A0A087YSU3_POEFO Loading...

SRY-box transcription factor 14

AlphaFold DB , UniProt , Accession A0A087YSU3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 239 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
1M43.9Very low76.8Confident244 Ų244133.4 Ų133.4100%1.20270%0.698SS**  079.70-65.9-76.2165.800108.8
2S52.1Low78.6Confident119 Ų119127.4 Ų127.483%0.83267%0.666SS**PPolyproline II helixtrans-61.1137.4168.733.20000108.7
3K64Low80.1Confident192 Ų192124.6 Ų124.684%0.83565%0.652SS**PPolyproline II helixtrans-61.8138.6173-75.2169.7179.8159.50108A5K3-A5 PolarHBondContact O-N 3.43Å
4P59Low81.4Confident99 Ų99117.1 Ų117.164%0.64362%0.616SS**PPolyproline II helixtrans-56.1128.8174.123.5-31.8000108.6D6 H7P4-D6 PolarHBondContact O-N 3.12Å; P4-D6 VanDerWaalsContact O-N 3.11Å; P4-H7 PolarHBondContact O-N 2.89Å
5A69.5Low82.5Confident101 Ų101112.3 Ų112.384%0.83559%0.589SS**THydrogen-bonded Turntrans-61.9-18.8-173.500000112.8K3 H7K3-A5 PolarHBondContact O-N 3.43Å; A5-H7 VanDerWaalsContact C-N 3.34Å; A5-H7 PolarHBondContact O-N 3.07Å
6D84.5Confident83.5Confident149 Ų149110.4 Ų110.480%0.79758%0.577SS**THydrogen-bonded Turntrans-85.62.2-174.4-57.3-33.1000114.7P4 I8P4-D6 PolarHBondContact O-N 3.12Å; P4-D6 VanDerWaalsContact O-N 3.11Å; D6-I8 PolarHBondContact O-N 3.39Å; D6-I8 VanDerWaalsContact O-N 3.07Å
7H88.9Confident84.3Confident140 Ų140105.5 Ų105.565%0.64855%0.553SS**  trans-75.2103.7177.1-177.156.7000112P4 A5 K9P4-H7 PolarHBondContact O-N 2.89Å; A5-H7 VanDerWaalsContact C-N 3.34Å; A5-H7 PolarHBondContact O-N 3.07Å; H7-K9 PolarHBondContact O-N 3.01Å
8I93.4Very high85.1Confident59 Ų59100.7 Ų100.730%0.30353%0.526SS..PPolyproline II helixtrans-64.2116.2172.6-59.4166.6000110.2D6 H68 H72 Y75D6-I8 PolarHBondContact O-N 3.39Å; D6-I8 VanDerWaalsContact O-N 3.07Å; I8-H68 WeakPolarHBondContact CG2-CE1 3.31Å; I8-H72 HydrophobicContact CD1-CB 4.22Å; I8-Y75 HydrophobicContact CB-CD2 3.94Å; I8-Y75 HydrophobicContact CB-CE2 4.05Å; I8-Y75 HydrophobicContact CG2-CD2 3.49Å; I8-Y75 VanDerWaalsContact CG2-CD2 3.49Å; I8-Y75 HydrophobicContact CG2-CE2 3.68Å; I8-Y75 HydrophobicContact CG2-CG 4.45Å
9K94.9Very high85.8Confident169 Ų16995.4 Ų95.474%0.73550%0.498SS*.PPolyproline II helixtrans-75.4153.3177-67.4-178.7-177.4171.50110.9H7 H68H7-K9 PolarHBondContact O-N 3.01Å; K9-H68 PolarHBondContact O-CE1 3.31Å
10R97.1Very high86.3Confident152 Ų15298.9 Ų98.957%0.57451%0.505SS*.PPolyproline II helixtrans-64.1146.9173.3-58.7177.6-157.2-161.214.3111Y75 Y77R10-Y75 VanDerWaalsContact CG-OH 3.27Å; R10-Y75 WeakPolarHBondContact CG-OH 3.46Å; R10-Y77 VanDerWaalsContact CZ-OH 3.29Å; R10-Y77 VanDerWaalsContact NH1-CE2 3.35Å; R10-Y77 PolarHBondContact NH1-OH 2.99Å; R10-Y77 PolarHBondContact NH2-OH 3.46Å
11P97.6Very high86.8Confident43 Ų4395.7 Ų95.728%0.27950%0.496SS..PPolyproline II helixtrans-64.1149.3167.828.1-33000110.2H68P11-H68 HydrophobicContact CB-CB 4.01Å; P11-H68 HydrophobicContact CG-CB 4.2Å
12M98Very high89.4Confident62 Ų6287.1 Ų87.131%0.30545%0.453SS..PPolyproline II helixtrans-71.6135.3178.7-68.3-174.2-67.200110.5M16 V17 L64M12-M16 HydrophobicContact CB-CB 3.97Å; M12-M16 HydrophobicContact CG-CB 4.25Å; M12-V17 HydrophobicContact CB-CG2 3.79Å; M12-V17 HydrophobicContact CE-CG2 4.47Å; M12-L64 HydrophobicContact CB-CD1 4.33Å; M12-L64 HydrophobicContact CE-CD1 4.03Å
13N98.4Very high91.5Very high91 Ų9184.2 Ų84.249%0.48742%0.424SS..PPolyproline II helixtrans-78.7172.2168.470.920.6000110.9F15 M16 V17N13-F15 PolarHBondContact O-N 3.42Å; N13-F15 PolarHBondContact OD1-N 3.1Å; N13-M16 PolarHBondContact O-N 3.11Å; N13-M16 WeakPolarHBondContact OD1-CB 3.34Å; N13-M16 WeakPolarHBondContact OD1-CG 3.45Å; N13-M16 PolarHBondContact OD1-N 3.46Å; N13-V17 WeakPolarHBondContact O-CG2 3.34Å; N13-V17 PolarHBondContact O-N 3.2Å
14A98Very high93.1Very high19 Ų1983.2 Ų83.216%0.15742%0.415CS..Hα-helixtrans-53.9-48-176.100000113.2M16 V17 W18 W46 I58 A61A14-M16 VanDerWaalsContact C-N 3.33Å; A14-M16 PolarHBondContact O-N 2.96Å; A14-V17 PolarHBondContact O-N 3.49Å; A14-W18 PolarHBondContact O-N 3.38Å; A14-W46 HydrophobicContact CB-CH2 4.17Å; A14-W46 HydrophobicContact CB-CZ2 4.11Å; A14-I58 HydrophobicContact CB-CB 4.48Å; A14-I58 HydrophobicContact CB-CG1 3.86Å; A14-A61 HydrophobicContact CB-CB 4.14Å; A14-A61 VanDerWaalsContact N-CB 3.3Å
15F98.2Very high94.9Very high46 Ų4683.9 Ų83.920%0.20241%0.408CS..Hα-helixtrans-61.2-39.6176.5171-100.5000112.5N13 W18 S19 W46N13-F15 PolarHBondContact O-N 3.42Å; N13-F15 PolarHBondContact OD1-N 3.1Å; F15-W18 AromaticContact CD2-CE3 3.93Å; F15-W18 HydrophobicContact CD2-CE3 3.93Å; F15-W18 HydrophobicContact CD2-CZ3 4.04Å; F15-W18 HydrophobicContact CE2-CE3 4.05Å; F15-W18 AromaticContact CE2-CZ3 3.74Å; F15-W18 HydrophobicContact CE2-CZ3 3.74Å; F15-S19 WeakPolarHBondContact O-CB 2.87Å; F15-S19 PolarHBondContact O-N 2.92Å; F15-S19 PolarHBondContact O-OG 3.26Å; F15-W46 HydrophobicContact CB-CD2 4.41Å; F15-W46 HydrophobicContact CD2-CB 3.74Å; F15-W46 AromaticContact CD2-CD1 3.95Å; F15-W46 AromaticContact CD2-CD2 3.94Å; F15-W46 HydrophobicContact CD2-CD2 3.94Å; F15-W46 HydrophobicContact CD2-CE3 4.49Å; F15-W46 AromaticContact CD2-CG 3.57Å; F15-W46 HydrophobicContact CD2-CG 3.57Å; F15-W46 HydrophobicContact CE2-CB 3.92Å; F15-W46 HydrophobicContact CE2-CG 4.26Å
16M98.2Very high96.1Very high81 Ų8180.5 Ų80.540%0.39938%0.375SS..Hα-helixtrans-69.4-34.9178.9-69.9-64.8173.400112M12 N13 A14 R20M12-M16 HydrophobicContact CB-CB 3.97Å; M12-M16 HydrophobicContact CG-CB 4.25Å; N13-M16 PolarHBondContact O-N 3.11Å; N13-M16 WeakPolarHBondContact OD1-CB 3.34Å; N13-M16 WeakPolarHBondContact OD1-CG 3.45Å; N13-M16 PolarHBondContact OD1-N 3.46Å; A14-M16 VanDerWaalsContact C-N 3.33Å; A14-M16 PolarHBondContact O-N 2.96Å; M16-R20 PolarHBondContact O-N 3.24Å
17V98.2Very high96.7Very high28 Ų2875.3 Ų75.317%0.1735%0.353CS..Hα-helixtrans-63.6-53.4173177.40000110.1M12 N13 A14 R20 Y57 E60 A61 L64M12-V17 HydrophobicContact CB-CG2 3.79Å; M12-V17 HydrophobicContact CE-CG2 4.47Å; N13-V17 WeakPolarHBondContact O-CG2 3.34Å; N13-V17 PolarHBondContact O-N 3.2Å; A14-V17 PolarHBondContact O-N 3.49Å; V17-R20 PolarHBondContact O-N 2.98Å; V17-Y57 HydrophobicContact CG1-CD1 4.14Å; V17-E60 HydrophobicContact CG1-CB 4.32Å; V17-E60 HydrophobicContact CG1-CG 3.84Å; V17-A61 HydrophobicContact CG2-CB 4.36Å; V17-L64 HydrophobicContact CG2-CD1 3.73Å
18W98.2Very high97.1Very high18 Ų1875.5 Ų75.57%0.06835%0.354CS..Hα-helixtrans-63-49.8179.7169.981.7000112.9A14 F15 R20 G21 Q22 L42 E45 W46 L49 Y57A14-W18 PolarHBondContact O-N 3.38Å; F15-W18 AromaticContact CD2-CE3 3.93Å; F15-W18 HydrophobicContact CD2-CE3 3.93Å; F15-W18 HydrophobicContact CD2-CZ3 4.04Å; F15-W18 HydrophobicContact CE2-CE3 4.05Å; F15-W18 AromaticContact CE2-CZ3 3.74Å; F15-W18 HydrophobicContact CE2-CZ3 3.74Å; W18-R20 PolarHBondContact O-N 3.18Å; W18-R20 VanDerWaalsContact O-N 3.12Å; W18-G21 PolarHBondContact O-N 3.47Å; W18-Q22 HydrophobicContact CD2-CG 4.09Å; W18-Q22 HydrophobicContact CH2-CG 4.35Å; W18-Q22 HydrophobicContact CZ2-CB 4.44Å; W18-Q22 HydrophobicContact CZ2-CG 3.73Å; W18-Q22 PolarHBondContact O-N 3.49Å; W18-L42 HydrophobicContact CH2-CB 4.23Å; W18-L42 HydrophobicContact CH2-CD2 3.91Å; W18-L42 VanDerWaalsContact CH2-O 3.31Å; W18-L42 WeakPolarHBondContact CH2-O 3.44Å; W18-L42 HydrophobicContact CZ3-CB 3.99Å; W18-L42 HydrophobicContact CZ3-CD2 4.25Å; W18-L42 VanDerWaalsContact CZ3-O 3.25Å; W18-L42 WeakPolarHBondContact CZ3-O 3.35Å; W18-E45 HydrophobicContact CH2-CB 3.85Å; W18-E45 HydrophobicContact CZ2-CB 4.27Å; W18-W46 HydrophobicContact CB-CE3 4.07Å; W18-W46 HydrophobicContact CB-CH2 4.45Å; W18-W46 HydrophobicContact CB-CZ3 3.6Å; W18-W46 AromaticContact CD2-CE3 3.48Å; W18-W46 HydrophobicContact CD2-CE3 3.48Å; W18-W46 VanDerWaalsContact CD2-CE3 3.48Å; W18-W46 AromaticContact CD2-CZ3 3.88Å; W18-W46 HydrophobicContact CD2-CZ3 3.88Å; W18-W46 HydrophobicContact CE3-CB 4.24Å; W18-W46 HydrophobicContact CE3-CD2 4.23Å; W18-W46 AromaticContact CE3-CE3 3.51Å; W18-W46 HydrophobicContact CE3-CE3 3.51Å; W18-W46 HydrophobicContact CE3-CZ3 4.25Å; W18-W46 AromaticContact CG-CE3 3.74Å; W18-W46 HydrophobicContact CG-CE3 3.74Å; W18-W46 AromaticContact CG-CZ3 3.59Å; W18-W46 HydrophobicContact CG-CZ3 3.59Å; W18-W46 HydrophobicContact CH2-CB 4.12Å; W18-W46 HydrophobicContact CZ3-CB 3.75Å; W18-W46 HydrophobicContact CZ3-CE3 4.15Å; W18-L49 HydrophobicContact CD2-CD1 4.32Å; W18-L49 HydrophobicContact CZ2-CD1 3.69Å; W18-Y57 HydrophobicContact CB-CD1 3.75Å; W18-Y57 HydrophobicContact CB-CD2 4.16Å; W18-Y57 HydrophobicContact CB-CE1 4.08Å; W18-Y57 HydrophobicContact CB-CE2 4.48Å; W18-Y57 HydrophobicContact CB-CG 3.78Å; W18-Y57 AromaticContact CD1-CD2 3.96Å; W18-Y57 AromaticContact CD1-CE1 3.96Å; W18-Y57 AromaticContact CD1-CE2 3.54Å; W18-Y57 AromaticContact CD1-CZ 3.54Å; W18-Y57 HydrophobicContact CG-CD2 4.38Å; W18-Y57 HydrophobicContact CG-CE1 4.45Å; W18-Y57 HydrophobicContact CG-CE2 4.35Å; W18-Y57 HydrophobicContact CG-CG 4.46Å
19S97.8Very high97.1Very high0 Ų078 Ų780%037%0.365CS..Hα-helixtrans-66-18.6-175.365.40000113.1F15 R23F15-S19 WeakPolarHBondContact O-CB 2.87Å; F15-S19 PolarHBondContact O-N 2.92Å; F15-S19 PolarHBondContact O-OG 3.26Å; S19-R23 WeakPolarHBondContact O-CB 3.31Å; S19-R23 PolarHBondContact O-N 3.33Å
20R97Very high97Very high165 Ų16573.1 Ų73.162%0.62335%0.346SS*.Hα-helixtrans-60.7-47.2176.4-177.4-178.4-105.1-158.9-4.4111.5M16 V17 W18 R24M16-R20 PolarHBondContact O-N 3.24Å; V17-R20 PolarHBondContact O-N 2.98Å; W18-R20 PolarHBondContact O-N 3.18Å; W18-R20 VanDerWaalsContact O-N 3.12Å; R20-R24 PolarHBondContact O-N 2.84Å
21G96.4Very high96.8Very high32 Ų3271.2 Ų71.233%0.3335%0.354SS..Hα-helixtrans-70.4-47.6177.900000111.8W18 R23 R24 K25W18-G21 PolarHBondContact O-N 3.47Å; G21-R23 PolarHBondContact O-N 3.3Å; G21-R24 PolarHBondContact O-N 3.12Å; G21-K25 PolarHBondContact O-N 2.99Å; G21-K25 VanDerWaalsContact O-N 3.1Å
22Q97.2Very high96.6Very high64 Ų6479.3 Ų79.330%0.29939%0.385SS..Hα-helixtrans-65.7-39.6-177-59.4-56.2-29.900112.9W18 R24 K25 M26 L42W18-Q22 HydrophobicContact CD2-CG 4.09Å; W18-Q22 HydrophobicContact CH2-CG 4.35Å; W18-Q22 HydrophobicContact CZ2-CB 4.44Å; W18-Q22 HydrophobicContact CZ2-CG 3.73Å; W18-Q22 PolarHBondContact O-N 3.49Å; Q22-R24 VanDerWaalsContact C-N 3.3Å; Q22-R24 PolarHBondContact O-N 2.94Å; Q22-K25 PolarHBondContact O-N 3.26Å; Q22-M26 WeakPolarHBondContact O-CG 3.43Å; Q22-M26 PolarHBondContact O-N 3.36Å; Q22-L42 HydrophobicContact CB-CD1 4.46Å; Q22-L42 HydrophobicContact CB-CD2 3.42Å; Q22-L42 VanDerWaalsContact CB-CD2 3.42Å; Q22-L42 HydrophobicContact CG-CD2 4.45Å
23R97.4Very high96.4Very high59 Ų5978.1 Ų78.122%0.22338%0.379CS..Hα-helixtrans-59.9-40.5174.6-177.4-173.1-71.5112.63.9111.8S19 G21 A27 N35 I38 L42S19-R23 WeakPolarHBondContact O-CB 3.31Å; S19-R23 PolarHBondContact O-N 3.33Å; G21-R23 PolarHBondContact O-N 3.3Å; R23-A27 VanDerWaalsContact O-CB 3.23Å; R23-A27 WeakPolarHBondContact O-CB 3.23Å; R23-A27 PolarHBondContact O-N 2.89Å; R23-N35 WeakPolarHBondContact CD-ND2 3.46Å; R23-I38 HydrophobicContact CB-CG2 4.38Å; R23-I38 HydrophobicContact CG-CG2 3.99Å; R23-L42 HydrophobicContact CB-CD1 3.71Å; R23-L42 HydrophobicContact CG-CD1 4.47Å
24R97.2Very high96.3Very high171 Ų17180.3 Ų80.365%0.64539%0.386SS*.Hα-helixtrans-65-45.2177.7-178.2172.661.8-163.10.2111R20 G21 Q22 A27 Q28R20-R24 PolarHBondContact O-N 2.84Å; G21-R24 PolarHBondContact O-N 3.12Å; Q22-R24 VanDerWaalsContact C-N 3.3Å; Q22-R24 PolarHBondContact O-N 2.94Å; R24-A27 PolarHBondContact O-N 2.98Å; R24-Q28 WeakPolarHBondContact O-CG 3.31Å; R24-Q28 PolarHBondContact O-N 3.42Å
25K96.9Very high96.2Very high112 Ų11283.1 Ų83.149%0.48740%0.398SS..Hα-helixtrans-58.5-52.9175.9-178.6179.5172-177.30111.5G21 Q22 A27 Q28 E29G21-K25 PolarHBondContact O-N 2.99Å; G21-K25 VanDerWaalsContact O-N 3.1Å; Q22-K25 PolarHBondContact O-N 3.26Å; K25-A27 VanDerWaalsContact C-N 3.31Å; K25-A27 PolarHBondContact O-N 2.88Å; K25-Q28 PolarHBondContact O-N 3.32Å; K25-Q28 VanDerWaalsContact O-N 3.12Å; K25-E29 WeakPolarHBondContact CE-OE1 3.26Å; K25-E29 WeakPolarHBondContact CG-OE1 2.98Å; K25-E29 WeakPolarHBondContact O-CG 3.47Å; K25-E29 PolarHBondContact O-N 3.3Å
26M95.6Very high96.1Very high31 Ų3183.9 Ų83.915%0.15341%0.409CS..Hα-helixtrans-62.3-36.1179.6-68.8-169.880.100113.3Q22 Q28 N30 I38 R41 L42Q22-M26 WeakPolarHBondContact O-CG 3.43Å; Q22-M26 PolarHBondContact O-N 3.36Å; M26-Q28 VanDerWaalsContact C-N 3.34Å; M26-N30 WeakPolarHBondContact O-CB 3.44Å; M26-N30 PolarHBondContact O-N 3.42Å; M26-I38 HydrophobicContact CB-CG2 3.95Å; M26-I38 HydrophobicContact SD-CG2 4.02Å; M26-R41 HydrophobicContact CE-CB 3.99Å; M26-L42 HydrophobicContact CG-CD2 4.49Å; M26-L42 HydrophobicContact SD-CD2 3.54Å; M26-L42 VanDerWaalsContact SD-CD2 3.54Å; M26-L42 HydrophobicContact SD-CG 3.87Å
27A96.3Very high96Very high40 Ų4083 Ų8333%0.33140%0.404SS..Hα-helixtrans-69.2-32177.200000112.6R23 R24 K25 N30 P31 I38R23-A27 VanDerWaalsContact O-CB 3.23Å; R23-A27 WeakPolarHBondContact O-CB 3.23Å; R23-A27 PolarHBondContact O-N 2.89Å; R24-A27 PolarHBondContact O-N 2.98Å; K25-A27 VanDerWaalsContact C-N 3.31Å; K25-A27 PolarHBondContact O-N 2.88Å; A27-N30 CarbonylContact O-C 3.46Å; A27-P31 VanDerWaalsContact O-CA 3.31Å; A27-P31 WeakPolarHBondContact O-CA 3.48Å; A27-I38 HydrophobicContact CB-CD1 4.05Å
28Q96.4Very high96Very high144 Ų14481.8 Ų81.867%0.67340%0.397SS*.Hα-helixtrans-72.7-42174.3-73.4171.9-18.500111.5R24 K25 M26 N30R24-Q28 WeakPolarHBondContact O-CG 3.31Å; R24-Q28 PolarHBondContact O-N 3.42Å; K25-Q28 PolarHBondContact O-N 3.32Å; K25-Q28 VanDerWaalsContact O-N 3.12Å; M26-Q28 VanDerWaalsContact C-N 3.34Å; Q28-N30 VanDerWaalsContact C-N 3.33Å
29E94.9Very high95.9Very high112 Ų11282.7 Ų82.752%0.52341%0.406SS..Hα-helixtrans-68.9-32.7177-68.5169-179.600112.2K25K25-E29 WeakPolarHBondContact CE-OE1 3.26Å; K25-E29 WeakPolarHBondContact CG-OE1 2.98Å; K25-E29 WeakPolarHBondContact O-CG 3.47Å; K25-E29 PolarHBondContact O-N 3.3Å
30N91.5Very high96Very high65 Ų6589 Ų8935%0.34843%0.433SS..  trans-131.372.7-176.6-62.6-95000111.1M26 A27 Q28 K32 M33M26-N30 WeakPolarHBondContact O-CB 3.44Å; M26-N30 PolarHBondContact O-N 3.42Å; A27-N30 CarbonylContact O-C 3.46Å; Q28-N30 VanDerWaalsContact C-N 3.33Å; N30-K32 PolarHBondContact O-N 3.16Å; N30-K32 VanDerWaalsContact O-N 3.11Å; N30-M33 HydrophobicContact CB-CB 3.76Å; N30-M33 HydrophobicContact CB-CE 3.85Å; N30-M33 WeakPolarHBondContact O-CB 3.5Å; N30-M33 PolarHBondContact O-N 3.44Å
31P92.7Very high96Very high112 Ų11286.6 Ų86.673%0.72742%0.424SS*.THydrogen-bonded Turntrans-64.9-19.7-174.724.9-34.4000114A27A27-P31 VanDerWaalsContact O-CA 3.31Å; A27-P31 WeakPolarHBondContact O-CA 3.48Å
32K94.3Very high96Very high214 Ų21485.2 Ų85.293%0.9341%0.409SS*.THydrogen-bonded Turntrans-85.8-11.3175.1-64.2-176.5-179.8179.60113.5N30N30-K32 PolarHBondContact O-N 3.16Å; N30-K32 VanDerWaalsContact O-N 3.11Å
33M94.3Very high96.1Very high37 Ų3783.3 Ų83.318%0.18241%0.407CS..SBendtrans-78128.6-176.9-170.8179.9-63.800110.9N30 E37 I38 R41N30-M33 HydrophobicContact CB-CB 3.76Å; N30-M33 HydrophobicContact CB-CE 3.85Å; N30-M33 WeakPolarHBondContact O-CB 3.5Å; N30-M33 PolarHBondContact O-N 3.44Å; M33-E37 HydrophobicContact CG-CB 4.07Å; M33-E37 HydrophobicContact CG-CG 4.2Å; M33-E37 HydrophobicContact SD-CG 4.25Å; M33-I38 HydrophobicContact CB-CD1 4.49Å; M33-I38 HydrophobicContact CB-CG1 4.3Å; M33-I38 HydrophobicContact CG-CG1 3.83Å; M33-I38 HydrophobicContact SD-CG1 3.63Å; M33-R41 VanDerWaalsContact CE-CZ 3.5Å; M33-R41 VanDerWaalsContact CE-NH1 3.33Å
34H96.1Very high96.1Very high136 Ų13682.9 Ų82.963%0.6342%0.416SS*.  trans-71.7146.8179.1-164.956.4000111.9S36 E37 I38H34-S36 PolarHBondContact CD2-OG 3.16Å; H34-S36 VanDerWaalsContact CD2-OG 3.24Å; H34-S36 PolarHBondContact O-N 3.45Å; H34-E37 WeakPolarHBondContact O-CB 3.4Å; H34-E37 PolarHBondContact O-N 3.07Å; H34-I38 PolarHBondContact O-N 3.44Å; H34-I38 VanDerWaalsContact O-N 3.16Å
35N94.6Very high96.1Very high79 Ų7979.8 Ų79.842%0.42241%0.409SS..Hα-helixtrans-61.2-30.1-174.6-167.3-87.3000113.7R23 E37 I38 S39R23-N35 WeakPolarHBondContact CD-ND2 3.46Å; N35-E37 VanDerWaalsContact C-N 3.27Å; N35-E37 PolarHBondContact O-N 3.07Å; N35-I38 PolarHBondContact O-N 3.17Å; N35-S39 WeakPolarHBondContact O-CB 3.35Å; N35-S39 PolarHBondContact O-N 2.84Å; N35-S39 PolarHBondContact O-OG 3.25Å; N35-S39 PolarHBondContact OD1-OG 2.8Å
36S96.7Very high96.2Very high62 Ų6276.5 Ų76.543%0.43439%0.393SS..Hα-helixtrans-60.2-41.3174.865.90000111.2H34 S39 K40H34-S36 PolarHBondContact CD2-OG 3.16Å; H34-S36 VanDerWaalsContact CD2-OG 3.24Å; H34-S36 PolarHBondContact O-N 3.45Å; S36-S39 PolarHBondContact O-N 3.01Å; S36-K40 WeakPolarHBondContact O-CG 3.44Å; S36-K40 PolarHBondContact O-N 2.82Å; S36-K40 VanDerWaalsContact O-N 3.07Å
37E97.1Very high96.3Very high62 Ų6283.1 Ų83.129%0.2942%0.421SS..Hα-helixtrans-72.7-42.7179.7-169.854.4-147.300111.4M33 H34 N35 S39 K40 R41M33-E37 HydrophobicContact CG-CB 4.07Å; M33-E37 HydrophobicContact CG-CG 4.2Å; M33-E37 HydrophobicContact SD-CG 4.25Å; H34-E37 WeakPolarHBondContact O-CB 3.4Å; H34-E37 PolarHBondContact O-N 3.07Å; N35-E37 VanDerWaalsContact C-N 3.27Å; N35-E37 PolarHBondContact O-N 3.07Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 2.71Å; E37-K40 WeakPolarHBondContact O-CB 3.5Å; E37-K40 PolarHBondContact O-N 3.49Å; E37-K40 VanDerWaalsContact O-N 3.16Å; E37-K40 IonicContact OE2-NZ 2.8Å; E37-K40 PolarHBondContact OE2-NZ 3.04Å; E37-R41 PolarHBondContact O-N 2.8Å; E37-R41 VanDerWaalsContact O-N 3.07Å; E37-R41 IonicContact OE1-NE 3.6Å
38I97Very high96.4Very high3 Ų387.8 Ų87.82%0.01544%0.44CS..Hα-helixtrans-55.6-45.7172-61.3174000110R23 M26 A27 M33 H34 N35 K40 R41 L42R23-I38 HydrophobicContact CB-CG2 4.38Å; R23-I38 HydrophobicContact CG-CG2 3.99Å; M26-I38 HydrophobicContact CB-CG2 3.95Å; M26-I38 HydrophobicContact SD-CG2 4.02Å; A27-I38 HydrophobicContact CB-CD1 4.05Å; M33-I38 HydrophobicContact CB-CD1 4.49Å; M33-I38 HydrophobicContact CB-CG1 4.3Å; M33-I38 HydrophobicContact CG-CG1 3.83Å; M33-I38 HydrophobicContact SD-CG1 3.63Å; H34-I38 PolarHBondContact O-N 3.44Å; H34-I38 VanDerWaalsContact O-N 3.16Å; N35-I38 PolarHBondContact O-N 3.17Å; I38-K40 VanDerWaalsContact C-N 3.34Å; I38-K40 PolarHBondContact O-N 3.47Å; I38-R41 PolarHBondContact O-N 2.65Å; I38-L42 HydrophobicContact CG2-CD1 3.84Å; I38-L42 HydrophobicContact CG2-CG 4.2Å; I38-L42 WeakPolarHBondContact O-CB 3.41Å; I38-L42 VanDerWaalsContact O-CG 3.26Å; I38-L42 WeakPolarHBondContact O-CG 3.26Å; I38-L42 PolarHBondContact O-N 2.78Å
39S97.4Very high96.4Very high37 Ų3782.6 Ų82.626%0.25942%0.416SS..Hα-helixtrans-65.9-34.7-179.1-61.90000112.9N35 S36 E37 G43N35-S39 WeakPolarHBondContact O-CB 3.35Å; N35-S39 PolarHBondContact O-N 2.84Å; N35-S39 PolarHBondContact O-OG 3.25Å; N35-S39 PolarHBondContact OD1-OG 2.8Å; S36-S39 PolarHBondContact O-N 3.01Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 2.71Å; S39-G43 PolarHBondContact O-N 3.4Å
40K97.9Very high96.5Very high133 Ų13379.5 Ų79.558%0.57841%0.407SS*.Hα-helixtrans-63-49.3173-71.2-179.9-147.81560111.3S36 E37 I38 G43 A44S36-K40 WeakPolarHBondContact O-CG 3.44Å; S36-K40 PolarHBondContact O-N 2.82Å; S36-K40 VanDerWaalsContact O-N 3.07Å; E37-K40 WeakPolarHBondContact O-CB 3.5Å; E37-K40 PolarHBondContact O-N 3.49Å; E37-K40 VanDerWaalsContact O-N 3.16Å; E37-K40 IonicContact OE2-NZ 2.8Å; E37-K40 PolarHBondContact OE2-NZ 3.04Å; I38-K40 VanDerWaalsContact C-N 3.34Å; I38-K40 PolarHBondContact O-N 3.47Å; K40-G43 PolarHBondContact O-N 3.25Å; K40-A44 PolarHBondContact O-N 2.99Å; K40-A44 VanDerWaalsContact O-N 3.16Å
41R97.4Very high96.8Very high113 Ų11381.7 Ų81.743%0.42642%0.415SS..Hα-helixtrans-61.4-47.8179.9-66.3-177.8-174.1-160.62.8111.5M26 M33 E37 I38 G43 A44 E45M26-R41 HydrophobicContact CE-CB 3.99Å; M33-R41 VanDerWaalsContact CE-CZ 3.5Å; M33-R41 VanDerWaalsContact CE-NH1 3.33Å; E37-R41 PolarHBondContact O-N 2.8Å; E37-R41 VanDerWaalsContact O-N 3.07Å; E37-R41 IonicContact OE1-NE 3.6Å; I38-R41 PolarHBondContact O-N 2.65Å; R41-G43 VanDerWaalsContact C-N 3.25Å; R41-G43 PolarHBondContact O-N 3.01Å; R41-A44 WeakPolarHBondContact O-CA 3.42Å; R41-A44 WeakPolarHBondContact O-CB 3.45Å; R41-A44 PolarHBondContact O-N 3.26Å; R41-E45 WeakPolarHBondContact O-CG 3.41Å; R41-E45 PolarHBondContact O-N 2.95Å
42L97.9Very high97Very high3 Ų380.2 Ų80.22%0.01641%0.408CS..Hα-helixtrans-59.1-36.1175.5-68.3178.6000112.9W18 Q22 R23 M26 I38 A44 W46W18-L42 HydrophobicContact CH2-CB 4.23Å; W18-L42 HydrophobicContact CH2-CD2 3.91Å; W18-L42 VanDerWaalsContact CH2-O 3.31Å; W18-L42 WeakPolarHBondContact CH2-O 3.44Å; W18-L42 HydrophobicContact CZ3-CB 3.99Å; W18-L42 HydrophobicContact CZ3-CD2 4.25Å; W18-L42 VanDerWaalsContact CZ3-O 3.25Å; W18-L42 WeakPolarHBondContact CZ3-O 3.35Å; Q22-L42 HydrophobicContact CB-CD1 4.46Å; Q22-L42 HydrophobicContact CB-CD2 3.42Å; Q22-L42 VanDerWaalsContact CB-CD2 3.42Å; Q22-L42 HydrophobicContact CG-CD2 4.45Å; R23-L42 HydrophobicContact CB-CD1 3.71Å; R23-L42 HydrophobicContact CG-CD1 4.47Å; M26-L42 HydrophobicContact CG-CD2 4.49Å; M26-L42 HydrophobicContact SD-CD2 3.54Å; M26-L42 VanDerWaalsContact SD-CD2 3.54Å; M26-L42 HydrophobicContact SD-CG 3.87Å; I38-L42 HydrophobicContact CG2-CD1 3.84Å; I38-L42 HydrophobicContact CG2-CG 4.2Å; I38-L42 WeakPolarHBondContact O-CB 3.41Å; I38-L42 VanDerWaalsContact O-CG 3.26Å; I38-L42 WeakPolarHBondContact O-CG 3.26Å; I38-L42 PolarHBondContact O-N 2.78Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 2.93Å; L42-W46 WeakPolarHBondContact O-CB 3.12Å; L42-W46 PolarHBondContact O-N 3.06Å
43G98Very high97.2Very high24 Ų2474.7 Ų74.725%0.24739%0.385CS..Hα-helixtrans-64.5-33.9174.700000113.2S39 K40 R41 K47S39-G43 PolarHBondContact O-N 3.4Å; K40-G43 PolarHBondContact O-N 3.25Å; R41-G43 VanDerWaalsContact C-N 3.25Å; R41-G43 PolarHBondContact O-N 3.01Å; G43-K47 WeakPolarHBondContact O-CG 3.28Å
44A98Very high97.4Very high50 Ų5074.3 Ų74.341%0.41338%0.382SS..Hα-helixtrans-71.9-50.4174.500000111.2K40 R41 L42 W46 K47 L48K40-A44 PolarHBondContact O-N 2.99Å; K40-A44 VanDerWaalsContact O-N 3.16Å; R41-A44 WeakPolarHBondContact O-CA 3.42Å; R41-A44 WeakPolarHBondContact O-CB 3.45Å; R41-A44 PolarHBondContact O-N 3.26Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 2.93Å; A44-W46 VanDerWaalsContact C-N 3.28Å; A44-W46 PolarHBondContact O-N 3.24Å; A44-K47 WeakPolarHBondContact O-CB 3.31Å; A44-K47 PolarHBondContact O-N 2.82Å; A44-L48 PolarHBondContact O-N 3.16Å
45E97.7Very high97.5Very high106 Ų10675.3 Ų75.350%0.49538%0.381SS..Hα-helixtrans-55.5-42.6176.5-66.9-56.6143.600112W18 R41 K47 L48 L49W18-E45 HydrophobicContact CH2-CB 3.85Å; W18-E45 HydrophobicContact CZ2-CB 4.27Å; R41-E45 WeakPolarHBondContact O-CG 3.41Å; R41-E45 PolarHBondContact O-N 2.95Å; E45-K47 PolarHBondContact O-N 3.49Å; E45-L48 PolarHBondContact O-N 3.3Å; E45-L49 PolarHBondContact O-N 3.18Å
46W98.1Very high97.6Very high43 Ų4375.1 Ų75.116%0.16338%0.384CS..Hα-helixtrans-59.9-34.6176.9-179.9-103000113.2A14 F15 W18 L42 A44 L48 L49 K54 Y57A14-W46 HydrophobicContact CB-CH2 4.17Å; A14-W46 HydrophobicContact CB-CZ2 4.11Å; F15-W46 HydrophobicContact CB-CD2 4.41Å; F15-W46 HydrophobicContact CD2-CB 3.74Å; F15-W46 AromaticContact CD2-CD1 3.95Å; F15-W46 AromaticContact CD2-CD2 3.94Å; F15-W46 HydrophobicContact CD2-CD2 3.94Å; F15-W46 HydrophobicContact CD2-CE3 4.49Å; F15-W46 AromaticContact CD2-CG 3.57Å; F15-W46 HydrophobicContact CD2-CG 3.57Å; F15-W46 HydrophobicContact CE2-CB 3.92Å; F15-W46 HydrophobicContact CE2-CG 4.26Å; W18-W46 HydrophobicContact CB-CE3 4.07Å; W18-W46 HydrophobicContact CB-CH2 4.45Å; W18-W46 HydrophobicContact CB-CZ3 3.6Å; W18-W46 AromaticContact CD2-CE3 3.48Å; W18-W46 HydrophobicContact CD2-CE3 3.48Å; W18-W46 VanDerWaalsContact CD2-CE3 3.48Å; W18-W46 AromaticContact CD2-CZ3 3.88Å; W18-W46 HydrophobicContact CD2-CZ3 3.88Å; W18-W46 HydrophobicContact CE3-CB 4.24Å; W18-W46 HydrophobicContact CE3-CD2 4.23Å; W18-W46 AromaticContact CE3-CE3 3.51Å; W18-W46 HydrophobicContact CE3-CE3 3.51Å; W18-W46 HydrophobicContact CE3-CZ3 4.25Å; W18-W46 AromaticContact CG-CE3 3.74Å; W18-W46 HydrophobicContact CG-CE3 3.74Å; W18-W46 AromaticContact CG-CZ3 3.59Å; W18-W46 HydrophobicContact CG-CZ3 3.59Å; W18-W46 HydrophobicContact CH2-CB 4.12Å; W18-W46 HydrophobicContact CZ3-CB 3.75Å; W18-W46 HydrophobicContact CZ3-CE3 4.15Å; L42-W46 WeakPolarHBondContact O-CB 3.12Å; L42-W46 PolarHBondContact O-N 3.06Å; A44-W46 VanDerWaalsContact C-N 3.28Å; A44-W46 PolarHBondContact O-N 3.24Å; W46-L48 VanDerWaalsContact C-N 3.33Å; W46-L49 HydrophobicContact CE3-CD1 3.68Å; W46-L49 HydrophobicContact CZ3-CD1 4.13Å; W46-K54 HydrophobicContact CE3-CG 4.49Å; W46-K54 HydrophobicContact CH2-CB 3.96Å; W46-K54 HydrophobicContact CH2-CD 4.43Å; W46-K54 HydrophobicContact CH2-CG 3.67Å; W46-K54 HydrophobicContact CZ2-CB 4.3Å; W46-K54 HydrophobicContact CZ2-CD 4.11Å; W46-K54 HydrophobicContact CZ2-CG 3.85Å; W46-K54 HydrophobicContact CZ3-CG 4Å; W46-K54 WeakPolarHBondContact O-CE 3.35Å; W46-K54 PolarHBondContact O-NZ 2.74Å; W46-Y57 HydrophobicContact CZ3-CD2 4.27Å
47K97.7Very high97.7Very high171 Ų17175.9 Ų75.974%0.74338%0.378SS*.Hα-helixtrans-70.7-33.9177.4-70.4175-179.3-176.10111.5G43 A44 E45G43-K47 WeakPolarHBondContact O-CG 3.28Å; A44-K47 WeakPolarHBondContact O-CB 3.31Å; A44-K47 PolarHBondContact O-N 2.82Å; E45-K47 PolarHBondContact O-N 3.49Å
48L97.6Very high97.8Very high138 Ų13874.9 Ų74.972%0.72337%0.374SS*.Hα-helixtrans-76-28-179.5-63.9175.1000113.4A44 E45 W46 S50A44-L48 PolarHBondContact O-N 3.16Å; E45-L48 PolarHBondContact O-N 3.3Å; W46-L48 VanDerWaalsContact C-N 3.33Å; L48-S50 PolarHBondContact O-N 3.05Å
49L97.1Very high97.8Very high34 Ų3478.6 Ų78.618%0.17839%0.394CS..SBendtrans-56.3138175.8-74.5167.1000111.8W18 E45 W46 E53 K54W18-L49 HydrophobicContact CD2-CD1 4.32Å; W18-L49 HydrophobicContact CZ2-CD1 3.69Å; E45-L49 PolarHBondContact O-N 3.18Å; W46-L49 HydrophobicContact CE3-CD1 3.68Å; W46-L49 HydrophobicContact CZ3-CD1 4.13Å; L49-E53 HydrophobicContact CD2-CB 4Å; L49-E53 HydrophobicContact CD2-CG 4.45Å; L49-K54 HydrophobicContact CB-CG 4.13Å; L49-K54 WeakPolarHBondContact O-CE 3.42Å; L49-K54 PolarHBondContact O-NZ 2.86Å
50S98.2Very high97.9Very high47 Ų4779.9 Ų79.933%0.32940%0.396SS..  trans-69.6159.5174.3640000111.6L48 S52 E53 K54L48-S50 PolarHBondContact O-N 3.05Å; S50-S52 PolarHBondContact O-N 3Å; S50-S52 PolarHBondContact OG-OG 3.41Å; S50-E53 WeakPolarHBondContact CB-OE2 3.34Å; S50-E53 PolarHBondContact N-OE2 2.89Å; S50-E53 PolarHBondContact O-N 2.89Å; S50-E53 VanDerWaalsContact OG-CD 3.29Å; S50-E53 VanDerWaalsContact OG-CG 3.26Å; S50-E53 WeakPolarHBondContact OG-CG 3.25Å; S50-E53 PolarHBondContact OG-N 3.08Å; S50-E53 PolarHBondContact OG-OE2 3.17Å; S50-K54 WeakPolarHBondContact O-CG 3.41Å; S50-K54 PolarHBondContact O-N 3.32Å
51E96.8Very high97.9Very high111 Ų11174.1 Ų74.152%0.51937%0.373SS..Hα-helixtrans-62.1-34.8179-167.160.9-151.700111.6E53 K54 R55 I58E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 3.2Å; E51-K54 PolarHBondContact O-N 3.24Å; E51-K54 VanDerWaalsContact O-N 3.17Å; E51-R55 WeakPolarHBondContact O-CG 3.33Å; E51-R55 PolarHBondContact O-N 3.26Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.42Å
52S97.8Very high97.9Very high81 Ų8174.7 Ų74.757%0.56638%0.379SS*.Hα-helixtrans-61.3-39.8175.340.50000112.5S50 K54 P56S50-S52 PolarHBondContact O-N 3Å; S50-S52 PolarHBondContact OG-OG 3.41Å; S52-K54 VanDerWaalsContact C-N 3.34Å; S52-P56 WeakPolarHBondContact O-CD 3.16Å
53E97.3Very high98Very high99 Ų9980.1 Ų80.146%0.46340%0.399SS..Hα-helixtrans-72.9-29.7176-66.2167.6115.600112.2L49 S50 E51 P56 Y57L49-E53 HydrophobicContact CD2-CB 4Å; L49-E53 HydrophobicContact CD2-CG 4.45Å; S50-E53 WeakPolarHBondContact CB-OE2 3.34Å; S50-E53 PolarHBondContact N-OE2 2.89Å; S50-E53 PolarHBondContact O-N 2.89Å; S50-E53 VanDerWaalsContact OG-CD 3.29Å; S50-E53 VanDerWaalsContact OG-CG 3.26Å; S50-E53 WeakPolarHBondContact OG-CG 3.25Å; S50-E53 PolarHBondContact OG-N 3.08Å; S50-E53 PolarHBondContact OG-OE2 3.17Å; E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 3.2Å; E53-P56 WeakPolarHBondContact O-CD 3.37Å; E53-P56 WeakPolarHBondContact O-CG 3.36Å; E53-Y57 VanDerWaalsContact O-CD2 3.28Å; E53-Y57 WeakPolarHBondContact O-CD2 3.48Å; E53-Y57 VanDerWaalsContact O-CE2 3.31Å; E53-Y57 WeakPolarHBondContact O-CE2 3.33Å
54K98.1Very high98Very high28 Ų2880.6 Ų80.612%0.12240%0.396CS..Hα-helixtrans-75.5-32.9176.9-69.7170.1172.7151.10112.8W46 L49 S50 E51 S52 Y57 I58W46-K54 HydrophobicContact CE3-CG 4.49Å; W46-K54 HydrophobicContact CH2-CB 3.96Å; W46-K54 HydrophobicContact CH2-CD 4.43Å; W46-K54 HydrophobicContact CH2-CG 3.67Å; W46-K54 HydrophobicContact CZ2-CB 4.3Å; W46-K54 HydrophobicContact CZ2-CD 4.11Å; W46-K54 HydrophobicContact CZ2-CG 3.85Å; W46-K54 HydrophobicContact CZ3-CG 4Å; W46-K54 WeakPolarHBondContact O-CE 3.35Å; W46-K54 PolarHBondContact O-NZ 2.74Å; L49-K54 HydrophobicContact CB-CG 4.13Å; L49-K54 WeakPolarHBondContact O-CE 3.42Å; L49-K54 PolarHBondContact O-NZ 2.86Å; S50-K54 WeakPolarHBondContact O-CG 3.41Å; S50-K54 PolarHBondContact O-N 3.32Å; E51-K54 PolarHBondContact O-N 3.24Å; E51-K54 VanDerWaalsContact O-N 3.17Å; S52-K54 VanDerWaalsContact C-N 3.34Å; K54-Y57 PolarHBondContact O-N 2.99Å; K54-I58 HydrophobicContact CB-CD1 3.85Å; K54-I58 HydrophobicContact CB-CG1 4.41Å; K54-I58 WeakPolarHBondContact O-CG1 3.45Å; K54-I58 PolarHBondContact O-N 3.25Å
55R98.2Very high98Very high158 Ų15886 Ų8660%0.59641%0.406SS*.Hα-helixtrans-44.2-53.6-177.6-86.4-176.2-174.1174.62.1115E51 Y57 I58 D59E51-R55 WeakPolarHBondContact O-CG 3.33Å; E51-R55 PolarHBondContact O-N 3.26Å; R55-Y57 PolarHBondContact O-N 3.42Å; R55-I58 WeakPolarHBondContact O-CB 3.43Å; R55-I58 PolarHBondContact O-N 2.87Å; R55-I58 VanDerWaalsContact O-N 3.08Å; R55-D59 PolarHBondContact O-N 3.47Å
56P98.3Very high98Very high75 Ų7584 Ų8449%0.48741%0.407SS..Hα-helixtrans-58.5-36.1-179.321.5-34000112.8S52 E53 E60S52-P56 WeakPolarHBondContact O-CD 3.16Å; E53-P56 WeakPolarHBondContact O-CD 3.37Å; E53-P56 WeakPolarHBondContact O-CG 3.36Å; P56-E60 WeakPolarHBondContact O-CB 3.48Å; P56-E60 PolarHBondContact O-N 3.29Å
57Y98.3Very high98Very high77 Ų7785.5 Ų85.530%0.30242%0.416SS..Hα-helixtrans-77.9-30.8178.7-53.8-73.2000112.8V17 W18 W46 E53 K54 R55 A61V17-Y57 HydrophobicContact CG1-CD1 4.14Å; W18-Y57 HydrophobicContact CB-CD1 3.75Å; W18-Y57 HydrophobicContact CB-CD2 4.16Å; W18-Y57 HydrophobicContact CB-CE1 4.08Å; W18-Y57 HydrophobicContact CB-CE2 4.48Å; W18-Y57 HydrophobicContact CB-CG 3.78Å; W18-Y57 AromaticContact CD1-CD2 3.96Å; W18-Y57 AromaticContact CD1-CE1 3.96Å; W18-Y57 AromaticContact CD1-CE2 3.54Å; W18-Y57 AromaticContact CD1-CZ 3.54Å; W18-Y57 HydrophobicContact CG-CD2 4.38Å; W18-Y57 HydrophobicContact CG-CE1 4.45Å; W18-Y57 HydrophobicContact CG-CE2 4.35Å; W18-Y57 HydrophobicContact CG-CG 4.46Å; W46-Y57 HydrophobicContact CZ3-CD2 4.27Å; E53-Y57 VanDerWaalsContact O-CD2 3.28Å; E53-Y57 WeakPolarHBondContact O-CD2 3.48Å; E53-Y57 VanDerWaalsContact O-CE2 3.31Å; E53-Y57 WeakPolarHBondContact O-CE2 3.33Å; K54-Y57 PolarHBondContact O-N 2.99Å; R55-Y57 PolarHBondContact O-N 3.42Å; Y57-A61 VanDerWaalsContact O-CB 3.3Å; Y57-A61 WeakPolarHBondContact O-CB 3.44Å; Y57-A61 PolarHBondContact O-N 2.73Å
58I98.1Very high98Very high41 Ų4178.2 Ų78.221%0.2138%0.384CS..Hα-helixtrans-65.5-47172.6-68.9168.3000109.7A14 E51 K54 R55 A61 K62A14-I58 HydrophobicContact CB-CB 4.48Å; A14-I58 HydrophobicContact CB-CG1 3.86Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.42Å; K54-I58 HydrophobicContact CB-CD1 3.85Å; K54-I58 HydrophobicContact CB-CG1 4.41Å; K54-I58 WeakPolarHBondContact O-CG1 3.45Å; K54-I58 PolarHBondContact O-N 3.25Å; R55-I58 WeakPolarHBondContact O-CB 3.43Å; R55-I58 PolarHBondContact O-N 2.87Å; R55-I58 VanDerWaalsContact O-N 3.08Å; I58-A61 PolarHBondContact O-N 3.02Å; I58-K62 WeakPolarHBondContact O-CG 3.47Å; I58-K62 PolarHBondContact O-N 3.47Å
59D98.4Very high98Very high82 Ų8276.5 Ų76.544%0.43937%0.374SS..Hα-helixtrans-68.9-38.3-179.3-65.9-25.5000111.6R55 A61 K62 R63R55-D59 PolarHBondContact O-N 3.47Å; D59-A61 PolarHBondContact O-N 2.9Å; D59-K62 WeakPolarHBondContact O-CB 3.38Å; D59-K62 PolarHBondContact O-N 2.86Å; D59-K62 IonicContact OD1-NZ 3.4Å; D59-K62 PolarHBondContact OD1-NZ 3.33Å; D59-R63 WeakPolarHBondContact O-CB 3.18Å; D59-R63 PolarHBondContact O-N 3.23Å
60E98.4Very high98Very high63 Ų6383.7 Ų83.729%0.29440%0.403SS..Hα-helixtrans-63.7-40.1172.3-178.557.2-163.400112.2V17 P56 K62 R63 L64V17-E60 HydrophobicContact CG1-CB 4.32Å; V17-E60 HydrophobicContact CG1-CG 3.84Å; P56-E60 WeakPolarHBondContact O-CB 3.48Å; P56-E60 PolarHBondContact O-N 3.29Å; E60-K62 VanDerWaalsContact C-N 3.34Å; E60-K62 PolarHBondContact O-N 2.96Å; E60-R63 WeakPolarHBondContact O-CB 2.83Å; E60-R63 PolarHBondContact O-N 2.95Å; E60-R63 IonicContact OE1-CZ 3.25Å; E60-R63 IonicContact OE1-NE 3.75Å; E60-R63 PolarHBondContact OE1-NE 3Å; E60-R63 IonicContact OE1-NH2 2.71Å; E60-R63 PolarHBondContact OE1-NH2 3.23Å; E60-R63 IonicContact OE2-CZ 2.82Å; E60-R63 IonicContact OE2-NE 2.88Å; E60-R63 PolarHBondContact OE2-NE 3.05Å; E60-R63 IonicContact OE2-NH2 3.81Å; E60-L64 HydrophobicContact CG-CD1 4.32Å; E60-L64 WeakPolarHBondContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.35Å; E60-L64 PolarHBondContact O-N 3.4Å
61A98.4Very high97.9Very high13 Ų1386.7 Ų86.711%0.10741%0.412CS..Hα-helixtrans-65-37.3174.600000112.5A14 V17 Y57 I58 D59 R65A14-A61 HydrophobicContact CB-CB 4.14Å; A14-A61 VanDerWaalsContact N-CB 3.3Å; V17-A61 HydrophobicContact CG2-CB 4.36Å; Y57-A61 VanDerWaalsContact O-CB 3.3Å; Y57-A61 WeakPolarHBondContact O-CB 3.44Å; Y57-A61 PolarHBondContact O-N 2.73Å; I58-A61 PolarHBondContact O-N 3.02Å; D59-A61 PolarHBondContact O-N 2.9Å; A61-R65 WeakPolarHBondContact O-CB 3.2Å; A61-R65 PolarHBondContact O-N 3.3Å
62K98.6Very high97.9Very high124 Ų12484.3 Ų84.354%0.53940%0.401SS..Hα-helixtrans-62.9-45172-69.7172-167.6155.30110.8I58 D59 E60 R65 A66I58-K62 WeakPolarHBondContact O-CG 3.47Å; I58-K62 PolarHBondContact O-N 3.47Å; D59-K62 WeakPolarHBondContact O-CB 3.38Å; D59-K62 PolarHBondContact O-N 2.86Å; D59-K62 IonicContact OD1-NZ 3.4Å; D59-K62 PolarHBondContact OD1-NZ 3.33Å; E60-K62 VanDerWaalsContact C-N 3.34Å; E60-K62 PolarHBondContact O-N 2.96Å; K62-R65 PolarHBondContact O-N 3.3Å; K62-A66 PolarHBondContact O-N 2.88Å
63R98.6Very high97.7Very high117 Ų11785 Ų8544%0.44240%0.403SS..Hα-helixtrans-58.6-49.1177.2-166.9-164.47071.44.1111.2D59 E60 R65 A66 Q67D59-R63 WeakPolarHBondContact O-CB 3.18Å; D59-R63 PolarHBondContact O-N 3.23Å; E60-R63 WeakPolarHBondContact O-CB 2.83Å; E60-R63 PolarHBondContact O-N 2.95Å; E60-R63 IonicContact OE1-CZ 3.25Å; E60-R63 IonicContact OE1-NE 3.75Å; E60-R63 PolarHBondContact OE1-NE 3Å; E60-R63 IonicContact OE1-NH2 2.71Å; E60-R63 PolarHBondContact OE1-NH2 3.23Å; E60-R63 IonicContact OE2-CZ 2.82Å; E60-R63 IonicContact OE2-NE 2.88Å; E60-R63 PolarHBondContact OE2-NE 3.05Å; E60-R63 IonicContact OE2-NH2 3.81Å; R63-R65 VanDerWaalsContact C-N 3.32Å; R63-R65 PolarHBondContact O-N 3Å; R63-A66 PolarHBondContact O-N 3Å; R63-Q67 WeakPolarHBondContact O-CB 3.49Å; R63-Q67 PolarHBondContact O-N 3.07Å
64L98.3Very high97.6Very high34 Ų3487.6 Ų87.618%0.17842%0.421CS..Hα-helixtrans-61.5-39176.8-72.6172.4000112.3M12 V17 E60 H68M12-L64 HydrophobicContact CB-CD1 4.33Å; M12-L64 HydrophobicContact CE-CD1 4.03Å; V17-L64 HydrophobicContact CG2-CD1 3.73Å; E60-L64 HydrophobicContact CG-CD1 4.32Å; E60-L64 WeakPolarHBondContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.35Å; E60-L64 PolarHBondContact O-N 3.4Å; L64-H68 WeakPolarHBondContact O-CB 3.41Å; L64-H68 PolarHBondContact O-N 3.11Å
65R97.8Very high97.5Very high165 Ų16589 Ų8962%0.62343%0.426SS*.Hα-helixtrans-64.5-46.1175.4-176.1-179-179.9-169.3-1.1111.5A61 K62 R63 H68 M69A61-R65 WeakPolarHBondContact O-CB 3.2Å; A61-R65 PolarHBondContact O-N 3.3Å; K62-R65 PolarHBondContact O-N 3.3Å; R63-R65 VanDerWaalsContact C-N 3.32Å; R63-R65 PolarHBondContact O-N 3Å; R65-H68 PolarHBondContact O-N 3.23Å; R65-M69 VanDerWaalsContact O-CG 3.31Å; R65-M69 WeakPolarHBondContact O-CG 3.16Å; R65-M69 PolarHBondContact O-N 2.91Å
66A97.9Very high97.3Very high63 Ų6388.5 Ų88.552%0.52143%0.428SS..Hα-helixtrans-63.2-45.2178.400000111.4K62 R63 H68 M69 K70K62-A66 PolarHBondContact O-N 2.88Å; R63-A66 PolarHBondContact O-N 3Å; A66-H68 VanDerWaalsContact C-N 3.33Å; A66-H68 PolarHBondContact O-N 3.02Å; A66-M69 PolarHBondContact O-N 3.25Å; A66-K70 PolarHBondContact O-N 3.44Å
67Q98.1Very high97.1Very high74 Ų7490.4 Ų90.435%0.34643%0.426SS..Hα-helixtrans-57.7-46.5174.3180172.9-5.600111.2R63 M69 K70 E71R63-Q67 WeakPolarHBondContact O-CB 3.49Å; R63-Q67 PolarHBondContact O-N 3.07Å; Q67-M69 VanDerWaalsContact C-N 3.34Å; Q67-M69 PolarHBondContact O-N 2.89Å; Q67-K70 WeakPolarHBondContact O-CB 3.39Å; Q67-K70 PolarHBondContact O-N 3.14Å; Q67-K70 VanDerWaalsContact O-N 3.14Å; Q67-E71 HydrophobicContact CG-CG 4.34Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.2Å; Q67-E71 PolarHBondContact NE2-OE1 2.91Å; Q67-E71 WeakPolarHBondContact O-CG 3.44Å; Q67-E71 PolarHBondContact O-N 3.4Å
68H98Very high96.9Very high19 Ų1996.3 Ų96.39%0.08845%0.448CS..Hα-helixtrans-61.7-39.5178.2-171.981.3000113.2I8 K9 P11 L64 R65 A66 K70 H72 Y75I8-H68 WeakPolarHBondContact CG2-CE1 3.31Å; K9-H68 PolarHBondContact O-CE1 3.31Å; P11-H68 HydrophobicContact CB-CB 4.01Å; P11-H68 HydrophobicContact CG-CB 4.2Å; L64-H68 WeakPolarHBondContact O-CB 3.41Å; L64-H68 PolarHBondContact O-N 3.11Å; R65-H68 PolarHBondContact O-N 3.23Å; A66-H68 VanDerWaalsContact C-N 3.33Å; A66-H68 PolarHBondContact O-N 3.02Å; H68-K70 VanDerWaalsContact C-N 3.32Å; H68-H72 AromaticContact CE1-CD2 3.55Å; H68-H72 AromaticContact ND1-CD2 3.62Å; H68-H72 WeakPolarHBondContact O-CB 3.43Å; H68-H72 PolarHBondContact O-N 2.99Å; H68-Y75 AromaticContact CD2-CD1 3.86Å; H68-Y75 AromaticContact NE2-CD1 3.44Å; H68-Y75 WeakPolarHBondContact NE2-CD1 3.41Å; H68-Y75 AromaticContact NE2-CD2 3.61Å; H68-Y75 AromaticContact NE2-CE1 3.63Å; H68-Y75 AromaticContact NE2-CE2 3.78Å; H68-Y75 AromaticContact NE2-CG 3.42Å; H68-Y75 AromaticContact NE2-CZ 3.78Å
69M97.1Very high96.6Very high102 Ų10298.1 Ų98.150%0.50246%0.462SS..Hα-helixtrans-68.5-32.2176-66-138.971.400112.4R65 A66 Q67 H72 P73R65-M69 VanDerWaalsContact O-CG 3.31Å; R65-M69 WeakPolarHBondContact O-CG 3.16Å; R65-M69 PolarHBondContact O-N 2.91Å; A66-M69 PolarHBondContact O-N 3.25Å; Q67-M69 VanDerWaalsContact C-N 3.34Å; Q67-M69 PolarHBondContact O-N 2.89Å; M69-H72 CarbonylContact O-C 3.41Å; M69-P73 WeakPolarHBondContact O-CA 3.31Å
70K97.3Very high96.3Very high184 Ų184104.2 Ų104.280%0.848%0.479SS*.Hα-helixtrans-71.5-44.2175.2-176.3-178177.3-1770112A66 Q67 H68 H72A66-K70 PolarHBondContact O-N 3.44Å; Q67-K70 WeakPolarHBondContact O-CB 3.39Å; Q67-K70 PolarHBondContact O-N 3.14Å; Q67-K70 VanDerWaalsContact O-N 3.14Å; H68-K70 VanDerWaalsContact C-N 3.32Å; K70-H72 VanDerWaalsContact C-N 3.35Å
71E96.8Very high95.9Very high110 Ų110112 Ų11251%0.51451%0.506SS..Hα-helixtrans-73.1-29.1-180-70.8170.5-178.800112.4Q67Q67-E71 HydrophobicContact CG-CG 4.34Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.2Å; Q67-E71 PolarHBondContact NE2-OE1 2.91Å; Q67-E71 WeakPolarHBondContact O-CG 3.44Å; Q67-E71 PolarHBondContact O-N 3.4Å
72H95.1Very high95.4Very high61 Ų61119.6 Ų119.628%0.28254%0.536SS..  trans-133.275.7-178.3-53.3-63.9000111I8 H68 M69 K70 D74 Y75I8-H72 HydrophobicContact CD1-CB 4.22Å; H68-H72 AromaticContact CE1-CD2 3.55Å; H68-H72 AromaticContact ND1-CD2 3.62Å; H68-H72 WeakPolarHBondContact O-CB 3.43Å; H68-H72 PolarHBondContact O-N 2.99Å; M69-H72 CarbonylContact O-C 3.41Å; K70-H72 VanDerWaalsContact C-N 3.35Å; H72-D74 VanDerWaalsContact C-N 3.28Å; H72-D74 PolarHBondContact O-N 3.33Å; H72-Y75 WeakPolarHBondContact O-CB 3.27Å; H72-Y75 PolarHBondContact O-N 2.96Å; H72-Y75 VanDerWaalsContact O-N 3.08Å
73P94.9Very high94.8Very high95 Ų95118.9 Ų118.962%0.61755%0.545SS*.THydrogen-bonded Turntrans-62.2-33.7-178.123.8-33.5000112.9M69 Y75M69-P73 WeakPolarHBondContact O-CA 3.31Å; P73-Y75 VanDerWaalsContact C-N 3.28Å; P73-Y75 PolarHBondContact O-N 3.07Å
74D94.4Very high94.1Very high155 Ų155122.1 Ų122.183%0.82956%0.562SS**THydrogen-bonded Turntrans-86.26.4178.2-59.6-46.8000113.7H72 K76H72-D74 VanDerWaalsContact C-N 3.28Å; H72-D74 PolarHBondContact O-N 3.33Å; D74-K76 PolarHBondContact O-N 2.87Å; D74-K76 VanDerWaalsContact O-N 3.13Å
75Y95.8Very high93.1Very high56 Ų56127.2 Ų127.222%0.2259%0.589CS.*  trans-62.8119.1-179.2179.5-101.9000111.5I8 R10 H68 H72 P73I8-Y75 HydrophobicContact CB-CD2 3.94Å; I8-Y75 HydrophobicContact CB-CE2 4.05Å; I8-Y75 HydrophobicContact CG2-CD2 3.49Å; I8-Y75 VanDerWaalsContact CG2-CD2 3.49Å; I8-Y75 HydrophobicContact CG2-CE2 3.68Å; I8-Y75 HydrophobicContact CG2-CG 4.45Å; R10-Y75 VanDerWaalsContact CG-OH 3.27Å; R10-Y75 WeakPolarHBondContact CG-OH 3.46Å; H68-Y75 AromaticContact CD2-CD1 3.86Å; H68-Y75 AromaticContact NE2-CD1 3.44Å; H68-Y75 WeakPolarHBondContact NE2-CD1 3.41Å; H68-Y75 AromaticContact NE2-CD2 3.61Å; H68-Y75 AromaticContact NE2-CE1 3.63Å; H68-Y75 AromaticContact NE2-CE2 3.78Å; H68-Y75 AromaticContact NE2-CG 3.42Å; H68-Y75 AromaticContact NE2-CZ 3.78Å; H72-Y75 WeakPolarHBondContact O-CB 3.27Å; H72-Y75 PolarHBondContact O-N 2.96Å; H72-Y75 VanDerWaalsContact O-N 3.08Å; P73-Y75 VanDerWaalsContact C-N 3.28Å; P73-Y75 PolarHBondContact O-N 3.07Å
76K94.4Very high91.6Very high148 Ų148126.2 Ų126.264%0.64360%0.596SS**  trans-125.7125.4174.6-170.3169.5-174.9170.70111.5D74 R78D74-K76 PolarHBondContact O-N 2.87Å; D74-K76 VanDerWaalsContact O-N 3.13Å; K76-R78 HydrophobicContact CG-CG 4.49Å; K76-R78 PolarHBondContact O-N 3.37Å
77Y95.3Very high90Very high116 Ų116130.6 Ų130.646%0.45561%0.609SS.*  trans-69115.4174.8175.8-133.1000111.3R10 P79R10-Y77 VanDerWaalsContact CZ-OH 3.29Å; R10-Y77 VanDerWaalsContact NH1-CE2 3.35Å; R10-Y77 PolarHBondContact NH1-OH 2.99Å; R10-Y77 PolarHBondContact NH2-OH 3.46Å; Y77-P79 HydrophobicContact CD1-CG 4.36Å; Y77-P79 HydrophobicContact CE1-CB 4.41Å; Y77-P79 HydrophobicContact CE1-CG 3.68Å; Y77-P79 HydrophobicContact CE2-CB 4.07Å; Y77-P79 HydrophobicContact CE2-CG 4Å; Y77-P79 VanDerWaalsContact CZ-CG 3.48Å; Y77-P79 WeakPolarHBondContact OH-CB 3.42Å
78R92.9Very high88.1Confident201 Ų201136.5 Ų136.576%0.75863%0.634SS**  trans-122.688.4178-65-178.8-178.3-1314.4110.6K76 R80K76-R78 HydrophobicContact CG-CG 4.49Å; K76-R78 PolarHBondContact O-N 3.37Å; R78-R80 PolarHBondContact O-N 3.16Å
79P93.1Very high86Confident78 Ų78144.1 Ų144.151%0.50667%0.667SS.*  trans-59.5128.1175.55.3-8.7000111.5Y77 R81Y77-P79 HydrophobicContact CD1-CG 4.36Å; Y77-P79 HydrophobicContact CE1-CB 4.41Å; Y77-P79 HydrophobicContact CE1-CG 3.68Å; Y77-P79 HydrophobicContact CE2-CB 4.07Å; Y77-P79 HydrophobicContact CE2-CG 4Å; Y77-P79 VanDerWaalsContact CZ-CG 3.48Å; Y77-P79 WeakPolarHBondContact OH-CB 3.42Å; P79-R81 PolarHBondContact O-N 3.33Å
80R91.2Very high84.1Confident211 Ų211146.3 Ų146.380%0.79668%0.681SS**  trans-76112.7175.8-171.3173.5-171.7-86.22.7110R78R78-R80 PolarHBondContact O-N 3.16Å
81R90.1Very high82.1Confident226 Ų226148.8 Ų148.885%0.85369%0.685SS**PPolyproline II helixtrans-72.9129.8169.8-61.1-17576.7165.52.3108.7P79P79-R81 PolarHBondContact O-N 3.33Å
82K88.3Confident79.9Confident172 Ų172153.9 Ų153.975%0.74870%0.701SS**PPolyproline II helixtrans-88138166.9-66.4-174.8178.9-177.40108.1K84K82-K84 PolarHBondContact O-N 3.42Å
83P86.3Confident78Confident110 Ų110157 Ų15771%0.71472%0.724SS**PPolyproline II helixtrans-59.6129.3173.224.4-31.5000108.9N85P83-N85 PolarHBondContact O-N 3.08Å
84K81.9Confident75.9Confident184 Ų184160.4 Ų160.480%0.873%0.729SS**  trans-78.5109.9171.4-69.1-176.6177.9-178.40106.6K82 L86K82-K84 PolarHBondContact O-N 3.42Å; K84-L86 PolarHBondContact O-N 3.21Å
85N77.6Confident74.2Confident141 Ų141158.5 Ų158.575%0.75473%0.726SS**  trans-67.398.1170.7-80.1-58.3000108.6P83 L87P83-N85 PolarHBondContact O-N 3.08Å; N85-L87 PolarHBondContact O-N 3.13Å
86L67.1Low72.1Confident145 Ų145163 Ų16376%0.75975%0.752SS**  trans-75-10.2176.7-70174.7000112.9K84 K88K84-L86 PolarHBondContact O-N 3.21Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.32Å; L86-K88 VanDerWaalsContact O-N 3.16Å
87L63.7Low70Confident154 Ų154161.7 Ų161.781%0.80676%0.759SS**THydrogen-bonded Turntrans-83.117.3-170.7-59.2176.4000115.7N85N85-L87 PolarHBondContact O-N 3.13Å
88K58.3Low67.6Low198 Ų198165.4 Ų165.486%0.86177%0.774SS**THydrogen-bonded Turntrans-11918.6172.6-71-169.3178.4-172.80113.3L86L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.32Å; L86-K88 VanDerWaalsContact O-N 3.16Å
89K55.1Low65.5Low180 Ų180163.7 Ų163.778%0.78378%0.779SS**  trans-10417.2178.3-158.7162.4177.3177.80114.3
90D56.3Low63Low148 Ų148162.5 Ų162.579%0.79178%0.781SS**SBendtrans-107.214.2174.9-68.1-21.3000114.3
91R56.4Low60.4Low235 Ų235158.8 Ų158.889%0.88778%0.777SS**  trans-125.631.1175.1-78.2-99.7-75-171.4-3.3113.3
92Y50.1Low58.2Low217 Ų217154.3 Ų154.385%0.85178%0.775SS**  trans-109.371.8158.8-104.2-85.9000108.5F94Y92-F94 PolarHBondContact O-N 3.31Å
93V54.6Low55.9Low128 Ų128153.1 Ų153.178%0.77678%0.777SS**  trans-73.4104.3157.8178.40000105.3P95V93-P95 WeakPolarHBondContact O-CD 3.18Å
94F51.3Low53.8Low165 Ų165156.1 Ų156.172%0.72478%0.781SS**  trans-58.7122.8168.8-156.7-91.8000107.4Y92 L96Y92-F94 PolarHBondContact O-N 3.31Å; F94-L96 PolarHBondContact O-N 3.32Å
95P57.5Low51.9Low116 Ų116153.2 Ų153.275%0.75377%0.773SS**  trans-67101.4174.9-1629.9000108.5V93V93-P95 WeakPolarHBondContact O-CD 3.18Å
96L52.6Low50.1Low149 Ų149155.5 Ų155.578%0.7878%0.777SS**PPolyproline II helixtrans-69131.1165.8-113.392.9000107.9F94 Y98F94-L96 PolarHBondContact O-N 3.32Å; L96-Y98 PolarHBondContact O-N 2.97Å
97P49.3Very low48.4Very low121 Ų121152.5 Ų152.579%0.78678%0.78SS**PPolyproline II helixtrans-69.7121.4170.528.5-29.9000109
98Y45.8Very low47Very low194 Ų194153 Ų15376%0.76178%0.783SS**PPolyproline II helixtrans-56125.3173.7175.2-98.5000111.4L96L96-Y98 PolarHBondContact O-N 2.97Å
99L47.9Very low46.6Very low165 Ų165148.9 Ų148.986%0.86478%0.776SS**  trans-107.3133.3151.4-79.1175.1000106.9
100G40.8Very low45.6Very low53 Ų53146.2 Ų146.255%0.54678%0.775SS.*  trans-61.7-175.6-177.100000113.4
101D38.2Very low44.6Very low134 Ų134144.3 Ų144.372%0.71777%0.773SS**  cis-165.1160.812.8-170.91.9000104.5
102T42.5Very low43.6Very low132 Ų132137.5 Ų137.581%0.8177%0.767SS**  trans157.5125.3146.155.30000111.3
103D40Very low43Very low147 Ų147131.4 Ų131.479%0.78676%0.761SS**  trans-39.1132.9172.1-62.6-71.8000116.3
104H43.5Very low42Very low173 Ų173132.6 Ų132.680%0.80176%0.763SS**  trans-166.7105134.6-115.9-68.5000113.6
105L41.2Very low41.3Very low123 Ų123130 Ų13064%0.64477%0.766SS**  trans38.4118.3136-66.9173.4000121.8
106K39Very low40.4Very low189 Ų189132.3 Ų132.382%0.82277%0.771SS**  trans79.9116.3132.7-58.4173.4-164.4-170.10119.2
107G32.9Very low39.9Very low81 Ų81133.9 Ų133.984%0.83578%0.779SS**  trans153.779.5150.800000116.4
108L34.5Very low39.1Very low166 Ų166131.7 Ų131.787%0.86978%0.778SS**  trans-71163.1157.1-83.6173.6000109.8
109P48.3Very low38.5Very low111 Ų111128 Ų12872%0.72178%0.781SS**  cis-150.71614239.3-16.3000120.6
110V34.7Very low37.8Very low124 Ų124124.3 Ų124.375%0.75277%0.769SS**  trans75.1108.4134170.70000120.2
111S35.2Very low37.6Very low108 Ų108129.9 Ų129.976%0.75578%0.781SS**  172.4130.7107.2-80.10000113.9
112A36.3Very low37.6Very low92 Ų92133.5 Ų133.576%0.7679%0.79SS**  trans50.1111.4146.500000119.4
113A36.3Very low37.3Very low88 Ų88132.2 Ų132.273%0.72779%0.793SS**  57.5112.489.700000111.1
114D33.2Very low37.4Very low153 Ų153136.6 Ų136.682%0.81880%0.799SS**  179.6143.263.6-106.6-46000103.8
115S36.8Very low37.5Very low111 Ų111132 Ų13278%0.77679%0.791SS**  177.4136.564.3-91.50000107.2
116L39.8Very low37.5Very low165 Ų165136 Ų13686%0.86480%0.803SS**  trans-89.7138.9166.7-70.2163.7000109.5
117L40.8Very low38Very low182 Ų182134.7 Ų134.795%0.95381%0.805SS**  175.6136.8127.5-114.790.2000110.7
118G32.8Very low38.5Very low74 Ų74136.4 Ų136.476%0.76380%0.801SS**  trans135.761.2150.400000120.1
119S33.3Very low39.5Very low117 Ų117134.9 Ų134.982%0.81880%0.801SS**  trans32.7129.6136.9-140.40000124.2
120S33.7Very low39.2Very low88 Ų88136 Ų13662%0.61581%0.806SS**  trans64.2117.6137.5-103.20000125
121E36.3Very low40.3Very low170 Ų170134.9 Ų134.979%0.79480%0.804SS**  71.8104125.7-70172.6109.100121.3
122K39.2Very low40.8Very low209 Ų209134.1 Ų134.191%0.90980%0.804SS**  -174.7105.7104.6-102.2165.4-179.1164.90111.2
123A35.1Very low41.6Very low106 Ų106135.1 Ų135.188%0.87680%0.802SS**  trans-84.6130.6161.400000109.3
124R43.4Very low41.7Very low239 Ų239140.3 Ų140.390%0.90281%0.805SS**  trans-137.7113.1154.8-158164-172.6146.20.2108.6
125A43.7Very low42.1Very low77 Ų77139.1 Ų139.164%0.63681%0.808SS**  trans-59.2153.9177.700000112.6
126F41.7Very low42.4Very low206 Ų206142.2 Ų142.290%0.90481%0.808SS**  -162.2131125.3-89-67.7000109.6
127L49.2Very low42.4Very low162 Ų162142.5 Ų142.585%0.84881%0.809SS**PPolyproline II helixtrans-81.4159.9-171-59.9160.2000112.8
128P43.4Very low42.1Very low116 Ų116140.8 Ų140.875%0.75380%0.801SS**PPolyproline II helixtrans-97.9141.7153.934.7-26.7000111.3
129P55.6Low43.1Very low134 Ų134141.5 Ų141.587%0.8779%0.792SS**PPolyproline II helixtrans-85.4139173.332.2-29.6000112
130T42Very low43.3Very low135 Ų135141.6 Ų141.683%0.82879%0.788SS**PPolyproline II helixtrans-89.7158.6174.3-155.60000111.7
131S58.4Low43.3Very low101 Ų101145.7 Ų145.771%0.70680%0.798SS**PPolyproline II helixtrans-64160.517853.40000116.5
132A45.8Very low43.3Very low92 Ų92146.4 Ų146.476%0.7680%0.798SS**  166.4176.3122.800000111.5
133P53.9Low43Very low112 Ų112140.6 Ų140.673%0.72778%0.784SS**  -136.9166.1-59.939-22.9000115.5
134Y37.8Very low43.4Very low198 Ų198141.6 Ų141.678%0.77679%0.785SS**  trans43.7127.1151.2-85.6-84.4000123.7F136Y134-F136 HydrophobicContact CD1-CD2 4.29Å; Y134-F136 HydrophobicContact CE1-CD2 4.1Å; Y134-F136 HydrophobicContact CE1-CE2 4.17Å
135S40.8Very low43Very low128 Ų128135.5 Ų135.590%0.89578%0.779SS**  -155.6138.3126.1-78.60000111.5
136F43.6Very low42.5Very low176 Ų176136.6 Ų136.677%0.77279%0.788SS**  trans-84.2144.8-175.4-122-104.9000111Y134Y134-F136 HydrophobicContact CD1-CD2 4.29Å; Y134-F136 HydrophobicContact CE1-CD2 4.1Å; Y134-F136 HydrophobicContact CE1-CE2 4.17Å
137L40.2Very low42.4Very low170 Ų170134 Ų13489%0.8978%0.782SS**  168.9128.3128.9-84.7170.1000109.9
138D33.8Very low42Very low147 Ų147134.1 Ų134.179%0.78678%0.778SS**  trans-93.4-176.8173.6-164.433.1000108.9
139P53.7Low41.8Very low88 Ų88138.8 Ų138.857%0.57179%0.787SS**  cis-130.8-178.3-2214.312.3000114.1
140T38.2Very low40.8Very low120 Ų120140.5 Ų140.574%0.73679%0.785SS**  trans101.3136.715377.40000119.3
141Q33.8Very low40.7Very low173 Ų173139.8 Ų139.881%0.80878%0.781SS**  trans78.5117.3162.6-50.2-171.531.700117.5
142F34.9Very low39.4Very low185 Ų185143.9 Ų143.981%0.81179%0.789SS**  162.8147.682.6-169.6-107.8000110
143S33.6Very low38.8Very low88 Ų88146.6 Ų146.662%0.61579%0.786SS**  trans-66.1148.6-166.4-57.40000115.3S145S143-S145 PolarHBondContact O-N 3.26Å
144S43.4Very low37.9Very low127 Ų127150.2 Ų150.289%0.88880%0.795SS**  trans-70.9113.5159.1-690000110.3
145S34.8Very low38.3Very low110 Ų110144.8 Ų144.877%0.76978%0.784SS**  trans-178.7102151.650.60000111.2S143S143-S145 PolarHBondContact O-N 3.26Å
146A34.2Very low37.9Very low101 Ų101146.2 Ų146.284%0.83578%0.776SS**  trans-172.476.2156.300000113
147I39.9Very low37.3Very low150 Ų150143.8 Ų143.877%0.76978%0.776SS**  trans-150.8110.6151.8-63.9-163.9000102.8
148Q39.7Very low36.9Very low166 Ų166143 Ų14378%0.77677%0.772SS**  -165133.552.8-116.6141.84.300108.7
149K38.8Very low36.9Very low213 Ų213141 Ų14193%0.92677%0.77SS**  trans-102.6123.4152.2-92-177.8175-179.50106.7
150M35.3Very low35.8Very low170 Ų170143 Ų14384%0.83778%0.78SS**  trans-158125.7141.457-175.3175.800110.8
151T39.2Very low35.7Very low120 Ų120141.9 Ų141.974%0.73678%0.777SS**  trans-70.114517632.60000113.8
152Q32.9Very low35.8Very low187 Ų187139.9 Ų139.987%0.87478%0.777SS**  trans-169.1102.1132.4-130.9129.16.200110.3
153E32.5Very low36.4Very low150 Ų150138.6 Ų138.670%0.70178%0.778SS**  71.4108.694.2-65.2-59.9120.800115.7
154M34.3Very low37.3Very low187 Ų187139.7 Ų139.792%0.92178%0.783SS**  trans-150.3119.9156.3-83.8-62.9-102.500109.3
155P45.8Very low36.7Very low84 Ų84144.7 Ų144.755%0.54578%0.784SS.*  trans-108.3157.3168.322.3-3.3000112.6
156H32.5Very low36.8Very low158 Ų158142.9 Ų142.973%0.73178%0.776SS**  trans140.5112.7135.5-64.3-50.9000114.9
157T31.8Very low37Very low125 Ų125143.8 Ų143.877%0.76778%0.776SS**  trans80.1134.8140.174.70000116.7
158L32.9Very low37Very low154 Ų154142.5 Ų142.581%0.80678%0.78SS**  cis-151.414521-72168.3000111.3
159S32.1Very low37.2Very low106 Ų106143.2 Ų143.274%0.74179%0.789SS**  trans24.8129.5138.8-165.40000120.8
160T31Very low36.9Very low128 Ų128136.8 Ų136.879%0.78578%0.782SS**  -165.2134109.1-64.80000110.6
161S36.6Very low37.1Very low97 Ų97139.9 Ų139.968%0.67879%0.786SS**  trans-38.4152.7175.550.30000116.6
162T36.7Very low37Very low131 Ų131143.1 Ų143.180%0.80479%0.793SS**  -168.7135.364.1-55.50000110.9
163L45.8Very low37.3Very low158 Ų158142 Ų14283%0.82779%0.793SS**  trans-91.7-169.4172.1-66.8171.4000110.8
164P53.8Low37.3Very low112 Ų112138.6 Ų138.673%0.72780%0.798SS**  cis-136.2-167-14.4198.5000113.7
165Y31.1Very low37.5Very low232 Ų232134.4 Ų134.491%0.9179%0.793SS**  trans99.3131.1149.6-146.5-100.1000115.8
166A35.1Very low37.1Very low72 Ų72140.6 Ų140.660%0.59581%0.812SS**  cis-159.6159-8.500000108.9
167S39.7Very low37.1Very low119 Ų119136.6 Ų136.683%0.83281%0.813SS**  trans-64.4149.4176.4-43.40000114
168S39.5Very low37.4Very low124 Ų124136.8 Ų136.887%0.86782%0.815SS**  -175.7151.9121.853.40000112.6
169L43.8Very low37.8Very low181 Ų181138 Ų13895%0.94882%0.821SS**  trans-61.6147.6-179.1-70.7146.4000113.3
170G31.9Very low37.8Very low77 Ų77136.3 Ų136.379%0.79482%0.82SS**  trans-178.299.4164.600000113.4
171Y40.8Very low38Very low236 Ų236136.4 Ų136.493%0.92582%0.824SS**  trans-63136.5158.3-102.7-99.6000109.5
172Q36.1Very low38.4Very low188 Ų188137.7 Ų137.788%0.87983%0.83SS**  trans-173.6131.6142.4-93.8-107.12500111.6
173N39.1Very low38.8Very low164 Ų164135.7 Ų135.788%0.87782%0.822SS**  trans-66148.7166.9-89.7-40.4000110.9
174G32.3Very low38.8Very low77 Ų77136.7 Ų136.779%0.79482%0.822SS**  trans165.6112.1165.100000113.8
175A40Very low38.6Very low100 Ų100139.8 Ų139.883%0.82683%0.827SS**  trans-68133.7173.500000112.7
176F35.7Very low39.6Very low214 Ų214134.4 Ų134.494%0.93982%0.818SS**  trans167.3138.6131.1-120.8-100.1000109.2
177G32.8Very low40.7Very low73 Ų73136.5 Ų136.575%0.75382%0.815SS**  trans139.784163.200000115.7
178T39.6Very low41.8Very low130 Ų130134.4 Ų134.480%0.79880%0.797SS**  trans-62131.9172.1-21.70000112.6
179L39.9Very low42.7Very low180 Ų180134.1 Ų134.194%0.94278%0.782SS**  trans-141.498.9145.9-76.6-179.2000108.6
180G31.9Very low43.4Very low70 Ų70129.9 Ų129.972%0.72277%0.765SS**PPolyproline II helixtrans-78.7137.4179.400000112.4
181C36.3Very low44.2Very low129 Ų129128.1 Ų128.187%0.87274%0.741SS**PPolyproline II helixtrans-92.2134.5158-72.20000108.6
182P44.5Very low45.1Very low124 Ų124123.3 Ų123.381%0.80574%0.739SS**PPolyproline II helixtrans-86.8145-174.433.6-31.4000112.2
183S45.1Very low46.2Very low90 Ų90120.4 Ų120.463%0.62973%0.734SS**  trans79.978.2154.1-146.40000118.4H185S183-H185 PolarHBondContact OG-CD2 2.92Å; S183-H185 PolarHBondContact OG-NE2 3.35Å
184Q46.5Very low46.9Very low179 Ų179117.4 Ų117.484%0.83672%0.718SS**  trans-109.5114.2135.7-65.8-152.84.600107.7T186Q184-T186 PolarHBondContact O-N 3.24Å
185H50.1Low48.3Very low177 Ų177119.7 Ų119.782%0.81972%0.719SS**  trans-69.596.5171.8-73.8-84.7000108.5S183 H187S183-H185 PolarHBondContact OG-CD2 2.92Å; S183-H185 PolarHBondContact OG-NE2 3.35Å; H185-H187 PolarHBondContact O-N 3.31Å
186T50.9Low49.4Very low118 Ų118118.4 Ų118.472%0.72472%0.716SS**  trans-78.1115.7170.447.70000108.5Q184Q184-T186 PolarHBondContact O-N 3.24Å
187H58.6Low50.4Low117 Ų117116 Ų11654%0.54270%0.702SS.*  trans-94.3117.1174.4-163.4-72.4000109.2H185 H189H185-H187 PolarHBondContact O-N 3.31Å; H187-H189 AromaticContact CE1-CD2 3.42Å; H187-H189 PolarHBondContact CE1-CD2 3.11Å; H187-H189 VanDerWaalsContact CE1-CD2 3.42Å; H187-H189 AromaticContact CE1-CE1 3.44Å; H187-H189 PolarHBondContact CE1-CE1 2.93Å; H187-H189 VanDerWaalsContact CE1-CE1 3.44Å; H187-H189 AromaticContact CE1-NE2 3.01Å; H187-H189 PolarHBondContact CE1-NE2 2.9Å; H187-H189 AromaticContact ND1-CD2 3.31Å; H187-H189 PolarHBondContact ND1-CD2 3.23Å; H187-H189 VanDerWaalsContact ND1-CD2 3.31Å; H187-H189 AromaticContact ND1-NE2 3.37Å; H187-H189 PolarHBondContact ND1-NE2 3.19Å
188T62.3Low52.2Low74 Ų74117.1 Ų117.145%0.45469%0.693SS.*EExtended strand (participates in β ladder)trans-102.5137.6174.632.60000110.3V198T188-V198 HydrophobicContact CG2-CB 4.37Å
189H58.5Low53.5Low118 Ų118114.2 Ų114.255%0.54668%0.675SS.*EExtended strand (participates in β ladder)trans-121.2144.9171-86.4-74.4000110.2H187H187-H189 AromaticContact CE1-CD2 3.42Å; H187-H189 PolarHBondContact CE1-CD2 3.11Å; H187-H189 VanDerWaalsContact CE1-CD2 3.42Å; H187-H189 AromaticContact CE1-CE1 3.44Å; H187-H189 PolarHBondContact CE1-CE1 2.93Å; H187-H189 VanDerWaalsContact CE1-CE1 3.44Å; H187-H189 AromaticContact CE1-NE2 3.01Å; H187-H189 PolarHBondContact CE1-NE2 2.9Å; H187-H189 AromaticContact ND1-CD2 3.31Å; H187-H189 PolarHBondContact ND1-CD2 3.23Å; H187-H189 VanDerWaalsContact ND1-CD2 3.31Å; H187-H189 AromaticContact ND1-NE2 3.37Å; H187-H189 PolarHBondContact ND1-NE2 3.19Å
190P57.8Low54.5Low92 Ų92110.5 Ų110.560%0.59766%0.662SS**EExtended strand (participates in β ladder)trans-70136.2172.827.7-31.4000110.3
191S49.6Very low56.2Low40 Ų40110.6 Ų110.628%0.2865%0.651SS.*EExtended strand (participates in β ladder)trans-70131.8178.3-1680000110.5T193 N194S191-T193 PolarHBondContact O-N 2.86Å; S191-N194 PolarHBondContact O-N 3.45Å
192P60.1Low57.4Low135 Ų135111.9 Ų111.988%0.87765%0.649SS**THydrogen-bonded Turntrans-66.8-5.9-173.824-32.3000114.6
193T58.6Low57.9Low127 Ų127110.8 Ų110.878%0.77964%0.643SS**THydrogen-bonded Turntrans-114.7-6.517950.80000114S191S191-T193 PolarHBondContact O-N 2.86Å
194N53.5Low58.1Low101 Ų101112.5 Ų112.554%0.5465%0.65SS.*EExtended strand (participates in β ladder)trans-156.8104.9-179.6-140.3-27.8000112.1S191 G196 Y197S191-N194 PolarHBondContact O-N 3.45Å; N194-G196 PolarHBondContact O-N 2.84Å; N194-G196 VanDerWaalsContact O-N 3.13Å; N194-Y197 PolarHBondContact O-N 2.91Å
195P61.8Low58.2Low125 Ų125107.9 Ų107.981%0.81264%0.642SS**EExtended strand (participates in β ladder)trans-66.5-12.6-174.9-2031000115.3
196G62.6Low58Low74 Ų74111.8 Ų111.876%0.76365%0.65SS**EExtended strand (participates in β ladder)trans-91.6-2.1-177.900000115.2N194N194-G196 PolarHBondContact O-N 2.84Å; N194-G196 VanDerWaalsContact O-N 3.13Å
197Y58.1Low57.5Low164 Ų164111.3 Ų111.364%0.64365%0.651SS**EExtended strand (participates in β ladder)trans-125.3116.3-175-153.5-95.5000111.2N194 V199N194-Y197 PolarHBondContact O-N 2.91Å; Y197-V199 HydrophobicContact CD1-CG2 3.83Å; Y197-V199 HydrophobicContact CE1-CG2 4.1Å
198V70.6Confident56.8Low95 Ų95110.5 Ų110.558%0.57667%0.665SS**EExtended strand (participates in β ladder)trans-95.7126.9174.4-69.40000109.3T188T188-V198 HydrophobicContact CG2-CB 4.37Å
199V65.7Low55.8Low70 Ų70111.7 Ų111.742%0.42468%0.676SS.*EExtended strand (participates in β ladder)trans-105.2125.2178.8-177.70000108.6Y197 C201Y197-V199 HydrophobicContact CD1-CG2 3.83Å; Y197-V199 HydrophobicContact CE1-CG2 4.1Å; V199-C201 PolarHBondContact O-N 3.07Å
200P62.4Low55Low102 Ų102110.9 Ų110.966%0.66268%0.684SS**EExtended strand (participates in β ladder)trans-65.6123.6171.8-15.228.2000109.8
201C65.9Low54.4Low71 Ų71114.9 Ų114.948%0.4870%0.7SS.*  trans-89.1118.1169.4-100.40000109.2V199 C203V199-C201 PolarHBondContact O-N 3.07Å; C201-C203 PolarHBondContact O-N 2.96Å
202N61.5Low54.3Low157 Ų157120.4 Ų120.484%0.8472%0.721SS**  trans-82.268.2168.2-165.333.2000109.4T204N202-T204 PolarHBondContact O-N 3.41Å
203C55.4Low54Low100 Ų100118.8 Ų118.868%0.67671%0.71SS**  trans-82.6104.7167.4-59.30000106.5C201 A205C201-C203 PolarHBondContact O-N 2.96Å; C203-A205 PolarHBondContact O-N 3.02Å
204T50.4Low53.7Low126 Ų126118.7 Ų118.777%0.77371%0.712SS**  trans-55113167.9-34.70000107N202 W206N202-T204 PolarHBondContact O-N 3.41Å; T204-W206 PolarHBondContact O-N 3.48Å; T204-W206 VanDerWaalsContact O-N 3.07Å
205A47.8Very low53.8Low83 Ų83119 Ų11969%0.68672%0.717SS**  trans-50.9122.2173.600000107.4C203 S207C203-A205 PolarHBondContact O-N 3.02Å; A205-S207 PolarHBondContact O-N 3.01Å
206W45.2Very low53.3Low258 Ų258117.2 Ų117.298%0.97771%0.713SS**  trans-50.6114.1164.9-88.3-28.7000106.6T204 A208T204-W206 PolarHBondContact O-N 3.48Å; T204-W206 VanDerWaalsContact O-N 3.07Å; W206-A208 VanDerWaalsContact C-N 3.27Å; W206-A208 PolarHBondContact O-N 3.37Å
207S40.5Very low52.9Low108 Ų108123.2 Ų123.276%0.75571%0.714SS**  trans-61.898.6169.3-73.90000106.7A205 S209A205-S207 PolarHBondContact O-N 3.01Å; S207-S209 PolarHBondContact O-N 3.44Å
208A43.7Very low53.2Low101 Ų101122 Ų12284%0.83572%0.717SS**  trans-70.168.4160.800000107.9W206W206-A208 VanDerWaalsContact C-N 3.27Å; W206-A208 PolarHBondContact O-N 3.37Å
209S43.2Very low52.3Low98 Ų98125 Ų12569%0.68573%0.729SS**  trans-12875.2176.7-65.60000108.9S207S207-S209 PolarHBondContact O-N 3.44Å
210S41.7Very low51.8Low101 Ų101130.3 Ų130.371%0.70675%0.747SS**  trans-177.977.2136.540.10000108.1Q212S210-Q212 PolarHBondContact O-N 3.42Å
211L44.8Very low51.1Low177 Ų177131.6 Ų131.693%0.92776%0.755SS**  trans-53.698.2147.6-76.8158000106.6
212Q46.3Very low50.5Low156 Ų156131.5 Ų131.573%0.72977%0.766SS**PPolyproline II helixtrans-66.4125.2158.6-79.5-78.3-56.800106.3S210S210-Q212 PolarHBondContact O-N 3.42Å
213P55.6Low49.7Very low100 Ų100132.7 Ų132.765%0.64977%0.769SS**PPolyproline II helixtrans-62148.7169.627.6-32.1000108.8V215P213-V215 PolarHBondContact O-N 3.31Å
214P51.3Low49.6Very low125 Ų125134 Ų13481%0.81277%0.774SS**PPolyproline II helixtrans-60.5126.2173.826.1-32.2000108.7A216P214-A216 PolarHBondContact O-N 3.34Å
215V56.3Low49.6Very low108 Ų108137.6 Ų137.666%0.65578%0.779SS**  trans-57.6104.7170.3177.90000107.4P213 Y217P213-V215 PolarHBondContact O-N 3.31Å; V215-Y217 HydrophobicContact CG1-CD2 4.34Å; V215-Y217 HydrophobicContact CG1-CE2 4.18Å; V215-Y217 PolarHBondContact O-N 2.98Å; V215-Y217 VanDerWaalsContact O-N 3.11Å
216A51.5Low49.5Very low87 Ų87139.8 Ų139.872%0.71978%0.784SS**  trans-67.5105.8170.600000107.9P214 I218P214-A216 PolarHBondContact O-N 3.34Å; A216-I218 PolarHBondContact O-N 3.18Å
217Y53.2Low49.5Very low201 Ų201130.6 Ų130.679%0.78877%0.769SS**  trans-72109168.5-81.6-91.3000108.5V215 L219V215-Y217 HydrophobicContact CG1-CD2 4.34Å; V215-Y217 HydrophobicContact CG1-CE2 4.18Å; V215-Y217 PolarHBondContact O-N 2.98Å; V215-Y217 VanDerWaalsContact O-N 3.11Å; Y217-L219 PolarHBondContact O-N 3.41Å
218I63.7Low49.9Very low137 Ų137133.8 Ų133.870%0.70378%0.776SS**  trans-75.4103.6163.5-61.9174.7000106.5A216 F220A216-I218 PolarHBondContact O-N 3.18Å; I218-F220 HydrophobicContact CG2-CD2 4.47Å; I218-F220 HydrophobicContact CG2-CE2 4.19Å; I218-F220 HydrophobicContact CG2-CZ 4.33Å; I218-F220 PolarHBondContact O-N 3.46Å
219L53.5Low49.9Very low158 Ų158136 Ų13683%0.82777%0.774SS**  trans-77.2105.7172.9-153.278.6000108Y217 P221Y217-L219 PolarHBondContact O-N 3.41Å; L219-P221 WeakPolarHBondContact O-CD 3.38Å
220F54.1Low50.3Low182 Ų182137 Ų13780%0.79878%0.778SS**  trans-73.5121.5167.4-74-81000109.1I218I218-F220 HydrophobicContact CG2-CD2 4.47Å; I218-F220 HydrophobicContact CG2-CE2 4.19Å; I218-F220 HydrophobicContact CG2-CZ 4.33Å; I218-F220 PolarHBondContact O-N 3.46Å
221P48.6Very low50.1Low130 Ų130143.2 Ų143.284%0.84479%0.788SS**  trans-76.9125.3171.9-5.422.9000109.3L219L219-P221 WeakPolarHBondContact O-CD 3.38Å
222G53.3Low50Low69 Ų69138.8 Ų138.871%0.71177%0.772SS**  trans122.145.6159.400000118.3
223M44.3Very low50Low182 Ų182137.1 Ų137.190%0.89778%0.777SS**  trans-116.182.2157.2-71.2-1737100110.5K225M223-K225 PolarHBondContact O-N 2.98Å
224T53.3Low49.4Very low126 Ų126136.3 Ų136.377%0.77378%0.779SS**  trans-64.7111.3159.250.50000108.7
225K49.6Very low49.1Very low202 Ų202138.8 Ų138.888%0.87878%0.779SS**  trans-114.890.2153.1-95.7-169.8174.3-178.40108.8M223M223-K225 PolarHBondContact O-N 2.98Å
226T45.7Very low48.4Very low130 Ų130138.7 Ų138.780%0.79879%0.79SS**  trans-68.6134.3157.245.20000110
227G45Very low48.3Very low65 Ų65141 Ų14167%0.6780%0.795SS**  trans77.9115.9142.300000117.9
228I48.6Very low47.7Very low175 Ų175135.6 Ų135.690%0.89779%0.792SS**  -174.5126.7107.9-89.3152.4000108.3
229D45.1Very low46.8Very low148 Ų148141.8 Ų141.879%0.79182%0.821SS**  trans-73-155.1-177.1-58-63.1000113.2
230P50.5Low46.5Very low119 Ų119141 Ų14177%0.77382%0.821SS**  -121.7147.8-88.335.3-18.3000111.7
231Y37.2Very low46.1Very low231 Ų231138.8 Ų138.891%0.90682%0.822SS**  trans-118.4102172.2-151.2-99000112.7
232S44.7Very low45.9Very low84 Ų84139.3 Ų139.359%0.58782%0.821SS**  trans62.483.6135.7-153.70000119.4A234S232-A234 PolarHBondContact O-N 3.41Å
233S45Very low45.5Very low121 Ų121143.4 Ų143.485%0.84683%0.827SS**  trans-81.893.3151.4153.90000109.1
234A43.7Very low45.6Very low82 Ų82141 Ų14168%0.67882%0.823SS**  trans-103.392.8164.400000108.9S232S232-A234 PolarHBondContact O-N 3.41Å
235H45.3Very low45.1Very low177 Ų177142 Ų14282%0.81983%0.826SS**  trans-119103.5155.8-92.5-79000107.7T237H235-T237 PolarHBondContact O-N 3.13Å
236A40.9Very low44.8Very low106 Ų106137.7 Ų137.788%0.87682%0.822SS**PPolyproline II helixtrans-68.2116.816600000108.7
237T50.3Low44.7Very low135 Ų135138.3 Ų138.383%0.82882%0.824SS**PPolyproline II helixtrans-98.3118.3165.9-63.40000107.8H235H235-T237 PolarHBondContact O-N 3.13Å
238A40.3Very low44.7Very low88 Ų88144.4 Ų144.473%0.72784%0.837SS**PPolyproline II helixtrans-69.3138.1164.900000110.5
239M44.4Very low44.3Very low267 Ų267141.6 Ų141.6100%1.31583%0.832SS**  trans150.60140-77.3-147.7-179.400110.2

Retrieved 239 of 239 residues in 317 ms (Link to these results)

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