R186 L187 V189 A208 P210 I216 F242R186-V223 WeakPolarHBondContact CA-O 3.11Å; L187-V223 HydrophobicContact CB-CG2 4Å; L187-V223 PolarHBondContact N-O 3.17Å; L187-V223 PolarHBondContact O-N 3.38Å; V189-V223 HydrophobicContact CG2-CB 4.44Å; V189-V223 HydrophobicContact CG2-CG1 3.57Å; V189-V223 HydrophobicContact CG2-CG2 4.3Å; A208-V223 HydrophobicContact CB-CG2 3.77Å; P210-V223 HydrophobicContact CB-CG1 3.98Å; P210-V223 HydrophobicContact CG-CG1 3.94Å; I216-V223 HydrophobicContact CG1-CG1 3.98Å; V223-F242 HydrophobicContact CB-CB 4.43Å; V223-F242 HydrophobicContact CG2-CB 4.37Å; V223-F242 HydrophobicContact CG2-CD1 4.09Å; V223-F242 HydrophobicContact CG2-CG 4.27Å
224T90.8Very high87.3Confident32 Ų3261.2 Ų61.220%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-90127.3176.3-52.70000109.7D185 R186 Y241 F242D185-T224 WeakPolarHBondContact OD2-CG2 3.41Å; R186-T224 PolarHBondContact NE-OG1 3.5Å; R186-T224 PolarHBondContact NH2-OG1 2.88Å; T224-Y241 HydrophobicContact CG2-CD1 3.82Å; T224-Y241 HydrophobicContact CG2-CE1 4.1Å; T224-F242 PolarHBondContact O-N 3.04Å
225V91.6Very high88.1Confident2 Ų260.2 Ų60.21%0.01233%0.33CS..BIsolated β-bridgetrans-84.3151.5-174.6174.90000111.1D185 L187 M227 I230 P244 I252D185-V225 PolarHBondContact O-N 2.88Å; D185-V225 WeakPolarHBondContact OD1-CB 3.47Å; L187-V225 HydrophobicContact CB-CG2 4.39Å; L187-V225 HydrophobicContact CD1-CG2 3.73Å; L187-V225 HydrophobicContact CG-CG2 3.78Å; V225-M227 HydrophobicContact CB-CE 4.19Å; V225-M227 HydrophobicContact CG1-CE 3.98Å; V225-M227 PolarHBondContact O-N 3.19Å; V225-M227 VanDerWaalsContact O-N 3.12Å; V225-I230 HydrophobicContact CG1-CD1 3.96Å; V225-I230 HydrophobicContact CG1-CG1 3.68Å; V225-P244 HydrophobicContact CG1-CG 3.79Å; V225-P244 HydrophobicContact CG2-CG 4.47Å; V225-I252 HydrophobicContact CB-CD1 4.5Å; V225-I252 HydrophobicContact CG1-CD1 4.07Å; V225-I252 HydrophobicContact CG2-CD1 3.95Å
226C92.1Very high88.9Confident7 Ų766.1 Ų66.15%0.04735%0.349CS..  trans-76.397.7167.6-171.30000110D228 Y229 I230 F242 H243C226-D228 PolarHBondContact O-N 3.24Å; C226-Y229 WeakPolarHBondContact O-CB 3.44Å; C226-Y229 PolarHBondContact O-N 2.91Å; C226-Y229 PolarHBondContact SG-N 3.35Å; C226-Y229 VanDerWaalsContact SG-N 3.43Å; C226-I230 PolarHBondContact O-N 3.33Å; C226-I230 VanDerWaalsContact O-N 3.14Å; C226-F242 PolarHBondContact N-O 2.89Å; C226-H243 WeakPolarHBondContact CB-CD2 3.39Å
227M90.2Very high88.8Confident40 Ų4073.6 Ų73.620%0.19738%0.383CS..Hα-helixtrans-54-37.1173.9-82.1-61.3103.400113.5D185 V225 Y229 I230 K231 I252 Q256D185-M227 HydrophobicContact CB-CE 4.15Å; D185-M227 HydrophobicContact CB-CG 4.4Å; D185-M227 WeakPolarHBondContact OD1-CE 3.48Å; D185-M227 VanDerWaalsContact OD1-CG 3.31Å; D185-M227 WeakPolarHBondContact OD1-CG 3.43Å; V225-M227 HydrophobicContact CB-CE 4.19Å; V225-M227 HydrophobicContact CG1-CE 3.98Å; V225-M227 PolarHBondContact O-N 3.19Å; V225-M227 VanDerWaalsContact O-N 3.12Å; M227-Y229 VanDerWaalsContact C-N 3.33Å; M227-Y229 PolarHBondContact O-N 3.38Å; M227-I230 HydrophobicContact CE-CB 4.4Å; M227-I230 HydrophobicContact CE-CG1 3.87Å; M227-I230 PolarHBondContact O-N 3.42Å; M227-K231 WeakPolarHBondContact O-CE 3.46Å; M227-K231 WeakPolarHBondContact O-CG 3.38Å; M227-K231 PolarHBondContact O-N 2.94Å; M227-K231 VanDerWaalsContact O-N 3.07Å; M227-I252 HydrophobicContact CE-CG2 4.03Å; M227-Q256 PolarHBondContact SD-NE2 3.41Å
228D91.4Very high88.8Confident63 Ų6381.2 Ų81.234%0.33741%0.414SS..Hα-helixtrans-69.5-28.1177.3-70.7-49.6000113.2C226 K231 G232 R233 C234C226-D228 PolarHBondContact O-N 3.24Å; D228-K231 CarbonylContact O-C 3.51Å; D228-K231 PolarHBondContact O-N 3.39Å; D228-K231 WeakPolarHBondContact OD1-CE 3.23Å; D228-K231 IonicContact OD1-NZ 3.29Å; D228-K231 PolarHBondContact OD1-NZ 2.77Å; D228-G232 PolarHBondContact O-N 2.91Å; D228-R233 HydrophobicContact CB-CB 4.26Å; D228-R233 WeakPolarHBondContact O-CA 3.41Å; D228-R233 PolarHBondContact O-N 3.24Å; D228-R233 IonicContact OD1-CZ 3.54Å; D228-R233 IonicContact OD1-NE 3.85Å; D228-R233 IonicContact OD1-NH1 2.77Å; D228-R233 PolarHBondContact OD1-NH1 2.87Å; D228-R233 IonicContact OD1-NH2 3.61Å; D228-C234 HydrophobicContact CB-CB 4.04Å; D228-C234 PolarHBondContact O-N 3.27Å; D228-C234 VanDerWaalsContact O-N 3.09Å
229Y93.1Very high89.1Confident74 Ų7476.3 Ų76.329%0.2939%0.385SS..Hα-helixtrans-67.7-46.1169.9-176.8-108.6000111.6C226 M227 K231 G232 C234 H243 Q249C226-Y229 WeakPolarHBondContact O-CB 3.44Å; C226-Y229 PolarHBondContact O-N 2.91Å; C226-Y229 PolarHBondContact SG-N 3.35Å; C226-Y229 VanDerWaalsContact SG-N 3.43Å; M227-Y229 VanDerWaalsContact C-N 3.33Å; M227-Y229 PolarHBondContact O-N 3.38Å; Y229-K231 PolarHBondContact O-N 3.18Å; Y229-G232 PolarHBondContact O-N 2.94Å; Y229-C234 WeakPolarHBondContact CD2-O 3.26Å; Y229-H243 HydrophobicContact CD1-CB 3.88Å; Y229-H243 AromaticContact CD1-CG 3.87Å; Y229-H243 HydrophobicContact CD2-CB 4.44Å; Y229-H243 AromaticContact CD2-CE1 3.56Å; Y229-H243 AromaticContact CD2-CG 3.78Å; Y229-H243 AromaticContact CD2-ND1 3.49Å; Y229-H243 WeakPolarHBondContact CD2-ND1 3.46Å; Y229-H243 AromaticContact CD2-NE2 3.89Å; Y229-H243 HydrophobicContact CE1-CB 3.79Å; Y229-H243 HydrophobicContact CE2-CB 4.38Å; Y229-H243 AromaticContact CE2-ND1 3.69Å; Y229-H243 HydrophobicContact CG-CB 4.21Å; Y229-H243 AromaticContact CG-CD2 3.65Å; Y229-H243 AromaticContact CG-CE1 3.95Å; Y229-H243 AromaticContact CG-CG 3.68Å; Y229-H243 AromaticContact CG-ND1 3.88Å; Y229-H243 AromaticContact CG-NE2 3.82Å; Y229-Q249 VanDerWaalsContact CE1-NE2 3.33Å
230I90.5Very high89.3Confident5 Ų577.4 Ų77.43%0.02638%0.383CS..Hα-helixtrans-55.4-36.9174.1-61.2-56.2000111.7V225 C226 M227 G232 P244 Q249 I252 K253V225-I230 HydrophobicContact CG1-CD1 3.96Å; V225-I230 HydrophobicContact CG1-CG1 3.68Å; C226-I230 PolarHBondContact O-N 3.33Å; C226-I230 VanDerWaalsContact O-N 3.14Å; M227-I230 HydrophobicContact CE-CB 4.4Å; M227-I230 HydrophobicContact CE-CG1 3.87Å; M227-I230 PolarHBondContact O-N 3.42Å; I230-G232 VanDerWaalsContact C-N 3.34Å; I230-P244 HydrophobicContact CD1-CG 3.68Å; I230-Q249 HydrophobicContact CD1-CB 4.14Å; I230-Q249 HydrophobicContact CD1-CG 3.82Å; I230-I252 HydrophobicContact CD1-CD1 4.06Å; I230-I252 HydrophobicContact CG1-CG2 4.43Å; I230-I252 HydrophobicContact CG2-CG2 4.3Å; I230-K253 HydrophobicContact CG2-CD 4.43Å; I230-K253 HydrophobicContact CG2-CG 3.83Å; I230-K253 WeakPolarHBondContact O-CE 3.39Å; I230-K253 PolarHBondContact O-NZ 3.31Å
231K88.8Confident89.7Confident102 Ų10277.3 Ų77.344%0.44338%0.375SS..THydrogen-bonded Turntrans-82.21.3176.6-71.3172-78.1165.90114.7M227 D228 Y229 R233M227-K231 WeakPolarHBondContact O-CE 3.46Å; M227-K231 WeakPolarHBondContact O-CG 3.38Å; M227-K231 PolarHBondContact O-N 2.94Å; M227-K231 VanDerWaalsContact O-N 3.07Å; D228-K231 CarbonylContact O-C 3.51Å; D228-K231 PolarHBondContact O-N 3.39Å; D228-K231 WeakPolarHBondContact OD1-CE 3.23Å; D228-K231 IonicContact OD1-NZ 3.29Å; D228-K231 PolarHBondContact OD1-NZ 2.77Å; Y229-K231 PolarHBondContact O-N 3.18Å; K231-R233 VanDerWaalsContact C-N 3.3Å; K231-R233 PolarHBondContact O-N 3.23Å
232G89.9Confident89.9Confident70 Ų7076.5 Ų76.572%0.72237%0.37SS*.THydrogen-bonded Turntrans6922-178.400000114.9D228 Y229 I230D228-G232 PolarHBondContact O-N 2.91Å; Y229-G232 PolarHBondContact O-N 2.94Å; I230-G232 VanDerWaalsContact C-N 3.34Å
233R90.3Very high90Very high176 Ų17677.7 Ų77.766%0.66437%0.374SS*.  trans-108-12.6-179.1-68.7-162.8-81.6135.8-16.6114.4D228 K231D228-R233 HydrophobicContact CB-CB 4.26Å; D228-R233 WeakPolarHBondContact O-CA 3.41Å; D228-R233 PolarHBondContact O-N 3.24Å; D228-R233 IonicContact OD1-CZ 3.54Å; D228-R233 IonicContact OD1-NE 3.85Å; D228-R233 IonicContact OD1-NH1 2.77Å; D228-R233 PolarHBondContact OD1-NH1 2.87Å; D228-R233 IonicContact OD1-NH2 3.61Å; K231-R233 VanDerWaalsContact C-N 3.3Å; K231-R233 PolarHBondContact O-N 3.23Å
234C92Very high90Very high23 Ų2377.7 Ų77.716%0.15537%0.374CS..  trans-104129172.4-1720000110.2D228 Y229 H243D228-C234 HydrophobicContact CB-CB 4.04Å; D228-C234 PolarHBondContact O-N 3.27Å; D228-C234 VanDerWaalsContact O-N 3.09Å; Y229-C234 WeakPolarHBondContact CD2-O 3.26Å; C234-H243 PolarHBondContact SG-NE2 3.35Å
235S91.1Very high89.9Confident109 Ų10976.9 Ų76.976%0.76237%0.37SS*.  trans-126.725.4173.954.90000111.8
236R91.7Very high89.8Confident185 Ų18580.2 Ų80.270%0.69840%0.398SS*.  trans-88.8112.6179.8-76.2179.7153.8-171.8-8.6110.8K238 C239 H243R236-K238 VanDerWaalsContact C-N 3.26Å; R236-K238 PolarHBondContact O-N 3.03Å; R236-C239 HydrophobicContact CB-CB 4.39Å; R236-C239 PolarHBondContact O-N 2.98Å; R236-H243 PolarHBondContact O-CE1 2.93Å
237E82.6Confident89.6Confident182 Ų18284.5 Ų84.585%0.8542%0.417SS*.THydrogen-bonded Turntrans-54.1-42172.4-57.9-53.1118.100112.5
238K85.2Confident89.6Confident205 Ų20582.7 Ų82.789%0.89141%0.408SS*.THydrogen-bonded Turntrans-101.767.5174.2-62.5-173.3-178.9-1760110.9R236R236-K238 VanDerWaalsContact C-N 3.26Å; R236-K238 PolarHBondContact O-N 3.03Å
239C88.6Confident89.5Confident22 Ų2281.3 Ų81.315%0.14940%0.399CS..  trans-77.7149.6173-166.50000111.2R236 Y241 H243R236-C239 HydrophobicContact CB-CB 4.39Å; R236-C239 PolarHBondContact O-N 2.98Å; C239-Y241 PolarHBondContact O-N 3.26Å; C239-H243 WeakPolarHBondContact CB-NE2 3.43Å; C239-H243 PolarHBondContact SG-NE2 3.38Å; C239-H243 VanDerWaalsContact SG-NE2 3.42Å
240K88.2Confident89.3Confident165 Ų16580.6 Ų80.672%0.71741%0.409SS*.SBendtrans-66.3-20.9172.7179.6177.6176.6-175.60112.7
241Y89.6Confident89.1Confident108 Ų10884.8 Ų84.842%0.42443%0.426SS..SBendtrans-120.8148.4-172.9-56.8-78.7000110.1T224 C239 H243T224-Y241 HydrophobicContact CG2-CD1 3.82Å; T224-Y241 HydrophobicContact CG2-CE1 4.1Å; C239-Y241 PolarHBondContact O-N 3.26Å; Y241-H243 PolarHBondContact O-CD2 3.39Å
242F91.2Very high89.1Confident21 Ų2180.2 Ų80.29%0.09241%0.407CS..BIsolated β-bridgetrans-63138-172.7-177.2-112.3000112.4L187 A208 P210 V223 T224 C226 P244L187-F242 HydrophobicContact CD1-CD1 4.35Å; L187-F242 HydrophobicContact CD1-CE1 4.32Å; A208-F242 HydrophobicContact CB-CD1 4.42Å; A208-F242 HydrophobicContact CB-CE1 3.82Å; A208-F242 HydrophobicContact CB-CZ 4.25Å; P210-F242 HydrophobicContact CB-CD2 4.49Å; V223-F242 HydrophobicContact CB-CB 4.43Å; V223-F242 HydrophobicContact CG2-CB 4.37Å; V223-F242 HydrophobicContact CG2-CD1 4.09Å; V223-F242 HydrophobicContact CG2-CG 4.27Å; T224-F242 PolarHBondContact O-N 3.04Å; C226-F242 PolarHBondContact N-O 2.89Å; F242-P244 HydrophobicContact CD1-CB 4.14Å; F242-P244 HydrophobicContact CE1-CB 3.81Å; F242-P244 WeakPolarHBondContact O-CD 3.3Å
243H91.2Very high89.1Confident41 Ų4181.3 Ų81.319%0.1939%0.392CS..  trans-104.890.4177.7-79.1-167.7000109.8C226 Y229 C234 R236 C239 Y241C226-H243 WeakPolarHBondContact CB-CD2 3.39Å; Y229-H243 HydrophobicContact CD1-CB 3.88Å; Y229-H243 AromaticContact CD1-CG 3.87Å; Y229-H243 HydrophobicContact CD2-CB 4.44Å; Y229-H243 AromaticContact CD2-CE1 3.56Å; Y229-H243 AromaticContact CD2-CG 3.78Å; Y229-H243 AromaticContact CD2-ND1 3.49Å; Y229-H243 WeakPolarHBondContact CD2-ND1 3.46Å; Y229-H243 AromaticContact CD2-NE2 3.89Å; Y229-H243 HydrophobicContact CE1-CB 3.79Å; Y229-H243 HydrophobicContact CE2-CB 4.38Å; Y229-H243 AromaticContact CE2-ND1 3.69Å; Y229-H243 HydrophobicContact CG-CB 4.21Å; Y229-H243 AromaticContact CG-CD2 3.65Å; Y229-H243 AromaticContact CG-CE1 3.95Å; Y229-H243 AromaticContact CG-CG 3.68Å; Y229-H243 AromaticContact CG-ND1 3.88Å; Y229-H243 AromaticContact CG-NE2 3.82Å; C234-H243 PolarHBondContact SG-NE2 3.35Å; R236-H243 PolarHBondContact O-CE1 2.93Å; C239-H243 WeakPolarHBondContact CB-NE2 3.43Å; C239-H243 PolarHBondContact SG-NE2 3.38Å; C239-H243 VanDerWaalsContact SG-NE2 3.42Å; Y241-H243 PolarHBondContact O-CD2 3.39Å
244P89.2Confident88.9Confident0 Ų075.2 Ų75.20%038%0.379CS..  trans-68.7148.6-172.823.4-33.5000113.8L187 V225 I230 F242 L248 Q249 I252L187-P244 HydrophobicContact CD1-CB 3.93Å; L187-P244 HydrophobicContact CD1-CG 4.4Å; V225-P244 HydrophobicContact CG1-CG 3.79Å; V225-P244 HydrophobicContact CG2-CG 4.47Å; I230-P244 HydrophobicContact CD1-CG 3.68Å; F242-P244 HydrophobicContact CD1-CB 4.14Å; F242-P244 HydrophobicContact CE1-CB 3.81Å; F242-P244 WeakPolarHBondContact O-CD 3.3Å; P244-L248 HydrophobicContact CB-CB 3.86Å; P244-Q249 HydrophobicContact CB-CG 4.5Å; P244-Q249 HydrophobicContact CG-CG 4.12Å; P244-Q249 VanDerWaalsContact O-CG 3.23Å; P244-Q249 WeakPolarHBondContact O-CG 3.47Å; P244-Q249 PolarHBondContact O-NE2 3.2Å; P244-I252 HydrophobicContact CG-CD1 3.99Å
245P89.6Confident88.5Confident15 Ų1575.7 Ų75.710%0.09739%0.385CS..  trans-64.2161.4172.229.5-39000112.3E202 H247 L248 Q249E202-P245 HydrophobicContact CG-CG 4Å; P245-H247 VanDerWaalsContact C-N 3.3Å; P245-H247 PolarHBondContact O-N 2.91Å; P245-H247 VanDerWaalsContact O-N 3.12Å; P245-L248 HydrophobicContact CG-CB 4.41Å; P245-L248 HydrophobicContact CG-CD1 4.07Å; P245-L248 HydrophobicContact CG-CG 4.23Å; P245-L248 PolarHBondContact O-N 2.94Å; P245-Q249 PolarHBondContact O-N 3.41Å
246A89.1Confident88.2Confident72 Ų7272.6 Ų72.660%0.59536%0.358SS*.Hα-helixtrans-52.4-40.3-168.800000114.7Q249 A250A246-Q249 WeakPolarHBondContact O-CB 3.45Å; A246-Q249 PolarHBondContact O-N 3.48Å; A246-A250 PolarHBondContact O-N 3.45Å
247H88.8Confident87.8Confident97 Ų9769.7 Ų69.745%0.44935%0.353SS..Hα-helixtrans-59.9-45.2176.2171.8-125.8000112.5N203 P245 A250 K251N203-H247 WeakPolarHBondContact O-CB 3.36Å; P245-H247 VanDerWaalsContact C-N 3.3Å; P245-H247 PolarHBondContact O-N 2.91Å; P245-H247 VanDerWaalsContact O-N 3.12Å; H247-A250 PolarHBondContact O-N 3.45Å; H247-K251 PolarHBondContact O-N 3.3Å
248L88.7Confident87.6Confident1 Ų167.3 Ų67.31%0.00534%0.341CS..Hα-helixtrans-74.1-31.2178-64-178.2000112L187 A208 P244 P245 A250 K251 I252L187-L248 HydrophobicContact CD1-CB 4.27Å; L187-L248 HydrophobicContact CD1-CD1 4.23Å; A208-L248 HydrophobicContact CB-CD1 4.44Å; P244-L248 HydrophobicContact CB-CB 3.86Å; P245-L248 HydrophobicContact CG-CB 4.41Å; P245-L248 HydrophobicContact CG-CD1 4.07Å; P245-L248 HydrophobicContact CG-CG 4.23Å; P245-L248 PolarHBondContact O-N 2.94Å; L248-A250 VanDerWaalsContact C-N 3.34Å; L248-A250 PolarHBondContact O-N 2.8Å; L248-K251 HydrophobicContact CD2-CD 4.31Å; L248-K251 WeakPolarHBondContact O-CB 3.44Å; L248-K251 PolarHBondContact O-N 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.35Å; L248-I252 PolarHBondContact O-N 3.45Å; L248-I252 VanDerWaalsContact O-N 3.1Å
249Q90.5Very high87Confident35 Ų3558.5 Ų58.516%0.16431%0.305CS..Hα-helixtrans-60.6-42.8170.3-61.8-179.43100112.1Y229 I230 P244 P245 A246 I252 K253Y229-Q249 VanDerWaalsContact CE1-NE2 3.33Å; I230-Q249 HydrophobicContact CD1-CB 4.14Å; I230-Q249 HydrophobicContact CD1-CG 3.82Å; P244-Q249 HydrophobicContact CB-CG 4.5Å; P244-Q249 HydrophobicContact CG-CG 4.12Å; P244-Q249 VanDerWaalsContact O-CG 3.23Å; P244-Q249 WeakPolarHBondContact O-CG 3.47Å; P244-Q249 PolarHBondContact O-NE2 3.2Å; P245-Q249 PolarHBondContact O-N 3.41Å; A246-Q249 WeakPolarHBondContact O-CB 3.45Å; A246-Q249 PolarHBondContact O-N 3.48Å; Q249-I252 PolarHBondContact O-N 2.88Å; Q249-K253 WeakPolarHBondContact O-CB 3.38Å; Q249-K253 WeakPolarHBondContact O-CG 3.41Å; Q249-K253 PolarHBondContact O-N 3.39Å
250A88.4Confident86.5Confident59 Ų5962.3 Ų62.349%0.48832%0.323SS..Hα-helixtrans-62.2-43.2178.400000111.5A246 H247 L248 I252 K253 A254A246-A250 PolarHBondContact O-N 3.45Å; H247-A250 PolarHBondContact O-N 3.45Å; L248-A250 VanDerWaalsContact C-N 3.34Å; L248-A250 PolarHBondContact O-N 2.8Å; A250-I252 PolarHBondContact O-N 3.1Å; A250-K253 PolarHBondContact O-N 3.21Å; A250-A254 WeakPolarHBondContact O-CB 3.35Å; A250-A254 PolarHBondContact O-N 3.28Å
251K86.7Confident85.7Confident92 Ų9260.5 Ų60.540%0.432%0.318SS..Hα-helixtrans-57.5-45.6174.8-173.1-174.2177.8-166.50112.2R206 H247 L248 A255R206-K251 PolarHBondContact O-NZ 3.08Å; H247-K251 PolarHBondContact O-N 3.3Å; L248-K251 HydrophobicContact CD2-CD 4.31Å; L248-K251 WeakPolarHBondContact O-CB 3.44Å; L248-K251 PolarHBondContact O-N 3.25Å; K251-A255 WeakPolarHBondContact O-CB 3.42Å; K251-A255 PolarHBondContact O-N 3.49Å
252I89.2Confident84.6Confident6 Ų657.8 Ų57.83%0.03132%0.318CS..Hα-helixtrans-66.6-46.7177.9-66.2161.3000111.4L187 V225 M227 I230 P244 L248 Q249 A250 A254 A255 Q256L187-I252 HydrophobicContact CD1-CD1 3.94Å; L187-I252 HydrophobicContact CD2-CD1 4.13Å; L187-I252 HydrophobicContact CD2-CG1 4.14Å; L187-I252 HydrophobicContact CG-CD1 4.05Å; V225-I252 HydrophobicContact CB-CD1 4.5Å; V225-I252 HydrophobicContact CG1-CD1 4.07Å; V225-I252 HydrophobicContact CG2-CD1 3.95Å; M227-I252 HydrophobicContact CE-CG2 4.03Å; I230-I252 HydrophobicContact CD1-CD1 4.06Å; I230-I252 HydrophobicContact CG1-CG2 4.43Å; I230-I252 HydrophobicContact CG2-CG2 4.3Å; P244-I252 HydrophobicContact CG-CD1 3.99Å; L248-I252 WeakPolarHBondContact O-CG1 3.35Å; L248-I252 PolarHBondContact O-N 3.45Å; L248-I252 VanDerWaalsContact O-N 3.1Å; Q249-I252 PolarHBondContact O-N 2.88Å; A250-I252 PolarHBondContact O-N 3.1Å; I252-A254 VanDerWaalsContact C-N 3.3Å; I252-A254 PolarHBondContact O-N 3.16Å; I252-A255 PolarHBondContact O-N 3.43Å; I252-Q256 HydrophobicContact CG2-CG 4.42Å; I252-Q256 WeakPolarHBondContact O-CB 3.45Å; I252-Q256 WeakPolarHBondContact O-CG 3.48Å; I252-Q256 PolarHBondContact O-N 3.18Å
253K89.2Confident83.5Confident93 Ų9358.9 Ų58.940%0.40433%0.331SS..Hα-helixtrans-61-39178.7-72.6170.4180172.80111.7I230 Q249 A250 H257I230-K253 HydrophobicContact CG2-CD 4.43Å; I230-K253 HydrophobicContact CG2-CG 3.83Å; I230-K253 WeakPolarHBondContact O-CE 3.39Å; I230-K253 PolarHBondContact O-NZ 3.31Å; Q249-K253 WeakPolarHBondContact O-CB 3.38Å; Q249-K253 WeakPolarHBondContact O-CG 3.41Å; Q249-K253 PolarHBondContact O-N 3.39Å; A250-K253 PolarHBondContact O-N 3.21Å; K253-H257 PolarHBondContact O-N 2.96Å
254A85.8Confident82.1Confident49 Ų4959.5 Ų59.541%0.40534%0.343SS..Hα-helixtrans-65.6-45.1173.900000112.3A250 I252 Q256 H257 Q258A250-A254 WeakPolarHBondContact O-CB 3.35Å; A250-A254 PolarHBondContact O-N 3.28Å; I252-A254 VanDerWaalsContact C-N 3.3Å; I252-A254 PolarHBondContact O-N 3.16Å; A254-Q256 PolarHBondContact O-N 2.93Å; A254-H257 PolarHBondContact O-N 3.4Å; A254-Q258 WeakPolarHBondContact O-CG 3.39Å; A254-Q258 PolarHBondContact O-N 3.43Å
255A84.7Confident80.6Confident33 Ų3361.4 Ų61.427%0.27336%0.358SS..Hα-helixtrans-61.9-42.5176.100000112.1T184 K251 I252 H257 Q258 V259T184-A255 WeakPolarHBondContact OG1-CB 3.37Å; K251-A255 WeakPolarHBondContact O-CB 3.42Å; K251-A255 PolarHBondContact O-N 3.49Å; I252-A255 PolarHBondContact O-N 3.43Å; A255-H257 VanDerWaalsContact C-N 3.35Å; A255-H257 PolarHBondContact O-N 3.21Å; A255-Q258 PolarHBondContact O-N 2.87Å; A255-V259 WeakPolarHBondContact O-CG2 3.25Å; A255-V259 PolarHBondContact O-N 3.44Å
256Q84.5Confident79.2Confident43 Ų4364 Ų6420%0.20138%0.381CS..Hα-helixtrans-57.2-44.9172-76.9174.9-17.300112.4T184 M227 I252 A254 Q258 V259 N260T184-Q256 HydrophobicContact CG2-CG 3.39Å; M227-Q256 PolarHBondContact SD-NE2 3.41Å; I252-Q256 HydrophobicContact CG2-CG 4.42Å; I252-Q256 WeakPolarHBondContact O-CB 3.45Å; I252-Q256 WeakPolarHBondContact O-CG 3.48Å; I252-Q256 PolarHBondContact O-N 3.18Å; A254-Q256 PolarHBondContact O-N 2.93Å; Q256-Q258 VanDerWaalsContact C-N 3.34Å; Q256-Q258 PolarHBondContact O-N 3.31Å; Q256-V259 PolarHBondContact O-N 3.35Å; Q256-N260 PolarHBondContact O-N 2.84Å; Q256-N260 PolarHBondContact O-OD1 2.93Å
257H82.5Confident77.6Confident125 Ų12564.8 Ų64.858%0.57939%0.388SS*.Hα-helixtrans-63.1-40.1178.1-166.973.4000112.1K253 A254 A255 N260 Q261K253-H257 PolarHBondContact O-N 2.96Å; A254-H257 PolarHBondContact O-N 3.4Å; A255-H257 VanDerWaalsContact C-N 3.35Å; A255-H257 PolarHBondContact O-N 3.21Å; H257-N260 PolarHBondContact O-N 2.82Å; H257-Q261 WeakPolarHBondContact O-CB 3.49Å; H257-Q261 PolarHBondContact O-N 2.95Å
258Q78.3Confident76.2Confident131 Ų13166.4 Ų66.461%0.61240%0.399SS*.Hα-helixtrans-64.6-41.1174.7-68.2174.814.300112.7A254 A255 Q256 Q261 A262A254-Q258 WeakPolarHBondContact O-CG 3.39Å; A254-Q258 PolarHBondContact O-N 3.43Å; A255-Q258 PolarHBondContact O-N 2.87Å; Q256-Q258 VanDerWaalsContact C-N 3.34Å; Q256-Q258 PolarHBondContact O-N 3.31Å; Q258-Q261 PolarHBondContact O-N 3Å; Q258-A262 WeakPolarHBondContact O-CB 3.44Å; Q258-A262 PolarHBondContact O-N 3.29Å
259V73.7Confident74.1Confident21 Ų2169.6 Ų69.613%0.12743%0.432CS..Hα-helixtrans-64.4-43.4175.2176.60000110.8K180 L181 A255 Q256 Q261 A262 A263K180-V259 HydrophobicContact CB-CG1 4.3Å; K180-V259 HydrophobicContact CB-CG2 4.25Å; L181-V259 HydrophobicContact CB-CG1 4.24Å; L181-V259 HydrophobicContact CD1-CG1 4.21Å; A255-V259 WeakPolarHBondContact O-CG2 3.25Å; A255-V259 PolarHBondContact O-N 3.44Å; Q256-V259 PolarHBondContact O-N 3.35Å; V259-Q261 PolarHBondContact O-N 3.34Å; V259-A262 PolarHBondContact O-N 2.9Å; V259-A263 WeakPolarHBondContact O-CB 3.32Å; V259-A263 PolarHBondContact O-N 3.38Å
260N77.2Confident72.2Confident101 Ų10173.1 Ų73.154%0.5445%0.452SS..Hα-helixtrans-64.7-38.4176.9-76.623.9000112.3Q256 H257 A263 A264Q256-N260 PolarHBondContact O-N 2.84Å; Q256-N260 PolarHBondContact O-OD1 2.93Å; H257-N260 PolarHBondContact O-N 2.82Å; N260-A263 PolarHBondContact O-N 3.4Å; N260-A264 WeakPolarHBondContact O-CB 3.27Å; N260-A264 PolarHBondContact O-N 3.27Å
261Q71.9Confident70Confident127 Ų12775.3 Ų75.359%0.59346%0.461SS*.Hα-helixtrans-67.4-40.9176-173172.577.600111.8H257 Q258 V259 A264 A265H257-Q261 WeakPolarHBondContact O-CB 3.49Å; H257-Q261 PolarHBondContact O-N 2.95Å; Q258-Q261 PolarHBondContact O-N 3Å; V259-Q261 PolarHBondContact O-N 3.34Å; Q261-A264 PolarHBondContact O-N 3.48Å; Q261-A265 WeakPolarHBondContact O-CB 3.36Å; Q261-A265 PolarHBondContact O-N 3.46Å
262A67.3Low68.1Low52 Ų5276.7 Ų76.743%0.4348%0.479SS..Hα-helixtrans-66.1-38.7174.200000112.5Q258 V259 A265 A266Q258-A262 WeakPolarHBondContact O-CB 3.44Å; Q258-A262 PolarHBondContact O-N 3.29Å; V259-A262 PolarHBondContact O-N 2.9Å; A262-A265 PolarHBondContact O-N 3.44Å; A262-A266 WeakPolarHBondContact O-CB 3.46Å; A262-A266 PolarHBondContact O-N 3.18Å
263A67.4Low66.1Low44 Ų4483 Ų8336%0.36452%0.518SS..Hα-helixtrans-66.9-38.7174.400000112.1V259 N260 A266 A267V259-A263 WeakPolarHBondContact O-CB 3.32Å; V259-A263 PolarHBondContact O-N 3.38Å; N260-A263 PolarHBondContact O-N 3.4Å; A263-A266 PolarHBondContact O-N 2.89Å; A263-A267 WeakPolarHBondContact O-CB 2.98Å; A263-A267 PolarHBondContact O-N 3.22Å
264A61.2Low64.2Low54 Ų5485.5 Ų85.545%0.44654%0.535SS..Hα-helixtrans-66.1-40.317400000112.3N260 Q261 A267 L268N260-A264 WeakPolarHBondContact O-CB 3.27Å; N260-A264 PolarHBondContact O-N 3.27Å; Q261-A264 PolarHBondContact O-N 3.48Å; A264-A267 PolarHBondContact O-N 2.95Å; A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 2.97Å
265A59.1Low62.7Low39 Ų3988.1 Ų88.132%0.32255%0.548SS..Hα-helixtrans-64-42.417400000112.1Q261 A262 A267 L268 L270Q261-A265 WeakPolarHBondContact O-CB 3.36Å; Q261-A265 PolarHBondContact O-N 3.46Å; A262-A265 PolarHBondContact O-N 3.44Å; A265-A267 PolarHBondContact O-N 3.21Å; A265-L268 PolarHBondContact O-N 3.42Å; A265-L268 VanDerWaalsContact O-N 3.16Å; A265-L270 PolarHBondContact O-N 3.23Å
266A58.2Low60.7Low70 Ų7092.7 Ų92.758%0.57957%0.574SS**Hα-helixtrans-64.4-37.2175.800000112.7A262 A263 L268 G269A262-A266 WeakPolarHBondContact O-CB 3.46Å; A262-A266 PolarHBondContact O-N 3.18Å; A263-A266 PolarHBondContact O-N 2.89Å; A266-L268 PolarHBondContact O-N 2.97Å; A266-G269 PolarHBondContact O-N 3.45Å
267A56Low58.4Low88 Ų8897.9 Ų97.973%0.72760%0.603SS**Hα-helixtrans-67.7-17.6175.100000113.8A263 A264 A265A263-A267 WeakPolarHBondContact O-CB 2.98Å; A263-A267 PolarHBondContact O-N 3.22Å; A264-A267 PolarHBondContact O-N 2.95Å; A265-A267 PolarHBondContact O-N 3.21Å
268L59.9Low56.6Low131 Ų13197.9 Ų97.969%0.68661%0.614SS**THydrogen-bonded Turntrans-95.44.8175.3-67.7170.2000113.2A264 A265 A266 L270A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 2.97Å; A265-L268 PolarHBondContact O-N 3.42Å; A265-L268 VanDerWaalsContact O-N 3.16Å; A266-L268 PolarHBondContact O-N 2.97Å; L268-L270 HydrophobicContact CB-CD1 4.35Å; L268-L270 HydrophobicContact CB-CG 4.39Å; L268-L270 PolarHBondContact O-N 3.4Å
269G44.7Very low54.5Low69 Ų69101.4 Ų101.471%0.71163%0.627SS**THydrogen-bonded Turntrans69.112.6178.100000114.8A266A266-G269 PolarHBondContact O-N 3.45Å
270L49.5Very low53Low109 Ų109111.7 Ų111.757%0.57166%0.664SS**  trans-83.8134.8179.6-65.6171.8000110.3A265 L268A265-L270 PolarHBondContact O-N 3.23Å; L268-L270 HydrophobicContact CB-CD1 4.35Å; L268-L270 HydrophobicContact CB-CG 4.39Å; L268-L270 PolarHBondContact O-N 3.4Å
271P42.9Very low51.1Low104 Ų104113.1 Ų113.168%0.67568%0.679SS**  trans-63.7151.917627.9-34.6000110.6V273P271-V273 PolarHBondContact O-N 3.46Å
272P46.6Very low49.1Very low122 Ų122111.9 Ų111.979%0.79269%0.69SS**  trans-66102.4-177.927.3-34.3000110.4L274P272-L274 PolarHBondContact O-N 3.11Å
273V48.3Very low48.1Very low138 Ų138117.3 Ų117.384%0.83671%0.711SS**  trans-63.3109.1169176.40000107.7P271P271-V273 PolarHBondContact O-N 3.46Å
274L49.3Very low46.5Very low146 Ų146124.6 Ų124.676%0.76474%0.737SS**  trans-58.4137173.9-71.4165.6000109.5P272P272-L274 PolarHBondContact O-N 3.11Å
275P54.1Low45.3Very low104 Ų104131 Ų13168%0.67576%0.755SS**  trans-61.1143.8166.428-33.6000109.1L277P275-L277 PolarHBondContact O-N 3.32Å
276P42.4Very low44Very low128 Ų128134 Ų13483%0.83178%0.78SS**  trans-65.7108.6-177.525.9-33.3000110.4
277L36.2Very low42.8Very low152 Ų152138.3 Ų138.380%0.79679%0.793SS**  trans-65.5128.2170.4-82.4164.4000109.6P275 K279P275-L277 PolarHBondContact O-N 3.32Å; L277-K279 PolarHBondContact O-N 3.46Å; L277-K279 VanDerWaalsContact O-N 3.08Å
278P45.3Very low41.7Very low125 Ų125138 Ų13881%0.81280%0.798SS**  trans-63.8112172.3-18.731.4000109.7R280P278-R280 PolarHBondContact O-N 3.28Å
279K34.5Very low40.4Very low205 Ų205136.7 Ų136.789%0.89181%0.807SS**PPolyproline II helixtrans-66.6125.1175-72.7-176.3177.4179.90109.4L277L277-K279 PolarHBondContact O-N 3.46Å; L277-K279 VanDerWaalsContact O-N 3.08Å
280R41Very low40.3Very low238 Ų238141.4 Ų141.490%0.89882%0.816SS**PPolyproline II helixtrans-63.2134162.5-70.4177.4172.2167.3-4108.5P278 A282P278-R280 PolarHBondContact O-N 3.28Å; R280-A282 PolarHBondContact O-N 3.12Å
281P36.8Very low39.7Very low131 Ų131142.9 Ų142.985%0.85183%0.829SS**PPolyproline II helixtrans-63.7130.5168.8-19.432.4000110
282A31.1Very low40Very low100 Ų100146.8 Ų146.883%0.82684%0.841SS**PPolyproline II helixtrans-77146.8167.200000109.7R280 E284R280-A282 PolarHBondContact O-N 3.12Å; A282-E284 PolarHBondContact O-N 2.9Å
283L45.1Very low39.7Very low166 Ų166151 Ų15187%0.86985%0.847SS**  trans-76.2115.3176.1173.372.3000110
284E34.6Very low39.2Very low197 Ų197150.7 Ų150.792%0.92184%0.841SS**  trans-136.6152.2155.9-90-162.594.300111.2A282A282-E284 PolarHBondContact O-N 2.9Å
285K36.4Very low39.1Very low189 Ų189148.9 Ų148.982%0.82285%0.847SS**  trans-127.7106.8-161176.6-179.6177.2179.10110.2
286A31.1Very low38.9Very low102 Ų102146.3 Ų146.384%0.84384%0.839SS**  trans-145.1145.5166.200000110.4
287N33.7Very low39.4Very low161 Ų161144.9 Ų144.986%0.86183%0.828SS**  trans-85.8134.9-164.2-69.7-30.8000114.2
288G33Very low40Very low81 Ų81146.2 Ų146.284%0.83583%0.827SS**  72.695.1123.500000120.4
289A31.9Very low40.2Very low104 Ų104148.4 Ų148.486%0.8683%0.827SS**  trans-162.2143.8131.600000110.1
290N42.6Very low40.7Very low168 Ų168146.8 Ų146.890%0.89882%0.816SS**  trans-84.1126-174.2-67.3-64.4000113
291T36.5Very low41Very low140 Ų140142.2 Ų142.286%0.85981%0.805SS**  trans-142.3129.514044.30000109.5
292M50.6Low41.7Very low186 Ų186143.4 Ų143.492%0.91680%0.799SS**  trans-83.5124.5175.4-56.7178.4-143.300109.2
293F38.8Very low42.5Very low210 Ų210141.7 Ų141.792%0.92179%0.785SS**  trans-140.9125.6158.1-117.9-85.6000111.6
294N38.7Very low42.8Very low132 Ų132139.4 Ų139.471%0.70677%0.773SS**  trans-91.8111.8-170.8179.1-12.5000110.4G296N294-G296 PolarHBondContact O-N 3.31Å; N294-G296 VanDerWaalsContact O-N 3.11Å; N294-G296 PolarHBondContact OD1-N 3.28Å
295A45.9Very low43.3Very low108 Ų108134 Ų13489%0.89376%0.762SS**THydrogen-bonded Turntrans-78.922.6179.900000114.6
296G49.8Very low43.9Very low50 Ų50132 Ų13252%0.51576%0.761SS.*THydrogen-bonded Turntrans-92.6-11.7-175.600000116.8N294N294-G296 PolarHBondContact O-N 3.31Å; N294-G296 VanDerWaalsContact O-N 3.11Å; N294-G296 PolarHBondContact OD1-N 3.28Å
297V54.2Low44.6Very low97 Ų97135.3 Ų135.359%0.58876%0.76SS**SBendtrans-96.4-28.5-166.4-178.10000114.1Q299 Y300V297-Q299 VanDerWaalsContact C-N 3.31Å; V297-Q299 PolarHBondContact O-N 3.16Å; V297-Y300 PolarHBondContact O-N 3.47Å
298F49Very low44.9Very low180 Ų180137 Ų13779%0.78976%0.764SS**Hα-helixtrans-70.6-23.1-171-138.8-96.8000114.3
299Q49.4Very low44.9Very low172 Ų172142.4 Ų142.480%0.80476%0.764SS**Hα-helixtrans-77.8-30.4178-148.8100.55.400112.8V297V297-Q299 VanDerWaalsContact C-N 3.31Å; V297-Q299 PolarHBondContact O-N 3.16Å
300Y45.6Very low45.1Very low171 Ų171144.1 Ų144.167%0.67175%0.754SS**Hα-helixtrans-76.2-36.2-177.2-168.8-103.7000111.8V297 Q302 A303 L304V297-Y300 PolarHBondContact O-N 3.47Å; Y300-Q302 VanDerWaalsContact C-N 3.33Å; Y300-Q302 PolarHBondContact O-N 2.99Å; Y300-A303 WeakPolarHBondContact O-CB 3.49Å; Y300-A303 PolarHBondContact O-N 3.04Å; Y300-L304 HydrophobicContact CD1-CD1 4.33Å; Y300-L304 HydrophobicContact CE1-CD1 3.96Å
301Q46.6Very low44.8Very low142 Ų142144.9 Ų144.966%0.66475%0.753SS**Hα-helixtrans-70.5-28.1-178.3-159.9163.234.100113.1A303Q301-A303 VanDerWaalsContact C-N 3.32Å
302Q50.9Low44.7Very low155 Ų155146.4 Ų146.472%0.72475%0.75SS**Hα-helixtrans-76.6-17.5174.9-162.4162.362.600113.2Y300Y300-Q302 VanDerWaalsContact C-N 3.33Å; Y300-Q302 PolarHBondContact O-N 2.99Å
303A47.3Very low43.9Very low64 Ų64141.9 Ų141.953%0.52974%0.742SS.*Hα-helixtrans-78.7-26.2176.800000113.5Y300 Q301Y300-A303 WeakPolarHBondContact O-CB 3.49Å; Y300-A303 PolarHBondContact O-N 3.04Å; Q301-A303 VanDerWaalsContact C-N 3.32Å
304L51.4Low43.6Very low119 Ų119136 Ų13662%0.62373%0.733SS**Hα-helixtrans-80.9-21.8179.8-71166.9000113.4Y300 N306Y300-L304 HydrophobicContact CD1-CD1 4.33Å; Y300-L304 HydrophobicContact CE1-CD1 3.96Å; L304-N306 PolarHBondContact O-N 2.96Å
305A46.9Very low43.1Very low83 Ų83139.3 Ų139.369%0.68674%0.741SS**THydrogen-bonded Turntrans-74.5-6.2-177.900000115
306N47.4Very low42.6Very low147 Ų147140.6 Ų140.679%0.78673%0.731SS**THydrogen-bonded Turntrans-112.312-172.7-114.6-35.8000114.7L304L304-N306 PolarHBondContact O-N 2.96Å
307M45.9Very low41.9Very low171 Ų171143.1 Ų143.184%0.84274%0.739SS**  trans-104.812.2177.9-78-67.8-173.300114.5F309M307-F309 VanDerWaalsContact C-N 3.33Å; M307-F309 PolarHBondContact O-N 3.2Å
308Q40.4Very low40.9Very low198 Ų198144 Ų14493%0.92575%0.749SS**  trans-87.869.1169.6-105.6-169.7-88.800111.9
309F33.7Very low40Very low193 Ų193138.9 Ų138.985%0.84675%0.748SS**  trans-74.9133.3153.5-164.7-92.9000109.1M307 Q311M307-F309 VanDerWaalsContact C-N 3.33Å; M307-F309 PolarHBondContact O-N 3.2Å; F309-Q311 PolarHBondContact O-N 3.37Å
310Q35.8Very low39.6Very low140 Ų140136.6 Ų136.665%0.65475%0.751SS**  trans-58.692.9-177.1-173.9179.4-73.700112.7Q312Q310-Q312 HydrophobicContact CG-CG 4.18Å; Q310-Q312 PolarHBondContact O-N 3.45Å
311Q36.7Very low39.2Very low185 Ų185136.8 Ų136.886%0.86476%0.761SS**  trans-73115152.1-76.6-165.631.700108.1F309 A313F309-Q311 PolarHBondContact O-N 3.37Å; Q311-A313 VanDerWaalsContact C-N 3.34Å; Q311-A313 PolarHBondContact O-N 3.08Å; Q311-A313 VanDerWaalsContact O-N 3.1Å
312Q34.5Very low38.6Very low171 Ų171137.3 Ų137.380%0.79977%0.768SS**  trans-77.789.5164.7-78.1167.7-30.100108.2Q310 A314Q310-Q312 HydrophobicContact CG-CG 4.18Å; Q310-Q312 PolarHBondContact O-N 3.45Å; Q312-A314 PolarHBondContact O-N 3.35Å
313A33.3Very low37.8Very low92 Ų92135.4 Ų135.476%0.7677%0.771SS**  trans-67.7126.9165.200000108.9Q311Q311-A313 VanDerWaalsContact C-N 3.34Å; Q311-A313 PolarHBondContact O-N 3.08Å; Q311-A313 VanDerWaalsContact O-N 3.1Å
314A32.9Very low37.1Very low87 Ų87140.3 Ų140.372%0.71978%0.784SS**  trans-67.7137.7176.700000110.7Q312 I316Q312-A314 PolarHBondContact O-N 3.35Å; A314-I316 PolarHBondContact O-N 3.11Å
315F28.3Very low36.5Very low201 Ų201140.3 Ų140.388%0.88279%0.79SS**  trans-76106.5173.8-167.9-93.5000109.2P317F315-P317 WeakPolarHBondContact O-CD 3.41Å
316I33.8Very low36.5Very low134 Ų134142.4 Ų142.469%0.68780%0.796SS**  trans-105112.4175.3-58.3176.7000109A314A314-I316 PolarHBondContact O-N 3.11Å
317P35.1Very low36.1Very low104 Ų104139.7 Ų139.768%0.67579%0.794SS**  trans-85.8110.5153.231.5-26.2000108.9F315 G319F315-P317 WeakPolarHBondContact O-CD 3.41Å; P317-G319 PolarHBondContact O-N 3.43Å
318S33.3Very low35.6Very low114 Ų114138.4 Ų138.480%0.79780%0.796SS**  trans-71.3120.1175-59.80000110.7
319G31.6Very low35.3Very low74 Ų74134 Ų13476%0.76379%0.787SS**  trans-145.984.9175.700000110.8P317 I321P317-G319 PolarHBondContact O-N 3.43Å; G319-I321 PolarHBondContact O-N 3.48Å
320S39Very low35.4Very low124 Ų124131.6 Ų131.687%0.86779%0.788SS**  trans-80.8113.8-177.5-53.70000111.9
321I38.1Very low35.4Very low174 Ų174131.2 Ų131.289%0.89280%0.795SS**  trans-131.3147.8154.4-69.7-170.7000109.2G319G319-I321 PolarHBondContact O-N 3.48Å
322L34.9Very low35.8Very low154 Ų154128 Ų12881%0.80679%0.79SS**  trans-89.2155.8-162.2-66.6155.5000113.9
323C32.3Very low35.8Very low115 Ų115127.3 Ų127.378%0.77779%0.789SS**  trans71.4144.9137.776.80000123.5
324M33.3Very low35.9Very low166 Ų166131.1 Ų131.182%0.81879%0.793SS**  trans91.3127.7151.3-57.3-124.972.500120.5
325T38.5Very low36Very low120 Ų120136.4 Ų136.474%0.73680%0.802SS**  trans-64.9160.5159.651.10000110.5
326P47.2Very low36.1Very low127 Ų127130.9 Ų130.983%0.82580%0.802SS**  -143.3171.590.735.3-18.4000114.8
327A39.8Very low36.1Very low89 Ų89129.6 Ų129.674%0.73681%0.811SS**  trans-80.3156.1168.900000111.7
328T34.3Very low36.1Very low144 Ų144130.4 Ų130.488%0.88382%0.819SS**  -173157.7126.126.40000112.3
329S35.4Very low36.8Very low106 Ų106131 Ų13174%0.74182%0.821SS**  trans-42.7151.6170.9-47.30000116.3
330V36.2Very low37.1Very low143 Ų143132 Ų13287%0.86782%0.821SS**  -165.8148.298.4-89.20000111.9
331V35.4Very low36.8Very low132 Ų132132.1 Ų132.180%0.882%0.817SS**  trans-112.4150.1169.7-158.10000107.7
332P44.8Very low36.6Very low116 Ų116130.7 Ų130.775%0.75382%0.816SS**  -132.4123.4122.4616.1000111.8
333M35.3Very low36.5Very low158 Ų158129.1 Ų129.178%0.77882%0.818SS**  76105.886.9-84.8-74.7-145.100114.4
334M34.9Very low36.5Very low171 Ų171128.9 Ų128.984%0.84283%0.825SS**  trans-172.292.3136.245.3-164.872.100111.6
335H34.1Very low36.4Very low199 Ų199125.4 Ų125.492%0.92182%0.822SS**  trans-150.5121.4154.5-89.990.6000107.5
336G30Very low36.2Very low85 Ų85126.7 Ų126.788%0.87683%0.83SS**  trans-95.6141177.500000111.7
337A33.8Very low35.7Very low106 Ų106126.8 Ų126.888%0.87683%0.828SS**  trans-144.6139165.700000109
338S36.1Very low36.1Very low122 Ų122128.4 Ų128.485%0.85383%0.831SS**PPolyproline II helixtrans-98.3155.5171.9-75.60000110.8
339P47.8Very low36.1Very low127 Ų127125.1 Ų125.183%0.82582%0.819SS**PPolyproline II helixtrans-92167.8-159.736.3-37000115
340A38.3Very low35.9Very low93 Ų93126.7 Ų126.777%0.76982%0.824SS**PPolyproline II helixtrans-89.5155.5175.400000112.9
341T33Very low35.7Very low128 Ų128125.1 Ų125.179%0.78582%0.82SS**  trans-161.3146.1154.312.40000114.4
342V33.1Very low36Very low143 Ų143125.4 Ų125.487%0.86782%0.821SS**  trans70.7155.3153.5-580000122.9
343S32.2Very low36.3Very low121 Ų121125.6 Ų125.685%0.84682%0.822SS**  trans-110.4161.4-156.7-34.90000114.2
344A32.9Very low36.1Very low111 Ų111127.2 Ų127.292%0.91783%0.825SS**  trans-159.2158.7148.300000110.5
345A31.6Very low36Very low92 Ų92122.1 Ų122.176%0.7681%0.811SS**  trans-121.3152.5-170.500000113.3
346T33.7Very low35.9Very low147 Ų147118.7 Ų118.790%0.90280%0.803SS**  trans-166.113714014.40000112.6
347T37.1Very low35.9Very low129 Ų129118.4 Ų118.479%0.79179%0.793SS**  trans-97.9-177.4159.850.20000108.5
348P48.7Very low35.7Very low124 Ų124119.2 Ų119.281%0.80579%0.787SS**  cis-131.4-157.78.339-15.1000111.9
349A33.5Very low35.5Very low75 Ų75117.4 Ų117.462%0.6278%0.779SS**  cis-162.8160.911.600000112.5
350T31.3Very low34.8Very low139 Ų139118.1 Ų118.185%0.85378%0.776SS**  trans58.4147.1152.328.60000119.9
351S32.2Very low34.4Very low110 Ų110122.1 Ų122.177%0.76978%0.779SS**  cis-156.4149.46.643.30000113.1
352V41.6Very low34.6Very low138 Ų138123.8 Ų123.884%0.83678%0.781SS**  trans-120.2157.7155.9-92.20000106.2
353P51.2Low35.3Very low119 Ų119121.7 Ų121.777%0.77377%0.771SS**  -140.6-157.957.737.1-12.2000112.6
354F30.6Very low35.5Very low193 Ų193124.3 Ų124.385%0.84677%0.774SS**  cis-152.2-159.615.6-168.8-116.9000112.8
355A33.4Very low35.6Very low64 Ų64126.1 Ų126.153%0.52977%0.767SS.*  trans-91.8-178.4-169.200000113.7
356T30.9Very low35.7Very low126 Ų126127.2 Ų127.277%0.77377%0.768SS**  cis-159.5179.333.5-12.40000108.3
357A30.7Very low35.9Very low79 Ų79124.4 Ų124.465%0.65376%0.76SS**  cis-160158.212.700000115.4
358T30.9Very low36Very low124 Ų124125.7 Ų125.776%0.76176%0.762SS**  40.698.8129.9-39.10000118.7
359A30.8Very low35.6Very low83 Ų83128.2 Ų128.269%0.68676%0.763SS**  71.711374.400000116.7
360N32.5Very low35.8Very low143 Ų143132.2 Ų132.277%0.76577%0.773SS**  -178138.8122.1-100-35.3000115.8
361Q31.4Very low36.2Very low176 Ų176132.4 Ų132.482%0.82277%0.774SS**  trans71.1120.4147.1-64.2174.131.200123.1
362I36.8Very low36.6Very low163 Ų163132.6 Ų132.684%0.83678%0.775SS**  trans-107.9-178.7151.4-1.9175.1000105.9
363P47.4Very low36.6Very low100 Ų100134.8 Ų134.865%0.64978%0.776SS**  cis-136.1165.2-14.838.2-21.3000115.3
364I36Very low36Very low176 Ų176139 Ų13990%0.90378%0.782SS**  trans-136.5140.9145.9-63.5-173.6000109.7
365I36.3Very low36.5Very low149 Ų149140.4 Ų140.476%0.76478%0.783SS**  trans-97.7142.5-176.3-59.1149.9000109
366S33.3Very low36.8Very low114 Ų114143.4 Ų143.480%0.79780%0.795SS**  trans-163.3139.9135.3-131.80000112.3
367A37.6Very low37.2Very low88 Ų88143.2 Ų143.273%0.72779%0.794SS**  trans-115.6126.2176.100000108.9
368D38.7Very low37.6Very low157 Ų157148 Ų14884%0.8480%0.803SS**  trans-141.679.4169.5-107.1-53.7000110.4
369H40.3Very low37.9Very low177 Ų177154.8 Ų154.882%0.81983%0.829SS**  trans-147.561.9171.9-175.5-79.9000110
370L38.9Very low38.3Very low159 Ų159158.4 Ų158.483%0.83284%0.836SS**  trans-164.441.5160.4-142.670.6000119.1
371T38.5Very low38.6Very low142 Ų142159.2 Ų159.287%0.87184%0.84SS**  trans-144.690.8170.4-33.10000115.7
372S39.8Very low39Very low114 Ų114158.3 Ų158.380%0.79784%0.841SS**  trans-173.876.5136.8-161.20000112
373H42.3Very low39.1Very low185 Ų185158 Ų15886%0.85684%0.841SS**  trans-158.161.1163.6-124.2-80000112.9
374K39.6Very low38.6Very low206 Ų206161.6 Ų161.690%0.89685%0.853SS**  trans-134.1102.4160.8-74.4-167176.9-178.90110.6
375Y40.8Very low38.8Very low223 Ų223160.7 Ų160.788%0.87585%0.85SS**  trans-56.2146.5151.9-101.3-110.5000110
376V39.8Very low39Very low128 Ų128161.5 Ų161.578%0.77686%0.856SS**  trans156.299.2158.2152.20000105.4
377T38.3Very low39.4Very low122 Ų122165.2 Ų165.275%0.74886%0.861SS**  94.8145.389.7-64.50000112.2
378Q39.1Very low39.5Very low179 Ų179171.6 Ų171.684%0.83687%0.872SS**  trans65.9103-179.7-82.1177.720.200116.1
379M38.5Very low39.6Very low267 Ų267172.9 Ų172.9100%1.31588%0.875SS**  -140.9091.5-53.8-171.6-148.400108.7

Retrieved 379 of 379 residues in 510.8 ms (Link to these results)