A0A087Y812_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087Y812, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 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
1M39.5Very low51.7Low241 Ų241114.9 Ų114.9100%1.18770%0.704SS**  01160-58.5-49.5-174.900106.5
2A43.5Very low53.7Low105 Ų105107 Ų10787%0.86865%0.653SS**  trans-86.1126.1170.100000107A4A2-A4 PolarHBondContact O-N 2.88Å
3E41.5Very low55.5Low194 Ų194103.5 Ų103.591%0.90762%0.623SS**  trans-66.3124.9179.5-159.3129.9113.500109A5E3-A5 PolarHBondContact O-N 2.72Å; E3-A5 VanDerWaalsContact O-N 3.07Å
4A41.2Very low57Low93 Ų9396.1 Ų96.177%0.76958%0.579SS**  trans-70.9106175.200000108A2 A6A2-A4 PolarHBondContact O-N 2.88Å; A4-A6 PolarHBondContact O-N 2.97Å
5A46.4Very low58Low94 Ų9496.3 Ų96.378%0.77757%0.571SS**  trans-57.1109.9170.200000108.3E3 V7E3-A5 PolarHBondContact O-N 2.72Å; E3-A5 VanDerWaalsContact O-N 3.07Å; A5-V7 PolarHBondContact O-N 3.07Å; A5-V7 VanDerWaalsContact O-N 3.16Å
6A51.8Low58.7Low94 Ų9493.2 Ų93.278%0.77756%0.555SS**PPolyproline II helixtrans-61.9119.1176.300000108.1A4A4-A6 PolarHBondContact O-N 2.97Å
7V54.8Low59.1Low111 Ų11189.1 Ų89.167%0.67353%0.532SS*.PPolyproline II helixtrans-59.3126.2172.7178.50000107.1A5A5-V7 PolarHBondContact O-N 3.07Å; A5-V7 VanDerWaalsContact O-N 3.16Å
8P56Low59.8Low86 Ų8690.9 Ų90.956%0.55853%0.532SS*.PPolyproline II helixtrans-59.6143.7-178.924.1-33.4000110.2H10P8-H10 PolarHBondContact O-N 3.36Å
9P60.3Low60.3Low92 Ų9287.4 Ų87.460%0.59752%0.517SS*.  trans-68.6106177.528.6-32.5000108.8R11P9-R11 VanDerWaalsContact C-N 3.35Å; P9-R11 PolarHBondContact O-N 3.02Å
10H62.6Low60.9Low65 Ų6590.5 Ų90.530%0.30153%0.526SS..  trans-58.399.7170.5-53.2-94.6000108.6P8 F12 K24 E40P8-H10 PolarHBondContact O-N 3.36Å; H10-F12 HydrophobicContact CB-CD2 4.46Å; H10-F12 HydrophobicContact CB-CE2 3.76Å; H10-F12 HydrophobicContact CB-CZ 4.02Å; H10-F12 WeakPolarHBondContact O-CD2 3.16Å; H10-K24 WeakPolarHBondContact CD2-CE 3.48Å; H10-K24 PolarHBondContact CD2-NZ 3.29Å; H10-K24 PolarHBondContact NE2-NZ 2.97Å; H10-E40 IonicContact CE1-OE1 2.71Å; H10-E40 IonicContact CG-OE1 3.44Å; H10-E40 IonicContact ND1-OE1 3.73Å; H10-E40 PolarHBondContact ND1-OE1 3.28Å
11R71.3Confident61.3Low89 Ų8986.9 Ų86.934%0.33651%0.505SS..EExtended strand (participates in β ladder)trans-90.7141.9173.264-179.371.5177.41.2108P9 V41 E43P9-R11 VanDerWaalsContact C-N 3.35Å; P9-R11 PolarHBondContact O-N 3.02Å; R11-V41 HydrophobicContact CG-CB 4.03Å; R11-V41 WeakPolarHBondContact CG-O 3.23Å; R11-V41 PolarHBondContact O-N 3.06Å; R11-E43 VanDerWaalsContact CZ-CD 3.48Å; R11-E43 IonicContact CZ-OE1 3.74Å; R11-E43 IonicContact CZ-OE2 3.6Å; R11-E43 IonicContact NH1-OE1 3.49Å; R11-E43 IonicContact NH2-OE1 2.88Å; R11-E43 PolarHBondContact NH2-OE1 3.4Å; R11-E43 IonicContact NH2-OE2 3.5Å; R11-E43 PolarHBondContact NH2-OE2 3.09Å
12F75.5Confident62.3Low20 Ų2082 Ų829%0.08848%0.484CS..EExtended strand (participates in β ladder)trans-129.3123.8-164.9-83.6-59.3000107.3H10 E20 V21 K24 Y28 I38 E39 E40H10-F12 HydrophobicContact CB-CD2 4.46Å; H10-F12 HydrophobicContact CB-CE2 3.76Å; H10-F12 HydrophobicContact CB-CZ 4.02Å; H10-F12 WeakPolarHBondContact O-CD2 3.16Å; F12-E20 CarbonylContact O-C 3.6Å; F12-E20 WeakPolarHBondContact O-CA 3.36Å; F12-V21 WeakPolarHBondContact CB-O 3.44Å; F12-V21 PolarHBondContact O-N 3.32Å; F12-K24 HydrophobicContact CE2-CG 4.31Å; F12-Y28 HydrophobicContact CE1-CD1 4.41Å; F12-Y28 HydrophobicContact CE1-CE1 4.15Å; F12-I38 HydrophobicContact CB-CG2 3.37Å; F12-I38 HydrophobicContact CD1-CG2 3.48Å; F12-I38 VanDerWaalsContact CD1-CG2 3.48Å; F12-I38 HydrophobicContact CG-CG2 3.74Å; F12-E39 CarbonylContact C-O 3.27Å; F12-E39 WeakPolarHBondContact CA-O 3.23Å; F12-E40 HydrophobicContact CD1-CB 4.22Å; F12-E40 HydrophobicContact CE1-CB 3.88Å; F12-E40 HydrophobicContact CE1-CG 4.19Å
13F76.9Confident63.5Low61 Ų6180.8 Ų80.827%0.26847%0.467SS..EExtended strand (participates in β ladder)trans-110.9132.5-177.6-170.8-96.5000110.5H15 K18 E20 I38 E39 V41F13-H15 AromaticContact CD1-CE1 3.92Å; F13-H15 AromaticContact CD1-ND1 3.85Å; F13-H15 AromaticContact CE1-ND1 3.74Å; F13-K18 VanDerWaalsContact CZ-C 3.4Å; F13-E20 HydrophobicContact CD2-CG 4.42Å; F13-I38 WeakPolarHBondContact O-CA 3.36Å; F13-E39 PolarHBondContact N-O 3.34Å; F13-E39 PolarHBondContact O-N 3.04Å; F13-V41 HydrophobicContact CB-CG2 3.95Å
14C77.4Confident64.3Low0 Ų078.6 Ų78.60%045%0.454CS..EExtended strand (participates in β ladder)trans-101.8117.2173.1-178.70000110C16 C17 K18 G19 V21 C30C14-C16 VanDerWaalsContact C-N 3.34Å; C14-C16 PolarHBondContact O-N 3.09Å; C14-C17 HydrophobicContact CB-CB 4.19Å; C14-C17 PolarHBondContact O-N 3.27Å; C14-K18 WeakPolarHBondContact O-CA 3.5Å; C14-K18 PolarHBondContact O-N 2.92Å; C14-G19 PolarHBondContact N-O 3.26Å; C14-G19 PolarHBondContact O-N 2.95Å; C14-V21 HydrophobicContact CB-CG2 3.77Å; C14-C30 HydrophobicContact CB-CB 4.02Å; C14-C30 WeakPolarHBondContact SG-CB 3.39Å
15H71.9Confident65.1Low99 Ų9978.5 Ų78.546%0.45844%0.44SS..THydrogen-bonded Turntrans-65.7-33.3178.1-70.1-68000113.1F13 E39F13-H15 AromaticContact CD1-CE1 3.92Å; F13-H15 AromaticContact CD1-ND1 3.85Å; F13-H15 AromaticContact CE1-ND1 3.74Å; H15-E39 IonicContact CD2-OE2 3.65Å; H15-E39 IonicContact CE1-OE2 3.81Å; H15-E39 IonicContact NE2-OE2 2.72Å; H15-E39 PolarHBondContact NE2-OE2 3.24Å
16C67.9Low65.7Low47 Ų4779.7 Ų79.732%0.31844%0.44SS..THydrogen-bonded Turntrans-70.8-35.6176.8-580000113C14 C239 C240C14-C16 VanDerWaalsContact C-N 3.34Å; C14-C16 PolarHBondContact O-N 3.09Å; C16-C239 CarbonylContact O-C 3.51Å; C16-C239 VanDerWaalsContact O-C 3.27Å; C16-C240 WeakPolarHBondContact O-CB 3.44Å; C16-C240 PolarHBondContact O-SG 2.73Å
17C66.8Low66Low24 Ų2482.1 Ų82.116%0.16244%0.436CS..THydrogen-bonded Turntrans-952.5178.4-61.10000113.4C14 G19 C33C14-C17 HydrophobicContact CB-CB 4.19Å; C14-C17 PolarHBondContact O-N 3.27Å; C17-G19 PolarHBondContact O-N 2.96Å; C17-C33 VanDerWaalsContact SG-SG 3.62Å
18K70.7Confident66.6Low121 Ų12183 Ų8353%0.52643%0.428SS..THydrogen-bonded Turntrans42.441.1-174.6-63173.9-174.7158.20112.7F13 C14 C240 D249F13-K18 VanDerWaalsContact CZ-C 3.4Å; C14-K18 WeakPolarHBondContact O-CA 3.5Å; C14-K18 PolarHBondContact O-N 2.92Å; K18-C240 HydrophobicContact CD-CB 4.49Å; K18-C240 WeakPolarHBondContact CD-SG 3.45Å; K18-C240 WeakPolarHBondContact CE-SG 3.45Å; K18-D249 IonicContact NZ-OD1 3.61Å; K18-D249 IonicContact NZ-OD2 2.74Å
19G68.8Low67.3Low24 Ų2482.1 Ų82.125%0.24742%0.418CS..EExtended strand (participates in β ladder)trans-156.5158.5-168.200000115.7C14 C17C14-G19 PolarHBondContact N-O 3.26Å; C14-G19 PolarHBondContact O-N 2.95Å; C17-G19 PolarHBondContact O-N 2.96Å
20E72.5Confident68Low149 Ų14977.7 Ų77.770%0.69639%0.389SS*.EExtended strand (participates in β ladder)trans-72.7138.7176.6-64.3-174.8174.600112F12 F13F12-E20 CarbonylContact O-C 3.6Å; F12-E20 WeakPolarHBondContact O-CA 3.36Å; F13-E20 HydrophobicContact CD2-CG 4.42Å
21V69.8Low68.3Low16 Ų1678 Ų7810%0.09740%0.397CS..EExtended strand (participates in β ladder)trans-122.5143.5-177.8178.50000108.9F12 C14 P31 I38F12-V21 WeakPolarHBondContact CB-O 3.44Å; F12-V21 PolarHBondContact O-N 3.32Å; C14-V21 HydrophobicContact CB-CG2 3.77Å; V21-P31 VanDerWaalsContact CG1-CD 3.43Å; V21-P31 HydrophobicContact CG1-CG 3.94Å; V21-I38 HydrophobicContact CB-CD1 4.48Å; V21-I38 HydrophobicContact CG1-CD1 3.96Å
22N59.7Low68.1Low138 Ų13883.5 Ų83.574%0.73842%0.418SS*.  trans-153.8122.3177.1-170.68.6000106.1
23P69.2Low67.7Low79 Ų7983.4 Ų83.451%0.51342%0.419SS..SBendcis-134.7-168.135.641.7-23.5000115.7L25P23-L25 PolarHBondContact O-N 3.12Å
24K58.1Low67Low148 Ų14886.7 Ų86.764%0.64344%0.44SS*.  trans-56.197176.7-66.5-173.6174.7-168.10112.9H10 F12H10-K24 WeakPolarHBondContact CD2-CE 3.48Å; H10-K24 PolarHBondContact CD2-NZ 3.29Å; H10-K24 PolarHBondContact NE2-NZ 2.97Å; F12-K24 HydrophobicContact CE2-CG 4.31Å
25L58.1Low66.2Low91 Ų9191.3 Ų91.348%0.47647%0.472SS..  trans-99.4146.4164.6-67.1174.9000110P23 E27P23-L25 PolarHBondContact O-N 3.12Å; L25-E27 PolarHBondContact O-N 3.05Å; L25-E27 VanDerWaalsContact O-N 3.13Å
26P59.2Low65.6Low119 Ų11986.6 Ų86.677%0.77345%0.451SS*.THydrogen-bonded Turntrans-68.6-10.3-173.125.1-32.7000115.2
27E58.4Low65.2Low146 Ų14691.4 Ų91.468%0.68247%0.466SS*.THydrogen-bonded Turntrans-115.40.4-167.9-62-177.316600114.6L25 I29L25-E27 PolarHBondContact O-N 3.05Å; L25-E27 VanDerWaalsContact O-N 3.13Å; E27-I29 HydrophobicContact CB-CD1 3.88Å; E27-I29 HydrophobicContact CB-CG1 4.2Å; E27-I29 PolarHBondContact O-N 3.32Å
28Y68.1Low65.3Low129 Ų12990.8 Ų90.851%0.50646%0.461SS..  trans56.629-178.8-62.6-96.3000115.3F12 I38F12-Y28 HydrophobicContact CE1-CD1 4.41Å; F12-Y28 HydrophobicContact CE1-CE1 4.15Å; Y28-I38 WeakPolarHBondContact O-CG1 3.42Å; Y28-I38 PolarHBondContact O-N 2.87Å
29I70.6Confident65.4Low67 Ų6789.5 Ų89.534%0.34446%0.457SS..BIsolated β-bridgetrans-98.5133.4179-62.3166000110.4E27 I38E27-I29 HydrophobicContact CB-CD1 3.88Å; E27-I29 HydrophobicContact CB-CG1 4.2Å; E27-I29 PolarHBondContact O-N 3.32Å; I29-I38 WeakPolarHBondContact O-CD1 3.45Å
30C73.6Confident65.5Low0 Ų092.2 Ų92.20%046%0.463CS..  trans-69.1122.1176.3-178.50000112.7C14 R32 C33 D34 G36 I38C14-C30 HydrophobicContact CB-CB 4.02Å; C14-C30 WeakPolarHBondContact SG-CB 3.39Å; C30-R32 PolarHBondContact O-N 2.76Å; C30-C33 PolarHBondContact O-N 2.98Å; C30-D34 WeakPolarHBondContact O-CA 3.03Å; C30-D34 PolarHBondContact O-N 3.16Å; C30-G36 WeakPolarHBondContact CB-O 3.43Å; C30-G36 PolarHBondContact N-O 2.98Å; C30-G36 VanDerWaalsContact N-O 3.14Å; C30-I38 HydrophobicContact CB-CD1 4.49Å; C30-I38 HydrophobicContact CB-CG1 4.17Å
31P70.8Confident65.3Low72 Ų7287.8 Ų87.847%0.46845%0.446SS..THydrogen-bonded Turntrans-76.312.6-179.336.1-38.4000113.8V21V21-P31 VanDerWaalsContact CG1-CD 3.43Å; V21-P31 HydrophobicContact CG1-CG 3.94Å
32R65.8Low64.8Low203 Ų20390.3 Ų90.377%0.76646%0.462SS*.THydrogen-bonded Turntrans-110.8-20.1173.8-75.5-169.1172.6-162.9-0.4113.9C30C30-R32 PolarHBondContact O-N 2.76Å
33C66.5Low64.7Low18 Ų1889 Ų8912%0.12245%0.451CS..THydrogen-bonded Turntrans-138.1-2.5-178.164.20000114.2C17 C30 S35 G36C17-C33 VanDerWaalsContact SG-SG 3.62Å; C30-C33 PolarHBondContact O-N 2.98Å; C33-S35 WeakPolarHBondContact O-CB 3.06Å; C33-S35 PolarHBondContact O-N 3.03Å; C33-S35 PolarHBondContact O-OG 2.84Å; C33-G36 PolarHBondContact SG-N 3.01Å
34D63.2Low63.5Low130 Ų13090.8 Ų90.870%0.69546%0.457SS*.SBendtrans52.410.3177.4-61.7-21.3000116.3C30C30-D34 WeakPolarHBondContact O-CA 3.03Å; C30-D34 PolarHBondContact O-N 3.16Å
35S59.5Low62.9Low97 Ų9788.4 Ų88.468%0.67846%0.458SS*.SBendtrans-142.7-17-169.954.20000113.7C33 F37C33-S35 WeakPolarHBondContact O-CB 3.06Å; C33-S35 PolarHBondContact O-N 3.03Å; C33-S35 PolarHBondContact O-OG 2.84Å; S35-F37 PolarHBondContact O-N 3.49Å
36G59.6Low62.3Low1 Ų189 Ų891%0.0147%0.47CS..PPolyproline II helixtrans-81.3116.6178.800000112.4C30 C33 I38C30-G36 WeakPolarHBondContact CB-O 3.43Å; C30-G36 PolarHBondContact N-O 2.98Å; C30-G36 VanDerWaalsContact N-O 3.14Å; C33-G36 PolarHBondContact SG-N 3.01Å; G36-I38 PolarHBondContact O-N 3.03Å
37F60.5Low61.6Low148 Ų14890.9 Ų90.965%0.64947%0.473SS*.BIsolated β-bridgetrans-52.8132.4162.7173.4-95.3000110S35 E39S35-F37 PolarHBondContact O-N 3.49Å; F37-E39 HydrophobicContact CE1-CB 4.27Å
38I69.2Low61.3Low11 Ų1190.9 Ų90.96%0.05648%0.477CS..EExtended strand (participates in β ladder)trans-99.4125.9177.1-59.4179.2000109.6F12 F13 V21 Y28 I29 C30 G36F12-I38 HydrophobicContact CB-CG2 3.37Å; F12-I38 HydrophobicContact CD1-CG2 3.48Å; F12-I38 VanDerWaalsContact CD1-CG2 3.48Å; F12-I38 HydrophobicContact CG-CG2 3.74Å; F13-I38 WeakPolarHBondContact O-CA 3.36Å; V21-I38 HydrophobicContact CB-CD1 4.48Å; V21-I38 HydrophobicContact CG1-CD1 3.96Å; Y28-I38 WeakPolarHBondContact O-CG1 3.42Å; Y28-I38 PolarHBondContact O-N 2.87Å; I29-I38 WeakPolarHBondContact O-CD1 3.45Å; C30-I38 HydrophobicContact CB-CD1 4.49Å; C30-I38 HydrophobicContact CB-CG1 4.17Å; G36-I38 PolarHBondContact O-N 3.03Å
39E71.3Confident60.5Low93 Ų9394.7 Ų94.744%0.43550%0.499SS..EExtended strand (participates in β ladder)trans-92.5137.9171.7-170.8169.1-173.200111.3F12 F13 H15 F37F12-E39 CarbonylContact C-O 3.27Å; F12-E39 WeakPolarHBondContact CA-O 3.23Å; F13-E39 PolarHBondContact N-O 3.34Å; F13-E39 PolarHBondContact O-N 3.04Å; H15-E39 IonicContact CD2-OE2 3.65Å; H15-E39 IonicContact CE1-OE2 3.81Å; H15-E39 IonicContact NE2-OE2 2.72Å; H15-E39 PolarHBondContact NE2-OE2 3.24Å; F37-E39 HydrophobicContact CE1-CB 4.27Å
40E72.3Confident59.3Low81 Ų8195.2 Ų95.238%0.37952%0.521SS..EExtended strand (participates in β ladder)trans-82115.1171.8-177175.5179.200109.4H10 F12 T42H10-E40 IonicContact CE1-OE1 2.71Å; H10-E40 IonicContact CG-OE1 3.44Å; H10-E40 IonicContact ND1-OE1 3.73Å; H10-E40 PolarHBondContact ND1-OE1 3.28Å; F12-E40 HydrophobicContact CD1-CB 4.22Å; F12-E40 HydrophobicContact CE1-CB 3.88Å; F12-E40 HydrophobicContact CE1-CG 4.19Å; E40-T42 HydrophobicContact CG-CG2 4.44Å; E40-T42 PolarHBondContact O-N 3.26Å
41V67.4Low57.4Low57 Ų5798.6 Ų98.635%0.34556%0.556SS.*EExtended strand (participates in β ladder)trans-96.795.1177.6-176.20000108.7R11 F13R11-V41 HydrophobicContact CG-CB 4.03Å; R11-V41 WeakPolarHBondContact CG-O 3.23Å; R11-V41 PolarHBondContact O-N 3.06Å; F13-V41 HydrophobicContact CB-CG2 3.95Å
42T59.1Low56.1Low68 Ų6899.8 Ų99.842%0.41757%0.572SS.*  trans-69.1147.6168.1530000110.2E40 D44E40-T42 HydrophobicContact CG-CG2 4.44Å; E40-T42 PolarHBondContact O-N 3.26Å; T42-D44 VanDerWaalsContact CB-OD2 3.25Å; T42-D44 WeakPolarHBondContact CB-OD2 3.32Å; T42-D44 PolarHBondContact O-N 3.37Å; T42-D44 VanDerWaalsContact OG1-CG 3.28Å; T42-D44 PolarHBondContact OG1-OD2 2.98Å
43E57.5Low55.1Low111 Ų11198.1 Ų98.152%0.51958%0.579SS.*SBendtrans-77.330.7-173.2-60.2-17071.900113.8R11 S45R11-E43 VanDerWaalsContact CZ-CD 3.48Å; R11-E43 IonicContact CZ-OE1 3.74Å; R11-E43 IonicContact CZ-OE2 3.6Å; R11-E43 IonicContact NH1-OE1 3.49Å; R11-E43 IonicContact NH2-OE1 2.88Å; R11-E43 PolarHBondContact NH2-OE1 3.4Å; R11-E43 IonicContact NH2-OE2 3.5Å; R11-E43 PolarHBondContact NH2-OE2 3.09Å; E43-S45 VanDerWaalsContact C-N 3.34Å; E43-S45 PolarHBondContact O-N 3.13Å
44D44.8Very low54.1Low117 Ų117100.5 Ų100.563%0.62661%0.606SS**  trans-901.3-170.1-39-29.8000112.4T42 S46T42-D44 VanDerWaalsContact CB-OD2 3.25Å; T42-D44 WeakPolarHBondContact CB-OD2 3.32Å; T42-D44 PolarHBondContact O-N 3.37Å; T42-D44 VanDerWaalsContact OG1-CG 3.28Å; T42-D44 PolarHBondContact OG1-OD2 2.98Å; D44-S46 PolarHBondContact O-N 3.42Å
45S46.4Very low53.4Low97 Ų97102 Ų10268%0.67861%0.613SS**G310 helixtrans-71.36-176.3-50.10000115E43 L47E43-S45 VanDerWaalsContact C-N 3.34Å; E43-S45 PolarHBondContact O-N 3.13Å; S45-L47 VanDerWaalsContact C-N 3.3Å; S45-L47 PolarHBondContact O-N 3.16Å
46S45.1Very low52.6Low104 Ų104103 Ų10373%0.72761%0.611SS**G310 helixtrans-83.510.9-177.257.90000115.3D44D44-S46 PolarHBondContact O-N 3.42Å
47L44.8Very low52Low159 Ų159109 Ų10983%0.83264%0.643SS**G310 helixtrans-120.518.7-178.1-86.3-175.4000116.6S45S45-L47 VanDerWaalsContact C-N 3.3Å; S45-L47 PolarHBondContact O-N 3.16Å
48L51.3Low51.4Low146 Ų146106.9 Ų106.976%0.76464%0.642SS**  trans-140.440.3169.842.5153.4000115.1G50L48-G50 PolarHBondContact O-N 3.45Å
49E51.8Low50.3Low208 Ų208110 Ų11097%0.97267%0.67SS**  trans-72.580.5148.5-77.2-160.3103.300109.6
50G45.6Very low49.3Very low78 Ų78109.3 Ų109.380%0.80467%0.672SS**SBendtrans174.342.8-176.100000116.5L48L48-G50 PolarHBondContact O-N 3.45Å
51G33.3Very low47.9Very low72 Ų72112.1 Ų112.174%0.74269%0.685SS**  trans-17422.4-176.300000118.2N53G51-N53 PolarHBondContact O-N 3.22Å
52A43.5Very low46.7Very low97 Ų97116.3 Ų116.380%0.80270%0.699SS**  trans-69.2102.5171.400000110
53N44.7Very low46Very low168 Ų168115.2 Ų115.290%0.89870%0.697SS**SBendtrans178.7110.4150.4-87.9-31.6000110.8G51G51-N53 PolarHBondContact O-N 3.22Å
54G45.3Very low45.1Very low68 Ų68116 Ų11670%0.70170%0.701SS**  trans9586.9159.100000117.4
55L49.5Very low45.2Very low160 Ų160115 Ų11584%0.83870%0.695SS**  trans-158.159.2150.7-159.277.5000112
56D42.6Very low45.2Very low120 Ų120117.9 Ų117.964%0.64269%0.691SS**  trans-118.325.7179.551.6-61.3000113.5
57D45.5Very low45.3Very low126 Ų126118.1 Ų118.167%0.67468%0.68SS**SBendtrans-109.1-0.4-173.1-89.3-50.8000116.1
58T48.4Very low45.3Very low104 Ų104115.1 Ų115.164%0.63867%0.665SS**SBendtrans-104-24.4-179.552.10000114.6
59A46.6Very low45Very low77 Ų77114.9 Ų114.964%0.63666%0.663SS**SBendtrans-78.5-37.9176.900000112.3F62 A63A59-F62 PolarHBondContact O-N 2.99Å; A59-A63 PolarHBondContact O-N 3.16Å
60T49.5Very low45Very low78 Ų78109.7 Ų109.748%0.47964%0.642SS.*Hα-helixtrans-66.2-38.5179.147.30000112.5F62 A63 E64T60-F62 VanDerWaalsContact C-N 3.27Å; T60-F62 PolarHBondContact O-N 2.94Å; T60-A63 PolarHBondContact O-N 3.23Å; T60-A63 VanDerWaalsContact O-N 3.1Å; T60-E64 PolarHBondContact O-N 3.3Å
61Q44.1Very low45.1Very low140 Ų140112.1 Ų112.165%0.65464%0.636SS**Hα-helixtrans-67.9-23.7-179-168.7152.797.900113.8L65Q61-L65 WeakPolarHBondContact O-CG 3.12Å
62F40.7Very low45.2Very low144 Ų144115.8 Ų115.863%0.63263%0.634SS**Hα-helixtrans-82.2-33169.2-90.9-90.3000112.7A59 T60 L65 W66A59-F62 PolarHBondContact O-N 2.99Å; T60-F62 VanDerWaalsContact C-N 3.27Å; T60-F62 PolarHBondContact O-N 2.94Å; F62-L65 PolarHBondContact O-N 3.36Å; F62-W66 PolarHBondContact O-N 3.02Å
63A45Very low44.9Very low46 Ų46122.3 Ų122.338%0.3864%0.637SS.*Hα-helixtrans-64.9-45.7176.700000112.1A59 T60 L65 W66 H67A59-A63 PolarHBondContact O-N 3.16Å; T60-A63 PolarHBondContact O-N 3.23Å; T60-A63 VanDerWaalsContact O-N 3.1Å; A63-L65 VanDerWaalsContact C-N 3.31Å; A63-L65 PolarHBondContact O-N 3.36Å; A63-W66 PolarHBondContact O-N 3.38Å; A63-W66 VanDerWaalsContact O-N 3.15Å; A63-H67 PolarHBondContact O-CD2 3.2Å; A63-H67 VanDerWaalsContact O-CD2 3.29Å; A63-H67 PolarHBondContact O-N 2.74Å
64E37.7Very low44.3Very low127 Ų127120 Ų12059%0.59363%0.631SS**Hα-helixtrans-54.7-43.6176.1-76.2-81122.600112.5T60 W66 H67 L68T60-E64 PolarHBondContact O-N 3.3Å; E64-W66 VanDerWaalsContact C-N 3.34Å; E64-W66 PolarHBondContact O-N 3.46Å; E64-H67 PolarHBondContact O-N 2.9Å; E64-L68 WeakPolarHBondContact O-CG 3Å; E64-L68 PolarHBondContact O-N 3.22Å
65L47.1Very low43.6Very low97 Ų97125.2 Ų125.251%0.50864%0.635SS.*Hα-helixtrans-68-31-179.9-69.4173.2000113Q61 F62 A63 L69Q61-L65 WeakPolarHBondContact O-CG 3.12Å; F62-L65 PolarHBondContact O-N 3.36Å; A63-L65 VanDerWaalsContact C-N 3.31Å; A63-L65 PolarHBondContact O-N 3.36Å; L65-L69 WeakPolarHBondContact O-CD1 3.38Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.35Å; L65-L69 PolarHBondContact O-N 3.31Å
66W47.3Very low42.7Very low157 Ų157123.6 Ų123.660%0.59563%0.632SS**Hα-helixtrans-76.2-36.7173.3-8591.9000112.4F62 A63 E64 L69 L70F62-W66 PolarHBondContact O-N 3.02Å; A63-W66 PolarHBondContact O-N 3.38Å; A63-W66 VanDerWaalsContact O-N 3.15Å; E64-W66 VanDerWaalsContact C-N 3.34Å; E64-W66 PolarHBondContact O-N 3.46Å; W66-L69 PolarHBondContact O-N 2.97Å; W66-L70 HydrophobicContact CE3-CD1 3.8Å; W66-L70 HydrophobicContact CE3-CD2 4.06Å; W66-L70 HydrophobicContact CZ3-CD1 3.87Å; W66-L70 HydrophobicContact CZ3-CD2 4.05Å; W66-L70 PolarHBondContact O-N 3.48Å; W66-L70 VanDerWaalsContact O-N 3.08Å
67H47.2Very low42.2Very low109 Ų109122.8 Ų122.851%0.50563%0.632SS.*Hα-helixtrans-62.5-43.3174.6-83.6-69.9000112.7A63 E64 L69 L71A63-H67 PolarHBondContact O-CD2 3.2Å; A63-H67 VanDerWaalsContact O-CD2 3.29Å; A63-H67 PolarHBondContact O-N 2.74Å; E64-H67 PolarHBondContact O-N 2.9Å; H67-L69 VanDerWaalsContact C-N 3.29Å; H67-L69 PolarHBondContact O-N 2.97Å; H67-L71 PolarHBondContact O-N 2.71Å
68L45.2Very low41.3Very low96 Ų96124.2 Ų124.250%0.50364%0.639SS.*Hα-helixtrans-69.2-22.3178-69.4171.7000114E64 E72E64-L68 WeakPolarHBondContact O-CG 3Å; E64-L68 PolarHBondContact O-N 3.22Å; L68-E72 HydrophobicContact CD2-CG 4.39Å
69L45.5Very low40.6Very low141 Ų141128.9 Ų128.974%0.73865%0.645SS**Hα-helixtrans-93.7-26.5179.9-73.6172.1000114L65 W66 H67L65-L69 WeakPolarHBondContact O-CD1 3.38Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.35Å; L65-L69 PolarHBondContact O-N 3.31Å; W66-L69 PolarHBondContact O-N 2.97Å; H67-L69 VanDerWaalsContact C-N 3.29Å; H67-L69 PolarHBondContact O-N 2.97Å
70L50.6Low39.8Very low99 Ų99131.5 Ų131.552%0.51865%0.649SS.*Hα-helixtrans-116.2-22.4-173.8-93.170.8000116W66 W273W66-L70 HydrophobicContact CE3-CD1 3.8Å; W66-L70 HydrophobicContact CE3-CD2 4.06Å; W66-L70 HydrophobicContact CZ3-CD1 3.87Å; W66-L70 HydrophobicContact CZ3-CD2 4.05Å; W66-L70 PolarHBondContact O-N 3.48Å; W66-L70 VanDerWaalsContact O-N 3.08Å; L70-W273 HydrophobicContact CD2-CZ3 4.27Å
71L48.3Very low38.7Very low129 Ų129133.5 Ų133.568%0.67567%0.666SS**  trans-126.63.7-165.3-147.167.7000116.7H67 R73H67-L71 PolarHBondContact O-N 2.71Å; L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.63Å
72E35.2Very low38.8Very low149 Ų149132.4 Ų132.470%0.69667%0.671SS**  trans-83.266.3173.6-73.1-150.6121.100114L68L68-E72 HydrophobicContact CD2-CG 4.39Å
73R36.2Very low38.2Very low233 Ų233132.8 Ų132.888%0.87968%0.679SS**  trans-140.7106.8143.8-84.9-159.3160.61111.1110.1L71 F75L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.63Å; R73-F75 PolarHBondContact O-N 3.09Å
74P33.6Very low37.8Very low119 Ų119135.4 Ų135.477%0.77370%0.695SS**  trans-66.3108.4173.826.5-32.5000109.8T76P74-T76 PolarHBondContact O-N 3Å
75F30.3Very low37.5Very low179 Ų179138.6 Ų138.679%0.78571%0.709SS**  trans-69.496166.4-174.8-95.5000108.3R73 T77R73-F75 PolarHBondContact O-N 3.09Å; F75-T77 VanDerWaalsContact CD1-OG1 3.23Å; F75-T77 WeakPolarHBondContact CD1-OG1 3.43Å; F75-T77 VanDerWaalsContact CE1-OG1 3.23Å; F75-T77 WeakPolarHBondContact CE1-OG1 3.41Å; F75-T77 PolarHBondContact O-N 3.49Å
76T29.4Very low36.9Very low125 Ų125143.1 Ų143.177%0.76773%0.728SS**  trans-72.293.1172.349.90000109.3P74 D78P74-T76 PolarHBondContact O-N 3Å; T76-D78 VanDerWaalsContact C-N 3.31Å; T76-D78 PolarHBondContact O-N 2.86Å
77T32.8Very low36.1Very low104 Ų104146.1 Ų146.164%0.63874%0.739SS**  trans-68.689.6164.6-49.10000108.9F75F75-T77 VanDerWaalsContact CD1-OG1 3.23Å; F75-T77 WeakPolarHBondContact CD1-OG1 3.43Å; F75-T77 VanDerWaalsContact CE1-OG1 3.23Å; F75-T77 WeakPolarHBondContact CE1-OG1 3.41Å; F75-T77 PolarHBondContact O-N 3.49Å
78D26.2Very low35.3Very low155 Ų155147.6 Ų147.683%0.82975%0.75SS**  trans-92.9104.7160.7-159.1-91.5000109.2T76T76-D78 VanDerWaalsContact C-N 3.31Å; T76-D78 PolarHBondContact O-N 2.86Å
79R33.8Very low35.4Very low203 Ų203148.6 Ų148.677%0.76676%0.762SS**  trans-147.6121.9168.4-162.9102.173.6178.51102.4
80D29.5Very low34.7Very low132 Ų132146 Ų14671%0.70677%0.769SS**  cis-143.2145.441.9-73.1-80.6000114.5
81S26.8Very low33.6Very low120 Ų120144.9 Ų144.984%0.83978%0.781SS**  trans-163.5133.6130.3-860000111.9
82P45.9Very low32.8Very low117 Ų117149.5 Ų149.576%0.7679%0.79SS**  trans-88.3145.9174.835.7-33000111.4
83D29.5Very low32.7Very low152 Ų152148.5 Ų148.581%0.81379%0.789SS**  -156149.7105.5-151.9-127.2000111.5
84S36.4Very low32.5Very low100 Ų100144.6 Ų144.670%0.69979%0.791SS**  trans-104.9126.8-172.352.20000111.6
85E31.4Very low32.4Very low194 Ų194142.5 Ų142.591%0.90779%0.791SS**  trans-136.4140.6161.1-76.5-139.1102.500114.3
86H34.3Very low32.6Very low192 Ų192144.7 Ų144.789%0.88980%0.801SS**  trans-84.1132-176-103.1-109.2000112.5
87R29.6Very low32.7Very low220 Ų220141.7 Ų141.783%0.8380%0.795SS**  trans-69.4142.5150.7-103.8-168.8171.5177.3-0.3107.9
88L31.8Very low32.7Very low140 Ų140143.4 Ų143.473%0.73380%0.8SS**  cis-165.3-170.918.4-96.3176.1000107
89P47.3Very low33.3Very low118 Ų118144 Ų14477%0.76680%0.803SS**  cis-134162.1-20.825.4-3.6000115.9
90G29.9Very low33.4Very low85 Ų85138.2 Ų138.288%0.87681%0.806SS**  trans106.2144.1133.300000119.8
91G27.9Very low33.6Very low76 Ų76135 Ų13578%0.78480%0.804SS**  trans119.391.7149.200000119.5
92R31.3Very low34.1Very low226 Ų226138.1 Ų138.185%0.85381%0.811SS**  trans57.3118.2140.5-76.8-173.7151.2-157.4-4.1122.9
93L32.3Very low33.4Very low129 Ų129136.6 Ų136.668%0.67582%0.816SS**  69.8138.3121.1-57172.8000122
94T32Very low33.8Very low150 Ų150133.3 Ų133.392%0.9282%0.818SS**  trans67.3147.1166.965.10000116.5
95G33Very low33.5Very low76 Ų76132.2 Ų132.278%0.78482%0.822SS**  cis-168173.8-0.600000111.9
96F32.7Very low33.8Very low224 Ų224128.2 Ų128.298%0.98282%0.816SS**  trans-74.2154.2179.6-105-111.6000113.5
97G33.2Very low34Very low63 Ų63127.2 Ų127.265%0.64982%0.815SS**  trans141104.6165.300000111.3
98D32.2Very low34.1Very low139 Ų139120.8 Ų120.874%0.74382%0.817SS**  87.3115.267.4-88.3-57.7000115.6
99L39.6Very low34.1Very low169 Ų169117.4 Ų117.489%0.88582%0.816SS**  trans58.2122.8140.8-64.3166.5000122.5
100G34.3Very low33.5Very low81 Ų81117.2 Ų117.284%0.83582%0.818SS**  trans147.7122.7160.400000111.2
101G33.8Very low33.9Very low65 Ų65119.1 Ų119.167%0.6781%0.812SS**  cis117.6129.15.800000111.9
102L37.3Very low34.9Very low185 Ų185121.7 Ų121.797%0.96982%0.815SS**  trans67.4130.2165.870.5137.5000122.5
103G32.8Very low35.3Very low85 Ų85116.8 Ų116.888%0.87681%0.81SS**  trans116.4130.6159.500000115.8
104G36Very low35.3Very low83 Ų83113.8 Ų113.886%0.85681%0.811SS**  cis154.7114.8-12.600000114.8
105G30.6Very low35.6Very low76 Ų76114.7 Ų114.778%0.78481%0.809SS**  trans75.7165.7166.700000117.7
106S39Very low35.5Very low110 Ų110115 Ų11577%0.76981%0.813SS**  cis-169.6144.8-5.6-89.90000113.8
107I37.8Very low35.3Very low171 Ų171108.2 Ų108.288%0.87781%0.806SS**  trans60.4137.6145.473.4179.1000126.3
108G32.4Very low35.9Very low85 Ų85110.8 Ų110.888%0.87681%0.814SS**  trans92.1141.1144.700000118.8
109G30.3Very low36.3Very low69 Ų69113 Ų11371%0.71182%0.822SS**  cis172.2137.1-1100000115
110S34.7Very low35.9Very low115 Ų115108.6 Ų108.680%0.80482%0.817SS**  trans66.5108.4136.1-55.70000125.1
111V38.8Very low35.7Very low124 Ų124108.3 Ų108.375%0.75281%0.814SS**  trans56.3152.5136.8-113.40000122.4
112P49.8Very low35.6Very low130 Ų130113 Ų11384%0.84482%0.823SS**  -138.1175.881.737.5-21.1000116.8
113T38.5Very low35.6Very low123 Ų123112.5 Ų112.576%0.75582%0.821SS**  trans-132.5145.2-178.5-55.40000110.4
114G33.5Very low35.5Very low66 Ų66111.7 Ų111.768%0.6881%0.812SS**  trans-178.9118.5165.100000109
115L36.9Very low35.4Very low169 Ų169113.8 Ų113.889%0.88581%0.814SS**  cis87.3119.946.1-69.4178.2000114.4
116G31.5Very low35.5Very low84 Ų84113.1 Ų113.187%0.86681%0.806SS**  trans88144.4170.300000114.6
117G28.9Very low35.5Very low81 Ų81115.9 Ų115.984%0.83581%0.813SS**  cis177.3155.2-200000109.8
118S45.6Very low35.4Very low117 Ų117111.9 Ų111.982%0.81880%0.8SS**  trans-111140-168.9-1760000114
119M40.9Very low35.4Very low185 Ų185119.5 Ų119.591%0.91180%0.802SS**  trans-177.6139.1164.445.9-162.673.300109.7
120G31.6Very low35.6Very low76 Ų76119.2 Ų119.278%0.78480%0.799SS**  cis158.2114.6-12.100000113.8
121G29.4Very low35.7Very low75 Ų75123.4 Ų123.477%0.77381%0.806SS**  trans67.4163.4165.700000117.4
122L30.3Very low35.4Very low165 Ų165121.2 Ų121.286%0.86481%0.809SS**  cis-146.6146.7-2.3-69.2164.5000106.7
123L38.5Very low34.9Very low174 Ų174126.7 Ų126.791%0.91181%0.812SS**  173.8152.289.6-75.9165.5000105.6
124G29.7Very low35.3Very low68 Ų68126.4 Ų126.470%0.70181%0.813SS**  cis145.789.71.100000112
125S35.5Very low35.9Very low127 Ų127128.7 Ų128.789%0.88882%0.815SS**  trans168.7128.5162.9-740000106
126G32.6Very low36.6Very low61 Ų61132.4 Ų132.463%0.62982%0.818SS**  cis119.8126.932.200000106.4
127D37.3Very low36.9Very low169 Ų169136.3 Ų136.390%0.90482%0.818SS**  cis-152.1170.89.6-64.1-61.2000112.8
128S37.2Very low38Very low86 Ų86136.2 Ų136.260%0.60182%0.817SS**  trans-65160170.4-165.40000111.4
129W31.6Very low37.6Very low246 Ų246136.1 Ų136.193%0.93282%0.816SS**  cis-15417632.8-54.673.3000109.2
130G34.2Very low37.9Very low63 Ų63136.1 Ų136.165%0.64981%0.814SS**  cis154.5152.9-700000113.1
131Q37.3Very low38Very low203 Ų203144.1 Ų144.195%0.94982%0.82SS**  trans68.3131168.3-57.3-74.921.600120.9
132G31.9Very low38.5Very low78 Ų78151.3 Ų151.380%0.80482%0.824SS**  trans130.596.9151.900000119.4
133R40.4Very low38.7Very low244 Ų244153.2 Ų153.292%0.92182%0.821SS**  trans-110.3147.8149.7-93.9-173.3179.4-130.44.2107.1
134P46.3Very low38.6Very low118 Ų118156.1 Ų156.177%0.76682%0.82SS**  -149.9-148.460.439.1-16000112.8
135P47.3Very low38.8Very low113 Ų113157.5 Ų157.573%0.73482%0.819SS**  -106.1-179.3-62.633.6-19.7000112
136R49.7Very low38.9Very low248 Ų248162.9 Ų162.994%0.93682%0.82SS**  trans-76.8136.3170.6-70.4-160.8-176.7-78.97111.5
137L39.4Very low39.3Very low165 Ų165163.3 Ų163.386%0.86483%0.825SS**  trans-125.4133.3163.7-117.3158.3000108.1
138G50.7Low39.3Very low79 Ų79160.4 Ų160.481%0.81482%0.818SS**  trans-68.413217600000110.6
139S37.6Very low39.7Very low115 Ų115162 Ų16280%0.80483%0.829SS**  trans-131.3113.5175.6-175.80000109.7R141S139-R141 PolarHBondContact O-N 2.95Å; S139-R141 VanDerWaalsContact O-N 3.09Å
140Q46.9Very low40.1Very low185 Ų185160.9 Ų160.986%0.86483%0.825SS**  trans-64.8105.6176.2-68.5155.9-60.500109.6R142Q140-R142 PolarHBondContact O-N 3.24Å
141R34.8Very low40.4Very low244 Ų244163.8 Ų163.892%0.92183%0.832SS**  trans-76.391.8168.5-172.3171.2-80.9-118.63.3109S139 Y143S139-R141 PolarHBondContact O-N 2.95Å; S139-R141 VanDerWaalsContact O-N 3.09Å; R141-Y143 PolarHBondContact O-N 3.22Å
142R40.3Very low40.2Very low226 Ų226160.8 Ų160.885%0.85382%0.823SS**  trans-51.8117169.2-77.2177.8-88.9-173.7-7.9110.1Q140 R144Q140-R142 PolarHBondContact O-N 3.24Å; R142-R144 PolarHBondContact O-N 3.2Å
143Y33.8Very low41Very low205 Ų205168 Ų16880%0.80483%0.825SS**  trans-72112.4162.9-167.7-101.7000108R141 S145R141-Y143 PolarHBondContact O-N 3.22Å; Y143-S145 WeakPolarHBondContact CD1-OG 3.5Å; Y143-S145 PolarHBondContact O-N 2.83Å
144R35.6Very low41.3Very low235 Ų235160.1 Ų160.189%0.88781%0.808SS**  trans-79.494.1168.5-85.9-167.7174.8-163.80.4108R142 R146R142-R144 PolarHBondContact O-N 3.2Å; R144-R146 PolarHBondContact O-N 3.18Å
145S35.2Very low41.6Very low97 Ų97160 Ų16068%0.67881%0.807SS**  trans-59.5107.4164.6-59.70000109.1Y143 G147Y143-S145 WeakPolarHBondContact CD1-OG 3.5Å; Y143-S145 PolarHBondContact O-N 2.83Å; S145-G147 PolarHBondContact O-N 2.8Å; S145-G147 VanDerWaalsContact O-N 3.11Å
146R37.1Very low42Very low240 Ų240157.5 Ų157.591%0.90680%0.796SS**  trans-71.5100.2164.6173.7175.7-86.2-112.61.5106.5R144 S148R144-R146 PolarHBondContact O-N 3.18Å; R146-S148 PolarHBondContact O-N 2.7Å; R146-S148 VanDerWaalsContact O-N 3.13Å
147G41.7Very low42.3Very low71 Ų71151.1 Ų151.173%0.73278%0.784SS**  trans-59.5115176.200000110.5S145S145-G147 PolarHBondContact O-N 2.8Å; S145-G147 VanDerWaalsContact O-N 3.11Å
148S36Very low42.9Very low107 Ų107150.1 Ų150.175%0.74878%0.775SS**  trans-101.6104.7161.2-1720000106.6R146 R150R146-S148 PolarHBondContact O-N 2.7Å; R146-S148 VanDerWaalsContact O-N 3.13Å; S148-R150 PolarHBondContact O-N 2.93Å
149S46.2Very low43Very low121 Ų121148.3 Ų148.385%0.84676%0.756SS**  trans-69.6100.8179.6-54.60000109.7
150R38.9Very low43.9Very low222 Ų222148.6 Ų148.684%0.83875%0.747SS**PPolyproline II helixtrans-101.3133.1154.9-72.6-168.1171.9-167.3-1.3108S148 D152S148-R150 PolarHBondContact O-N 2.93Å; R150-D152 PolarHBondContact O-N 3.04Å
151P40.3Very low44.4Very low124 Ų124143.8 Ų143.881%0.80573%0.73SS**PPolyproline II helixtrans-68.6123.5178.428-32.6000109.2R153P151-R153 PolarHBondContact O-N 2.94Å
152D35Very low45.3Very low140 Ų140137.8 Ų137.875%0.74971%0.713SS**PPolyproline II helixtrans-62.2127.3166.3-176.650.8000108.8R150 S154R150-D152 PolarHBondContact O-N 3.04Å; D152-S154 PolarHBondContact OD2-OG 3.01Å
153R48.4Very low46.1Very low229 Ų229132.1 Ų132.186%0.86470%0.696SS**  trans-114.974.1-175.1-168.8-178.2176.4-171.2-2.5109.5P151 P155P151-R153 PolarHBondContact O-N 2.94Å; R153-P155 WeakPolarHBondContact O-CD 3.44Å
154S46.1Very low47Very low78 Ų78129.7 Ų129.755%0.54569%0.69SS.*  trans-118.549.2176.558.20000114.3D152 A156D152-S154 PolarHBondContact OD2-OG 3.01Å; S154-A156 PolarHBondContact O-N 2.9Å
155P53Low47.9Very low116 Ų116122.8 Ų122.875%0.75367%0.67SS**THydrogen-bonded Turntrans-79.577.1-175.936.2-37000112.4R153R153-P155 WeakPolarHBondContact O-CD 3.44Å
156A55.4Low48.7Very low60 Ų60120.9 Ų120.950%0.49666%0.66SS.*THydrogen-bonded Turntrans-155.5-42.8169.800000114.8S154 G159 I160S154-A156 PolarHBondContact O-N 2.9Å; A156-G159 PolarHBondContact O-N 3.44Å; A156-I160 PolarHBondContact O-N 3.48Å
157V55.1Low49.6Very low114 Ų114112 Ų11269%0.69164%0.643SS**Hα-helixtrans-69.2-41.2-168.9179.20000112.2G159 V161V157-G159 PolarHBondContact O-N 3.47Å; V157-V161 WeakPolarHBondContact O-CG2 3.38Å; V157-V161 PolarHBondContact O-N 3.14Å
158E51.9Low50.2Low145 Ų145114.6 Ų114.668%0.67864%0.64SS**Hα-helixtrans-71.1-30.3-178-167.1165.6-16100112.8Q162E158-Q162 WeakPolarHBondContact O-CB 3.25Å; E158-Q162 VanDerWaalsContact O-CG 3.23Å; E158-Q162 WeakPolarHBondContact O-CG 3.5Å; E158-Q162 PolarHBondContact O-N 3.1Å; E158-Q162 VanDerWaalsContact O-N 3.16Å
159G53.8Low50.7Low40 Ų40117 Ų11741%0.41264%0.637SS.*Hα-helixtrans-67.2-44.7176.500000113A156 V157 Q162 Q163A156-G159 PolarHBondContact O-N 3.44Å; V157-G159 PolarHBondContact O-N 3.47Å; G159-Q162 PolarHBondContact O-N 3.24Å; G159-Q163 WeakPolarHBondContact O-CB 3.39Å; G159-Q163 PolarHBondContact O-N 3.26Å
160I57Low50.7Low121 Ų121115.3 Ų115.362%0.62163%0.63SS**Hα-helixtrans-70.6-39.4-176.3-64.5168.4000111.4A156 Q163 F164A156-I160 PolarHBondContact O-N 3.48Å; I160-Q163 VanDerWaalsContact O-CB 3.27Å; I160-Q163 WeakPolarHBondContact O-CB 3.48Å; I160-Q163 PolarHBondContact O-N 3.13Å; I160-F164 PolarHBondContact O-N 3.29Å; I160-F164 VanDerWaalsContact O-N 3.17Å
161V56Low51.3Low84 Ų84111.2 Ų111.251%0.50963%0.625SS.*Hα-helixtrans-67.9-39176.4178.90000111.1V157 F164 L165V157-V161 WeakPolarHBondContact O-CG2 3.38Å; V157-V161 PolarHBondContact O-N 3.14Å; V161-F164 PolarHBondContact O-N 3.36Å; V161-L165 HydrophobicContact CG1-CD1 4.18Å; V161-L165 WeakPolarHBondContact O-CD1 3.42Å; V161-L165 PolarHBondContact O-N 3.05Å; V161-L165 VanDerWaalsContact O-N 3.09Å
162Q55.1Low51.6Low118 Ų118110.8 Ų110.855%0.55163%0.625SS**Hα-helixtrans-67.3-33.4172.7-71.5179.612.800112.5E158 G159 F164 A166E158-Q162 WeakPolarHBondContact O-CB 3.25Å; E158-Q162 VanDerWaalsContact O-CG 3.23Å; E158-Q162 WeakPolarHBondContact O-CG 3.5Å; E158-Q162 PolarHBondContact O-N 3.1Å; E158-Q162 VanDerWaalsContact O-N 3.16Å; G159-Q162 PolarHBondContact O-N 3.24Å; Q162-F164 VanDerWaalsContact C-N 3.32Å; Q162-F164 PolarHBondContact O-N 3.47Å; Q162-A166 WeakPolarHBondContact O-CB 3.34Å; Q162-A166 PolarHBondContact O-N 3.2Å
163Q56.5Low52.2Low107 Ų107107.1 Ų107.150%0.562%0.621SS.*Hα-helixtrans-57.9-44172.6-14491.171.300111.5G159 I160 G167 W182G159-Q163 WeakPolarHBondContact O-CB 3.39Å; G159-Q163 PolarHBondContact O-N 3.26Å; I160-Q163 VanDerWaalsContact O-CB 3.27Å; I160-Q163 WeakPolarHBondContact O-CB 3.48Å; I160-Q163 PolarHBondContact O-N 3.13Å; Q163-G167 PolarHBondContact O-N 3.31Å; Q163-W182 VanDerWaalsContact CD-CH2 3.45Å; Q163-W182 HydrophobicContact CG-CH2 3.84Å; Q163-W182 HydrophobicContact CG-CZ2 4.35Å; Q163-W182 HydrophobicContact CG-CZ3 4.29Å
164F52.4Low52.1Low155 Ų155101.5 Ų101.568%0.6861%0.611SS**Hα-helixtrans-72.7-42.3-178.5-161.1-93.2000112.4I160 V161 Q162 G167 L168I160-F164 PolarHBondContact O-N 3.29Å; I160-F164 VanDerWaalsContact O-N 3.17Å; V161-F164 PolarHBondContact O-N 3.36Å; Q162-F164 VanDerWaalsContact C-N 3.32Å; Q162-F164 PolarHBondContact O-N 3.47Å; F164-G167 PolarHBondContact O-N 3.19Å; F164-L168 HydrophobicContact CD1-CD1 4.39Å; F164-L168 HydrophobicContact CE1-CD1 4.19Å; F164-L168 PolarHBondContact O-N 3.31Å
165L53.7Low51.7Low89 Ų89104.1 Ų104.147%0.46663%0.626SS.*Hα-helixtrans-65.8-41174.5-93.875.2000112V161 G167 L168 F169V161-L165 HydrophobicContact CG1-CD1 4.18Å; V161-L165 WeakPolarHBondContact O-CD1 3.42Å; V161-L165 PolarHBondContact O-N 3.05Å; V161-L165 VanDerWaalsContact O-N 3.09Å; L165-G167 VanDerWaalsContact C-N 3.29Å; L165-G167 PolarHBondContact O-N 3.19Å; L165-L168 WeakPolarHBondContact O-CB 3.35Å; L165-L168 PolarHBondContact O-N 3Å; L165-F169 WeakPolarHBondContact O-CD2 3.18Å; L165-F169 PolarHBondContact O-N 2.67Å
166A53.3Low51.4Low58 Ų58102.4 Ų102.448%0.47963%0.63SS.*Hα-helixtrans-61.3-37.6178.300000112.3Q162 L168 F169 A170Q162-A166 WeakPolarHBondContact O-CB 3.34Å; Q162-A166 PolarHBondContact O-N 3.2Å; A166-L168 VanDerWaalsContact C-N 3.28Å; A166-L168 PolarHBondContact O-N 3.07Å; A166-F169 PolarHBondContact O-N 3.1Å; A166-A170 VanDerWaalsContact O-CB 3.25Å; A166-A170 WeakPolarHBondContact O-CB 3.27Å; A166-A170 PolarHBondContact O-N 3.32Å
167G55.4Low51Low53 Ų53104.1 Ų104.155%0.54664%0.638SS.*Hα-helixtrans-64.7-28.2173.700000114.3Q163 F164 L165Q163-G167 PolarHBondContact O-N 3.31Å; F164-G167 PolarHBondContact O-N 3.19Å; L165-G167 VanDerWaalsContact C-N 3.29Å; L165-G167 PolarHBondContact O-N 3.19Å
168L53.6Low50.7Low125 Ų125103.9 Ų103.965%0.65464%0.639SS**Hα-helixtrans-77.5-29.6177.1-105.1160.5000113.3F164 L165 A166F164-L168 HydrophobicContact CD1-CD1 4.39Å; F164-L168 HydrophobicContact CE1-CD1 4.19Å; F164-L168 PolarHBondContact O-N 3.31Å; L165-L168 WeakPolarHBondContact O-CB 3.35Å; L165-L168 PolarHBondContact O-N 3Å; A166-L168 VanDerWaalsContact C-N 3.28Å; A166-L168 PolarHBondContact O-N 3.07Å
169F47.3Very low50.6Low158 Ų158102.7 Ų102.769%0.69364%0.644SS**Hα-helixtrans-96.9-18.9-179.9-66.3-68.4000114.5L165 A166 N171L165-F169 WeakPolarHBondContact O-CD2 3.18Å; L165-F169 PolarHBondContact O-N 2.67Å; A166-F169 PolarHBondContact O-N 3.1Å; F169-N171 PolarHBondContact O-N 2.89Å
170A46.4Very low50.4Low85 Ų85109 Ų10970%0.70267%0.668SS**THydrogen-bonded Turntrans-79.6-11.3-175.500000115.4A166A166-A170 VanDerWaalsContact O-CB 3.25Å; A166-A170 WeakPolarHBondContact O-CB 3.27Å; A166-A170 PolarHBondContact O-N 3.32Å
171N51.1Low50.2Low137 Ų137108.3 Ų108.373%0.73367%0.673SS**THydrogen-bonded Turntrans-95.712.9-174.3-159.826.6000114.8F169 G173F169-N171 PolarHBondContact O-N 2.89Å; N171-G173 PolarHBondContact O-N 3.42Å
172S46.2Very low49.9Very low114 Ų114113.4 Ų113.480%0.79768%0.683SS**SBendtrans-80.165172.365.20000112
173G48.8Very low49.7Very low64 Ų64113.9 Ų113.966%0.6670%0.695SS**SBendtrans124.198.4162.900000116.2N171N171-G173 PolarHBondContact O-N 3.42Å
174V45.4Very low49.5Very low110 Ų110111.8 Ų111.867%0.66770%0.702SS**  -174.1124.7126.1147.60000107.3
175P38.9Very low49.6Very low133 Ų133111.3 Ų111.386%0.86470%0.703SS**SBendtrans-82.1125.8175.331.6-31.2000110.8
176G46.8Very low49.5Very low80 Ų80113.6 Ų113.683%0.82572%0.715SS**SBendtrans124.9-1.3161.600000118.3
177S45.4Very low49.8Very low96 Ų96118.9 Ų118.967%0.67173%0.73SS**PPolyproline II helixtrans-87.3133.9174.3-60.20000111.2
178P49.8Very low49.8Very low109 Ų109119.1 Ų119.171%0.70872%0.723SS**PPolyproline II helixtrans-63.5145.8170.328.8-34000109.6L180P178-L180 PolarHBondContact O-N 3.32Å; P178-L180 VanDerWaalsContact O-N 3.14Å
179P49.1Very low50.4Low121 Ų121118.6 Ų118.679%0.78672%0.721SS**PPolyproline II helixtrans-59.9121.8-179.524.8-33.4000109.8S181P179-S181 PolarHBondContact O-N 2.71Å
180L50.2Low51.2Low173 Ų173115.8 Ų115.891%0.90672%0.718SS**PPolyproline II helixtrans-61.4123.8176.2-73.3169.1000109.1P178 W182P178-L180 PolarHBondContact O-N 3.32Å; P178-L180 VanDerWaalsContact O-N 3.14Å; L180-W182 PolarHBondContact O-N 3.38Å
181S53.1Low52.1Low105 Ų105115 Ų11573%0.73472%0.719SS**  trans-6880.4-170.5-500000113.5P179 T183P179-S181 PolarHBondContact O-N 2.71Å; S181-T183 PolarHBondContact O-N 3.03Å; S181-T183 VanDerWaalsContact O-N 3.07Å
182W50.4Low52.6Low191 Ų191114.4 Ų114.472%0.72372%0.716SS**  trans-79.545.2158.2-156.5-35.4000110.9Q163 L180 G184Q163-W182 VanDerWaalsContact CD-CH2 3.45Å; Q163-W182 HydrophobicContact CG-CH2 3.84Å; Q163-W182 HydrophobicContact CG-CZ2 4.35Å; Q163-W182 HydrophobicContact CG-CZ3 4.29Å; L180-W182 PolarHBondContact O-N 3.38Å; W182-G184 VanDerWaalsContact C-N 3.33Å
183T50.4Low53.7Low129 Ų129112.9 Ų112.979%0.79169%0.693SS**  trans-97.213.2177.2-25.20000111.7S181S181-T183 PolarHBondContact O-N 3.03Å; S181-T183 VanDerWaalsContact O-N 3.07Å
184G50.7Low55Low63 Ų63111.9 Ų111.965%0.64968%0.678SS**SBendtrans-112.28.2-162.800000117.4W182W182-G184 VanDerWaalsContact C-N 3.33Å
185M56Low56.2Low144 Ų144116.6 Ų116.671%0.70968%0.684SS**SBendtrans-143.721.9-175.1-114.4172.1-171.400116.3
186L51.9Low57.7Low138 Ų138112.7 Ų112.772%0.72367%0.669SS**  trans-110105.3159.4-64.5177.8000107.1S188L186-S188 PolarHBondContact O-N 2.63Å
187H58.1Low58.5Low169 Ų169116.6 Ų116.678%0.78267%0.665SS**  trans-791.8-171.7-70.688.9000114
188S56.6Low59.9Low58 Ų58114.6 Ų114.641%0.40666%0.66SS.*SBendtrans-137.9161.7-179.3-51.30000111.9L186 Y193L186-S188 PolarHBondContact O-N 2.63Å; S188-Y193 PolarHBondContact N-OH 3.32Å
189N66.5Low61.3Low114 Ų114110.5 Ų110.561%0.6164%0.638SS**  trans-59.5131.7174.1179.424.9000110.5G191 D192 Y193N189-G191 PolarHBondContact O-N 3.06Å; N189-D192 HydrophobicContact CB-CB 4.38Å; N189-D192 WeakPolarHBondContact O-CB 3.05Å; N189-D192 PolarHBondContact O-N 3.18Å; N189-Y193 WeakPolarHBondContact O-CD2 3.42Å; N189-Y193 WeakPolarHBondContact O-CE2 3.41Å
190P63.8Low62.9Low98 Ų98109.1 Ų109.164%0.63662%0.623SS**THydrogen-bonded Turntrans-57.3-18.7-179.219.3-33.4000115.4
191G64.9Low64.3Low70 Ų70104.7 Ų104.772%0.72260%0.6SS**THydrogen-bonded Turntrans-83.4-4.6173.500000116N189N189-G191 PolarHBondContact O-N 3.06Å
192D61.3Low65.5Low124 Ų124102.6 Ų102.666%0.66359%0.589SS**SBendtrans-96.50.2-177.9-16237.3000112.7N189N189-D192 HydrophobicContact CB-CB 4.38Å; N189-D192 WeakPolarHBondContact O-CB 3.05Å; N189-D192 PolarHBondContact O-N 3.18Å
193Y69.5Low66.8Low82 Ų8297.1 Ų97.132%0.32258%0.577SS.*SBendtrans-94.9120179.3-64.2-84000110.8S188 N189 W195S188-Y193 PolarHBondContact N-OH 3.32Å; N189-Y193 WeakPolarHBondContact O-CD2 3.42Å; N189-Y193 WeakPolarHBondContact O-CE2 3.41Å; Y193-W195 VanDerWaalsContact C-N 3.33Å; Y193-W195 AromaticContact CG-NE1 3.98Å; Y193-W195 VanDerWaalsContact O-CD1 3.24Å; Y193-W195 PolarHBondContact O-N 3Å
194A75.6Confident68.3Low42 Ų4295 Ų9535%0.34756%0.56SS.*  trans-71.282.8172.200000111.5L200 V203A194-L200 HydrophobicContact CB-CD2 3.68Å; A194-L200 HydrophobicContact CB-CG 4.17Å; A194-V203 HydrophobicContact CB-CG2 4.18Å
195W70.5Confident69.7Low209 Ų20996.8 Ų96.879%0.79256%0.558SS**  trans-81.7120178.3-71.297.7000112Y193Y193-W195 VanDerWaalsContact C-N 3.33Å; Y193-W195 AromaticContact CG-NE1 3.98Å; Y193-W195 VanDerWaalsContact O-CD1 3.24Å; Y193-W195 PolarHBondContact O-N 3Å
196G70.4Confident70.7Confident52 Ų5296.4 Ų96.454%0.53656%0.555SS.*SBendtrans76.3169.8176.900000113.9G198 G199 L200G196-G198 PolarHBondContact O-N 3.38Å; G196-G199 PolarHBondContact O-N 3.17Å; G196-L200 PolarHBondContact O-N 2.94Å
197Q65.1Low71.8Confident162 Ų16294.7 Ų94.776%0.75755%0.545SS*.Hα-helixtrans-57.8-47.9-170.2-166.7170.5-25.400112.7G199 L200 D201Q197-G199 VanDerWaalsContact C-N 3.27Å; Q197-G199 PolarHBondContact O-N 3.03Å; Q197-L200 WeakPolarHBondContact O-CB 3.49Å; Q197-L200 PolarHBondContact O-N 3.24Å; Q197-L200 VanDerWaalsContact O-N 3.13Å; Q197-D201 VanDerWaalsContact O-CG 3.28Å; Q197-D201 PolarHBondContact O-N 3.01Å
198G73.8Confident72.5Confident54 Ų5490.9 Ų90.956%0.55753%0.53SS*.Hα-helixtrans-67.7-19.8177.300000115.2G196 A202G196-G198 PolarHBondContact O-N 3.38Å; G198-A202 PolarHBondContact O-N 3.07Å
199G79.8Confident73.1Confident23 Ų2389.6 Ų89.624%0.23753%0.526CS..Hα-helixtrans-74.2-36.917200000111.9G196 Q197 V203G196-G199 PolarHBondContact O-N 3.17Å; Q197-G199 VanDerWaalsContact C-N 3.27Å; Q197-G199 PolarHBondContact O-N 3.03Å; G199-V203 PolarHBondContact O-N 3.06Å
200L82.3Confident73Confident92 Ų9289.8 Ų89.848%0.48252%0.523SS..Hα-helixtrans-68.6-45.3173-66.1166.9000111A194 G196 Q197 A202 V203 I204A194-L200 HydrophobicContact CB-CD2 3.68Å; A194-L200 HydrophobicContact CB-CG 4.17Å; G196-L200 PolarHBondContact O-N 2.94Å; Q197-L200 WeakPolarHBondContact O-CB 3.49Å; Q197-L200 PolarHBondContact O-N 3.24Å; Q197-L200 VanDerWaalsContact O-N 3.13Å; L200-A202 VanDerWaalsContact C-N 3.25Å; L200-A202 PolarHBondContact O-N 3.08Å; L200-V203 PolarHBondContact O-N 3.4Å; L200-V203 VanDerWaalsContact O-N 3.12Å; L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.38Å; L200-I204 PolarHBondContact O-N 3Å
201D80.1Confident72.8Confident80 Ų8091.6 Ų91.643%0.42853%0.527SS..Hα-helixtrans-58.6-36.1179.6-63.4-29.2000112.4Q197 T205Q197-D201 VanDerWaalsContact O-CG 3.28Å; Q197-D201 PolarHBondContact O-N 3.01Å; D201-T205 WeakPolarHBondContact O-CB 3.45Å; D201-T205 PolarHBondContact O-N 3.31Å; D201-T205 PolarHBondContact O-OG1 3.44Å
202A77Confident72.6Confident61 Ų6195.1 Ų95.150%0.50452%0.524SS..Hα-helixtrans-67.9-43.1175.400000112.8G198 L200 T205 Q206G198-A202 PolarHBondContact O-N 3.07Å; L200-A202 VanDerWaalsContact C-N 3.25Å; L200-A202 PolarHBondContact O-N 3.08Å; A202-T205 PolarHBondContact O-N 3.33Å; A202-Q206 PolarHBondContact O-N 3.34Å
203V79.3Confident72.5Confident75 Ų7595.6 Ų95.646%0.45553%0.527SS..Hα-helixtrans-65.6-42.3175.7173.30000110.9A194 G199 L200 T205 Q206 L207A194-V203 HydrophobicContact CB-CG2 4.18Å; G199-V203 PolarHBondContact O-N 3.06Å; L200-V203 PolarHBondContact O-N 3.4Å; L200-V203 VanDerWaalsContact O-N 3.12Å; V203-T205 PolarHBondContact O-N 3.15Å; V203-Q206 PolarHBondContact O-N 3.42Å; V203-L207 HydrophobicContact CG1-CD1 3.94Å; V203-L207 HydrophobicContact CG1-CG 4.45Å; V203-L207 WeakPolarHBondContact O-CG 3.3Å; V203-L207 PolarHBondContact O-N 3.49Å
204I81.3Confident71.7Confident86 Ų8696.8 Ų96.844%0.44154%0.543SS..Hα-helixtrans-58.9-48.8175.3-69.8165.2000110.1L200 Q206 L207 L208L200-I204 VanDerWaalsContact O-CG1 3.29Å; L200-I204 WeakPolarHBondContact O-CG1 3.38Å; L200-I204 PolarHBondContact O-N 3Å; I204-Q206 VanDerWaalsContact C-N 3.3Å; I204-Q206 PolarHBondContact O-N 3.33Å; I204-L207 PolarHBondContact O-N 3.11Å; I204-L208 HydrophobicContact CG2-CD1 3.79Å; I204-L208 WeakPolarHBondContact O-CD1 3.34Å; I204-L208 PolarHBondContact O-N 3.13Å
205T79.4Confident70.7Confident99 Ų9997.9 Ų97.961%0.60756%0.559SS**Hα-helixtrans-60.2-39.8179.6-58.40000111.9D201 A202 V203 G209D201-T205 WeakPolarHBondContact O-CB 3.45Å; D201-T205 PolarHBondContact O-N 3.31Å; D201-T205 PolarHBondContact O-OG1 3.44Å; A202-T205 PolarHBondContact O-N 3.33Å; V203-T205 PolarHBondContact O-N 3.15Å; T205-G209 PolarHBondContact O-N 2.71Å
206Q77.3Confident69.7Low137 Ų13792.6 Ų92.664%0.6455%0.551SS**Hα-helixtrans-70.3-36.3177.1-173158.1-39.500112.8A202 V203 I204 Q210A202-Q206 PolarHBondContact O-N 3.34Å; V203-Q206 PolarHBondContact O-N 3.42Å; I204-Q206 VanDerWaalsContact C-N 3.3Å; I204-Q206 PolarHBondContact O-N 3.33Å; Q206-Q210 WeakPolarHBondContact O-CG 3.44Å; Q206-Q210 PolarHBondContact O-N 3.1Å; Q206-Q210 VanDerWaalsContact O-N 3.12Å
207L74.3Confident68.9Low101 Ų10195.7 Ų95.753%0.52956%0.562SS.*Hα-helixtrans-67.8-40.5174.7-72169000112.2V203 I204 Q210 L211V203-L207 HydrophobicContact CG1-CD1 3.94Å; V203-L207 HydrophobicContact CG1-CG 4.45Å; V203-L207 WeakPolarHBondContact O-CG 3.3Å; V203-L207 PolarHBondContact O-N 3.49Å; I204-L207 PolarHBondContact O-N 3.11Å; L207-Q210 PolarHBondContact O-N 3.37Å; L207-L211 PolarHBondContact O-N 3.33Å; L207-L211 VanDerWaalsContact O-N 3.08Å
208L73.1Confident68.2Low90 Ų9093.4 Ų93.447%0.47156%0.561SS.*Hα-helixtrans-63.2-48.6174.7-9172.5000110.9I204 Q210 L211 E212I204-L208 HydrophobicContact CG2-CD1 3.79Å; I204-L208 WeakPolarHBondContact O-CD1 3.34Å; I204-L208 PolarHBondContact O-N 3.13Å; L208-Q210 PolarHBondContact O-N 2.86Å; L208-L211 PolarHBondContact O-N 2.99Å; L208-E212 VanDerWaalsContact O-CG 3.28Å; L208-E212 WeakPolarHBondContact O-CG 3.5Å; L208-E212 PolarHBondContact O-N 3.41Å
209G70.4Confident66.9Low30 Ų3093.2 Ų93.231%0.30955%0.554SS.*Hα-helixtrans-61.7-26.417800000114.4T205 N213T205-G209 PolarHBondContact O-N 2.71Å; G209-N213 PolarHBondContact O-ND2 2.97Å
210Q62.9Low65.6Low118 Ų11898.9 Ų98.955%0.55157%0.574SS**Hα-helixtrans-75.1-35.8171.1-76.6-178.2-39.900112.9Q206 L207 L208Q206-Q210 WeakPolarHBondContact O-CG 3.44Å; Q206-Q210 PolarHBondContact O-N 3.1Å; Q206-Q210 VanDerWaalsContact O-N 3.12Å; L207-Q210 PolarHBondContact O-N 3.37Å; L208-Q210 PolarHBondContact O-N 2.86Å
211L60.8Low64.3Low136 Ų136100.9 Ų100.971%0.71258%0.579SS**Hα-helixtrans-74.4-34.6178.5-171.767.1000112.7L207 L208 N213L207-L211 PolarHBondContact O-N 3.33Å; L207-L211 VanDerWaalsContact O-N 3.08Å; L208-L211 PolarHBondContact O-N 2.99Å; L211-N213 PolarHBondContact O-N 2.88Å; L211-N213 VanDerWaalsContact O-N 3.16Å
212E60.6Low63.1Low144 Ų144104.7 Ų104.767%0.67360%0.595SS**THydrogen-bonded Turntrans-65.7-14.9-175.9-75.6169.2163.200114.7L208L208-E212 VanDerWaalsContact O-CG 3.28Å; L208-E212 WeakPolarHBondContact O-CG 3.5Å; L208-E212 PolarHBondContact O-N 3.41Å
213N58.1Low61.9Low135 Ų135108.7 Ų108.772%0.72260%0.601SS**THydrogen-bonded Turntrans-121.47.2-169.8-66.5-80.9000114.7G209 L211G209-N213 PolarHBondContact O-ND2 2.97Å; L211-N213 PolarHBondContact O-N 2.88Å; L211-N213 VanDerWaalsContact O-N 3.16Å
214T53.1Low60.7Low107 Ų107105.7 Ų105.766%0.65658%0.582SS**  trans-107.921.8-179.457.80000114.1
215G55.3Low59.4Low65 Ų65105.5 Ų105.567%0.6759%0.588SS**PPolyproline II helixtrans-75.2124.2169.800000111
216P50.3Low58.2Low97 Ų97105.2 Ų105.263%0.6359%0.59SS**PPolyproline II helixtrans-59.2154.4166.425.8-32.5000110.3
217P53.2Low57.3Low118 Ų118100.3 Ų100.377%0.76657%0.568SS**PPolyproline II helixtrans-57.7144.4-175.824.1-34.4000111.4A219P217-A219 PolarHBondContact O-N 3.04Å
218P49.2Very low56.5Low114 Ų11499.4 Ų99.474%0.7457%0.568SS**PPolyproline II helixtrans-57.2128-169.222.6-34.4000111.5E220P218-E220 PolarHBondContact O-N 2.98Å
219A47.4Very low55.7Low50 Ų5098.6 Ų98.641%0.41357%0.567SS.*PPolyproline II helixtrans-58.3135.3178.500000110.7P217 K221 I224P217-A219 PolarHBondContact O-N 3.04Å; A219-K221 PolarHBondContact O-N 2.81Å; A219-K221 VanDerWaalsContact O-N 3.1Å; A219-I224 HydrophobicContact CB-CD1 4.32Å
220E51.5Low55.4Low142 Ų14299.4 Ų99.466%0.66457%0.566SS**PPolyproline II helixtrans-60.5117.3-179.1-67.3173.5158.300110P218 E222 K223 I224P218-E220 PolarHBondContact O-N 2.98Å; E220-E222 PolarHBondContact O-N 3.48Å; E220-K223 WeakPolarHBondContact O-CB 3.47Å; E220-K223 PolarHBondContact O-N 3.29Å; E220-I224 PolarHBondContact O-N 2.98Å
221K56.7Low55.2Low134 Ų13497.4 Ų97.458%0.58357%0.565SS**Hα-helixtrans-53.1-28.7-176.2-61.3174.4178.9-84.10112.7A219 I224 S225 E275A219-K221 PolarHBondContact O-N 2.81Å; A219-K221 VanDerWaalsContact O-N 3.1Å; K221-I224 PolarHBondContact O-N 2.85Å; K221-S225 PolarHBondContact O-N 3.18Å; K221-E275 IonicContact NZ-OE1 2.63Å; K221-E275 PolarHBondContact NZ-OE1 2.89Å; K221-E275 IonicContact NZ-OE2 3.03Å; K221-E275 PolarHBondContact NZ-OE2 3.43Å
222E53.4Low55.2Low160 Ų16091.3 Ų91.375%0.74853%0.533SS*.Hα-helixtrans-63.7-42.3174.8-59.2-171.5173.600112.3E220 S225 S226E220-E222 PolarHBondContact O-N 3.48Å; E222-S225 PolarHBondContact O-N 2.96Å; E222-S225 PolarHBondContact O-OG 3.04Å; E222-S226 PolarHBondContact O-N 3.45Å; E222-S226 VanDerWaalsContact O-N 3.07Å
223K52.6Low55.1Low145 Ų14587.6 Ų87.663%0.6352%0.52SS*.Hα-helixtrans-64.2-40.8172.6-93.8-177.8175.2176.80112E220 S225 S226E220-K223 WeakPolarHBondContact O-CB 3.47Å; E220-K223 PolarHBondContact O-N 3.29Å; K223-S225 VanDerWaalsContact C-N 3.28Å; K223-S225 PolarHBondContact O-N 2.81Å; K223-S226 PolarHBondContact O-N 3.29Å; K223-S226 VanDerWaalsContact O-N 3.1Å; K223-S226 PolarHBondContact O-OG 3.28Å
224I54.4Low54.9Low11 Ų1186.4 Ų86.46%0.05651%0.51CS..Hα-helixtrans-60.5-41.7174.4-55.7174.8000109.5A219 E220 K221 S226 L227 R257 V271 L274 E275A219-I224 HydrophobicContact CB-CD1 4.32Å; E220-I224 PolarHBondContact O-N 2.98Å; K221-I224 PolarHBondContact O-N 2.85Å; I224-S226 VanDerWaalsContact C-N 3.26Å; I224-S226 PolarHBondContact O-N 3.44Å; I224-L227 PolarHBondContact O-N 3.3Å; I224-R257 PolarHBondContact O-NH1 2.89Å; I224-V271 HydrophobicContact CG2-CG1 4.43Å; I224-V271 HydrophobicContact CG2-CG2 4.13Å; I224-L274 HydrophobicContact CG2-CB 4.46Å; I224-E275 HydrophobicContact CD1-CG 3.9Å
225S53.5Low55.1Low83 Ų8388.5 Ų88.558%0.5851%0.513SS*.Hα-helixtrans-65.2-25.5176.580.30000114.2K221 E222 K223K221-S225 PolarHBondContact O-N 3.18Å; E222-S225 PolarHBondContact O-N 2.96Å; E222-S225 PolarHBondContact O-OG 3.04Å; K223-S225 VanDerWaalsContact C-N 3.28Å; K223-S225 PolarHBondContact O-N 2.81Å
226S53.3Low55.2Low92 Ų9288.6 Ų88.664%0.64350%0.496SS*.THydrogen-bonded Turntrans-83.3-3.8-179.775.70000115.5E222 K223 I224E222-S226 PolarHBondContact O-N 3.45Å; E222-S226 VanDerWaalsContact O-N 3.07Å; K223-S226 PolarHBondContact O-N 3.29Å; K223-S226 VanDerWaalsContact O-N 3.1Å; K223-S226 PolarHBondContact O-OG 3.28Å; I224-S226 VanDerWaalsContact C-N 3.26Å; I224-S226 PolarHBondContact O-N 3.44Å
227L59.8Low55.5Low35 Ų3585 Ų8518%0.18347%0.474CS..SBendtrans-61.4137.7177.8-69.8173.9000111.1I224 T229 L274 L287I224-L227 PolarHBondContact O-N 3.3Å; L227-T229 PolarHBondContact O-N 3.18Å; L227-L274 HydrophobicContact CD1-CD1 3.7Å; L227-L287 HydrophobicContact CD1-CD1 4.23Å
228P56.6Low55.4Low82 Ų8283.8 Ų83.853%0.53246%0.461SS..  trans-61.3109.5-176.525.3-33.8000110.2V230P228-V230 PolarHBondContact O-N 2.83Å
229T56.6Low55.8Low73 Ų7380 Ų8045%0.44844%0.437SS..EExtended strand (participates in β ladder)trans-84.1112.3170.5-56.40000106.8L227 P255 V256L227-T229 PolarHBondContact O-N 3.18Å; T229-P255 HydrophobicContact CG2-CB 3.58Å; T229-V256 CarbonylContact C-O 3.55Å; T229-V256 WeakPolarHBondContact CA-O 3.37Å; T229-V256 WeakPolarHBondContact CG2-O 3.28Å
230V63.5Low56.1Low47 Ų4779.4 Ų79.429%0.28543%0.429SS..EExtended strand (participates in β ladder)trans-103.8125.4-178.9-179.60000106.7P228 V256 Q258P228-V230 PolarHBondContact O-N 2.83Å; V230-V256 PolarHBondContact N-O 2.88Å; V230-V256 WeakPolarHBondContact O-CG2 3.42Å; V230-V256 PolarHBondContact O-N 3.06Å; V230-V256 VanDerWaalsContact O-O 3.06Å; V230-Q258 HydrophobicContact CG2-CB 4.26Å
231S59.4Low56.8Low75 Ų7576.7 Ų76.752%0.52442%0.418SS..EExtended strand (participates in β ladder)trans-75.3128.6172.254.30000109.9T233S231-T233 PolarHBondContact O-N 3Å
232I60Low57.9Low9 Ų974.7 Ų74.75%0.04641%0.41CS..PPolyproline II helixtrans-54.7124.8174.1-68.4130.4000110.3Q236 A237 F250 A251 G253 E254 V256I232-Q236 HydrophobicContact CG2-CB 4.15Å; I232-A237 HydrophobicContact CG2-CB 3.87Å; I232-F250 HydrophobicContact CD1-CB 3.6Å; I232-F250 HydrophobicContact CD1-CD1 3.98Å; I232-F250 HydrophobicContact CD1-CG 3.93Å; I232-F250 HydrophobicContact CG1-CB 4.17Å; I232-F250 HydrophobicContact CG1-CG 4.47Å; I232-A251 WeakPolarHBondContact CD1-O 3.31Å; I232-G253 PolarHBondContact O-N 3.08Å; I232-E254 HydrophobicContact CD1-CB 3.92Å; I232-V256 HydrophobicContact CD1-CB 4.28Å; I232-V256 HydrophobicContact CD1-CG1 3.43Å; I232-V256 VanDerWaalsContact CD1-CG1 3.43Å; I232-V256 HydrophobicContact CD1-CG2 3.94Å; I232-V256 HydrophobicContact CG1-CG1 4.06Å; I232-V256 HydrophobicContact CG1-CG2 3.69Å
233T59.8Low59.3Low66 Ų6667 Ų6741%0.40538%0.375SS..PPolyproline II helixtrans-78.2153.1166.961.70000110S231 E235 Q236 A237S231-T233 PolarHBondContact O-N 3Å; T233-E235 PolarHBondContact O-N 3.36Å; T233-E235 VanDerWaalsContact O-N 3.09Å; T233-Q236 PolarHBondContact O-N 3.33Å; T233-A237 PolarHBondContact O-N 3.14Å
234Q54Low60.6Low110 Ų11063.3 Ų63.351%0.51437%0.365SS..Hα-helixtrans-47.7-41.6178.7-171.376.35200112Q236 A237 D238Q234-Q236 VanDerWaalsContact C-N 3.3Å; Q234-Q236 PolarHBondContact O-N 3.27Å; Q234-A237 PolarHBondContact O-N 3.39Å; Q234-D238 WeakPolarHBondContact O-CB 3.42Å; Q234-D238 PolarHBondContact O-N 3.38Å
235E57.2Low61.9Low150 Ų15066 Ų6670%0.70138%0.382SS*.Hα-helixtrans-60.1-33.1179.4-58.9163.3-122.100113.6T233 C239T233-E235 PolarHBondContact O-N 3.36Å; T233-E235 VanDerWaalsContact O-N 3.09Å; E235-C239 PolarHBondContact O-SG 3.16Å
236Q56.5Low63.2Low67 Ų6764.1 Ų64.131%0.31337%0.369SS..Hα-helixtrans-83.4-31.6179.2-67.4-179.1-51.600112.4I232 T233 Q234 C239I232-Q236 HydrophobicContact CG2-CB 4.15Å; T233-Q236 PolarHBondContact O-N 3.33Å; Q234-Q236 VanDerWaalsContact C-N 3.3Å; Q234-Q236 PolarHBondContact O-N 3.27Å; Q236-C239 PolarHBondContact O-N 2.93Å
237A56.7Low64.5Low21 Ų2166.7 Ų66.717%0.17437%0.368CS..Hα-helixtrans-67.7-41.3170.300000111.2I232 T233 Q234 C239 C240 V252I232-A237 HydrophobicContact CG2-CB 3.87Å; T233-A237 PolarHBondContact O-N 3.14Å; Q234-A237 PolarHBondContact O-N 3.39Å; A237-C239 PolarHBondContact O-N 3.19Å; A237-C239 VanDerWaalsContact O-N 3.12Å; A237-C240 PolarHBondContact O-N 2.97Å; A237-V252 HydrophobicContact CB-CG2 3.7Å
238D51.9Low65.4Low94 Ų9470.7 Ų70.750%0.50339%0.386SS..THydrogen-bonded Turntrans-64.2-15.6177.6-67.9-12.1000113.1Q234 C240Q234-D238 WeakPolarHBondContact O-CB 3.42Å; Q234-D238 PolarHBondContact O-N 3.38Å; D238-C240 VanDerWaalsContact C-N 3.32Å
239C56Low66.5Low35 Ų3571.5 Ų71.524%0.23639%0.386CS..THydrogen-bonded Turntrans-85.14.7172.3-68.10000114.3C16 E235 Q236 A237 M241C16-C239 CarbonylContact O-C 3.51Å; C16-C239 VanDerWaalsContact O-C 3.27Å; E235-C239 PolarHBondContact O-SG 3.16Å; Q236-C239 PolarHBondContact O-N 2.93Å; A237-C239 PolarHBondContact O-N 3.19Å; A237-C239 VanDerWaalsContact O-N 3.12Å; C239-M241 VanDerWaalsContact C-N 3.34Å; C239-M241 HydrophobicContact CB-CG 4.42Å; C239-M241 PolarHBondContact O-N 2.9Å
240C54.7Low67.5Low37 Ų3768.7 Ų68.725%0.2537%0.367CS..THydrogen-bonded Turntrans53.645.6178.9-57.40000113.8C16 K18 A237 D238 E242C16-C240 WeakPolarHBondContact O-CB 3.44Å; C16-C240 PolarHBondContact O-SG 2.73Å; K18-C240 HydrophobicContact CD-CB 4.49Å; K18-C240 WeakPolarHBondContact CD-SG 3.45Å; K18-C240 WeakPolarHBondContact CE-SG 3.45Å; A237-C240 PolarHBondContact O-N 2.97Å; D238-C240 VanDerWaalsContact C-N 3.32Å; C240-E242 PolarHBondContact O-N 2.69Å
241M65.6Low67.9Low85 Ų8569 Ų6942%0.41937%0.374SS..PPolyproline II helixtrans-70.9119172.1-65.8-71.4-72.700109C239 F250 F264C239-M241 VanDerWaalsContact C-N 3.34Å; C239-M241 HydrophobicContact CB-CG 4.42Å; C239-M241 PolarHBondContact O-N 2.9Å; M241-F250 HydrophobicContact CB-CD2 3.62Å; M241-F250 HydrophobicContact CB-CE2 4.05Å; M241-F250 WeakPolarHBondContact O-CD2 3.18Å; M241-F250 PolarHBondContact O-N 2.91Å; M241-F264 HydrophobicContact CE-CD2 3.94Å
242E79.8Confident68.4Low91 Ų9169.2 Ų69.243%0.42537%0.372SS..BIsolated β-bridgetrans-97.3142.9175.8-179.2-169.6126.300109.6C240 P244 K247C240-E242 PolarHBondContact O-N 2.69Å; E242-P244 VanDerWaalsContact O-CD 3.3Å; E242-P244 WeakPolarHBondContact O-CD 3.46Å; E242-K247 WeakPolarHBondContact OE1-CA 3.29Å; E242-K247 WeakPolarHBondContact OE1-CB 3.47Å; E242-K247 IonicContact OE1-NZ 3.89Å; E242-K247 PolarHBondContact OE1-NZ 3.12Å
243C82.8Confident68.7Low0 Ų071.3 Ų71.30%040%0.396CS..PPolyproline II helixtrans-74.5119.1169.4-174.70000111.1V245 K247 E248 F250 H266C243-V245 PolarHBondContact O-N 2.96Å; C243-K247 WeakPolarHBondContact O-CA 3.41Å; C243-K247 PolarHBondContact O-N 2.56Å; C243-E248 PolarHBondContact N-O 3.36Å; C243-F250 HydrophobicContact CB-CE1 3.7Å; C243-F250 HydrophobicContact CB-CZ 3.65Å; C243-H266 WeakPolarHBondContact CB-CE1 3.21Å; C243-H266 VanDerWaalsContact CB-ND1 3.32Å; C243-H266 WeakPolarHBondContact CB-ND1 3.28Å
244P81.1Confident69.3Low66 Ų6671.2 Ų71.243%0.42939%0.391SS..THydrogen-bonded Turntrans-63-12.9-175.8-24.334.8000115.7E242 F265 V282E242-P244 VanDerWaalsContact O-CD 3.3Å; E242-P244 WeakPolarHBondContact O-CD 3.46Å; P244-F265 HydrophobicContact CB-CE1 4.33Å; P244-F265 HydrophobicContact CG-CD1 4.49Å; P244-F265 HydrophobicContact CG-CE1 3.98Å; P244-V282 HydrophobicContact CB-CG2 4.29Å; P244-V282 HydrophobicContact CG-CG2 4.01Å
245V80.9Confident70.2Confident67 Ų6769.1 Ų69.141%0.40639%0.387SS..THydrogen-bonded Turntrans-93.2-51.4-175.2-179.80000111.9C243 F265 C269C243-V245 PolarHBondContact O-N 2.96Å; V245-F265 HydrophobicContact CG2-CD1 3.95Å; V245-F265 HydrophobicContact CG2-CE1 4.27Å; V245-C269 HydrophobicContact CB-CB 3.95Å; V245-C269 HydrophobicContact CG1-CB 3.9Å
246C81Confident71.2Confident45 Ų4562 Ų6230%0.30435%0.354SS..THydrogen-bonded Turntrans-96.8-13.217962.20000114.5E248 H266C246-E248 HydrophobicContact CB-CG 4.38Å; C246-E248 PolarHBondContact SG-OE2 3.05Å; C246-H266 PolarHBondContact SG-CE1 2.91Å; C246-H266 PolarHBondContact SG-ND1 3.04Å
247K81.2Confident72.1Confident146 Ų14660.1 Ų60.164%0.63534%0.344SS*.  trans65.832.8-178-48.6-167.1146.7-64.80115E242 C243E242-K247 WeakPolarHBondContact OE1-CA 3.29Å; E242-K247 WeakPolarHBondContact OE1-CB 3.47Å; E242-K247 IonicContact OE1-NZ 3.89Å; E242-K247 PolarHBondContact OE1-NZ 3.12Å; C243-K247 WeakPolarHBondContact O-CA 3.41Å; C243-K247 PolarHBondContact O-N 2.56Å
248E78.4Confident73.3Confident118 Ų11861.7 Ų61.755%0.55135%0.348SS*.  trans-109.4141.8179.2-63.9167.3145.900110.4C243 C246C243-E248 PolarHBondContact N-O 3.36Å; C246-E248 HydrophobicContact CB-CG 4.38Å; C246-E248 PolarHBondContact SG-OE2 3.05Å
249D79.4Confident74.6Confident100 Ų10057.4 Ų57.454%0.53533%0.325SS..BIsolated β-bridgetrans-66.7132.7172.4-77-44.5000109.5K18K18-D249 IonicContact NZ-OD1 3.61Å; K18-D249 IonicContact NZ-OD2 2.74Å
250F77Confident75.5Confident14 Ų1459.9 Ų59.96%0.06134%0.341CS..PPolyproline II helixtrans-66.4128.9-179.6-75.3-52.9000113.6I232 M241 C243 V256 F264 H266I232-F250 HydrophobicContact CD1-CB 3.6Å; I232-F250 HydrophobicContact CD1-CD1 3.98Å; I232-F250 HydrophobicContact CD1-CG 3.93Å; I232-F250 HydrophobicContact CG1-CB 4.17Å; I232-F250 HydrophobicContact CG1-CG 4.47Å; M241-F250 HydrophobicContact CB-CD2 3.62Å; M241-F250 HydrophobicContact CB-CE2 4.05Å; M241-F250 WeakPolarHBondContact O-CD2 3.18Å; M241-F250 PolarHBondContact O-N 2.91Å; C243-F250 HydrophobicContact CB-CE1 3.7Å; C243-F250 HydrophobicContact CB-CZ 3.65Å; F250-V256 HydrophobicContact CD1-CG1 3.37Å; F250-V256 HydrophobicContact CE1-CG1 3.3Å; F250-V256 HydrophobicContact CG-CG1 4.21Å; F250-V256 HydrophobicContact CZ-CG1 4.08Å; F250-F264 HydrophobicContact CE2-CB 4.19Å; F250-F264 HydrophobicContact CZ-CB 4.26Å; F250-H266 AromaticContact CD1-CD2 3.57Å; F250-H266 AromaticContact CD1-CE1 3.87Å; F250-H266 AromaticContact CD1-NE2 3.12Å; F250-H266 WeakPolarHBondContact CD1-NE2 3.29Å; F250-H266 AromaticContact CE1-CD2 3.54Å; F250-H266 AromaticContact CE1-CE1 3.76Å; F250-H266 AromaticContact CE1-CG 3.97Å; F250-H266 AromaticContact CE1-NE2 3.35Å; F250-H266 WeakPolarHBondContact CE1-NE2 3.46Å
251A72.2Confident76.5Confident52 Ų5259.6 Ų59.643%0.4334%0.338SS..PPolyproline II helixtrans-85.6146.9177.800000113.5I232 G253 E254I232-A251 WeakPolarHBondContact CD1-O 3.31Å; A251-G253 PolarHBondContact O-N 2.72Å; A251-E254 HydrophobicContact CB-CB 4.24Å; A251-E254 WeakPolarHBondContact CB-OE2 3.35Å; A251-E254 PolarHBondContact N-OE2 3.35Å; A251-E254 WeakPolarHBondContact O-CB 3.29Å; A251-E254 PolarHBondContact O-N 3.17Å
252V70.2Confident76.9Confident80 Ų8060.8 Ų60.849%0.48535%0.347SS..THydrogen-bonded Turntrans-63.4123.4179.7-177.90000110.7A237A237-V252 HydrophobicContact CB-CG2 3.7Å
253G66.7Low77Confident53 Ų5359 Ų5955%0.54634%0.338SS..THydrogen-bonded Turntrans844.7-17700000115.2I232 A251I232-G253 PolarHBondContact O-N 3.08Å; A251-G253 PolarHBondContact O-N 2.72Å
254E72.4Confident76.9Confident65 Ų6560.9 Ų60.930%0.30435%0.346SS..  trans-72.5144.3175.9-165.4173.7-179.200112I232 A251 V256 H266I232-E254 HydrophobicContact CD1-CB 3.92Å; A251-E254 HydrophobicContact CB-CB 4.24Å; A251-E254 WeakPolarHBondContact CB-OE2 3.35Å; A251-E254 PolarHBondContact N-OE2 3.35Å; A251-E254 WeakPolarHBondContact O-CB 3.29Å; A251-E254 PolarHBondContact O-N 3.17Å; E254-V256 PolarHBondContact O-N 3.5Å; E254-V256 VanDerWaalsContact O-N 3.09Å; E254-H266 IonicContact OE1-CD2 3.85Å; E254-H266 PolarHBondContact OE1-CD2 2.97Å; E254-H266 IonicContact OE1-NE2 3.55Å; E254-H266 IonicContact OE2-CD2 3.64Å; E254-H266 IonicContact OE2-NE2 3.16Å
255P71.8Confident77Confident65 Ų6557.7 Ų57.742%0.42233%0.326SS..EExtended strand (participates in β ladder)trans-77.791.6179.230.7-35.8000112.3T229 S267T229-P255 HydrophobicContact CG2-CB 3.58Å; P255-S267 PolarHBondContact O-N 3.3Å
256V78.6Confident77.1Confident1 Ų155 Ų551%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-88.8153.6166.9-66.60000112.2T229 V230 I232 F250 E254 F264 F265T229-V256 CarbonylContact C-O 3.55Å; T229-V256 WeakPolarHBondContact CA-O 3.37Å; T229-V256 WeakPolarHBondContact CG2-O 3.28Å; V230-V256 PolarHBondContact N-O 2.88Å; V230-V256 WeakPolarHBondContact O-CG2 3.42Å; V230-V256 PolarHBondContact O-N 3.06Å; V230-V256 VanDerWaalsContact O-O 3.06Å; I232-V256 HydrophobicContact CD1-CB 4.28Å; I232-V256 HydrophobicContact CD1-CG1 3.43Å; I232-V256 VanDerWaalsContact CD1-CG1 3.43Å; I232-V256 HydrophobicContact CD1-CG2 3.94Å; I232-V256 HydrophobicContact CG1-CG1 4.06Å; I232-V256 HydrophobicContact CG1-CG2 3.69Å; F250-V256 HydrophobicContact CD1-CG1 3.37Å; F250-V256 HydrophobicContact CE1-CG1 3.3Å; F250-V256 HydrophobicContact CG-CG1 4.21Å; F250-V256 HydrophobicContact CZ-CG1 4.08Å; E254-V256 PolarHBondContact O-N 3.5Å; E254-V256 VanDerWaalsContact O-N 3.09Å; V256-F264 HydrophobicContact CG2-CD1 4.26Å; V256-F265 CarbonylContact C-O 3.56Å; V256-F265 VanDerWaalsContact CA-O 3.27Å; V256-F265 WeakPolarHBondContact CA-O 3.34Å; V256-F265 WeakPolarHBondContact CB-O 3.42Å
257R76.5Confident76.9Confident27 Ų2753.9 Ų53.910%0.10230%0.301CS..EExtended strand (participates in β ladder)trans-106.8126.9173.4-66.9179.7169.3-129.5-10.4108.8I224 F265 I270I224-R257 PolarHBondContact O-NH1 2.89Å; R257-F265 PolarHBondContact N-O 3.42Å; R257-F265 PolarHBondContact O-N 2.96Å; R257-I270 HydrophobicContact CB-CG2 3.98Å; R257-I270 HydrophobicContact CG-CG2 4.28Å
258Q81.8Confident76.9Confident54 Ų5453.3 Ų53.325%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-95.4123.9173.2-174.2177.6-1.600108.9V230 N262 F264V230-Q258 HydrophobicContact CG2-CB 4.26Å; Q258-N262 PolarHBondContact NE2-OD1 3.12Å; Q258-F264 HydrophobicContact CB-CD1 4.05Å; Q258-F264 HydrophobicContact CB-CE1 3.91Å; Q258-F264 HydrophobicContact CG-CD1 4.18Å; Q258-F264 HydrophobicContact CG-CE1 3.73Å; Q258-F264 HydrophobicContact CG-CZ 4.17Å
259L78.6Confident77Confident4 Ų449 Ų492%0.02129%0.288CS..  trans-80.2158.5172.3-83.668.3000110.4C261 N262 H263 F265 I270 C280 L287L259-C261 VanDerWaalsContact CB-SG 3.53Å; L259-C261 PolarHBondContact O-N 3.26Å; L259-N262 PolarHBondContact O-N 3.31Å; L259-H263 PolarHBondContact N-O 3.41Å; L259-F265 HydrophobicContact CD1-CD2 3.61Å; L259-F265 HydrophobicContact CD1-CE2 3.78Å; L259-F265 HydrophobicContact CD2-CE2 4.16Å; L259-F265 HydrophobicContact CG-CE2 4.5Å; L259-I270 HydrophobicContact CD1-CG1 4.03Å; L259-C280 HydrophobicContact CD2-CB 3.69Å; L259-L287 HydrophobicContact CB-CD2 4.32Å; L259-L287 HydrophobicContact CD2-CD2 3.72Å; L259-L287 HydrophobicContact CG-CD2 3.7Å
260P74.7Confident77.2Confident88 Ų8844.2 Ų44.257%0.57126%0.262SS*.THydrogen-bonded Turntrans-58.7-15.5175.824.2-35.1000113.9N262 L287P260-N262 VanDerWaalsContact C-N 3.34Å; P260-L287 HydrophobicContact CG-CD2 4.13Å
261C75.8Confident77.4Confident30 Ų3045.4 Ų45.420%0.20327%0.271CS..THydrogen-bonded Turntrans-89.415.3172.460.30000114.6L259 H263 C283L259-C261 VanDerWaalsContact CB-SG 3.53Å; L259-C261 PolarHBondContact O-N 3.26Å; C261-H263 VanDerWaalsContact C-N 3.25Å; C261-H263 PolarHBondContact O-CE1 3.25Å; C261-H263 PolarHBondContact O-N 3.02Å; C261-H263 PolarHBondContact O-ND1 3.38Å; C261-H263 PolarHBondContact SG-ND1 3.13Å; C261-C283 WeakPolarHBondContact CB-SG 3.44Å
262N75.1Confident77.9Confident110 Ų11046.1 Ų46.159%0.58827%0.271SS*.SBendtrans60.621.6179.7-61-50.6000116.4Q258 L259 P260Q258-N262 PolarHBondContact NE2-OD1 3.12Å; L259-N262 PolarHBondContact O-N 3.31Å; P260-N262 VanDerWaalsContact C-N 3.34Å
263H81.1Confident78.5Confident53 Ų5344.9 Ų44.925%0.24526%0.257CS..  trans-91.9140.1171.1-65.485.6000110.8L259 C261 F265 V282L259-H263 PolarHBondContact N-O 3.41Å; C261-H263 VanDerWaalsContact C-N 3.25Å; C261-H263 PolarHBondContact O-CE1 3.25Å; C261-H263 PolarHBondContact O-N 3.02Å; C261-H263 PolarHBondContact O-ND1 3.38Å; C261-H263 PolarHBondContact SG-ND1 3.13Å; H263-F265 HydrophobicContact CB-CE2 3.53Å; H263-F265 HydrophobicContact CB-CZ 3.84Å; H263-V282 VanDerWaalsContact NE2-CG1 3.29Å; H263-V282 WeakPolarHBondContact NE2-CG1 3.36Å
264F81.1Confident79.1Confident40 Ų4042.5 Ų42.518%0.17523%0.232CC..EExtended strand (participates in β ladder)trans-108.7138.5-177.6-59.2-85.9000111M241 F250 V256 Q258M241-F264 HydrophobicContact CE-CD2 3.94Å; F250-F264 HydrophobicContact CE2-CB 4.19Å; F250-F264 HydrophobicContact CZ-CB 4.26Å; V256-F264 HydrophobicContact CG2-CD1 4.26Å; Q258-F264 HydrophobicContact CB-CD1 4.05Å; Q258-F264 HydrophobicContact CB-CE1 3.91Å; Q258-F264 HydrophobicContact CG-CD1 4.18Å; Q258-F264 HydrophobicContact CG-CE1 3.73Å; Q258-F264 HydrophobicContact CG-CZ 4.17Å
265F82Confident79.3Confident0 Ų043.2 Ų43.20%024%0.236CC..EExtended strand (participates in β ladder)trans-147.3153.5177.6-53.6-89.8000110.6P244 V245 V256 R257 L259 H263 I270 P281 V282P244-F265 HydrophobicContact CB-CE1 4.33Å; P244-F265 HydrophobicContact CG-CD1 4.49Å; P244-F265 HydrophobicContact CG-CE1 3.98Å; V245-F265 HydrophobicContact CG2-CD1 3.95Å; V245-F265 HydrophobicContact CG2-CE1 4.27Å; V256-F265 CarbonylContact C-O 3.56Å; V256-F265 VanDerWaalsContact CA-O 3.27Å; V256-F265 WeakPolarHBondContact CA-O 3.34Å; V256-F265 WeakPolarHBondContact CB-O 3.42Å; R257-F265 PolarHBondContact N-O 3.42Å; R257-F265 PolarHBondContact O-N 2.96Å; L259-F265 HydrophobicContact CD1-CD2 3.61Å; L259-F265 HydrophobicContact CD1-CE2 3.78Å; L259-F265 HydrophobicContact CD2-CE2 4.16Å; L259-F265 HydrophobicContact CG-CE2 4.5Å; H263-F265 HydrophobicContact CB-CE2 3.53Å; H263-F265 HydrophobicContact CB-CZ 3.84Å; F265-I270 HydrophobicContact CB-CB 3.7Å; F265-I270 HydrophobicContact CB-CD1 4.41Å; F265-I270 HydrophobicContact CB-CG1 4.11Å; F265-I270 HydrophobicContact CB-CG2 4.17Å; F265-I270 HydrophobicContact CD1-CD1 4.28Å; F265-I270 HydrophobicContact CD2-CB 4.49Å; F265-I270 HydrophobicContact CD2-CD1 3.84Å; F265-I270 HydrophobicContact CD2-CG1 3.95Å; F265-I270 HydrophobicContact CE2-CD1 4.13Å; F265-I270 HydrophobicContact CG-CB 4.18Å; F265-I270 HydrophobicContact CG-CD1 3.92Å; F265-I270 HydrophobicContact CG-CG1 4.08Å; F265-I270 HydrophobicContact CZ-CD1 4.48Å; F265-P281 HydrophobicContact CE1-CG 3.6Å; F265-P281 HydrophobicContact CZ-CG 3.6Å; F265-V282 HydrophobicContact CE1-CG2 4.15Å; F265-V282 HydrophobicContact CZ-CG2 3.91Å
266H83.3Confident79.2Confident11 Ų1146.4 Ų46.45%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-58.2143.5167.7-59.7120.6000110.7C243 C246 F250 E254 D268 C269 I270C243-H266 WeakPolarHBondContact CB-CE1 3.21Å; C243-H266 VanDerWaalsContact CB-ND1 3.32Å; C243-H266 WeakPolarHBondContact CB-ND1 3.28Å; C246-H266 PolarHBondContact SG-CE1 2.91Å; C246-H266 PolarHBondContact SG-ND1 3.04Å; F250-H266 AromaticContact CD1-CD2 3.57Å; F250-H266 AromaticContact CD1-CE1 3.87Å; F250-H266 AromaticContact CD1-NE2 3.12Å; F250-H266 WeakPolarHBondContact CD1-NE2 3.29Å; F250-H266 AromaticContact CE1-CD2 3.54Å; F250-H266 AromaticContact CE1-CE1 3.76Å; F250-H266 AromaticContact CE1-CG 3.97Å; F250-H266 AromaticContact CE1-NE2 3.35Å; F250-H266 WeakPolarHBondContact CE1-NE2 3.46Å; E254-H266 IonicContact OE1-CD2 3.85Å; E254-H266 PolarHBondContact OE1-CD2 2.97Å; E254-H266 IonicContact OE1-NE2 3.55Å; E254-H266 IonicContact OE2-CD2 3.64Å; E254-H266 IonicContact OE2-NE2 3.16Å; H266-D268 PolarHBondContact O-N 2.91Å; H266-C269 HydrophobicContact CB-CB 4.08Å; H266-C269 PolarHBondContact O-N 3.47Å; H266-I270 WeakPolarHBondContact O-CG2 3.35Å; H266-I270 PolarHBondContact O-N 3.26Å
267S78.3Confident79.1Confident20 Ų2050.7 Ų50.714%0.1427%0.266CS..Hα-helixtrans-52.1-43.3176.853.90000112.6P255 V271P255-S267 PolarHBondContact O-N 3.3Å; S267-V271 WeakPolarHBondContact O-CB 3.07Å; S267-V271 WeakPolarHBondContact O-CG2 3.47Å; S267-V271 PolarHBondContact O-N 3.09Å
268D79.6Confident79.2Confident134 Ų13452 Ų5272%0.71728%0.275SS*.Hα-helixtrans-77.9-24.9-173.8-57.8-20.8000112.6H266 P272H266-D268 PolarHBondContact O-N 2.91Å; D268-P272 WeakPolarHBondContact O-CD 3.36Å; D268-P272 WeakPolarHBondContact O-CG 3.34Å
269C81.6Confident79.2Confident28 Ų2851.2 Ų51.219%0.18927%0.274CS..Hα-helixtrans-78.7-38.8177.5-70.40000112.6V245 H266V245-C269 HydrophobicContact CB-CB 3.95Å; V245-C269 HydrophobicContact CG1-CB 3.9Å; H266-C269 HydrophobicContact CB-CB 4.08Å; H266-C269 PolarHBondContact O-N 3.47Å
270I82.9Confident79.4Confident0 Ų051 Ų510%027%0.273CS..Hα-helixtrans-91.8-24.9-172-162.658000113.6R257 L259 F265 H266 W273 L274 P281R257-I270 HydrophobicContact CB-CG2 3.98Å; R257-I270 HydrophobicContact CG-CG2 4.28Å; L259-I270 HydrophobicContact CD1-CG1 4.03Å; F265-I270 HydrophobicContact CB-CB 3.7Å; F265-I270 HydrophobicContact CB-CD1 4.41Å; F265-I270 HydrophobicContact CB-CG1 4.11Å; F265-I270 HydrophobicContact CB-CG2 4.17Å; F265-I270 HydrophobicContact CD1-CD1 4.28Å; F265-I270 HydrophobicContact CD2-CB 4.49Å; F265-I270 HydrophobicContact CD2-CD1 3.84Å; F265-I270 HydrophobicContact CD2-CG1 3.95Å; F265-I270 HydrophobicContact CE2-CD1 4.13Å; F265-I270 HydrophobicContact CG-CB 4.18Å; F265-I270 HydrophobicContact CG-CD1 3.92Å; F265-I270 HydrophobicContact CG-CG1 4.08Å; F265-I270 HydrophobicContact CZ-CD1 4.48Å; H266-I270 WeakPolarHBondContact O-CG2 3.35Å; H266-I270 PolarHBondContact O-N 3.26Å; I270-W273 HydrophobicContact CD1-CB 4.32Å; I270-W273 HydrophobicContact CD1-CG 4.4Å; I270-W273 PolarHBondContact O-N 2.87Å; I270-L274 HydrophobicContact CD1-CG 4.35Å; I270-L274 HydrophobicContact CG1-CD1 3.87Å; I270-L274 HydrophobicContact CG1-CG 4.05Å; I270-L274 WeakPolarHBondContact O-CB 3.45Å; I270-L274 VanDerWaalsContact O-CG 3.29Å; I270-L274 WeakPolarHBondContact O-CG 3.33Å; I270-L274 PolarHBondContact O-N 3.47Å; I270-P281 HydrophobicContact CD1-CG 4.28Å
271V80.9Confident79.7Confident39 Ų3948.9 Ų48.924%0.23626%0.259CS..Hα-helixtrans-61.9-50.9178.5165.10000112I224 S267 W273 L274 E275I224-V271 HydrophobicContact CG2-CG1 4.43Å; I224-V271 HydrophobicContact CG2-CG2 4.13Å; S267-V271 WeakPolarHBondContact O-CB 3.07Å; S267-V271 WeakPolarHBondContact O-CG2 3.47Å; S267-V271 PolarHBondContact O-N 3.09Å; V271-W273 VanDerWaalsContact C-N 3.27Å; V271-W273 PolarHBondContact O-N 3.37Å; V271-L274 PolarHBondContact O-N 3.44Å; V271-E275 WeakPolarHBondContact O-CG 3.43Å; V271-E275 PolarHBondContact O-N 2.77Å
272P83.4Confident80Confident66 Ų6651 Ų5143%0.42927%0.271SS..Hα-helixtrans-60.6-36.8177.2-22.734.1000112.7D268 E275 M276D268-P272 WeakPolarHBondContact O-CD 3.36Å; D268-P272 WeakPolarHBondContact O-CG 3.34Å; P272-E275 PolarHBondContact O-N 3.28Å; P272-M276 VanDerWaalsContact O-CE 3.28Å; P272-M276 WeakPolarHBondContact O-CE 3.48Å
273W83.1Confident80.1Confident54 Ų5448.3 Ų48.321%0.20526%0.26CS..Hα-helixtrans-61.7-48.5175.2-177.7-87.8000111.5L70 I270 V271 E275 M276 H277 T279 P281L70-W273 HydrophobicContact CD2-CZ3 4.27Å; I270-W273 HydrophobicContact CD1-CB 4.32Å; I270-W273 HydrophobicContact CD1-CG 4.4Å; I270-W273 PolarHBondContact O-N 2.87Å; V271-W273 VanDerWaalsContact C-N 3.27Å; V271-W273 PolarHBondContact O-N 3.37Å; W273-E275 VanDerWaalsContact C-N 3.27Å; W273-E275 PolarHBondContact O-N 3.17Å; W273-M276 PolarHBondContact O-N 3.09Å; W273-H277 HydrophobicContact CZ2-CB 4.48Å; W273-H277 AromaticContact CZ2-CD2 3.98Å; W273-H277 PolarHBondContact O-N 2.91Å; W273-T279 PolarHBondContact NE1-O 3.42Å; W273-P281 HydrophobicContact CD2-CB 4.43Å; W273-P281 HydrophobicContact CH2-CB 4.48Å; W273-P281 HydrophobicContact CZ2-CB 3.9Å
274L78.4Confident80.1Confident4 Ų455.9 Ų55.92%0.02129%0.287CS..Hα-helixtrans-70.5-17.2-179.7-68.3175.9000114.5I224 L227 I270 V271 M276 H277 L287I224-L274 HydrophobicContact CG2-CB 4.46Å; L227-L274 HydrophobicContact CD1-CD1 3.7Å; I270-L274 HydrophobicContact CD1-CG 4.35Å; I270-L274 HydrophobicContact CG1-CD1 3.87Å; I270-L274 HydrophobicContact CG1-CG 4.05Å; I270-L274 WeakPolarHBondContact O-CB 3.45Å; I270-L274 VanDerWaalsContact O-CG 3.29Å; I270-L274 WeakPolarHBondContact O-CG 3.33Å; I270-L274 PolarHBondContact O-N 3.47Å; V271-L274 PolarHBondContact O-N 3.44Å; L274-M276 VanDerWaalsContact C-N 3.32Å; L274-H277 WeakPolarHBondContact CA-O 2.98Å; L274-L287 HydrophobicContact CD1-CD1 3.88Å; L274-L287 HydrophobicContact CD2-CD1 3.58Å; L274-L287 HydrophobicContact CD2-CD2 4.34Å; L274-L287 HydrophobicContact CD2-CG 4Å; L274-L287 HydrophobicContact CG-CD1 4.27Å
275E76.4Confident79.9Confident80 Ų8058.1 Ų58.137%0.37430%0.299SS..Hα-helixtrans-74-22.7168.7-68-161.4153.700113K221 I224 V271 P272 W273K221-E275 IonicContact NZ-OE1 2.63Å; K221-E275 PolarHBondContact NZ-OE1 2.89Å; K221-E275 IonicContact NZ-OE2 3.03Å; K221-E275 PolarHBondContact NZ-OE2 3.43Å; I224-E275 HydrophobicContact CD1-CG 3.9Å; V271-E275 WeakPolarHBondContact O-CG 3.43Å; V271-E275 PolarHBondContact O-N 2.77Å; P272-E275 PolarHBondContact O-N 3.28Å; W273-E275 VanDerWaalsContact C-N 3.27Å; W273-E275 PolarHBondContact O-N 3.17Å
276M71Confident79.6Confident131 Ų13158.7 Ų58.765%0.64530%0.303SS*.Hα-helixtrans-104-35.2-179.7-63.7-176.9-76.100112.9P272 W273 L274P272-M276 VanDerWaalsContact O-CE 3.28Å; P272-M276 WeakPolarHBondContact O-CE 3.48Å; W273-M276 PolarHBondContact O-N 3.09Å; L274-M276 VanDerWaalsContact C-N 3.32Å
277H76.2Confident79Confident92 Ų9260.1 Ų60.143%0.42631%0.311SS..  trans-140.8116.4-174-59.6-45.4000110.3W273 L274 T279W273-H277 HydrophobicContact CZ2-CB 4.48Å; W273-H277 AromaticContact CZ2-CD2 3.98Å; W273-H277 PolarHBondContact O-N 2.91Å; L274-H277 WeakPolarHBondContact CA-O 2.98Å; H277-T279 PolarHBondContact O-N 3.16Å
278D77.4Confident78.4Confident53 Ų5364.8 Ų64.828%0.28333%0.334SS..SBendtrans-71.311176.969.9-54.3000113.8S286 L287D278-S286 CarbonylContact O-C 3.58Å; D278-S286 WeakPolarHBondContact O-CA 3.27Å; D278-S286 WeakPolarHBondContact OD2-CB 3.47Å; D278-S286 PolarHBondContact OD2-OG 2.98Å; D278-L287 WeakPolarHBondContact O-CG 3.2Å; D278-L287 PolarHBondContact O-N 2.82Å
279T82.1Confident77.2Confident39 Ų3961.2 Ų61.224%0.23933%0.329CS..BIsolated β-bridgetrans-112.3143.9-173.4600000112.6W273 H277 M285W273-T279 PolarHBondContact NE1-O 3.42Å; H277-T279 PolarHBondContact O-N 3.16Å; T279-M285 WeakPolarHBondContact CA-O 3.46Å
280C83.6Confident75.6Confident0 Ų065.4 Ų65.40%035%0.346CS..  trans-64.9129.6175177.30000111.3L259 V282 C283 R284 M285L259-C280 HydrophobicContact CD2-CB 3.69Å; C280-V282 PolarHBondContact O-N 3.34Å; C280-V282 PolarHBondContact SG-N 3.45Å; C280-C283 VanDerWaalsContact CB-SG 3.56Å; C280-R284 WeakPolarHBondContact O-CA 3.23Å; C280-R284 PolarHBondContact O-N 3.37Å; C280-M285 PolarHBondContact N-O 3.29Å
281P81Confident73.7Confident43 Ų4368.9 Ų68.928%0.27936%0.364SS..THydrogen-bonded Turntrans-64.8-22.8-179.625.7-34.1000113.6F265 I270 W273F265-P281 HydrophobicContact CE1-CG 3.6Å; F265-P281 HydrophobicContact CZ-CG 3.6Å; I270-P281 HydrophobicContact CD1-CG 4.28Å; W273-P281 HydrophobicContact CD2-CB 4.43Å; W273-P281 HydrophobicContact CH2-CB 4.48Å; W273-P281 HydrophobicContact CZ2-CB 3.9Å
282V81.1Confident72.2Confident73 Ų7372.2 Ų72.244%0.44239%0.389SS..THydrogen-bonded Turntrans-87.4-50.5-179.8-1770000112P244 H263 F265 C280P244-V282 HydrophobicContact CB-CG2 4.29Å; P244-V282 HydrophobicContact CG-CG2 4.01Å; H263-V282 VanDerWaalsContact NE2-CG1 3.29Å; H263-V282 WeakPolarHBondContact NE2-CG1 3.36Å; F265-V282 HydrophobicContact CE1-CG2 4.15Å; F265-V282 HydrophobicContact CZ-CG2 3.91Å; C280-V282 PolarHBondContact O-N 3.34Å; C280-V282 PolarHBondContact SG-N 3.45Å
283C78.4Confident70.7Confident54 Ų5474.9 Ų74.937%0.36541%0.41SS..THydrogen-bonded Turntrans-110.1-0.3-172.474.10000115.2C261 C280 M285C261-C283 WeakPolarHBondContact CB-SG 3.44Å; C280-C283 VanDerWaalsContact CB-SG 3.56Å; C283-M285 PolarHBondContact O-N 3.44Å
284R81.2Confident68.8Low213 Ų21375.5 Ų75.580%0.80442%0.422SS*.  trans56.712.9179.1-54.7-177-177.6-175.9-0.9116.3C280C280-R284 WeakPolarHBondContact O-CA 3.23Å; C280-R284 PolarHBondContact O-N 3.37Å
285M75.2Confident67.1Low86 Ų8684 Ų8442%0.42446%0.462SS..  trans-76.6134.5175.6-170.862.371.600110.2T279 C280 C283 D291T279-M285 WeakPolarHBondContact CA-O 3.46Å; C280-M285 PolarHBondContact N-O 3.29Å; C283-M285 PolarHBondContact O-N 3.44Å; M285-D291 HydrophobicContact SD-CB 4.33Å
286S77.4Confident65.4Low12 Ų1285.3 Ų85.38%0.08448%0.477CS..BIsolated β-bridgetrans-68.3143.8173.4-76.80000111.9D278 N288 G289D278-S286 CarbonylContact O-C 3.58Å; D278-S286 WeakPolarHBondContact O-CA 3.27Å; D278-S286 WeakPolarHBondContact OD2-CB 3.47Å; D278-S286 PolarHBondContact OD2-OG 2.98Å; S286-N288 PolarHBondContact O-N 3.24Å; S286-G289 PolarHBondContact O-N 3.24Å
287L70.7Confident64.1Low42 Ų4283.5 Ų83.522%0.2248%0.483CS..THydrogen-bonded Turntrans-61-24.5178.4-68.8-172.3000113.8L227 L259 P260 L274 D278 G289L227-L287 HydrophobicContact CD1-CD1 4.23Å; L259-L287 HydrophobicContact CB-CD2 4.32Å; L259-L287 HydrophobicContact CD2-CD2 3.72Å; L259-L287 HydrophobicContact CG-CD2 3.7Å; P260-L287 HydrophobicContact CG-CD2 4.13Å; L274-L287 HydrophobicContact CD1-CD1 3.88Å; L274-L287 HydrophobicContact CD2-CD1 3.58Å; L274-L287 HydrophobicContact CD2-CD2 4.34Å; L274-L287 HydrophobicContact CD2-CG 4Å; L274-L287 HydrophobicContact CG-CD1 4.27Å; D278-L287 WeakPolarHBondContact O-CG 3.2Å; D278-L287 PolarHBondContact O-N 2.82Å; L287-G289 PolarHBondContact O-N 3.07Å
288N64Low62.4Low118 Ų11887.9 Ų87.963%0.63150%0.503SS*.THydrogen-bonded Turntrans-70.8-12-177.5-72.824.7000113.8S286 E290S286-N288 PolarHBondContact O-N 3.24Å; N288-E290 HydrophobicContact CB-CG 3.93Å; N288-E290 WeakPolarHBondContact CB-OE1 3.45Å; N288-E290 PolarHBondContact ND2-OE1 3.03Å; N288-E290 VanDerWaalsContact ND2-OE1 3.14Å; N288-E290 PolarHBondContact O-N 2.9Å
289G55.8Low60.6Low59 Ų5990 Ų9061%0.60852%0.523SS*.SBendtrans72.14.5-17400000114.1S286 L287 D291S286-G289 PolarHBondContact O-N 3.24Å; L287-G289 PolarHBondContact O-N 3.07Å; G289-D291 PolarHBondContact O-N 3.37Å
290E46.7Very low58.7Low116 Ų11694.2 Ų94.254%0.54255%0.55SS.*  trans-76.4109.316363.5-168.999.300108.8N288 S292N288-E290 HydrophobicContact CB-CG 3.93Å; N288-E290 WeakPolarHBondContact CB-OE1 3.45Å; N288-E290 PolarHBondContact ND2-OE1 3.03Å; N288-E290 VanDerWaalsContact ND2-OE1 3.14Å; N288-E290 PolarHBondContact O-N 2.9Å; E290-S292 PolarHBondContact O-N 3.17Å
291D44.6Very low56.9Low72 Ų7299 Ų9939%0.38558%0.584SS.*  trans-74.9110.3164.349.9-20.4000108.5M285 G289 S293 S294M285-D291 HydrophobicContact SD-CB 4.33Å; G289-D291 PolarHBondContact O-N 3.37Å; D291-S293 PolarHBondContact O-N 3.37Å; D291-S294 VanDerWaalsContact CG-CB 3.46Å; D291-S294 PolarHBondContact O-N 3.4Å; D291-S294 WeakPolarHBondContact OD1-CB 3.19Å; D291-S294 WeakPolarHBondContact OD2-CB 3.44Å; D291-S294 PolarHBondContact OD2-OG 3.36Å
292S49.2Very low55.4Low110 Ų110104.7 Ų104.777%0.76961%0.611SS**THydrogen-bonded Turntrans-63.512.6176.5-35.60000114.4E290E290-S292 PolarHBondContact O-N 3.17Å
293S50.6Low53.4Low122 Ų122106.6 Ų106.685%0.85363%0.628SS**THydrogen-bonded Turntrans-115.4-5.2172.3-64.10000113.9D291D291-S293 PolarHBondContact O-N 3.37Å
294S43.8Very low51.6Low66 Ų66110.7 Ų110.746%0.46265%0.651SS.*  trans-121.867.6175-53.50000111.6D291 P296D291-S294 VanDerWaalsContact CG-CB 3.46Å; D291-S294 PolarHBondContact O-N 3.4Å; D291-S294 WeakPolarHBondContact OD1-CB 3.19Å; D291-S294 WeakPolarHBondContact OD2-CB 3.44Å; D291-S294 PolarHBondContact OD2-OG 3.36Å; S294-P296 WeakPolarHBondContact O-CD 3.21Å
295Q42.6Very low50Low184 Ų184106.3 Ų106.386%0.8664%0.644SS**  trans-76.2106.4146.1-66.3-146.8-50.700107.8A297Q295-A297 PolarHBondContact O-N 3.07Å; Q295-A297 VanDerWaalsContact O-N 3.09Å
296P41.7Very low48.6Very low107 Ų107108.2 Ų108.270%0.69566%0.662SS**  trans-59.5115.4150.228.2-31.1000105.2S294 E298S294-P296 WeakPolarHBondContact O-CD 3.21Å; P296-E298 VanDerWaalsContact C-N 3.26Å; P296-E298 PolarHBondContact O-N 3.26Å
297A42.8Very low47.4Very low93 Ų93118.2 Ų118.277%0.76970%0.698SS**  trans-63.893.6175.200000108.2Q295 S299Q295-A297 PolarHBondContact O-N 3.07Å; Q295-A297 VanDerWaalsContact O-N 3.09Å; A297-S299 VanDerWaalsContact C-N 3.31Å; A297-S299 PolarHBondContact O-N 2.83Å
298E39.6Very low46.4Very low183 Ų183122.4 Ų122.486%0.85573%0.726SS**  trans-60.499.5168.7-74.5-165.488.800107.1P296 P300P296-E298 VanDerWaalsContact C-N 3.26Å; P296-E298 PolarHBondContact O-N 3.26Å; E298-P300 WeakPolarHBondContact O-CD 3.25Å
299S40.1Very low45.5Very low99 Ų99125.9 Ų125.969%0.69274%0.738SS**  trans-63.6118.4-175.145.90000109.3A297 S301A297-S299 VanDerWaalsContact C-N 3.31Å; A297-S299 PolarHBondContact O-N 2.83Å; S299-S301 PolarHBondContact O-N 2.95Å
300P42.1Very low45.1Very low126 Ų126132.3 Ų132.382%0.81875%0.753SS**  trans-68.293.4161.329.5-31.2000106.3E298 L302E298-P300 WeakPolarHBondContact O-CD 3.25Å; P300-L302 PolarHBondContact O-N 3.48Å; P300-L302 VanDerWaalsContact O-N 3.17Å
301S47.2Very low45.1Very low102 Ų102137 Ų13771%0.71377%0.765SS**  trans-52.6121.2167.354.40000109.2S299S299-S301 PolarHBondContact O-N 2.95Å
302L47.6Very low44.7Very low162 Ų162145.1 Ų145.185%0.84879%0.791SS**  trans179.2143140-95.2159.6000111.9P300P300-L302 PolarHBondContact O-N 3.48Å; P300-L302 VanDerWaalsContact O-N 3.17Å
303S40.3Very low44.5Very low112 Ų112145.4 Ų145.478%0.78379%0.792SS**  trans61.290.2169.138.50000118.7D305S303-D305 PolarHBondContact O-N 3.39Å
304T40.6Very low44.3Very low140 Ų140153.4 Ų153.486%0.85981%0.812SS**  trans-60.7115.1151.2-53.50000110.6
305D47.2Very low44.3Very low122 Ų122157.8 Ų157.865%0.65283%0.83SS**  trans-102117.6162.9-167.6-48.3000109.1S303 R307S303-D305 PolarHBondContact O-N 3.39Å; D305-R307 VanDerWaalsContact C-N 3.26Å; D305-R307 PolarHBondContact O-N 3.12Å; D305-R307 VanDerWaalsContact O-N 3.12Å; D305-R307 WeakPolarHBondContact OD1-CB 3.36Å; D305-R307 PolarHBondContact OD1-N 3.02Å
306P45.8Very low44.4Very low125 Ų125156.4 Ų156.481%0.81283%0.828SS**  trans-83.826.6-168.234.9-37.8000114.8
307R52.5Low44.5Very low223 Ų223159.1 Ų159.184%0.84284%0.836SS**SBendtrans-11611.2-162.5-142179.1179.4152.83.1118.9D305D305-R307 VanDerWaalsContact C-N 3.26Å; D305-R307 PolarHBondContact O-N 3.12Å; D305-R307 VanDerWaalsContact O-N 3.12Å; D305-R307 WeakPolarHBondContact OD1-CB 3.36Å; D305-R307 PolarHBondContact OD1-N 3.02Å
308T49.7Very low44.6Very low129 Ų129163 Ų16379%0.79184%0.84SS**  trans-127-0.6-176.348.80000116.7E310T308-E310 PolarHBondContact O-N 3.14Å
309Q45.5Very low44.9Very low192 Ų192161.8 Ų161.890%0.89784%0.839SS**  trans-83.439.1-177.6-155.2173.913.700114.6
310E46.6Very low45.3Very low194 Ų194165.9 Ų165.991%0.90785%0.848SS**  trans-126.728.5-179.7-72.8-84.2121.200111.4T308T308-E310 PolarHBondContact O-N 3.14Å
311R46.4Very low45.5Very low214 Ų214168.8 Ų168.881%0.80885%0.851SS**  trans-147.971.8-178.2-165172.5-175.9-115.22.5113
312W37.2Very low45.4Very low243 Ų243173.9 Ų173.992%0.9286%0.861SS**  trans-174.991.6135.4-84.8-9.2000109.9
313S43.8Very low45.2Very low115 Ų115174.9 Ų174.980%0.80486%0.862SS**  trans-125.8106.5160.6-64.10000107.8
314F46.8Very low45.6Very low290 Ų290180.6 Ų180.6100%1.27287%0.869SS**  trans-157.30159-97.7-68.2000108.4

Retrieved 314 of 314 residues in 1207.4 ms (Link to these results)