A0A087Y468_POEFO Loading...

formyltetrahydrofolate dehydrogenase

AlphaFold DB , UniProt , Accession A0A087Y468, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 565 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
1M95.4Very high95.2Very high41 Ų4123.5 Ų23.520%0.20212%0.12CC..  0156.30-68.2-177.3-56.400109I3 T25 E79 L80 V180 I183 T184M1-I3 HydrophobicContact CB-CG1 4.3Å; M1-T25 PolarHBondContact O-N 3.44Å; M1-E79 WeakPolarHBondContact CA-OE2 3.39Å; M1-L80 HydrophobicContact CE-CD2 3.85Å; M1-V180 HydrophobicContact CE-CG1 3.5Å; M1-I183 HydrophobicContact CE-CG2 4.23Å; M1-I183 HydrophobicContact SD-CG2 4.22Å; M1-T184 WeakPolarHBondContact CE-OG1 3.29Å
2K98.4Very high95.4Very high103 Ų10321.5 Ų21.545%0.44811%0.11SC..EExtended strand (participates in β ladder)trans-84.1118.4168.2-68.7-179.9178.3-174.20109.6T25 V27 E79 L80K2-T25 CarbonylContact C-O 3.58Å; K2-T25 WeakPolarHBondContact CA-O 3.44Å; K2-V27 HydrophobicContact CB-CG1 3.64Å; K2-V27 HydrophobicContact CB-CG2 4.4Å; K2-V27 HydrophobicContact CD-CG1 4.07Å; K2-V27 HydrophobicContact CG-CG1 3.79Å; K2-E79 HydrophobicContact CB-CB 4.43Å; K2-E79 HydrophobicContact CB-CG 4.02Å; K2-E79 PolarHBondContact N-OE2 3.31Å; K2-E79 WeakPolarHBondContact O-CB 3.14Å; K2-E79 PolarHBondContact O-N 2.86Å; K2-L80 PolarHBondContact O-N 3.05Å
3I98.8Very high95.5Very high0 Ų022.2 Ų22.20%011%0.113CC..EExtended strand (participates in β ladder)trans-119.3132.3-172.5-59.2179.1000110.2M1 V5 L19 H24 T25 I26 V27 L80 V82 V180M1-I3 HydrophobicContact CB-CG1 4.3Å; I3-V5 HydrophobicContact CG2-CG2 4.19Å; I3-L19 HydrophobicContact CD1-CD1 4.33Å; I3-L19 HydrophobicContact CD1-CD2 4.41Å; I3-L19 HydrophobicContact CG2-CD1 4.42Å; I3-H24 HydrophobicContact CD1-CB 3.69Å; I3-H24 HydrophobicContact CG1-CB 4.38Å; I3-T25 PolarHBondContact N-O 2.76Å; I3-I26 HydrophobicContact CB-CD1 3.93Å; I3-I26 HydrophobicContact CG2-CD1 4.24Å; I3-I26 CarbonylContact O-C 3.55Å; I3-I26 WeakPolarHBondContact O-CA 3.44Å; I3-V27 WeakPolarHBondContact O-CG2 3.04Å; I3-V27 PolarHBondContact O-N 3.24Å; I3-L80 WeakPolarHBondContact CA-O 3.43Å; I3-L80 HydrophobicContact CD1-CD2 4.45Å; I3-L80 HydrophobicContact CG1-CB 4.48Å; I3-V82 HydrophobicContact CG2-CB 4.14Å; I3-V82 HydrophobicContact CG2-CG2 3.61Å; I3-V180 HydrophobicContact CD1-CG1 3.7Å
4A98.7Very high95.5Very high0 Ų024.7 Ų24.70%012%0.124CC..EExtended strand (participates in β ladder)trans-94.1128.8161.600000109.3G28 F30 Y73 A78 L80 N81 V82A4-G28 WeakPolarHBondContact CA-O 3.48Å; A4-F30 HydrophobicContact CB-CD2 4.5Å; A4-F30 HydrophobicContact CB-CE2 4.08Å; A4-Y73 HydrophobicContact CB-CE2 4.01Å; A4-A78 HydrophobicContact CB-CB 3.68Å; A4-L80 PolarHBondContact N-O 3.21Å; A4-N81 WeakPolarHBondContact O-CA 3.43Å; A4-V82 PolarHBondContact O-N 3.21Å
5V98.6Very high95.7Very high0 Ų023.1 Ų23.10%012%0.116CC..EExtended strand (participates in β ladder)trans-101.3118.4175.1-179.60000108.1I3 L19 I26 G28 V29 F30 L42 V82 P84I3-V5 HydrophobicContact CG2-CG2 4.19Å; V5-L19 HydrophobicContact CG2-CD1 4.39Å; V5-I26 HydrophobicContact CG2-CD1 4.04Å; V5-I26 HydrophobicContact CG2-CG2 4.03Å; V5-G28 PolarHBondContact N-O 3.45Å; V5-V29 HydrophobicContact CB-CG2 4.41Å; V5-V29 CarbonylContact O-C 3.59Å; V5-V29 WeakPolarHBondContact O-CA 3.48Å; V5-F30 PolarHBondContact O-N 3.36Å; V5-L42 HydrophobicContact CG1-CD2 4.04Å; V5-V82 WeakPolarHBondContact CA-O 3.47Å; V5-P84 HydrophobicContact CG1-CG 4.02Å
6I98.3Very high95.9Very high3 Ų321.6 Ų21.62%0.01511%0.108CC..EExtended strand (participates in β ladder)trans-116.997.8-179.9-50.7171.3000108F30 W59 Y73 N81 V82 L83 I90 V94I6-F30 CarbonylContact C-O 3.48Å; I6-F30 WeakPolarHBondContact CA-O 3.4Å; I6-F30 HydrophobicContact CB-CB 4.33Å; I6-F30 HydrophobicContact CG1-CB 4.09Å; I6-F30 HydrophobicContact CG1-CD2 3.91Å; I6-F30 HydrophobicContact CG1-CG 4.25Å; I6-F30 HydrophobicContact CG2-CB 4.08Å; I6-W59 HydrophobicContact CD1-CH2 4.23Å; I6-W59 HydrophobicContact CG2-CH2 4.45Å; I6-W59 HydrophobicContact CG2-CZ2 3.84Å; I6-Y73 HydrophobicContact CD1-CE2 4.47Å; I6-N81 HydrophobicContact CD1-CB 4.41Å; I6-V82 PolarHBondContact N-O 2.8Å; I6-L83 HydrophobicContact CB-CG 4.14Å; I6-L83 WeakPolarHBondContact O-CA 3.45Å; I6-I90 HydrophobicContact CD1-CG2 4.5Å; I6-I90 HydrophobicContact CG2-CD1 3.82Å; I6-I90 HydrophobicContact CG2-CG1 4.18Å; I6-V94 HydrophobicContact CD1-CG1 4.03Å
7G96.4Very high96Very high4 Ų424.6 Ų24.64%0.04112%0.121CC..  trans-176.5-166.5-176.100000113.2F30 T31 L42 F85G7-F30 PolarHBondContact N-O 2.9Å; G7-T31 VanDerWaalsContact O-CA 3.26Å; G7-T31 WeakPolarHBondContact O-CA 3.29Å; G7-T31 WeakPolarHBondContact O-CB 3.38Å; G7-T31 PolarHBondContact O-OG1 3.46Å; G7-L42 WeakPolarHBondContact O-CD2 2.97Å; G7-F85 CarbonylContact C-O 3.56Å; G7-F85 WeakPolarHBondContact CA-O 3.19Å
8Q94.2Very high96.1Very high20 Ų2026.6 Ų26.69%0.09313%0.129CC..  trans-151.6179.4-174.671.2-159.6-36.100111.6G12 I32 F85 S87Q8-G12 PolarHBondContact O-N 3.24Å; Q8-I32 HydrophobicContact CB-CG1 4.33Å; Q8-F85 HydrophobicContact CG-CD1 3.71Å; Q8-F85 HydrophobicContact CG-CE1 3.92Å; Q8-F85 HydrophobicContact CG-CG 4.05Å; Q8-F85 HydrophobicContact CG-CZ 4.43Å; Q8-F85 PolarHBondContact N-O 2.87Å; Q8-S87 PolarHBondContact NE2-OG 3.47Å; Q8-S87 VanDerWaalsContact NE2-OG 3.07Å
9S89.6Confident96.3Very high40 Ų4025.2 Ų25.228%0.2812%0.123SC..Hα-helixtrans63.7-179.4173.8-169.40000114F11 G12 Q13 D40S9-F11 PolarHBondContact O-N 2.84Å; S9-G12 PolarHBondContact O-N 3.25Å; S9-Q13 PolarHBondContact O-N 2.93Å; S9-Q13 VanDerWaalsContact O-N 3.1Å; S9-D40 PolarHBondContact N-OD2 3.37Å
10L87.4Confident96.4Very high45 Ų4528.7 Ų28.724%0.23614%0.135CC..Hα-helixtrans-60.4-31.9177.4-62.2172000112.4Q13 E14 P41 F169 M355L10-Q13 WeakPolarHBondContact O-CB 3.16Å; L10-Q13 PolarHBondContact O-N 3.23Å; L10-E14 WeakPolarHBondContact O-CG 3.19Å; L10-E14 PolarHBondContact O-N 3.09Å; L10-P41 HydrophobicContact CD2-CB 3.82Å; L10-P41 HydrophobicContact CD2-CG 3.98Å; L10-P41 HydrophobicContact CG-CG 4.49Å; L10-F169 HydrophobicContact CB-CE2 4.12Å; L10-F169 HydrophobicContact CB-CZ 4.34Å; L10-M355 HydrophobicContact CD1-CE 3.46Å; L10-M355 VanDerWaalsContact CD1-CE 3.46Å; L10-M355 HydrophobicContact CD1-CG 4.17Å; L10-M355 HydrophobicContact CD1-SD 3.63Å; L10-M355 HydrophobicContact CD2-CE 3.39Å; L10-M355 HydrophobicContact CD2-SD 4.31Å; L10-M355 HydrophobicContact CG-CE 4.04Å
11F91.5Very high96.4Very high2 Ų234.9 Ų34.91%0.00916%0.161CC..Hα-helixtrans-64.6-46.8178.4-171.8-88.4000110.8S9 Q13 E14 V15 P84 F85 Y105 F169 V173S9-F11 PolarHBondContact O-N 2.84Å; F11-Q13 VanDerWaalsContact C-N 3.32Å; F11-Q13 PolarHBondContact O-N 3.36Å; F11-E14 PolarHBondContact O-N 2.98Å; F11-V15 HydrophobicContact CD1-CG2 4.25Å; F11-V15 HydrophobicContact CE1-CG2 3.94Å; F11-V15 HydrophobicContact CZ-CG2 4.42Å; F11-V15 WeakPolarHBondContact O-CG2 3.43Å; F11-V15 PolarHBondContact O-N 2.96Å; F11-V15 VanDerWaalsContact O-N 3.07Å; F11-P84 HydrophobicContact CD1-CB 3.83Å; F11-P84 VanDerWaalsContact CD1-O 3.23Å; F11-P84 WeakPolarHBondContact CD1-O 3.35Å; F11-P84 HydrophobicContact CE1-CB 3.81Å; F11-P84 WeakPolarHBondContact CE1-O 3.25Å; F11-F85 HydrophobicContact CD1-CB 4.4Å; F11-Y105 AromaticContact CE1-CD1 3.77Å; F11-Y105 HydrophobicContact CE1-CD1 3.77Å; F11-Y105 HydrophobicContact CE1-CD2 4.15Å; F11-Y105 HydrophobicContact CE1-CE1 4.14Å; F11-Y105 HydrophobicContact CE1-CE2 4.48Å; F11-Y105 AromaticContact CE1-CG 3.77Å; F11-Y105 HydrophobicContact CE1-CG 3.77Å; F11-Y105 HydrophobicContact CE2-CE1 4.28Å; F11-Y105 HydrophobicContact CE2-CE2 4.26Å; F11-Y105 AromaticContact CZ-CD1 3.86Å; F11-Y105 HydrophobicContact CZ-CD1 3.86Å; F11-Y105 AromaticContact CZ-CD2 3.68Å; F11-Y105 HydrophobicContact CZ-CD2 3.68Å; F11-Y105 AromaticContact CZ-CE1 3.85Å; F11-Y105 HydrophobicContact CZ-CE1 3.85Å; F11-Y105 AromaticContact CZ-CE2 3.66Å; F11-Y105 HydrophobicContact CZ-CE2 3.66Å; F11-Y105 AromaticContact CZ-CG 3.78Å; F11-Y105 HydrophobicContact CZ-CG 3.78Å; F11-Y105 AromaticContact CZ-CZ 3.75Å; F11-F169 HydrophobicContact CB-CD2 4.14Å; F11-F169 HydrophobicContact CB-CE2 3.89Å; F11-F169 AromaticContact CD2-CD2 3.7Å; F11-F169 HydrophobicContact CD2-CD2 3.7Å; F11-F169 HydrophobicContact CD2-CE2 4.11Å; F11-F169 HydrophobicContact CD2-CG 4.22Å; F11-F169 HydrophobicContact CG-CD2 4.42Å; F11-F169 HydrophobicContact CG-CE2 4.48Å; F11-V173 HydrophobicContact CD2-CG2 3.9Å; F11-V173 HydrophobicContact CE2-CG2 3.77Å; F11-V173 HydrophobicContact CZ-CG2 4.27Å
12G96.9Very high96.4Very high0 Ų035.5 Ų35.50%017%0.165CC..Hα-helixtrans-61.1-40.9173.700000112.5Q8 S9 Y16Q8-G12 PolarHBondContact O-N 3.24Å; S9-G12 PolarHBondContact O-N 3.25Å; G12-Y16 VanDerWaalsContact O-CB 3.31Å; G12-Y16 WeakPolarHBondContact O-CB 3.49Å; G12-Y16 PolarHBondContact O-N 3.35Å
13Q97.4Very high96.3Very high30 Ų3033.5 Ų33.514%0.1417%0.174CC..Hα-helixtrans-58.6-47.9176-176.2-1758.400112.6S9 L10 F11 Y16 K17 L42 V45S9-Q13 PolarHBondContact O-N 2.93Å; S9-Q13 VanDerWaalsContact O-N 3.1Å; L10-Q13 WeakPolarHBondContact O-CB 3.16Å; L10-Q13 PolarHBondContact O-N 3.23Å; F11-Q13 VanDerWaalsContact C-N 3.32Å; F11-Q13 PolarHBondContact O-N 3.36Å; Q13-Y16 WeakPolarHBondContact O-CB 3.42Å; Q13-Y16 PolarHBondContact O-N 3.32Å; Q13-K17 VanDerWaalsContact NE2-NZ 3.16Å; Q13-K17 WeakPolarHBondContact O-CG 3.4Å; Q13-K17 PolarHBondContact O-N 2.83Å; Q13-L42 HydrophobicContact CB-CB 4.39Å; Q13-V45 HydrophobicContact CG-CB 4.16Å; Q13-V45 HydrophobicContact CG-CG1 3.71Å
14E95.8Very high96.3Very high58 Ų5834.4 Ų34.427%0.27118%0.178SC..Hα-helixtrans-70.7-38.9-178-68.3-52.3122.600112L10 F11 Y16 K17 E18 F169 V173L10-E14 WeakPolarHBondContact O-CG 3.19Å; L10-E14 PolarHBondContact O-N 3.09Å; F11-E14 PolarHBondContact O-N 2.98Å; E14-Y16 VanDerWaalsContact C-N 3.34Å; E14-Y16 PolarHBondContact O-N 3.39Å; E14-K17 PolarHBondContact O-N 2.85Å; E14-K17 IonicContact OE1-NZ 3.79Å; E14-K17 PolarHBondContact OE1-NZ 3.39Å; E14-E18 PolarHBondContact O-N 3.21Å; E14-F169 HydrophobicContact CB-CZ 4.43Å; E14-F169 HydrophobicContact CG-CE1 4.34Å; E14-F169 HydrophobicContact CG-CZ 3.91Å; E14-V173 HydrophobicContact CB-CG1 4.28Å; E14-V173 HydrophobicContact CB-CG2 4.04Å
15V98.3Very high96.3Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-59.1-46.9171172.90000110.5F11 K17 E18 L19 V82 P84 V173 M176F11-V15 HydrophobicContact CD1-CG2 4.25Å; F11-V15 HydrophobicContact CE1-CG2 3.94Å; F11-V15 HydrophobicContact CZ-CG2 4.42Å; F11-V15 WeakPolarHBondContact O-CG2 3.43Å; F11-V15 PolarHBondContact O-N 2.96Å; F11-V15 VanDerWaalsContact O-N 3.07Å; V15-K17 PolarHBondContact O-N 2.89Å; V15-E18 PolarHBondContact O-N 2.88Å; V15-L19 HydrophobicContact CG1-CD1 3.76Å; V15-L19 HydrophobicContact CG1-CG 4.12Å; V15-L19 WeakPolarHBondContact O-CB 3.32Å; V15-L19 WeakPolarHBondContact O-CG 3.33Å; V15-L19 PolarHBondContact O-N 2.92Å; V15-V82 HydrophobicContact CG1-CG1 4.1Å; V15-P84 HydrophobicContact CB-CB 4Å; V15-P84 HydrophobicContact CB-CG 4.46Å; V15-P84 HydrophobicContact CG1-CB 4.11Å; V15-P84 HydrophobicContact CG2-CB 3.85Å; V15-V173 HydrophobicContact CG2-CB 4.39Å; V15-V173 HydrophobicContact CG2-CG1 4.28Å; V15-V173 HydrophobicContact CG2-CG2 4.1Å; V15-M176 HydrophobicContact CG1-CB 4.29Å; V15-M176 HydrophobicContact CG2-CB 4.11Å
16Y98.6Very high96.3Very high0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-56-47.7176.5161.8-88000112.4G12 Q13 E14 L19 R20 I26 V29 L42 V45 A46 D49 V51G12-Y16 VanDerWaalsContact O-CB 3.31Å; G12-Y16 WeakPolarHBondContact O-CB 3.49Å; G12-Y16 PolarHBondContact O-N 3.35Å; Q13-Y16 WeakPolarHBondContact O-CB 3.42Å; Q13-Y16 PolarHBondContact O-N 3.32Å; E14-Y16 VanDerWaalsContact C-N 3.34Å; E14-Y16 PolarHBondContact O-N 3.39Å; Y16-L19 PolarHBondContact O-N 3.32Å; Y16-R20 HydrophobicContact CE2-CG 4.44Å; Y16-R20 PolarHBondContact O-N 2.89Å; Y16-R20 VanDerWaalsContact O-N 3.13Å; Y16-R20 VanDerWaalsContact OH-CD 3.29Å; Y16-R20 WeakPolarHBondContact OH-CD 3.32Å; Y16-R20 PolarHBondContact OH-NH1 2.91Å; Y16-I26 HydrophobicContact CD2-CB 4.24Å; Y16-I26 HydrophobicContact CD2-CG1 3.84Å; Y16-I26 HydrophobicContact CD2-CG2 3.93Å; Y16-I26 HydrophobicContact CE2-CB 3.92Å; Y16-I26 HydrophobicContact CE2-CG1 3.83Å; Y16-I26 HydrophobicContact CE2-CG2 3.84Å; Y16-V29 HydrophobicContact CD2-CG2 3.93Å; Y16-V29 HydrophobicContact CE2-CG2 3.98Å; Y16-L42 HydrophobicContact CD1-CD1 4.4Å; Y16-L42 HydrophobicContact CD2-CD1 4.19Å; Y16-L42 HydrophobicContact CG-CD1 3.79Å; Y16-V45 HydrophobicContact CD1-CG1 3.53Å; Y16-V45 HydrophobicContact CD1-CG2 4.5Å; Y16-V45 HydrophobicContact CE1-CB 4.4Å; Y16-V45 HydrophobicContact CE1-CG1 3.57Å; Y16-V45 HydrophobicContact CE1-CG2 4.06Å; Y16-V45 HydrophobicContact CG-CG1 4.43Å; Y16-A46 HydrophobicContact CE2-CB 4.25Å; Y16-D49 VanDerWaalsContact CE1-OD2 3.28Å; Y16-D49 WeakPolarHBondContact CE1-OD2 3.44Å; Y16-D49 WeakPolarHBondContact OH-CB 3.43Å; Y16-D49 PolarHBondContact OH-OD2 3.47Å; Y16-V51 HydrophobicContact CE2-CG2 4.31Å; Y16-V51 WeakPolarHBondContact OH-CG2 3.18Å
17K98.1Very high96.3Very high73 Ų7340 Ų4032%0.31721%0.211SC..Hα-helixtrans-62.2-47.8179.9-74.5175-173.4162.70111.6Q13 E14 V15 R20 K21 V45Q13-K17 VanDerWaalsContact NE2-NZ 3.16Å; Q13-K17 WeakPolarHBondContact O-CG 3.4Å; Q13-K17 PolarHBondContact O-N 2.83Å; E14-K17 PolarHBondContact O-N 2.85Å; E14-K17 IonicContact OE1-NZ 3.79Å; E14-K17 PolarHBondContact OE1-NZ 3.39Å; V15-K17 PolarHBondContact O-N 2.89Å; K17-R20 PolarHBondContact O-N 3.28Å; K17-K21 WeakPolarHBondContact O-CB 3.28Å; K17-K21 PolarHBondContact O-N 2.72Å; K17-V45 HydrophobicContact CG-CG2 4.42Å
18E98.1Very high96.3Very high59 Ų5939.8 Ų39.828%0.27621%0.209SC..Hα-helixtrans-69-35.6-177.9-72.4-65134.800112E14 V15 R20 K21 D22 V173 V177E14-E18 PolarHBondContact O-N 3.21Å; V15-E18 PolarHBondContact O-N 2.88Å; E18-R20 PolarHBondContact O-N 3.38Å; E18-K21 PolarHBondContact O-N 2.81Å; E18-K21 IonicContact OE1-NZ 3.83Å; E18-K21 PolarHBondContact OE1-NZ 2.9Å; E18-K21 IonicContact OE2-NZ 2.69Å; E18-K21 PolarHBondContact OE2-NZ 3.09Å; E18-D22 WeakPolarHBondContact O-CB 3.36Å; E18-D22 PolarHBondContact O-N 2.87Å; E18-V173 HydrophobicContact CG-CG1 4.37Å; E18-V177 HydrophobicContact CB-CG2 3.59Å
19L98.4Very high96.5Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-62.9-40.3173.2-69.5176.3000112.4I3 V5 V15 Y16 D22 H24 I26 V82 V177 V180I3-L19 HydrophobicContact CD1-CD1 4.33Å; I3-L19 HydrophobicContact CD1-CD2 4.41Å; I3-L19 HydrophobicContact CG2-CD1 4.42Å; V5-L19 HydrophobicContact CG2-CD1 4.39Å; V15-L19 HydrophobicContact CG1-CD1 3.76Å; V15-L19 HydrophobicContact CG1-CG 4.12Å; V15-L19 WeakPolarHBondContact O-CB 3.32Å; V15-L19 WeakPolarHBondContact O-CG 3.33Å; V15-L19 PolarHBondContact O-N 2.92Å; Y16-L19 PolarHBondContact O-N 3.32Å; L19-D22 PolarHBondContact O-N 2.65Å; L19-H24 VanDerWaalsContact O-CB 3.3Å; L19-H24 WeakPolarHBondContact O-CB 3.43Å; L19-H24 PolarHBondContact O-N 3.48Å; L19-H24 VanDerWaalsContact O-N 3.13Å; L19-I26 HydrophobicContact CB-CD1 4.07Å; L19-I26 HydrophobicContact CD1-CD1 4.45Å; L19-V82 HydrophobicContact CD1-CB 4.39Å; L19-V82 HydrophobicContact CD1-CG1 4.28Å; L19-V82 HydrophobicContact CD1-CG2 4.2Å; L19-V177 HydrophobicContact CD2-CG2 4.41Å; L19-V180 HydrophobicContact CD2-CB 3.83Å; L19-V180 HydrophobicContact CD2-CG1 4.01Å; L19-V180 HydrophobicContact CD2-CG2 3.66Å
20R98.1Very high96.9Very high96 Ų9637.1 Ų37.136%0.36219%0.193SC..Hα-helixtrans-64.1-44.2174-75.2-172.866.3139.9-0.9111.9Y16 K17 E18 D22 G23 I26 D49Y16-R20 HydrophobicContact CE2-CG 4.44Å; Y16-R20 PolarHBondContact O-N 2.89Å; Y16-R20 VanDerWaalsContact O-N 3.13Å; Y16-R20 VanDerWaalsContact OH-CD 3.29Å; Y16-R20 WeakPolarHBondContact OH-CD 3.32Å; Y16-R20 PolarHBondContact OH-NH1 2.91Å; K17-R20 PolarHBondContact O-N 3.28Å; E18-R20 PolarHBondContact O-N 3.38Å; R20-D22 PolarHBondContact O-N 3.36Å; R20-G23 PolarHBondContact O-N 3.27Å; R20-I26 HydrophobicContact CG-CD1 4.47Å; R20-I26 HydrophobicContact CG-CG1 3.56Å; R20-D49 IonicContact CZ-OD2 3.58Å; R20-D49 IonicContact NH1-OD2 3.41Å
21K97.3Very high97.4Very high158 Ų15835.5 Ų35.569%0.68719%0.185SC*.Hα-helixtrans-61.9-32.1177.2-176.2-178.8169.2-165.20112.2K17 E18 G23K17-K21 WeakPolarHBondContact O-CB 3.28Å; K17-K21 PolarHBondContact O-N 2.72Å; E18-K21 PolarHBondContact O-N 2.81Å; E18-K21 IonicContact OE1-NZ 3.83Å; E18-K21 PolarHBondContact OE1-NZ 2.9Å; E18-K21 IonicContact OE2-NZ 2.69Å; E18-K21 PolarHBondContact OE2-NZ 3.09Å; K21-G23 PolarHBondContact O-N 3.25Å
22D95.6Very high97.4Very high55 Ų5537.8 Ų37.829%0.29420%0.197SC..THydrogen-bonded Turntrans-76.17.5173.2-144.344.2000113.7E18 L19 R20 H24 R181E18-D22 WeakPolarHBondContact O-CB 3.36Å; E18-D22 PolarHBondContact O-N 2.87Å; L19-D22 PolarHBondContact O-N 2.65Å; R20-D22 PolarHBondContact O-N 3.36Å; D22-H24 IonicContact OD2-NE2 3.18Å; D22-R181 VanDerWaalsContact CG-NE 3.3Å; D22-R181 IonicContact OD1-CZ 3.25Å; D22-R181 IonicContact OD1-NE 3.39Å; D22-R181 PolarHBondContact OD1-NE 3.32Å; D22-R181 VanDerWaalsContact OD1-NE 3.13Å; D22-R181 IonicContact OD1-NH2 3.45Å; D22-R181 PolarHBondContact OD1-NH2 3.22Å; D22-R181 WeakPolarHBondContact OD2-CG 3.47Å; D22-R181 IonicContact OD2-CZ 2.74Å; D22-R181 IonicContact OD2-NE 2.67Å; D22-R181 PolarHBondContact OD2-NE 3.04Å; D22-R181 IonicContact OD2-NH2 3.64Å
23G96.4Very high97.2Very high61 Ų6140.3 Ų40.363%0.62921%0.213SC*.THydrogen-bonded Turntrans82.813.8174.800000114.5R20 K21R20-G23 PolarHBondContact O-N 3.27Å; K21-G23 PolarHBondContact O-N 3.25Å
24H98.2Very high96.9Very high19 Ų1942.6 Ų42.69%0.08823%0.226CC..  trans-82.1150.4173.8-55.9-37.8000112I3 L19 D22 V180I3-H24 HydrophobicContact CD1-CB 3.69Å; I3-H24 HydrophobicContact CG1-CB 4.38Å; L19-H24 VanDerWaalsContact O-CB 3.3Å; L19-H24 WeakPolarHBondContact O-CB 3.43Å; L19-H24 PolarHBondContact O-N 3.48Å; L19-H24 VanDerWaalsContact O-N 3.13Å; D22-H24 IonicContact OD2-NE2 3.18Å; H24-V180 VanDerWaalsContact NE2-CG1 3.31Å; H24-V180 WeakPolarHBondContact NE2-CG1 3.43Å
25T98.4Very high96.3Very high85 Ų8547 Ų4752%0.52124%0.244SC..EExtended strand (participates in β ladder)trans-97113.2176.4-51.80000108.6M1 K2 I3 V27M1-T25 PolarHBondContact O-N 3.44Å; K2-T25 CarbonylContact C-O 3.58Å; K2-T25 WeakPolarHBondContact CA-O 3.44Å; I3-T25 PolarHBondContact N-O 2.76Å; T25-V27 HydrophobicContact CG2-CG1 4.23Å; T25-V27 PolarHBondContact O-N 3.4Å
26I98.6Very high95.5Very high11 Ų1153.4 Ų53.46%0.05628%0.278CS..EExtended strand (participates in β ladder)trans-81.1114172.9-49.9-53.3000108.3I3 V5 Y16 L19 R20 V29 V51I3-I26 HydrophobicContact CB-CD1 3.93Å; I3-I26 HydrophobicContact CG2-CD1 4.24Å; I3-I26 CarbonylContact O-C 3.55Å; I3-I26 WeakPolarHBondContact O-CA 3.44Å; V5-I26 HydrophobicContact CG2-CD1 4.04Å; V5-I26 HydrophobicContact CG2-CG2 4.03Å; Y16-I26 HydrophobicContact CD2-CB 4.24Å; Y16-I26 HydrophobicContact CD2-CG1 3.84Å; Y16-I26 HydrophobicContact CD2-CG2 3.93Å; Y16-I26 HydrophobicContact CE2-CB 3.92Å; Y16-I26 HydrophobicContact CE2-CG1 3.83Å; Y16-I26 HydrophobicContact CE2-CG2 3.84Å; L19-I26 HydrophobicContact CB-CD1 4.07Å; L19-I26 HydrophobicContact CD1-CD1 4.45Å; R20-I26 HydrophobicContact CG-CD1 4.47Å; R20-I26 HydrophobicContact CG-CG1 3.56Å; I26-V29 HydrophobicContact CG2-CG2 3.91Å; I26-V51 HydrophobicContact CB-CG1 4.42Å; I26-V51 HydrophobicContact CG2-CG1 4.04Å
27V98.3Very high94.6Very high23 Ų2357 Ų5714%0.13932%0.315CS..EExtended strand (participates in β ladder)trans-93.5-14-174.2-66.20000113.6K2 I3 T25 T76 A78K2-V27 HydrophobicContact CB-CG1 3.64Å; K2-V27 HydrophobicContact CB-CG2 4.4Å; K2-V27 HydrophobicContact CD-CG1 4.07Å; K2-V27 HydrophobicContact CG-CG1 3.79Å; I3-V27 WeakPolarHBondContact O-CG2 3.04Å; I3-V27 PolarHBondContact O-N 3.24Å; T25-V27 HydrophobicContact CG2-CG1 4.23Å; T25-V27 PolarHBondContact O-N 3.4Å; V27-T76 WeakPolarHBondContact CB-O 3.31Å; V27-A78 HydrophobicContact CG2-CB 3.92Å
28G98.1Very high93.8Very high0 Ų058.5 Ų58.50%032%0.322CS..EExtended strand (participates in β ladder)trans-173145.9174.600000111.4A4 V5 P52A4-G28 WeakPolarHBondContact CA-O 3.48Å; V5-G28 PolarHBondContact N-O 3.45Å; G28-P52 WeakPolarHBondContact CA-O 3.4Å
29V98.4Very high93.4Very high0 Ų057.1 Ų57.10%032%0.32CS..EExtended strand (participates in β ladder)trans-116.9124.8174.4168.60000108.6V5 Y16 I26 L42 A46 V51 P52 V53 F54V5-V29 HydrophobicContact CB-CG2 4.41Å; V5-V29 CarbonylContact O-C 3.59Å; V5-V29 WeakPolarHBondContact O-CA 3.48Å; Y16-V29 HydrophobicContact CD2-CG2 3.93Å; Y16-V29 HydrophobicContact CE2-CG2 3.98Å; I26-V29 HydrophobicContact CG2-CG2 3.91Å; V29-L42 HydrophobicContact CG1-CD1 4.05Å; V29-L42 HydrophobicContact CG1-CD2 3.89Å; V29-L42 HydrophobicContact CG1-CG 3.62Å; V29-L42 HydrophobicContact CG2-CD1 4.47Å; V29-A46 HydrophobicContact CB-CB 4.02Å; V29-A46 HydrophobicContact CG1-CB 4.19Å; V29-A46 HydrophobicContact CG2-CB 3.71Å; V29-V51 HydrophobicContact CG2-CG1 4.05Å; V29-P52 PolarHBondContact N-O 2.89Å; V29-V53 HydrophobicContact CB-CG2 4.3Å; V29-V53 CarbonylContact O-C 3.27Å; V29-V53 WeakPolarHBondContact O-CA 3.22Å; V29-F54 PolarHBondContact O-N 3.42Å
30F97.9Very high93.1Very high4 Ų457.8 Ų57.82%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-116.2112.5178.9-56.4-102000108.2A4 V5 I6 G7 F54 F56 W59 Y73 T76A4-F30 HydrophobicContact CB-CD2 4.5Å; A4-F30 HydrophobicContact CB-CE2 4.08Å; V5-F30 PolarHBondContact O-N 3.36Å; I6-F30 CarbonylContact C-O 3.48Å; I6-F30 WeakPolarHBondContact CA-O 3.4Å; I6-F30 HydrophobicContact CB-CB 4.33Å; I6-F30 HydrophobicContact CG1-CB 4.09Å; I6-F30 HydrophobicContact CG1-CD2 3.91Å; I6-F30 HydrophobicContact CG1-CG 4.25Å; I6-F30 HydrophobicContact CG2-CB 4.08Å; G7-F30 PolarHBondContact N-O 2.9Å; F30-F54 WeakPolarHBondContact CA-O 3.48Å; F30-F54 HydrophobicContact CD1-CB 3.56Å; F30-F54 AromaticContact CD1-CD2 3.89Å; F30-F54 HydrophobicContact CD1-CD2 3.89Å; F30-F54 AromaticContact CD1-CG 3.9Å; F30-F54 HydrophobicContact CD1-CG 3.9Å; F30-F54 HydrophobicContact CD2-CD2 4.47Å; F30-F54 HydrophobicContact CE1-CB 3.85Å; F30-F54 HydrophobicContact CE1-CD1 4.36Å; F30-F54 AromaticContact CE1-CD2 3.49Å; F30-F54 HydrophobicContact CE1-CD2 3.49Å; F30-F54 VanDerWaalsContact CE1-CD2 3.49Å; F30-F54 HydrophobicContact CE1-CE2 4.11Å; F30-F54 AromaticContact CE1-CG 3.64Å; F30-F54 HydrophobicContact CE1-CG 3.64Å; F30-F54 HydrophobicContact CE2-CD2 4.12Å; F30-F54 HydrophobicContact CE2-CE2 4.45Å; F30-F54 HydrophobicContact CG-CB 4.26Å; F30-F54 HydrophobicContact CG-CD2 4.34Å; F30-F54 AromaticContact CZ-CD2 3.59Å; F30-F54 HydrophobicContact CZ-CD2 3.59Å; F30-F54 AromaticContact CZ-CE2 3.85Å; F30-F54 HydrophobicContact CZ-CE2 3.85Å; F30-F54 HydrophobicContact CZ-CG 4.22Å; F30-F56 HydrophobicContact CD1-CD2 4.04Å; F30-F56 AromaticContact CD1-CE2 3.71Å; F30-F56 HydrophobicContact CD1-CE2 3.71Å; F30-F56 AromaticContact CE1-CE2 3.82Å; F30-F56 HydrophobicContact CE1-CE2 3.82Å; F30-W59 HydrophobicContact CB-CH2 4.1Å; F30-W59 HydrophobicContact CB-CZ2 3.78Å; F30-W59 AromaticContact CD1-CH2 3.62Å; F30-W59 HydrophobicContact CD1-CH2 3.62Å; F30-W59 HydrophobicContact CD1-CZ2 4.01Å; F30-W59 HydrophobicContact CE1-CH2 4.28Å; F30-W59 AromaticContact CG-CH2 3.92Å; F30-W59 HydrophobicContact CG-CH2 3.92Å; F30-W59 HydrophobicContact CG-CZ2 4.11Å; F30-Y73 HydrophobicContact CE1-CD2 4.23Å; F30-Y73 AromaticContact CE2-CD2 3.86Å; F30-Y73 HydrophobicContact CE2-CD2 3.86Å; F30-Y73 AromaticContact CZ-CD2 3.66Å; F30-Y73 HydrophobicContact CZ-CD2 3.66Å; F30-Y73 HydrophobicContact CZ-CG 4.31Å; F30-T76 HydrophobicContact CE2-CG2 4.38Å; F30-T76 HydrophobicContact CZ-CG2 3.93Å
31T96.4Very high92.7Very high11 Ų1155.2 Ų55.27%0.06732%0.32CS..  trans-136.2-179.9-175.6-173.50000110.8G7 D40 A43 V53 F54 K55G7-T31 VanDerWaalsContact O-CA 3.26Å; G7-T31 WeakPolarHBondContact O-CA 3.29Å; G7-T31 WeakPolarHBondContact O-CB 3.38Å; G7-T31 PolarHBondContact O-OG1 3.46Å; T31-D40 HydrophobicContact CG2-CB 4.39Å; T31-D40 VanDerWaalsContact OG1-CG 3.25Å; T31-D40 PolarHBondContact OG1-OD1 2.63Å; T31-A43 HydrophobicContact CG2-CB 3.75Å; T31-V53 HydrophobicContact CG2-CG1 4.23Å; T31-F54 PolarHBondContact N-O 3.21Å; T31-K55 HydrophobicContact CG2-CG 4.32Å; T31-K55 WeakPolarHBondContact O-CA 3.41Å
32I93.1Very high92.6Very high51 Ų5147.7 Ų47.726%0.26229%0.287SS..PPolyproline II helixtrans-71.4154.9-178.456.6169.4000112.3Q8 D40Q8-I32 HydrophobicContact CB-CG1 4.33Å; I32-D40 HydrophobicContact CG1-CB 4.01Å
33P92.8Very high92.6Very high52 Ų5245.1 Ų45.134%0.33827%0.273SS..PPolyproline II helixtrans-57.1153.6167.6-22.533.7000112.6K35 P57P33-K35 PolarHBondContact O-N 3.2Å; P33-P57 HydrophobicContact CG-CB 4.08Å
34D90.9Very high92.5Very high79 Ų7945.8 Ų45.842%0.42227%0.265SS..PPolyproline II helixtrans-61.4134174.5-61.9-11.7000109.4K38 A39 K55D34-K38 WeakPolarHBondContact CA-O 3.4Å; D34-A39 VanDerWaalsContact OD1-CA 3.3Å; D34-A39 WeakPolarHBondContact OD1-CA 3.31Å; D34-K55 VanDerWaalsContact CG-NZ 3.33Å; D34-K55 WeakPolarHBondContact OD1-CD 3.42Å; D34-K55 WeakPolarHBondContact OD1-CE 3.34Å; D34-K55 IonicContact OD1-NZ 3.25Å; D34-K55 PolarHBondContact OD1-NZ 2.9Å; D34-K55 IonicContact OD2-NZ 3.84Å; D34-K55 PolarHBondContact OD2-NZ 2.87Å
35K83.5Confident92.4Very high151 Ų15145.6 Ų45.666%0.65727%0.266SS*.BIsolated β-bridgetrans-112.9125.8-179.2-168.8-176174.1-1740108.6P33 G37 K38P33-K35 PolarHBondContact O-N 3.2Å; K35-G37 PolarHBondContact O-N 2.79Å; K35-G37 VanDerWaalsContact O-N 3.17Å; K35-K38 PolarHBondContact N-O 2.81Å; K35-K38 VanDerWaalsContact N-O 3.08Å; K35-K38 WeakPolarHBondContact O-CB 3.42Å; K35-K38 PolarHBondContact O-N 2.94Å
36D80.8Confident92.4Very high133 Ų13341.6 Ų41.671%0.71124%0.241SC*.THydrogen-bonded Turntrans53.337.2179.1-51.6-42.5000113.1K38D36-K38 PolarHBondContact O-N 3.38Å
37G80.4Confident92.3Very high75 Ų7545.6 Ų45.677%0.77326%0.259SS*.THydrogen-bonded Turntrans75.42.6-17800000115.1K35K35-G37 PolarHBondContact O-N 2.79Å; K35-G37 VanDerWaalsContact O-N 3.17Å
38K80.6Confident92.2Very high106 Ų10653.1 Ų53.146%0.46129%0.29SS..BIsolated β-bridgetrans-99.3121.3177.1-164.1173.8-171.8173.50110.3D34 K35 D36 G351 D356D34-K38 WeakPolarHBondContact CA-O 3.4Å; K35-K38 PolarHBondContact N-O 2.81Å; K35-K38 VanDerWaalsContact N-O 3.08Å; K35-K38 WeakPolarHBondContact O-CB 3.42Å; K35-K38 PolarHBondContact O-N 2.94Å; D36-K38 PolarHBondContact O-N 3.38Å; K38-G351 PolarHBondContact NZ-O 2.7Å; K38-D356 IonicContact NZ-OD2 3.73Å
39A89.1Confident92.2Very high29 Ų2956.3 Ų56.324%0.2431%0.307CS..PPolyproline II helixtrans-72.9148.6172.600000111.5D34D34-A39 VanDerWaalsContact OD1-CA 3.3Å; D34-A39 WeakPolarHBondContact OD1-CA 3.31Å
40D91.8Very high92.1Very high14 Ų1459.5 Ų59.58%0.07534%0.34CS..PPolyproline II helixtrans-64138172.8178.5-100.6000110.9S9 T31 I32 L42 A43 T44S9-D40 PolarHBondContact N-OD2 3.37Å; T31-D40 HydrophobicContact CG2-CB 4.39Å; T31-D40 VanDerWaalsContact OG1-CG 3.25Å; T31-D40 PolarHBondContact OG1-OD1 2.63Å; I32-D40 HydrophobicContact CG1-CB 4.01Å; D40-L42 PolarHBondContact O-N 3.42Å; D40-L42 VanDerWaalsContact O-N 3.12Å; D40-L42 VanDerWaalsContact OD1-CB 3.23Å; D40-L42 WeakPolarHBondContact OD1-CB 3.35Å; D40-L42 PolarHBondContact OD1-N 3.29Å; D40-A43 HydrophobicContact CB-CB 4.44Å; D40-A43 WeakPolarHBondContact O-CA 3.32Å; D40-A43 WeakPolarHBondContact O-CB 3.42Å; D40-A43 PolarHBondContact O-N 3.22Å; D40-T44 PolarHBondContact O-N 2.85Å; D40-T44 PolarHBondContact O-OG1 3.04Å
41P89.9Confident92.1Very high43 Ų4360 Ų6028%0.27934%0.343SS..Hα-helixtrans-57.7-29.4-176.9-26.834.7000114.9L10 V45L10-P41 HydrophobicContact CD2-CB 3.82Å; L10-P41 HydrophobicContact CD2-CG 3.98Å; L10-P41 HydrophobicContact CG-CG 4.49Å; P41-V45 PolarHBondContact O-N 2.82Å
42L95.3Very high92.2Very high0 Ų062.8 Ų62.80%036%0.361CS..Hα-helixtrans-71.8-38.3174.3170.563.1000111.2V5 G7 Q13 Y16 V29 D40 V45 A46V5-L42 HydrophobicContact CG1-CD2 4.04Å; G7-L42 WeakPolarHBondContact O-CD2 2.97Å; Q13-L42 HydrophobicContact CB-CB 4.39Å; Y16-L42 HydrophobicContact CD1-CD1 4.4Å; Y16-L42 HydrophobicContact CD2-CD1 4.19Å; Y16-L42 HydrophobicContact CG-CD1 3.79Å; V29-L42 HydrophobicContact CG1-CD1 4.05Å; V29-L42 HydrophobicContact CG1-CD2 3.89Å; V29-L42 HydrophobicContact CG1-CG 3.62Å; V29-L42 HydrophobicContact CG2-CD1 4.47Å; D40-L42 PolarHBondContact O-N 3.42Å; D40-L42 VanDerWaalsContact O-N 3.12Å; D40-L42 VanDerWaalsContact OD1-CB 3.23Å; D40-L42 WeakPolarHBondContact OD1-CB 3.35Å; D40-L42 PolarHBondContact OD1-N 3.29Å; L42-V45 HydrophobicContact CD1-CG1 4.41Å; L42-V45 WeakPolarHBondContact O-CG1 3.45Å; L42-A46 VanDerWaalsContact O-CB 3.29Å; L42-A46 WeakPolarHBondContact O-CB 3.36Å; L42-A46 PolarHBondContact O-N 2.9Å; L42-A46 VanDerWaalsContact O-N 3.16Å
43A96.5Very high92.4Very high0 Ų061.9 Ų61.90%036%0.358CS..Hα-helixtrans-59.9-50171.900000110.9T31 D40 V45 A46 E47 V53T31-A43 HydrophobicContact CG2-CB 3.75Å; D40-A43 HydrophobicContact CB-CB 4.44Å; D40-A43 WeakPolarHBondContact O-CA 3.32Å; D40-A43 WeakPolarHBondContact O-CB 3.42Å; D40-A43 PolarHBondContact O-N 3.22Å; A43-V45 VanDerWaalsContact C-N 3.34Å; A43-V45 PolarHBondContact O-N 3.2Å; A43-A46 PolarHBondContact O-N 3.18Å; A43-A46 VanDerWaalsContact O-N 3.13Å; A43-E47 WeakPolarHBondContact O-CB 3.34Å; A43-E47 WeakPolarHBondContact O-CG 3.46Å; A43-E47 PolarHBondContact O-N 2.93Å; A43-V53 HydrophobicContact CB-CG1 3.92Å
44T94Very high92.6Very high75 Ų7560.5 Ų60.546%0.4635%0.347SS..Hα-helixtrans-58.3-43.4-175.8-54.40000112.4D40 K48D40-T44 PolarHBondContact O-N 2.85Å; D40-T44 PolarHBondContact O-OG1 3.04Å; T44-K48 WeakPolarHBondContact O-CB 3.4Å; T44-K48 PolarHBondContact O-N 2.83Å
45V95.9Very high92.8Very high16 Ų1659.6 Ų59.610%0.09734%0.339CS..Hα-helixtrans-70.2-38.4178.4760000111.8Q13 Y16 K17 P41 L42 A43 K48 D49Q13-V45 HydrophobicContact CG-CB 4.16Å; Q13-V45 HydrophobicContact CG-CG1 3.71Å; Y16-V45 HydrophobicContact CD1-CG1 3.53Å; Y16-V45 HydrophobicContact CD1-CG2 4.5Å; Y16-V45 HydrophobicContact CE1-CB 4.4Å; Y16-V45 HydrophobicContact CE1-CG1 3.57Å; Y16-V45 HydrophobicContact CE1-CG2 4.06Å; Y16-V45 HydrophobicContact CG-CG1 4.43Å; K17-V45 HydrophobicContact CG-CG2 4.42Å; P41-V45 PolarHBondContact O-N 2.82Å; L42-V45 HydrophobicContact CD1-CG1 4.41Å; L42-V45 WeakPolarHBondContact O-CG1 3.45Å; A43-V45 VanDerWaalsContact C-N 3.34Å; A43-V45 PolarHBondContact O-N 3.2Å; V45-K48 PolarHBondContact O-N 2.96Å; V45-D49 VanDerWaalsContact O-CG 3.23Å; V45-D49 PolarHBondContact O-N 3.24Å; V45-D49 VanDerWaalsContact O-N 3.09Å
46A97.6Very high93.2Very high0 Ų053.3 Ų53.30%031%0.312CS..Hα-helixtrans-70.4-42.2-176.900000111.8Y16 V29 L42 A43 K48 D49 G50 V51 V53Y16-A46 HydrophobicContact CE2-CB 4.25Å; V29-A46 HydrophobicContact CB-CB 4.02Å; V29-A46 HydrophobicContact CG1-CB 4.19Å; V29-A46 HydrophobicContact CG2-CB 3.71Å; L42-A46 VanDerWaalsContact O-CB 3.29Å; L42-A46 WeakPolarHBondContact O-CB 3.36Å; L42-A46 PolarHBondContact O-N 2.9Å; L42-A46 VanDerWaalsContact O-N 3.16Å; A43-A46 PolarHBondContact O-N 3.18Å; A43-A46 VanDerWaalsContact O-N 3.13Å; A46-K48 VanDerWaalsContact C-N 3.35Å; A46-D49 CarbonylContact O-C 3.13Å; A46-D49 PolarHBondContact O-N 3.23Å; A46-G50 PolarHBondContact O-N 3.08Å; A46-V51 HydrophobicContact CB-CB 4.26Å; A46-V51 PolarHBondContact O-N 3.01Å; A46-V53 HydrophobicContact CB-CG2 3.52Å
47E97Very high93.7Very high95 Ų9550.5 Ų50.544%0.44430%0.301SS..Hα-helixtrans-59.3-45.1172.8-73.4168.1-174.200111A43 D49 G50 V53 K55A43-E47 WeakPolarHBondContact O-CB 3.34Å; A43-E47 WeakPolarHBondContact O-CG 3.46Å; A43-E47 PolarHBondContact O-N 2.93Å; E47-D49 VanDerWaalsContact C-N 3.25Å; E47-D49 PolarHBondContact O-N 2.85Å; E47-G50 PolarHBondContact O-N 3.32Å; E47-V53 HydrophobicContact CG-CB 4.13Å; E47-V53 HydrophobicContact CG-CG2 3.72Å; E47-K55 WeakPolarHBondContact OE1-CE 3.5Å; E47-K55 IonicContact OE1-NZ 3.54Å; E47-K55 PolarHBondContact OE1-NZ 3.26Å
48K96.6Very high94.2Very high182 Ų18255 Ų5579%0.79130%0.295SS*.Hα-helixtrans-59.2-36.9176.9-177.3180178.4-179.40112.5T44 V45 A46 G50T44-K48 WeakPolarHBondContact O-CB 3.4Å; T44-K48 PolarHBondContact O-N 2.83Å; V45-K48 PolarHBondContact O-N 2.96Å; A46-K48 VanDerWaalsContact C-N 3.35Å; K48-G50 VanDerWaalsContact C-N 3.27Å; K48-G50 PolarHBondContact O-N 2.93Å
49D96.9Very high94.8Very high67 Ų6750.6 Ų50.636%0.35828%0.275SS..THydrogen-bonded Turntrans-86.85.6179.3-57.9-28.8000113.6Y16 R20 V45 A46 E47 V51Y16-D49 VanDerWaalsContact CE1-OD2 3.28Å; Y16-D49 WeakPolarHBondContact CE1-OD2 3.44Å; Y16-D49 WeakPolarHBondContact OH-CB 3.43Å; Y16-D49 PolarHBondContact OH-OD2 3.47Å; R20-D49 IonicContact CZ-OD2 3.58Å; R20-D49 IonicContact NH1-OD2 3.41Å; V45-D49 VanDerWaalsContact O-CG 3.23Å; V45-D49 PolarHBondContact O-N 3.24Å; V45-D49 VanDerWaalsContact O-N 3.09Å; A46-D49 CarbonylContact O-C 3.13Å; A46-D49 PolarHBondContact O-N 3.23Å; E47-D49 VanDerWaalsContact C-N 3.25Å; E47-D49 PolarHBondContact O-N 2.85Å; D49-V51 VanDerWaalsContact C-N 3.31Å; D49-V51 HydrophobicContact CB-CG2 4.42Å; D49-V51 PolarHBondContact O-N 2.74Å
50G97.3Very high94.9Very high66 Ų6652.7 Ų52.768%0.6828%0.277SS*.THydrogen-bonded Turntrans70.819.9179.900000114.9A46 E47 K48A46-G50 PolarHBondContact O-N 3.08Å; E47-G50 PolarHBondContact O-N 3.32Å; K48-G50 VanDerWaalsContact C-N 3.27Å; K48-G50 PolarHBondContact O-N 2.93Å
51V98.1Very high94.9Very high14 Ų1456.1 Ų56.19%0.08530%0.298CS..  trans-82.8137.7176.7177.30000109.6Y16 I26 V29 A46 D49 V53Y16-V51 HydrophobicContact CE2-CG2 4.31Å; Y16-V51 WeakPolarHBondContact OH-CG2 3.18Å; I26-V51 HydrophobicContact CB-CG1 4.42Å; I26-V51 HydrophobicContact CG2-CG1 4.04Å; V29-V51 HydrophobicContact CG2-CG1 4.05Å; A46-V51 HydrophobicContact CB-CB 4.26Å; A46-V51 PolarHBondContact O-N 3.01Å; D49-V51 VanDerWaalsContact C-N 3.31Å; D49-V51 HydrophobicContact CB-CG2 4.42Å; D49-V51 PolarHBondContact O-N 2.74Å; V51-V53 WeakPolarHBondContact O-CG2 3.07Å; V51-V53 PolarHBondContact O-N 3.48Å
52P97.9Very high94.8Very high70 Ų7063.9 Ų63.946%0.45533%0.328SS..  trans-57123.8174.8-2635.4000112.2G28 V29 F54G28-P52 WeakPolarHBondContact CA-O 3.4Å; V29-P52 PolarHBondContact N-O 2.89Å; P52-F54 HydrophobicContact CB-CE2 3.74Å; P52-F54 HydrophobicContact CB-CZ 3.97Å
53V98.2Very high94.3Very high32 Ų3266.4 Ų66.419%0.19435%0.354CS..EExtended strand (participates in β ladder)trans-111.5132.9177.3-179.10000110.4V29 T31 A43 A46 E47 V51 K55V29-V53 HydrophobicContact CB-CG2 4.3Å; V29-V53 CarbonylContact O-C 3.27Å; V29-V53 WeakPolarHBondContact O-CA 3.22Å; T31-V53 HydrophobicContact CG2-CG1 4.23Å; A43-V53 HydrophobicContact CB-CG1 3.92Å; A46-V53 HydrophobicContact CB-CG2 3.52Å; E47-V53 HydrophobicContact CG-CB 4.13Å; E47-V53 HydrophobicContact CG-CG2 3.72Å; V51-V53 WeakPolarHBondContact O-CG2 3.07Å; V51-V53 PolarHBondContact O-N 3.48Å; V53-K55 HydrophobicContact CG1-CG 4.22Å
54F97.1Very high94.1Very high24 Ų2473.7 Ų73.711%0.10539%0.388CS..EExtended strand (participates in β ladder)trans-122.9122.2-179.8-55.6-90000109.5V29 F30 T31 P52 F56 R72 T76V29-F54 PolarHBondContact O-N 3.42Å; F30-F54 WeakPolarHBondContact CA-O 3.48Å; F30-F54 HydrophobicContact CD1-CB 3.56Å; F30-F54 AromaticContact CD1-CD2 3.89Å; F30-F54 HydrophobicContact CD1-CD2 3.89Å; F30-F54 AromaticContact CD1-CG 3.9Å; F30-F54 HydrophobicContact CD1-CG 3.9Å; F30-F54 HydrophobicContact CD2-CD2 4.47Å; F30-F54 HydrophobicContact CE1-CB 3.85Å; F30-F54 HydrophobicContact CE1-CD1 4.36Å; F30-F54 AromaticContact CE1-CD2 3.49Å; F30-F54 HydrophobicContact CE1-CD2 3.49Å; F30-F54 VanDerWaalsContact CE1-CD2 3.49Å; F30-F54 HydrophobicContact CE1-CE2 4.11Å; F30-F54 AromaticContact CE1-CG 3.64Å; F30-F54 HydrophobicContact CE1-CG 3.64Å; F30-F54 HydrophobicContact CE2-CD2 4.12Å; F30-F54 HydrophobicContact CE2-CE2 4.45Å; F30-F54 HydrophobicContact CG-CB 4.26Å; F30-F54 HydrophobicContact CG-CD2 4.34Å; F30-F54 AromaticContact CZ-CD2 3.59Å; F30-F54 HydrophobicContact CZ-CD2 3.59Å; F30-F54 AromaticContact CZ-CE2 3.85Å; F30-F54 HydrophobicContact CZ-CE2 3.85Å; F30-F54 HydrophobicContact CZ-CG 4.22Å; T31-F54 PolarHBondContact N-O 3.21Å; P52-F54 HydrophobicContact CB-CE2 3.74Å; P52-F54 HydrophobicContact CB-CZ 3.97Å; F54-F56 HydrophobicContact CB-CD2 4.11Å; F54-F56 HydrophobicContact CB-CE2 3.63Å; F54-F56 HydrophobicContact CB-CZ 3.94Å; F54-F56 HydrophobicContact CD1-CE2 4.21Å; F54-F56 AromaticContact CD1-CZ 3.82Å; F54-F56 HydrophobicContact CD1-CZ 3.82Å; F54-F56 HydrophobicContact CG-CE2 4.17Å; F54-F56 HydrophobicContact CG-CZ 4.23Å; F54-R72 VanDerWaalsContact CD1-NH2 3.25Å; F54-R72 HydrophobicContact CE1-CB 4.31Å; F54-T76 HydrophobicContact CE2-CG2 4.08Å; F54-T76 HydrophobicContact CZ-CG2 4.32Å
55K95.2Very high94.1Very high59 Ų5970.9 Ų70.926%0.25737%0.373SS..  trans-11469.2-177.6-62.5-177.4-171.91740110.4T31 D34 E47 V53T31-K55 HydrophobicContact CG2-CG 4.32Å; T31-K55 WeakPolarHBondContact O-CA 3.41Å; D34-K55 VanDerWaalsContact CG-NZ 3.33Å; D34-K55 WeakPolarHBondContact OD1-CD 3.42Å; D34-K55 WeakPolarHBondContact OD1-CE 3.34Å; D34-K55 IonicContact OD1-NZ 3.25Å; D34-K55 PolarHBondContact OD1-NZ 2.9Å; D34-K55 IonicContact OD2-NZ 3.84Å; D34-K55 PolarHBondContact OD2-NZ 2.87Å; E47-K55 WeakPolarHBondContact OE1-CE 3.5Å; E47-K55 IonicContact OE1-NZ 3.54Å; E47-K55 PolarHBondContact OE1-NZ 3.26Å; V53-K55 HydrophobicContact CG1-CG 4.22Å
56F92.1Very high94Very high19 Ų1972.1 Ų72.18%0.08338%0.378CS..  trans-79.4126.6-178.1-59.9-55.5000110.4F30 F54 W58 V69 R72F30-F56 HydrophobicContact CD1-CD2 4.04Å; F30-F56 AromaticContact CD1-CE2 3.71Å; F30-F56 HydrophobicContact CD1-CE2 3.71Å; F30-F56 AromaticContact CE1-CE2 3.82Å; F30-F56 HydrophobicContact CE1-CE2 3.82Å; F54-F56 HydrophobicContact CB-CD2 4.11Å; F54-F56 HydrophobicContact CB-CE2 3.63Å; F54-F56 HydrophobicContact CB-CZ 3.94Å; F54-F56 HydrophobicContact CD1-CE2 4.21Å; F54-F56 AromaticContact CD1-CZ 3.82Å; F54-F56 HydrophobicContact CD1-CZ 3.82Å; F54-F56 HydrophobicContact CG-CE2 4.17Å; F54-F56 HydrophobicContact CG-CZ 4.23Å; F56-W58 VanDerWaalsContact C-N 3.25Å; F56-W58 PolarHBondContact O-N 2.86Å; F56-V69 HydrophobicContact CD1-CG2 3.76Å; F56-V69 HydrophobicContact CD2-CB 4.45Å; F56-V69 HydrophobicContact CD2-CG1 3.57Å; F56-V69 HydrophobicContact CD2-CG2 4.27Å; F56-V69 HydrophobicContact CE1-CG2 3.94Å; F56-V69 HydrophobicContact CE2-CB 4.36Å; F56-V69 HydrophobicContact CE2-CG1 3.66Å; F56-V69 HydrophobicContact CE2-CG2 4.41Å; F56-V69 HydrophobicContact CG-CG1 4.04Å; F56-V69 HydrophobicContact CG-CG2 3.94Å; F56-V69 HydrophobicContact CZ-CB 4.44Å; F56-V69 HydrophobicContact CZ-CG1 4.22Å; F56-V69 HydrophobicContact CZ-CG2 4.26Å; F56-R72 HydrophobicContact CZ-CB 4.15Å
57P90.1Very high93.9Very high75 Ų7576.5 Ų76.549%0.48741%0.407SS..SBendtrans-66.2-33.7176.126.2-33000111.4P33 Q88P33-P57 HydrophobicContact CG-CB 4.08Å; P57-Q88 PolarHBondContact O-NE2 3.46Å
58W91.1Very high93.8Very high170 Ų17078 Ų7864%0.64441%0.414SS*.  trans-143.1145.1-178.3-51.7104.4000110.5F56 I66F56-W58 VanDerWaalsContact C-N 3.25Å; F56-W58 PolarHBondContact O-N 2.86Å; W58-I66 HydrophobicContact CB-CD1 4.32Å; W58-I66 WeakPolarHBondContact O-CD1 3.44Å
59W93.4Very high93.7Very high13 Ų1369.7 Ų69.75%0.04938%0.378CS..SBendtrans-93.7-18.3170.3-70.180.5000113.4I6 F30 I66 V69 I90 P91 V94I6-W59 HydrophobicContact CD1-CH2 4.23Å; I6-W59 HydrophobicContact CG2-CH2 4.45Å; I6-W59 HydrophobicContact CG2-CZ2 3.84Å; F30-W59 HydrophobicContact CB-CH2 4.1Å; F30-W59 HydrophobicContact CB-CZ2 3.78Å; F30-W59 AromaticContact CD1-CH2 3.62Å; F30-W59 HydrophobicContact CD1-CH2 3.62Å; F30-W59 HydrophobicContact CD1-CZ2 4.01Å; F30-W59 HydrophobicContact CE1-CH2 4.28Å; F30-W59 AromaticContact CG-CH2 3.92Å; F30-W59 HydrophobicContact CG-CH2 3.92Å; F30-W59 HydrophobicContact CG-CZ2 4.11Å; W59-I66 PolarHBondContact O-N 2.77Å; W59-V69 HydrophobicContact CD2-CG1 4.11Å; W59-V69 HydrophobicContact CE3-CG1 3.54Å; W59-V69 HydrophobicContact CZ3-CG1 3.84Å; W59-I90 HydrophobicContact CD2-CD1 3.76Å; W59-I90 VanDerWaalsContact CE2-CD1 3.4Å; W59-I90 HydrophobicContact CE3-CD1 4.48Å; W59-I90 HydrophobicContact CE3-CG2 4.45Å; W59-I90 HydrophobicContact CG-CD1 3.96Å; W59-I90 HydrophobicContact CZ2-CD1 3.84Å; W59-P91 HydrophobicContact CB-CG 3.84Å; W59-P91 HydrophobicContact CE3-CG 4.39Å; W59-V94 HydrophobicContact CE3-CG2 4.09Å; W59-V94 HydrophobicContact CH2-CG1 4.32Å; W59-V94 HydrophobicContact CZ3-CB 4.35Å; W59-V94 HydrophobicContact CZ3-CG1 3.87Å; W59-V94 HydrophobicContact CZ3-CG2 3.77Å
60R91.6Very high93.6Very high72 Ų7266.9 Ų66.927%0.27236%0.363SS..EExtended strand (participates in β ladder)trans-132.6151-176.8-64.4-178.4176.5-965.3111.3G63 Q64 P91R60-G63 PolarHBondContact NH1-O 2.85Å; R60-Q64 CarbonylContact C-O 3.49Å; R60-Q64 WeakPolarHBondContact CA-O 3.39Å; R60-Q64 VanDerWaalsContact CB-O 3.29Å; R60-Q64 WeakPolarHBondContact CB-O 3.41Å; R60-P91 HydrophobicContact CG-CG 3.97Å
61V90.8Very high93.6Very high87 Ų8768.4 Ų68.453%0.52736%0.356SS..EExtended strand (participates in β ladder)trans-128.6128.5165.8172.30000107.7G63 Q64 I66V61-G63 PolarHBondContact O-N 3.18Å; V61-Q64 PolarHBondContact N-O 3.49Å; V61-Q64 PolarHBondContact O-N 3Å; V61-I66 HydrophobicContact CB-CG1 4.42Å; V61-I66 HydrophobicContact CG2-CD1 3.79Å; V61-I66 HydrophobicContact CG2-CG1 3.83Å
62K87.7Confident93.5Very high205 Ų20572.9 Ų72.989%0.89137%0.371SS*.THydrogen-bonded Turntrans50.640.1-177.3-61.2179.3178.6-179.50113.3Q64K62-Q64 VanDerWaalsContact C-N 3.26Å; K62-Q64 PolarHBondContact O-N 2.97Å
63G85.9Confident93.4Very high54 Ų5469.5 Ų69.556%0.55735%0.35SS*.THydrogen-bonded Turntrans80.4-8.5178.700000115.6R60 V61R60-G63 PolarHBondContact NH1-O 2.85Å; V61-G63 PolarHBondContact O-N 3.18Å
64Q90.8Very high93.4Very high153 Ų15372.1 Ų72.172%0.71536%0.358SS*.EExtended strand (participates in β ladder)trans-100.1144.4177.9-65.2-173.7-11.500111.5R60 V61 K62R60-Q64 CarbonylContact C-O 3.49Å; R60-Q64 WeakPolarHBondContact CA-O 3.39Å; R60-Q64 VanDerWaalsContact CB-O 3.29Å; R60-Q64 WeakPolarHBondContact CB-O 3.41Å; V61-Q64 PolarHBondContact N-O 3.49Å; V61-Q64 PolarHBondContact O-N 3Å; K62-Q64 VanDerWaalsContact C-N 3.26Å; K62-Q64 PolarHBondContact O-N 2.97Å
65A94Very high93.4Very high16 Ų1675.1 Ų75.113%0.13239%0.387CS..EExtended strand (participates in β ladder)trans-60.5138.3174.500000110.7P67 V70 P91A65-P67 VanDerWaalsContact O-CD 3.27Å; A65-P67 WeakPolarHBondContact O-CD 3.12Å; A65-V70 HydrophobicContact CB-CG2 3.76Å; A65-P91 HydrophobicContact CB-CB 3.7Å; A65-P91 HydrophobicContact CB-CG 3.88Å
66I95.5Very high93.4Very high41 Ų4173.3 Ų73.321%0.2138%0.382CS..PPolyproline II helixtrans-74.6116.6177.3-58.9170.8000108.1W58 W59 V61 E68 V69 V70W58-I66 HydrophobicContact CB-CD1 4.32Å; W58-I66 WeakPolarHBondContact O-CD1 3.44Å; W59-I66 PolarHBondContact O-N 2.77Å; V61-I66 HydrophobicContact CB-CG1 4.42Å; V61-I66 HydrophobicContact CG2-CD1 3.79Å; V61-I66 HydrophobicContact CG2-CG1 3.83Å; I66-E68 VanDerWaalsContact C-N 3.32Å; I66-E68 HydrophobicContact CG2-CB 4.46Å; I66-E68 PolarHBondContact O-N 2.61Å; I66-V69 HydrophobicContact CB-CB 4.06Å; I66-V69 HydrophobicContact CB-CG2 3.86Å; I66-V69 HydrophobicContact CD1-CG2 4.25Å; I66-V69 HydrophobicContact CG2-CB 4.37Å; I66-V69 HydrophobicContact CG2-CG2 3.88Å; I66-V69 WeakPolarHBondContact O-CB 2.98Å; I66-V69 PolarHBondContact O-N 3.15Å; I66-V70 PolarHBondContact O-N 2.74Å; I66-V70 VanDerWaalsContact O-N 3.09Å
67P94.7Very high93.7Very high93 Ų9374.1 Ų74.160%0.60440%0.395SS*.Hα-helixtrans-56.1-43.3-172.9-28.236.4000113.4A65 V69 V70 D71A65-P67 VanDerWaalsContact O-CD 3.27Å; A65-P67 WeakPolarHBondContact O-CD 3.12Å; P67-V69 VanDerWaalsContact C-N 3.33Å; P67-V69 PolarHBondContact O-N 2.96Å; P67-V70 PolarHBondContact O-N 3.34Å; P67-D71 WeakPolarHBondContact O-CB 3.29Å; P67-D71 VanDerWaalsContact O-CG 3.31Å; P67-D71 PolarHBondContact O-N 3.24Å
68E94.6Very high94Very high127 Ų12770.9 Ų70.959%0.59338%0.375SS*.Hα-helixtrans-60-41.1178.2-170-164.8150.200112.6I66 D71 R72I66-E68 VanDerWaalsContact C-N 3.32Å; I66-E68 HydrophobicContact CG2-CB 4.46Å; I66-E68 PolarHBondContact O-N 2.61Å; E68-D71 PolarHBondContact O-N 3.45Å; E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 VanDerWaalsContact O-CG 3.26Å; E68-R72 WeakPolarHBondContact O-CG 3.28Å; E68-R72 PolarHBondContact O-N 2.91Å
69V94.4Very high94.4Very high7 Ų765.2 Ų65.24%0.04236%0.355CS..Hα-helixtrans-65.2-44.3178.3170.70000110.2F56 W59 I66 P67 Y73F56-V69 HydrophobicContact CD1-CG2 3.76Å; F56-V69 HydrophobicContact CD2-CB 4.45Å; F56-V69 HydrophobicContact CD2-CG1 3.57Å; F56-V69 HydrophobicContact CD2-CG2 4.27Å; F56-V69 HydrophobicContact CE1-CG2 3.94Å; F56-V69 HydrophobicContact CE2-CB 4.36Å; F56-V69 HydrophobicContact CE2-CG1 3.66Å; F56-V69 HydrophobicContact CE2-CG2 4.41Å; F56-V69 HydrophobicContact CG-CG1 4.04Å; F56-V69 HydrophobicContact CG-CG2 3.94Å; F56-V69 HydrophobicContact CZ-CB 4.44Å; F56-V69 HydrophobicContact CZ-CG1 4.22Å; F56-V69 HydrophobicContact CZ-CG2 4.26Å; W59-V69 HydrophobicContact CD2-CG1 4.11Å; W59-V69 HydrophobicContact CE3-CG1 3.54Å; W59-V69 HydrophobicContact CZ3-CG1 3.84Å; I66-V69 HydrophobicContact CB-CB 4.06Å; I66-V69 HydrophobicContact CB-CG2 3.86Å; I66-V69 HydrophobicContact CD1-CG2 4.25Å; I66-V69 HydrophobicContact CG2-CB 4.37Å; I66-V69 HydrophobicContact CG2-CG2 3.88Å; I66-V69 WeakPolarHBondContact O-CB 2.98Å; I66-V69 PolarHBondContact O-N 3.15Å; P67-V69 VanDerWaalsContact C-N 3.33Å; P67-V69 PolarHBondContact O-N 2.96Å; V69-Y73 WeakPolarHBondContact O-CB 3.24Å; V69-Y73 PolarHBondContact O-N 2.89Å
70V95.4Very high94.6Very high8 Ų864.6 Ų64.65%0.04835%0.353CS..Hα-helixtrans-63.8-44.2177.9175.90000110.9A65 I66 P67 Y73 K74 E93 V94A65-V70 HydrophobicContact CB-CG2 3.76Å; I66-V70 PolarHBondContact O-N 2.74Å; I66-V70 VanDerWaalsContact O-N 3.09Å; P67-V70 PolarHBondContact O-N 3.34Å; V70-Y73 WeakPolarHBondContact O-CB 3.36Å; V70-Y73 PolarHBondContact O-N 3.05Å; V70-K74 HydrophobicContact CG1-CD 3.97Å; V70-K74 VanDerWaalsContact CG1-CE 3.44Å; V70-K74 HydrophobicContact CG1-CG 4.33Å; V70-K74 VanDerWaalsContact O-CG 3.3Å; V70-K74 WeakPolarHBondContact O-CG 3.4Å; V70-K74 PolarHBondContact O-N 2.93Å; V70-E93 HydrophobicContact CG1-CB 4.29Å; V70-V94 HydrophobicContact CG2-CG2 4.19Å
71D96.1Very high95Very high98 Ų9861.1 Ų61.152%0.52434%0.34SS..Hα-helixtrans-66.7-41.8-179.7-70.7-20.4000111.8P67 E68 Y73 K74 A75P67-D71 WeakPolarHBondContact O-CB 3.29Å; P67-D71 VanDerWaalsContact O-CG 3.31Å; P67-D71 PolarHBondContact O-N 3.24Å; E68-D71 PolarHBondContact O-N 3.45Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 3.49Å; D71-K74 PolarHBondContact O-N 3.47Å; D71-A75 WeakPolarHBondContact O-CB 3.4Å; D71-A75 PolarHBondContact O-N 3.17Å
72R95.9Very high95.4Very high107 Ų10757 Ų5740%0.40432%0.315SS..Hα-helixtrans-61.1-39172.8-73.8-179.769.4171.62.6112F54 F56 E68F54-R72 VanDerWaalsContact CD1-NH2 3.25Å; F54-R72 HydrophobicContact CE1-CB 4.31Å; F56-R72 HydrophobicContact CZ-CB 4.15Å; E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 VanDerWaalsContact O-CG 3.26Å; E68-R72 WeakPolarHBondContact O-CG 3.28Å; E68-R72 PolarHBondContact O-N 2.91Å
73Y97.6Very high95.9Very high0 Ų047.4 Ų47.40%027%0.273CS..Hα-helixtrans-64.5-50.8173.9163.2-94.3000111.8A4 I6 F30 V69 V70 D71 A75 T76 N81 V94 H97 P98A4-Y73 HydrophobicContact CB-CE2 4.01Å; I6-Y73 HydrophobicContact CD1-CE2 4.47Å; F30-Y73 HydrophobicContact CE1-CD2 4.23Å; F30-Y73 AromaticContact CE2-CD2 3.86Å; F30-Y73 HydrophobicContact CE2-CD2 3.86Å; F30-Y73 AromaticContact CZ-CD2 3.66Å; F30-Y73 HydrophobicContact CZ-CD2 3.66Å; F30-Y73 HydrophobicContact CZ-CG 4.31Å; V69-Y73 WeakPolarHBondContact O-CB 3.24Å; V69-Y73 PolarHBondContact O-N 2.89Å; V70-Y73 WeakPolarHBondContact O-CB 3.36Å; V70-Y73 PolarHBondContact O-N 3.05Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 3.49Å; Y73-A75 PolarHBondContact O-N 3.38Å; Y73-T76 WeakPolarHBondContact O-CB 3.43Å; Y73-T76 WeakPolarHBondContact O-CG2 3.47Å; Y73-T76 PolarHBondContact O-N 3.37Å; Y73-T76 PolarHBondContact O-OG1 3Å; Y73-N81 WeakPolarHBondContact CE2-OD1 3.3Å; Y73-N81 PolarHBondContact OH-ND2 3.16Å; Y73-N81 PolarHBondContact OH-OD1 3.05Å; Y73-V94 HydrophobicContact CD1-CB 4.19Å; Y73-V94 HydrophobicContact CD1-CG1 3.85Å; Y73-V94 HydrophobicContact CD1-CG2 3.95Å; Y73-V94 HydrophobicContact CD2-CG1 3.86Å; Y73-V94 HydrophobicContact CE1-CB 4.19Å; Y73-V94 HydrophobicContact CE1-CG1 3.76Å; Y73-V94 HydrophobicContact CE1-CG2 4.43Å; Y73-V94 HydrophobicContact CE2-CG1 3.78Å; Y73-V94 HydrophobicContact CG-CG1 3.91Å; Y73-V94 HydrophobicContact CG-CG2 4.27Å; Y73-V94 PolarHBondContact OH-O 2.81Å; Y73-H97 HydrophobicContact CE1-CB 3.77Å; Y73-H97 AromaticContact CE1-CD2 3.52Å; Y73-H97 AromaticContact CE1-CG 3.86Å; Y73-P98 WeakPolarHBondContact OH-CD 3.46Å
74K96.6Very high96.3Very high86 Ų8644.9 Ų44.937%0.37425%0.247SC..Hα-helixtrans-59.3-36.1-179.7-72.1176.6177.2169.20112.3V70 D71 T76 G77V70-K74 HydrophobicContact CG1-CD 3.97Å; V70-K74 VanDerWaalsContact CG1-CE 3.44Å; V70-K74 HydrophobicContact CG1-CG 4.33Å; V70-K74 VanDerWaalsContact O-CG 3.3Å; V70-K74 WeakPolarHBondContact O-CG 3.4Å; V70-K74 PolarHBondContact O-N 2.93Å; D71-K74 PolarHBondContact O-N 3.47Å; K74-T76 PolarHBondContact O-N 3.41Å; K74-T76 VanDerWaalsContact O-N 3.11Å; K74-G77 PolarHBondContact O-N 3.13Å; K74-G77 VanDerWaalsContact O-N 3.07Å
75A97Very high96.4Very high87 Ų8741.9 Ų41.972%0.71923%0.232SC*.THydrogen-bonded Turntrans-60.5-1917700000114D71 Y73 G77D71-A75 WeakPolarHBondContact O-CB 3.4Å; D71-A75 PolarHBondContact O-N 3.17Å; Y73-A75 PolarHBondContact O-N 3.38Å; A75-G77 VanDerWaalsContact C-N 3.28Å; A75-G77 PolarHBondContact O-N 2.94Å
76T96.7Very high96Very high22 Ų2243.2 Ų43.214%0.13524%0.239CC..THydrogen-bonded Turntrans-70-22.9175.368.20000113.3V27 F30 F54 Y73 K74 A78V27-T76 WeakPolarHBondContact CB-O 3.31Å; F30-T76 HydrophobicContact CE2-CG2 4.38Å; F30-T76 HydrophobicContact CZ-CG2 3.93Å; F54-T76 HydrophobicContact CE2-CG2 4.08Å; F54-T76 HydrophobicContact CZ-CG2 4.32Å; Y73-T76 WeakPolarHBondContact O-CB 3.43Å; Y73-T76 WeakPolarHBondContact O-CG2 3.47Å; Y73-T76 PolarHBondContact O-N 3.37Å; Y73-T76 PolarHBondContact O-OG1 3Å; K74-T76 PolarHBondContact O-N 3.41Å; K74-T76 VanDerWaalsContact O-N 3.11Å; T76-A78 VanDerWaalsContact C-N 3.35Å
77G96.9Very high95.2Very high35 Ų3545 Ų4536%0.36126%0.256SS..  trans64.436.1-177.500000113.7K74 A75K74-G77 PolarHBondContact O-N 3.13Å; K74-G77 VanDerWaalsContact O-N 3.07Å; A75-G77 VanDerWaalsContact C-N 3.28Å; A75-G77 PolarHBondContact O-N 2.94Å
78A98.2Very high94.7Very high8 Ų843.1 Ų43.17%0.06624%0.239CC..  trans-62.4136.9177.500000112.2A4 V27 T76A4-A78 HydrophobicContact CB-CB 3.68Å; V27-A78 HydrophobicContact CG2-CB 3.92Å; T76-A78 VanDerWaalsContact C-N 3.35Å
79E98.4Very high94.2Very high50 Ų5042 Ų4223%0.23423%0.232CC..SBendtrans-99.4-19176.1-66176136.600112.6M1 K2 P98 K99 H100M1-E79 WeakPolarHBondContact CA-OE2 3.39Å; K2-E79 HydrophobicContact CB-CB 4.43Å; K2-E79 HydrophobicContact CB-CG 4.02Å; K2-E79 PolarHBondContact N-OE2 3.31Å; K2-E79 WeakPolarHBondContact O-CB 3.14Å; K2-E79 PolarHBondContact O-N 2.86Å; E79-P98 VanDerWaalsContact C-CB 3.42Å; E79-P98 WeakPolarHBondContact O-CB 3.39Å; E79-K99 HydrophobicContact CB-CD 4.34Å; E79-K99 HydrophobicContact CB-CG 4.29Å; E79-K99 VanDerWaalsContact CD-NZ 3.34Å; E79-K99 HydrophobicContact CG-CD 4.22Å; E79-K99 IonicContact OE1-NZ 3.92Å; E79-K99 PolarHBondContact OE1-NZ 3.19Å; E79-H100 VanDerWaalsContact O-CB 3.24Å; E79-H100 WeakPolarHBondContact O-CB 3.41Å; E79-H100 PolarHBondContact O-CD2 2.8Å; E79-H100 PolarHBondContact O-N 2.65Å
80L98.7Very high94.2Very high0 Ų042 Ų420%023%0.232CC..EExtended strand (participates in β ladder)trans-148.8137.7176.8176.370.8000108.4M1 K2 I3 A4 V82 H100 G101 I103 V180 I183M1-L80 HydrophobicContact CE-CD2 3.85Å; K2-L80 PolarHBondContact O-N 3.05Å; I3-L80 WeakPolarHBondContact CA-O 3.43Å; I3-L80 HydrophobicContact CD1-CD2 4.45Å; I3-L80 HydrophobicContact CG1-CB 4.48Å; A4-L80 PolarHBondContact N-O 3.21Å; L80-V82 HydrophobicContact CD2-CG2 3.93Å; L80-V82 HydrophobicContact CG-CG2 4.2Å; L80-H100 HydrophobicContact CB-CB 4.31Å; L80-H100 HydrophobicContact CD1-CB 4.05Å; L80-G101 WeakPolarHBondContact CD1-O 3.3Å; L80-I103 HydrophobicContact CD2-CD1 4.48Å; L80-V180 HydrophobicContact CD2-CB 4.47Å; L80-V180 HydrophobicContact CD2-CG1 3.95Å; L80-V180 HydrophobicContact CD2-CG2 3.99Å; L80-I183 HydrophobicContact CD1-CD1 3.81Å; L80-I183 HydrophobicContact CD2-CD1 4.04Å
81N98.8Very high94.2Very high0 Ų041.7 Ų41.70%023%0.23CC..EExtended strand (participates in β ladder)trans-96.9136.5163.8-60-29.4000110A4 I6 Y73 L83 V94 P98 G101 S102 I103A4-N81 WeakPolarHBondContact O-CA 3.43Å; I6-N81 HydrophobicContact CD1-CB 4.41Å; Y73-N81 WeakPolarHBondContact CE2-OD1 3.3Å; Y73-N81 PolarHBondContact OH-ND2 3.16Å; Y73-N81 PolarHBondContact OH-OD1 3.05Å; N81-L83 HydrophobicContact CB-CD1 3.8Å; N81-V94 PolarHBondContact ND2-O 2.85Å; N81-P98 HydrophobicContact CB-CG 4.49Å; N81-G101 PolarHBondContact N-O 3.05Å; N81-G101 VanDerWaalsContact N-O 3.12Å; N81-S102 WeakPolarHBondContact CB-OG 3.47Å; N81-S102 PolarHBondContact ND2-OG 3.43Å; N81-S102 WeakPolarHBondContact O-CA 3.35Å; N81-I103 PolarHBondContact O-N 2.81Å
82V98.7Very high94.1Very high0 Ų038.9 Ų38.90%021%0.214CC..EExtended strand (participates in β ladder)trans-117.2120.1170.8-179.10000108I3 A4 V5 I6 V15 L19 L80 P84 I103 M176 V180I3-V82 HydrophobicContact CG2-CB 4.14Å; I3-V82 HydrophobicContact CG2-CG2 3.61Å; A4-V82 PolarHBondContact O-N 3.21Å; V5-V82 WeakPolarHBondContact CA-O 3.47Å; I6-V82 PolarHBondContact N-O 2.8Å; V15-V82 HydrophobicContact CG1-CG1 4.1Å; L19-V82 HydrophobicContact CD1-CB 4.39Å; L19-V82 HydrophobicContact CD1-CG1 4.28Å; L19-V82 HydrophobicContact CD1-CG2 4.2Å; L80-V82 HydrophobicContact CD2-CG2 3.93Å; L80-V82 HydrophobicContact CG-CG2 4.2Å; V82-P84 VanDerWaalsContact C-CD 3.46Å; V82-P84 WeakPolarHBondContact O-CD 3.36Å; V82-I103 HydrophobicContact CG2-CD1 4.19Å; V82-I103 HydrophobicContact CG2-CG1 4.17Å; V82-M176 HydrophobicContact CG1-CE 4.48Å; V82-M176 HydrophobicContact CG1-SD 4.43Å; V82-V180 HydrophobicContact CG2-CG2 3.77Å
83L98.4Very high94.1Very high4 Ų438.2 Ų38.22%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-111.979.6-178-65.886.1000109.6I6 N81 C86 I90 I95 I103 I104 Y105I6-L83 HydrophobicContact CB-CG 4.14Å; I6-L83 WeakPolarHBondContact O-CA 3.45Å; N81-L83 HydrophobicContact CB-CD1 3.8Å; L83-C86 HydrophobicContact CD2-CB 4.3Å; L83-I90 HydrophobicContact CD2-CB 4.48Å; L83-I90 HydrophobicContact CD2-CG1 3.8Å; L83-I95 HydrophobicContact CD1-CD1 4.42Å; L83-I95 HydrophobicContact CD2-CD1 4.13Å; L83-I103 WeakPolarHBondContact CD1-O 3.44Å; L83-I103 PolarHBondContact N-O 2.9Å; L83-I104 HydrophobicContact CB-CB 4.36Å; L83-I104 HydrophobicContact CB-CG1 3.87Å; L83-I104 HydrophobicContact CB-CG2 4.49Å; L83-I104 HydrophobicContact CD1-CG1 4.21Å; L83-I104 HydrophobicContact CD2-CG1 4.15Å; L83-I104 HydrophobicContact CG-CG1 4.28Å; L83-Y105 PolarHBondContact O-N 2.59Å
84P95.4Very high94Very high0 Ų038.2 Ų38.20%022%0.216CC..SBendtrans-74.3-30.1-172.131.1-36.8000112.5V5 F11 V15 V82 Y105V5-P84 HydrophobicContact CG1-CG 4.02Å; F11-P84 HydrophobicContact CD1-CB 3.83Å; F11-P84 VanDerWaalsContact CD1-O 3.23Å; F11-P84 WeakPolarHBondContact CD1-O 3.35Å; F11-P84 HydrophobicContact CE1-CB 3.81Å; F11-P84 WeakPolarHBondContact CE1-O 3.25Å; V15-P84 HydrophobicContact CB-CB 4Å; V15-P84 HydrophobicContact CB-CG 4.46Å; V15-P84 HydrophobicContact CG1-CB 4.11Å; V15-P84 HydrophobicContact CG2-CB 3.85Å; V82-P84 VanDerWaalsContact C-CD 3.46Å; V82-P84 WeakPolarHBondContact O-CD 3.36Å; P84-Y105 WeakPolarHBondContact O-CB 3.39Å; P84-Y105 VanDerWaalsContact O-CD1 3.26Å; P84-Y105 WeakPolarHBondContact O-CD1 3.4Å
85F91.4Very high94Very high91 Ų9134.5 Ų34.540%0.39920%0.2SC..SBendtrans-162.294.4173177.5-163.5000108.8G7 Q8 F11G7-F85 CarbonylContact C-O 3.56Å; G7-F85 WeakPolarHBondContact CA-O 3.19Å; Q8-F85 HydrophobicContact CG-CD1 3.71Å; Q8-F85 HydrophobicContact CG-CE1 3.92Å; Q8-F85 HydrophobicContact CG-CG 4.05Å; Q8-F85 HydrophobicContact CG-CZ 4.43Å; Q8-F85 PolarHBondContact N-O 2.87Å; F11-F85 HydrophobicContact CD1-CB 4.4Å
86C86.1Confident94Very high43 Ų4335.4 Ų35.429%0.29119%0.192SC..  trans-115127.1179.6-1660000110.2L83 Q88L83-C86 HydrophobicContact CD2-CB 4.3Å; C86-Q88 PolarHBondContact SG-O 2.93Å; C86-Q88 VanDerWaalsContact SG-O 3.37Å
87S79.9Confident94.1Very high80 Ų8038.1 Ų38.156%0.55920%0.203SC*.  trans-94.7-1.3178.949.30000113.8Q8Q8-S87 PolarHBondContact NE2-OG 3.47Å; Q8-S87 VanDerWaalsContact NE2-OG 3.07Å
88Q83Confident94.1Very high53 Ų5336.7 Ų36.725%0.24819%0.188CC..SBendtrans-118.7147.1-178.4-62.5-170.746.300110.7P57 C86 I90P57-Q88 PolarHBondContact O-NE2 3.46Å; C86-Q88 PolarHBondContact SG-O 2.93Å; C86-Q88 VanDerWaalsContact SG-O 3.37Å; Q88-I90 PolarHBondContact O-N 3Å
89F85.6Confident94Very high103 Ų10343 Ų4345%0.45221%0.214SC..  trans-74.7108.6173.1-167.7-91.4000110.1
90I93.4Very high94Very high8 Ų843.7 Ų43.74%0.04122%0.217CC..  trans-75.4138.8-177.7-57.5-55.4000110.1I6 W59 L83 Q88 V94 I95I6-I90 HydrophobicContact CD1-CG2 4.5Å; I6-I90 HydrophobicContact CG2-CD1 3.82Å; I6-I90 HydrophobicContact CG2-CG1 4.18Å; W59-I90 HydrophobicContact CD2-CD1 3.76Å; W59-I90 VanDerWaalsContact CE2-CD1 3.4Å; W59-I90 HydrophobicContact CE3-CD1 4.48Å; W59-I90 HydrophobicContact CE3-CG2 4.45Å; W59-I90 HydrophobicContact CG-CD1 3.96Å; W59-I90 HydrophobicContact CZ2-CD1 3.84Å; L83-I90 HydrophobicContact CD2-CB 4.48Å; L83-I90 HydrophobicContact CD2-CG1 3.8Å; Q88-I90 PolarHBondContact O-N 3Å; I90-V94 HydrophobicContact CG2-CB 3.74Å; I90-V94 HydrophobicContact CG2-CG1 3.56Å; I90-I95 HydrophobicContact CB-CD1 3.92Å; I90-I95 HydrophobicContact CB-CG1 4.14Å; I90-I95 HydrophobicContact CG2-CD1 3.89Å; I90-I95 HydrophobicContact CG2-CG1 4Å
91P94.5Very high93.9Very high0 Ų044.4 Ų44.40%022%0.224CC..  trans-63.6146.9-179.5-2031000113.8W59 R60 A65 E93 V94 I95W59-P91 HydrophobicContact CB-CG 3.84Å; W59-P91 HydrophobicContact CE3-CG 4.39Å; R60-P91 HydrophobicContact CG-CG 3.97Å; A65-P91 HydrophobicContact CB-CB 3.7Å; A65-P91 HydrophobicContact CB-CG 3.88Å; P91-E93 WeakPolarHBondContact CB-OE2 3.48Å; P91-E93 PolarHBondContact O-N 2.83Å; P91-V94 HydrophobicContact CB-CG2 4.48Å; P91-V94 WeakPolarHBondContact O-CA 3.21Å; P91-V94 WeakPolarHBondContact O-CB 3.38Å; P91-V94 PolarHBondContact O-N 2.99Å; P91-I95 PolarHBondContact O-N 2.88Å
92M94.8Very high93.9Very high39 Ų3944.5 Ų44.519%0.19223%0.225CC..Hα-helixtrans-63.5-29.5179.9-66-49.3-62.800111.9V94 I95 D96 D139M92-V94 PolarHBondContact O-N 2.96Å; M92-V94 VanDerWaalsContact O-N 3.09Å; M92-I95 HydrophobicContact CE-CB 4.08Å; M92-I95 HydrophobicContact CE-CG2 3.7Å; M92-I95 PolarHBondContact O-N 2.81Å; M92-I95 HydrophobicContact SD-CB 4.15Å; M92-I95 HydrophobicContact SD-CG1 4.33Å; M92-I95 HydrophobicContact SD-CG2 4.22Å; M92-D96 WeakPolarHBondContact CE-OD1 3.26Å; M92-D96 WeakPolarHBondContact CE-OD2 3.49Å; M92-D96 WeakPolarHBondContact O-CB 3.48Å; M92-D96 PolarHBondContact O-N 2.85Å; M92-D139 HydrophobicContact CE-CB 4.29Å; M92-D139 HydrophobicContact CG-CB 4.49Å; M92-D139 HydrophobicContact SD-CB 4.32Å
93E95Very high93.9Very high93 Ų9344.5 Ų44.544%0.43523%0.225SC..Hα-helixtrans-61-18.4172.6-56.689.3157.600113.5V70 P91 H97V70-E93 HydrophobicContact CG1-CB 4.29Å; P91-E93 WeakPolarHBondContact CB-OE2 3.48Å; P91-E93 PolarHBondContact O-N 2.83Å; E93-H97 WeakPolarHBondContact O-CB 3.42Å
94V96.8Very high93.9Very high0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-100.7-42.8174.5174.30000110.1I6 W59 V70 Y73 N81 I90 P91 M92 D96 P98I6-V94 HydrophobicContact CD1-CG1 4.03Å; W59-V94 HydrophobicContact CE3-CG2 4.09Å; W59-V94 HydrophobicContact CH2-CG1 4.32Å; W59-V94 HydrophobicContact CZ3-CB 4.35Å; W59-V94 HydrophobicContact CZ3-CG1 3.87Å; W59-V94 HydrophobicContact CZ3-CG2 3.77Å; V70-V94 HydrophobicContact CG2-CG2 4.19Å; Y73-V94 HydrophobicContact CD1-CB 4.19Å; Y73-V94 HydrophobicContact CD1-CG1 3.85Å; Y73-V94 HydrophobicContact CD1-CG2 3.95Å; Y73-V94 HydrophobicContact CD2-CG1 3.86Å; Y73-V94 HydrophobicContact CE1-CB 4.19Å; Y73-V94 HydrophobicContact CE1-CG1 3.76Å; Y73-V94 HydrophobicContact CE1-CG2 4.43Å; Y73-V94 HydrophobicContact CE2-CG1 3.78Å; Y73-V94 HydrophobicContact CG-CG1 3.91Å; Y73-V94 HydrophobicContact CG-CG2 4.27Å; Y73-V94 PolarHBondContact OH-O 2.81Å; N81-V94 PolarHBondContact ND2-O 2.85Å; I90-V94 HydrophobicContact CG2-CB 3.74Å; I90-V94 HydrophobicContact CG2-CG1 3.56Å; P91-V94 HydrophobicContact CB-CG2 4.48Å; P91-V94 WeakPolarHBondContact O-CA 3.21Å; P91-V94 WeakPolarHBondContact O-CB 3.38Å; P91-V94 PolarHBondContact O-N 2.99Å; M92-V94 PolarHBondContact O-N 2.96Å; M92-V94 VanDerWaalsContact O-N 3.09Å; V94-D96 PolarHBondContact O-N 3.34Å; V94-P98 WeakPolarHBondContact O-CD 3.43Å
95I97.1Very high94Very high9 Ų946.9 Ų46.95%0.04624%0.236CC..Hα-helixtrans-61.4-42.9-179.9-68.9-62.6000112.2L83 I90 P91 M92 S102 A137L83-I95 HydrophobicContact CD1-CD1 4.42Å; L83-I95 HydrophobicContact CD2-CD1 4.13Å; I90-I95 HydrophobicContact CB-CD1 3.92Å; I90-I95 HydrophobicContact CB-CG1 4.14Å; I90-I95 HydrophobicContact CG2-CD1 3.89Å; I90-I95 HydrophobicContact CG2-CG1 4Å; P91-I95 PolarHBondContact O-N 2.88Å; M92-I95 HydrophobicContact CE-CB 4.08Å; M92-I95 HydrophobicContact CE-CG2 3.7Å; M92-I95 PolarHBondContact O-N 2.81Å; M92-I95 HydrophobicContact SD-CB 4.15Å; M92-I95 HydrophobicContact SD-CG1 4.33Å; M92-I95 HydrophobicContact SD-CG2 4.22Å; I95-S102 VanDerWaalsContact CA-OG 3.3Å; I95-S102 WeakPolarHBondContact CA-OG 3.38Å; I95-S102 PolarHBondContact O-OG 3.32Å; I95-A137 HydrophobicContact CD1-CB 4.12Å; I95-A137 HydrophobicContact CG2-CB 3.58Å
96D96.8Very high94.4Very high105 Ų10543 Ų4356%0.56122%0.219SC*.SBendtrans-92.1-10.9-174.5-63.8-29.9000113.6M92 V94M92-D96 WeakPolarHBondContact CE-OD1 3.26Å; M92-D96 WeakPolarHBondContact CE-OD2 3.49Å; M92-D96 WeakPolarHBondContact O-CB 3.48Å; M92-D96 PolarHBondContact O-N 2.85Å; V94-D96 PolarHBondContact O-N 3.34Å
97H97.2Very high94.9Very high79 Ų7942.1 Ų42.137%0.36621%0.213SC..  trans-60.2-48.1-178.6-176.764.4000115.4Y73 E93Y73-H97 HydrophobicContact CE1-CB 3.77Å; Y73-H97 AromaticContact CE1-CD2 3.52Å; Y73-H97 AromaticContact CE1-CG 3.86Å; E93-H97 WeakPolarHBondContact O-CB 3.42Å
98P97.8Very high95.8Very high5 Ų538.4 Ų38.43%0.03219%0.187CC..SBendtrans-69.5140.4-176.327.6-34.5000110.9Y73 E79 N81 V94 H100 G101Y73-P98 WeakPolarHBondContact OH-CD 3.46Å; E79-P98 VanDerWaalsContact C-CB 3.42Å; E79-P98 WeakPolarHBondContact O-CB 3.39Å; N81-P98 HydrophobicContact CB-CG 4.49Å; V94-P98 WeakPolarHBondContact O-CD 3.43Å; P98-H100 PolarHBondContact O-N 2.95Å; P98-G101 WeakPolarHBondContact CG-O 3.22Å; P98-G101 PolarHBondContact O-N 3.4Å
99K96.3Very high96.6Very high142 Ų14237.6 Ų37.662%0.61718%0.184SC*.THydrogen-bonded Turntrans-57.2-28.3-177.975.8-171.1-168.5-1700114.3E79E79-K99 HydrophobicContact CB-CD 4.34Å; E79-K99 HydrophobicContact CB-CG 4.29Å; E79-K99 VanDerWaalsContact CD-NZ 3.34Å; E79-K99 HydrophobicContact CG-CD 4.22Å; E79-K99 IonicContact OE1-NZ 3.92Å; E79-K99 PolarHBondContact OE1-NZ 3.19Å
100H97.6Very high97.2Very high63 Ų6332.9 Ų32.929%0.29216%0.164SC..THydrogen-bonded Turntrans-96.31.5176.6-61.1-56.7000113.1E79 L80 P98 W136 I183E79-H100 VanDerWaalsContact O-CB 3.24Å; E79-H100 WeakPolarHBondContact O-CB 3.41Å; E79-H100 PolarHBondContact O-CD2 2.8Å; E79-H100 PolarHBondContact O-N 2.65Å; L80-H100 HydrophobicContact CB-CB 4.31Å; L80-H100 HydrophobicContact CD1-CB 4.05Å; P98-H100 PolarHBondContact O-N 2.95Å; H100-W136 WeakPolarHBondContact O-CZ3 3.34Å; H100-I183 HydrophobicContact CB-CG2 4.04Å
101G97.3Very high97.4Very high15 Ų1533.1 Ų33.116%0.15517%0.166CC..  trans78.1-159.8-178.600000113.7L80 N81 P98L80-G101 WeakPolarHBondContact CD1-O 3.3Å; N81-G101 PolarHBondContact N-O 3.05Å; N81-G101 VanDerWaalsContact N-O 3.12Å; P98-G101 WeakPolarHBondContact CG-O 3.22Å; P98-G101 PolarHBondContact O-N 3.4Å
102S98.6Very high97.6Very high3 Ų337.5 Ų37.52%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-124.9138.5-178.8-59.80000110.7N81 I95 A137N81-S102 WeakPolarHBondContact CB-OG 3.47Å; N81-S102 PolarHBondContact ND2-OG 3.43Å; N81-S102 WeakPolarHBondContact O-CA 3.35Å; I95-S102 VanDerWaalsContact CA-OG 3.3Å; I95-S102 WeakPolarHBondContact CA-OG 3.38Å; I95-S102 PolarHBondContact O-OG 3.32Å; S102-A137 PolarHBondContact O-N 3.33Å
103I98.7Very high97.7Very high0 Ų035.8 Ų35.80%017%0.174CC..EExtended strand (participates in β ladder)trans-117.4140.9173.261.9-178.4000111L80 N81 V82 L83 V134 F135 W136 L147 M176 A179 V180 I183L80-I103 HydrophobicContact CD2-CD1 4.48Å; N81-I103 PolarHBondContact O-N 2.81Å; V82-I103 HydrophobicContact CG2-CD1 4.19Å; V82-I103 HydrophobicContact CG2-CG1 4.17Å; L83-I103 WeakPolarHBondContact CD1-O 3.44Å; L83-I103 PolarHBondContact N-O 2.9Å; I103-V134 HydrophobicContact CB-CG1 4.18Å; I103-V134 HydrophobicContact CD1-CG1 4.43Å; I103-F135 CarbonylContact C-O 3.53Å; I103-F135 VanDerWaalsContact CA-O 3.25Å; I103-F135 WeakPolarHBondContact CA-O 3.47Å; I103-W136 HydrophobicContact CG2-CD2 4.04Å; I103-W136 HydrophobicContact CG2-CE3 3.53Å; I103-W136 HydrophobicContact CG2-CH2 4.35Å; I103-W136 HydrophobicContact CG2-CZ3 3.66Å; I103-L147 HydrophobicContact CG2-CD1 3.93Å; I103-M176 HydrophobicContact CD1-CE 3.4Å; I103-M176 VanDerWaalsContact CD1-CE 3.4Å; I103-M176 HydrophobicContact CG1-CE 3.87Å; I103-A179 HydrophobicContact CD1-CB 4.11Å; I103-V180 HydrophobicContact CD1-CG2 3.84Å; I103-I183 HydrophobicContact CD1-CD1 3.83Å; I103-I183 HydrophobicContact CG2-CD1 3.83Å
104I98.6Very high97.8Very high35 Ų3533 Ų3318%0.17916%0.159CC..EExtended strand (participates in β ladder)trans-121.5138.6-176.2-58.7171.5000109L83 V134 F135 A137L83-I104 HydrophobicContact CB-CB 4.36Å; L83-I104 HydrophobicContact CB-CG1 3.87Å; L83-I104 HydrophobicContact CB-CG2 4.49Å; L83-I104 HydrophobicContact CD1-CG1 4.21Å; L83-I104 HydrophobicContact CD2-CG1 4.15Å; L83-I104 HydrophobicContact CG-CG1 4.28Å; I104-V134 WeakPolarHBondContact O-CA 3.37Å; I104-F135 HydrophobicContact CB-CD1 4.03Å; I104-F135 HydrophobicContact CB-CE1 3.44Å; I104-F135 VanDerWaalsContact CB-CE1 3.44Å; I104-F135 HydrophobicContact CB-CE2 4.35Å; I104-F135 HydrophobicContact CB-CZ 3.63Å; I104-F135 HydrophobicContact CD1-CE1 4.41Å; I104-F135 HydrophobicContact CD1-CE2 4.04Å; I104-F135 HydrophobicContact CD1-CZ 3.68Å; I104-F135 HydrophobicContact CG1-CE1 4.47Å; I104-F135 HydrophobicContact CG1-CZ 4.19Å; I104-F135 HydrophobicContact CG2-CD1 4.41Å; I104-F135 HydrophobicContact CG2-CE1 3.49Å; I104-F135 VanDerWaalsContact CG2-CE1 3.49Å; I104-F135 HydrophobicContact CG2-CZ 3.79Å; I104-F135 PolarHBondContact N-O 2.73Å; I104-F135 WeakPolarHBondContact O-CD1 3.14Å; I104-F135 PolarHBondContact O-N 2.82Å; I104-A137 HydrophobicContact CD1-CB 3.61Å; I104-A137 HydrophobicContact CG1-CB 4.11Å
105Y98.6Very high97.7Very high18 Ų1833.3 Ų33.37%0.07116%0.162CC..EExtended strand (participates in β ladder)trans-87.7132.2165.7170.1-94000110.1F11 L83 P84 P107 F132 L168 M176F11-Y105 AromaticContact CE1-CD1 3.77Å; F11-Y105 HydrophobicContact CE1-CD1 3.77Å; F11-Y105 HydrophobicContact CE1-CD2 4.15Å; F11-Y105 HydrophobicContact CE1-CE1 4.14Å; F11-Y105 HydrophobicContact CE1-CE2 4.48Å; F11-Y105 AromaticContact CE1-CG 3.77Å; F11-Y105 HydrophobicContact CE1-CG 3.77Å; F11-Y105 HydrophobicContact CE2-CE1 4.28Å; F11-Y105 HydrophobicContact CE2-CE2 4.26Å; F11-Y105 AromaticContact CZ-CD1 3.86Å; F11-Y105 HydrophobicContact CZ-CD1 3.86Å; F11-Y105 AromaticContact CZ-CD2 3.68Å; F11-Y105 HydrophobicContact CZ-CD2 3.68Å; F11-Y105 AromaticContact CZ-CE1 3.85Å; F11-Y105 HydrophobicContact CZ-CE1 3.85Å; F11-Y105 AromaticContact CZ-CE2 3.66Å; F11-Y105 HydrophobicContact CZ-CE2 3.66Å; F11-Y105 AromaticContact CZ-CG 3.78Å; F11-Y105 HydrophobicContact CZ-CG 3.78Å; F11-Y105 AromaticContact CZ-CZ 3.75Å; L83-Y105 PolarHBondContact O-N 2.59Å; P84-Y105 WeakPolarHBondContact O-CB 3.39Å; P84-Y105 VanDerWaalsContact O-CD1 3.26Å; P84-Y105 WeakPolarHBondContact O-CD1 3.4Å; Y105-P107 HydrophobicContact CE1-CB 3.91Å; Y105-P107 HydrophobicContact CE1-CG 4.38Å; Y105-F132 HydrophobicContact CD2-CB 4.37Å; Y105-F132 AromaticContact CD2-CD2 3.99Å; Y105-F132 HydrophobicContact CD2-CD2 3.99Å; Y105-F132 HydrophobicContact CD2-CG 4.39Å; Y105-F132 HydrophobicContact CE2-CB 3.49Å; Y105-F132 VanDerWaalsContact CE2-CB 3.49Å; Y105-F132 HydrophobicContact CE2-CD1 4.4Å; Y105-F132 AromaticContact CE2-CD2 3.62Å; Y105-F132 HydrophobicContact CE2-CD2 3.62Å; Y105-F132 HydrophobicContact CE2-CE2 4.47Å; Y105-F132 AromaticContact CE2-CG 3.58Å; Y105-F132 HydrophobicContact CE2-CG 3.58Å; Y105-L168 PolarHBondContact OH-O 3.09Å; Y105-L168 VanDerWaalsContact OH-O 3.11Å; Y105-M176 HydrophobicContact CD2-CG 4.22Å
106H98.3Very high97.3Very high10 Ų1036.6 Ų36.65%0.04619%0.191CC..EExtended strand (participates in β ladder)trans-132.4124.7177.1-165.974000111.2S108 L110 H113 G115 F132 T133 F135 D142H106-S108 PolarHBondContact CD2-OG 3.34Å; H106-S108 PolarHBondContact NE2-OG 2.84Å; H106-S108 PolarHBondContact O-N 2.82Å; H106-L110 HydrophobicContact CB-CD1 4.11Å; H106-L110 HydrophobicContact CB-CG 4.48Å; H106-L110 VanDerWaalsContact CD2-CD2 3.43Å; H106-L110 WeakPolarHBondContact CD2-CD2 3.31Å; H106-H113 PolarHBondContact NE2-O 3.25Å; H106-G115 PolarHBondContact CE1-O 2.93Å; H106-F132 CarbonylContact O-C 3.59Å; H106-F132 VanDerWaalsContact O-CA 3.27Å; H106-F132 WeakPolarHBondContact O-CA 3.3Å; H106-F132 WeakPolarHBondContact O-CB 3.49Å; H106-T133 PolarHBondContact N-O 3.14Å; H106-T133 PolarHBondContact O-N 3.11Å; H106-F135 HydrophobicContact CB-CD1 4.21Å; H106-F135 HydrophobicContact CB-CE1 3.91Å; H106-D142 IonicContact CE1-OD2 3.92Å; H106-D142 PolarHBondContact CE1-OD2 2.91Å; H106-D142 VanDerWaalsContact CE1-OD2 3.25Å; H106-D142 IonicContact ND1-OD2 3.26Å
107P97.9Very high97.2Very high24 Ų2432.2 Ų32.216%0.15617%0.169CC..SBendtrans-86.148.2-172.237-37000113.1Y105 A118 I119 G131 L168Y105-P107 HydrophobicContact CE1-CB 3.91Å; Y105-P107 HydrophobicContact CE1-CG 4.38Å; P107-A118 HydrophobicContact CG-CB 4.35Å; P107-I119 HydrophobicContact CB-CD1 3.88Å; P107-I119 HydrophobicContact CB-CG1 3.63Å; P107-I119 HydrophobicContact CG-CD1 4.1Å; P107-I119 HydrophobicContact CG-CG1 3.76Å; P107-G131 CarbonylContact C-O 3.53Å; P107-L168 HydrophobicContact CB-CD1 4.37Å
108S98.4Very high97.3Very high2 Ų228.5 Ų28.51%0.01415%0.152CC..SBendtrans-147.7172.8165.272.10000111.7H106 L110 R112 H113 G131 F132 T133H106-S108 PolarHBondContact CD2-OG 3.34Å; H106-S108 PolarHBondContact NE2-OG 2.84Å; H106-S108 PolarHBondContact O-N 2.82Å; S108-L110 PolarHBondContact O-N 3.1Å; S108-R112 WeakPolarHBondContact CB-O 3.45Å; S108-R112 PolarHBondContact OG-O 2.81Å; S108-H113 PolarHBondContact OG-O 3.16Å; S108-G131 CarbonylContact C-O 3.51Å; S108-G131 WeakPolarHBondContact CA-O 3.33Å; S108-G131 PolarHBondContact N-O 2.88Å; S108-G131 VanDerWaalsContact N-O 3.15Å; S108-F132 CarbonylContact O-C 3.58Å; S108-F132 WeakPolarHBondContact O-CA 3.42Å; S108-T133 PolarHBondContact O-N 3.06Å; S108-T133 PolarHBondContact O-OG1 2.91Å
109L98.6Very high97.3Very high37 Ų3729.2 Ų29.219%0.19416%0.155CC..  trans-84.281.6172-60.8176.8000109.8R112 K129 Q149 R150 E151L109-R112 WeakPolarHBondContact O-CB 3.37Å; L109-R112 PolarHBondContact O-N 3.23Å; L109-K129 HydrophobicContact CD1-CB 4.33Å; L109-Q149 HydrophobicContact CD2-CG 3.54Å; L109-R150 WeakPolarHBondContact CD2-O 3.19Å; L109-E151 HydrophobicContact CD1-CB 4.17Å; L109-E151 HydrophobicContact CD2-CB 4.14Å
110L98.6Very high97.4Very high3 Ų323.2 Ų23.22%0.01613%0.13CC..THydrogen-bonded Turntrans-52.6137176.2-68.5179000110.6H106 S108 R114 T133 F135 D142 Q149H106-L110 HydrophobicContact CB-CD1 4.11Å; H106-L110 HydrophobicContact CB-CG 4.48Å; H106-L110 VanDerWaalsContact CD2-CD2 3.43Å; H106-L110 WeakPolarHBondContact CD2-CD2 3.31Å; S108-L110 PolarHBondContact O-N 3.1Å; L110-R114 HydrophobicContact CD2-CG 3.79Å; L110-T133 HydrophobicContact CB-CG2 4.14Å; L110-T133 HydrophobicContact CD1-CG2 3.95Å; L110-T133 HydrophobicContact CG-CG2 4.27Å; L110-T133 PolarHBondContact N-OG1 2.8Å; L110-F135 HydrophobicContact CD1-CB 4.44Å; L110-F135 HydrophobicContact CD1-CD1 3.68Å; L110-F135 HydrophobicContact CD1-CE1 4.03Å; L110-F135 HydrophobicContact CD1-CG 4.02Å; L110-D142 HydrophobicContact CD1-CB 4.49Å; L110-D142 HydrophobicContact CD2-CB 4.22Å; L110-Q149 VanDerWaalsContact N-NE2 3.19Å; L110-Q149 PolarHBondContact O-NE2 2.93Å
111P98.2Very high97.4Very high13 Ų1321.5 Ų21.58%0.08412%0.121CC..THydrogen-bonded Turncis-88.64.218.439-41.2000115.4Q193 P194 A198 T199P111-Q193 HydrophobicContact CB-CB 4.38Å; P111-P194 HydrophobicContact CG-CG 4Å; P111-P194 WeakPolarHBondContact CG-O 3.42Å; P111-A198 HydrophobicContact CB-CB 3.74Å; P111-A198 HydrophobicContact CG-CB 4.12Å; P111-A198 WeakPolarHBondContact O-CA 3.39Å; P111-T199 PolarHBondContact O-N 3.24Å
112R98.4Very high97.5Very high92 Ų9221 Ų2135%0.34712%0.115SC..THydrogen-bonded Turntrans-75.4139.9178.5-163.5-179.1175.793.6-4.4110.7S108 L109 D127S108-R112 WeakPolarHBondContact CB-O 3.45Å; S108-R112 PolarHBondContact OG-O 2.81Å; L109-R112 WeakPolarHBondContact O-CB 3.37Å; L109-R112 PolarHBondContact O-N 3.23Å; R112-D127 IonicContact CZ-OD1 3.8Å; R112-D127 IonicContact CZ-OD2 2.65Å; R112-D127 IonicContact NE-OD1 3.84Å; R112-D127 PolarHBondContact NE-OD1 2.93Å; R112-D127 IonicContact NE-OD2 2.84Å; R112-D127 PolarHBondContact NE-OD2 3.25Å; R112-D127 IonicContact NH2-OD1 3.94Å; R112-D127 PolarHBondContact NH2-OD1 3.39Å; R112-D127 IonicContact NH2-OD2 3.89Å
113H97.9Very high97.5Very high3 Ų320.9 Ų20.91%0.01411%0.114CC..THydrogen-bonded Turntrans58.153.2179.2-51.8-43.1000115.3H106 S108 A118 T122 H125 D127 T199 E201H106-H113 PolarHBondContact NE2-O 3.25Å; S108-H113 PolarHBondContact OG-O 3.16Å; H113-A118 HydrophobicContact CB-CB 3.99Å; H113-A118 VanDerWaalsContact O-CB 3.29Å; H113-A118 WeakPolarHBondContact O-CB 3.34Å; H113-T122 PolarHBondContact CD2-OG1 2.8Å; H113-H125 AromaticContact CE1-ND1 3.3Å; H113-H125 PolarHBondContact CE1-ND1 2.93Å; H113-H125 VanDerWaalsContact CE1-ND1 3.3Å; H113-D127 IonicContact CD2-OD2 3.89Å; H113-D127 IonicContact NE2-OD2 2.68Å; H113-D127 PolarHBondContact NE2-OD2 2.86Å; H113-T199 PolarHBondContact N-OG1 3.27Å; H113-T199 PolarHBondContact ND1-OG1 3.31Å; H113-E201 WeakPolarHBondContact CA-OE2 3.39Å; H113-E201 WeakPolarHBondContact CB-OE2 3.23Å; H113-E201 IonicContact CE1-OE1 2.81Å; H113-E201 IonicContact CG-OE1 3.26Å; H113-E201 IonicContact CG-OE2 2.68Å; H113-E201 VanDerWaalsContact ND1-CD 3.26Å; H113-E201 IonicContact ND1-OE1 3.4Å; H113-E201 PolarHBondContact ND1-OE1 2.95Å; H113-E201 IonicContact ND1-OE2 2.8Å; H113-E201 PolarHBondContact ND1-OE2 3.06Å
114R96.9Very high97.5Very high34 Ų3421.8 Ų21.813%0.12812%0.119CC..BIsolated β-bridgetrans-63.3146.9166.1-65.8177.6175.31553.9110L110 L141 D142 T199 Y200 E201L110-R114 HydrophobicContact CD2-CG 3.79Å; R114-L141 WeakPolarHBondContact CD-O 3.3Å; R114-D142 HydrophobicContact CB-CB 4.01Å; R114-D142 HydrophobicContact CG-CB 3.9Å; R114-D142 PolarHBondContact NE-O 3.36Å; R114-D142 VanDerWaalsContact NE-O 3.15Å; R114-T199 WeakPolarHBondContact CB-O 3.26Å; R114-T199 PolarHBondContact N-O 3.35Å; R114-Y200 HydrophobicContact CB-CD2 4.33Å; R114-Y200 WeakPolarHBondContact O-CD2 3.41Å; R114-E201 PolarHBondContact O-N 2.84Å
115G93.1Very high97.5Very high7 Ų724.7 Ų24.77%0.07213%0.131CC..SBendtrans103.6177.5-178.800000114.7H106 S117 D142H106-G115 PolarHBondContact CE1-O 2.93Å; G115-S117 PolarHBondContact O-N 3.49Å; G115-D142 WeakPolarHBondContact CA-OD2 3.37Å; G115-D142 PolarHBondContact N-OD2 2.95Å
116A90Very high97.4Very high79 Ų7925 Ų2565%0.65314%0.139SC*.THydrogen-bonded Turntrans-69.9-36.1-160.600000115.9A118 I203A116-A118 PolarHBondContact O-N 3.08Å; A116-I203 HydrophobicContact CB-CD1 4.31Å; A116-I203 HydrophobicContact CB-CG1 4.3Å
117S95.3Very high97.5Very high13 Ų1325.3 Ų25.39%0.09114%0.142CC..THydrogen-bonded Turntrans-100.237.8-171.3-67.30000112.7G115 I119 N120 W121 Q204G115-S117 PolarHBondContact O-N 3.49Å; S117-I119 VanDerWaalsContact C-N 3.29Å; S117-I119 PolarHBondContact O-N 3.4Å; S117-N120 WeakPolarHBondContact O-CA 3.39Å; S117-N120 VanDerWaalsContact O-CB 3.29Å; S117-N120 WeakPolarHBondContact O-CB 3.09Å; S117-N120 PolarHBondContact O-N 2.99Å; S117-W121 PolarHBondContact O-N 2.76Å; S117-W121 VanDerWaalsContact O-N 3.11Å; S117-Q204 PolarHBondContact OG-N 2.91Å
118A97.3Very high97.4Very high1 Ų132.6 Ų32.61%0.00817%0.171CC..Hα-helixtrans-59.4-34.7-169.600000114.2P107 H113 A116 W121 T122P107-A118 HydrophobicContact CG-CB 4.35Å; H113-A118 HydrophobicContact CB-CB 3.99Å; H113-A118 VanDerWaalsContact O-CB 3.29Å; H113-A118 WeakPolarHBondContact O-CB 3.34Å; A116-A118 PolarHBondContact O-N 3.08Å; A118-W121 PolarHBondContact O-N 3.41Å; A118-T122 WeakPolarHBondContact O-CB 3.47Å; A118-T122 PolarHBondContact O-N 3.42Å; A118-T122 PolarHBondContact O-OG1 2.85Å
119I98.1Very high97.4Very high19 Ų1936.7 Ų36.710%0.09719%0.188CC..Hα-helixtrans-64.7-44.1174.7-50.5175.4000110.4P107 S117 W121 T122 L123 V160 I163 Y164 L168P107-I119 HydrophobicContact CB-CD1 3.88Å; P107-I119 HydrophobicContact CB-CG1 3.63Å; P107-I119 HydrophobicContact CG-CD1 4.1Å; P107-I119 HydrophobicContact CG-CG1 3.76Å; S117-I119 VanDerWaalsContact C-N 3.29Å; S117-I119 PolarHBondContact O-N 3.4Å; I119-W121 VanDerWaalsContact C-N 3.34Å; I119-W121 PolarHBondContact O-N 2.99Å; I119-T122 PolarHBondContact O-N 3Å; I119-L123 HydrophobicContact CG2-CD1 4.44Å; I119-L123 WeakPolarHBondContact O-CG 3.41Å; I119-L123 PolarHBondContact O-N 3.4Å; I119-V160 HydrophobicContact CB-CG1 4.2Å; I119-V160 HydrophobicContact CG2-CB 4.3Å; I119-V160 HydrophobicContact CG2-CG1 3.83Å; I119-I163 HydrophobicContact CG2-CG2 3.69Å; I119-Y164 HydrophobicContact CD1-CD2 3.87Å; I119-L168 HydrophobicContact CD1-CD1 3.62Å; I119-L168 HydrophobicContact CG1-CD1 3.72Å; I119-L168 HydrophobicContact CG2-CD1 4.04Å
120N98.6Very high97.4Very high17 Ų1735 Ų359%0.09118%0.18CC..Hα-helixtrans-57.7-50.2177.6-58.482.8000110S117 T122 L123 I124 Q204 G226 V230S117-N120 WeakPolarHBondContact O-CA 3.39Å; S117-N120 VanDerWaalsContact O-CB 3.29Å; S117-N120 WeakPolarHBondContact O-CB 3.09Å; S117-N120 PolarHBondContact O-N 2.99Å; N120-T122 PolarHBondContact O-N 2.85Å; N120-L123 PolarHBondContact O-N 2.99Å; N120-L123 VanDerWaalsContact O-N 3.14Å; N120-I124 HydrophobicContact CB-CD1 4.19Å; N120-I124 WeakPolarHBondContact O-CB 3.35Å; N120-I124 VanDerWaalsContact O-CG1 3.23Å; N120-I124 WeakPolarHBondContact O-CG1 3.36Å; N120-I124 PolarHBondContact O-N 3.42Å; N120-Q204 HydrophobicContact CB-CB 4.32Å; N120-Q204 HydrophobicContact CB-CG 4.46Å; N120-G226 VanDerWaalsContact CA-O 3.31Å; N120-G226 WeakPolarHBondContact CA-O 3.46Å; N120-G226 VanDerWaalsContact CB-O 3.26Å; N120-G226 WeakPolarHBondContact CB-O 3.28Å; N120-G226 PolarHBondContact ND2-O 3.03Å; N120-V230 PolarHBondContact ND2-O 3.22Å
121W98.5Very high97.4Very high26 Ų2635 Ų3510%0.09818%0.18CC..Hα-helixtrans-68.1-32.6-176.8-65.7114000114.1S117 A118 I119 L123 I124 H125 E201 C202 W223S117-W121 PolarHBondContact O-N 2.76Å; S117-W121 VanDerWaalsContact O-N 3.11Å; A118-W121 PolarHBondContact O-N 3.41Å; I119-W121 VanDerWaalsContact C-N 3.34Å; I119-W121 PolarHBondContact O-N 2.99Å; W121-L123 VanDerWaalsContact C-N 3.27Å; W121-L123 PolarHBondContact O-N 3.3Å; W121-I124 HydrophobicContact CD2-CD1 4.17Å; W121-I124 HydrophobicContact CE3-CB 4.09Å; W121-I124 HydrophobicContact CE3-CD1 3.79Å; W121-I124 HydrophobicContact CE3-CG2 3.86Å; W121-I124 HydrophobicContact CH2-CD1 4.43Å; W121-I124 HydrophobicContact CZ3-CD1 3.94Å; W121-I124 HydrophobicContact CZ3-CG2 3.88Å; W121-I124 PolarHBondContact O-N 3.08Å; W121-H125 AromaticContact CE3-CE1 3.94Å; W121-H125 WeakPolarHBondContact O-CB 3.31Å; W121-H125 PolarHBondContact O-N 2.89Å; W121-H125 PolarHBondContact O-ND1 3.4Å; W121-E201 HydrophobicContact CB-CB 4.48Å; W121-E201 HydrophobicContact CB-CG 4.15Å; W121-E201 VanDerWaalsContact CD1-CB 3.4Å; W121-E201 HydrophobicContact CD2-CB 3.56Å; W121-E201 HydrophobicContact CD2-CG 3.75Å; W121-E201 VanDerWaalsContact CE2-CB 3.41Å; W121-E201 HydrophobicContact CE3-CB 4.31Å; W121-E201 HydrophobicContact CE3-CG 4.16Å; W121-E201 HydrophobicContact CG-CB 3.59Å; W121-E201 HydrophobicContact CG-CG 3.71Å; W121-E201 HydrophobicContact CZ2-CB 4.06Å; W121-E201 VanDerWaalsContact NE1-CB 3.29Å; W121-C202 PolarHBondContact NE1-O 3.38Å; W121-W223 HydrophobicContact CZ3-CZ3 4.42Å
122T98.7Very high97.4Very high6 Ų634.4 Ų34.44%0.03718%0.176CC..Hα-helixtrans-56.3-45.1170.8-57.90000110.5H113 A118 I119 N120 D127 V154H113-T122 PolarHBondContact CD2-OG1 2.8Å; A118-T122 WeakPolarHBondContact O-CB 3.47Å; A118-T122 PolarHBondContact O-N 3.42Å; A118-T122 PolarHBondContact O-OG1 2.85Å; I119-T122 PolarHBondContact O-N 3Å; N120-T122 PolarHBondContact O-N 2.85Å; T122-D127 HydrophobicContact CG2-CB 3.85Å; T122-D127 VanDerWaalsContact O-CB 3.3Å; T122-D127 WeakPolarHBondContact O-CB 3.18Å; T122-D127 PolarHBondContact O-N 3.16Å; T122-V154 HydrophobicContact CG2-CG2 4.3Å
123L98.6Very high97.5Very high0 Ų030 Ų300%016%0.16CC..Hα-helixtrans-80.3-39.1-177.9-57.3175000112.2I119 N120 W121 H125 G126 V154 D158 V160 I163 N222 R225I119-L123 HydrophobicContact CG2-CD1 4.44Å; I119-L123 WeakPolarHBondContact O-CG 3.41Å; I119-L123 PolarHBondContact O-N 3.4Å; N120-L123 PolarHBondContact O-N 2.99Å; N120-L123 VanDerWaalsContact O-N 3.14Å; W121-L123 VanDerWaalsContact C-N 3.27Å; W121-L123 PolarHBondContact O-N 3.3Å; L123-H125 VanDerWaalsContact C-N 3.31Å; L123-H125 PolarHBondContact O-N 2.79Å; L123-G126 PolarHBondContact O-N 2.81Å; L123-G126 VanDerWaalsContact O-N 3.08Å; L123-V154 HydrophobicContact CD2-CG1 3.63Å; L123-D158 HydrophobicContact CD2-CB 4.08Å; L123-V160 HydrophobicContact CD1-CB 4.35Å; L123-V160 HydrophobicContact CD1-CG2 3.86Å; L123-I163 HydrophobicContact CD1-CG2 4.33Å; L123-I163 HydrophobicContact CD2-CG2 4.49Å; L123-N222 WeakPolarHBondContact O-CB 3.26Å; L123-R225 HydrophobicContact CB-CG 4.46Å; L123-R225 PolarHBondContact O-NH2 3.2Å; L123-R225 VanDerWaalsContact O-NH2 3.13Å
124I98.7Very high97.5Very high19 Ų1929.9 Ų29.910%0.09716%0.159CC..Hα-helixtrans-59.4-42177.1-72.9165000110.9N120 W121 G126 N222 W223N120-I124 HydrophobicContact CB-CD1 4.19Å; N120-I124 WeakPolarHBondContact O-CB 3.35Å; N120-I124 VanDerWaalsContact O-CG1 3.23Å; N120-I124 WeakPolarHBondContact O-CG1 3.36Å; N120-I124 PolarHBondContact O-N 3.42Å; W121-I124 HydrophobicContact CD2-CD1 4.17Å; W121-I124 HydrophobicContact CE3-CB 4.09Å; W121-I124 HydrophobicContact CE3-CD1 3.79Å; W121-I124 HydrophobicContact CE3-CG2 3.86Å; W121-I124 HydrophobicContact CH2-CD1 4.43Å; W121-I124 HydrophobicContact CZ3-CD1 3.94Å; W121-I124 HydrophobicContact CZ3-CG2 3.88Å; W121-I124 PolarHBondContact O-N 3.08Å; I124-G126 PolarHBondContact O-N 2.94Å; I124-N222 WeakPolarHBondContact O-CB 3.46Å; I124-W223 HydrophobicContact CD1-CE3 4.31Å; I124-W223 HydrophobicContact CD1-CZ3 4.25Å; I124-W223 HydrophobicContact CG1-CE3 4.18Å; I124-W223 HydrophobicContact CG2-CE3 3.7Å; I124-W223 HydrophobicContact CG2-CZ3 3.88Å
125H98.5Very high97.6Very high96 Ų9628.3 Ų28.344%0.44415%0.153SC..THydrogen-bonded Turntrans-81.11.5178.4-68.7135000114.2H113 W121 L123 D127H113-H125 AromaticContact CE1-ND1 3.3Å; H113-H125 PolarHBondContact CE1-ND1 2.93Å; H113-H125 VanDerWaalsContact CE1-ND1 3.3Å; W121-H125 AromaticContact CE3-CE1 3.94Å; W121-H125 WeakPolarHBondContact O-CB 3.31Å; W121-H125 PolarHBondContact O-N 2.89Å; W121-H125 PolarHBondContact O-ND1 3.4Å; L123-H125 VanDerWaalsContact C-N 3.31Å; L123-H125 PolarHBondContact O-N 2.79Å; H125-D127 VanDerWaalsContact C-N 3.32Å; H125-D127 PolarHBondContact O-N 3.2Å
126G97.9Very high97.9Very high23 Ų2328.5 Ų28.524%0.23715%0.152CC..THydrogen-bonded Turntrans68.430177.400000113.5L123 I124 K128 N222L123-G126 PolarHBondContact O-N 2.81Å; L123-G126 VanDerWaalsContact O-N 3.08Å; I124-G126 PolarHBondContact O-N 2.94Å; G126-K128 PolarHBondContact O-N 2.96Å; G126-N222 WeakPolarHBondContact CA-ND2 3.44Å
127D98.4Very high98.2Very high18 Ų1825.6 Ų25.610%0.09613%0.128CC..  trans-60.6134.7-178.7-71.36000110.6R112 H113 T122 H125 K129 V154R112-D127 IonicContact CZ-OD1 3.8Å; R112-D127 IonicContact CZ-OD2 2.65Å; R112-D127 IonicContact NE-OD1 3.84Å; R112-D127 PolarHBondContact NE-OD1 2.93Å; R112-D127 IonicContact NE-OD2 2.84Å; R112-D127 PolarHBondContact NE-OD2 3.25Å; R112-D127 IonicContact NH2-OD1 3.94Å; R112-D127 PolarHBondContact NH2-OD1 3.39Å; R112-D127 IonicContact NH2-OD2 3.89Å; H113-D127 IonicContact CD2-OD2 3.89Å; H113-D127 IonicContact NE2-OD2 2.68Å; H113-D127 PolarHBondContact NE2-OD2 2.86Å; T122-D127 HydrophobicContact CG2-CB 3.85Å; T122-D127 VanDerWaalsContact O-CB 3.3Å; T122-D127 WeakPolarHBondContact O-CB 3.18Å; T122-D127 PolarHBondContact O-N 3.16Å; H125-D127 VanDerWaalsContact C-N 3.32Å; H125-D127 PolarHBondContact O-N 3.2Å; D127-K129 VanDerWaalsContact C-N 3.33Å; D127-V154 WeakPolarHBondContact O-CB 3.29Å; D127-V154 WeakPolarHBondContact O-CG1 3.22Å; D127-V154 VanDerWaalsContact O-CG2 3.31Å; D127-V154 WeakPolarHBondContact O-CG2 3.46Å
128K97.8Very high98.2Very high177 Ų17727.2 Ų27.277%0.7714%0.135SC*.SBendtrans-80.5-20176.7-62.2-178.3179.7-1800112.7G126 V154G126-K128 PolarHBondContact O-N 2.96Å; K128-V154 PolarHBondContact O-N 3.4Å
129K98.3Very high97.9Very high87 Ų8733.5 Ų33.538%0.37817%0.169SC..EExtended strand (participates in β ladder)trans-127.3127.1-178.7-69.4-67.4-168.3164.30108.7L109 D127 E151 C152 D153L109-K129 HydrophobicContact CD1-CB 4.33Å; D127-K129 VanDerWaalsContact C-N 3.33Å; K129-E151 IonicContact NZ-OE1 3.24Å; K129-E151 PolarHBondContact NZ-OE1 3.36Å; K129-C152 WeakPolarHBondContact CA-O 3.27Å; K129-D153 WeakPolarHBondContact CD-OD1 3.47Å; K129-D153 WeakPolarHBondContact CE-OD1 3.42Å; K129-D153 IonicContact NZ-OD1 3.54Å; K129-D153 PolarHBondContact NZ-OD1 2.92Å
130G98.3Very high97.6Very high2 Ų233.7 Ų33.72%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-118.6-177.9172.700000109.3E151 C152 V154G130-E151 CarbonylContact O-C 3.56Å; G130-E151 VanDerWaalsContact O-CA 3.26Å; G130-E151 WeakPolarHBondContact O-CA 3.39Å; G130-C152 PolarHBondContact N-O 3.28Å; G130-C152 PolarHBondContact O-N 3.29Å; G130-V154 VanDerWaalsContact N-CG2 3.34Å
131G98.4Very high97.2Very high2 Ų236.6 Ų36.62%0.02119%0.191CC..EExtended strand (participates in β ladder)trans162.4-165.7177.600000112.8P107 S108 R150 L168P107-G131 CarbonylContact C-O 3.53Å; S108-G131 CarbonylContact C-O 3.51Å; S108-G131 WeakPolarHBondContact CA-O 3.33Å; S108-G131 PolarHBondContact N-O 2.88Å; S108-G131 VanDerWaalsContact N-O 3.15Å; G131-R150 CarbonylContact C-O 3.55Å; G131-R150 WeakPolarHBondContact CA-O 3.37Å; G131-L168 VanDerWaalsContact C-CD2 3.46Å; G131-L168 WeakPolarHBondContact O-CD2 3.32Å
132F98.8Very high97.1Very high1 Ų136.4 Ų36.40%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-138.8159.8175.772-93.5000111.1Y105 H106 S108 V134 L148 Q149 R150 F167 L168 E171Y105-F132 HydrophobicContact CD2-CB 4.37Å; Y105-F132 AromaticContact CD2-CD2 3.99Å; Y105-F132 HydrophobicContact CD2-CD2 3.99Å; Y105-F132 HydrophobicContact CD2-CG 4.39Å; Y105-F132 HydrophobicContact CE2-CB 3.49Å; Y105-F132 VanDerWaalsContact CE2-CB 3.49Å; Y105-F132 HydrophobicContact CE2-CD1 4.4Å; Y105-F132 AromaticContact CE2-CD2 3.62Å; Y105-F132 HydrophobicContact CE2-CD2 3.62Å; Y105-F132 HydrophobicContact CE2-CE2 4.47Å; Y105-F132 AromaticContact CE2-CG 3.58Å; Y105-F132 HydrophobicContact CE2-CG 3.58Å; H106-F132 CarbonylContact O-C 3.59Å; H106-F132 VanDerWaalsContact O-CA 3.27Å; H106-F132 WeakPolarHBondContact O-CA 3.3Å; H106-F132 WeakPolarHBondContact O-CB 3.49Å; S108-F132 CarbonylContact O-C 3.58Å; S108-F132 WeakPolarHBondContact O-CA 3.42Å; F132-V134 HydrophobicContact CE2-CG2 4.38Å; F132-L148 HydrophobicContact CE2-CD1 3.87Å; F132-Q149 WeakPolarHBondContact O-CA 3.36Å; F132-Q149 WeakPolarHBondContact O-CG 3.12Å; F132-R150 HydrophobicContact CD1-CB 4.19Å; F132-R150 HydrophobicContact CE1-CB 3.59Å; F132-R150 HydrophobicContact CE1-CG 3.94Å; F132-R150 HydrophobicContact CE2-CB 4.49Å; F132-R150 HydrophobicContact CE2-CG 4.31Å; F132-R150 HydrophobicContact CZ-CB 3.76Å; F132-R150 HydrophobicContact CZ-CG 3.6Å; F132-R150 PolarHBondContact N-O 2.76Å; F132-R150 PolarHBondContact O-N 2.99Å; F132-F167 HydrophobicContact CD1-CE1 4.05Å; F132-F167 HydrophobicContact CE1-CE1 4.23Å; F132-L168 HydrophobicContact CB-CD2 4.27Å; F132-E171 VanDerWaalsContact CE1-C 3.43Å; F132-E171 HydrophobicContact CE1-CB 3.72Å; F132-E171 HydrophobicContact CZ-CB 4.42Å; F132-E171 WeakPolarHBondContact CZ-O 3.35Å
133T98.9Very high97Very high0 Ų038.2 Ų38.20%020%0.203CC..EExtended strand (participates in β ladder)trans-126.8136.9177.7-53.60000109.5H106 S108 L110 F135 I146 L148 Q149H106-T133 PolarHBondContact N-O 3.14Å; H106-T133 PolarHBondContact O-N 3.11Å; S108-T133 PolarHBondContact O-N 3.06Å; S108-T133 PolarHBondContact O-OG1 2.91Å; L110-T133 HydrophobicContact CB-CG2 4.14Å; L110-T133 HydrophobicContact CD1-CG2 3.95Å; L110-T133 HydrophobicContact CG-CG2 4.27Å; L110-T133 PolarHBondContact N-OG1 2.8Å; T133-F135 HydrophobicContact CG2-CB 4.21Å; T133-I146 HydrophobicContact CG2-CB 4.34Å; T133-I146 HydrophobicContact CG2-CD1 4.43Å; T133-I146 HydrophobicContact CG2-CG1 3.91Å; T133-I146 HydrophobicContact CG2-CG2 3.85Å; T133-L148 WeakPolarHBondContact CA-O 3.4Å; T133-Q149 PolarHBondContact OG1-NE2 3.05Å
134V98.8Very high96.9Very high0 Ų038.2 Ų38.20%020%0.203CC..EExtended strand (participates in β ladder)trans-103.1125.4158.9177.40000107.2I103 I104 F132 L147 L148 M176 A179I103-V134 HydrophobicContact CB-CG1 4.18Å; I103-V134 HydrophobicContact CD1-CG1 4.43Å; I104-V134 WeakPolarHBondContact O-CA 3.37Å; F132-V134 HydrophobicContact CE2-CG2 4.38Å; V134-L147 HydrophobicContact CG1-CB 4.29Å; V134-L147 HydrophobicContact CG1-CD1 4.45Å; V134-L147 WeakPolarHBondContact O-CA 3.05Å; V134-L147 WeakPolarHBondContact O-CB 3.44Å; V134-L147 PolarHBondContact O-N 3.45Å; V134-L148 HydrophobicContact CB-CD1 3.98Å; V134-L148 HydrophobicContact CB-CG 4.02Å; V134-L148 HydrophobicContact CG2-CD1 3.71Å; V134-L148 HydrophobicContact CG2-CG 4.21Å; V134-L148 PolarHBondContact N-O 2.95Å; V134-L148 PolarHBondContact O-N 3.01Å; V134-M176 HydrophobicContact CB-CE 4.08Å; V134-M176 HydrophobicContact CG1-CE 3.25Å; V134-M176 HydrophobicContact CG1-SD 4.08Å; V134-M176 HydrophobicContact CG2-CE 3.64Å; V134-M176 HydrophobicContact CG2-CG 4.06Å; V134-M176 HydrophobicContact CG2-SD 3.77Å; V134-A179 HydrophobicContact CB-CB 4.37Å; V134-A179 HydrophobicContact CG1-CB 3.74Å; V134-A179 HydrophobicContact CG2-CB 4.49Å
135F98.8Very high96.9Very high1 Ų138.8 Ų38.80%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-134.1160.3-177.174-78.8000111.7I103 I104 H106 L110 T133 D142 P145I103-F135 CarbonylContact C-O 3.53Å; I103-F135 VanDerWaalsContact CA-O 3.25Å; I103-F135 WeakPolarHBondContact CA-O 3.47Å; I104-F135 HydrophobicContact CB-CD1 4.03Å; I104-F135 HydrophobicContact CB-CE1 3.44Å; I104-F135 VanDerWaalsContact CB-CE1 3.44Å; I104-F135 HydrophobicContact CB-CE2 4.35Å; I104-F135 HydrophobicContact CB-CZ 3.63Å; I104-F135 HydrophobicContact CD1-CE1 4.41Å; I104-F135 HydrophobicContact CD1-CE2 4.04Å; I104-F135 HydrophobicContact CD1-CZ 3.68Å; I104-F135 HydrophobicContact CG1-CE1 4.47Å; I104-F135 HydrophobicContact CG1-CZ 4.19Å; I104-F135 HydrophobicContact CG2-CD1 4.41Å; I104-F135 HydrophobicContact CG2-CE1 3.49Å; I104-F135 VanDerWaalsContact CG2-CE1 3.49Å; I104-F135 HydrophobicContact CG2-CZ 3.79Å; I104-F135 PolarHBondContact N-O 2.73Å; I104-F135 WeakPolarHBondContact O-CD1 3.14Å; I104-F135 PolarHBondContact O-N 2.82Å; H106-F135 HydrophobicContact CB-CD1 4.21Å; H106-F135 HydrophobicContact CB-CE1 3.91Å; L110-F135 HydrophobicContact CD1-CB 4.44Å; L110-F135 HydrophobicContact CD1-CD1 3.68Å; L110-F135 HydrophobicContact CD1-CE1 4.03Å; L110-F135 HydrophobicContact CD1-CG 4.02Å; T133-F135 HydrophobicContact CG2-CB 4.21Å; F135-D142 HydrophobicContact CZ-CB 4.15Å; F135-D142 WeakPolarHBondContact CZ-OD1 3.26Å; F135-P145 CarbonylContact C-O 3.59Å; F135-P145 WeakPolarHBondContact CA-O 3.17Å; F135-P145 WeakPolarHBondContact CB-O 3.32Å
136W98.6Very high96.9Very high12 Ų1234.9 Ų34.95%0.04519%0.19CC..EExtended strand (participates in β ladder)trans-79.9126173.4-63.397.3000109.2H100 I103 G144 P145 L147 I183 A188 P189 R190H100-W136 WeakPolarHBondContact O-CZ3 3.34Å; I103-W136 HydrophobicContact CG2-CD2 4.04Å; I103-W136 HydrophobicContact CG2-CE3 3.53Å; I103-W136 HydrophobicContact CG2-CH2 4.35Å; I103-W136 HydrophobicContact CG2-CZ3 3.66Å; W136-G144 CarbonylContact O-C 3.55Å; W136-G144 WeakPolarHBondContact O-CA 3.25Å; W136-P145 VanDerWaalsContact CD1-O 3.24Å; W136-P145 PolarHBondContact N-O 3.46Å; W136-L147 HydrophobicContact CH2-CD1 4.41Å; W136-L147 HydrophobicContact CZ2-CD1 3.83Å; W136-I183 HydrophobicContact CH2-CD1 3.57Å; W136-I183 HydrophobicContact CH2-CG1 3.64Å; W136-I183 HydrophobicContact CZ2-CD1 4.29Å; W136-I183 HydrophobicContact CZ2-CG1 4.12Å; W136-I183 HydrophobicContact CZ3-CD1 3.94Å; W136-I183 HydrophobicContact CZ3-CG1 4.48Å; W136-A188 HydrophobicContact CH2-CB 4.39Å; W136-A188 HydrophobicContact CZ2-CB 3.73Å; W136-P189 PolarHBondContact NE1-O 2.93Å; W136-R190 HydrophobicContact CD2-CG 4.43Å; W136-R190 HydrophobicContact CG-CG 4.24Å; W136-R190 HydrophobicContact CZ2-CG 4.41Å; W136-R190 VanDerWaalsContact NE1-CG 3.28Å
137A97.3Very high97Very high18 Ų1834 Ų3415%0.14918%0.18CC..  trans-64143.4176.700000111.3I95 S102 I104I95-A137 HydrophobicContact CD1-CB 4.12Å; I95-A137 HydrophobicContact CG2-CB 3.58Å; S102-A137 PolarHBondContact O-N 3.33Å; I104-A137 HydrophobicContact CD1-CB 3.61Å; I104-A137 HydrophobicContact CG1-CB 4.11Å
138D94.9Very high97Very high46 Ų4633.7 Ų33.725%0.24618%0.179CC..  trans-134-169.6171.264.9-11.1000109.6G140 T143 G144D138-G140 VanDerWaalsContact C-N 3.27Å; D138-G140 PolarHBondContact O-N 3.15Å; D138-G140 PolarHBondContact OD1-N 3.25Å; D138-T143 PolarHBondContact OD1-OG1 3.09Å; D138-T143 PolarHBondContact OD2-OG1 3.31Å; D138-G144 VanDerWaalsContact CG-N 3.32Å; D138-G144 WeakPolarHBondContact OD1-CA 3.41Å; D138-G144 PolarHBondContact OD1-N 2.98Å; D138-G144 VanDerWaalsContact OD1-N 3.07Å; D138-G144 WeakPolarHBondContact OD2-CA 3.14Å; D138-G144 PolarHBondContact OD2-N 3.01Å; D138-G144 VanDerWaalsContact OD2-N 3.15Å
139D91.9Very high97Very high133 Ų13328.5 Ų28.571%0.71116%0.157SC*.SBendtrans-81.3-3.3-178.861.3-14.6000114M92M92-D139 HydrophobicContact CE-CB 4.29Å; M92-D139 HydrophobicContact CG-CB 4.49Å; M92-D139 HydrophobicContact SD-CB 4.32Å
140G90.9Very high97Very high24 Ų2428.9 Ų28.925%0.24716%0.156CC..SBendtrans-96.2174.3174.300000113.6D138 D142 T143D138-G140 VanDerWaalsContact C-N 3.27Å; D138-G140 PolarHBondContact O-N 3.15Å; D138-G140 PolarHBondContact OD1-N 3.25Å; G140-D142 PolarHBondContact O-N 3.23Å; G140-T143 VanDerWaalsContact CA-OG1 3.25Å; G140-T143 WeakPolarHBondContact CA-OG1 3.41Å
141L90.9Very high97Very high77 Ų7734.3 Ų34.340%0.40318%0.181SC..SBendtrans-90.4103.2178.4-173.570.2000109.8R114 T143 Y200R114-L141 WeakPolarHBondContact CD-O 3.3Å; L141-T143 WeakPolarHBondContact O-CG2 3.23Å; L141-T143 PolarHBondContact O-N 2.82Å; L141-Y200 HydrophobicContact CD2-CD2 3.87Å; L141-Y200 HydrophobicContact CD2-CE2 3.32Å
142D94.9Very high97Very high23 Ų2334.9 Ų34.912%0.12319%0.185CC..SBendtrans55.632.7-179.2-51.7-35.7000113.7H106 L110 R114 G115 F135 G140 Q193H106-D142 IonicContact CE1-OD2 3.92Å; H106-D142 PolarHBondContact CE1-OD2 2.91Å; H106-D142 VanDerWaalsContact CE1-OD2 3.25Å; H106-D142 IonicContact ND1-OD2 3.26Å; L110-D142 HydrophobicContact CD1-CB 4.49Å; L110-D142 HydrophobicContact CD2-CB 4.22Å; R114-D142 HydrophobicContact CB-CB 4.01Å; R114-D142 HydrophobicContact CG-CB 3.9Å; R114-D142 PolarHBondContact NE-O 3.36Å; R114-D142 VanDerWaalsContact NE-O 3.15Å; G115-D142 WeakPolarHBondContact CA-OD2 3.37Å; G115-D142 PolarHBondContact N-OD2 2.95Å; F135-D142 HydrophobicContact CZ-CB 4.15Å; F135-D142 WeakPolarHBondContact CZ-OD1 3.26Å; G140-D142 PolarHBondContact O-N 3.23Å; D142-Q193 PolarHBondContact O-NE2 3.02Å; D142-Q193 PolarHBondContact O-OE1 2.74Å
143T96.9Very high97Very high43 Ų4339.8 Ų39.826%0.26421%0.211SC..  trans-97.8-17.8-176.853.30000114.2D138 G140 L141 Q193D138-T143 PolarHBondContact OD1-OG1 3.09Å; D138-T143 PolarHBondContact OD2-OG1 3.31Å; G140-T143 VanDerWaalsContact CA-OG1 3.25Å; G140-T143 WeakPolarHBondContact CA-OG1 3.41Å; L141-T143 WeakPolarHBondContact O-CG2 3.23Å; L141-T143 PolarHBondContact O-N 2.82Å; T143-Q193 VanDerWaalsContact C-NE2 3.3Å; T143-Q193 PolarHBondContact O-NE2 3.47Å
144G97.6Very high96.9Very high0 Ų040.6 Ų40.60%022%0.215CC..SBendtrans-67.4164-169.200000115.3W136 D138 I146 Q193W136-G144 CarbonylContact O-C 3.55Å; W136-G144 WeakPolarHBondContact O-CA 3.25Å; D138-G144 VanDerWaalsContact CG-N 3.32Å; D138-G144 WeakPolarHBondContact OD1-CA 3.41Å; D138-G144 PolarHBondContact OD1-N 2.98Å; D138-G144 VanDerWaalsContact OD1-N 3.07Å; D138-G144 WeakPolarHBondContact OD2-CA 3.14Å; D138-G144 PolarHBondContact OD2-N 3.01Å; D138-G144 VanDerWaalsContact OD2-N 3.15Å; G144-I146 PolarHBondContact O-N 2.85Å; G144-Q193 PolarHBondContact O-NE2 3.21Å
145P98.6Very high96.6Very high32 Ų3245.6 Ų45.621%0.20824%0.239CC..PPolyproline II helixtrans-58.8137.5-171.7-24.733000113.5F135 W136 R190 I191F135-P145 CarbonylContact C-O 3.59Å; F135-P145 WeakPolarHBondContact CA-O 3.17Å; F135-P145 WeakPolarHBondContact CB-O 3.32Å; W136-P145 VanDerWaalsContact CD1-O 3.24Å; W136-P145 PolarHBondContact N-O 3.46Å; P145-R190 HydrophobicContact CB-CB 4.21Å; P145-I191 CarbonylContact C-O 3.58Å; P145-I191 VanDerWaalsContact CA-O 3.29Å; P145-I191 WeakPolarHBondContact CA-O 3.41Å
146I98.8Very high96.2Very high14 Ų1450.4 Ų50.47%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-69.1131.9176.4-60.1172.7000109.7T133 G144 Q149 I191 Q193T133-I146 HydrophobicContact CG2-CB 4.34Å; T133-I146 HydrophobicContact CG2-CD1 4.43Å; T133-I146 HydrophobicContact CG2-CG1 3.91Å; T133-I146 HydrophobicContact CG2-CG2 3.85Å; G144-I146 PolarHBondContact O-N 2.85Å; I146-Q149 HydrophobicContact CG2-CB 4.34Å; I146-I191 HydrophobicContact CB-CB 4.27Å; I146-I191 PolarHBondContact N-O 3.38Å; I146-I191 PolarHBondContact O-N 2.92Å; I146-Q193 HydrophobicContact CD1-CG 4.02Å; I146-Q193 HydrophobicContact CG1-CG 3.79Å
147L98.8Very high95.8Very high4 Ų453.3 Ų53.32%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-94.6-48.7170-170.5164.8000110I103 V134 W136 A179 L182 I183 A188 P189I103-L147 HydrophobicContact CG2-CD1 3.93Å; V134-L147 HydrophobicContact CG1-CB 4.29Å; V134-L147 HydrophobicContact CG1-CD1 4.45Å; V134-L147 WeakPolarHBondContact O-CA 3.05Å; V134-L147 WeakPolarHBondContact O-CB 3.44Å; V134-L147 PolarHBondContact O-N 3.45Å; W136-L147 HydrophobicContact CH2-CD1 4.41Å; W136-L147 HydrophobicContact CZ2-CD1 3.83Å; L147-A179 HydrophobicContact CD1-CB 3.98Å; L147-A179 HydrophobicContact CD2-CB 3.59Å; L147-A179 HydrophobicContact CG-CB 4.43Å; L147-L182 HydrophobicContact CD2-CD1 4.04Å; L147-I183 HydrophobicContact CD1-CD1 3.96Å; L147-I183 HydrophobicContact CD1-CG1 4.1Å; L147-A188 HydrophobicContact CD1-CB 4.05Å; L147-A188 HydrophobicContact CG-CB 4.18Å; L147-P189 WeakPolarHBondContact O-CG 3.38Å
148L98.4Very high95.6Very high12 Ų1252.7 Ų52.76%0.06328%0.281CS..EExtended strand (participates in β ladder)trans-153.5160.6170.360.779.4000110.9F132 T133 V134 E178 A179 L182F132-L148 HydrophobicContact CE2-CD1 3.87Å; T133-L148 WeakPolarHBondContact CA-O 3.4Å; V134-L148 HydrophobicContact CB-CD1 3.98Å; V134-L148 HydrophobicContact CB-CG 4.02Å; V134-L148 HydrophobicContact CG2-CD1 3.71Å; V134-L148 HydrophobicContact CG2-CG 4.21Å; V134-L148 PolarHBondContact N-O 2.95Å; V134-L148 PolarHBondContact O-N 3.01Å; L148-E178 HydrophobicContact CD2-CB 4.24Å; L148-E178 HydrophobicContact CD2-CG 4.18Å; L148-A179 HydrophobicContact CD2-CB 4.07Å; L148-L182 HydrophobicContact CD2-CD1 4.42Å
149Q98.6Very high95.5Very high68 Ų6851.1 Ų51.132%0.31827%0.273SS..EExtended strand (participates in β ladder)trans-143148.3178.5-167.7171.476.400109L109 L110 F132 T133 I146L109-Q149 HydrophobicContact CD2-CG 3.54Å; L110-Q149 VanDerWaalsContact N-NE2 3.19Å; L110-Q149 PolarHBondContact O-NE2 2.93Å; F132-Q149 WeakPolarHBondContact O-CA 3.36Å; F132-Q149 WeakPolarHBondContact O-CG 3.12Å; T133-Q149 PolarHBondContact OG1-NE2 3.05Å; I146-Q149 HydrophobicContact CG2-CB 4.34Å
150R98.6Very high95.4Very high95 Ų9545.8 Ų45.836%0.35825%0.245SC..EExtended strand (participates in β ladder)trans-139.3137175.1-63.7-68.1-176.1-93.5-3.2109.1L109 G131 F132 F167 E178L109-R150 WeakPolarHBondContact CD2-O 3.19Å; G131-R150 CarbonylContact C-O 3.55Å; G131-R150 WeakPolarHBondContact CA-O 3.37Å; F132-R150 HydrophobicContact CD1-CB 4.19Å; F132-R150 HydrophobicContact CE1-CB 3.59Å; F132-R150 HydrophobicContact CE1-CG 3.94Å; F132-R150 HydrophobicContact CE2-CB 4.49Å; F132-R150 HydrophobicContact CE2-CG 4.31Å; F132-R150 HydrophobicContact CZ-CB 3.76Å; F132-R150 HydrophobicContact CZ-CG 3.6Å; F132-R150 PolarHBondContact N-O 2.76Å; F132-R150 PolarHBondContact O-N 2.99Å; R150-F167 HydrophobicContact CB-CZ 4.11Å; R150-E178 IonicContact CZ-OE2 3.34Å; R150-E178 IonicContact NH2-OE1 3.16Å; R150-E178 PolarHBondContact NH2-OE1 3.49Å; R150-E178 IonicContact NH2-OE2 3.75Å; R150-E178 PolarHBondContact NH2-OE2 3.01Å
151E98.4Very high95.2Very high115 Ų11546.8 Ų46.854%0.53725%0.245SC..EExtended strand (participates in β ladder)trans-109.7157.4179.765169.8-119.500112.5L109 K129 G130 F167L109-E151 HydrophobicContact CD1-CB 4.17Å; L109-E151 HydrophobicContact CD2-CB 4.14Å; K129-E151 IonicContact NZ-OE1 3.24Å; K129-E151 PolarHBondContact NZ-OE1 3.36Å; G130-E151 CarbonylContact O-C 3.56Å; G130-E151 VanDerWaalsContact O-CA 3.26Å; G130-E151 WeakPolarHBondContact O-CA 3.39Å; E151-F167 WeakPolarHBondContact O-CZ 3.15Å
152C97.7Very high94.8Very high15 Ų1545.7 Ų45.710%0.10124%0.241CC..EExtended strand (participates in β ladder)trans-141.1160.5166.8660000110.6K129 G130 F167K129-C152 WeakPolarHBondContact CA-O 3.27Å; G130-C152 PolarHBondContact N-O 3.28Å; G130-C152 PolarHBondContact O-N 3.29Å; C152-F167 HydrophobicContact CB-CB 4.34Å; C152-F167 HydrophobicContact CB-CD1 3.67Å; C152-F167 HydrophobicContact CB-CD2 3.66Å; C152-F167 HydrophobicContact CB-CE1 3.77Å; C152-F167 HydrophobicContact CB-CE2 3.75Å; C152-F167 HydrophobicContact CB-CG 3.61Å; C152-F167 HydrophobicContact CB-CZ 3.8Å; C152-F167 WeakPolarHBondContact SG-CD1 3.3Å
153D97.8Very high94.7Very high103 Ų10344.7 Ų44.755%0.55124%0.236SC*.EExtended strand (participates in β ladder)trans-71.9136.9167.7-61.8-35.5000109.8K129 R166K129-D153 WeakPolarHBondContact CD-OD1 3.47Å; K129-D153 WeakPolarHBondContact CE-OD1 3.42Å; K129-D153 IonicContact NZ-OD1 3.54Å; K129-D153 PolarHBondContact NZ-OD1 2.92Å; D153-R166 PolarHBondContact O-NH2 3.48Å
154V97.4Very high94.4Very high17 Ų1745.3 Ų45.310%0.10323%0.234CC..PPolyproline II helixtrans-88.6116.8169.7-178.20000107.2T122 L123 D127 K128 G130 D158 I163T122-V154 HydrophobicContact CG2-CG2 4.3Å; L123-V154 HydrophobicContact CD2-CG1 3.63Å; D127-V154 WeakPolarHBondContact O-CB 3.29Å; D127-V154 WeakPolarHBondContact O-CG1 3.22Å; D127-V154 VanDerWaalsContact O-CG2 3.31Å; D127-V154 WeakPolarHBondContact O-CG2 3.46Å; K128-V154 PolarHBondContact O-N 3.4Å; G130-V154 VanDerWaalsContact N-CG2 3.34Å; V154-D158 HydrophobicContact CG1-CB 4.17Å; V154-I163 HydrophobicContact CG2-CD1 3.99Å
155E92.5Very high93.8Very high106 Ų10650.5 Ų50.550%0.49526%0.256SS..PPolyproline II helixtrans-72.1149.7176.9-67.1178.8-152.200110N157 D158 R166E155-N157 PolarHBondContact O-N 2.85Å; E155-N157 VanDerWaalsContact O-N 3.1Å; E155-D158 HydrophobicContact CB-CB 4.49Å; E155-D158 PolarHBondContact N-OD2 2.97Å; E155-D158 WeakPolarHBondContact O-CB 3.44Å; E155-D158 PolarHBondContact O-N 2.64Å; E155-R166 IonicContact OE1-CZ 2.72Å; E155-R166 IonicContact OE1-NE 2.76Å; E155-R166 IonicContact OE1-NH1 2.73Å; E155-R166 PolarHBondContact OE1-NH1 3.09Å; E155-R166 IonicContact OE2-NH1 3.45Å
156P91.2Very high93.4Very high101 Ų10153.5 Ų53.566%0.65626%0.264SS*.THydrogen-bonded Turntrans-52.5-39.2-176.1-28.735.3000113.5H221 R225P156-H221 PolarHBondContact O-NE2 2.96Å; P156-R225 WeakPolarHBondContact O-CD 3.25Å
157N90.5Very high93Very high74 Ų7454.5 Ų54.540%0.39627%0.267SS..THydrogen-bonded Turntrans-10418.5-178-57.3-38.5000113.1E155 T159 H221E155-N157 PolarHBondContact O-N 2.85Å; E155-N157 VanDerWaalsContact O-N 3.1Å; N157-T159 PolarHBondContact O-N 3.45Å; N157-H221 PolarHBondContact OD1-CE1 2.97Å
158D91.6Very high92.9Very high4 Ų454.4 Ų54.42%0.02127%0.267CS..  trans-61.7127.3173-90.8-26.8000110.5L123 V154 E155 T162 I163 R166 R225L123-D158 HydrophobicContact CD2-CB 4.08Å; V154-D158 HydrophobicContact CG1-CB 4.17Å; E155-D158 HydrophobicContact CB-CB 4.49Å; E155-D158 PolarHBondContact N-OD2 2.97Å; E155-D158 WeakPolarHBondContact O-CB 3.44Å; E155-D158 PolarHBondContact O-N 2.64Å; D158-T162 WeakPolarHBondContact CA-OG1 3.48Å; D158-T162 PolarHBondContact OD1-OG1 3.05Å; D158-I163 HydrophobicContact CB-CB 4.39Å; D158-R166 VanDerWaalsContact CG-NH1 3.32Å; D158-R166 IonicContact OD1-CZ 3.43Å; D158-R166 IonicContact OD1-NH1 3.57Å; D158-R166 PolarHBondContact OD1-NH1 3.37Å; D158-R166 IonicContact OD1-NH2 3.72Å; D158-R166 IonicContact OD2-CZ 3.55Å; D158-R166 IonicContact OD2-NH1 3Å; D158-R166 PolarHBondContact OD2-NH1 3.35Å; D158-R166 VanDerWaalsContact OD2-NH1 3.16Å; D158-R166 IonicContact OD2-NH2 2.75Å; D158-R166 PolarHBondContact OD2-NH2 3.44Å; D158-R225 WeakPolarHBondContact O-CB 3.28Å; D158-R225 WeakPolarHBondContact O-CD 3.48Å; D158-R225 VanDerWaalsContact O-CG 3.32Å; D158-R225 WeakPolarHBondContact O-CG 3.4Å; D158-R225 PolarHBondContact O-NH1 3.06Å
159T93.3Very high92.6Very high13 Ų1356.3 Ų56.38%0.0828%0.275CS..  trans-96.7164.3164.677.50000111.1N157 N161 T162 I163 R225 D228N157-T159 PolarHBondContact O-N 3.45Å; T159-N161 PolarHBondContact O-N 3.15Å; T159-N161 VanDerWaalsContact O-N 3.14Å; T159-N161 PolarHBondContact OG1-N 3.33Å; T159-T162 PolarHBondContact N-OG1 2.9Å; T159-T162 PolarHBondContact O-N 2.92Å; T159-T162 PolarHBondContact O-OG1 3.46Å; T159-T162 WeakPolarHBondContact OG1-CG2 3.38Å; T159-T162 PolarHBondContact OG1-N 3.21Å; T159-T162 PolarHBondContact OG1-OG1 3.47Å; T159-I163 WeakPolarHBondContact O-CG2 3.22Å; T159-I163 PolarHBondContact O-N 2.84Å; T159-I163 VanDerWaalsContact O-N 3.11Å; T159-R225 WeakPolarHBondContact CA-O 3.48Å; T159-R225 HydrophobicContact CG2-CB 4.33Å; T159-D228 VanDerWaalsContact CB-O 3.31Å; T159-D228 WeakPolarHBondContact CB-O 3.48Å; T159-D228 HydrophobicContact CG2-CB 3.86Å
160V90.3Very high92.1Very high21 Ų2155 Ų5513%0.12727%0.273CS..Hα-helixtrans-49.4-44.6176.5178.60000110.5I119 L123 Y164 R225 G226 D228I119-V160 HydrophobicContact CB-CG1 4.2Å; I119-V160 HydrophobicContact CG2-CB 4.3Å; I119-V160 HydrophobicContact CG2-CG1 3.83Å; L123-V160 HydrophobicContact CD1-CB 4.35Å; L123-V160 HydrophobicContact CD1-CG2 3.86Å; V160-Y164 WeakPolarHBondContact O-CB 3.42Å; V160-Y164 PolarHBondContact O-N 2.93Å; V160-R225 PolarHBondContact N-O 3Å; V160-G226 WeakPolarHBondContact CG2-O 3.31Å; V160-D228 VanDerWaalsContact CB-O 3.26Å; V160-D228 WeakPolarHBondContact CB-O 3.49Å; V160-D228 PolarHBondContact N-O 3.44Å
161N85.4Confident92Very high45 Ų4553.5 Ų53.524%0.24127%0.269CS..Hα-helixtrans-69.8-40.5-178.7179.852.2000112.8T159 K165 D228T159-N161 PolarHBondContact O-N 3.15Å; T159-N161 VanDerWaalsContact O-N 3.14Å; T159-N161 PolarHBondContact OG1-N 3.33Å; N161-K165 WeakPolarHBondContact O-CB 3.34Å; N161-K165 WeakPolarHBondContact O-CG 3.34Å; N161-K165 PolarHBondContact O-N 3.02Å; N161-K165 WeakPolarHBondContact OD1-CE 3.31Å; N161-D228 PolarHBondContact N-O 3.32Å
162T83.2Confident92Very high54 Ų5448 Ų4833%0.33124%0.244SC..Hα-helixtrans-69.1-49.3-177.553.70000112.8D158 T159 Y164 K165 R166D158-T162 WeakPolarHBondContact CA-OG1 3.48Å; D158-T162 PolarHBondContact OD1-OG1 3.05Å; T159-T162 PolarHBondContact N-OG1 2.9Å; T159-T162 PolarHBondContact O-N 2.92Å; T159-T162 PolarHBondContact O-OG1 3.46Å; T159-T162 WeakPolarHBondContact OG1-CG2 3.38Å; T159-T162 PolarHBondContact OG1-N 3.21Å; T159-T162 PolarHBondContact OG1-OG1 3.47Å; T162-Y164 VanDerWaalsContact C-N 3.28Å; T162-Y164 PolarHBondContact O-N 3.36Å; T162-K165 PolarHBondContact O-N 3.4Å; T162-R166 VanDerWaalsContact O-CB 3.25Å; T162-R166 WeakPolarHBondContact O-CB 3.5Å; T162-R166 PolarHBondContact O-N 2.86Å
163I92.3Very high92Very high2 Ų248 Ų481%0.0124%0.243CC..Hα-helixtrans-64.7-35.8177.1-167171.7000111.4I119 L123 V154 D158 T159 F167 L168I119-I163 HydrophobicContact CG2-CG2 3.69Å; L123-I163 HydrophobicContact CD1-CG2 4.33Å; L123-I163 HydrophobicContact CD2-CG2 4.49Å; V154-I163 HydrophobicContact CG2-CD1 3.99Å; D158-I163 HydrophobicContact CB-CB 4.39Å; T159-I163 WeakPolarHBondContact O-CG2 3.22Å; T159-I163 PolarHBondContact O-N 2.84Å; T159-I163 VanDerWaalsContact O-N 3.11Å; I163-F167 PolarHBondContact O-N 2.75Å; I163-L168 HydrophobicContact CG1-CD1 4.37Å; I163-L168 HydrophobicContact CG1-CG 4.44Å; I163-L168 HydrophobicContact CG2-CD1 4.14Å; I163-L168 PolarHBondContact O-N 3.45Å
164Y91.4Very high92Very high56 Ų5648.8 Ų48.822%0.2224%0.242CC..Iπ-helixtrans-61.1-51.4175-179.4-101.7000111.7I119 V160 T162 L168 F169I119-Y164 HydrophobicContact CD1-CD2 3.87Å; V160-Y164 WeakPolarHBondContact O-CB 3.42Å; V160-Y164 PolarHBondContact O-N 2.93Å; T162-Y164 VanDerWaalsContact C-N 3.28Å; T162-Y164 PolarHBondContact O-N 3.36Å; Y164-L168 HydrophobicContact CD2-CB 4.22Å; Y164-L168 PolarHBondContact O-N 2.68Å; Y164-F169 HydrophobicContact CD1-CB 4.2Å; Y164-F169 HydrophobicContact CE1-CB 4Å; Y164-F169 AromaticContact CE1-CD2 3.65Å; Y164-F169 HydrophobicContact CE1-CD2 3.65Å; Y164-F169 HydrophobicContact CE1-CG 4.24Å; Y164-F169 HydrophobicContact CE2-CB 4.36Å; Y164-F169 HydrophobicContact CE2-CD2 4.44Å; Y164-F169 HydrophobicContact CG-CB 4.49Å; Y164-F169 AromaticContact CZ-CD2 3.58Å; Y164-F169 WeakPolarHBondContact O-CB 3.31Å; Y164-F169 PolarHBondContact O-N 3.06Å; Y164-F169 WeakPolarHBondContact OH-CD2 3.45Å
165K84.8Confident92.1Very high109 Ų10948 Ų4847%0.47424%0.238SC..Iπ-helixtrans-69.1-40-180-73.7-178.1175.4-176.10113.1N161 T162 P170N161-K165 WeakPolarHBondContact O-CB 3.34Å; N161-K165 WeakPolarHBondContact O-CG 3.34Å; N161-K165 PolarHBondContact O-N 3.02Å; N161-K165 WeakPolarHBondContact OD1-CE 3.31Å; T162-K165 PolarHBondContact O-N 3.4Å; K165-P170 WeakPolarHBondContact O-CD 3.4Å
166R90.2Very high92.4Very high95 Ų9543 Ų4336%0.35821%0.214SC..Iπ-helixtrans-68-42.2-177.1-175.6-178.871.3-128.4-8111.8D153 E155 D158 T162D153-R166 PolarHBondContact O-NH2 3.48Å; E155-R166 IonicContact OE1-CZ 2.72Å; E155-R166 IonicContact OE1-NE 2.76Å; E155-R166 IonicContact OE1-NH1 2.73Å; E155-R166 PolarHBondContact OE1-NH1 3.09Å; E155-R166 IonicContact OE2-NH1 3.45Å; D158-R166 VanDerWaalsContact CG-NH1 3.32Å; D158-R166 IonicContact OD1-CZ 3.43Å; D158-R166 IonicContact OD1-NH1 3.57Å; D158-R166 PolarHBondContact OD1-NH1 3.37Å; D158-R166 IonicContact OD1-NH2 3.72Å; D158-R166 IonicContact OD2-CZ 3.55Å; D158-R166 IonicContact OD2-NH1 3Å; D158-R166 PolarHBondContact OD2-NH1 3.35Å; D158-R166 VanDerWaalsContact OD2-NH1 3.16Å; D158-R166 IonicContact OD2-NH2 2.75Å; D158-R166 PolarHBondContact OD2-NH2 3.44Å; T162-R166 VanDerWaalsContact O-CB 3.25Å; T162-R166 WeakPolarHBondContact O-CB 3.5Å; T162-R166 PolarHBondContact O-N 2.86Å
167F91.1Very high92.7Very high35 Ų3538.5 Ų38.515%0.15419%0.185CC..Iπ-helixtrans-133.5-58.6-167.6-173.5-97.7000113.9F132 R150 E151 C152 I163 F169 P170 E171F132-F167 HydrophobicContact CD1-CE1 4.05Å; F132-F167 HydrophobicContact CE1-CE1 4.23Å; R150-F167 HydrophobicContact CB-CZ 4.11Å; E151-F167 WeakPolarHBondContact O-CZ 3.15Å; C152-F167 HydrophobicContact CB-CB 4.34Å; C152-F167 HydrophobicContact CB-CD1 3.67Å; C152-F167 HydrophobicContact CB-CD2 3.66Å; C152-F167 HydrophobicContact CB-CE1 3.77Å; C152-F167 HydrophobicContact CB-CE2 3.75Å; C152-F167 HydrophobicContact CB-CG 3.61Å; C152-F167 HydrophobicContact CB-CZ 3.8Å; C152-F167 WeakPolarHBondContact SG-CD1 3.3Å; I163-F167 PolarHBondContact O-N 2.75Å; F167-F169 VanDerWaalsContact C-N 3.34Å; F167-F169 PolarHBondContact O-N 3Å; F167-P170 WeakPolarHBondContact O-CD 3.35Å; F167-E171 HydrophobicContact CD2-CB 4.39Å; F167-E171 HydrophobicContact CD2-CG 3.85Å; F167-E171 HydrophobicContact CE2-CB 4.22Å; F167-E171 HydrophobicContact CE2-CG 3.8Å; F167-E171 HydrophobicContact CG-CG 4.48Å; F167-E171 HydrophobicContact CZ-CB 4.32Å; F167-E171 HydrophobicContact CZ-CG 4.39Å; F167-E171 VanDerWaalsContact O-CB 3.32Å; F167-E171 WeakPolarHBondContact O-CB 3.48Å; F167-E171 PolarHBondContact O-N 3.46Å
168L95.6Very high93.1Very high3 Ų338.3 Ų38.32%0.01618%0.182CC..Iπ-helixtrans-63.2-38.6-167.1-56.5169000112.7Y105 P107 I119 G131 F132 I163 Y164 G172Y105-L168 PolarHBondContact OH-O 3.09Å; Y105-L168 VanDerWaalsContact OH-O 3.11Å; P107-L168 HydrophobicContact CB-CD1 4.37Å; I119-L168 HydrophobicContact CD1-CD1 3.62Å; I119-L168 HydrophobicContact CG1-CD1 3.72Å; I119-L168 HydrophobicContact CG2-CD1 4.04Å; G131-L168 VanDerWaalsContact C-CD2 3.46Å; G131-L168 WeakPolarHBondContact O-CD2 3.32Å; F132-L168 HydrophobicContact CB-CD2 4.27Å; I163-L168 HydrophobicContact CG1-CD1 4.37Å; I163-L168 HydrophobicContact CG1-CG 4.44Å; I163-L168 HydrophobicContact CG2-CD1 4.14Å; I163-L168 PolarHBondContact O-N 3.45Å; Y164-L168 HydrophobicContact CD2-CB 4.22Å; Y164-L168 PolarHBondContact O-N 2.68Å; L168-G172 WeakPolarHBondContact O-CA 3.39Å; L168-G172 PolarHBondContact O-N 3.1Å
169F93Very high93.4Very high51 Ų5138.1 Ų38.122%0.22418%0.181CC..Hα-helixtrans-68.2-63.8176.1-175.8-80.9000112.2L10 F11 E14 Y164 F167 E171 G172 V173L10-F169 HydrophobicContact CB-CE2 4.12Å; L10-F169 HydrophobicContact CB-CZ 4.34Å; F11-F169 HydrophobicContact CB-CD2 4.14Å; F11-F169 HydrophobicContact CB-CE2 3.89Å; F11-F169 AromaticContact CD2-CD2 3.7Å; F11-F169 HydrophobicContact CD2-CD2 3.7Å; F11-F169 HydrophobicContact CD2-CE2 4.11Å; F11-F169 HydrophobicContact CD2-CG 4.22Å; F11-F169 HydrophobicContact CG-CD2 4.42Å; F11-F169 HydrophobicContact CG-CE2 4.48Å; E14-F169 HydrophobicContact CB-CZ 4.43Å; E14-F169 HydrophobicContact CG-CE1 4.34Å; E14-F169 HydrophobicContact CG-CZ 3.91Å; Y164-F169 HydrophobicContact CD1-CB 4.2Å; Y164-F169 HydrophobicContact CE1-CB 4Å; Y164-F169 AromaticContact CE1-CD2 3.65Å; Y164-F169 HydrophobicContact CE1-CD2 3.65Å; Y164-F169 HydrophobicContact CE1-CG 4.24Å; Y164-F169 HydrophobicContact CE2-CB 4.36Å; Y164-F169 HydrophobicContact CE2-CD2 4.44Å; Y164-F169 HydrophobicContact CG-CB 4.49Å; Y164-F169 AromaticContact CZ-CD2 3.58Å; Y164-F169 WeakPolarHBondContact O-CB 3.31Å; Y164-F169 PolarHBondContact O-N 3.06Å; Y164-F169 WeakPolarHBondContact OH-CD2 3.45Å; F167-F169 VanDerWaalsContact C-N 3.34Å; F167-F169 PolarHBondContact O-N 3Å; F169-E171 PolarHBondContact O-N 2.98Å; F169-G172 PolarHBondContact O-N 2.73Å; F169-V173 WeakPolarHBondContact O-CG2 3.33Å; F169-V173 PolarHBondContact O-N 3.04Å; F169-V173 VanDerWaalsContact O-N 3.08Å
170P87.8Confident93.7Very high42 Ų4237.5 Ų37.527%0.27318%0.177SC..Hα-helixtrans-65.3-41.9-173.925.1-35.2000113K165 F167 K174K165-P170 WeakPolarHBondContact O-CD 3.4Å; F167-P170 WeakPolarHBondContact O-CD 3.35Å; P170-K174 WeakPolarHBondContact O-CG 3.49Å; P170-K174 PolarHBondContact O-N 3.17Å
171E96.9Very high94.1Very high62 Ų6241.6 Ų41.629%0.2919%0.19SC..Hα-helixtrans-78.7-30.3179.9-62.2-55.5126.100111.9F132 F167 F169 K174 G175F132-E171 VanDerWaalsContact CE1-C 3.43Å; F132-E171 HydrophobicContact CE1-CB 3.72Å; F132-E171 HydrophobicContact CZ-CB 4.42Å; F132-E171 WeakPolarHBondContact CZ-O 3.35Å; F167-E171 HydrophobicContact CD2-CB 4.39Å; F167-E171 HydrophobicContact CD2-CG 3.85Å; F167-E171 HydrophobicContact CE2-CB 4.22Å; F167-E171 HydrophobicContact CE2-CG 3.8Å; F167-E171 HydrophobicContact CG-CG 4.48Å; F167-E171 HydrophobicContact CZ-CB 4.32Å; F167-E171 HydrophobicContact CZ-CG 4.39Å; F167-E171 VanDerWaalsContact O-CB 3.32Å; F167-E171 WeakPolarHBondContact O-CB 3.48Å; F167-E171 PolarHBondContact O-N 3.46Å; F169-E171 PolarHBondContact O-N 2.98Å; E171-K174 PolarHBondContact O-N 3.28Å; E171-K174 IonicContact OE1-NZ 3.9Å; E171-K174 PolarHBondContact OE1-NZ 2.87Å; E171-K174 IonicContact OE2-NZ 3.68Å; E171-G175 PolarHBondContact O-N 2.65Å
172G98.2Very high94.7Very high0 Ų041.6 Ų41.60%019%0.19CC..Hα-helixtrans-63.9-42.4173.800000112.8L168 F169 G175 M176L168-G172 WeakPolarHBondContact O-CA 3.39Å; L168-G172 PolarHBondContact O-N 3.1Å; F169-G172 PolarHBondContact O-N 2.73Å; G172-G175 PolarHBondContact O-N 3.26Å; G172-M176 WeakPolarHBondContact O-CG 3.22Å; G172-M176 PolarHBondContact O-N 3.26Å
173V97.9Very high95.4Very high14 Ų1439.6 Ų39.69%0.08518%0.177CC..Hα-helixtrans-60.3-48.4173.9172.70000110.4F11 E14 V15 E18 F169 G175 M176 V177F11-V173 HydrophobicContact CD2-CG2 3.9Å; F11-V173 HydrophobicContact CE2-CG2 3.77Å; F11-V173 HydrophobicContact CZ-CG2 4.27Å; E14-V173 HydrophobicContact CB-CG1 4.28Å; E14-V173 HydrophobicContact CB-CG2 4.04Å; V15-V173 HydrophobicContact CG2-CB 4.39Å; V15-V173 HydrophobicContact CG2-CG1 4.28Å; V15-V173 HydrophobicContact CG2-CG2 4.1Å; E18-V173 HydrophobicContact CG-CG1 4.37Å; F169-V173 WeakPolarHBondContact O-CG2 3.33Å; F169-V173 PolarHBondContact O-N 3.04Å; F169-V173 VanDerWaalsContact O-N 3.08Å; V173-G175 PolarHBondContact O-N 2.82Å; V173-M176 PolarHBondContact O-N 3.3Å; V173-V177 WeakPolarHBondContact O-CG2 3.32Å; V173-V177 PolarHBondContact O-N 2.98Å; V173-V177 VanDerWaalsContact O-N 3.13Å
174K98.1Very high95.6Very high120 Ų12043 Ų4352%0.52220%0.198SC..Hα-helixtrans-59.8-46.2176.9-69.5172.8-172.1171.10111.8P170 E171 M176 V177 E178P170-K174 WeakPolarHBondContact O-CG 3.49Å; P170-K174 PolarHBondContact O-N 3.17Å; E171-K174 PolarHBondContact O-N 3.28Å; E171-K174 IonicContact OE1-NZ 3.9Å; E171-K174 PolarHBondContact OE1-NZ 2.87Å; E171-K174 IonicContact OE2-NZ 3.68Å; K174-M176 VanDerWaalsContact C-N 3.25Å; K174-M176 PolarHBondContact O-N 3.2Å; K174-V177 PolarHBondContact O-N 3.21Å; K174-E178 WeakPolarHBondContact O-CB 3.46Å; K174-E178 PolarHBondContact O-N 3.48Å
175G98.5Very high95.9Very high2 Ų247.5 Ų47.52%0.02122%0.218CC..Hα-helixtrans-60.2-37.2177.900000111.7E171 G172 V173 E178 A179E171-G175 PolarHBondContact O-N 2.65Å; G172-G175 PolarHBondContact O-N 3.26Å; V173-G175 PolarHBondContact O-N 2.82Å; G175-E178 PolarHBondContact O-N 3.41Å; G175-A179 WeakPolarHBondContact O-CB 3.46Å; G175-A179 PolarHBondContact O-N 3.41Å
176M98.6Very high96.5Very high0 Ų045.7 Ų45.70%023%0.231CC..Hα-helixtrans-68.2-42.7177.3-78.1-81.137.200113.6V15 V82 I103 Y105 V134 G172 V173 K174 A179 V180V15-M176 HydrophobicContact CG1-CB 4.29Å; V15-M176 HydrophobicContact CG2-CB 4.11Å; V82-M176 HydrophobicContact CG1-CE 4.48Å; V82-M176 HydrophobicContact CG1-SD 4.43Å; I103-M176 HydrophobicContact CD1-CE 3.4Å; I103-M176 VanDerWaalsContact CD1-CE 3.4Å; I103-M176 HydrophobicContact CG1-CE 3.87Å; Y105-M176 HydrophobicContact CD2-CG 4.22Å; V134-M176 HydrophobicContact CB-CE 4.08Å; V134-M176 HydrophobicContact CG1-CE 3.25Å; V134-M176 HydrophobicContact CG1-SD 4.08Å; V134-M176 HydrophobicContact CG2-CE 3.64Å; V134-M176 HydrophobicContact CG2-CG 4.06Å; V134-M176 HydrophobicContact CG2-SD 3.77Å; G172-M176 WeakPolarHBondContact O-CG 3.22Å; G172-M176 PolarHBondContact O-N 3.26Å; V173-M176 PolarHBondContact O-N 3.3Å; K174-M176 VanDerWaalsContact C-N 3.25Å; K174-M176 PolarHBondContact O-N 3.2Å; M176-A179 HydrophobicContact CE-CB 3.77Å; M176-A179 WeakPolarHBondContact O-CB 3.23Å; M176-A179 PolarHBondContact O-N 3.13Å; M176-V180 WeakPolarHBondContact O-CG2 3.44Å; M176-V180 PolarHBondContact O-N 3.14Å
177V98.3Very high96.8Very high6 Ų648.6 Ų48.64%0.03625%0.246CC..Hα-helixtrans-65.4-41.4175.1178.50000110.7E18 L19 V173 K174 A179 V180 R181E18-V177 HydrophobicContact CB-CG2 3.59Å; L19-V177 HydrophobicContact CD2-CG2 4.41Å; V173-V177 WeakPolarHBondContact O-CG2 3.32Å; V173-V177 PolarHBondContact O-N 2.98Å; V173-V177 VanDerWaalsContact O-N 3.13Å; K174-V177 PolarHBondContact O-N 3.21Å; V177-A179 VanDerWaalsContact C-N 3.33Å; V177-A179 PolarHBondContact O-N 3.29Å; V177-V180 PolarHBondContact O-N 3Å; V177-R181 WeakPolarHBondContact O-CG 3.39Å; V177-R181 PolarHBondContact O-N 3.28Å
178E98.5Very high97.1Very high71 Ų7148.1 Ų48.133%0.33225%0.249SC..Hα-helixtrans-57.8-44.6174.1-173.6-173.5154.100111.6L148 R150 K174 G175 V180 R181 L182L148-E178 HydrophobicContact CD2-CB 4.24Å; L148-E178 HydrophobicContact CD2-CG 4.18Å; R150-E178 IonicContact CZ-OE2 3.34Å; R150-E178 IonicContact NH2-OE1 3.16Å; R150-E178 PolarHBondContact NH2-OE1 3.49Å; R150-E178 IonicContact NH2-OE2 3.75Å; R150-E178 PolarHBondContact NH2-OE2 3.01Å; K174-E178 WeakPolarHBondContact O-CB 3.46Å; K174-E178 PolarHBondContact O-N 3.48Å; G175-E178 PolarHBondContact O-N 3.41Å; E178-V180 PolarHBondContact O-N 3.45Å; E178-R181 WeakPolarHBondContact O-CB 3.45Å; E178-R181 PolarHBondContact O-N 3.42Å; E178-L182 HydrophobicContact CG-CD1 4.43Å; E178-L182 WeakPolarHBondContact O-CG 3.33Å; E178-L182 PolarHBondContact O-N 3.35Å
179A98.6Very high97.3Very high0 Ų050.3 Ų50.30%026%0.263CS..Hα-helixtrans-59.1-47.1177.900000112I103 V134 L147 L148 G175 M176 V177 R181 L182 I183I103-A179 HydrophobicContact CD1-CB 4.11Å; V134-A179 HydrophobicContact CB-CB 4.37Å; V134-A179 HydrophobicContact CG1-CB 3.74Å; V134-A179 HydrophobicContact CG2-CB 4.49Å; L147-A179 HydrophobicContact CD1-CB 3.98Å; L147-A179 HydrophobicContact CD2-CB 3.59Å; L147-A179 HydrophobicContact CG-CB 4.43Å; L148-A179 HydrophobicContact CD2-CB 4.07Å; G175-A179 WeakPolarHBondContact O-CB 3.46Å; G175-A179 PolarHBondContact O-N 3.41Å; M176-A179 HydrophobicContact CE-CB 3.77Å; M176-A179 WeakPolarHBondContact O-CB 3.23Å; M176-A179 PolarHBondContact O-N 3.13Å; V177-A179 VanDerWaalsContact C-N 3.33Å; V177-A179 PolarHBondContact O-N 3.29Å; A179-R181 VanDerWaalsContact C-N 3.31Å; A179-R181 PolarHBondContact O-N 2.82Å; A179-L182 WeakPolarHBondContact O-CB 3.03Å; A179-L182 PolarHBondContact O-N 2.87Å; A179-I183 VanDerWaalsContact O-CG1 3.32Å; A179-I183 WeakPolarHBondContact O-CG1 3.42Å; A179-I183 PolarHBondContact O-N 3.07Å
180V98.6Very high97.5Very high0 Ų055.2 Ų55.20%028%0.28CS..Hα-helixtrans-63.6-37.3177.6-1790000111.8M1 I3 L19 H24 L80 V82 I103 M176 V177 E178 I183 T184M1-V180 HydrophobicContact CE-CG1 3.5Å; I3-V180 HydrophobicContact CD1-CG1 3.7Å; L19-V180 HydrophobicContact CD2-CB 3.83Å; L19-V180 HydrophobicContact CD2-CG1 4.01Å; L19-V180 HydrophobicContact CD2-CG2 3.66Å; H24-V180 VanDerWaalsContact NE2-CG1 3.31Å; H24-V180 WeakPolarHBondContact NE2-CG1 3.43Å; L80-V180 HydrophobicContact CD2-CB 4.47Å; L80-V180 HydrophobicContact CD2-CG1 3.95Å; L80-V180 HydrophobicContact CD2-CG2 3.99Å; V82-V180 HydrophobicContact CG2-CG2 3.77Å; I103-V180 HydrophobicContact CD1-CG2 3.84Å; M176-V180 WeakPolarHBondContact O-CG2 3.44Å; M176-V180 PolarHBondContact O-N 3.14Å; V177-V180 PolarHBondContact O-N 3Å; E178-V180 PolarHBondContact O-N 3.45Å; V180-I183 PolarHBondContact O-N 2.77Å; V180-T184 PolarHBondContact O-N 3.22Å; V180-T184 PolarHBondContact O-OG1 2.86Å
181R98.3Very high98Very high107 Ų10757.7 Ų57.740%0.40429%0.29SS..Hα-helixtrans-62.3-41.6173.6-73.1169.6173.7164.51.3112.2D22 V177 E178 A179 I183 T184 K185D22-R181 VanDerWaalsContact CG-NE 3.3Å; D22-R181 IonicContact OD1-CZ 3.25Å; D22-R181 IonicContact OD1-NE 3.39Å; D22-R181 PolarHBondContact OD1-NE 3.32Å; D22-R181 VanDerWaalsContact OD1-NE 3.13Å; D22-R181 IonicContact OD1-NH2 3.45Å; D22-R181 PolarHBondContact OD1-NH2 3.22Å; D22-R181 WeakPolarHBondContact OD2-CG 3.47Å; D22-R181 IonicContact OD2-CZ 2.74Å; D22-R181 IonicContact OD2-NE 2.67Å; D22-R181 PolarHBondContact OD2-NE 3.04Å; D22-R181 IonicContact OD2-NH2 3.64Å; V177-R181 WeakPolarHBondContact O-CG 3.39Å; V177-R181 PolarHBondContact O-N 3.28Å; E178-R181 WeakPolarHBondContact O-CB 3.45Å; E178-R181 PolarHBondContact O-N 3.42Å; A179-R181 VanDerWaalsContact C-N 3.31Å; A179-R181 PolarHBondContact O-N 2.82Å; R181-I183 VanDerWaalsContact C-N 3.33Å; R181-T184 PolarHBondContact O-N 3.27Å; R181-K185 WeakPolarHBondContact O-CG 3.43Å; R181-K185 PolarHBondContact O-N 3.1Å; R181-K185 VanDerWaalsContact O-N 3.1Å
182L98.5Very high98.1Very high45 Ų4560.3 Ų60.324%0.23631%0.31CS..Hα-helixtrans-63.8-40.2176.2-71.2170.7000111.4L147 L148 E178 A179 K185 G186 K187 A188L147-L182 HydrophobicContact CD2-CD1 4.04Å; L148-L182 HydrophobicContact CD2-CD1 4.42Å; E178-L182 HydrophobicContact CG-CD1 4.43Å; E178-L182 WeakPolarHBondContact O-CG 3.33Å; E178-L182 PolarHBondContact O-N 3.35Å; A179-L182 WeakPolarHBondContact O-CB 3.03Å; A179-L182 PolarHBondContact O-N 2.87Å; L182-K185 PolarHBondContact O-N 3.37Å; L182-G186 PolarHBondContact O-N 3.19Å; L182-K187 HydrophobicContact CD2-CB 4.36Å; L182-K187 PolarHBondContact O-N 2.78Å; L182-A188 HydrophobicContact CB-CB 4.01Å; L182-A188 PolarHBondContact O-N 3.41Å
183I98.3Very high98.1Very high12 Ų1260.7 Ų60.76%0.06231%0.312CS..Hα-helixtrans-63.4-48.1176.2-64.6171.6000110.4M1 L80 H100 I103 W136 L147 A179 V180 R181 K185 G186 A188M1-I183 HydrophobicContact CE-CG2 4.23Å; M1-I183 HydrophobicContact SD-CG2 4.22Å; L80-I183 HydrophobicContact CD1-CD1 3.81Å; L80-I183 HydrophobicContact CD2-CD1 4.04Å; H100-I183 HydrophobicContact CB-CG2 4.04Å; I103-I183 HydrophobicContact CD1-CD1 3.83Å; I103-I183 HydrophobicContact CG2-CD1 3.83Å; W136-I183 HydrophobicContact CH2-CD1 3.57Å; W136-I183 HydrophobicContact CH2-CG1 3.64Å; W136-I183 HydrophobicContact CZ2-CD1 4.29Å; W136-I183 HydrophobicContact CZ2-CG1 4.12Å; W136-I183 HydrophobicContact CZ3-CD1 3.94Å; W136-I183 HydrophobicContact CZ3-CG1 4.48Å; L147-I183 HydrophobicContact CD1-CD1 3.96Å; L147-I183 HydrophobicContact CD1-CG1 4.1Å; A179-I183 VanDerWaalsContact O-CG1 3.32Å; A179-I183 WeakPolarHBondContact O-CG1 3.42Å; A179-I183 PolarHBondContact O-N 3.07Å; V180-I183 PolarHBondContact O-N 2.77Å; R181-I183 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.25Å; I183-G186 PolarHBondContact O-N 3.36Å; I183-A188 HydrophobicContact CB-CB 4.35Å; I183-A188 HydrophobicContact CG1-CB 3.54Å
184T96.5Very high98Very high73 Ų7363.3 Ų63.345%0.44833%0.329SS..Hα-helixtrans-57-36.2178.4-53.20000111.9M1 V180 R181 G186M1-T184 WeakPolarHBondContact CE-OG1 3.29Å; V180-T184 PolarHBondContact O-N 3.22Å; V180-T184 PolarHBondContact O-OG1 2.86Å; R181-T184 PolarHBondContact O-N 3.27Å; T184-G186 VanDerWaalsContact C-N 3.31Å
185K97.1Very high97.8Very high151 Ų15165.1 Ų65.166%0.65734%0.339SS*.THydrogen-bonded Turntrans-82.7-3178.9-69.2173.8-177.8176.90113.8R181 L182 I183 K187R181-K185 WeakPolarHBondContact O-CG 3.43Å; R181-K185 PolarHBondContact O-N 3.1Å; R181-K185 VanDerWaalsContact O-N 3.1Å; L182-K185 PolarHBondContact O-N 3.37Å; I183-K185 PolarHBondContact O-N 3.25Å; K185-K187 VanDerWaalsContact C-N 3.26Å; K185-K187 HydrophobicContact CB-CG 4.36Å; K185-K187 PolarHBondContact O-N 2.84Å
186G97.1Very high97.7Very high71 Ų7173.4 Ų73.473%0.73238%0.378SS*.THydrogen-bonded Turntrans65.826-174.200000113.8L182 I183 T184L182-G186 PolarHBondContact O-N 3.19Å; I183-G186 PolarHBondContact O-N 3.36Å; T184-G186 VanDerWaalsContact C-N 3.31Å
187K97.8Very high97.4Very high156 Ų15675.5 Ų75.568%0.67840%0.4SS*.  trans-118.17.4-175.9-67.1-172.9178.3-172.70113.7L182 K185 P189L182-K187 HydrophobicContact CD2-CB 4.36Å; L182-K187 PolarHBondContact O-N 2.78Å; K185-K187 VanDerWaalsContact C-N 3.26Å; K185-K187 HydrophobicContact CB-CG 4.36Å; K185-K187 PolarHBondContact O-N 2.84Å; K187-P189 WeakPolarHBondContact O-CD 3.42Å
188A97.9Very high97.4Very high25 Ų2577 Ų7721%0.20741%0.413CS..  trans-69.3121.5179.700000110.6W136 L147 L182 I183W136-A188 HydrophobicContact CH2-CB 4.39Å; W136-A188 HydrophobicContact CZ2-CB 3.73Å; L147-A188 HydrophobicContact CD1-CB 4.05Å; L147-A188 HydrophobicContact CG-CB 4.18Å; L182-A188 HydrophobicContact CB-CB 4.01Å; L182-A188 PolarHBondContact O-N 3.41Å; I183-A188 HydrophobicContact CB-CB 4.35Å; I183-A188 HydrophobicContact CG1-CB 3.54Å
189P98Very high97.4Very high49 Ų4975.8 Ų75.832%0.31841%0.41SS..  trans-75.1161.7-179.935.1-38.1000110.8W136 L147 K187 I191W136-P189 PolarHBondContact NE1-O 2.93Å; L147-P189 WeakPolarHBondContact O-CG 3.38Å; K187-P189 WeakPolarHBondContact O-CD 3.42Å; P189-I191 HydrophobicContact CB-CD1 4.41Å; P189-I191 HydrophobicContact CB-CG1 4.2Å
190R98.4Very high97.2Very high153 Ų15382.8 Ų82.858%0.57744%0.438SS*.  trans-130.887.1174.1-78.3177.2173.5-112-3.8107.9W136 P145W136-R190 HydrophobicContact CD2-CG 4.43Å; W136-R190 HydrophobicContact CG-CG 4.24Å; W136-R190 HydrophobicContact CZ2-CG 4.41Å; W136-R190 VanDerWaalsContact NE1-CG 3.28Å; P145-R190 HydrophobicContact CB-CB 4.21Å
191I98.4Very high97.1Very high95 Ų9583.8 Ų83.849%0.48744%0.442SS..BIsolated β-bridgetrans-97.1110-175.3-55.1171000108.1P145 I146 P189 Q193P145-I191 CarbonylContact C-O 3.58Å; P145-I191 VanDerWaalsContact CA-O 3.29Å; P145-I191 WeakPolarHBondContact CA-O 3.41Å; I146-I191 HydrophobicContact CB-CB 4.27Å; I146-I191 PolarHBondContact N-O 3.38Å; I146-I191 PolarHBondContact O-N 2.92Å; P189-I191 HydrophobicContact CB-CD1 4.41Å; P189-I191 HydrophobicContact CB-CG1 4.2Å; I191-Q193 PolarHBondContact O-N 2.8Å
192T98.1Very high96.8Very high116 Ų11681.7 Ų81.771%0.71244%0.443SS*.PPolyproline II helixtrans-57.6130.9176.4-58.50000110.2
193Q98.2Very high96.6Very high8 Ų883.7 Ų83.74%0.03745%0.453CS..PPolyproline II helixtrans-62.1138177.4-67.2-172.229.500110.6P111 D142 T143 G144 I146 I191P111-Q193 HydrophobicContact CB-CB 4.38Å; D142-Q193 PolarHBondContact O-NE2 3.02Å; D142-Q193 PolarHBondContact O-OE1 2.74Å; T143-Q193 VanDerWaalsContact C-NE2 3.3Å; T143-Q193 PolarHBondContact O-NE2 3.47Å; G144-Q193 PolarHBondContact O-NE2 3.21Å; I146-Q193 HydrophobicContact CD1-CG 4.02Å; I146-Q193 HydrophobicContact CG1-CG 3.79Å; I191-Q193 PolarHBondContact O-N 2.8Å
194P96.1Very high96.5Very high69 Ų6983.8 Ų83.845%0.44845%0.453SS..PPolyproline II helixtrans-65.5154.2170.927.3-31.6000110.8P111P111-P194 HydrophobicContact CG-CG 4Å; P111-P194 WeakPolarHBondContact CG-O 3.42Å
195Q93.7Very high96.3Very high158 Ų15885.9 Ų85.974%0.73846%0.456SS*.SBendtrans-80.5-30.6171.3-64.3-61-32.500111.6A198Q195-A198 WeakPolarHBondContact O-CB 3.44Å; Q195-A198 PolarHBondContact O-N 2.77Å
196E96.2Very high96.1Very high176 Ų17682.1 Ų82.182%0.82244%0.44SS*.THydrogen-bonded Turntrans-65.7133.9175.8-172.6175.6-174.100110.8A198E196-A198 PolarHBondContact O-N 3.21Å
197G93.1Very high95.9Very high45 Ų4585.1 Ų85.146%0.46444%0.439SS..THydrogen-bonded Turntrans76.33.4-179.100000115.1T199G197-T199 PolarHBondContact O-N 2.97Å
198A97.3Very high95.8Very high37 Ų3780.5 Ų80.531%0.30642%0.422SS..  trans-68.3126.1176.300000111.5P111 Q195 E196P111-A198 HydrophobicContact CB-CB 3.74Å; P111-A198 HydrophobicContact CG-CB 4.12Å; P111-A198 WeakPolarHBondContact O-CA 3.39Å; Q195-A198 WeakPolarHBondContact O-CB 3.44Å; Q195-A198 PolarHBondContact O-N 2.77Å; E196-A198 PolarHBondContact O-N 3.21Å
199T98.1Very high95.7Very high45 Ų4579.3 Ų79.328%0.27641%0.412SS..  trans-135.315817670.70000110.8P111 H113 R114 G197 E201P111-T199 PolarHBondContact O-N 3.24Å; H113-T199 PolarHBondContact N-OG1 3.27Å; H113-T199 PolarHBondContact ND1-OG1 3.31Å; R114-T199 WeakPolarHBondContact CB-O 3.26Å; R114-T199 PolarHBondContact N-O 3.35Å; G197-T199 PolarHBondContact O-N 2.97Å; T199-E201 WeakPolarHBondContact CB-OE1 3.24Å; T199-E201 PolarHBondContact OG1-OE1 3.41Å
200Y96.5Very high95.7Very high148 Ų14881.5 Ų81.558%0.5842%0.416SS*.BIsolated β-bridgetrans-140136.3175.4167.7-99.6000108.7R114 L141R114-Y200 HydrophobicContact CB-CD2 4.33Å; R114-Y200 WeakPolarHBondContact O-CD2 3.41Å; L141-Y200 HydrophobicContact CD2-CD2 3.87Å; L141-Y200 HydrophobicContact CD2-CE2 3.32Å
201E95.8Very high95.7Very high21 Ų2174.5 Ų74.510%0.09839%0.391CS..  trans-133.1160.7178.5-51.681.5-162.600111.9H113 R114 W121 T199H113-E201 WeakPolarHBondContact CA-OE2 3.39Å; H113-E201 WeakPolarHBondContact CB-OE2 3.23Å; H113-E201 IonicContact CE1-OE1 2.81Å; H113-E201 IonicContact CG-OE1 3.26Å; H113-E201 IonicContact CG-OE2 2.68Å; H113-E201 VanDerWaalsContact ND1-CD 3.26Å; H113-E201 IonicContact ND1-OE1 3.4Å; H113-E201 PolarHBondContact ND1-OE1 2.95Å; H113-E201 IonicContact ND1-OE2 2.8Å; H113-E201 PolarHBondContact ND1-OE2 3.06Å; R114-E201 PolarHBondContact O-N 2.84Å; W121-E201 HydrophobicContact CB-CB 4.48Å; W121-E201 HydrophobicContact CB-CG 4.15Å; W121-E201 VanDerWaalsContact CD1-CB 3.4Å; W121-E201 HydrophobicContact CD2-CB 3.56Å; W121-E201 HydrophobicContact CD2-CG 3.75Å; W121-E201 VanDerWaalsContact CE2-CB 3.41Å; W121-E201 HydrophobicContact CE3-CB 4.31Å; W121-E201 HydrophobicContact CE3-CG 4.16Å; W121-E201 HydrophobicContact CG-CB 3.59Å; W121-E201 HydrophobicContact CG-CG 3.71Å; W121-E201 HydrophobicContact CZ2-CB 4.06Å; W121-E201 VanDerWaalsContact NE1-CB 3.29Å; T199-E201 WeakPolarHBondContact CB-OE1 3.24Å; T199-E201 PolarHBondContact OG1-OE1 3.41Å
202C91.9Very high95.6Very high62 Ų6274.4 Ų74.442%0.41939%0.391SS..PPolyproline II helixtrans-74.8164.6-178.767.80000111.9W121W121-C202 PolarHBondContact NE1-O 3.38Å
203I94.1Very high95.5Very high87 Ų8769.5 Ų69.545%0.44636%0.359SS..PPolyproline II helixtrans-67.6136173-171.5169.2000110.5A116 K205 N208A116-I203 HydrophobicContact CB-CD1 4.31Å; A116-I203 HydrophobicContact CB-CG1 4.3Å; I203-K205 HydrophobicContact CG2-CD 4.24Å; I203-K205 HydrophobicContact CG2-CG 4.26Å; I203-N208 PolarHBondContact O-ND2 2.98Å
204Q95.4Very high95.4Very high14 Ų1474.6 Ų74.67%0.06539%0.387CS..PPolyproline II helixtrans-86.5121.9177.8-158.761.1-3.600110.7S117 N120 N208 N227 P231S117-Q204 PolarHBondContact OG-N 2.91Å; N120-Q204 HydrophobicContact CB-CB 4.32Å; N120-Q204 HydrophobicContact CB-CG 4.46Å; Q204-N208 PolarHBondContact NE2-O 3.07Å; Q204-N208 PolarHBondContact OE1-OD1 3.36Å; Q204-N227 WeakPolarHBondContact CG-OD1 3.37Å; Q204-N227 PolarHBondContact NE2-OD1 3.35Å; Q204-P231 HydrophobicContact CG-CG 3.85Å
205K93.8Very high95.5Very high117 Ų11774.1 Ų74.151%0.50938%0.379SS..  trans-130.4166.7-175.8-68.1178.9175.6176.30109.3I203 D207 N208 S209 P231I203-K205 HydrophobicContact CG2-CD 4.24Å; I203-K205 HydrophobicContact CG2-CG 4.26Å; K205-D207 PolarHBondContact O-N 2.78Å; K205-N208 WeakPolarHBondContact CA-OD1 3.38Å; K205-N208 PolarHBondContact N-OD1 2.94Å; K205-N208 PolarHBondContact O-N 2.72Å; K205-N208 PolarHBondContact O-OD1 3.41Å; K205-S209 WeakPolarHBondContact O-CB 3.24Å; K205-S209 PolarHBondContact O-N 3.04Å; K205-S209 PolarHBondContact O-OG 2.86Å; K205-P231 WeakPolarHBondContact O-CG 3.27Å
206K91.5Very high95.6Very high72 Ų7268.5 Ų68.531%0.31336%0.357SS..G310 helixtrans-58.9-40176.3-165.867176-179.50111.6N208 S209 P231 G232 W234 T243K206-N208 VanDerWaalsContact C-N 3.29Å; K206-N208 PolarHBondContact O-N 2.9Å; K206-S209 PolarHBondContact O-N 3.45Å; K206-S209 PolarHBondContact O-OG 3.02Å; K206-S209 VanDerWaalsContact O-OG 3.07Å; K206-P231 VanDerWaalsContact CD-O 3.31Å; K206-P231 WeakPolarHBondContact CD-O 3.45Å; K206-P231 PolarHBondContact NZ-O 2.85Å; K206-G232 PolarHBondContact NZ-O 2.94Å; K206-W234 PolarHBondContact O-NE1 2.77Å; K206-T243 VanDerWaalsContact NZ-CG2 3.29Å; K206-T243 PolarHBondContact NZ-OG1 2.83Å
207D93.1Very high95.6Very high135 Ų13560.1 Ų60.172%0.72232%0.318SS*.G310 helixtrans-65-29.4-175.7-58.9-20.8000113.8K205K205-D207 PolarHBondContact O-N 2.78Å
208N95.3Very high95.8Very high58 Ų5862.9 Ų62.931%0.3132%0.319SS..G310 helixtrans-107.315.1178.770.2-9.1000113.5I203 Q204 K205 K206 W223I203-N208 PolarHBondContact O-ND2 2.98Å; Q204-N208 PolarHBondContact NE2-O 3.07Å; Q204-N208 PolarHBondContact OE1-OD1 3.36Å; K205-N208 WeakPolarHBondContact CA-OD1 3.38Å; K205-N208 PolarHBondContact N-OD1 2.94Å; K205-N208 PolarHBondContact O-N 2.72Å; K205-N208 PolarHBondContact O-OD1 3.41Å; K206-N208 VanDerWaalsContact C-N 3.29Å; K206-N208 PolarHBondContact O-N 2.9Å; N208-W223 WeakPolarHBondContact O-CZ2 3.29Å
209S96.4Very high95.9Very high0 Ų062.2 Ų62.20%031%0.313CS..  trans-101.416.4173.269.70000113.7K205 K206 I211 W223 N227 G232 A233 W234K205-S209 WeakPolarHBondContact O-CB 3.24Å; K205-S209 PolarHBondContact O-N 3.04Å; K205-S209 PolarHBondContact O-OG 2.86Å; K206-S209 PolarHBondContact O-N 3.45Å; K206-S209 PolarHBondContact O-OG 3.02Å; K206-S209 VanDerWaalsContact O-OG 3.07Å; S209-I211 PolarHBondContact O-N 3.34Å; S209-W223 PolarHBondContact O-NE1 3.42Å; S209-N227 WeakPolarHBondContact CB-OD1 3.4Å; S209-G232 PolarHBondContact OG-O 3.03Å; S209-A233 VanDerWaalsContact O-CA 3.29Å; S209-A233 WeakPolarHBondContact O-CA 3.49Å; S209-W234 PolarHBondContact O-N 3.36Å; S209-W234 VanDerWaalsContact O-N 3.09Å
210K97.9Very high95.9Very high95 Ų9560.1 Ų60.141%0.41330%0.3SS..BIsolated β-bridgetrans-61.6133.7172.2-166.6173.5-175.7161.10109.5D212 W223 W234 E236K210-D212 PolarHBondContact O-N 3.27Å; K210-W223 PolarHBondContact O-NE1 3.18Å; K210-W234 CarbonylContact C-O 3.55Å; K210-W234 WeakPolarHBondContact CA-O 3.48Å; K210-W234 HydrophobicContact CB-CD2 4.3Å; K210-W234 HydrophobicContact CB-CH2 4.07Å; K210-W234 HydrophobicContact CB-CZ2 3.61Å; K210-W234 HydrophobicContact CD-CH2 3.48Å; K210-W234 VanDerWaalsContact CD-CH2 3.48Å; K210-W234 HydrophobicContact CD-CZ2 3.95Å; K210-W234 HydrophobicContact CD-CZ3 3.84Å; K210-W234 HydrophobicContact CG-CD2 4.28Å; K210-W234 HydrophobicContact CG-CE3 4.17Å; K210-W234 HydrophobicContact CG-CH2 3.75Å; K210-W234 HydrophobicContact CG-CZ2 3.84Å; K210-W234 HydrophobicContact CG-CZ3 3.9Å; K210-E236 IonicContact NZ-OE1 2.89Å; K210-E236 PolarHBondContact NZ-OE1 3.16Å
211I98.1Very high96Very high7 Ų753.1 Ų53.14%0.03627%0.273CS..  trans-70.8124.6176.9-61.7167.2000108.4S209 W213 I220 I224 A233 W234 A235 F244S209-I211 PolarHBondContact O-N 3.34Å; I211-W213 HydrophobicContact CB-CZ2 4.17Å; I211-W213 HydrophobicContact CD1-CH2 3.99Å; I211-W213 HydrophobicContact CD1-CZ2 4.01Å; I211-W213 HydrophobicContact CG2-CD2 3.69Å; I211-W213 HydrophobicContact CG2-CE3 3.81Å; I211-W213 HydrophobicContact CG2-CG 4.29Å; I211-W213 HydrophobicContact CG2-CH2 4.05Å; I211-W213 HydrophobicContact CG2-CZ2 3.94Å; I211-W213 HydrophobicContact CG2-CZ3 3.98Å; I211-I220 HydrophobicContact CG2-CG2 4.17Å; I211-I224 HydrophobicContact CD1-CD1 4.38Å; I211-I224 HydrophobicContact CD1-CG1 4.15Å; I211-A233 HydrophobicContact CD1-CB 4.32Å; I211-A233 HydrophobicContact CG1-CB 4.02Å; I211-W234 PolarHBondContact N-O 2.66Å; I211-A235 HydrophobicContact CD1-CB 4.47Å; I211-F244 HydrophobicContact CD1-CB 4.43Å; I211-F244 HydrophobicContact CD1-CD2 3.61Å; I211-F244 HydrophobicContact CD1-CE2 3.98Å; I211-F244 HydrophobicContact CD1-CG 3.98Å
212D97.4Very high96.1Very high93 Ų9352.8 Ų52.850%0.49727%0.271SS..  trans-90.2109.3163-179.45000108.7K210 N214 Q215K210-D212 PolarHBondContact O-N 3.27Å; D212-N214 VanDerWaalsContact C-N 3.29Å; D212-N214 PolarHBondContact O-N 3.32Å; D212-N214 PolarHBondContact OD1-N 3.49Å; D212-Q215 PolarHBondContact O-NE2 2.88Å
213W96.7Very high96.4Very high12 Ų1251.7 Ų51.75%0.04526%0.259CS..  trans-76.5-13-176.8-61111.2000113.9I211 Q215 I220 A235 F244 I263 G265 A266 L279I211-W213 HydrophobicContact CB-CZ2 4.17Å; I211-W213 HydrophobicContact CD1-CH2 3.99Å; I211-W213 HydrophobicContact CD1-CZ2 4.01Å; I211-W213 HydrophobicContact CG2-CD2 3.69Å; I211-W213 HydrophobicContact CG2-CE3 3.81Å; I211-W213 HydrophobicContact CG2-CG 4.29Å; I211-W213 HydrophobicContact CG2-CH2 4.05Å; I211-W213 HydrophobicContact CG2-CZ2 3.94Å; I211-W213 HydrophobicContact CG2-CZ3 3.98Å; W213-Q215 PolarHBondContact O-N 3.13Å; W213-I220 HydrophobicContact CE3-CD1 4.14Å; W213-I220 HydrophobicContact CE3-CG2 4.48Å; W213-I220 HydrophobicContact CZ3-CG2 4.14Å; W213-A235 HydrophobicContact CZ2-CB 3.54Å; W213-F244 HydrophobicContact CH2-CE1 4.27Å; W213-F244 HydrophobicContact CH2-CZ 4.29Å; W213-F244 HydrophobicContact CZ2-CZ 4.25Å; W213-I263 HydrophobicContact CD2-CG2 4.33Å; W213-I263 VanDerWaalsContact CE2-CG2 3.49Å; W213-I263 HydrophobicContact CH2-CD1 4.36Å; W213-I263 HydrophobicContact CH2-CG2 4.19Å; W213-I263 HydrophobicContact CZ2-CG2 3.42Å; W213-I263 VanDerWaalsContact CZ2-CG2 3.42Å; W213-G265 WeakPolarHBondContact CB-O 3.26Å; W213-A266 HydrophobicContact CB-CB 4.28Å; W213-A266 HydrophobicContact CD2-CB 4.13Å; W213-A266 HydrophobicContact CE3-CB 4.35Å; W213-A266 HydrophobicContact CG-CB 4.09Å; W213-L279 HydrophobicContact CH2-CD1 3.83Å; W213-L279 HydrophobicContact CH2-CD2 3.93Å; W213-L279 HydrophobicContact CH2-CG 4.43Å; W213-L279 HydrophobicContact CZ3-CB 4.26Å; W213-L279 HydrophobicContact CZ3-CD1 3.86Å; W213-L279 HydrophobicContact CZ3-CD2 4.03Å; W213-L279 HydrophobicContact CZ3-CG 4.28Å
214N96.1Very high96.6Very high115 Ų11547.6 Ų47.662%0.61524%0.237SC*.SBendtrans-82.250.5176.3-171.929000111.6D212 N282D212-N214 VanDerWaalsContact C-N 3.29Å; D212-N214 PolarHBondContact O-N 3.32Å; D212-N214 PolarHBondContact OD1-N 3.49Å; N214-N282 VanDerWaalsContact C-ND2 3.29Å; N214-N282 PolarHBondContact O-ND2 3.39Å; N214-N282 PolarHBondContact OD1-ND2 2.85Å; N214-N282 VanDerWaalsContact OD1-ND2 3.08Å
215Q97Very high96.7Very high60 Ų6047.2 Ų47.228%0.2824%0.236SC..SBendtrans-138.1164.8-177.8-67.2-168.687.800110.9D212 W213 A219 I220 G281 N282D212-Q215 PolarHBondContact O-NE2 2.88Å; W213-Q215 PolarHBondContact O-N 3.13Å; Q215-A219 HydrophobicContact CB-CB 3.97Å; Q215-I220 HydrophobicContact CB-CG1 4.04Å; Q215-G281 CarbonylContact O-C 3.53Å; Q215-G281 VanDerWaalsContact O-CA 3.32Å; Q215-G281 WeakPolarHBondContact O-CA 3.25Å; Q215-N282 PolarHBondContact O-N 3.01Å; Q215-N282 PolarHBondContact O-OD1 2.95Å
216S96.9Very high96.9Very high39 Ų3941.7 Ų41.727%0.27321%0.211SC..  trans-64.4155.7174.1590000111.2E218 A219 I220 N282 D283S216-E218 PolarHBondContact O-N 3.35Å; S216-A219 PolarHBondContact O-N 2.94Å; S216-A219 WeakPolarHBondContact OG-CB 3.36Å; S216-A219 PolarHBondContact OG-N 3.42Å; S216-I220 WeakPolarHBondContact O-CG1 3.47Å; S216-I220 PolarHBondContact O-N 2.72Å; S216-N282 PolarHBondContact N-OD1 3.24Å; S216-D283 WeakPolarHBondContact CB-OD2 3.39Å
217A95.7Very high97.2Very high0 Ų038.2 Ų38.20%020%0.196CC..Hα-helixtrans-57.6-36178.100000112.1I220 H221 L249 D283 K285 L287A217-I220 PolarHBondContact O-N 2.8Å; A217-H221 VanDerWaalsContact O-CB 3.23Å; A217-H221 WeakPolarHBondContact O-CB 3.43Å; A217-H221 PolarHBondContact O-N 2.9Å; A217-L249 HydrophobicContact CB-CD2 4.26Å; A217-D283 PolarHBondContact N-OD1 2.94Å; A217-K285 HydrophobicContact CB-CB 3.63Å; A217-K285 WeakPolarHBondContact CB-O 3.35Å; A217-L287 HydrophobicContact CB-CD2 3.95Å
218E97.4Very high97Very high104 Ų10432.2 Ų32.249%0.48616%0.164SC..Hα-helixtrans-63.2-44.1174.7-176.9174.7-173.700112.5S216 H221 N222 L249S216-E218 PolarHBondContact O-N 3.35Å; E218-H221 PolarHBondContact O-N 3Å; E218-N222 VanDerWaalsContact O-CB 3.31Å; E218-N222 WeakPolarHBondContact O-CB 3.36Å; E218-N222 PolarHBondContact O-N 2.66Å; E218-N222 PolarHBondContact O-ND2 3.26Å; E218-L249 HydrophobicContact CB-CD1 4.31Å; E218-L249 HydrophobicContact CG-CD1 4.24Å
219A98.3Very high96.4Very high23 Ų2332.6 Ų32.619%0.1916%0.163CC..Hα-helixtrans-67-40.1177.500000112.1Q215 S216 N222 W223Q215-A219 HydrophobicContact CB-CB 3.97Å; S216-A219 PolarHBondContact O-N 2.94Å; S216-A219 WeakPolarHBondContact OG-CB 3.36Å; S216-A219 PolarHBondContact OG-N 3.42Å; A219-N222 PolarHBondContact O-N 3.42Å; A219-W223 WeakPolarHBondContact O-CB 3.37Å; A219-W223 PolarHBondContact O-N 3.05Å
220I98.4Very high95.9Very high0 Ų037.6 Ų37.60%019%0.194CC..Hα-helixtrans-63.6-45.1174.6-62.5167.9000110.4I211 W213 Q215 S216 A217 W223 I224 L287I211-I220 HydrophobicContact CG2-CG2 4.17Å; W213-I220 HydrophobicContact CE3-CD1 4.14Å; W213-I220 HydrophobicContact CE3-CG2 4.48Å; W213-I220 HydrophobicContact CZ3-CG2 4.14Å; Q215-I220 HydrophobicContact CB-CG1 4.04Å; S216-I220 WeakPolarHBondContact O-CG1 3.47Å; S216-I220 PolarHBondContact O-N 2.72Å; A217-I220 PolarHBondContact O-N 2.8Å; I220-W223 WeakPolarHBondContact O-CB 3.43Å; I220-W223 PolarHBondContact O-N 2.79Å; I220-I224 HydrophobicContact CG2-CD1 4Å; I220-I224 WeakPolarHBondContact O-CG1 3.23Å; I220-I224 PolarHBondContact O-N 3.28Å; I220-L287 HydrophobicContact CB-CD2 4.03Å; I220-L287 HydrophobicContact CG2-CD1 3.98Å; I220-L287 HydrophobicContact CG2-CD2 3.94Å
221H98.3Very high95.6Very high2 Ų234.3 Ų34.31%0.00918%0.182CC..Hα-helixtrans-58.2-49.1174.8166.168.1000112P156 N157 A217 E218 W223 I224 R225 S247 L249 L287P156-H221 PolarHBondContact O-NE2 2.96Å; N157-H221 PolarHBondContact OD1-CE1 2.97Å; A217-H221 VanDerWaalsContact O-CB 3.23Å; A217-H221 WeakPolarHBondContact O-CB 3.43Å; A217-H221 PolarHBondContact O-N 2.9Å; E218-H221 PolarHBondContact O-N 3Å; H221-W223 VanDerWaalsContact C-N 3.29Å; H221-W223 PolarHBondContact O-N 3.48Å; H221-I224 PolarHBondContact O-N 3.09Å; H221-R225 WeakPolarHBondContact NE2-CD 3.49Å; H221-R225 WeakPolarHBondContact O-CG 3.42Å; H221-R225 PolarHBondContact O-N 3.27Å; H221-S247 PolarHBondContact CE1-O 3.24Å; H221-S247 PolarHBondContact ND1-OG 2.85Å; H221-L249 HydrophobicContact CB-CD2 3.91Å; H221-L249 HydrophobicContact CB-CG 4.14Å; H221-L287 HydrophobicContact CB-CB 4.39Å; H221-L287 HydrophobicContact CB-CD1 4.25Å
222N98.6Very high95.4Very high13 Ų1334 Ų347%0.0718%0.18CC..Hα-helixtrans-59.6-39.4176.3-74-20.7000111.9L123 I124 G126 E218 A219 R225 G226L123-N222 WeakPolarHBondContact O-CB 3.26Å; I124-N222 WeakPolarHBondContact O-CB 3.46Å; G126-N222 WeakPolarHBondContact CA-ND2 3.44Å; E218-N222 VanDerWaalsContact O-CB 3.31Å; E218-N222 WeakPolarHBondContact O-CB 3.36Å; E218-N222 PolarHBondContact O-N 2.66Å; E218-N222 PolarHBondContact O-ND2 3.26Å; A219-N222 PolarHBondContact O-N 3.42Å; N222-R225 VanDerWaalsContact OD1-CZ 3.25Å; N222-R225 PolarHBondContact OD1-NE 3.49Å; N222-R225 PolarHBondContact OD1-NH2 2.95Å; N222-G226 WeakPolarHBondContact O-CA 3.48Å; N222-G226 PolarHBondContact O-N 3.25Å
223W98.7Very high95.4Very high40 Ų4029.6 Ų29.615%0.15216%0.157CC..Hα-helixtrans-62.8-47174.7-169.9-96.9000111.9W121 I124 N208 S209 K210 A219 I220 H221 N227W121-W223 HydrophobicContact CZ3-CZ3 4.42Å; I124-W223 HydrophobicContact CD1-CE3 4.31Å; I124-W223 HydrophobicContact CD1-CZ3 4.25Å; I124-W223 HydrophobicContact CG1-CE3 4.18Å; I124-W223 HydrophobicContact CG2-CE3 3.7Å; I124-W223 HydrophobicContact CG2-CZ3 3.88Å; N208-W223 WeakPolarHBondContact O-CZ2 3.29Å; S209-W223 PolarHBondContact O-NE1 3.42Å; K210-W223 PolarHBondContact O-NE1 3.18Å; A219-W223 WeakPolarHBondContact O-CB 3.37Å; A219-W223 PolarHBondContact O-N 3.05Å; I220-W223 WeakPolarHBondContact O-CB 3.43Å; I220-W223 PolarHBondContact O-N 2.79Å; H221-W223 VanDerWaalsContact C-N 3.29Å; H221-W223 PolarHBondContact O-N 3.48Å; W223-N227 PolarHBondContact O-N 3.07Å; W223-N227 PolarHBondContact O-ND2 2.77Å
224I98.3Very high95.5Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-63.3-54.8179.1-65.9166.2000110.3I211 I220 H221 G226 N227 D228 A233 F244 L279 L287 V289I211-I224 HydrophobicContact CD1-CD1 4.38Å; I211-I224 HydrophobicContact CD1-CG1 4.15Å; I220-I224 HydrophobicContact CG2-CD1 4Å; I220-I224 WeakPolarHBondContact O-CG1 3.23Å; I220-I224 PolarHBondContact O-N 3.28Å; H221-I224 PolarHBondContact O-N 3.09Å; I224-G226 VanDerWaalsContact C-N 3.3Å; I224-G226 PolarHBondContact O-N 3.44Å; I224-N227 CarbonylContact O-C 3.48Å; I224-N227 PolarHBondContact O-N 3.46Å; I224-D228 WeakPolarHBondContact O-CB 3.43Å; I224-D228 PolarHBondContact O-N 3.37Å; I224-A233 HydrophobicContact CB-CB 4.48Å; I224-A233 HydrophobicContact CG1-CB 4.17Å; I224-F244 HydrophobicContact CD1-CB 4.24Å; I224-F244 HydrophobicContact CG1-CB 4.34Å; I224-F244 HydrophobicContact CG2-CB 4.21Å; I224-F244 WeakPolarHBondContact CG2-O 3.1Å; I224-L279 HydrophobicContact CD1-CD1 4.31Å; I224-L287 HydrophobicContact CD1-CD1 3.73Å; I224-V289 HydrophobicContact CD1-CG2 3.8Å
225R97.6Very high95.5Very high7 Ų724.3 Ų24.33%0.02613%0.128CC..Hα-helixtrans-65.9-32.7-177.477.7-170.317984.2-0.2112.7L123 P156 D158 T159 V160 H221 N222 N227 D228L123-R225 HydrophobicContact CB-CG 4.46Å; L123-R225 PolarHBondContact O-NH2 3.2Å; L123-R225 VanDerWaalsContact O-NH2 3.13Å; P156-R225 WeakPolarHBondContact O-CD 3.25Å; D158-R225 WeakPolarHBondContact O-CB 3.28Å; D158-R225 WeakPolarHBondContact O-CD 3.48Å; D158-R225 VanDerWaalsContact O-CG 3.32Å; D158-R225 WeakPolarHBondContact O-CG 3.4Å; D158-R225 PolarHBondContact O-NH1 3.06Å; T159-R225 WeakPolarHBondContact CA-O 3.48Å; T159-R225 HydrophobicContact CG2-CB 4.33Å; V160-R225 PolarHBondContact N-O 3Å; H221-R225 WeakPolarHBondContact NE2-CD 3.49Å; H221-R225 WeakPolarHBondContact O-CG 3.42Å; H221-R225 PolarHBondContact O-N 3.27Å; N222-R225 VanDerWaalsContact OD1-CZ 3.25Å; N222-R225 PolarHBondContact OD1-NE 3.49Å; N222-R225 PolarHBondContact OD1-NH2 2.95Å; R225-N227 PolarHBondContact O-N 2.93Å; R225-D228 PolarHBondContact O-N 3.36Å
226G97.8Very high95.4Very high0 Ų025.4 Ų25.40%013%0.133CC..Hα-helixtrans-73-8.617500000114.4N120 V160 N222 I224N120-G226 VanDerWaalsContact CA-O 3.31Å; N120-G226 WeakPolarHBondContact CA-O 3.46Å; N120-G226 VanDerWaalsContact CB-O 3.26Å; N120-G226 WeakPolarHBondContact CB-O 3.28Å; N120-G226 PolarHBondContact ND2-O 3.03Å; V160-G226 WeakPolarHBondContact CG2-O 3.31Å; N222-G226 WeakPolarHBondContact O-CA 3.48Å; N222-G226 PolarHBondContact O-N 3.25Å; I224-G226 VanDerWaalsContact C-N 3.3Å; I224-G226 PolarHBondContact O-N 3.44Å
227N97.3Very high95.2Very high0 Ų023.5 Ų23.50%012%0.12CC..THydrogen-bonded Turntrans-114.34.9170.1-71.4-89000112.4Q204 S209 W223 I224 R225 K229 V230 P231 G232 A233Q204-N227 WeakPolarHBondContact CG-OD1 3.37Å; Q204-N227 PolarHBondContact NE2-OD1 3.35Å; S209-N227 WeakPolarHBondContact CB-OD1 3.4Å; W223-N227 PolarHBondContact O-N 3.07Å; W223-N227 PolarHBondContact O-ND2 2.77Å; I224-N227 CarbonylContact O-C 3.48Å; I224-N227 PolarHBondContact O-N 3.46Å; R225-N227 PolarHBondContact O-N 2.93Å; N227-K229 CarbonylContact O-C 3.39Å; N227-V230 CarbonylContact O-C 3.59Å; N227-V230 VanDerWaalsContact O-C 3.27Å; N227-V230 PolarHBondContact O-N 3.22Å; N227-V230 VanDerWaalsContact O-N 3.11Å; N227-P231 WeakPolarHBondContact OD1-CD 3.36Å; N227-G232 WeakPolarHBondContact O-CA 3.43Å; N227-G232 PolarHBondContact O-N 3.4Å; N227-A233 HydrophobicContact CB-CB 3.96Å
228D89.9Confident94.7Very high9 Ų929.3 Ų29.35%0.04815%0.151CC..THydrogen-bonded Turntrans-94.1116.1-177.9-177.3-26.4000110.8T159 V160 N161 I224 R225 F245 G246T159-D228 VanDerWaalsContact CB-O 3.31Å; T159-D228 WeakPolarHBondContact CB-O 3.48Å; T159-D228 HydrophobicContact CG2-CB 3.86Å; V160-D228 VanDerWaalsContact CB-O 3.26Å; V160-D228 WeakPolarHBondContact CB-O 3.49Å; V160-D228 PolarHBondContact N-O 3.44Å; N161-D228 PolarHBondContact N-O 3.32Å; I224-D228 WeakPolarHBondContact O-CB 3.43Å; I224-D228 PolarHBondContact O-N 3.37Å; R225-D228 PolarHBondContact O-N 3.36Å; D228-F245 HydrophobicContact CB-CD1 4.17Å; D228-G246 PolarHBondContact OD2-N 3.03Å
229K80.9Confident94.2Very high66 Ų6628.2 Ų28.229%0.28717%0.168SC..THydrogen-bonded Turncis-92.1-18.63.9-68.2-166.2175.1-155.10114.6N227 G232 F245 Y379N227-K229 CarbonylContact O-C 3.39Å; K229-G232 PolarHBondContact O-N 3.08Å; K229-F245 HydrophobicContact CB-CE1 4.31Å; K229-F245 WeakPolarHBondContact O-CE1 3.17Å; K229-Y379 VanDerWaalsContact NZ-CD2 3.34Å; K229-Y379 VanDerWaalsContact NZ-CE2 3.34Å
230V86.4Confident93.9Very high105 Ų10530.4 Ų30.464%0.63617%0.174SC*.THydrogen-bonded Turntrans-117.9128.6-171-1780000110N120 N227N120-V230 PolarHBondContact ND2-O 3.22Å; N227-V230 CarbonylContact O-C 3.59Å; N227-V230 VanDerWaalsContact O-C 3.27Å; N227-V230 PolarHBondContact O-N 3.22Å; N227-V230 VanDerWaalsContact O-N 3.11Å
231P91.8Very high93.7Very high26 Ų2634.2 Ų34.217%0.16919%0.191CC..THydrogen-bonded Turncis-83.8-1.90.634.7-38.5000115.3Q204 K205 K206 N227Q204-P231 HydrophobicContact CG-CG 3.85Å; K205-P231 WeakPolarHBondContact O-CG 3.27Å; K206-P231 VanDerWaalsContact CD-O 3.31Å; K206-P231 WeakPolarHBondContact CD-O 3.45Å; K206-P231 PolarHBondContact NZ-O 2.85Å; N227-P231 WeakPolarHBondContact OD1-CD 3.36Å
232G94.4Very high93.6Very high0 Ų034.1 Ų34.10%019%0.19CC..  trans86.6114-17500000112.2K206 S209 N227 K229 T243K206-G232 PolarHBondContact NZ-O 2.94Å; S209-G232 PolarHBondContact OG-O 3.03Å; N227-G232 WeakPolarHBondContact O-CA 3.43Å; N227-G232 PolarHBondContact O-N 3.4Å; K229-G232 PolarHBondContact O-N 3.08Å; G232-T243 VanDerWaalsContact CA-CG2 3.47Å
233A97.7Very high93.5Very high0 Ų033.8 Ų33.80%019%0.189CC..  trans-67.3136.7174.900000110.5S209 I211 I224 N227 T243 F244S209-A233 VanDerWaalsContact O-CA 3.29Å; S209-A233 WeakPolarHBondContact O-CA 3.49Å; I211-A233 HydrophobicContact CD1-CB 4.32Å; I211-A233 HydrophobicContact CG1-CB 4.02Å; I224-A233 HydrophobicContact CB-CB 4.48Å; I224-A233 HydrophobicContact CG1-CB 4.17Å; N227-A233 HydrophobicContact CB-CB 3.96Å; A233-T243 CarbonylContact O-C 3.56Å; A233-T243 VanDerWaalsContact O-CA 3.26Å; A233-T243 WeakPolarHBondContact O-CA 3.49Å; A233-T243 VanDerWaalsContact O-CG2 3.24Å; A233-T243 WeakPolarHBondContact O-CG2 3.26Å; A233-F244 PolarHBondContact O-N 3.15Å
234W97.7Very high93.4Very high16 Ų1631.9 Ų31.96%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-137.7158.2-173.568.1-88.2000113.9K206 S209 K210 I211 E236 K241 V242K206-W234 PolarHBondContact O-NE1 2.77Å; S209-W234 PolarHBondContact O-N 3.36Å; S209-W234 VanDerWaalsContact O-N 3.09Å; K210-W234 CarbonylContact C-O 3.55Å; K210-W234 WeakPolarHBondContact CA-O 3.48Å; K210-W234 HydrophobicContact CB-CD2 4.3Å; K210-W234 HydrophobicContact CB-CH2 4.07Å; K210-W234 HydrophobicContact CB-CZ2 3.61Å; K210-W234 HydrophobicContact CD-CH2 3.48Å; K210-W234 VanDerWaalsContact CD-CH2 3.48Å; K210-W234 HydrophobicContact CD-CZ2 3.95Å; K210-W234 HydrophobicContact CD-CZ3 3.84Å; K210-W234 HydrophobicContact CG-CD2 4.28Å; K210-W234 HydrophobicContact CG-CE3 4.17Å; K210-W234 HydrophobicContact CG-CH2 3.75Å; K210-W234 HydrophobicContact CG-CZ2 3.84Å; K210-W234 HydrophobicContact CG-CZ3 3.9Å; I211-W234 PolarHBondContact N-O 2.66Å; W234-E236 HydrophobicContact CZ3-CG 4.2Å; W234-K241 HydrophobicContact CD2-CD 4.32Å; W234-K241 HydrophobicContact CD2-CG 4.46Å; W234-K241 HydrophobicContact CE3-CB 4.05Å; W234-K241 HydrophobicContact CE3-CD 3.99Å; W234-K241 HydrophobicContact CE3-CG 3.73Å; W234-K241 HydrophobicContact CH2-CD 4.16Å; W234-K241 HydrophobicContact CH2-CG 4.44Å; W234-K241 HydrophobicContact CZ2-CD 4.48Å; W234-K241 HydrophobicContact CZ3-CD 3.92Å; W234-K241 HydrophobicContact CZ3-CG 3.73Å; W234-V242 CarbonylContact C-O 3.59Å; W234-V242 WeakPolarHBondContact CA-O 3.41Å; W234-V242 VanDerWaalsContact CB-O 3.25Å; W234-V242 WeakPolarHBondContact CB-O 3.29Å
235A97.1Very high93.1Very high1 Ų132.5 Ų32.51%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-142.5168.5168.900000109.6I211 W213 V242 F244I211-A235 HydrophobicContact CD1-CB 4.47Å; W213-A235 HydrophobicContact CZ2-CB 3.54Å; A235-V242 PolarHBondContact N-O 2.92Å; A235-V242 PolarHBondContact O-N 3Å; A235-F244 HydrophobicContact CB-CE2 3.74Å; A235-F244 HydrophobicContact CB-CZ 4.12Å
236E94.8Very high92.7Very high82 Ų8233.2 Ų33.238%0.38319%0.194SC..EExtended strand (participates in β ladder)trans-85127.5173-77.5155.2-130.700109.2K210 W234 Q240 P264K210-E236 IonicContact NZ-OE1 2.89Å; K210-E236 PolarHBondContact NZ-OE1 3.16Å; W234-E236 HydrophobicContact CZ3-CG 4.2Å; E236-Q240 CarbonylContact C-O 3.59Å; E236-Q240 VanDerWaalsContact CA-O 3.32Å; E236-Q240 WeakPolarHBondContact CA-O 3.43Å; E236-P264 WeakPolarHBondContact O-CD 3.48Å
237L91.9Very high92.6Very high0 Ų033.4 Ų33.40%020%0.195CC..EExtended strand (participates in β ladder)trans-129.2131.5171.4-57.9179.5000107.5G239 Q240 V242 F244 L261 I263 Y305L237-G239 PolarHBondContact O-N 2.81Å; L237-Q240 PolarHBondContact N-O 2.7Å; L237-Q240 WeakPolarHBondContact O-CG 3.34Å; L237-Q240 PolarHBondContact O-N 3.31Å; L237-Q240 VanDerWaalsContact O-O 3.13Å; L237-V242 HydrophobicContact CB-CB 4.4Å; L237-V242 HydrophobicContact CB-CG2 3.81Å; L237-V242 HydrophobicContact CD1-CB 3.72Å; L237-V242 HydrophobicContact CD1-CG1 3.91Å; L237-V242 HydrophobicContact CD1-CG2 3.87Å; L237-V242 HydrophobicContact CG-CB 4.06Å; L237-V242 HydrophobicContact CG-CG2 4.04Å; L237-F244 HydrophobicContact CD1-CZ 3.92Å; L237-F244 HydrophobicContact CD2-CZ 4.39Å; L237-F244 HydrophobicContact CG-CZ 4.3Å; L237-L261 HydrophobicContact CD1-CD2 4.08Å; L237-L261 HydrophobicContact CD2-CD2 4.35Å; L237-L261 HydrophobicContact CD2-CG 4.47Å; L237-I263 HydrophobicContact CD2-CB 4.2Å; L237-I263 HydrophobicContact CD2-CD1 4.14Å; L237-I263 HydrophobicContact CD2-CG1 3.64Å; L237-I263 HydrophobicContact CD2-CG2 4.01Å; L237-Y305 HydrophobicContact CD1-CE2 3.96Å
238D86.7Confident92.4Very high122 Ų12235.3 Ų35.365%0.65221%0.207SC*.THydrogen-bonded Turntrans47.335.4-179.5-60.4-39.7000114.5Y305D238-Y305 PolarHBondContact OD2-OH 3.02Å
239G86.4Confident92.3Very high81 Ų8138.3 Ų38.384%0.83522%0.223SC*.THydrogen-bonded Turntrans80.17.2178.900000116L237L237-G239 PolarHBondContact O-N 2.81Å
240Q91.6Very high92.4Very high69 Ų6937.5 Ų37.532%0.32222%0.223SC..EExtended strand (participates in β ladder)trans-123.2154176.954.5173.8-15.400112.1E236 L237 V242 F294E236-Q240 CarbonylContact C-O 3.59Å; E236-Q240 VanDerWaalsContact CA-O 3.32Å; E236-Q240 WeakPolarHBondContact CA-O 3.43Å; L237-Q240 PolarHBondContact N-O 2.7Å; L237-Q240 WeakPolarHBondContact O-CG 3.34Å; L237-Q240 PolarHBondContact O-N 3.31Å; L237-Q240 VanDerWaalsContact O-O 3.13Å; Q240-V242 HydrophobicContact CG-CG2 4.13Å; Q240-V242 PolarHBondContact O-N 3.35Å; Q240-F294 VanDerWaalsContact CD-CD1 3.48Å; Q240-F294 VanDerWaalsContact NE2-CE1 3.27Å
241K93.9Very high91.7Very high79 Ų7939.7 Ų39.734%0.34323%0.231SC..EExtended strand (participates in β ladder)trans-77.2123.4173.4-61.8178.2-177.1172.40110.6W234 E295W234-K241 HydrophobicContact CD2-CD 4.32Å; W234-K241 HydrophobicContact CD2-CG 4.46Å; W234-K241 HydrophobicContact CE3-CB 4.05Å; W234-K241 HydrophobicContact CE3-CD 3.99Å; W234-K241 HydrophobicContact CE3-CG 3.73Å; W234-K241 HydrophobicContact CH2-CD 4.16Å; W234-K241 HydrophobicContact CH2-CG 4.44Å; W234-K241 HydrophobicContact CZ2-CD 4.48Å; W234-K241 HydrophobicContact CZ3-CD 3.92Å; W234-K241 HydrophobicContact CZ3-CG 3.73Å; K241-E295 HydrophobicContact CB-CG 3.81Å; K241-E295 VanDerWaalsContact CB-OE1 3.23Å; K241-E295 WeakPolarHBondContact CB-OE1 3.5Å; K241-E295 WeakPolarHBondContact CD-OE1 3.29Å; K241-E295 WeakPolarHBondContact CG-OE1 3.45Å; K241-E295 PolarHBondContact N-OE1 3.26Å; K241-E295 WeakPolarHBondContact O-CG 3.32Å
242V95.4Very high90.1Very high0 Ų043.5 Ų43.50%025%0.25CS..EExtended strand (participates in β ladder)trans-118.2134.6176.4-174.60000109.5W234 A235 L237 Q240 F244 L292 Q293 F294W234-V242 CarbonylContact C-O 3.59Å; W234-V242 WeakPolarHBondContact CA-O 3.41Å; W234-V242 VanDerWaalsContact CB-O 3.25Å; W234-V242 WeakPolarHBondContact CB-O 3.29Å; A235-V242 PolarHBondContact N-O 2.92Å; A235-V242 PolarHBondContact O-N 3Å; L237-V242 HydrophobicContact CB-CB 4.4Å; L237-V242 HydrophobicContact CB-CG2 3.81Å; L237-V242 HydrophobicContact CD1-CB 3.72Å; L237-V242 HydrophobicContact CD1-CG1 3.91Å; L237-V242 HydrophobicContact CD1-CG2 3.87Å; L237-V242 HydrophobicContact CG-CB 4.06Å; L237-V242 HydrophobicContact CG-CG2 4.04Å; Q240-V242 HydrophobicContact CG-CG2 4.13Å; Q240-V242 PolarHBondContact O-N 3.35Å; V242-F244 WeakPolarHBondContact O-CD2 3.31Å; V242-F244 VanDerWaalsContact O-CE2 3.23Å; V242-F244 WeakPolarHBondContact O-CE2 3.18Å; V242-L292 HydrophobicContact CG1-CB 3.8Å; V242-L292 HydrophobicContact CG1-CD2 3.99Å; V242-L292 HydrophobicContact CG1-CG 4.3Å; V242-Q293 CarbonylContact C-O 3.47Å; V242-Q293 WeakPolarHBondContact CA-O 3.42Å; V242-F294 HydrophobicContact CG1-CD1 4.4Å; V242-F294 HydrophobicContact CG1-CE1 4.36Å; V242-F294 HydrophobicContact CG2-CD1 3.6Å; V242-F294 HydrophobicContact CG2-CE1 3.76Å
243T97Very high87.8Confident7 Ų747 Ų474%0.04329%0.287CS..EExtended strand (participates in β ladder)trans-100.3137.9-179.2-48.30000110.3K206 G232 A233 F245 L292 Q293K206-T243 VanDerWaalsContact NZ-CG2 3.29Å; K206-T243 PolarHBondContact NZ-OG1 2.83Å; G232-T243 VanDerWaalsContact CA-CG2 3.47Å; A233-T243 CarbonylContact O-C 3.56Å; A233-T243 VanDerWaalsContact O-CA 3.26Å; A233-T243 WeakPolarHBondContact O-CA 3.49Å; A233-T243 VanDerWaalsContact O-CG2 3.24Å; A233-T243 WeakPolarHBondContact O-CG2 3.26Å; T243-F245 HydrophobicContact CG2-CD2 4.31Å; T243-F245 HydrophobicContact CG2-CE1 3.91Å; T243-F245 HydrophobicContact CG2-CE2 3.49Å; T243-F245 VanDerWaalsContact CG2-CE2 3.49Å; T243-F245 HydrophobicContact CG2-CZ 3.27Å; T243-L292 CarbonylContact O-C 3.54Å; T243-L292 VanDerWaalsContact O-CA 3.26Å; T243-L292 WeakPolarHBondContact O-CA 3.45Å; T243-Q293 PolarHBondContact N-O 2.98Å; T243-Q293 PolarHBondContact O-N 3.34Å
244F97.3Very high85.4Confident0 Ų052.5 Ų52.50%032%0.32CS..EExtended strand (participates in β ladder)trans-108.1134.3-172.9-62.6-110.8000109.9I211 W213 I224 A233 A235 L237 V242 L277 L279 V289 L292I211-F244 HydrophobicContact CD1-CB 4.43Å; I211-F244 HydrophobicContact CD1-CD2 3.61Å; I211-F244 HydrophobicContact CD1-CE2 3.98Å; I211-F244 HydrophobicContact CD1-CG 3.98Å; W213-F244 HydrophobicContact CH2-CE1 4.27Å; W213-F244 HydrophobicContact CH2-CZ 4.29Å; W213-F244 HydrophobicContact CZ2-CZ 4.25Å; I224-F244 HydrophobicContact CD1-CB 4.24Å; I224-F244 HydrophobicContact CG1-CB 4.34Å; I224-F244 HydrophobicContact CG2-CB 4.21Å; I224-F244 WeakPolarHBondContact CG2-O 3.1Å; A233-F244 PolarHBondContact O-N 3.15Å; A235-F244 HydrophobicContact CB-CE2 3.74Å; A235-F244 HydrophobicContact CB-CZ 4.12Å; L237-F244 HydrophobicContact CD1-CZ 3.92Å; L237-F244 HydrophobicContact CD2-CZ 4.39Å; L237-F244 HydrophobicContact CG-CZ 4.3Å; V242-F244 WeakPolarHBondContact O-CD2 3.31Å; V242-F244 VanDerWaalsContact O-CE2 3.23Å; V242-F244 WeakPolarHBondContact O-CE2 3.18Å; F244-L277 HydrophobicContact CD1-CD2 4.33Å; F244-L277 HydrophobicContact CE1-CD2 3.72Å; F244-L279 HydrophobicContact CD1-CD1 4.08Å; F244-L279 HydrophobicContact CE1-CD1 4.17Å; F244-L279 HydrophobicContact CE1-CD2 4.49Å; F244-V289 HydrophobicContact CB-CG1 3.94Å; F244-V289 HydrophobicContact CB-CG2 4.38Å; F244-V289 HydrophobicContact CD1-CB 4.37Å; F244-V289 HydrophobicContact CD1-CG1 3.97Å; F244-V289 HydrophobicContact CD1-CG2 4.13Å; F244-V289 HydrophobicContact CG-CG1 4.43Å; F244-L292 HydrophobicContact CD1-CD2 3.56Å; F244-L292 HydrophobicContact CE1-CD2 3.78Å; F244-L292 HydrophobicContact CG-CD2 3.98Å; F244-L292 HydrophobicContact CZ-CD2 4.35Å
245F92.7Very high83.2Confident12 Ų1256 Ų565%0.05335%0.352CS..EExtended strand (participates in β ladder)trans-139.6154.5-178.6-60.8-71.1000112.8D228 K229 T243 V289 K290 N291 Q293 M299D228-F245 HydrophobicContact CB-CD1 4.17Å; K229-F245 HydrophobicContact CB-CE1 4.31Å; K229-F245 WeakPolarHBondContact O-CE1 3.17Å; T243-F245 HydrophobicContact CG2-CD2 4.31Å; T243-F245 HydrophobicContact CG2-CE1 3.91Å; T243-F245 HydrophobicContact CG2-CE2 3.49Å; T243-F245 VanDerWaalsContact CG2-CE2 3.49Å; T243-F245 HydrophobicContact CG2-CZ 3.27Å; F245-V289 WeakPolarHBondContact O-CG1 3.26Å; F245-K290 PolarHBondContact O-N 3.33Å; F245-N291 HydrophobicContact CB-CB 4.19Å; F245-N291 PolarHBondContact N-O 2.67Å; F245-N291 PolarHBondContact O-N 3.21Å; F245-N291 VanDerWaalsContact O-N 3.1Å; F245-Q293 HydrophobicContact CD2-CB 4.38Å; F245-Q293 HydrophobicContact CE2-CB 3.76Å; F245-M299 HydrophobicContact CD2-CE 3.77Å; F245-M299 HydrophobicContact CE2-CE 3.61Å; F245-M299 HydrophobicContact CZ-CE 4.44Å
246G88.6Confident81.5Confident22 Ų2257.2 Ų57.223%0.22736%0.363CS..EExtended strand (participates in β ladder)trans66.754.1177.200000112.6D228 K290D228-G246 PolarHBondContact OD2-N 3.03Å; G246-K290 PolarHBondContact O-N 3.32Å
247S94.8Very high80.3Confident4 Ų460.5 Ų60.53%0.02838%0.383CS..EExtended strand (participates in β ladder)trans-80.7143.2178.9-177.60000112.5H221 L287 L288H221-S247 PolarHBondContact CE1-O 3.24Å; H221-S247 PolarHBondContact ND1-OG 2.85Å; S247-L287 VanDerWaalsContact OG-CD1 3.31Å; S247-L287 WeakPolarHBondContact OG-CD1 3.26Å; S247-L288 CarbonylContact C-O 3.51Å; S247-L288 WeakPolarHBondContact CA-O 3.31Å
248T92.7Very high79.8Confident40 Ų4062.5 Ų62.525%0.24540%0.403CS..EExtended strand (participates in β ladder)trans-142.4142.8172.6-59.90000110.1L287 L288T248-L287 CarbonylContact O-C 3.48Å; T248-L287 WeakPolarHBondContact O-CA 3.49Å; T248-L288 PolarHBondContact N-O 3.35Å; T248-L288 PolarHBondContact O-N 2.76Å
249L89.4Confident79.8Confident73 Ų7362.1 Ų62.138%0.38240%0.397SS..EExtended strand (participates in β ladder)trans-73.2141.7170.7-72.1170.4000111.7A217 E218 H221 L287A217-L249 HydrophobicContact CB-CD2 4.26Å; E218-L249 HydrophobicContact CB-CD1 4.31Å; E218-L249 HydrophobicContact CG-CD1 4.24Å; H221-L249 HydrophobicContact CB-CD2 3.91Å; H221-L249 HydrophobicContact CB-CG 4.14Å; L249-L287 HydrophobicContact CD2-CB 4.21Å
250V83Confident80Confident49 Ų4962.7 Ų62.730%0.29739%0.386SS..EExtended strand (participates in β ladder)trans-122.7137.5-179.3-171.40000109.4T286 L288V250-T286 PolarHBondContact N-O 2.95Å; V250-T286 VanDerWaalsContact N-O 3.16Å; V250-T286 PolarHBondContact O-OG1 2.96Å; V250-L288 HydrophobicContact CG2-CB 3.68Å
251D70.4Confident80.1Confident151 Ų15159.6 Ų59.681%0.80737%0.372SS*.  trans-72.4134.2175.4-76.1-32.2000110.3G253D251-G253 VanDerWaalsContact C-N 3.31Å; D251-G253 PolarHBondContact O-N 3.37Å
252N57.9Low80.1Confident106 Ų10661.3 Ų61.357%0.56739%0.385SS*.THydrogen-bonded Turntrans-64.387.1177.9-78.3-0.3000110.2G284 T286N252-G284 PolarHBondContact ND2-O 2.87Å; N252-T286 PolarHBondContact OD1-N 3.29Å; N252-T286 PolarHBondContact OD1-OG1 3.23Å
253G46.3Very low80Confident74 Ų7461.5 Ų61.576%0.76339%0.386SS*.THydrogen-bonded Turntrans-151-21-179.200000115D251D251-G253 VanDerWaalsContact C-N 3.31Å; D251-G253 PolarHBondContact O-N 3.37Å
254T47.5Very low79.8Confident115 Ų11564.9 Ų64.971%0.70641%0.408SS*.  trans-105.5115.3175.624.60000109.3A256T254-A256 PolarHBondContact O-N 3.44Å
255A52.8Low79.5Confident89 Ų8968.1 Ų68.174%0.73644%0.441SS*.  trans-54.3109.1156.100000106.1N257A255-N257 VanDerWaalsContact C-N 3.33Å; A255-N257 PolarHBondContact O-N 3.46Å
256A60.1Low79.5Confident27 Ų2768.8 Ų68.822%0.22345%0.449CS..  trans-66.898.6-17900000107.2T254 G258 I271 T273 V278T254-A256 PolarHBondContact O-N 3.44Å; A256-G258 PolarHBondContact O-N 3.11Å; A256-I271 HydrophobicContact CB-CB 4.07Å; A256-I271 HydrophobicContact CB-CD1 3.86Å; A256-I271 HydrophobicContact CB-CG2 3.84Å; A256-I271 WeakPolarHBondContact O-CG2 3.19Å; A256-T273 HydrophobicContact CB-CG2 3.79Å; A256-V278 HydrophobicContact CB-CB 4.41Å; A256-V278 HydrophobicContact CB-CG2 4.1Å
257N70.5Confident79.3Confident151 Ų15170.9 Ų70.981%0.80746%0.46SS*.  trans-70.4112.4169.6-76.1-18.5000106.9A255A255-N257 VanDerWaalsContact C-N 3.33Å; A255-N257 PolarHBondContact O-N 3.46Å
258G81.5Confident79.1Confident41 Ų4175.3 Ų75.342%0.42348%0.48SS..SBendtrans-178.3176.9-174.900000112.3A256 V272A256-G258 PolarHBondContact O-N 3.11Å; G258-V272 CarbonylContact C-O 3.53Å; G258-V272 WeakPolarHBondContact CA-O 3.27Å
259Q85.9Confident79.1Confident114 Ų11476.3 Ų76.353%0.53349%0.488SS..EExtended strand (participates in β ladder)trans-88.8130.7178.6-70.4-175.7-12.800110.1V272 F306Q259-V272 PolarHBondContact N-O 3.14Å; Q259-V272 PolarHBondContact O-N 3.03Å; Q259-F306 HydrophobicContact CB-CD2 3.57Å; Q259-F306 HydrophobicContact CB-CE2 3.48Å; Q259-F306 VanDerWaalsContact CB-CE2 3.48Å; Q259-F306 HydrophobicContact CB-CZ 4.43Å; Q259-F306 HydrophobicContact CG-CD2 4.4Å
260P91.7Very high79.2Confident94 Ų9472.9 Ų72.961%0.6147%0.47SS*.EExtended strand (participates in β ladder)trans-69.2134.6178.728.4-33.6000110.7P269 G270 F306P260-P269 HydrophobicContact CB-CB 4.28Å; P260-G270 CarbonylContact C-O 3.49Å; P260-G270 WeakPolarHBondContact CA-O 3.35Å; P260-F306 WeakPolarHBondContact O-CZ 3.31Å
261L92.6Very high79.7Confident3 Ų372.2 Ų72.22%0.01646%0.464CS..EExtended strand (participates in β ladder)trans-114.4116.9174.2175.658.5000108.3L237 I263 P269 G270 V272 L277 Y305 F306L237-L261 HydrophobicContact CD1-CD2 4.08Å; L237-L261 HydrophobicContact CD2-CD2 4.35Å; L237-L261 HydrophobicContact CD2-CG 4.47Å; L261-I263 HydrophobicContact CG-CG1 4.26Å; L261-I263 PolarHBondContact O-N 2.85Å; L261-P269 CarbonylContact O-C 3.36Å; L261-P269 WeakPolarHBondContact O-CA 3.4Å; L261-P269 WeakPolarHBondContact O-CB 3.27Å; L261-G270 PolarHBondContact N-O 3.21Å; L261-G270 PolarHBondContact O-N 3.11Å; L261-V272 HydrophobicContact CB-CG2 4.09Å; L261-V272 HydrophobicContact CD2-CG2 4.19Å; L261-L277 HydrophobicContact CB-CD1 4.37Å; L261-L277 HydrophobicContact CD2-CD1 3.92Å; L261-L277 HydrophobicContact CD2-CD2 3.93Å; L261-Y305 HydrophobicContact CD1-CD1 3.89Å; L261-Y305 HydrophobicContact CD1-CE1 3.29Å; L261-Y305 HydrophobicContact CD2-CD1 4.15Å; L261-Y305 HydrophobicContact CD2-CD2 4.4Å; L261-Y305 HydrophobicContact CD2-CE1 4.13Å; L261-Y305 HydrophobicContact CD2-CE2 4.33Å; L261-Y305 HydrophobicContact CD2-CG 4.3Å; L261-Y305 HydrophobicContact CG-CE1 4.34Å; L261-F306 HydrophobicContact CB-CE2 4.41Å; L261-F306 HydrophobicContact CB-CZ 4.04Å; L261-F306 HydrophobicContact CD1-CE1 4.45Å; L261-F306 HydrophobicContact CD1-CZ 4.06Å
262D93.6Very high80.6Confident116 Ų11665.4 Ų65.462%0.6243%0.428SS*.  trans-70.8130.9176.9-169.435.5000110.3
263I94.3Very high81.9Confident3 Ų361.1 Ų61.12%0.01541%0.406CS..  trans-130.3105.3-177.8-52.9-174.3000107.9W213 L237 L261 G265 A266 L279W213-I263 HydrophobicContact CD2-CG2 4.33Å; W213-I263 VanDerWaalsContact CE2-CG2 3.49Å; W213-I263 HydrophobicContact CH2-CD1 4.36Å; W213-I263 HydrophobicContact CH2-CG2 4.19Å; W213-I263 HydrophobicContact CZ2-CG2 3.42Å; W213-I263 VanDerWaalsContact CZ2-CG2 3.42Å; L237-I263 HydrophobicContact CD2-CB 4.2Å; L237-I263 HydrophobicContact CD2-CD1 4.14Å; L237-I263 HydrophobicContact CD2-CG1 3.64Å; L237-I263 HydrophobicContact CD2-CG2 4.01Å; L261-I263 HydrophobicContact CG-CG1 4.26Å; L261-I263 PolarHBondContact O-N 2.85Å; I263-G265 PolarHBondContact O-N 2.75Å; I263-A266 HydrophobicContact CB-CB 3.93Å; I263-A266 HydrophobicContact CG2-CB 4.17Å; I263-A266 WeakPolarHBondContact O-CB 3.5Å; I263-A266 PolarHBondContact O-N 3.34Å; I263-L279 HydrophobicContact CD1-CD2 3.3Å
264P92.6Very high83.4Confident79 Ų7963.1 Ų63.151%0.51339%0.393SS..THydrogen-bonded Turntrans-52.9123.2179.9-29.635.8000113E236E236-P264 WeakPolarHBondContact O-CD 3.48Å
265G90.6Very high84.8Confident67 Ų6761.7 Ų61.769%0.69139%0.385SS*.THydrogen-bonded Turntrans90.6-10.9179.400000115W213 I263W213-G265 WeakPolarHBondContact CB-O 3.26Å; I263-G265 PolarHBondContact O-N 2.75Å
266A92.3Very high86.4Confident26 Ų2657.5 Ų57.522%0.21535%0.35CS..  trans-71.4149.1174.200000112.2W213 I263 Q268W213-A266 HydrophobicContact CB-CB 4.28Å; W213-A266 HydrophobicContact CD2-CB 4.13Å; W213-A266 HydrophobicContact CE3-CB 4.35Å; W213-A266 HydrophobicContact CG-CB 4.09Å; I263-A266 HydrophobicContact CB-CB 3.93Å; I263-A266 HydrophobicContact CG2-CB 4.17Å; I263-A266 WeakPolarHBondContact O-CB 3.5Å; I263-A266 PolarHBondContact O-N 3.34Å; A266-Q268 VanDerWaalsContact C-N 3.25Å; A266-Q268 WeakPolarHBondContact CB-O 3.15Å; A266-Q268 PolarHBondContact O-N 2.77Å
267S85.8Confident88Confident66 Ų6656.2 Ų56.246%0.46234%0.34SS..SBendtrans-66.6-30178.357.60000112.5G281S267-G281 PolarHBondContact OG-O 3.35Å
268Q89.8Confident89.1Confident97 Ų9749.7 Ų49.745%0.45331%0.305SS..SBendtrans-143.5153.5176.4-60.2-174.110.500109.1A266 F280A266-Q268 VanDerWaalsContact C-N 3.25Å; A266-Q268 WeakPolarHBondContact CB-O 3.15Å; A266-Q268 PolarHBondContact O-N 2.77Å; Q268-F280 HydrophobicContact CB-CB 4.16Å; Q268-F280 HydrophobicContact CB-CD2 3.87Å; Q268-F280 HydrophobicContact CB-CG 4.01Å
269P92.2Very high89.7Confident62 Ų6247.9 Ų47.940%0.40329%0.286SS..  trans-54.1142.2168.7-23.434000110.7P260 L261 F280P260-P269 HydrophobicContact CB-CB 4.28Å; L261-P269 CarbonylContact O-C 3.36Å; L261-P269 WeakPolarHBondContact O-CA 3.4Å; L261-P269 WeakPolarHBondContact O-CB 3.27Å; P269-F280 WeakPolarHBondContact O-CD2 3.23Å; P269-F280 WeakPolarHBondContact O-CE2 3.19Å
270G92.6Very high90.1Very high1 Ų143.8 Ų43.81%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-66.4158.9166.800000110.3P260 L261 V278P260-G270 CarbonylContact C-O 3.49Å; P260-G270 WeakPolarHBondContact CA-O 3.35Å; L261-G270 PolarHBondContact N-O 3.21Å; L261-G270 PolarHBondContact O-N 3.11Å; G270-V278 CarbonylContact C-O 3.42Å; G270-V278 WeakPolarHBondContact CA-O 3.24Å
271I92.2Very high90.2Very high34 Ų3439.3 Ų39.317%0.17424%0.238CC..EExtended strand (participates in β ladder)trans-121.3114.6177.3-58.4172.2000108.9A256 T273 V278 F280A256-I271 HydrophobicContact CB-CB 4.07Å; A256-I271 HydrophobicContact CB-CD1 3.86Å; A256-I271 HydrophobicContact CB-CG2 3.84Å; A256-I271 WeakPolarHBondContact O-CG2 3.19Å; I271-T273 HydrophobicContact CG2-CG2 3.93Å; I271-T273 PolarHBondContact O-N 2.99Å; I271-V278 HydrophobicContact CB-CB 4.36Å; I271-V278 PolarHBondContact N-O 3.44Å; I271-V278 PolarHBondContact O-N 2.97Å; I271-F280 HydrophobicContact CD1-CE2 3.98Å; I271-F280 HydrophobicContact CD1-CZ 3.81Å; I271-F280 HydrophobicContact CG1-CE2 4.1Å; I271-F280 HydrophobicContact CG1-CZ 4.42Å
272V90Very high90.2Very high9 Ų943.1 Ų43.16%0.05526%0.258CS..EExtended strand (participates in β ladder)trans-77.7110173.5178.80000108.3G258 Q259 L261 L277 A302 A303 Y305 F306G258-V272 CarbonylContact C-O 3.53Å; G258-V272 WeakPolarHBondContact CA-O 3.27Å; Q259-V272 PolarHBondContact N-O 3.14Å; Q259-V272 PolarHBondContact O-N 3.03Å; L261-V272 HydrophobicContact CB-CG2 4.09Å; L261-V272 HydrophobicContact CD2-CG2 4.19Å; V272-L277 HydrophobicContact CG2-CD1 3.9Å; V272-A302 WeakPolarHBondContact CG1-O 3.06Å; V272-A303 WeakPolarHBondContact CG1-O 3.14Å; V272-Y305 HydrophobicContact CG2-CG 4.49Å; V272-F306 HydrophobicContact CB-CD2 3.9Å; V272-F306 HydrophobicContact CB-CE2 3.76Å; V272-F306 HydrophobicContact CG1-CD2 4.12Å; V272-F306 HydrophobicContact CG1-CE2 4.46Å; V272-F306 HydrophobicContact CG2-CD2 3.93Å; V272-F306 HydrophobicContact CG2-CE2 3.48Å; V272-F306 VanDerWaalsContact CG2-CE2 3.48Å; V272-F306 HydrophobicContact CG2-CZ 4.37Å
273T85.4Confident90.2Very high16 Ų1640.8 Ų40.810%0.09825%0.246CC..EExtended strand (participates in β ladder)trans-111.1170.3177.674.10000110.1A256 I271 T275 G276 V278 A303A256-T273 HydrophobicContact CB-CG2 3.79Å; I271-T273 HydrophobicContact CG2-CG2 3.93Å; I271-T273 PolarHBondContact O-N 2.99Å; T273-T275 PolarHBondContact O-N 2.91Å; T273-T275 VanDerWaalsContact O-N 3.14Å; T273-T275 PolarHBondContact OG1-N 2.79Å; T273-T275 PolarHBondContact OG1-OG1 2.98Å; T273-G276 PolarHBondContact N-O 3.33Å; T273-G276 PolarHBondContact O-N 3.05Å; T273-G276 VanDerWaalsContact O-N 3.11Å; T273-G276 PolarHBondContact OG1-N 3.42Å; T273-G276 PolarHBondContact OG1-O 2.82Å; T273-V278 HydrophobicContact CG2-CG2 3.88Å; T273-A303 VanDerWaalsContact O-CA 3.26Å; T273-A303 WeakPolarHBondContact O-CA 3.18Å; T273-A303 WeakPolarHBondContact O-CB 3.43Å
274K77.4Confident89.9Confident115 Ų11542.4 Ų42.450%0.526%0.263SS..THydrogen-bonded Turntrans-57.5-26.8172.2-64-165.9173.4-159.20114A303 E402 E429K274-A303 WeakPolarHBondContact O-CB 3.05Å; K274-E402 IonicContact NZ-OE1 3.88Å; K274-E402 IonicContact NZ-OE2 3.47Å; K274-E402 PolarHBondContact NZ-OE2 3.5Å; K274-E429 WeakPolarHBondContact CD-OE1 3.49Å; K274-E429 WeakPolarHBondContact CE-OE1 3.36Å; K274-E429 IonicContact NZ-OE1 2.67Å; K274-E429 PolarHBondContact NZ-OE1 2.74Å; K274-E429 IonicContact NZ-OE2 2.74Å; K274-E429 PolarHBondContact NZ-OE2 3.2Å
275T76.4Confident89.8Confident85 Ų8544 Ų4452%0.52126%0.261SS..THydrogen-bonded Turntrans-88.8-12.4-178.666.70000113.6T273T273-T275 PolarHBondContact O-N 2.91Å; T273-T275 VanDerWaalsContact O-N 3.14Å; T273-T275 PolarHBondContact OG1-N 2.79Å; T273-T275 PolarHBondContact OG1-OG1 2.98Å
276G87.4Confident89.9Confident1 Ų141.5 Ų41.51%0.0123%0.233CC..EExtended strand (participates in β ladder)trans138.4-167.8-176.200000112.9T273 V289T273-G276 PolarHBondContact N-O 3.33Å; T273-G276 PolarHBondContact O-N 3.05Å; T273-G276 VanDerWaalsContact O-N 3.11Å; T273-G276 PolarHBondContact OG1-N 3.42Å; T273-G276 PolarHBondContact OG1-O 2.82Å; G276-V289 WeakPolarHBondContact CA-O 3.13Å
277L93.1Very high90Very high0 Ų040.3 Ų40.30%022%0.223CC..EExtended strand (participates in β ladder)trans-91.1112.2178.8173.961.4000110.2F244 L261 V272 L279 L288 V289 L292 A302F244-L277 HydrophobicContact CD1-CD2 4.33Å; F244-L277 HydrophobicContact CE1-CD2 3.72Å; L261-L277 HydrophobicContact CB-CD1 4.37Å; L261-L277 HydrophobicContact CD2-CD1 3.92Å; L261-L277 HydrophobicContact CD2-CD2 3.93Å; V272-L277 HydrophobicContact CG2-CD1 3.9Å; L277-L279 HydrophobicContact CD1-CD2 4.27Å; L277-L279 HydrophobicContact CD2-CD2 3.9Å; L277-L279 HydrophobicContact CD2-CG 4.5Å; L277-L279 HydrophobicContact CG-CD2 3.81Å; L277-L279 HydrophobicContact CG-CG 4.16Å; L277-L288 CarbonylContact O-C 3.55Å; L277-V289 HydrophobicContact CB-CB 4.49Å; L277-V289 PolarHBondContact N-O 3.26Å; L277-V289 PolarHBondContact O-N 3.11Å; L277-L292 HydrophobicContact CD2-CD1 4.31Å; L277-L292 HydrophobicContact CD2-CD2 4.26Å; L277-A302 HydrophobicContact CB-CB 3.76Å
278V93.6Very high90.4Very high15 Ų1538.1 Ų38.19%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-79.3130.3171.7179.90000108.9A256 G270 I271 T273 F280 T286 L287 L288A256-V278 HydrophobicContact CB-CB 4.41Å; A256-V278 HydrophobicContact CB-CG2 4.1Å; G270-V278 CarbonylContact C-O 3.42Å; G270-V278 WeakPolarHBondContact CA-O 3.24Å; I271-V278 HydrophobicContact CB-CB 4.36Å; I271-V278 PolarHBondContact N-O 3.44Å; I271-V278 PolarHBondContact O-N 2.97Å; T273-V278 HydrophobicContact CG2-CG2 3.88Å; V278-F280 HydrophobicContact CG1-CE2 4.38Å; V278-F280 HydrophobicContact CG1-CZ 4.27Å; V278-T286 HydrophobicContact CG1-CG2 4.03Å; V278-L287 CarbonylContact C-O 3.57Å; V278-L287 WeakPolarHBondContact CA-O 3.4Å; V278-L288 HydrophobicContact CG2-CD1 3.88Å
279L94.5Very high90.6Very high2 Ų233.5 Ų33.51%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-122.3154.4178-56.1167000109.7W213 I224 F244 I263 L277 T286 L287 V289W213-L279 HydrophobicContact CH2-CD1 3.83Å; W213-L279 HydrophobicContact CH2-CD2 3.93Å; W213-L279 HydrophobicContact CH2-CG 4.43Å; W213-L279 HydrophobicContact CZ3-CB 4.26Å; W213-L279 HydrophobicContact CZ3-CD1 3.86Å; W213-L279 HydrophobicContact CZ3-CD2 4.03Å; W213-L279 HydrophobicContact CZ3-CG 4.28Å; I224-L279 HydrophobicContact CD1-CD1 4.31Å; F244-L279 HydrophobicContact CD1-CD1 4.08Å; F244-L279 HydrophobicContact CE1-CD1 4.17Å; F244-L279 HydrophobicContact CE1-CD2 4.49Å; I263-L279 HydrophobicContact CD1-CD2 3.3Å; L277-L279 HydrophobicContact CD1-CD2 4.27Å; L277-L279 HydrophobicContact CD2-CD2 3.9Å; L277-L279 HydrophobicContact CD2-CG 4.5Å; L277-L279 HydrophobicContact CG-CD2 3.81Å; L277-L279 HydrophobicContact CG-CG 4.16Å; L279-T286 VanDerWaalsContact O-CA 3.31Å; L279-T286 WeakPolarHBondContact O-CA 3.19Å; L279-L287 HydrophobicContact CB-CD1 4.44Å; L279-L287 HydrophobicContact CB-CD2 3.94Å; L279-L287 HydrophobicContact CB-CG 3.94Å; L279-L287 HydrophobicContact CD1-CD1 4.11Å; L279-L287 HydrophobicContact CD1-CG 4.49Å; L279-L287 PolarHBondContact N-O 3.13Å; L279-L287 PolarHBondContact O-N 2.94Å; L279-V289 HydrophobicContact CD1-CB 4.47Å; L279-V289 HydrophobicContact CD1-CG2 3.58Å
280F93.8Very high90.4Very high28 Ų2835.8 Ų35.812%0.12319%0.188CC..EExtended strand (participates in β ladder)trans-115134.8-175.3-62.4-92000111.1Q268 P269 I271 V278 T286Q268-F280 HydrophobicContact CB-CB 4.16Å; Q268-F280 HydrophobicContact CB-CD2 3.87Å; Q268-F280 HydrophobicContact CB-CG 4.01Å; P269-F280 WeakPolarHBondContact O-CD2 3.23Å; P269-F280 WeakPolarHBondContact O-CE2 3.19Å; I271-F280 HydrophobicContact CD1-CE2 3.98Å; I271-F280 HydrophobicContact CD1-CZ 3.81Å; I271-F280 HydrophobicContact CG1-CE2 4.1Å; I271-F280 HydrophobicContact CG1-CZ 4.42Å; V278-F280 HydrophobicContact CG1-CE2 4.38Å; V278-F280 HydrophobicContact CG1-CZ 4.27Å; F280-T286 HydrophobicContact CD1-CG2 3.51Å; F280-T286 HydrophobicContact CE1-CG2 3.39Å; F280-T286 HydrophobicContact CG-CG2 4.39Å; F280-T286 HydrophobicContact CZ-CG2 4.19Å
281G93.6Very high90.2Very high1 Ų137.3 Ų37.31%0.0120%0.196CC..  trans-76.8168.2164.700000112.3Q215 S267 D283 G284 K285Q215-G281 CarbonylContact O-C 3.53Å; Q215-G281 VanDerWaalsContact O-CA 3.32Å; Q215-G281 WeakPolarHBondContact O-CA 3.25Å; S267-G281 PolarHBondContact OG-O 3.35Å; G281-D283 PolarHBondContact O-N 3.26Å; G281-G284 PolarHBondContact O-N 2.71Å; G281-K285 PolarHBondContact N-O 3.12Å
282N93.9Very high90.3Very high82 Ų8235.7 Ų35.744%0.43919%0.188SC..THydrogen-bonded Turntrans-70.2-8.7169.472.5-0.7000113.3N214 Q215 S216N214-N282 VanDerWaalsContact C-ND2 3.29Å; N214-N282 PolarHBondContact O-ND2 3.39Å; N214-N282 PolarHBondContact OD1-ND2 2.85Å; N214-N282 VanDerWaalsContact OD1-ND2 3.08Å; Q215-N282 PolarHBondContact O-N 3.01Å; Q215-N282 PolarHBondContact O-OD1 2.95Å; S216-N282 PolarHBondContact N-OD1 3.24Å
283D92.8Very high90.2Very high68 Ų6837.9 Ų37.936%0.36420%0.197SC..THydrogen-bonded Turntrans-92.32.9174.764.6-20.4000113.3S216 A217 G281 K285S216-D283 WeakPolarHBondContact CB-OD2 3.39Å; A217-D283 PolarHBondContact N-OD1 2.94Å; G281-D283 PolarHBondContact O-N 3.26Å; D283-K285 PolarHBondContact O-N 3.1Å; D283-K285 PolarHBondContact OD1-N 3.02Å; D283-K285 WeakPolarHBondContact OD2-CD 3.41Å
284G87.4Confident90.3Very high36 Ų3638.4 Ų38.437%0.37120%0.198SC..SBendtrans727.9-179.200000114.2N252 G281N252-G284 PolarHBondContact ND2-O 2.87Å; G281-G284 PolarHBondContact O-N 2.71Å
285K91.7Very high90.6Very high112 Ų11239 Ų3949%0.48720%0.203SC..  trans-84.2164.8169.7-65.9-173.9-173.6173.40110.6A217 G281 D283A217-K285 HydrophobicContact CB-CB 3.63Å; A217-K285 WeakPolarHBondContact CB-O 3.35Å; G281-K285 PolarHBondContact N-O 3.12Å; D283-K285 PolarHBondContact O-N 3.1Å; D283-K285 PolarHBondContact OD1-N 3.02Å; D283-K285 WeakPolarHBondContact OD2-CD 3.41Å
286T92.4Very high90.6Very high16 Ų1639.5 Ų39.510%0.09820%0.202CC..EExtended strand (participates in β ladder)trans-120.9151.4-174.655.90000113.1V250 N252 V278 L279 F280V250-T286 PolarHBondContact N-O 2.95Å; V250-T286 VanDerWaalsContact N-O 3.16Å; V250-T286 PolarHBondContact O-OG1 2.96Å; N252-T286 PolarHBondContact OD1-N 3.29Å; N252-T286 PolarHBondContact OD1-OG1 3.23Å; V278-T286 HydrophobicContact CG1-CG2 4.03Å; L279-T286 VanDerWaalsContact O-CA 3.31Å; L279-T286 WeakPolarHBondContact O-CA 3.19Å; F280-T286 HydrophobicContact CD1-CG2 3.51Å; F280-T286 HydrophobicContact CE1-CG2 3.39Å; F280-T286 HydrophobicContact CG-CG2 4.39Å; F280-T286 HydrophobicContact CZ-CG2 4.19Å
287L94Very high90.1Very high0 Ų040.2 Ų40.20%021%0.21CC..EExtended strand (participates in β ladder)trans-132156.3166.265.7139.6000109.4A217 I220 H221 I224 S247 T248 L249 V278 L279 V289A217-L287 HydrophobicContact CB-CD2 3.95Å; I220-L287 HydrophobicContact CB-CD2 4.03Å; I220-L287 HydrophobicContact CG2-CD1 3.98Å; I220-L287 HydrophobicContact CG2-CD2 3.94Å; H221-L287 HydrophobicContact CB-CB 4.39Å; H221-L287 HydrophobicContact CB-CD1 4.25Å; I224-L287 HydrophobicContact CD1-CD1 3.73Å; S247-L287 VanDerWaalsContact OG-CD1 3.31Å; S247-L287 WeakPolarHBondContact OG-CD1 3.26Å; T248-L287 CarbonylContact O-C 3.48Å; T248-L287 WeakPolarHBondContact O-CA 3.49Å; L249-L287 HydrophobicContact CD2-CB 4.21Å; V278-L287 CarbonylContact C-O 3.57Å; V278-L287 WeakPolarHBondContact CA-O 3.4Å; L279-L287 HydrophobicContact CB-CD1 4.44Å; L279-L287 HydrophobicContact CB-CD2 3.94Å; L279-L287 HydrophobicContact CB-CG 3.94Å; L279-L287 HydrophobicContact CD1-CD1 4.11Å; L279-L287 HydrophobicContact CD1-CG 4.49Å; L279-L287 PolarHBondContact N-O 3.13Å; L279-L287 PolarHBondContact O-N 2.94Å; L287-V289 HydrophobicContact CD1-CG2 4.31Å
288L93.7Very high89.3Confident20 Ų2045 Ų4511%0.10523%0.23CC..EExtended strand (participates in β ladder)trans-108.7139.3174.8-175.673.1000109.5S247 T248 V250 L277 V278S247-L288 CarbonylContact C-O 3.51Å; S247-L288 WeakPolarHBondContact CA-O 3.31Å; T248-L288 PolarHBondContact N-O 3.35Å; T248-L288 PolarHBondContact O-N 2.76Å; V250-L288 HydrophobicContact CG2-CB 3.68Å; L277-L288 CarbonylContact O-C 3.55Å; V278-L288 HydrophobicContact CG2-CD1 3.88Å
289V95.5Very high88.7Confident0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-116.1128.1168.5172.10000108.9I224 F244 F245 G276 L277 L279 L287 N291 L292 A302I224-V289 HydrophobicContact CD1-CG2 3.8Å; F244-V289 HydrophobicContact CB-CG1 3.94Å; F244-V289 HydrophobicContact CB-CG2 4.38Å; F244-V289 HydrophobicContact CD1-CB 4.37Å; F244-V289 HydrophobicContact CD1-CG1 3.97Å; F244-V289 HydrophobicContact CD1-CG2 4.13Å; F244-V289 HydrophobicContact CG-CG1 4.43Å; F245-V289 WeakPolarHBondContact O-CG1 3.26Å; G276-V289 WeakPolarHBondContact CA-O 3.13Å; L277-V289 HydrophobicContact CB-CB 4.49Å; L277-V289 PolarHBondContact N-O 3.26Å; L277-V289 PolarHBondContact O-N 3.11Å; L279-V289 HydrophobicContact CD1-CB 4.47Å; L279-V289 HydrophobicContact CD1-CG2 3.58Å; L287-V289 HydrophobicContact CD1-CG2 4.31Å; V289-N291 WeakPolarHBondContact CG1-O 3.2Å; V289-L292 HydrophobicContact CG1-CD2 4.18Å; V289-A302 VanDerWaalsContact O-CB 3.22Å; V289-A302 WeakPolarHBondContact O-CB 3.49Å
290K87.9Confident88.1Confident110 Ų11045.7 Ų45.748%0.47823%0.233SC..EExtended strand (participates in β ladder)trans-87.5-33.1-176-70.4-171.1175.1-167.80114.2F245 G246 A302F245-K290 PolarHBondContact O-N 3.33Å; G246-K290 PolarHBondContact O-N 3.32Å; K290-A302 WeakPolarHBondContact O-CB 3.25Å; K290-A302 PolarHBondContact O-N 3.04Å
291N88.3Confident87.6Confident34 Ų3446.2 Ų46.218%0.18224%0.24CC..EExtended strand (participates in β ladder)trans-135.3145.5-173-58.6-67.7000111.7F245 V289 M299 I300 M380F245-N291 HydrophobicContact CB-CB 4.19Å; F245-N291 PolarHBondContact N-O 2.67Å; F245-N291 PolarHBondContact O-N 3.21Å; F245-N291 VanDerWaalsContact O-N 3.1Å; V289-N291 WeakPolarHBondContact CG1-O 3.2Å; N291-M299 HydrophobicContact CB-CG 4.48Å; N291-I300 WeakPolarHBondContact CA-O 3.45Å; N291-M380 WeakPolarHBondContact OD1-CE 3.29Å
292L92.4Very high87.4Confident0 Ų046.2 Ų46.20%024%0.239CC..EExtended strand (participates in β ladder)trans-123.5143.4176.7-62.8173.9000109.5V242 T243 F244 L277 V289 M299 I300 A302 Y305V242-L292 HydrophobicContact CG1-CB 3.8Å; V242-L292 HydrophobicContact CG1-CD2 3.99Å; V242-L292 HydrophobicContact CG1-CG 4.3Å; T243-L292 CarbonylContact O-C 3.54Å; T243-L292 VanDerWaalsContact O-CA 3.26Å; T243-L292 WeakPolarHBondContact O-CA 3.45Å; F244-L292 HydrophobicContact CD1-CD2 3.56Å; F244-L292 HydrophobicContact CE1-CD2 3.78Å; F244-L292 HydrophobicContact CG-CD2 3.98Å; F244-L292 HydrophobicContact CZ-CD2 4.35Å; L277-L292 HydrophobicContact CD2-CD1 4.31Å; L277-L292 HydrophobicContact CD2-CD2 4.26Å; V289-L292 HydrophobicContact CG1-CD2 4.18Å; L292-M299 CarbonylContact O-C 3.52Å; L292-M299 VanDerWaalsContact O-CA 3.24Å; L292-M299 WeakPolarHBondContact O-CA 3.27Å; L292-M299 WeakPolarHBondContact O-CG 3.19Å; L292-I300 HydrophobicContact CB-CG1 4.16Å; L292-I300 PolarHBondContact N-O 3.12Å; L292-I300 PolarHBondContact O-N 3.25Å; L292-A302 HydrophobicContact CD1-CB 4.05Å; L292-A302 HydrophobicContact CG-CB 3.91Å; L292-Y305 HydrophobicContact CD1-CD2 3.53Å; L292-Y305 HydrophobicContact CD1-CE2 4.19Å; L292-Y305 HydrophobicContact CD1-CG 4.41Å
293Q88.2Confident86.9Confident54 Ų5443.8 Ų43.825%0.25223%0.23SC..EExtended strand (participates in β ladder)trans-128128.1173-176.2-178.143.200111.2V242 T243 F245 G297 K298 M299V242-Q293 CarbonylContact C-O 3.47Å; V242-Q293 WeakPolarHBondContact CA-O 3.42Å; T243-Q293 PolarHBondContact N-O 2.98Å; T243-Q293 PolarHBondContact O-N 3.34Å; F245-Q293 HydrophobicContact CD2-CB 4.38Å; F245-Q293 HydrophobicContact CE2-CB 3.76Å; Q293-G297 PolarHBondContact NE2-O 3.42Å; Q293-K298 CarbonylContact C-O 3.56Å; Q293-K298 VanDerWaalsContact CA-O 3.27Å; Q293-K298 WeakPolarHBondContact CA-O 3.16Å; Q293-M299 HydrophobicContact CB-CB 4.39Å; Q293-M299 HydrophobicContact CB-CE 3.99Å; Q293-M299 HydrophobicContact CB-CG 4.28Å; Q293-M299 HydrophobicContact CG-CB 4.45Å; Q293-M299 HydrophobicContact CG-CE 4.27Å
294F88.4Confident86.5Confident28 Ų2845.4 Ų45.412%0.12324%0.236CC..  trans-87.2169-179.5-59.6-81.8000112.1Q240 V242 D296 G297 K298 I300 Y305Q240-F294 VanDerWaalsContact CD-CD1 3.48Å; Q240-F294 VanDerWaalsContact NE2-CE1 3.27Å; V242-F294 HydrophobicContact CG1-CD1 4.4Å; V242-F294 HydrophobicContact CG1-CE1 4.36Å; V242-F294 HydrophobicContact CG2-CD1 3.6Å; V242-F294 HydrophobicContact CG2-CE1 3.76Å; F294-D296 WeakPolarHBondContact CB-OD1 3.25Å; F294-D296 PolarHBondContact O-N 3.19Å; F294-G297 WeakPolarHBondContact O-CA 3.09Å; F294-G297 PolarHBondContact O-N 2.98Å; F294-K298 HydrophobicContact CD2-CB 4.46Å; F294-K298 PolarHBondContact N-O 3.37Å; F294-I300 HydrophobicContact CE2-CD1 3.56Å; F294-I300 HydrophobicContact CE2-CG1 3.68Å; F294-I300 HydrophobicContact CE2-CG2 4.14Å; F294-I300 HydrophobicContact CZ-CD1 3.76Å; F294-I300 HydrophobicContact CZ-CG1 4.27Å; F294-Y305 AromaticContact CE1-CE2 3.95Å; F294-Y305 HydrophobicContact CE1-CE2 3.95Å; F294-Y305 HydrophobicContact CZ-CD2 4.13Å; F294-Y305 AromaticContact CZ-CE2 3.93Å; F294-Y305 HydrophobicContact CZ-CE2 3.93Å
295E83.9Confident86.4Confident128 Ų12845 Ų4560%0.59822%0.223SC*.THydrogen-bonded Turntrans-61.1-29.8-177.5-69.4-164.9156.600113.7K241 G297K241-E295 HydrophobicContact CB-CG 3.81Å; K241-E295 VanDerWaalsContact CB-OE1 3.23Å; K241-E295 WeakPolarHBondContact CB-OE1 3.5Å; K241-E295 WeakPolarHBondContact CD-OE1 3.29Å; K241-E295 WeakPolarHBondContact CG-OE1 3.45Å; K241-E295 PolarHBondContact N-OE1 3.26Å; K241-E295 WeakPolarHBondContact O-CG 3.32Å; E295-G297 PolarHBondContact O-N 3.2Å
296D76.9Confident86Confident95 Ų9543.5 Ų43.551%0.50822%0.217SC..THydrogen-bonded Turntrans-71.1-7.4175.668-2.5000113F294 K298 K349F294-D296 WeakPolarHBondContact CB-OD1 3.25Å; F294-D296 PolarHBondContact O-N 3.19Å; D296-K298 WeakPolarHBondContact OD1-CB 3.43Å; D296-K298 PolarHBondContact OD1-N 3.48Å; D296-K349 WeakPolarHBondContact O-CE 3.19Å; D296-K349 PolarHBondContact O-NZ 3.24Å
297G75.2Confident85.1Confident16 Ų1646.9 Ų46.917%0.16524%0.241CC..SBendtrans94.5-9-178.800000114.2Q293 F294 E295 M299Q293-G297 PolarHBondContact NE2-O 3.42Å; F294-G297 WeakPolarHBondContact O-CA 3.09Å; F294-G297 PolarHBondContact O-N 2.98Å; E295-G297 PolarHBondContact O-N 3.2Å; G297-M299 PolarHBondContact O-N 3Å
298K76.6Confident83Confident99 Ų9952.3 Ų52.343%0.4328%0.279SS..  trans-62.8128.4179.1-175179.9-178.6178.40109.9Q293 F294 D296 I300Q293-K298 CarbonylContact C-O 3.56Å; Q293-K298 VanDerWaalsContact CA-O 3.27Å; Q293-K298 WeakPolarHBondContact CA-O 3.16Å; F294-K298 HydrophobicContact CD2-CB 4.46Å; F294-K298 PolarHBondContact N-O 3.37Å; D296-K298 WeakPolarHBondContact OD1-CB 3.43Å; D296-K298 PolarHBondContact OD1-N 3.48Å; K298-I300 HydrophobicContact CD-CG2 4.36Å; K298-I300 HydrophobicContact CG-CG2 4.23Å
299M81.4Confident80.9Confident14 Ų1454.9 Ų54.97%0.06931%0.309CS..EExtended strand (participates in β ladder)trans-109.8132.9176-165.5175.6-75.500109.7F245 N291 L292 Q293 G297 Y379 M380F245-M299 HydrophobicContact CD2-CE 3.77Å; F245-M299 HydrophobicContact CE2-CE 3.61Å; F245-M299 HydrophobicContact CZ-CE 4.44Å; N291-M299 HydrophobicContact CB-CG 4.48Å; L292-M299 CarbonylContact O-C 3.52Å; L292-M299 VanDerWaalsContact O-CA 3.24Å; L292-M299 WeakPolarHBondContact O-CA 3.27Å; L292-M299 WeakPolarHBondContact O-CG 3.19Å; Q293-M299 HydrophobicContact CB-CB 4.39Å; Q293-M299 HydrophobicContact CB-CE 3.99Å; Q293-M299 HydrophobicContact CB-CG 4.28Å; Q293-M299 HydrophobicContact CG-CB 4.45Å; Q293-M299 HydrophobicContact CG-CE 4.27Å; G297-M299 PolarHBondContact O-N 3Å; M299-Y379 WeakPolarHBondContact CB-O 3.38Å; M299-M380 HydrophobicContact CB-CE 4.34Å; M299-M380 HydrophobicContact CB-SD 3.88Å; M299-M380 HydrophobicContact CG-CE 3.86Å; M299-M380 HydrophobicContact CG-SD 3.52Å; M299-M380 VanDerWaalsContact CG-SD 3.52Å; M299-M380 HydrophobicContact SD-SD 3.75Å
300I81.8Confident78.2Confident18 Ų1857.7 Ų57.79%0.09234%0.339CS..EExtended strand (participates in β ladder)trans-128.9150.7179.167.7167.1000111N291 L292 F294 K298 A302 Y305 M380N291-I300 WeakPolarHBondContact CA-O 3.45Å; L292-I300 HydrophobicContact CB-CG1 4.16Å; L292-I300 PolarHBondContact N-O 3.12Å; L292-I300 PolarHBondContact O-N 3.25Å; F294-I300 HydrophobicContact CE2-CD1 3.56Å; F294-I300 HydrophobicContact CE2-CG1 3.68Å; F294-I300 HydrophobicContact CE2-CG2 4.14Å; F294-I300 HydrophobicContact CZ-CD1 3.76Å; F294-I300 HydrophobicContact CZ-CG1 4.27Å; K298-I300 HydrophobicContact CD-CG2 4.36Å; K298-I300 HydrophobicContact CG-CG2 4.23Å; I300-A302 PolarHBondContact O-N 2.86Å; I300-Y305 HydrophobicContact CD1-CD2 4.38Å; I300-M380 WeakPolarHBondContact O-CE 3.44Å
301P83.7Confident76.2Confident40 Ų4056 Ų5626%0.2634%0.34SS..EExtended strand (participates in β ladder)trans-58.6133.1163.4-19.733.3000107.9A303 Q304 M380P301-A303 PolarHBondContact O-N 2.68Å; P301-A303 VanDerWaalsContact O-N 3.15Å; P301-Q304 HydrophobicContact CB-CG 4.25Å; P301-Q304 HydrophobicContact CG-CG 4.39Å; P301-Q304 PolarHBondContact O-N 3.23Å; P301-M380 HydrophobicContact CG-CE 3.9Å
302A88.3Confident74.2Confident0 Ų060 Ų600%037%0.366CS..G310 helixtrans-61-28.6-176.900000112V272 L277 V289 K290 L292 I300 Q304 Y305V272-A302 WeakPolarHBondContact CG1-O 3.06Å; L277-A302 HydrophobicContact CB-CB 3.76Å; V289-A302 VanDerWaalsContact O-CB 3.22Å; V289-A302 WeakPolarHBondContact O-CB 3.49Å; K290-A302 WeakPolarHBondContact O-CB 3.25Å; K290-A302 PolarHBondContact O-N 3.04Å; L292-A302 HydrophobicContact CD1-CB 4.05Å; L292-A302 HydrophobicContact CG-CB 3.91Å; I300-A302 PolarHBondContact O-N 2.86Å; A302-Q304 PolarHBondContact O-N 3.15Å; A302-Y305 WeakPolarHBondContact O-CB 3.46Å; A302-Y305 PolarHBondContact O-N 3.47Å
303A84.5Confident72.7Confident31 Ų3162.9 Ų62.926%0.25639%0.391SS..G310 helixtrans-59.5-25.2173.200000113.7V272 T273 K274 P301V272-A303 WeakPolarHBondContact CG1-O 3.14Å; T273-A303 VanDerWaalsContact O-CA 3.26Å; T273-A303 WeakPolarHBondContact O-CA 3.18Å; T273-A303 WeakPolarHBondContact O-CB 3.43Å; K274-A303 WeakPolarHBondContact O-CB 3.05Å; P301-A303 PolarHBondContact O-N 2.68Å; P301-A303 VanDerWaalsContact O-N 3.15Å
304Q84.3Confident71.8Confident103 Ų10361.6 Ų61.648%0.48139%0.386SS..G310 helixtrans-96.712.3-177.1-64.1179.5-4.700112.8P301 A302 F306 C307P301-Q304 HydrophobicContact CB-CG 4.25Å; P301-Q304 HydrophobicContact CG-CG 4.39Å; P301-Q304 PolarHBondContact O-N 3.23Å; A302-Q304 PolarHBondContact O-N 3.15Å; Q304-F306 VanDerWaalsContact C-N 3.28Å; Q304-F306 PolarHBondContact O-N 2.89Å; Q304-C307 HydrophobicContact CB-CB 4.24Å; Q304-C307 WeakPolarHBondContact O-CB 3.42Å; Q304-C307 PolarHBondContact O-N 3.12Å
305Y85.2Confident71.4Confident26 Ų2668.8 Ų68.810%0.10242%0.42CS..THydrogen-bonded Turntrans-53.8-42.3-175.5-173.4-91.6000113.5L237 D238 L261 V272 L292 F294 I300 A302L237-Y305 HydrophobicContact CD1-CE2 3.96Å; D238-Y305 PolarHBondContact OD2-OH 3.02Å; L261-Y305 HydrophobicContact CD1-CD1 3.89Å; L261-Y305 HydrophobicContact CD1-CE1 3.29Å; L261-Y305 HydrophobicContact CD2-CD1 4.15Å; L261-Y305 HydrophobicContact CD2-CD2 4.4Å; L261-Y305 HydrophobicContact CD2-CE1 4.13Å; L261-Y305 HydrophobicContact CD2-CE2 4.33Å; L261-Y305 HydrophobicContact CD2-CG 4.3Å; L261-Y305 HydrophobicContact CG-CE1 4.34Å; V272-Y305 HydrophobicContact CG2-CG 4.49Å; L292-Y305 HydrophobicContact CD1-CD2 3.53Å; L292-Y305 HydrophobicContact CD1-CE2 4.19Å; L292-Y305 HydrophobicContact CD1-CG 4.41Å; F294-Y305 AromaticContact CE1-CE2 3.95Å; F294-Y305 HydrophobicContact CE1-CE2 3.95Å; F294-Y305 HydrophobicContact CZ-CD2 4.13Å; F294-Y305 AromaticContact CZ-CE2 3.93Å; F294-Y305 HydrophobicContact CZ-CE2 3.93Å; I300-Y305 HydrophobicContact CD1-CD2 4.38Å; A302-Y305 WeakPolarHBondContact O-CB 3.46Å; A302-Y305 PolarHBondContact O-N 3.47Å
306F82.8Confident71.5Confident81 Ų8164.7 Ų64.736%0.35540%0.402SS..THydrogen-bonded Turntrans-91.3-3.4179.5-63.4-65.1000114.1Q259 P260 L261 V272 Q304 S308Q259-F306 HydrophobicContact CB-CD2 3.57Å; Q259-F306 HydrophobicContact CB-CE2 3.48Å; Q259-F306 VanDerWaalsContact CB-CE2 3.48Å; Q259-F306 HydrophobicContact CB-CZ 4.43Å; Q259-F306 HydrophobicContact CG-CD2 4.4Å; P260-F306 WeakPolarHBondContact O-CZ 3.31Å; L261-F306 HydrophobicContact CB-CE2 4.41Å; L261-F306 HydrophobicContact CB-CZ 4.04Å; L261-F306 HydrophobicContact CD1-CE1 4.45Å; L261-F306 HydrophobicContact CD1-CZ 4.06Å; V272-F306 HydrophobicContact CB-CD2 3.9Å; V272-F306 HydrophobicContact CB-CE2 3.76Å; V272-F306 HydrophobicContact CG1-CD2 4.12Å; V272-F306 HydrophobicContact CG1-CE2 4.46Å; V272-F306 HydrophobicContact CG2-CD2 3.93Å; V272-F306 HydrophobicContact CG2-CE2 3.48Å; V272-F306 VanDerWaalsContact CG2-CE2 3.48Å; V272-F306 HydrophobicContact CG2-CZ 4.37Å; Q304-F306 VanDerWaalsContact C-N 3.28Å; Q304-F306 PolarHBondContact O-N 2.89Å; F306-S308 PolarHBondContact O-N 3.44Å
307C74.1Confident72.1Confident88 Ų8863 Ų6360%0.59540%0.396SS*.SBendtrans-74.896.8172.8-63.20000107.4Q304 G309Q304-C307 HydrophobicContact CB-CB 4.24Å; Q304-C307 WeakPolarHBondContact O-CB 3.42Å; Q304-C307 PolarHBondContact O-N 3.12Å; C307-G309 PolarHBondContact O-N 3.11Å
308S49.4Very low72.6Confident114 Ų11468.8 Ų68.880%0.79742%0.418SS*.  trans-51117.2174.449.30000109.1F306 G310F306-S308 PolarHBondContact O-N 3.44Å; S308-G310 PolarHBondContact O-N 2.98Å
309G49.5Very low73.1Confident73 Ų7371.8 Ų71.875%0.75343%0.434SS*.SBendtrans-47.4110.5-178.800000111.2C307C307-G309 PolarHBondContact O-N 3.11Å
310G39.6Very low73.5Confident60 Ų6072.2 Ų72.262%0.61944%0.436SS*.  trans-163.147.9-178.900000109.7S308 T312S308-G310 PolarHBondContact O-N 2.98Å; G310-T312 PolarHBondContact O-N 3.42Å
311S46.8Very low73.9Confident73 Ų7376 Ų7651%0.5145%0.452SS..  trans-66.993148.840.20000106A313 R393S311-A313 PolarHBondContact O-N 3.32Å; S311-A313 VanDerWaalsContact O-N 3.1Å; S311-R393 VanDerWaalsContact CA-NH2 3.28Å
312T46.4Very low74.2Confident118 Ų11877.2 Ų77.272%0.72446%0.461SS*.  trans-45.712216420.80000107.2G310 V314 R393G310-T312 PolarHBondContact O-N 3.42Å; T312-V314 PolarHBondContact O-N 3.28Å; T312-R393 PolarHBondContact O-NH2 3.35Å
313A59.3Low74.4Confident62 Ų6278.1 Ų78.151%0.51247%0.465SS..PPolyproline II helixtrans-55.7117.5176.900000107.1S311S311-A313 PolarHBondContact O-N 3.32Å; S311-A313 VanDerWaalsContact O-N 3.1Å
314V69.6Low74.8Confident27 Ų2777 Ų7716%0.16446%0.456CS..PPolyproline II helixtrans-75132.4-178.7-172.60000107T312 L316 Q389 R393 R396T312-V314 PolarHBondContact O-N 3.28Å; V314-L316 PolarHBondContact O-N 2.92Å; V314-Q389 PolarHBondContact O-NE2 2.93Å; V314-Q389 VanDerWaalsContact O-NE2 3.07Å; V314-R393 HydrophobicContact CG2-CG 4.38Å; V314-R396 VanDerWaalsContact CG1-CZ 3.43Å
315E80.7Confident75.2Confident179 Ų17977.4 Ų77.484%0.83646%0.458SS*.PPolyproline II helixtrans-65.7123.8172.4-73.9-168.9166.200109.5R396E315-R396 PolarHBondContact O-NH2 3.21Å
316L86.2Confident75.5Confident41 Ų4180 Ų8022%0.21547%0.471CS..PPolyproline II helixtrans-78.3133.9-177.2-58.1-175.3000110.8V314 E320 K321 A324 I388 V392V314-L316 PolarHBondContact O-N 2.92Å; L316-E320 VanDerWaalsContact CA-OE2 3.32Å; L316-E320 WeakPolarHBondContact CA-OE2 3.37Å; L316-E320 HydrophobicContact CB-CB 4.06Å; L316-E320 HydrophobicContact CD2-CB 4.24Å; L316-K321 HydrophobicContact CB-CG 3.8Å; L316-K321 HydrophobicContact CD1-CG 4.43Å; L316-K321 WeakPolarHBondContact O-CE 3.01Å; L316-A324 HydrophobicContact CD1-CB 4.36Å; L316-I388 HydrophobicContact CD1-CG2 4.02Å; L316-I388 HydrophobicContact CD2-CG2 4.43Å; L316-V392 HydrophobicContact CD2-CB 4.24Å; L316-V392 HydrophobicContact CD2-CG1 4.01Å; L316-V392 HydrophobicContact CD2-CG2 3.68Å
317T88.7Confident76.1Confident61 Ų6176.2 Ų76.237%0.37445%0.454SS..PPolyproline II helixtrans-67.2165.3166.670.90000110.5E319 E320 K321T317-E319 PolarHBondContact O-N 2.9Å; T317-E320 PolarHBondContact N-OE2 3.33Å; T317-E320 PolarHBondContact O-N 2.7Å; T317-E320 VanDerWaalsContact O-N 3.13Å; T317-E320 VanDerWaalsContact OG1-CG 3.3Å; T317-E320 WeakPolarHBondContact OG1-CG 3.39Å; T317-E320 PolarHBondContact OG1-N 2.7Å; T317-E320 PolarHBondContact OG1-OE2 3.32Å; T317-K321 WeakPolarHBondContact O-CG 3.36Å; T317-K321 PolarHBondContact O-N 2.72Å
318E86.4Confident77.1Confident137 Ų13774.3 Ų74.364%0.6443%0.434SS*.Hα-helixtrans-60.8-33.1177.8-67.7-57.3125.400112.7K321 S322E318-K321 IonicContact OE1-NZ 3.18Å; E318-K321 PolarHBondContact OE1-NZ 2.9Å; E318-S322 PolarHBondContact O-N 3.18Å; E318-S322 VanDerWaalsContact O-N 3.08Å
319E86.3Confident79.2Confident162 Ų16272 Ų7276%0.75742%0.422SS*.Hα-helixtrans-67.4-41.1175-69158.2-173.900111.3T317 S322 F323T317-E319 PolarHBondContact O-N 2.9Å; E319-S322 WeakPolarHBondContact O-CB 2.97Å; E319-S322 PolarHBondContact O-N 2.89Å; E319-F323 PolarHBondContact O-N 3.22Å
320E89.8Confident81.3Confident23 Ų2368.8 Ų68.811%0.10739%0.387CS..Hα-helixtrans-72.4-33.2177.3-68.9164.617100112.7L316 T317 S322 F323 A324 V392 R396L316-E320 VanDerWaalsContact CA-OE2 3.32Å; L316-E320 WeakPolarHBondContact CA-OE2 3.37Å; L316-E320 HydrophobicContact CB-CB 4.06Å; L316-E320 HydrophobicContact CD2-CB 4.24Å; T317-E320 PolarHBondContact N-OE2 3.33Å; T317-E320 PolarHBondContact O-N 2.7Å; T317-E320 VanDerWaalsContact O-N 3.13Å; T317-E320 VanDerWaalsContact OG1-CG 3.3Å; T317-E320 WeakPolarHBondContact OG1-CG 3.39Å; T317-E320 PolarHBondContact OG1-N 2.7Å; T317-E320 PolarHBondContact OG1-OE2 3.32Å; E320-S322 VanDerWaalsContact C-N 3.32Å; E320-F323 WeakPolarHBondContact O-CB 3.48Å; E320-F323 PolarHBondContact O-N 2.74Å; E320-A324 WeakPolarHBondContact O-CB 3.42Å; E320-A324 PolarHBondContact O-N 3.15Å; E320-V392 HydrophobicContact CB-CG2 4.19Å; E320-V392 HydrophobicContact CG-CG1 4.31Å; E320-V392 HydrophobicContact CG-CG2 4.19Å; E320-V392 WeakPolarHBondContact OE1-CG1 3.38Å; E320-R396 IonicContact OE1-CZ 2.66Å; E320-R396 IonicContact OE1-NE 3.63Å; E320-R396 PolarHBondContact OE1-NE 2.88Å; E320-R396 IonicContact OE1-NH2 3.16Å; E320-R396 PolarHBondContact OE1-NH2 3.36Å; E320-R396 IonicContact OE2-CZ 3.53Å; E320-R396 IonicContact OE2-NE 2.7Å; E320-R396 IonicContact OE2-NH2 3.62Å; E320-R396 PolarHBondContact OE2-NH2 3.47Å
321K90.1Very high84Confident98 Ų9865.9 Ų65.943%0.42636%0.358SS..Hα-helixtrans-62.3-41.6169.9-71.1175.9-169.7168.20111.1L316 T317 E318 A324 E325L316-K321 HydrophobicContact CB-CG 3.8Å; L316-K321 HydrophobicContact CD1-CG 4.43Å; L316-K321 WeakPolarHBondContact O-CE 3.01Å; T317-K321 WeakPolarHBondContact O-CG 3.36Å; T317-K321 PolarHBondContact O-N 2.72Å; E318-K321 IonicContact OE1-NZ 3.18Å; E318-K321 PolarHBondContact OE1-NZ 2.9Å; K321-A324 PolarHBondContact O-N 2.84Å; K321-E325 PolarHBondContact O-N 3.15Å
322S90.8Very high86.2Confident65 Ų6566.3 Ų66.346%0.45535%0.35SS..Hα-helixtrans-62.3-43.1174-177.80000111.6E318 E319 E320 E325 Q326E318-S322 PolarHBondContact O-N 3.18Å; E318-S322 VanDerWaalsContact O-N 3.08Å; E319-S322 WeakPolarHBondContact O-CB 2.97Å; E319-S322 PolarHBondContact O-N 2.89Å; E320-S322 VanDerWaalsContact C-N 3.32Å; S322-E325 PolarHBondContact O-N 2.72Å; S322-Q326 WeakPolarHBondContact O-CG 3.5Å; S322-Q326 PolarHBondContact O-N 3.07Å; S322-Q326 VanDerWaalsContact O-N 3.09Å
323F91.3Very high88.4Confident18 Ų1863 Ų638%0.07933%0.333CS..Hα-helixtrans-60.3-44.4173173.8-102.4000112.1E319 E320 E325 Q326 M327 V364 A368 I388 C391 L395E319-F323 PolarHBondContact O-N 3.22Å; E320-F323 WeakPolarHBondContact O-CB 3.48Å; E320-F323 PolarHBondContact O-N 2.74Å; F323-E325 PolarHBondContact O-N 3.25Å; F323-Q326 WeakPolarHBondContact O-CB 2.95Å; F323-Q326 PolarHBondContact O-N 3.32Å; F323-M327 HydrophobicContact CD1-CG 4.28Å; F323-M327 HydrophobicContact CD2-CG 4.42Å; F323-M327 HydrophobicContact CE1-CG 3.78Å; F323-M327 HydrophobicContact CE2-CE 4.05Å; F323-M327 HydrophobicContact CE2-CG 3.95Å; F323-M327 HydrophobicContact CE2-SD 4.19Å; F323-M327 HydrophobicContact CZ-CE 4.45Å; F323-M327 HydrophobicContact CZ-CG 3.6Å; F323-M327 HydrophobicContact CZ-SD 3.98Å; F323-M327 WeakPolarHBondContact O-CG 3.35Å; F323-M327 PolarHBondContact O-N 2.91Å; F323-V364 HydrophobicContact CZ-CG1 4.26Å; F323-A368 HydrophobicContact CD2-CB 4.21Å; F323-A368 HydrophobicContact CE2-CB 3.61Å; F323-A368 HydrophobicContact CZ-CB 4.26Å; F323-I388 HydrophobicContact CE1-CD1 4.36Å; F323-C391 HydrophobicContact CE1-CB 3.71Å; F323-C391 HydrophobicContact CZ-CB 4.17Å; F323-L395 HydrophobicContact CE1-CD1 4.44Å
324A92.8Very high89.8Confident8 Ų860.9 Ų60.97%0.06631%0.312CS..Hα-helixtrans-59.5-45.5176.900000111.9L316 E320 K321 Q326 M327 R328 F384 I388L316-A324 HydrophobicContact CD1-CB 4.36Å; E320-A324 WeakPolarHBondContact O-CB 3.42Å; E320-A324 PolarHBondContact O-N 3.15Å; K321-A324 PolarHBondContact O-N 2.84Å; A324-Q326 VanDerWaalsContact C-N 3.34Å; A324-Q326 PolarHBondContact O-N 2.76Å; A324-M327 CarbonylContact O-C 3.55Å; A324-M327 WeakPolarHBondContact O-CB 3.29Å; A324-M327 PolarHBondContact O-N 3.24Å; A324-M327 VanDerWaalsContact O-N 3.15Å; A324-R328 PolarHBondContact O-N 3.38Å; A324-F384 WeakPolarHBondContact O-CZ 3.21Å; A324-I388 HydrophobicContact CB-CD1 4.07Å; A324-I388 HydrophobicContact CB-CG1 4.15Å; A324-I388 HydrophobicContact CB-CG2 3.91Å
325E93.3Very high90.8Very high112 Ų11259.6 Ų59.652%0.52331%0.305SS..Hα-helixtrans-63.3-37.5176.6-78.3-57.6133.100113K321 S322 F323 M327 R328 A329K321-E325 PolarHBondContact O-N 3.15Å; S322-E325 PolarHBondContact O-N 2.72Å; F323-E325 PolarHBondContact O-N 3.25Å; E325-M327 VanDerWaalsContact C-N 3.35Å; E325-M327 PolarHBondContact O-N 2.81Å; E325-R328 WeakPolarHBondContact O-CB 3.32Å; E325-R328 PolarHBondContact O-N 3.19Å; E325-R328 IonicContact OE1-NE 2.7Å; E325-R328 PolarHBondContact OE1-NE 3.3Å; E325-R328 VanDerWaalsContact OE1-NE 3.16Å; E325-A329 PolarHBondContact O-N 2.99Å; E325-A329 VanDerWaalsContact O-N 3.11Å
326Q92.6Very high90.9Very high81 Ų8156.6 Ų56.638%0.37930%0.299SS..Hα-helixtrans-62.5-42.9172.7-67.6173.530.800111.7S322 F323 A324 R328 A329 V330S322-Q326 WeakPolarHBondContact O-CG 3.5Å; S322-Q326 PolarHBondContact O-N 3.07Å; S322-Q326 VanDerWaalsContact O-N 3.09Å; F323-Q326 WeakPolarHBondContact O-CB 2.95Å; F323-Q326 PolarHBondContact O-N 3.32Å; A324-Q326 VanDerWaalsContact C-N 3.34Å; A324-Q326 PolarHBondContact O-N 2.76Å; Q326-R328 VanDerWaalsContact C-N 3.32Å; Q326-A329 PolarHBondContact O-N 3.43Å; Q326-V330 WeakPolarHBondContact O-CG2 3.27Å; Q326-V330 PolarHBondContact O-N 2.89Å; Q326-V330 VanDerWaalsContact O-N 3.09Å
327M94.6Very high90.6Very high0 Ų058.9 Ų58.90%031%0.311CS..Hα-helixtrans-65.2-35.7175.7-71.4-58.299.300112.3F323 A324 E325 A329 V330 W331 V364 R367 F384 F387 I388F323-M327 HydrophobicContact CD1-CG 4.28Å; F323-M327 HydrophobicContact CD2-CG 4.42Å; F323-M327 HydrophobicContact CE1-CG 3.78Å; F323-M327 HydrophobicContact CE2-CE 4.05Å; F323-M327 HydrophobicContact CE2-CG 3.95Å; F323-M327 HydrophobicContact CE2-SD 4.19Å; F323-M327 HydrophobicContact CZ-CE 4.45Å; F323-M327 HydrophobicContact CZ-CG 3.6Å; F323-M327 HydrophobicContact CZ-SD 3.98Å; F323-M327 WeakPolarHBondContact O-CG 3.35Å; F323-M327 PolarHBondContact O-N 2.91Å; A324-M327 CarbonylContact O-C 3.55Å; A324-M327 WeakPolarHBondContact O-CB 3.29Å; A324-M327 PolarHBondContact O-N 3.24Å; A324-M327 VanDerWaalsContact O-N 3.15Å; E325-M327 VanDerWaalsContact C-N 3.35Å; E325-M327 PolarHBondContact O-N 2.81Å; M327-A329 VanDerWaalsContact C-N 3.31Å; M327-A329 PolarHBondContact O-N 2.98Å; M327-V330 HydrophobicContact CE-CG2 4.05Å; M327-V330 WeakPolarHBondContact O-CB 3.2Å; M327-V330 PolarHBondContact O-N 3.46Å; M327-V330 VanDerWaalsContact O-N 3.14Å; M327-W331 VanDerWaalsContact O-CD1 3.31Å; M327-W331 PolarHBondContact O-N 3.25Å; M327-V364 HydrophobicContact SD-CG2 3.52Å; M327-V364 VanDerWaalsContact SD-CG2 3.52Å; M327-R367 HydrophobicContact CE-CB 4.38Å; M327-R367 HydrophobicContact CE-CG 4.47Å; M327-F384 HydrophobicContact CB-CE2 4.18Å; M327-F384 HydrophobicContact CB-CZ 4.37Å; M327-F387 HydrophobicContact CB-CE1 4.32Å; M327-F387 HydrophobicContact CG-CE1 4.16Å; M327-F387 HydrophobicContact SD-CE1 4.11Å; M327-F387 HydrophobicContact SD-CZ 4.43Å; M327-I388 HydrophobicContact CB-CD1 3.64Å; M327-I388 HydrophobicContact CG-CD1 3.89Å
328R95.4Very high90.4Very high49 Ų4957.1 Ų57.119%0.18530%0.3CS..Hα-helixtrans-60.1-42.3174.8-160.5-177.6-67.2-76.6-0.9111A324 E325 Q326 W331 K332 I341 D343 F384A324-R328 PolarHBondContact O-N 3.38Å; E325-R328 WeakPolarHBondContact O-CB 3.32Å; E325-R328 PolarHBondContact O-N 3.19Å; E325-R328 IonicContact OE1-NE 2.7Å; E325-R328 PolarHBondContact OE1-NE 3.3Å; E325-R328 VanDerWaalsContact OE1-NE 3.16Å; Q326-R328 VanDerWaalsContact C-N 3.32Å; R328-W331 PolarHBondContact O-N 3.19Å; R328-K332 WeakPolarHBondContact O-CB 3.35Å; R328-K332 PolarHBondContact O-N 3.44Å; R328-I341 HydrophobicContact CG-CB 3.72Å; R328-I341 HydrophobicContact CG-CG2 3.97Å; R328-I341 PolarHBondContact NH1-O 2.84Å; R328-D343 IonicContact CZ-OD1 2.7Å; R328-D343 IonicContact NH1-OD1 2.79Å; R328-D343 PolarHBondContact NH1-OD1 3.39Å; R328-D343 IonicContact NH2-OD1 3.13Å; R328-D343 PolarHBondContact NH2-OD1 3.34Å; R328-F384 HydrophobicContact CB-CE1 4.37Å; R328-F384 HydrophobicContact CB-CE2 4.02Å; R328-F384 HydrophobicContact CB-CZ 3.62Å; R328-F384 HydrophobicContact CG-CE1 4.46Å; R328-F384 HydrophobicContact CG-CE2 4.39Å; R328-F384 HydrophobicContact CG-CZ 4.08Å; R328-F384 VanDerWaalsContact CZ-CE1 3.45Å
329A92.9Very high90.3Very high64 Ų6455.9 Ų55.953%0.52931%0.307SS..Hα-helixtrans-65.2-39.3174.100000112.6E325 Q326 M327 K332 S333E325-A329 PolarHBondContact O-N 2.99Å; E325-A329 VanDerWaalsContact O-N 3.11Å; Q326-A329 PolarHBondContact O-N 3.43Å; M327-A329 VanDerWaalsContact C-N 3.31Å; M327-A329 PolarHBondContact O-N 2.98Å; A329-K332 PolarHBondContact O-N 3.29Å; A329-S333 PolarHBondContact O-N 3.35Å
330V93.8Very high90.4Very high6 Ų654.4 Ų54.44%0.03630%0.3CS..Hα-helixtrans-61.8-49.8174.8173.50000110.5Q326 M327 K332 S333 I334 L360 E363Q326-V330 WeakPolarHBondContact O-CG2 3.27Å; Q326-V330 PolarHBondContact O-N 2.89Å; Q326-V330 VanDerWaalsContact O-N 3.09Å; M327-V330 HydrophobicContact CE-CG2 4.05Å; M327-V330 WeakPolarHBondContact O-CB 3.2Å; M327-V330 PolarHBondContact O-N 3.46Å; M327-V330 VanDerWaalsContact O-N 3.14Å; V330-K332 VanDerWaalsContact C-N 3.32Å; V330-K332 PolarHBondContact O-N 3.41Å; V330-S333 WeakPolarHBondContact O-CB 3.46Å; V330-S333 PolarHBondContact O-N 2.76Å; V330-S333 PolarHBondContact O-OG 3.48Å; V330-I334 HydrophobicContact CG1-CD1 3.99Å; V330-I334 WeakPolarHBondContact O-CG1 3.37Å; V330-I334 PolarHBondContact O-N 2.67Å; V330-I334 VanDerWaalsContact O-N 3.15Å; V330-L360 HydrophobicContact CG1-CD1 3.8Å; V330-E363 HydrophobicContact CG1-CB 3.75Å; V330-E363 HydrophobicContact CG1-CG 3.91Å; V330-E363 HydrophobicContact CG2-CB 4.19Å
331W95.9Very high90.6Very high0 Ų053.5 Ų53.50%030%0.296CS..Hα-helixtrans-57-44.5176.2-84.350.1000111.7M327 R328 S333 I334 L335 I341 T345 F347 L360 T382 F384 F387M327-W331 VanDerWaalsContact O-CD1 3.31Å; M327-W331 PolarHBondContact O-N 3.25Å; R328-W331 PolarHBondContact O-N 3.19Å; W331-S333 VanDerWaalsContact C-N 3.28Å; W331-S333 PolarHBondContact O-N 3.45Å; W331-I334 PolarHBondContact O-N 3.39Å; W331-I334 VanDerWaalsContact O-N 3.09Å; W331-L335 HydrophobicContact CE3-CD1 4.07Å; W331-L335 WeakPolarHBondContact O-CB 3.23Å; W331-L335 PolarHBondContact O-N 3.46Å; W331-I341 HydrophobicContact CB-CD1 4.19Å; W331-I341 HydrophobicContact CB-CG1 4Å; W331-I341 HydrophobicContact CB-CG2 4.19Å; W331-I341 HydrophobicContact CE3-CG2 4.1Å; W331-T345 WeakPolarHBondContact CZ3-O 3.45Å; W331-F347 AromaticContact CD2-CD2 3.73Å; W331-F347 HydrophobicContact CD2-CD2 3.73Å; W331-F347 HydrophobicContact CD2-CE2 4.17Å; W331-F347 AromaticContact CE2-CD2 3.82Å; W331-F347 AromaticContact CE3-CD2 3.78Å; W331-F347 HydrophobicContact CE3-CD2 3.78Å; W331-F347 HydrophobicContact CG-CD2 4.4Å; W331-F347 HydrophobicContact CG-CE2 4.4Å; W331-F347 HydrophobicContact CH2-CB 3.68Å; W331-F347 HydrophobicContact CH2-CD2 4.01Å; W331-F347 HydrophobicContact CH2-CG 4.2Å; W331-F347 HydrophobicContact CZ2-CB 4.25Å; W331-F347 AromaticContact CZ2-CD2 3.97Å; W331-F347 HydrophobicContact CZ2-CD2 3.97Å; W331-F347 HydrophobicContact CZ2-CG 4.33Å; W331-F347 HydrophobicContact CZ3-CB 3.84Å; W331-F347 AromaticContact CZ3-CD2 3.91Å; W331-F347 HydrophobicContact CZ3-CD2 3.91Å; W331-F347 HydrophobicContact CZ3-CG 4.35Å; W331-L360 HydrophobicContact CZ2-CD2 4.37Å; W331-T382 WeakPolarHBondContact CH2-O 3.28Å; W331-F384 AromaticContact CD2-CD2 3.59Å; W331-F384 HydrophobicContact CD2-CD2 3.59Å; W331-F384 HydrophobicContact CD2-CE2 4.28Å; W331-F384 AromaticContact CE2-CD2 3.82Å; W331-F384 HydrophobicContact CE3-CB 4.09Å; W331-F384 AromaticContact CE3-CD2 3.8Å; W331-F384 HydrophobicContact CE3-CD2 3.8Å; W331-F384 HydrophobicContact CE3-CG 4.44Å; W331-F384 AromaticContact CG-CD2 3.93Å; W331-F384 HydrophobicContact CG-CD2 3.93Å; W331-F384 HydrophobicContact CG-CE2 4.16Å; W331-F384 VanDerWaalsContact CH2-CA 3.44Å; W331-F384 HydrophobicContact CH2-CB 4.06Å; W331-F384 HydrophobicContact CH2-CD2 4.42Å; W331-F384 HydrophobicContact CZ2-CD2 4.25Å; W331-F384 HydrophobicContact CZ3-CB 3.78Å; W331-F384 HydrophobicContact CZ3-CD2 4.21Å; W331-F387 HydrophobicContact CH2-CB 4.37Å; W331-F387 HydrophobicContact CZ2-CB 3.74Å; W331-F387 AromaticContact CZ2-CD1 3.9Å; W331-F387 HydrophobicContact CZ2-CD1 3.9Å; W331-F387 HydrophobicContact CZ2-CD2 4.39Å; W331-F387 AromaticContact CZ2-CG 3.75Å; W331-F387 HydrophobicContact CZ2-CG 3.75Å; W331-F387 AromaticContact NE1-CD1 3.66Å; W331-F387 AromaticContact NE1-CE1 3.62Å
332K94Very high90.7Very high81 Ų8154.2 Ų54.235%0.35230%0.3SS..Hα-helixtrans-61.2-35.2176178.960.8-171.9-176.50112.9R328 A329 V330 I334 V338 S339 I341R328-K332 WeakPolarHBondContact O-CB 3.35Å; R328-K332 PolarHBondContact O-N 3.44Å; A329-K332 PolarHBondContact O-N 3.29Å; V330-K332 VanDerWaalsContact C-N 3.32Å; V330-K332 PolarHBondContact O-N 3.41Å; K332-I334 VanDerWaalsContact C-N 3.27Å; K332-I334 PolarHBondContact O-N 3.22Å; K332-V338 PolarHBondContact NZ-O 3.42Å; K332-S339 PolarHBondContact NZ-O 2.99Å; K332-I341 HydrophobicContact CB-CG1 3.9Å
333S91.3Very high90.5Very high50 Ų5054.7 Ų54.735%0.3530%0.298SS..Hα-helixtrans-74.1-17.5177.284.10000113.8A329 V330 W331 R359A329-S333 PolarHBondContact O-N 3.35Å; V330-S333 WeakPolarHBondContact O-CB 3.46Å; V330-S333 PolarHBondContact O-N 2.76Å; V330-S333 PolarHBondContact O-OG 3.48Å; W331-S333 VanDerWaalsContact C-N 3.28Å; W331-S333 PolarHBondContact O-N 3.45Å; S333-R359 PolarHBondContact O-NH1 2.83Å; S333-R359 VanDerWaalsContact O-NH1 3.15Å; S333-R359 PolarHBondContact OG-NH2 3.49Å
334I90.1Very high90.3Very high16 Ų1657.8 Ų57.88%0.08232%0.322CS..Hα-helixtrans-92.5-50.6176.5-69.5171.8000109.3V330 W331 K332 T336 F347 D356 R359 L360V330-I334 HydrophobicContact CG1-CD1 3.99Å; V330-I334 WeakPolarHBondContact O-CG1 3.37Å; V330-I334 PolarHBondContact O-N 2.67Å; V330-I334 VanDerWaalsContact O-N 3.15Å; W331-I334 PolarHBondContact O-N 3.39Å; W331-I334 VanDerWaalsContact O-N 3.09Å; K332-I334 VanDerWaalsContact C-N 3.27Å; K332-I334 PolarHBondContact O-N 3.22Å; I334-T336 VanDerWaalsContact C-N 3.33Å; I334-T336 PolarHBondContact O-N 2.85Å; I334-T336 VanDerWaalsContact O-N 3.13Å; I334-F347 HydrophobicContact CB-CE2 4.49Å; I334-F347 HydrophobicContact CD1-CE2 4.27Å; I334-F347 HydrophobicContact CD1-CZ 4.14Å; I334-F347 HydrophobicContact CG2-CE2 3.94Å; I334-F347 HydrophobicContact CG2-CZ 3.89Å; I334-D356 HydrophobicContact CG2-CB 3.58Å; I334-R359 HydrophobicContact CD1-CG 4.42Å; I334-L360 HydrophobicContact CD1-CB 4.07Å; I334-L360 HydrophobicContact CD1-CD1 4.46Å
335L89.6Confident90Very high1 Ų158.1 Ų58.11%0.00532%0.323CS..  trans-88.666.5-177.6-59.1177000110.7W331 N337 V338 I341 T345 F347 A352W331-L335 HydrophobicContact CE3-CD1 4.07Å; W331-L335 WeakPolarHBondContact O-CB 3.23Å; W331-L335 PolarHBondContact O-N 3.46Å; L335-N337 PolarHBondContact O-N 3.36Å; L335-N337 VanDerWaalsContact O-N 3.11Å; L335-V338 HydrophobicContact CB-CB 4.24Å; L335-V338 HydrophobicContact CB-CG2 3.96Å; L335-V338 HydrophobicContact CD1-CG2 4.49Å; L335-V338 PolarHBondContact O-N 3.12Å; L335-V338 VanDerWaalsContact O-N 3.08Å; L335-I341 HydrophobicContact CB-CD1 4.26Å; L335-I341 HydrophobicContact CD1-CD1 3.93Å; L335-T345 HydrophobicContact CD1-CG2 4.22Å; L335-F347 HydrophobicContact CD1-CD2 4.08Å; L335-F347 HydrophobicContact CG-CD2 4.41Å; L335-F347 HydrophobicContact CG-CE2 4.5Å; L335-A352 HydrophobicContact CD2-CB 3.9Å
336T83.5Confident89.8Confident116 Ų11653.7 Ų53.771%0.71230%0.303SS*.THydrogen-bonded Turntrans-63-20.4-173.956.20000114I334I334-T336 VanDerWaalsContact C-N 3.33Å; I334-T336 PolarHBondContact O-N 2.85Å; I334-T336 VanDerWaalsContact O-N 3.13Å
337N80.5Confident89.6Confident88 Ų8849.9 Ų49.947%0.47129%0.285SS..THydrogen-bonded Turntrans-82.9-15.817860.1-35000113.9L335 S350L335-N337 PolarHBondContact O-N 3.36Å; L335-N337 VanDerWaalsContact O-N 3.11Å; N337-S350 PolarHBondContact ND2-O 2.96Å; N337-S350 PolarHBondContact OD1-O 2.77Å; N337-S350 VanDerWaalsContact OD1-O 3.14Å
338V84.6Confident89Confident25 Ų2552.5 Ų52.515%0.15230%0.297CS..  trans-91.4128.2179.5-179.50000109.1K332 L335 Q340 I341 T345K332-V338 PolarHBondContact NZ-O 3.42Å; L335-V338 HydrophobicContact CB-CB 4.24Å; L335-V338 HydrophobicContact CB-CG2 3.96Å; L335-V338 HydrophobicContact CD1-CG2 4.49Å; L335-V338 PolarHBondContact O-N 3.12Å; L335-V338 VanDerWaalsContact O-N 3.08Å; V338-Q340 WeakPolarHBondContact CG1-O 3.41Å; V338-I341 HydrophobicContact CB-CD1 4.26Å; V338-I341 HydrophobicContact CG1-CD1 4.02Å; V338-T345 HydrophobicContact CG1-CG2 4.48Å
339S83.1Confident88.2Confident111 Ų11157.3 Ų57.378%0.77632%0.319SS*.SBendtrans-66.3-46.3-177.351.90000112.8K332K332-S339 PolarHBondContact NZ-O 2.99Å
340Q89.3Confident87.8Confident131 Ų13155.4 Ų55.461%0.61230%0.301SS*.SBendtrans-141.1137.9179179.8173.8-14.300109.3V338 E342V338-Q340 WeakPolarHBondContact CG1-O 3.41Å; Q340-E342 PolarHBondContact O-N 3.16Å
341I93.6Very high86.8Confident4 Ų456.6 Ų56.62%0.02132%0.315CS..  trans-84114.6173.7-54.1-58.9000107.5R328 W331 K332 L335 V338 T345 F384R328-I341 HydrophobicContact CG-CB 3.72Å; R328-I341 HydrophobicContact CG-CG2 3.97Å; R328-I341 PolarHBondContact NH1-O 2.84Å; W331-I341 HydrophobicContact CB-CD1 4.19Å; W331-I341 HydrophobicContact CB-CG1 4Å; W331-I341 HydrophobicContact CB-CG2 4.19Å; W331-I341 HydrophobicContact CE3-CG2 4.1Å; K332-I341 HydrophobicContact CB-CG1 3.9Å; L335-I341 HydrophobicContact CB-CD1 4.26Å; L335-I341 HydrophobicContact CD1-CD1 3.93Å; V338-I341 HydrophobicContact CB-CD1 4.26Å; V338-I341 HydrophobicContact CG1-CD1 4.02Å; I341-T345 HydrophobicContact CD1-CG2 4.11Å; I341-T345 HydrophobicContact CG2-CG2 4.41Å; I341-F384 HydrophobicContact CG2-CB 4.16Å; I341-F384 HydrophobicContact CG2-CD2 3.75Å; I341-F384 HydrophobicContact CG2-CE2 4.32Å; I341-F384 HydrophobicContact CG2-CG 3.88Å
342E91.4Very high85.9Confident112 Ų11257.2 Ų57.252%0.52332%0.32SS..  trans-98.6164.4171.4-63.3-179.8-174.200110.3Q340 S344 T345 F384Q340-E342 PolarHBondContact O-N 3.16Å; E342-S344 PolarHBondContact O-N 3.28Å; E342-T345 PolarHBondContact N-OG1 3Å; E342-T345 WeakPolarHBondContact O-CB 3.36Å; E342-T345 PolarHBondContact O-N 2.93Å; E342-T345 PolarHBondContact O-OG1 3.39Å; E342-F384 WeakPolarHBondContact O-CB 3.44Å
343D87.9Confident85Confident75 Ų7555.5 Ų55.540%0.40132%0.321SS..THydrogen-bonded Turntrans-60.5-31.9-179.8-71.5-1000112.8R328 T345 F384 Q385R328-D343 IonicContact CZ-OD1 2.7Å; R328-D343 IonicContact NH1-OD1 2.79Å; R328-D343 PolarHBondContact NH1-OD1 3.39Å; R328-D343 IonicContact NH2-OD1 3.13Å; R328-D343 PolarHBondContact NH2-OD1 3.34Å; D343-T345 VanDerWaalsContact C-N 3.32Å; D343-F384 PolarHBondContact O-N 2.84Å; D343-Q385 HydrophobicContact CB-CB 4.07Å; D343-Q385 WeakPolarHBondContact O-CB 3.37Å; D343-Q385 PolarHBondContact O-N 2.74Å
344S85.8Confident84.1Confident84 Ų8455.4 Ų55.459%0.58732%0.32SS*.THydrogen-bonded Turntrans-82.2-2.6175.1600000114.4E342 D346E342-S344 PolarHBondContact O-N 3.28Å; S344-D346 PolarHBondContact O-N 3.4Å
345T86.4Confident83.2Confident15 Ų1560 Ų609%0.09234%0.343CS..  trans-64.7121.9-177.6-62.70000109.4W331 L335 V338 I341 E342 D343 T383 F384W331-T345 WeakPolarHBondContact CZ3-O 3.45Å; L335-T345 HydrophobicContact CD1-CG2 4.22Å; V338-T345 HydrophobicContact CG1-CG2 4.48Å; I341-T345 HydrophobicContact CD1-CG2 4.11Å; I341-T345 HydrophobicContact CG2-CG2 4.41Å; E342-T345 PolarHBondContact N-OG1 3Å; E342-T345 WeakPolarHBondContact O-CB 3.36Å; E342-T345 PolarHBondContact O-N 2.93Å; E342-T345 PolarHBondContact O-OG1 3.39Å; D343-T345 VanDerWaalsContact C-N 3.32Å; T345-T383 CarbonylContact O-C 3.49Å; T345-T383 VanDerWaalsContact O-CA 3.3Å; T345-T383 WeakPolarHBondContact O-CA 3.35Å; T345-F384 PolarHBondContact O-N 2.79Å
346D89.3Confident83Confident18 Ų1861.4 Ų61.410%0.09635%0.35CS..BIsolated β-bridgetrans-92.6121177.8-178.8-64.2000110.5S344 F348 K349 S350 T382S344-D346 PolarHBondContact O-N 3.4Å; D346-F348 VanDerWaalsContact C-N 3.3Å; D346-F348 PolarHBondContact O-N 3.49Å; D346-F348 PolarHBondContact OD1-N 3.42Å; D346-K349 HydrophobicContact CB-CB 4Å; D346-K349 HydrophobicContact CB-CD 4.04Å; D346-K349 HydrophobicContact CB-CG 4.18Å; D346-K349 PolarHBondContact OD1-N 2.87Å; D346-S350 WeakPolarHBondContact O-CB 3.44Å; D346-S350 PolarHBondContact O-N 3.46Å; D346-S350 PolarHBondContact O-OG 3.24Å; D346-T382 CarbonylContact C-O 3.56Å; D346-T382 WeakPolarHBondContact CA-O 3.44Å; D346-T382 WeakPolarHBondContact OD2-CB 2.99Å; D346-T382 PolarHBondContact OD2-OG1 3.4Å
347F88.4Confident82.9Confident1 Ų155.9 Ų55.90%0.00432%0.317CS..THydrogen-bonded Turntrans-55.1-43.8-174.4-164.1-116.4000112.7W331 I334 L335 A352 D356 V357 L360 V378 T382W331-F347 AromaticContact CD2-CD2 3.73Å; W331-F347 HydrophobicContact CD2-CD2 3.73Å; W331-F347 HydrophobicContact CD2-CE2 4.17Å; W331-F347 AromaticContact CE2-CD2 3.82Å; W331-F347 AromaticContact CE3-CD2 3.78Å; W331-F347 HydrophobicContact CE3-CD2 3.78Å; W331-F347 HydrophobicContact CG-CD2 4.4Å; W331-F347 HydrophobicContact CG-CE2 4.4Å; W331-F347 HydrophobicContact CH2-CB 3.68Å; W331-F347 HydrophobicContact CH2-CD2 4.01Å; W331-F347 HydrophobicContact CH2-CG 4.2Å; W331-F347 HydrophobicContact CZ2-CB 4.25Å; W331-F347 AromaticContact CZ2-CD2 3.97Å; W331-F347 HydrophobicContact CZ2-CD2 3.97Å; W331-F347 HydrophobicContact CZ2-CG 4.33Å; W331-F347 HydrophobicContact CZ3-CB 3.84Å; W331-F347 AromaticContact CZ3-CD2 3.91Å; W331-F347 HydrophobicContact CZ3-CD2 3.91Å; W331-F347 HydrophobicContact CZ3-CG 4.35Å; I334-F347 HydrophobicContact CB-CE2 4.49Å; I334-F347 HydrophobicContact CD1-CE2 4.27Å; I334-F347 HydrophobicContact CD1-CZ 4.14Å; I334-F347 HydrophobicContact CG2-CE2 3.94Å; I334-F347 HydrophobicContact CG2-CZ 3.89Å; L335-F347 HydrophobicContact CD1-CD2 4.08Å; L335-F347 HydrophobicContact CG-CD2 4.41Å; L335-F347 HydrophobicContact CG-CE2 4.5Å; F347-A352 HydrophobicContact CD1-CB 3.45Å; F347-A352 VanDerWaalsContact CD1-CB 3.45Å; F347-A352 HydrophobicContact CD2-CB 4.22Å; F347-A352 HydrophobicContact CE1-CB 3.39Å; F347-A352 HydrophobicContact CE2-CB 4.17Å; F347-A352 HydrophobicContact CG-CB 3.88Å; F347-A352 HydrophobicContact CZ-CB 3.78Å; F347-A352 WeakPolarHBondContact O-CB 3.44Å; F347-A352 PolarHBondContact O-N 3.16Å; F347-A352 VanDerWaalsContact O-N 3.16Å; F347-D356 HydrophobicContact CE1-CB 4.32Å; F347-D356 HydrophobicContact CZ-CB 4.12Å; F347-V357 HydrophobicContact CE1-CG2 4.02Å; F347-L360 HydrophobicContact CD2-CD2 4.43Å; F347-L360 HydrophobicContact CE1-CD2 4.21Å; F347-L360 HydrophobicContact CE2-CD2 3.92Å; F347-L360 HydrophobicContact CZ-CB 4.2Å; F347-L360 HydrophobicContact CZ-CD2 3.79Å; F347-V378 HydrophobicContact CD1-CG1 4.14Å; F347-V378 HydrophobicContact CE1-CG1 4.27Å; F347-T382 WeakPolarHBondContact CB-O 3.39Å; F347-T382 PolarHBondContact N-O 3.48Å
348F82.2Confident82.8Confident56 Ų5654.9 Ų54.925%0.24631%0.313CS..THydrogen-bonded Turntrans-86.3-40.1-173.4-60.8-72.6000112.2D346 S350 G351 V357 V378 Y379 T382D346-F348 VanDerWaalsContact C-N 3.3Å; D346-F348 PolarHBondContact O-N 3.49Å; D346-F348 PolarHBondContact OD1-N 3.42Å; F348-S350 PolarHBondContact O-N 3.34Å; F348-G351 PolarHBondContact O-N 3.49Å; F348-V357 HydrophobicContact CE1-CG2 3.53Å; F348-V357 HydrophobicContact CZ-CG2 3.68Å; F348-V378 HydrophobicContact CZ-CG1 4.25Å; F348-Y379 HydrophobicContact CD1-CE1 4.44Å; F348-Y379 AromaticContact CE1-CD1 3.76Å; F348-Y379 HydrophobicContact CE1-CD1 3.76Å; F348-Y379 AromaticContact CE1-CE1 3.47Å; F348-Y379 HydrophobicContact CE1-CE1 3.47Å; F348-Y379 VanDerWaalsContact CE1-CE1 3.47Å; F348-Y379 AromaticContact CE2-CD1 3.82Å; F348-Y379 HydrophobicContact CE2-CD1 3.82Å; F348-Y379 HydrophobicContact CE2-CE1 4.39Å; F348-Y379 AromaticContact CZ-CD1 3.25Å; F348-Y379 HydrophobicContact CZ-CD1 3.25Å; F348-Y379 AromaticContact CZ-CE1 3.44Å; F348-Y379 HydrophobicContact CZ-CE1 3.44Å; F348-Y379 VanDerWaalsContact CZ-CE1 3.44Å; F348-Y379 HydrophobicContact CZ-CG 4.06Å; F348-T382 HydrophobicContact CD2-CG2 3.7Å; F348-T382 HydrophobicContact CE2-CG2 3.87Å
349K79.2Confident83Confident150 Ų15058.4 Ų58.465%0.65232%0.324SS*.THydrogen-bonded Turntrans-63.9-28.5174.1-65.8178-175.4168.40111.6D296 D346 G351D296-K349 WeakPolarHBondContact O-CE 3.19Å; D296-K349 PolarHBondContact O-NZ 3.24Å; D346-K349 HydrophobicContact CB-CB 4Å; D346-K349 HydrophobicContact CB-CD 4.04Å; D346-K349 HydrophobicContact CB-CG 4.18Å; D346-K349 PolarHBondContact OD1-N 2.87Å; K349-G351 PolarHBondContact O-N 3.42Å
350S83.4Confident83.4Confident23 Ų2353.1 Ų53.116%0.16129%0.287CS..THydrogen-bonded Turntrans-77.71.4171.9-67.80000114.3N337 D346 F348N337-S350 PolarHBondContact ND2-O 2.96Å; N337-S350 PolarHBondContact OD1-O 2.77Å; N337-S350 VanDerWaalsContact OD1-O 3.14Å; D346-S350 WeakPolarHBondContact O-CB 3.44Å; D346-S350 PolarHBondContact O-N 3.46Å; D346-S350 PolarHBondContact O-OG 3.24Å; F348-S350 PolarHBondContact O-N 3.34Å
351G73.3Confident83.3Confident31 Ų3147.6 Ų47.632%0.3226%0.262SS..THydrogen-bonded Turntrans99.513.8169.700000115.8K38 F348 K349K38-G351 PolarHBondContact NZ-O 2.7Å; F348-G351 PolarHBondContact O-N 3.49Å; K349-G351 PolarHBondContact O-N 3.42Å
352A78.1Confident82.9Confident13 Ų1351.7 Ų51.711%0.10728%0.281CS..  trans-66.7142.6169.400000111.8L335 F347 D356L335-A352 HydrophobicContact CD2-CB 3.9Å; F347-A352 HydrophobicContact CD1-CB 3.45Å; F347-A352 VanDerWaalsContact CD1-CB 3.45Å; F347-A352 HydrophobicContact CD2-CB 4.22Å; F347-A352 HydrophobicContact CE1-CB 3.39Å; F347-A352 HydrophobicContact CE2-CB 4.17Å; F347-A352 HydrophobicContact CG-CB 3.88Å; F347-A352 HydrophobicContact CZ-CB 3.78Å; F347-A352 WeakPolarHBondContact O-CB 3.44Å; F347-A352 PolarHBondContact O-N 3.16Å; F347-A352 VanDerWaalsContact O-N 3.16Å; A352-D356 HydrophobicContact CB-CB 4Å
353A75.1Confident82.9Confident46 Ų4648.2 Ų48.238%0.3827%0.265SS..  trans-111.9174.9175.300000111.4M355 D356 V357A353-M355 PolarHBondContact O-N 3.33Å; A353-M355 VanDerWaalsContact O-N 3.09Å; A353-D356 PolarHBondContact N-OD2 3.12Å; A353-D356 WeakPolarHBondContact O-CA 3.34Å; A353-D356 VanDerWaalsContact O-CB 3.27Å; A353-D356 WeakPolarHBondContact O-CB 3.38Å; A353-D356 PolarHBondContact O-N 3.48Å; A353-V357 PolarHBondContact O-N 3.13Å
354S72.1Confident82.9Confident47 Ų4744.7 Ų44.733%0.32925%0.246SC..Hα-helixtrans-59.7-25.4-178.3-58.30000115D356 V358 Y379S354-D356 VanDerWaalsContact C-N 3.34Å; S354-V358 PolarHBondContact O-N 3.32Å; S354-Y379 PolarHBondContact OG-OH 3.07Å; S354-Y379 VanDerWaalsContact OG-OH 3.09Å
355M70.8Confident82.9Confident113 Ų11346.1 Ų46.156%0.55724%0.242SC*.Hα-helixtrans-71.6-32.2173.2-70.1-161.5-55.700112.2L10 A353 V357 V358 R359L10-M355 HydrophobicContact CD1-CE 3.46Å; L10-M355 VanDerWaalsContact CD1-CE 3.46Å; L10-M355 HydrophobicContact CD1-CG 4.17Å; L10-M355 HydrophobicContact CD1-SD 3.63Å; L10-M355 HydrophobicContact CD2-CE 3.39Å; L10-M355 HydrophobicContact CD2-SD 4.31Å; L10-M355 HydrophobicContact CG-CE 4.04Å; A353-M355 PolarHBondContact O-N 3.33Å; A353-M355 VanDerWaalsContact O-N 3.09Å; M355-V357 VanDerWaalsContact C-N 3.3Å; M355-V358 PolarHBondContact O-N 2.99Å; M355-R359 PolarHBondContact O-N 2.9Å
356D85.9Confident82.9Confident30 Ų3052 Ų5216%0.1627%0.272CS..Hα-helixtrans-69-32.7177.2-60.2-46.9000111K38 I334 F347 A352 A353 S354 R359 L360K38-D356 IonicContact NZ-OD2 3.73Å; I334-D356 HydrophobicContact CG2-CB 3.58Å; F347-D356 HydrophobicContact CE1-CB 4.32Å; F347-D356 HydrophobicContact CZ-CB 4.12Å; A352-D356 HydrophobicContact CB-CB 4Å; A353-D356 PolarHBondContact N-OD2 3.12Å; A353-D356 WeakPolarHBondContact O-CA 3.34Å; A353-D356 VanDerWaalsContact O-CB 3.27Å; A353-D356 WeakPolarHBondContact O-CB 3.38Å; A353-D356 PolarHBondContact O-N 3.48Å; S354-D356 VanDerWaalsContact C-N 3.34Å; D356-R359 PolarHBondContact O-N 3.07Å; D356-L360 WeakPolarHBondContact O-CB 3.34Å; D356-L360 PolarHBondContact O-N 3.06Å
357V81.4Confident82.7Confident1 Ų156 Ų561%0.00629%0.286CS..Hα-helixtrans-61-48.8170.3176.50000111F347 F348 A353 M355 R359 L360 V361 N375 V378 Y379F347-V357 HydrophobicContact CE1-CG2 4.02Å; F348-V357 HydrophobicContact CE1-CG2 3.53Å; F348-V357 HydrophobicContact CZ-CG2 3.68Å; A353-V357 PolarHBondContact O-N 3.13Å; M355-V357 VanDerWaalsContact C-N 3.3Å; V357-R359 VanDerWaalsContact C-N 3.3Å; V357-R359 PolarHBondContact O-N 3.47Å; V357-L360 PolarHBondContact O-N 2.81Å; V357-V361 HydrophobicContact CG1-CG2 4.46Å; V357-V361 WeakPolarHBondContact O-CG2 3.33Å; V357-V361 PolarHBondContact O-N 3.03Å; V357-N375 HydrophobicContact CG1-CB 4.1Å; V357-V378 HydrophobicContact CG1-CB 3.84Å; V357-V378 HydrophobicContact CG1-CG1 4.11Å; V357-V378 HydrophobicContact CG1-CG2 4.05Å; V357-V378 HydrophobicContact CG2-CG1 4.19Å; V357-Y379 HydrophobicContact CG1-CE2 4.23Å; V357-Y379 HydrophobicContact CG2-CE1 4.23Å; V357-Y379 HydrophobicContact CG2-CE2 4.47Å
358V77.3Confident82.5Confident66 Ų6656.6 Ų56.640%0.429%0.29SS..Hα-helixtrans-61.2-42.6178.5177.90000110.6S354 M355 V361 E362S354-V358 PolarHBondContact O-N 3.32Å; M355-V358 PolarHBondContact O-N 2.99Å; V358-V361 PolarHBondContact O-N 3.44Å; V358-E362 PolarHBondContact O-N 3.43Å; V358-E362 VanDerWaalsContact O-N 3.08Å
359R89.1Confident82.2Confident99 Ų9958.7 Ų58.737%0.37431%0.312SS..Hα-helixtrans-59.8-47.4174.8-178.9178.3174.2-151.5-8.3111.3S333 I334 M355 D356 V357 V361 E362 E363S333-R359 PolarHBondContact O-NH1 2.83Å; S333-R359 VanDerWaalsContact O-NH1 3.15Å; S333-R359 PolarHBondContact OG-NH2 3.49Å; I334-R359 HydrophobicContact CD1-CG 4.42Å; M355-R359 PolarHBondContact O-N 2.9Å; D356-R359 PolarHBondContact O-N 3.07Å; V357-R359 VanDerWaalsContact C-N 3.3Å; V357-R359 PolarHBondContact O-N 3.47Å; R359-V361 PolarHBondContact O-N 2.84Å; R359-E362 PolarHBondContact O-N 2.96Å; R359-E363 HydrophobicContact CG-CG 4.23Å; R359-E363 IonicContact NE-OE1 3.39Å; R359-E363 WeakPolarHBondContact O-CB 3.49Å; R359-E363 WeakPolarHBondContact O-CG 3.16Å; R359-E363 PolarHBondContact O-N 3.2Å
360L91.9Very high82Confident0 Ų055 Ų550%031%0.31CS..Hα-helixtrans-61.1-44.9179.8-179.960.1000111.7V330 W331 I334 F347 D356 V357 E362 E363 V364 V378 F387V330-L360 HydrophobicContact CG1-CD1 3.8Å; W331-L360 HydrophobicContact CZ2-CD2 4.37Å; I334-L360 HydrophobicContact CD1-CB 4.07Å; I334-L360 HydrophobicContact CD1-CD1 4.46Å; F347-L360 HydrophobicContact CD2-CD2 4.43Å; F347-L360 HydrophobicContact CE1-CD2 4.21Å; F347-L360 HydrophobicContact CE2-CD2 3.92Å; F347-L360 HydrophobicContact CZ-CB 4.2Å; F347-L360 HydrophobicContact CZ-CD2 3.79Å; D356-L360 WeakPolarHBondContact O-CB 3.34Å; D356-L360 PolarHBondContact O-N 3.06Å; V357-L360 PolarHBondContact O-N 2.81Å; L360-E362 PolarHBondContact O-N 2.96Å; L360-E363 PolarHBondContact O-N 3.28Å; L360-V364 WeakPolarHBondContact O-CG2 3.43Å; L360-V364 PolarHBondContact O-N 2.84Å; L360-V378 HydrophobicContact CD2-CG1 3.92Å; L360-V378 HydrophobicContact CD2-CG2 4.41Å; L360-F387 HydrophobicContact CD1-CE1 4.32Å; L360-F387 HydrophobicContact CD1-CZ 3.91Å; L360-F387 HydrophobicContact CD2-CD2 4.4Å; L360-F387 HydrophobicContact CD2-CE2 3.84Å; L360-F387 HydrophobicContact CD2-CZ 3.89Å; L360-F387 HydrophobicContact CG-CE2 4.18Å; L360-F387 HydrophobicContact CG-CZ 3.9Å
361V86.5Confident81.8Confident15 Ų1554 Ų549%0.09130%0.303CS..Hα-helixtrans-58.8-45.2176.8168.70000111.4V357 V358 R359 V364 K365 L373 V378V357-V361 HydrophobicContact CG1-CG2 4.46Å; V357-V361 WeakPolarHBondContact O-CG2 3.33Å; V357-V361 PolarHBondContact O-N 3.03Å; V358-V361 PolarHBondContact O-N 3.44Å; R359-V361 PolarHBondContact O-N 2.84Å; V361-V364 PolarHBondContact O-N 2.81Å; V361-K365 WeakPolarHBondContact O-CB 3.32Å; V361-K365 PolarHBondContact O-N 3.4Å; V361-L373 HydrophobicContact CG1-CB 4.13Å; V361-L373 HydrophobicContact CG2-CB 4.25Å; V361-V378 HydrophobicContact CG2-CG2 3.83Å
362E85.6Confident82Confident90 Ų9058.6 Ų58.642%0.42132%0.316SS..Hα-helixtrans-68.8-36.5177.5-70-63.4147.100112.5V358 R359 L360 V364 K365 L366V358-E362 PolarHBondContact O-N 3.43Å; V358-E362 VanDerWaalsContact O-N 3.08Å; R359-E362 PolarHBondContact O-N 2.96Å; L360-E362 PolarHBondContact O-N 2.96Å; E362-V364 PolarHBondContact O-N 3.46Å; E362-K365 PolarHBondContact O-N 3.26Å; E362-K365 IonicContact OE1-NZ 3.33Å; E362-K365 IonicContact OE2-NZ 3.91Å; E362-L366 WeakPolarHBondContact O-CB 3.33Å; E362-L366 VanDerWaalsContact O-CG 3.3Å; E362-L366 WeakPolarHBondContact O-CG 3.41Å; E362-L366 PolarHBondContact O-N 3.34Å
363E91.1Very high82Confident40 Ų4058.7 Ų58.719%0.18731%0.314CS..Hα-helixtrans-66.4-35.4176.3-68.2-86-170.700112.3V330 R359 L360 R367V330-E363 HydrophobicContact CG1-CB 3.75Å; V330-E363 HydrophobicContact CG1-CG 3.91Å; V330-E363 HydrophobicContact CG2-CB 4.19Å; R359-E363 HydrophobicContact CG-CG 4.23Å; R359-E363 IonicContact NE-OE1 3.39Å; R359-E363 WeakPolarHBondContact O-CB 3.49Å; R359-E363 WeakPolarHBondContact O-CG 3.16Å; R359-E363 PolarHBondContact O-N 3.2Å; L360-E363 PolarHBondContact O-N 3.28Å; E363-R367 PolarHBondContact O-N 3.23Å; E363-R367 PolarHBondContact O-NH1 3.11Å; E363-R367 IonicContact OE2-CZ 3.68Å; E363-R367 VanDerWaalsContact OE2-CZ 3.26Å; E363-R367 IonicContact OE2-NH1 2.7Å; E363-R367 PolarHBondContact OE2-NH1 2.92Å; E363-R367 IonicContact OE2-NH2 3.03Å; E363-R367 PolarHBondContact OE2-NH2 3.03Å
364V88.9Confident82Confident0 Ų061.9 Ų61.90%032%0.322CS..Hα-helixtrans-65.1-50.5171.1173.40000109.8F323 M327 L360 V361 E362 L366 R367 A368 C371 L373 F387F323-V364 HydrophobicContact CZ-CG1 4.26Å; M327-V364 HydrophobicContact SD-CG2 3.52Å; M327-V364 VanDerWaalsContact SD-CG2 3.52Å; L360-V364 WeakPolarHBondContact O-CG2 3.43Å; L360-V364 PolarHBondContact O-N 2.84Å; V361-V364 PolarHBondContact O-N 2.81Å; E362-V364 PolarHBondContact O-N 3.46Å; V364-L366 PolarHBondContact O-N 2.84Å; V364-R367 CarbonylContact O-C 3.56Å; V364-R367 PolarHBondContact O-N 3.11Å; V364-A368 HydrophobicContact CG1-CB 4.48Å; V364-A368 WeakPolarHBondContact O-CA 3.21Å; V364-A368 PolarHBondContact O-N 2.8Å; V364-C371 HydrophobicContact CG1-CB 4.06Å; V364-L373 HydrophobicContact CB-CD1 3.68Å; V364-L373 HydrophobicContact CG1-CD1 3.55Å; V364-L373 HydrophobicContact CG1-CG 4.23Å; V364-L373 HydrophobicContact CG2-CD1 3.59Å; V364-F387 HydrophobicContact CG2-CE1 4.43Å; V364-F387 HydrophobicContact CG2-CE2 4.48Å; V364-F387 HydrophobicContact CG2-CZ 3.61Å
365K85.6Confident82.2Confident115 Ų11562.5 Ų62.550%0.532%0.321SS..Hα-helixtrans-57.9-35-179.7-175.6-177.9176.5-171.50112.9V361 E362 S369V361-K365 WeakPolarHBondContact O-CB 3.32Å; V361-K365 PolarHBondContact O-N 3.4Å; E362-K365 PolarHBondContact O-N 3.26Å; E362-K365 IonicContact OE1-NZ 3.33Å; E362-K365 IonicContact OE2-NZ 3.91Å; K365-S369 WeakPolarHBondContact O-CA 3.48Å; K365-S369 PolarHBondContact O-N 3.22Å
366L85.1Confident82.1Confident137 Ų13762.3 Ų62.372%0.71732%0.319SS*.Hα-helixtrans-66.5-33.4175-77.9169.3000113.2E362 V364E362-L366 WeakPolarHBondContact O-CB 3.33Å; E362-L366 VanDerWaalsContact O-CG 3.3Å; E362-L366 WeakPolarHBondContact O-CG 3.41Å; E362-L366 PolarHBondContact O-N 3.34Å; V364-L366 PolarHBondContact O-N 2.84Å
367R86.1Confident81.7Confident104 Ų10462.3 Ų62.339%0.39232%0.319SS..Hα-helixtrans-97.4-26.8-176.7-73.5169.1-173.573.8-4.4113.6M327 E363 V364M327-R367 HydrophobicContact CE-CB 4.38Å; M327-R367 HydrophobicContact CE-CG 4.47Å; E363-R367 PolarHBondContact O-N 3.23Å; E363-R367 PolarHBondContact O-NH1 3.11Å; E363-R367 IonicContact OE2-CZ 3.68Å; E363-R367 VanDerWaalsContact OE2-CZ 3.26Å; E363-R367 IonicContact OE2-NH1 2.7Å; E363-R367 PolarHBondContact OE2-NH1 2.92Å; E363-R367 IonicContact OE2-NH2 3.03Å; E363-R367 PolarHBondContact OE2-NH2 3.03Å; V364-R367 CarbonylContact O-C 3.56Å; V364-R367 PolarHBondContact O-N 3.11Å
368A83.9Confident81.9Confident12 Ų1262.2 Ų62.210%0.09932%0.319CS..  trans-144.574.1-173.200000109.1F323 V364 A370 C371 L395F323-A368 HydrophobicContact CD2-CB 4.21Å; F323-A368 HydrophobicContact CE2-CB 3.61Å; F323-A368 HydrophobicContact CZ-CB 4.26Å; V364-A368 HydrophobicContact CG1-CB 4.48Å; V364-A368 WeakPolarHBondContact O-CA 3.21Å; V364-A368 PolarHBondContact O-N 2.8Å; A368-A370 PolarHBondContact O-N 3.37Å; A368-A370 VanDerWaalsContact O-N 3.15Å; A368-C371 HydrophobicContact CB-CB 4.09Å; A368-C371 WeakPolarHBondContact O-CB 3.47Å; A368-C371 PolarHBondContact O-N 3.07Å; A368-L395 HydrophobicContact CB-CD1 4.35Å; A368-L395 HydrophobicContact CB-CD2 4.21Å
369S76.2Confident81.7Confident100 Ų10060.6 Ų60.670%0.69931%0.305SS*.THydrogen-bonded Turntrans-63-21.9-174.458.70000114.4K365 C371K365-S369 WeakPolarHBondContact O-CA 3.48Å; K365-S369 PolarHBondContact O-N 3.22Å; S369-C371 VanDerWaalsContact C-N 3.35Å
370A73.8Confident80.9Confident74 Ų7457.2 Ų57.261%0.61229%0.294SS*.THydrogen-bonded Turntrans-73.9-24.2172.600000112.9A368 Q372 L395A368-A370 PolarHBondContact O-N 3.37Å; A368-A370 VanDerWaalsContact O-N 3.15Å; A370-Q372 PolarHBondContact O-N 3.09Å; A370-Q372 VanDerWaalsContact O-N 3.11Å; A370-L395 HydrophobicContact CB-CD2 4.1Å
371C80Confident80.5Confident2 Ų258.9 Ų58.91%0.01430%0.303CS..  trans-79.892.6175.4-168.60000109.6V364 A368 S369 L373 L395V364-C371 HydrophobicContact CG1-CB 4.06Å; A368-C371 HydrophobicContact CB-CB 4.09Å; A368-C371 WeakPolarHBondContact O-CB 3.47Å; A368-C371 PolarHBondContact O-N 3.07Å; S369-C371 VanDerWaalsContact C-N 3.35Å; C371-L373 PolarHBondContact O-N 3.19Å; C371-L395 HydrophobicContact CB-CD2 3.8Å; C371-L395 HydrophobicContact CB-CG 3.92Å
372Q76.6Confident80.4Confident127 Ų12758.7 Ų58.759%0.59330%0.302SS*.  trans-80.999.9176.1-65.1-170.312.100110.2A370A370-Q372 PolarHBondContact O-N 3.09Å; A370-Q372 VanDerWaalsContact O-N 3.11Å
373L78.9Confident80.5Confident14 Ų1455.8 Ų55.87%0.07329%0.291CS..  trans-94.5136.9174.5-68.5177.9000112V361 V364 C371 D377 F387 M390 K394V361-L373 HydrophobicContact CG1-CB 4.13Å; V361-L373 HydrophobicContact CG2-CB 4.25Å; V364-L373 HydrophobicContact CB-CD1 3.68Å; V364-L373 HydrophobicContact CG1-CD1 3.55Å; V364-L373 HydrophobicContact CG1-CG 4.23Å; V364-L373 HydrophobicContact CG2-CD1 3.59Å; C371-L373 PolarHBondContact O-N 3.19Å; L373-D377 WeakPolarHBondContact CA-OD2 3.26Å; L373-D377 HydrophobicContact CD2-CB 3.91Å; L373-F387 HydrophobicContact CD1-CE2 4.14Å; L373-F387 HydrophobicContact CD1-CZ 4.4Å; L373-M390 HydrophobicContact CD2-CE 3.56Å; L373-M390 HydrophobicContact CD2-SD 3.37Å; L373-M390 WeakPolarHBondContact CD2-SD 3.19Å; L373-K394 HydrophobicContact CD2-CD 3.84Å
374Q75.6Confident80.6Confident113 Ų11354 Ų5453%0.52828%0.282SS..  trans-95.7164.2159.9-59.3-54.6-49.300110.1E376 D377Q374-E376 PolarHBondContact O-N 2.89Å; Q374-D377 PolarHBondContact N-OD2 2.86Å; Q374-D377 WeakPolarHBondContact O-CB 3.43Å; Q374-D377 PolarHBondContact O-N 2.94Å
375N75.1Confident80.5Confident61 Ų6158.1 Ų58.133%0.32630%0.301SS..Hα-helixtrans-62.2-34.6175.4-69.8-29.4000111.5V357 D377 V378 Y379V357-N375 HydrophobicContact CG1-CB 4.1Å; N375-D377 VanDerWaalsContact C-N 3.3Å; N375-D377 PolarHBondContact O-N 2.75Å; N375-V378 PolarHBondContact O-N 2.96Å; N375-Y379 HydrophobicContact CB-CE2 4.27Å; N375-Y379 WeakPolarHBondContact O-CD2 3.36Å; N375-Y379 PolarHBondContact O-N 3.24Å
376E69.2Low80.4Confident108 Ų10855.5 Ų55.551%0.50529%0.293SS..Hα-helixtrans-57-42.5176.8-70.189.3-149.500111.7Q374 V378 Y379 M380Q374-E376 PolarHBondContact O-N 2.89Å; E376-V378 PolarHBondContact O-N 2.91Å; E376-V378 VanDerWaalsContact O-N 3.12Å; E376-Y379 CarbonylContact O-C 3.53Å; E376-Y379 WeakPolarHBondContact O-CA 3.2Å; E376-Y379 WeakPolarHBondContact O-CB 3.48Å; E376-Y379 PolarHBondContact O-N 3.02Å; E376-M380 VanDerWaalsContact O-CG 3.27Å; E376-M380 WeakPolarHBondContact O-CG 3.36Å; E376-M380 PolarHBondContact O-N 3.12Å
377D78.7Confident80.7Confident30 Ų3049 Ų4916%0.1626%0.259CS..Hα-helixtrans-54-38.7-177.7-63-43.5000112.4L373 Q374 N375 M380 N381 M390 K394L373-D377 WeakPolarHBondContact CA-OD2 3.26Å; L373-D377 HydrophobicContact CD2-CB 3.91Å; Q374-D377 PolarHBondContact N-OD2 2.86Å; Q374-D377 WeakPolarHBondContact O-CB 3.43Å; Q374-D377 PolarHBondContact O-N 2.94Å; N375-D377 VanDerWaalsContact C-N 3.3Å; N375-D377 PolarHBondContact O-N 2.75Å; D377-M380 PolarHBondContact O-N 3.41Å; D377-N381 PolarHBondContact O-N 2.96Å; D377-N381 VanDerWaalsContact O-N 3.16Å; D377-N381 PolarHBondContact O-ND2 3.36Å; D377-M390 HydrophobicContact CB-CE 4Å; D377-M390 HydrophobicContact CB-SD 4.18Å; D377-K394 IonicContact OD1-NZ 2.79Å; D377-K394 PolarHBondContact OD1-NZ 3.37Å; D377-K394 WeakPolarHBondContact OD2-CE 3.38Å; D377-K394 IonicContact OD2-NZ 2.63Å; D377-K394 PolarHBondContact OD2-NZ 3.21Å
378V84Confident81Confident0 Ų044.2 Ų44.20%024%0.241CC..Hα-helixtrans-71.5-35.5177.1-175.50000111.8F347 F348 V357 L360 V361 N375 E376 M380 N381 F387F347-V378 HydrophobicContact CD1-CG1 4.14Å; F347-V378 HydrophobicContact CE1-CG1 4.27Å; F348-V378 HydrophobicContact CZ-CG1 4.25Å; V357-V378 HydrophobicContact CG1-CB 3.84Å; V357-V378 HydrophobicContact CG1-CG1 4.11Å; V357-V378 HydrophobicContact CG1-CG2 4.05Å; V357-V378 HydrophobicContact CG2-CG1 4.19Å; L360-V378 HydrophobicContact CD2-CG1 3.92Å; L360-V378 HydrophobicContact CD2-CG2 4.41Å; V361-V378 HydrophobicContact CG2-CG2 3.83Å; N375-V378 PolarHBondContact O-N 2.96Å; E376-V378 PolarHBondContact O-N 2.91Å; E376-V378 VanDerWaalsContact O-N 3.12Å; V378-M380 VanDerWaalsContact C-N 3.29Å; V378-M380 PolarHBondContact O-N 2.67Å; V378-N381 CarbonylContact O-C 3.6Å; V378-N381 PolarHBondContact O-N 3.25Å; V378-F387 HydrophobicContact CG2-CE2 4.26Å
379Y74.3Confident81.1Confident31 Ų3144.7 Ų44.712%0.12224%0.241CC..Hα-helixtrans-68.9-28.5174.9-68.2-71.1000112.4K229 M299 F348 S354 V357 N375 E376 T382K229-Y379 VanDerWaalsContact NZ-CD2 3.34Å; K229-Y379 VanDerWaalsContact NZ-CE2 3.34Å; M299-Y379 WeakPolarHBondContact CB-O 3.38Å; F348-Y379 HydrophobicContact CD1-CE1 4.44Å; F348-Y379 AromaticContact CE1-CD1 3.76Å; F348-Y379 HydrophobicContact CE1-CD1 3.76Å; F348-Y379 AromaticContact CE1-CE1 3.47Å; F348-Y379 HydrophobicContact CE1-CE1 3.47Å; F348-Y379 VanDerWaalsContact CE1-CE1 3.47Å; F348-Y379 AromaticContact CE2-CD1 3.82Å; F348-Y379 HydrophobicContact CE2-CD1 3.82Å; F348-Y379 HydrophobicContact CE2-CE1 4.39Å; F348-Y379 AromaticContact CZ-CD1 3.25Å; F348-Y379 HydrophobicContact CZ-CD1 3.25Å; F348-Y379 AromaticContact CZ-CE1 3.44Å; F348-Y379 HydrophobicContact CZ-CE1 3.44Å; F348-Y379 VanDerWaalsContact CZ-CE1 3.44Å; F348-Y379 HydrophobicContact CZ-CG 4.06Å; S354-Y379 PolarHBondContact OG-OH 3.07Å; S354-Y379 VanDerWaalsContact OG-OH 3.09Å; V357-Y379 HydrophobicContact CG1-CE2 4.23Å; V357-Y379 HydrophobicContact CG2-CE1 4.23Å; V357-Y379 HydrophobicContact CG2-CE2 4.47Å; N375-Y379 HydrophobicContact CB-CE2 4.27Å; N375-Y379 WeakPolarHBondContact O-CD2 3.36Å; N375-Y379 PolarHBondContact O-N 3.24Å; E376-Y379 CarbonylContact O-C 3.53Å; E376-Y379 WeakPolarHBondContact O-CA 3.2Å; E376-Y379 WeakPolarHBondContact O-CB 3.48Å; E376-Y379 PolarHBondContact O-N 3.02Å; Y379-T382 VanDerWaalsContact O-CG2 3.29Å; Y379-T382 WeakPolarHBondContact O-CG2 3.47Å
380M72.8Confident81.6Confident29 Ų2940.3 Ų40.314%0.14321%0.21CC..Hα-helixtrans-81.4-25177.9-48.1-42-93.800113N291 M299 I300 P301 E376 D377 V378N291-M380 WeakPolarHBondContact OD1-CE 3.29Å; M299-M380 HydrophobicContact CB-CE 4.34Å; M299-M380 HydrophobicContact CB-SD 3.88Å; M299-M380 HydrophobicContact CG-CE 3.86Å; M299-M380 HydrophobicContact CG-SD 3.52Å; M299-M380 VanDerWaalsContact CG-SD 3.52Å; M299-M380 HydrophobicContact SD-SD 3.75Å; I300-M380 WeakPolarHBondContact O-CE 3.44Å; P301-M380 HydrophobicContact CG-CE 3.9Å; E376-M380 VanDerWaalsContact O-CG 3.27Å; E376-M380 WeakPolarHBondContact O-CG 3.36Å; E376-M380 PolarHBondContact O-N 3.12Å; D377-M380 PolarHBondContact O-N 3.41Å; V378-M380 VanDerWaalsContact C-N 3.29Å; V378-M380 PolarHBondContact O-N 2.67Å
381N82Confident82.3Confident34 Ų3436.8 Ų36.818%0.18218%0.181CC..  trans-120.470.4-175.4-61.7-82.2000109.3D377 V378 D386 F387 M390D377-N381 PolarHBondContact O-N 2.96Å; D377-N381 VanDerWaalsContact O-N 3.16Å; D377-N381 PolarHBondContact O-ND2 3.36Å; V378-N381 CarbonylContact O-C 3.6Å; V378-N381 PolarHBondContact O-N 3.25Å; N381-D386 HydrophobicContact CB-CB 3.98Å; N381-D386 PolarHBondContact OD1-O 3.06Å; N381-F387 HydrophobicContact CB-CB 4.36Å; N381-M390 HydrophobicContact CB-CB 4.49Å; N381-M390 HydrophobicContact CB-CE 4.35Å; N381-M390 WeakPolarHBondContact ND2-CG 3.38Å
382T85.5Confident82.7Confident11 Ų1136.7 Ų36.77%0.06718%0.18CC..  trans-74.6-27-170.167.60000113W331 D346 F347 F348 Y379W331-T382 WeakPolarHBondContact CH2-O 3.28Å; D346-T382 CarbonylContact C-O 3.56Å; D346-T382 WeakPolarHBondContact CA-O 3.44Å; D346-T382 WeakPolarHBondContact OD2-CB 2.99Å; D346-T382 PolarHBondContact OD2-OG1 3.4Å; F347-T382 WeakPolarHBondContact CB-O 3.39Å; F347-T382 PolarHBondContact N-O 3.48Å; F348-T382 HydrophobicContact CD2-CG2 3.7Å; F348-T382 HydrophobicContact CE2-CG2 3.87Å; Y379-T382 VanDerWaalsContact O-CG2 3.29Å; Y379-T382 WeakPolarHBondContact O-CG2 3.47Å
383T88Confident82.8Confident30 Ų3033.1 Ų33.118%0.18416%0.161CC..BIsolated β-bridgetrans-84.3151.2176.774.60000111.1T345 Q385 D386 F387T345-T383 CarbonylContact O-C 3.49Å; T345-T383 VanDerWaalsContact O-CA 3.3Å; T345-T383 WeakPolarHBondContact O-CA 3.35Å; T383-Q385 VanDerWaalsContact C-N 3.25Å; T383-Q385 PolarHBondContact O-N 3.45Å; T383-D386 PolarHBondContact O-N 2.83Å; T383-D386 WeakPolarHBondContact OG1-CB 3.49Å; T383-D386 PolarHBondContact OG1-N 3.31Å; T383-D386 VanDerWaalsContact OG1-N 3.16Å; T383-D386 PolarHBondContact OG1-OD2 3.32Å; T383-F387 WeakPolarHBondContact O-CB 3.17Å; T383-F387 PolarHBondContact O-N 2.97Å
384F91.5Very high82.9Confident2 Ų234.6 Ų34.61%0.00917%0.167CC..Hα-helixtrans-57.4-42.4178.1-176-99.2000111.7A324 M327 R328 W331 I341 E342 D343 T345 F387 I388A324-F384 WeakPolarHBondContact O-CZ 3.21Å; M327-F384 HydrophobicContact CB-CE2 4.18Å; M327-F384 HydrophobicContact CB-CZ 4.37Å; R328-F384 HydrophobicContact CB-CE1 4.37Å; R328-F384 HydrophobicContact CB-CE2 4.02Å; R328-F384 HydrophobicContact CB-CZ 3.62Å; R328-F384 HydrophobicContact CG-CE1 4.46Å; R328-F384 HydrophobicContact CG-CE2 4.39Å; R328-F384 HydrophobicContact CG-CZ 4.08Å; R328-F384 VanDerWaalsContact CZ-CE1 3.45Å; W331-F384 AromaticContact CD2-CD2 3.59Å; W331-F384 HydrophobicContact CD2-CD2 3.59Å; W331-F384 HydrophobicContact CD2-CE2 4.28Å; W331-F384 AromaticContact CE2-CD2 3.82Å; W331-F384 HydrophobicContact CE3-CB 4.09Å; W331-F384 AromaticContact CE3-CD2 3.8Å; W331-F384 HydrophobicContact CE3-CD2 3.8Å; W331-F384 HydrophobicContact CE3-CG 4.44Å; W331-F384 AromaticContact CG-CD2 3.93Å; W331-F384 HydrophobicContact CG-CD2 3.93Å; W331-F384 HydrophobicContact CG-CE2 4.16Å; W331-F384 VanDerWaalsContact CH2-CA 3.44Å; W331-F384 HydrophobicContact CH2-CB 4.06Å; W331-F384 HydrophobicContact CH2-CD2 4.42Å; W331-F384 HydrophobicContact CZ2-CD2 4.25Å; W331-F384 HydrophobicContact CZ3-CB 3.78Å; W331-F384 HydrophobicContact CZ3-CD2 4.21Å; I341-F384 HydrophobicContact CG2-CB 4.16Å; I341-F384 HydrophobicContact CG2-CD2 3.75Å; I341-F384 HydrophobicContact CG2-CE2 4.32Å; I341-F384 HydrophobicContact CG2-CG 3.88Å; E342-F384 WeakPolarHBondContact O-CB 3.44Å; D343-F384 PolarHBondContact O-N 2.84Å; T345-F384 PolarHBondContact O-N 2.79Å; F384-F387 PolarHBondContact O-N 2.83Å; F384-I388 HydrophobicContact CD1-CG1 4.2Å; F384-I388 HydrophobicContact CE1-CD1 4.43Å; F384-I388 HydrophobicContact CE1-CG1 3.7Å; F384-I388 HydrophobicContact CE2-CD1 4.24Å; F384-I388 HydrophobicContact CE2-CG1 4.17Å; F384-I388 HydrophobicContact CZ-CD1 3.91Å; F384-I388 HydrophobicContact CZ-CG1 3.68Å; F384-I388 WeakPolarHBondContact O-CG1 3.33Å; F384-I388 PolarHBondContact O-N 3.27Å
385Q88.5Confident83.2Confident86 Ų8632.3 Ų32.340%0.40216%0.158SC..Hα-helixtrans-60.7-51.9177.8-173.3176-25.900112D343 T383 F387 I388 Q389D343-Q385 HydrophobicContact CB-CB 4.07Å; D343-Q385 WeakPolarHBondContact O-CB 3.37Å; D343-Q385 PolarHBondContact O-N 2.74Å; T383-Q385 VanDerWaalsContact C-N 3.25Å; T383-Q385 PolarHBondContact O-N 3.45Å; Q385-F387 VanDerWaalsContact C-N 3.26Å; Q385-F387 PolarHBondContact O-N 2.95Å; Q385-I388 PolarHBondContact O-N 2.79Å; Q385-Q389 HydrophobicContact CG-CG 4.39Å; Q385-Q389 WeakPolarHBondContact O-CB 3.43Å; Q385-Q389 VanDerWaalsContact O-CG 3.23Å; Q385-Q389 WeakPolarHBondContact O-CG 3.35Å; Q385-Q389 PolarHBondContact O-N 3.01Å
386D82.6Confident83.5Confident60 Ų6033.6 Ų33.632%0.32116%0.158SC..Hα-helixtrans-61.8-39.6-179-64-33.2000110.8N381 T383 I388 Q389 M390N381-D386 HydrophobicContact CB-CB 3.98Å; N381-D386 PolarHBondContact OD1-O 3.06Å; T383-D386 PolarHBondContact O-N 2.83Å; T383-D386 WeakPolarHBondContact OG1-CB 3.49Å; T383-D386 PolarHBondContact OG1-N 3.31Å; T383-D386 VanDerWaalsContact OG1-N 3.16Å; T383-D386 PolarHBondContact OG1-OD2 3.32Å; D386-I388 PolarHBondContact O-N 3.19Å; D386-Q389 PolarHBondContact O-N 3.38Å; D386-M390 WeakPolarHBondContact O-CB 3.32Å; D386-M390 PolarHBondContact O-N 2.93Å
387F91Very high83.4Confident0 Ų031.1 Ų31.10%016%0.162CC..Hα-helixtrans-61.2-45.3177.6173.3-100.6000112.2M327 W331 L360 V364 L373 V378 N381 T383 F384 Q385 M390 C391M327-F387 HydrophobicContact CB-CE1 4.32Å; M327-F387 HydrophobicContact CG-CE1 4.16Å; M327-F387 HydrophobicContact SD-CE1 4.11Å; M327-F387 HydrophobicContact SD-CZ 4.43Å; W331-F387 HydrophobicContact CH2-CB 4.37Å; W331-F387 HydrophobicContact CZ2-CB 3.74Å; W331-F387 AromaticContact CZ2-CD1 3.9Å; W331-F387 HydrophobicContact CZ2-CD1 3.9Å; W331-F387 HydrophobicContact CZ2-CD2 4.39Å; W331-F387 AromaticContact CZ2-CG 3.75Å; W331-F387 HydrophobicContact CZ2-CG 3.75Å; W331-F387 AromaticContact NE1-CD1 3.66Å; W331-F387 AromaticContact NE1-CE1 3.62Å; L360-F387 HydrophobicContact CD1-CE1 4.32Å; L360-F387 HydrophobicContact CD1-CZ 3.91Å; L360-F387 HydrophobicContact CD2-CD2 4.4Å; L360-F387 HydrophobicContact CD2-CE2 3.84Å; L360-F387 HydrophobicContact CD2-CZ 3.89Å; L360-F387 HydrophobicContact CG-CE2 4.18Å; L360-F387 HydrophobicContact CG-CZ 3.9Å; V364-F387 HydrophobicContact CG2-CE1 4.43Å; V364-F387 HydrophobicContact CG2-CE2 4.48Å; V364-F387 HydrophobicContact CG2-CZ 3.61Å; L373-F387 HydrophobicContact CD1-CE2 4.14Å; L373-F387 HydrophobicContact CD1-CZ 4.4Å; V378-F387 HydrophobicContact CG2-CE2 4.26Å; N381-F387 HydrophobicContact CB-CB 4.36Å; T383-F387 WeakPolarHBondContact O-CB 3.17Å; T383-F387 PolarHBondContact O-N 2.97Å; F384-F387 PolarHBondContact O-N 2.83Å; Q385-F387 VanDerWaalsContact C-N 3.26Å; Q385-F387 PolarHBondContact O-N 2.95Å; F387-M390 HydrophobicContact CD2-CE 3.82Å; F387-M390 HydrophobicContact CE2-CE 4.17Å; F387-C391 WeakPolarHBondContact O-CB 3.04Å; F387-C391 PolarHBondContact O-N 3.32Å; F387-C391 PolarHBondContact O-SG 2.89Å
388I92.9Very high82.8Confident5 Ų534.4 Ų34.43%0.02618%0.177CC..Hα-helixtrans-66.6-44.5176.7-67.6-54.2000111L316 F323 A324 M327 F384 Q385 D386 M390 C391 V392L316-I388 HydrophobicContact CD1-CG2 4.02Å; L316-I388 HydrophobicContact CD2-CG2 4.43Å; F323-I388 HydrophobicContact CE1-CD1 4.36Å; A324-I388 HydrophobicContact CB-CD1 4.07Å; A324-I388 HydrophobicContact CB-CG1 4.15Å; A324-I388 HydrophobicContact CB-CG2 3.91Å; M327-I388 HydrophobicContact CB-CD1 3.64Å; M327-I388 HydrophobicContact CG-CD1 3.89Å; F384-I388 HydrophobicContact CD1-CG1 4.2Å; F384-I388 HydrophobicContact CE1-CD1 4.43Å; F384-I388 HydrophobicContact CE1-CG1 3.7Å; F384-I388 HydrophobicContact CE2-CD1 4.24Å; F384-I388 HydrophobicContact CE2-CG1 4.17Å; F384-I388 HydrophobicContact CZ-CD1 3.91Å; F384-I388 HydrophobicContact CZ-CG1 3.68Å; F384-I388 WeakPolarHBondContact O-CG1 3.33Å; F384-I388 PolarHBondContact O-N 3.27Å; Q385-I388 PolarHBondContact O-N 2.79Å; D386-I388 PolarHBondContact O-N 3.19Å; I388-M390 VanDerWaalsContact C-N 3.32Å; I388-M390 PolarHBondContact O-N 3.41Å; I388-C391 PolarHBondContact O-N 3.5Å; I388-V392 HydrophobicContact CG2-CG2 4.11Å; I388-V392 WeakPolarHBondContact O-CB 3.3Å; I388-V392 WeakPolarHBondContact O-CG2 3.39Å; I388-V392 PolarHBondContact O-N 2.84Å
389Q86.2Confident81.4Confident21 Ų2137.3 Ų37.310%0.09819%0.192CC..Hα-helixtrans-59-44.8178.7-73-67.9-34.100111.4V314 Q385 D386 V392 R393V314-Q389 PolarHBondContact O-NE2 2.93Å; V314-Q389 VanDerWaalsContact O-NE2 3.07Å; Q385-Q389 HydrophobicContact CG-CG 4.39Å; Q385-Q389 WeakPolarHBondContact O-CB 3.43Å; Q385-Q389 VanDerWaalsContact O-CG 3.23Å; Q385-Q389 WeakPolarHBondContact O-CG 3.35Å; Q385-Q389 PolarHBondContact O-N 3.01Å; D386-Q389 PolarHBondContact O-N 3.38Å; Q389-V392 PolarHBondContact O-N 2.95Å; Q389-R393 WeakPolarHBondContact O-CB 3.34Å; Q389-R393 VanDerWaalsContact O-CD 3.32Å; Q389-R393 WeakPolarHBondContact O-CD 3.43Å; Q389-R393 WeakPolarHBondContact O-CG 3.38Å; Q389-R393 PolarHBondContact O-N 3.34Å
390M87.6Confident80.2Confident9 Ų939 Ų394%0.04422%0.218CC..Hα-helixtrans-63.4-46.8173.9172.5-83.4-60.100112.2L373 D377 N381 D386 F387 I388 V392 R393 K394L373-M390 HydrophobicContact CD2-CE 3.56Å; L373-M390 HydrophobicContact CD2-SD 3.37Å; L373-M390 WeakPolarHBondContact CD2-SD 3.19Å; D377-M390 HydrophobicContact CB-CE 4Å; D377-M390 HydrophobicContact CB-SD 4.18Å; N381-M390 HydrophobicContact CB-CB 4.49Å; N381-M390 HydrophobicContact CB-CE 4.35Å; N381-M390 WeakPolarHBondContact ND2-CG 3.38Å; D386-M390 WeakPolarHBondContact O-CB 3.32Å; D386-M390 PolarHBondContact O-N 2.93Å; F387-M390 HydrophobicContact CD2-CE 3.82Å; F387-M390 HydrophobicContact CE2-CE 4.17Å; I388-M390 VanDerWaalsContact C-N 3.32Å; I388-M390 PolarHBondContact O-N 3.41Å; M390-V392 VanDerWaalsContact C-N 3.29Å; M390-V392 PolarHBondContact O-N 3.21Å; M390-R393 PolarHBondContact O-N 2.95Å; M390-K394 PolarHBondContact O-N 3.25Å; M390-K394 HydrophobicContact SD-CD 3.75Å; M390-K394 WeakPolarHBondContact SD-CE 3.43Å; M390-K394 HydrophobicContact SD-CG 4.31Å
391C87.4Confident78.8Confident0 Ų045.3 Ų45.30%025%0.248CC..Hα-helixtrans-60.2-40.8178.2-71.40000112.1F323 F387 I388 K394 L395F323-C391 HydrophobicContact CE1-CB 3.71Å; F323-C391 HydrophobicContact CZ-CB 4.17Å; F387-C391 WeakPolarHBondContact O-CB 3.04Å; F387-C391 PolarHBondContact O-N 3.32Å; F387-C391 PolarHBondContact O-SG 2.89Å; I388-C391 PolarHBondContact O-N 3.5Å; C391-K394 PolarHBondContact O-N 2.84Å; C391-L395 WeakPolarHBondContact O-CB 3.47Å; C391-L395 VanDerWaalsContact O-CG 3.28Å; C391-L395 WeakPolarHBondContact O-CG 3.24Å; C391-L395 PolarHBondContact O-N 2.67Å
392V87.7Confident77.1Confident0 Ų049.6 Ų49.60%027%0.267CS..Hα-helixtrans-66.8-45.3178.8167.70000110.6L316 E320 I388 Q389 M390 K394 L395 R396L316-V392 HydrophobicContact CD2-CB 4.24Å; L316-V392 HydrophobicContact CD2-CG1 4.01Å; L316-V392 HydrophobicContact CD2-CG2 3.68Å; E320-V392 HydrophobicContact CB-CG2 4.19Å; E320-V392 HydrophobicContact CG-CG1 4.31Å; E320-V392 HydrophobicContact CG-CG2 4.19Å; E320-V392 WeakPolarHBondContact OE1-CG1 3.38Å; I388-V392 HydrophobicContact CG2-CG2 4.11Å; I388-V392 WeakPolarHBondContact O-CB 3.3Å; I388-V392 WeakPolarHBondContact O-CG2 3.39Å; I388-V392 PolarHBondContact O-N 2.84Å; Q389-V392 PolarHBondContact O-N 2.95Å; M390-V392 VanDerWaalsContact C-N 3.29Å; M390-V392 PolarHBondContact O-N 3.21Å; V392-K394 VanDerWaalsContact C-N 3.32Å; V392-K394 PolarHBondContact O-N 2.87Å; V392-L395 PolarHBondContact O-N 2.84Å; V392-L395 VanDerWaalsContact O-N 3.12Å; V392-R396 HydrophobicContact CG1-CG 4.42Å; V392-R396 WeakPolarHBondContact O-CG 3.4Å; V392-R396 PolarHBondContact O-N 3.02Å
393R78.7Confident75.1Confident52 Ų5257.6 Ų57.620%0.19630%0.303CS..Hα-helixtrans-57.2-45.4173.8-72.7161.2178.4-116.2-16111.5S311 T312 V314 Q389 M390 L395 R396 G397 E398 D399S311-R393 VanDerWaalsContact CA-NH2 3.28Å; T312-R393 PolarHBondContact O-NH2 3.35Å; V314-R393 HydrophobicContact CG2-CG 4.38Å; Q389-R393 WeakPolarHBondContact O-CB 3.34Å; Q389-R393 VanDerWaalsContact O-CD 3.32Å; Q389-R393 WeakPolarHBondContact O-CD 3.43Å; Q389-R393 WeakPolarHBondContact O-CG 3.38Å; Q389-R393 PolarHBondContact O-N 3.34Å; M390-R393 PolarHBondContact O-N 2.95Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 3.21Å; R393-R396 PolarHBondContact O-N 3.33Å; R393-G397 PolarHBondContact O-N 2.78Å; R393-E398 HydrophobicContact CB-CB 4.21Å; R393-E398 HydrophobicContact CG-CB 4.39Å; R393-E398 PolarHBondContact O-N 3.36Å; R393-D399 HydrophobicContact CB-CB 4.22Å; R393-D399 PolarHBondContact O-N 3.37Å
394K80.9Confident73.6Confident45 Ų4560.6 Ų60.620%0.19632%0.318CS..Hα-helixtrans-60.4-41.8175.5-76.9-173.5-170.5-75.20112.2L373 D377 M390 C391 V392 R396 G397 D399L373-K394 HydrophobicContact CD2-CD 3.84Å; D377-K394 IonicContact OD1-NZ 2.79Å; D377-K394 PolarHBondContact OD1-NZ 3.37Å; D377-K394 WeakPolarHBondContact OD2-CE 3.38Å; D377-K394 IonicContact OD2-NZ 2.63Å; D377-K394 PolarHBondContact OD2-NZ 3.21Å; M390-K394 PolarHBondContact O-N 3.25Å; M390-K394 HydrophobicContact SD-CD 3.75Å; M390-K394 WeakPolarHBondContact SD-CE 3.43Å; M390-K394 HydrophobicContact SD-CG 4.31Å; C391-K394 PolarHBondContact O-N 2.84Å; V392-K394 VanDerWaalsContact C-N 3.32Å; V392-K394 PolarHBondContact O-N 2.87Å; K394-R396 VanDerWaalsContact C-N 3.33Å; K394-G397 PolarHBondContact O-N 3.28Å; K394-D399 HydrophobicContact CB-CB 4.14Å; K394-D399 WeakPolarHBondContact CD-OD2 3.07Å; K394-D399 WeakPolarHBondContact CE-OD2 3.47Å; K394-D399 HydrophobicContact CG-CB 3.4Å; K394-D399 WeakPolarHBondContact CG-OD2 3.46Å; K394-D399 IonicContact NZ-OD2 3.38Å; K394-D399 PolarHBondContact NZ-OD2 2.68Å
395L82.3Confident72.3Confident65 Ų6566.6 Ų66.634%0.3435%0.354SS..Hα-helixtrans-67.7-32.9178.8-76.8169.1000113.2F323 A368 A370 C371 C391 V392 R393 G397F323-L395 HydrophobicContact CE1-CD1 4.44Å; A368-L395 HydrophobicContact CB-CD1 4.35Å; A368-L395 HydrophobicContact CB-CD2 4.21Å; A370-L395 HydrophobicContact CB-CD2 4.1Å; C371-L395 HydrophobicContact CB-CD2 3.8Å; C371-L395 HydrophobicContact CB-CG 3.92Å; C391-L395 WeakPolarHBondContact O-CB 3.47Å; C391-L395 VanDerWaalsContact O-CG 3.28Å; C391-L395 WeakPolarHBondContact O-CG 3.24Å; C391-L395 PolarHBondContact O-N 2.67Å; V392-L395 PolarHBondContact O-N 2.84Å; V392-L395 VanDerWaalsContact O-N 3.12Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 3.21Å; L395-G397 VanDerWaalsContact C-N 3.31Å
396R82.1Confident71.8Confident87 Ų8763.4 Ų63.433%0.32834%0.34SS..Hα-helixtrans-80.4-11.7174.2-66.3-178.9-177.7-162.97.1113.5V314 E315 E320 V392 R393 K394 E398V314-R396 VanDerWaalsContact CG1-CZ 3.43Å; E315-R396 PolarHBondContact O-NH2 3.21Å; E320-R396 IonicContact OE1-CZ 2.66Å; E320-R396 IonicContact OE1-NE 3.63Å; E320-R396 PolarHBondContact OE1-NE 2.88Å; E320-R396 IonicContact OE1-NH2 3.16Å; E320-R396 PolarHBondContact OE1-NH2 3.36Å; E320-R396 IonicContact OE2-CZ 3.53Å; E320-R396 IonicContact OE2-NE 2.7Å; E320-R396 IonicContact OE2-NH2 3.62Å; E320-R396 PolarHBondContact OE2-NH2 3.47Å; V392-R396 HydrophobicContact CG1-CG 4.42Å; V392-R396 WeakPolarHBondContact O-CG 3.4Å; V392-R396 PolarHBondContact O-N 3.02Å; R393-R396 PolarHBondContact O-N 3.33Å; K394-R396 VanDerWaalsContact C-N 3.33Å; R396-E398 VanDerWaalsContact C-N 3.28Å; R396-E398 HydrophobicContact CB-CB 4.38Å; R396-E398 HydrophobicContact CB-CG 3.77Å; R396-E398 VanDerWaalsContact CD-OE1 3.27Å; R396-E398 WeakPolarHBondContact CD-OE1 3.45Å; R396-E398 IonicContact NH1-OE1 2.98Å
397G66.8Low71.6Confident57 Ų5764.8 Ų64.859%0.58835%0.348SS*.THydrogen-bonded Turntrans76.215-170.900000113.7R393 K394 L395R393-G397 PolarHBondContact O-N 2.78Å; K394-G397 PolarHBondContact O-N 3.28Å; L395-G397 VanDerWaalsContact C-N 3.31Å
398E65.2Low71.4Confident99 Ų9969.8 Ų69.846%0.46337%0.368SS..  trans-900.1179.6-63.9172.2-171.500112.7R393 R396 G400R393-E398 HydrophobicContact CB-CB 4.21Å; R393-E398 HydrophobicContact CG-CB 4.39Å; R393-E398 PolarHBondContact O-N 3.36Å; R396-E398 VanDerWaalsContact C-N 3.28Å; R396-E398 HydrophobicContact CB-CB 4.38Å; R396-E398 HydrophobicContact CB-CG 3.77Å; R396-E398 VanDerWaalsContact CD-OE1 3.27Å; R396-E398 WeakPolarHBondContact CD-OE1 3.45Å; R396-E398 IonicContact NH1-OE1 2.98Å; E398-G400 VanDerWaalsContact C-N 3.3Å; E398-G400 PolarHBondContact O-N 2.93Å
399D54.9Low71.2Confident60 Ų6071.6 Ų71.632%0.32138%0.379SS..SBendtrans-80.880.2179.9-155.246.5000110.3R393 K394 E401R393-D399 HydrophobicContact CB-CB 4.22Å; R393-D399 PolarHBondContact O-N 3.37Å; K394-D399 HydrophobicContact CB-CB 4.14Å; K394-D399 WeakPolarHBondContact CD-OD2 3.07Å; K394-D399 WeakPolarHBondContact CE-OD2 3.47Å; K394-D399 HydrophobicContact CG-CB 3.4Å; K394-D399 WeakPolarHBondContact CG-OD2 3.46Å; K394-D399 IonicContact NZ-OD2 3.38Å; K394-D399 PolarHBondContact NZ-OD2 2.68Å; D399-E401 PolarHBondContact O-N 3.08Å
400G49.8Very low71.4Confident66 Ų6676.1 Ų76.168%0.6840%0.4SS*.  trans57.439.9159.700000116.4E398 E402E398-G400 VanDerWaalsContact C-N 3.3Å; E398-G400 PolarHBondContact O-N 2.93Å; G400-E402 VanDerWaalsContact C-N 3.3Å; G400-E402 PolarHBondContact O-N 2.89Å
401E43.2Very low71.3Confident163 Ų16379 Ų7976%0.76241%0.412SS*.  trans-68.9106.3137.7-75.2-172.9179.100104.2D399 E403D399-E401 PolarHBondContact O-N 3.08Å; E401-E403 PolarHBondContact O-N 3.01Å
402E45.5Very low71.3Confident124 Ų12485.2 Ų85.258%0.57945%0.445SS*.  trans-42.7120.5165.1-74.4-174.5173.200105.8K274 G400 L404K274-E402 IonicContact NZ-OE1 3.88Å; K274-E402 IonicContact NZ-OE2 3.47Å; K274-E402 PolarHBondContact NZ-OE2 3.5Å; G400-E402 VanDerWaalsContact C-N 3.3Å; G400-E402 PolarHBondContact O-N 2.89Å; E402-L404 PolarHBondContact O-N 3.05Å
403E44.2Very low71.2Confident179 Ų17988 Ų8884%0.83646%0.46SS*.  trans-53.5111.1174.5-166.2174.3-157.200105.4E401 V405E401-E403 PolarHBondContact O-N 3.01Å; E403-V405 VanDerWaalsContact C-N 3.32Å; E403-V405 PolarHBondContact O-N 2.85Å
404L57Low71.4Confident93 Ų9389.5 Ų89.549%0.48747%0.471SS..  trans-58103.7179.6-89.6149.8000105.5E402 V406 F425 G428 F430E402-L404 PolarHBondContact O-N 3.05Å; L404-V406 VanDerWaalsContact C-N 3.28Å; L404-V406 HydrophobicContact CB-CG2 3.84Å; L404-V406 WeakPolarHBondContact O-CG2 3.43Å; L404-V406 PolarHBondContact O-N 3.28Å; L404-F425 HydrophobicContact CD2-CE2 3.87Å; L404-G428 VanDerWaalsContact CD2-O 3.3Å; L404-G428 WeakPolarHBondContact CD2-O 3.43Å; L404-F430 HydrophobicContact CD2-CD2 4.03Å; L404-F430 HydrophobicContact CD2-CE2 4.18Å
405V64.5Low71.6Confident127 Ų12795.9 Ų95.977%0.7751%0.508SS*.  trans-73.395.7175.3-177.70000105.5E403E403-V405 VanDerWaalsContact C-N 3.32Å; E403-V405 PolarHBondContact O-N 2.85Å
406V76.4Confident71.9Confident19 Ų1995.3 Ų95.312%0.11550%0.504CS..  trans-107.6122.3179-168.70000107.8L404 Y408 P421 F430L404-V406 VanDerWaalsContact C-N 3.28Å; L404-V406 HydrophobicContact CB-CG2 3.84Å; L404-V406 WeakPolarHBondContact O-CG2 3.43Å; L404-V406 PolarHBondContact O-N 3.28Å; V406-Y408 HydrophobicContact CB-CD2 4.12Å; V406-Y408 HydrophobicContact CB-CE1 4.1Å; V406-Y408 HydrophobicContact CB-CE2 3.5Å; V406-Y408 VanDerWaalsContact CB-CZ 3.47Å; V406-Y408 HydrophobicContact CG1-CD1 3.92Å; V406-Y408 HydrophobicContact CG1-CD2 4.22Å; V406-Y408 HydrophobicContact CG1-CE1 3.5Å; V406-Y408 HydrophobicContact CG1-CE2 3.83Å; V406-Y408 HydrophobicContact CG1-CG 4.27Å; V406-Y408 VanDerWaalsContact CG1-CZ 3.44Å; V406-Y408 HydrophobicContact CG2-CE2 4.29Å; V406-Y408 WeakPolarHBondContact O-CD2 3.44Å; V406-P421 HydrophobicContact CG1-CB 3.66Å; V406-F430 HydrophobicContact CB-CD2 4.07Å; V406-F430 HydrophobicContact CB-CE2 4.27Å; V406-F430 HydrophobicContact CB-CG 4.49Å; V406-F430 HydrophobicContact CG1-CD1 4.2Å; V406-F430 HydrophobicContact CG1-CD2 3.9Å; V406-F430 HydrophobicContact CG1-CE1 4.24Å; V406-F430 HydrophobicContact CG1-CE2 3.92Å; V406-F430 HydrophobicContact CG1-CG 4.02Å; V406-F430 HydrophobicContact CG1-CZ 4.08Å; V406-F430 HydrophobicContact CG2-CD2 3.37Å; V406-F430 HydrophobicContact CG2-CE2 3.41Å; V406-F430 VanDerWaalsContact CG2-CE2 3.41Å; V406-F430 HydrophobicContact CG2-CG 4.24Å; V406-F430 HydrophobicContact CG2-CZ 4.32Å
407D80.1Confident72.3Confident89 Ų8994.8 Ų94.848%0.47651%0.51SS..  trans-82.1118.4167.7-169.912.1000109.6H422D407-H422 WeakPolarHBondContact CB-NE2 3.49Å; D407-H422 PolarHBondContact O-CD2 3.45Å; D407-H422 IonicContact OD1-NE2 3.88Å; D407-H422 IonicContact OD2-CD2 3.32Å; D407-H422 IonicContact OD2-CE1 2.74Å; D407-H422 PolarHBondContact OD2-CE1 3.03Å; D407-H422 IonicContact OD2-NE2 2.72Å; D407-H422 PolarHBondContact OD2-NE2 3.31Å
408Y86.4Confident73.3Confident106 Ų10692.1 Ų92.142%0.41648%0.483SS..EExtended strand (participates in β ladder)trans-108139.3-174.6-68.3-74.1000111.6V406 K419 I420 P421V406-Y408 HydrophobicContact CB-CD2 4.12Å; V406-Y408 HydrophobicContact CB-CE1 4.1Å; V406-Y408 HydrophobicContact CB-CE2 3.5Å; V406-Y408 VanDerWaalsContact CB-CZ 3.47Å; V406-Y408 HydrophobicContact CG1-CD1 3.92Å; V406-Y408 HydrophobicContact CG1-CD2 4.22Å; V406-Y408 HydrophobicContact CG1-CE1 3.5Å; V406-Y408 HydrophobicContact CG1-CE2 3.83Å; V406-Y408 HydrophobicContact CG1-CG 4.27Å; V406-Y408 VanDerWaalsContact CG1-CZ 3.44Å; V406-Y408 HydrophobicContact CG2-CE2 4.29Å; V406-Y408 WeakPolarHBondContact O-CD2 3.44Å; Y408-K419 HydrophobicContact CD1-CB 3.65Å; Y408-K419 HydrophobicContact CE1-CB 4.06Å; Y408-K419 HydrophobicContact CG-CB 4.01Å; Y408-I420 WeakPolarHBondContact CA-O 3.38Å; Y408-P421 HydrophobicContact CD1-CB 4.5Å; Y408-P421 HydrophobicContact CE1-CB 4.41Å
409V87.6Confident74.4Confident42 Ų4292.3 Ų92.326%0.25548%0.482SS..EExtended strand (participates in β ladder)trans-96.1119.5159.8-177.50000108.7I420 H422 C451V409-I420 PolarHBondContact N-O 2.97Å; V409-I420 PolarHBondContact O-N 3.41Å; V409-H422 HydrophobicContact CG2-CB 4.47Å; V409-C451 HydrophobicContact CB-CB 4.22Å; V409-C451 HydrophobicContact CG1-CB 4.01Å; V409-C451 HydrophobicContact CG2-CB 4.02Å
410E90.3Very high75.9Confident117 Ų11790.1 Ų90.155%0.54747%0.471SS..EExtended strand (participates in β ladder)trans-88.6137.5177.3-61.4-167.4158.500111.9T417 V418 K419E410-T417 HydrophobicContact CB-CG2 4.34Å; E410-V418 WeakPolarHBondContact CA-O 3.23Å; E410-K419 HydrophobicContact CG-CG 4.3Å; E410-K419 VanDerWaalsContact OE1-CE 3.3Å; E410-K419 WeakPolarHBondContact OE1-CE 3.34Å
411K85.4Confident77.8Confident68 Ų6889.4 Ų89.430%0.29645%0.454SS..EExtended strand (participates in β ladder)trans-137.8137.2174.8-68.1-70.6-177.4162.30111I413 T417 V418 I420 I450K411-I413 HydrophobicContact CB-CD1 3.89Å; K411-I413 HydrophobicContact CB-CG1 4.13Å; K411-T417 WeakPolarHBondContact O-CA 3.17Å; K411-V418 PolarHBondContact N-O 3.23Å; K411-V418 PolarHBondContact O-N 3.41Å; K411-I420 HydrophobicContact CG-CD1 4.28Å; K411-I450 WeakPolarHBondContact CE-O 3.3Å; K411-I450 PolarHBondContact NZ-O 2.83Å
412N89.4Confident80.1Confident131 Ų13183 Ų8370%0.70142%0.424SS*.EExtended strand (participates in β ladder)trans-95.9102.2174.6-67.5-49.3000109.8M416 T417N412-M416 WeakPolarHBondContact CA-O 3.42Å; N412-T417 WeakPolarHBondContact OD1-CB 3.14Å; N412-T417 PolarHBondContact OD1-OG1 3.45Å
413I84.6Confident82.4Confident59 Ų5978.9 Ų78.930%0.30341%0.405SS..EExtended strand (participates in β ladder)trans-140.6144.3-173.5-59.2177.3000108K411 N415 M416 T505 M509K411-I413 HydrophobicContact CB-CD1 3.89Å; K411-I413 HydrophobicContact CB-CG1 4.13Å; I413-N415 PolarHBondContact O-N 3.31Å; I413-N415 VanDerWaalsContact O-N 3.16Å; I413-M416 PolarHBondContact N-O 3.32Å; I413-M416 WeakPolarHBondContact O-CG 3.25Å; I413-M416 PolarHBondContact O-N 3.29Å; I413-T505 HydrophobicContact CB-CG2 4.11Å; I413-T505 HydrophobicContact CG2-CG2 3.77Å; I413-M509 HydrophobicContact CD1-CE 4.36Å; I413-M509 HydrophobicContact CD1-CG 4.21Å; I413-M509 HydrophobicContact CD1-SD 3.14Å; I413-M509 WeakPolarHBondContact CD1-SD 3.48Å
414N81.9Confident84.7Confident83 Ų8371.8 Ų71.844%0.44437%0.372SS..THydrogen-bonded Turntrans53.938.1177-164.230.5000113.7M416 T505 Y515N414-M416 PolarHBondContact O-N 3.08Å; N414-T505 HydrophobicContact CB-CG2 3.84Å; N414-T505 PolarHBondContact ND2-OG1 2.69Å; N414-Y515 WeakPolarHBondContact ND2-CE2 3.42Å
415N86.3Confident86.5Confident179 Ų17973.2 Ų73.296%0.95738%0.375SS*.THydrogen-bonded Turntrans57.823.2-175.6-59.6-24.2000115.1I413I413-N415 PolarHBondContact O-N 3.31Å; I413-N415 VanDerWaalsContact O-N 3.16Å
416M88.5Confident87.7Confident54 Ų5468.3 Ų68.327%0.26634%0.344SS..EExtended strand (participates in β ladder)trans-131.5153.9173.358.117662.700111.6N412 I413 N414 V418 D501 E502 T505N412-M416 WeakPolarHBondContact CA-O 3.42Å; I413-M416 PolarHBondContact N-O 3.32Å; I413-M416 WeakPolarHBondContact O-CG 3.25Å; I413-M416 PolarHBondContact O-N 3.29Å; N414-M416 PolarHBondContact O-N 3.08Å; M416-V418 HydrophobicContact CG-CG2 3.88Å; M416-V418 HydrophobicContact SD-CG2 4.07Å; M416-D501 HydrophobicContact CE-CB 4.01Å; M416-E502 HydrophobicContact SD-CB 4.44Å; M416-T505 HydrophobicContact SD-CG2 4.3Å
417T90Very high88.1Confident75 Ų7572.6 Ų72.646%0.4637%0.366SS..EExtended strand (participates in β ladder)trans-91.4111.6168.7-54.40000107.7E410 K411 N412E410-T417 HydrophobicContact CB-CG2 4.34Å; K411-T417 WeakPolarHBondContact O-CA 3.17Å; N412-T417 WeakPolarHBondContact OD1-CB 3.14Å; N412-T417 PolarHBondContact OD1-OG1 3.45Å
418V88.3Confident88.3Confident2 Ų270.5 Ų70.51%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-94.8134-179.7-177.10000109.1E410 K411 M416 I420 E502 T505 I506E410-V418 WeakPolarHBondContact CA-O 3.23Å; K411-V418 PolarHBondContact N-O 3.23Å; K411-V418 PolarHBondContact O-N 3.41Å; M416-V418 HydrophobicContact CG-CG2 3.88Å; M416-V418 HydrophobicContact SD-CG2 4.07Å; V418-I420 HydrophobicContact CG1-CD1 4.42Å; V418-I420 HydrophobicContact CG1-CG1 3.86Å; V418-E502 HydrophobicContact CG1-CG 4.1Å; V418-T505 HydrophobicContact CG2-CG2 3.92Å; V418-I506 HydrophobicContact CG1-CD1 3.61Å; V418-I506 HydrophobicContact CG1-CG1 3.34Å
419K87.3Confident88.3Confident102 Ų10268.5 Ų68.544%0.44336%0.36SS..EExtended strand (participates in β ladder)trans-106.1110.3177.2-66.8-172.7175.5-174.50110.1Y408 E410 E502Y408-K419 HydrophobicContact CD1-CB 3.65Å; Y408-K419 HydrophobicContact CE1-CB 4.06Å; Y408-K419 HydrophobicContact CG-CB 4.01Å; E410-K419 HydrophobicContact CG-CG 4.3Å; E410-K419 VanDerWaalsContact OE1-CE 3.3Å; E410-K419 WeakPolarHBondContact OE1-CE 3.34Å; K419-E502 PolarHBondContact N-OE1 3.4Å
420I87.9Confident88.3Confident15 Ų1568.7 Ų68.78%0.07736%0.357CS..EExtended strand (participates in β ladder)trans-105.4113.2-172.5-54.5170.4000109.5Y408 V409 K411 V418 I450 I506 M509Y408-I420 WeakPolarHBondContact CA-O 3.38Å; V409-I420 PolarHBondContact N-O 2.97Å; V409-I420 PolarHBondContact O-N 3.41Å; K411-I420 HydrophobicContact CG-CD1 4.28Å; V418-I420 HydrophobicContact CG1-CD1 4.42Å; V418-I420 HydrophobicContact CG1-CG1 3.86Å; I420-I450 HydrophobicContact CD1-CG2 4.35Å; I420-I506 HydrophobicContact CG1-CG1 4.47Å; I420-M509 HydrophobicContact CD1-CE 3.66Å
421P89.5Confident88.3Confident50 Ų5065.2 Ų65.233%0.32534%0.344SS..EExtended strand (participates in β ladder)trans-67.7135.1169.527.7-31.9000109.8V406 Y408 F430V406-P421 HydrophobicContact CG1-CB 3.66Å; Y408-P421 HydrophobicContact CD1-CB 4.5Å; Y408-P421 HydrophobicContact CE1-CB 4.41Å; P421-F430 HydrophobicContact CB-CD1 4.01Å; P421-F430 HydrophobicContact CB-CE1 3.41Å; P421-F430 VanDerWaalsContact CB-CE1 3.41Å; P421-F430 HydrophobicContact CB-CZ 3.95Å; P421-F430 HydrophobicContact CG-CE1 3.99Å; P421-F430 HydrophobicContact CG-CZ 4.29Å
422H90.7Very high88.7Confident30 Ų3066.6 Ų66.614%0.13936%0.355CS..  trans-111.4-2.7-177.570.984.7000114.4D407 V409 E452 V453 S454D407-H422 WeakPolarHBondContact CB-NE2 3.49Å; D407-H422 PolarHBondContact O-CD2 3.45Å; D407-H422 IonicContact OD1-NE2 3.88Å; D407-H422 IonicContact OD2-CD2 3.32Å; D407-H422 IonicContact OD2-CE1 2.74Å; D407-H422 PolarHBondContact OD2-CE1 3.03Å; D407-H422 IonicContact OD2-NE2 2.72Å; D407-H422 PolarHBondContact OD2-NE2 3.31Å; V409-H422 HydrophobicContact CG2-CB 4.47Å; H422-E452 WeakPolarHBondContact CB-O 3.39Å; H422-V453 HydrophobicContact CB-CG1 4.21Å; H422-V453 CarbonylContact O-C 3.56Å; H422-V453 WeakPolarHBondContact O-CA 3.07Å; H422-S454 PolarHBondContact O-N 3.28Å
423Q93.9Very high88.8Confident37 Ų3760.6 Ų60.617%0.17332%0.323CS..SBendtrans-92.8166-179.4-59.4-179.5-76.500111.9F430 D432Q423-F430 HydrophobicContact CB-CB 3.97Å; Q423-F430 HydrophobicContact CB-CD1 4.14Å; Q423-D432 WeakPolarHBondContact CG-OD1 3.3Å; Q423-D432 PolarHBondContact NE2-OD1 3.25Å
424L93.7Very high89.1Confident29 Ų2962.3 Ų62.315%0.15233%0.33CS..EExtended strand (participates in β ladder)trans-74.9139171.7-53.5176.6000109.6I426 F430 V431 A433 A456 D460L424-I426 HydrophobicContact CB-CD1 4.1Å; L424-I426 HydrophobicContact CB-CG1 4.2Å; L424-I426 HydrophobicContact CD1-CD1 4.13Å; L424-F430 CarbonylContact O-C 3.13Å; L424-F430 VanDerWaalsContact O-CA 3.3Å; L424-F430 WeakPolarHBondContact O-CA 3.46Å; L424-V431 HydrophobicContact CB-CG2 4.08Å; L424-V431 WeakPolarHBondContact CB-O 3.32Å; L424-V431 PolarHBondContact N-O 3.21Å; L424-V431 PolarHBondContact O-N 2.96Å; L424-A433 HydrophobicContact CD1-CB 4.08Å; L424-A456 HydrophobicContact CD1-CB 4.04Å; L424-A456 HydrophobicContact CD2-CB 3.97Å; L424-D460 HydrophobicContact CD1-CB 3.78Å
425F93.1Very high89.3Confident124 Ų12461.8 Ų61.854%0.54434%0.344SS..EExtended strand (participates in β ladder)trans-97.9104.6172-170.5-110.7000110.7L404 E429 F430L404-F425 HydrophobicContact CD2-CE2 3.87Å; F425-E429 CarbonylContact C-O 3.52Å; F425-E429 VanDerWaalsContact CA-O 3.31Å; F425-E429 WeakPolarHBondContact CA-O 3.13Å; F425-E429 WeakPolarHBondContact CD2-O 3.37Å; F425-F430 HydrophobicContact CB-CD1 4.41Å; F425-F430 HydrophobicContact CB-CE1 4.18Å; F425-F430 HydrophobicContact CD2-CD1 4.27Å; F425-F430 AromaticContact CD2-CD2 3.82Å; F425-F430 HydrophobicContact CD2-CD2 3.82Å; F425-F430 HydrophobicContact CD2-CE1 4.13Å; F425-F430 AromaticContact CD2-CE2 3.69Å; F425-F430 HydrophobicContact CD2-CE2 3.69Å; F425-F430 HydrophobicContact CD2-CG 4.14Å; F425-F430 AromaticContact CD2-CZ 3.86Å; F425-F430 HydrophobicContact CD2-CZ 3.86Å; F425-F430 HydrophobicContact CE2-CD2 4.2Å; F425-F430 AromaticContact CE2-CE2 3.99Å; F425-F430 HydrophobicContact CE2-CE2 3.99Å; F425-F430 HydrophobicContact CE2-CZ 4.49Å; F425-F430 HydrophobicContact CG-CZ 4.48Å
426I91.3Very high89.6Confident24 Ų2455.8 Ų55.812%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-131.7129-175.5-60.5177.2000109.5L424 G428 E429 V431 D460 K463 A464L424-I426 HydrophobicContact CB-CD1 4.1Å; L424-I426 HydrophobicContact CB-CG1 4.2Å; L424-I426 HydrophobicContact CD1-CD1 4.13Å; I426-G428 VanDerWaalsContact C-N 3.25Å; I426-G428 PolarHBondContact O-N 3.41Å; I426-E429 PolarHBondContact N-O 3.45Å; I426-E429 PolarHBondContact O-N 3.15Å; I426-V431 HydrophobicContact CB-CG2 4.18Å; I426-V431 HydrophobicContact CD1-CG2 4.07Å; I426-V431 HydrophobicContact CG1-CG2 4.27Å; I426-D460 HydrophobicContact CD1-CB 4.16Å; I426-K463 HydrophobicContact CG2-CB 4.4Å; I426-A464 HydrophobicContact CD1-CB 4.3Å; I426-A464 HydrophobicContact CG1-CB 4.21Å; I426-A464 HydrophobicContact CG2-CB 4.21Å
427N84.2Confident89.7Confident109 Ų10958.1 Ų58.158%0.58333%0.333SS*.THydrogen-bonded Turntrans53.735.5176.1-16240.6000115.1A467N427-A467 HydrophobicContact CB-CB 3.72Å
428G84.4Confident90Very high44 Ų4457.5 Ų57.545%0.45433%0.329SS..THydrogen-bonded Turntrans85.68.3-179.600000114.7L404 I426L404-G428 VanDerWaalsContact CD2-O 3.3Å; L404-G428 WeakPolarHBondContact CD2-O 3.43Å; I426-G428 VanDerWaalsContact C-N 3.25Å; I426-G428 PolarHBondContact O-N 3.41Å
429E85.9Confident90.3Very high64 Ų6463 Ų6330%0.29935%0.35SS..EExtended strand (participates in β ladder)trans-129.1150-177.8-64.4175.5-15200112.1K274 F425 I426 V431K274-E429 WeakPolarHBondContact CD-OE1 3.49Å; K274-E429 WeakPolarHBondContact CE-OE1 3.36Å; K274-E429 IonicContact NZ-OE1 2.67Å; K274-E429 PolarHBondContact NZ-OE1 2.74Å; K274-E429 IonicContact NZ-OE2 2.74Å; K274-E429 PolarHBondContact NZ-OE2 3.2Å; F425-E429 CarbonylContact C-O 3.52Å; F425-E429 VanDerWaalsContact CA-O 3.31Å; F425-E429 WeakPolarHBondContact CA-O 3.13Å; F425-E429 WeakPolarHBondContact CD2-O 3.37Å; I426-E429 PolarHBondContact N-O 3.45Å; I426-E429 PolarHBondContact O-N 3.15Å; E429-V431 HydrophobicContact CB-CG1 4.07Å
430F88.3Confident90.7Very high46 Ų4664 Ų6420%0.20236%0.355CS..EExtended strand (participates in β ladder)trans-86.9120.3165-75.6-85000109.4L404 V406 P421 Q423 L424 F425L404-F430 HydrophobicContact CD2-CD2 4.03Å; L404-F430 HydrophobicContact CD2-CE2 4.18Å; V406-F430 HydrophobicContact CB-CD2 4.07Å; V406-F430 HydrophobicContact CB-CE2 4.27Å; V406-F430 HydrophobicContact CB-CG 4.49Å; V406-F430 HydrophobicContact CG1-CD1 4.2Å; V406-F430 HydrophobicContact CG1-CD2 3.9Å; V406-F430 HydrophobicContact CG1-CE1 4.24Å; V406-F430 HydrophobicContact CG1-CE2 3.92Å; V406-F430 HydrophobicContact CG1-CG 4.02Å; V406-F430 HydrophobicContact CG1-CZ 4.08Å; V406-F430 HydrophobicContact CG2-CD2 3.37Å; V406-F430 HydrophobicContact CG2-CE2 3.41Å; V406-F430 VanDerWaalsContact CG2-CE2 3.41Å; V406-F430 HydrophobicContact CG2-CG 4.24Å; V406-F430 HydrophobicContact CG2-CZ 4.32Å; P421-F430 HydrophobicContact CB-CD1 4.01Å; P421-F430 HydrophobicContact CB-CE1 3.41Å; P421-F430 VanDerWaalsContact CB-CE1 3.41Å; P421-F430 HydrophobicContact CB-CZ 3.95Å; P421-F430 HydrophobicContact CG-CE1 3.99Å; P421-F430 HydrophobicContact CG-CZ 4.29Å; Q423-F430 HydrophobicContact CB-CB 3.97Å; Q423-F430 HydrophobicContact CB-CD1 4.14Å; L424-F430 CarbonylContact O-C 3.13Å; L424-F430 VanDerWaalsContact O-CA 3.3Å; L424-F430 WeakPolarHBondContact O-CA 3.46Å; F425-F430 HydrophobicContact CB-CD1 4.41Å; F425-F430 HydrophobicContact CB-CE1 4.18Å; F425-F430 HydrophobicContact CD2-CD1 4.27Å; F425-F430 AromaticContact CD2-CD2 3.82Å; F425-F430 HydrophobicContact CD2-CD2 3.82Å; F425-F430 HydrophobicContact CD2-CE1 4.13Å; F425-F430 AromaticContact CD2-CE2 3.69Å; F425-F430 HydrophobicContact CD2-CE2 3.69Å; F425-F430 HydrophobicContact CD2-CG 4.14Å; F425-F430 AromaticContact CD2-CZ 3.86Å; F425-F430 HydrophobicContact CD2-CZ 3.86Å; F425-F430 HydrophobicContact CE2-CD2 4.2Å; F425-F430 AromaticContact CE2-CE2 3.99Å; F425-F430 HydrophobicContact CE2-CE2 3.99Å; F425-F430 HydrophobicContact CE2-CZ 4.49Å; F425-F430 HydrophobicContact CG-CZ 4.48Å
431V90.7Very high90.9Very high45 Ų4564 Ų6427%0.27336%0.355SS..EExtended strand (participates in β ladder)trans-131.7142.2-175.7-59.60000111.1L424 I426 E429L424-V431 HydrophobicContact CB-CG2 4.08Å; L424-V431 WeakPolarHBondContact CB-O 3.32Å; L424-V431 PolarHBondContact N-O 3.21Å; L424-V431 PolarHBondContact O-N 2.96Å; I426-V431 HydrophobicContact CB-CG2 4.18Å; I426-V431 HydrophobicContact CD1-CG2 4.07Å; I426-V431 HydrophobicContact CG1-CG2 4.27Å; E429-V431 HydrophobicContact CB-CG1 4.07Å
432D92.3Very high91.1Very high97 Ų9765.5 Ų65.552%0.51936%0.36SS..PPolyproline II helixtrans-68149.6171.7-62.1-26.4000110.4Q423Q423-D432 WeakPolarHBondContact CG-OD1 3.3Å; Q423-D432 PolarHBondContact NE2-OD1 3.25Å
433A93.1Very high91.1Very high4 Ų465.2 Ų65.23%0.03336%0.359CS..PPolyproline II helixtrans-60.5149.9173.400000112.1L424 G435 G436 K437 S454 L455L424-A433 HydrophobicContact CD1-CB 4.08Å; A433-G435 PolarHBondContact O-N 2.96Å; A433-G436 WeakPolarHBondContact O-CA 3.04Å; A433-G436 PolarHBondContact O-N 2.91Å; A433-K437 WeakPolarHBondContact CB-O 3.36Å; A433-S454 PolarHBondContact N-OG 3.21Å; A433-L455 WeakPolarHBondContact CB-O 3.4Å
434E89.6Confident91.1Very high96 Ų9667 Ų6745%0.44937%0.374SS..G310 helixtrans-54.1127.5177.9-17273.9-148.600111G436 Q457 S459 D460 K463E434-G436 VanDerWaalsContact C-N 3.27Å; E434-G436 PolarHBondContact O-N 3.09Å; E434-Q457 HydrophobicContact CB-CB 4.02Å; E434-Q457 HydrophobicContact CB-CG 3.98Å; E434-Q457 WeakPolarHBondContact O-CG 3.48Å; E434-S459 WeakPolarHBondContact CB-OG 3.32Å; E434-S459 WeakPolarHBondContact CG-OG 3.47Å; E434-D460 WeakPolarHBondContact CB-OD1 3.41Å; E434-D460 PolarHBondContact N-OD1 2.86Å; E434-D460 PolarHBondContact N-OD2 3.48Å; E434-K463 IonicContact OE2-NZ 3.92Å; E434-K463 PolarHBondContact OE2-NZ 3.02Å
435G87.3Confident90.8Very high72 Ų7271.1 Ų71.174%0.74240%0.401SS*.G310 helixtrans7314.4-176.200000114.7A433 K437A433-G435 PolarHBondContact O-N 2.96Å; G435-K437 VanDerWaalsContact C-N 3.28Å; G435-K437 PolarHBondContact O-N 2.8Å
436G91Very high90.7Very high52 Ų5269.8 Ų69.854%0.53640%0.399SS..G310 helixtrans67.226175.400000113.7A433 E434 T438A433-G436 WeakPolarHBondContact O-CA 3.04Å; A433-G436 PolarHBondContact O-N 2.91Å; E434-G436 VanDerWaalsContact C-N 3.27Å; E434-G436 PolarHBondContact O-N 3.09Å; G436-T438 PolarHBondContact O-N 3.01Å
437K92.4Very high90.7Very high104 Ų10471.2 Ų71.245%0.45242%0.419SS..  trans-73.9128.6-177.5-64.9-162.2-163.6164.20110.7A433 G435 L455 Q457A433-K437 WeakPolarHBondContact CB-O 3.36Å; G435-K437 VanDerWaalsContact C-N 3.28Å; G435-K437 PolarHBondContact O-N 2.8Å; K437-L455 HydrophobicContact CB-CB 4.28Å; K437-L455 PolarHBondContact O-N 3.09Å; K437-Q457 HydrophobicContact CD-CG 4.44Å
438T95.9Very high91.1Very high62 Ų6269.5 Ų69.538%0.3841%0.413SS..EExtended strand (participates in β ladder)trans-124163175.861.90000110.9G436 E452 V453G436-T438 PolarHBondContact O-N 3.01Å; T438-E452 PolarHBondContact OG1-OE2 3.26Å; T438-V453 CarbonylContact C-O 3.59Å; T438-V453 WeakPolarHBondContact CA-O 3.33Å; T438-V453 WeakPolarHBondContact CB-O 3.43Å
439Y94.1Very high91.5Very high118 Ų11869.8 Ų69.846%0.46341%0.411SS..EExtended strand (participates in β ladder)trans-135.9154.2164.881.2-82.4000110.6E452 V453 L455Y439-E452 WeakPolarHBondContact O-CA 3.27Å; Y439-V453 HydrophobicContact CD1-CG2 3.69Å; Y439-V453 HydrophobicContact CE1-CG2 3.23Å; Y439-V453 HydrophobicContact CE2-CG2 4.17Å; Y439-V453 HydrophobicContact CG-CG2 4.35Å; Y439-V453 VanDerWaalsContact CZ-CG2 3.49Å; Y439-V453 PolarHBondContact N-O 3.13Å; Y439-V453 PolarHBondContact O-N 3.26Å; Y439-L455 HydrophobicContact CD1-CB 4.06Å; Y439-L455 HydrophobicContact CD1-CD1 3.83Å; Y439-L455 HydrophobicContact CD1-CG 4.5Å; Y439-L455 HydrophobicContact CE1-CD1 4.36Å; Y439-L455 HydrophobicContact CG-CD1 4.5Å
440K95Very high91.7Very high122 Ų12267.1 Ų67.153%0.5340%0.399SS..EExtended strand (participates in β ladder)trans-83.3120.3177.9-69.6177.7-178.5-176.50109.5I442 E452K440-I442 HydrophobicContact CB-CD1 4.06Å; K440-E452 WeakPolarHBondContact CE-OE1 3.29Å; K440-E452 HydrophobicContact CG-CG 3.76Å; K440-E452 IonicContact NZ-OE1 2.67Å
441T93Very high91.9Very high15 Ų1565.6 Ų65.69%0.09239%0.394CS..EExtended strand (participates in β ladder)trans-79136.5161.6175.60000109.2I450 C451 V453 D510T441-I450 HydrophobicContact CG2-CB 3.77Å; T441-I450 HydrophobicContact CG2-CD1 4.41Å; T441-I450 HydrophobicContact CG2-CG2 4.2Å; T441-I450 PolarHBondContact O-N 2.85Å; T441-C451 WeakPolarHBondContact CG2-O 3.44Å; T441-C451 PolarHBondContact N-O 3.3Å; T441-C451 VanDerWaalsContact N-O 3.09Å; T441-V453 HydrophobicContact CG2-CG1 4.3Å; T441-D510 PolarHBondContact OG1-OD1 3.16Å
442I94.1Very high92.1Very high82 Ų8268 Ų6842%0.42140%0.402SS..EExtended strand (participates in β ladder)trans-115.9129.4-172-57-59000108.5K440 P444 A449K440-I442 HydrophobicContact CB-CD1 4.06Å; I442-P444 VanDerWaalsContact O-CD 3.28Å; I442-P444 WeakPolarHBondContact O-CD 3.47Å; I442-A449 HydrophobicContact CD1-CB 4.18Å
443N90.6Very high92.2Very high24 Ų2464.6 Ų64.613%0.12839%0.385CS..  trans-66115.5171.7-177.6-23000108.9T445 D446 G447 T448 I450N443-T445 PolarHBondContact O-N 2.92Å; N443-T445 WeakPolarHBondContact OD1-CB 3.04Å; N443-T445 PolarHBondContact OD1-N 3.18Å; N443-T445 PolarHBondContact OD1-OG1 3.49Å; N443-D446 WeakPolarHBondContact CB-OD1 3.33Å; N443-G447 VanDerWaalsContact O-CA 3.29Å; N443-G447 WeakPolarHBondContact O-CA 3.48Å; N443-G447 PolarHBondContact O-N 3.34Å; N443-T448 WeakPolarHBondContact CB-O 3.14Å; N443-T448 PolarHBondContact N-O 2.9Å; N443-I450 HydrophobicContact CB-CD1 4.16Å; N443-I450 HydrophobicContact CB-CG1 3.83Å
444P93.7Very high92.3Very high75 Ų7565 Ų6549%0.48739%0.387SS..THydrogen-bonded Turntrans-70.1-14.3-176.228.1-33.9000113.3I442 M509 G512I442-P444 VanDerWaalsContact O-CD 3.28Å; I442-P444 WeakPolarHBondContact O-CD 3.47Å; P444-M509 WeakPolarHBondContact CD-O 3.27Å; P444-G512 VanDerWaalsContact CG-CA 3.41Å
445T87.8Confident92.6Very high115 Ų11564 Ų6471%0.70638%0.384SS*.THydrogen-bonded Turntrans-77.1-38.9-178.7-50.30000112.3N443N443-T445 PolarHBondContact O-N 2.92Å; N443-T445 WeakPolarHBondContact OD1-CB 3.04Å; N443-T445 PolarHBondContact OD1-N 3.18Å; N443-T445 PolarHBondContact OD1-OG1 3.49Å
446D89.6Confident93Very high96 Ų9662.9 Ų62.951%0.51337%0.369SS..THydrogen-bonded Turntrans-130.7-4.7-172.264.514.9000114.4N443 T448N443-D446 WeakPolarHBondContact CB-OD1 3.33Å; D446-T448 HydrophobicContact CB-CG2 4.45Å; D446-T448 VanDerWaalsContact CG-OG1 3.29Å; D446-T448 PolarHBondContact O-N 2.96Å; D446-T448 WeakPolarHBondContact OD1-CB 3.42Å; D446-T448 WeakPolarHBondContact OD1-CG2 3.49Å; D446-T448 PolarHBondContact OD1-N 2.79Å; D446-T448 PolarHBondContact OD1-OG1 2.77Å; D446-T448 PolarHBondContact OD2-OG1 3.28Å
447G91.6Very high93.2Very high53 Ų5362.4 Ų62.455%0.54635%0.353SS..  trans757.7179.800000114.5N443N443-G447 VanDerWaalsContact O-CA 3.29Å; N443-G447 WeakPolarHBondContact O-CA 3.48Å; N443-G447 PolarHBondContact O-N 3.34Å
448T92.4Very high93.4Very high73 Ų7364 Ų6445%0.44837%0.365SS..  trans-78.7151.1178.3650000111.4N443 D446 I450N443-T448 WeakPolarHBondContact CB-O 3.14Å; N443-T448 PolarHBondContact N-O 2.9Å; D446-T448 HydrophobicContact CB-CG2 4.45Å; D446-T448 VanDerWaalsContact CG-OG1 3.29Å; D446-T448 PolarHBondContact O-N 2.96Å; D446-T448 WeakPolarHBondContact OD1-CB 3.42Å; D446-T448 WeakPolarHBondContact OD1-CG2 3.49Å; D446-T448 PolarHBondContact OD1-N 2.79Å; D446-T448 PolarHBondContact OD1-OG1 2.77Å; D446-T448 PolarHBondContact OD2-OG1 3.28Å; T448-I450 PolarHBondContact O-N 3.16Å
449A92.5Very high93.1Very high50 Ų5063 Ų6341%0.41336%0.36SS..EExtended strand (participates in β ladder)trans-73.9127.5174.700000110.3I442I442-A449 HydrophobicContact CD1-CB 4.18Å
450I91.4Very high93.1Very high9 Ų957.5 Ų57.55%0.04634%0.338CS..EExtended strand (participates in β ladder)trans-72.4-63.7174.6-63.5165.8000108.2K411 I420 T441 N443 T448 M509 D510K411-I450 WeakPolarHBondContact CE-O 3.3Å; K411-I450 PolarHBondContact NZ-O 2.83Å; I420-I450 HydrophobicContact CD1-CG2 4.35Å; T441-I450 HydrophobicContact CG2-CB 3.77Å; T441-I450 HydrophobicContact CG2-CD1 4.41Å; T441-I450 HydrophobicContact CG2-CG2 4.2Å; T441-I450 PolarHBondContact O-N 2.85Å; N443-I450 HydrophobicContact CB-CD1 4.16Å; N443-I450 HydrophobicContact CB-CG1 3.83Å; T448-I450 PolarHBondContact O-N 3.16Å; I450-M509 HydrophobicContact CB-SD 4.46Å; I450-M509 HydrophobicContact CD1-CE 4.22Å; I450-M509 HydrophobicContact CD1-CG 3.82Å; I450-M509 HydrophobicContact CD1-SD 4.2Å; I450-M509 HydrophobicContact CG1-CE 4.4Å; I450-M509 HydrophobicContact CG1-CG 4.07Å; I450-M509 HydrophobicContact CG1-SD 3.99Å; I450-M509 HydrophobicContact CG2-CE 3.4Å; I450-M509 HydrophobicContact CG2-SD 3.71Å; I450-D510 HydrophobicContact CD1-CB 4.39Å
451C92.6Very high93.2Very high14 Ų1455.4 Ų55.410%0.09534%0.336CS..EExtended strand (participates in β ladder)trans-158.6175.1173.959.80000110.8V409 T441V409-C451 HydrophobicContact CB-CB 4.22Å; V409-C451 HydrophobicContact CG1-CB 4.01Å; V409-C451 HydrophobicContact CG2-CB 4.02Å; T441-C451 WeakPolarHBondContact CG2-O 3.44Å; T441-C451 PolarHBondContact N-O 3.3Å; T441-C451 VanDerWaalsContact N-O 3.09Å
452E93.9Very high93Very high95 Ų9559.4 Ų59.444%0.44436%0.357SS..EExtended strand (participates in β ladder)trans-91.6134.1163.6-70.8-173.6-176.800108.5H422 T438 Y439 K440H422-E452 WeakPolarHBondContact CB-O 3.39Å; T438-E452 PolarHBondContact OG1-OE2 3.26Å; Y439-E452 WeakPolarHBondContact O-CA 3.27Å; K440-E452 WeakPolarHBondContact CE-OE1 3.29Å; K440-E452 HydrophobicContact CG-CG 3.76Å; K440-E452 IonicContact NZ-OE1 2.67Å
453V94.6Very high92.8Very high25 Ų2560.2 Ų60.215%0.15236%0.357CS..EExtended strand (participates in β ladder)trans-123.6151.7177.3-61.10000110.3H422 T438 Y439 T441 L455H422-V453 HydrophobicContact CB-CG1 4.21Å; H422-V453 CarbonylContact O-C 3.56Å; H422-V453 WeakPolarHBondContact O-CA 3.07Å; T438-V453 CarbonylContact C-O 3.59Å; T438-V453 WeakPolarHBondContact CA-O 3.33Å; T438-V453 WeakPolarHBondContact CB-O 3.43Å; Y439-V453 HydrophobicContact CD1-CG2 3.69Å; Y439-V453 HydrophobicContact CE1-CG2 3.23Å; Y439-V453 HydrophobicContact CE2-CG2 4.17Å; Y439-V453 HydrophobicContact CG-CG2 4.35Å; Y439-V453 VanDerWaalsContact CZ-CG2 3.49Å; Y439-V453 PolarHBondContact N-O 3.13Å; Y439-V453 PolarHBondContact O-N 3.26Å; T441-V453 HydrophobicContact CG2-CG1 4.3Å; V453-L455 PolarHBondContact O-N 2.89Å
454S95.6Very high92.9Very high13 Ų1360.9 Ų60.99%0.09137%0.366CS..EExtended strand (participates in β ladder)trans-58.7128.7178.4-79.30000111.7H422 A433H422-S454 PolarHBondContact O-N 3.28Å; A433-S454 PolarHBondContact N-OG 3.21Å
455L96.1Very high92.9Very high74 Ų7461.7 Ų61.739%0.38737%0.369SS..  trans-97.499.8177-179.364.2000109.1A433 K437 Y439 V453 Q457A433-L455 WeakPolarHBondContact CB-O 3.4Å; K437-L455 HydrophobicContact CB-CB 4.28Å; K437-L455 PolarHBondContact O-N 3.09Å; Y439-L455 HydrophobicContact CD1-CB 4.06Å; Y439-L455 HydrophobicContact CD1-CD1 3.83Å; Y439-L455 HydrophobicContact CD1-CG 4.5Å; Y439-L455 HydrophobicContact CE1-CD1 4.36Å; Y439-L455 HydrophobicContact CG-CD1 4.5Å; V453-L455 PolarHBondContact O-N 2.89Å; L455-Q457 PolarHBondContact O-N 3.02Å; L455-Q457 PolarHBondContact O-NE2 3.08Å
456A95Very high92.8Very high50 Ų5058.9 Ų58.941%0.41336%0.358SS..  trans-53.4132.3-177.200000113L424 D460L424-A456 HydrophobicContact CD1-CB 4.04Å; L424-A456 HydrophobicContact CD2-CB 3.97Å; A456-D460 HydrophobicContact CB-CB 4.47Å
457Q96.3Very high92.7Very high42 Ų4254.9 Ų54.920%0.19634%0.338CS..  trans-96.2169.4172.8-57.2-52.9-75.700111.3E434 K437 L455 S459 D460 V461E434-Q457 HydrophobicContact CB-CB 4.02Å; E434-Q457 HydrophobicContact CB-CG 3.98Å; E434-Q457 WeakPolarHBondContact O-CG 3.48Å; K437-Q457 HydrophobicContact CD-CG 4.44Å; L455-Q457 PolarHBondContact O-N 3.02Å; L455-Q457 PolarHBondContact O-NE2 3.08Å; Q457-S459 PolarHBondContact O-N 3.14Å; Q457-D460 WeakPolarHBondContact CB-OD2 3.39Å; Q457-D460 PolarHBondContact N-OD2 3.24Å; Q457-D460 WeakPolarHBondContact O-CB 3.15Å; Q457-D460 PolarHBondContact O-N 3.43Å; Q457-V461 PolarHBondContact O-N 3.42Å; Q457-V461 VanDerWaalsContact O-N 3.09Å
458I95.5Very high92.6Very high138 Ų13855.3 Ų55.371%0.70834%0.336SS*.Hα-helixtrans-52.6-45177.8-62.1174.3000110.8D460 V461 D462I458-D460 VanDerWaalsContact C-N 3.3Å; I458-D460 PolarHBondContact O-N 2.9Å; I458-V461 WeakPolarHBondContact O-CB 3.42Å; I458-V461 PolarHBondContact O-N 3.17Å; I458-D462 PolarHBondContact O-N 2.83Å
459S90Very high92.2Very high40 Ų4057.4 Ų57.428%0.2834%0.339SS..Hα-helixtrans-62.5-33.6177.7500000113.6E434 Q457 D462 K463E434-S459 WeakPolarHBondContact CB-OG 3.32Å; E434-S459 WeakPolarHBondContact CG-OG 3.47Å; Q457-S459 PolarHBondContact O-N 3.14Å; S459-D462 PolarHBondContact O-N 3.41Å; S459-K463 VanDerWaalsContact O-CG 3.25Å; S459-K463 WeakPolarHBondContact O-CG 3.41Å; S459-K463 PolarHBondContact O-N 2.86Å
460D94.3Very high91.7Very high2 Ų260.2 Ų60.21%0.01134%0.344CS..Hα-helixtrans-71.8-38.4178.2-56-42.4000110.7L424 I426 E434 A456 Q457 I458 K463 A464L424-D460 HydrophobicContact CD1-CB 3.78Å; I426-D460 HydrophobicContact CD1-CB 4.16Å; E434-D460 WeakPolarHBondContact CB-OD1 3.41Å; E434-D460 PolarHBondContact N-OD1 2.86Å; E434-D460 PolarHBondContact N-OD2 3.48Å; A456-D460 HydrophobicContact CB-CB 4.47Å; Q457-D460 WeakPolarHBondContact CB-OD2 3.39Å; Q457-D460 PolarHBondContact N-OD2 3.24Å; Q457-D460 WeakPolarHBondContact O-CB 3.15Å; Q457-D460 PolarHBondContact O-N 3.43Å; I458-D460 VanDerWaalsContact C-N 3.3Å; I458-D460 PolarHBondContact O-N 2.9Å; D460-K463 PolarHBondContact O-N 3.29Å; D460-K463 IonicContact OD1-NZ 3.25Å; D460-K463 PolarHBondContact OD1-NZ 2.97Å; D460-A464 WeakPolarHBondContact O-CB 3.11Å; D460-A464 PolarHBondContact O-N 3.22Å
461V95.7Very high91.2Very high78 Ų7861.7 Ų61.747%0.47336%0.357SS..Hα-helixtrans-62.6-44.2171.9179.80000110.4Q457 I458 K463 A464 V465Q457-V461 PolarHBondContact O-N 3.42Å; Q457-V461 VanDerWaalsContact O-N 3.09Å; I458-V461 WeakPolarHBondContact O-CB 3.42Å; I458-V461 PolarHBondContact O-N 3.17Å; V461-K463 PolarHBondContact O-N 2.76Å; V461-A464 PolarHBondContact O-N 2.74Å; V461-V465 HydrophobicContact CG1-CG2 4.35Å; V461-V465 WeakPolarHBondContact O-CG2 3.49Å; V461-V465 PolarHBondContact O-N 2.72Å
462D90.4Very high90.7Very high100 Ų10067.5 Ų67.554%0.53538%0.381SS..Hα-helixtrans-60.6-43.7177-70.1-27.1000111.7I458 S459 V465 A466I458-D462 PolarHBondContact O-N 2.83Å; S459-D462 PolarHBondContact O-N 3.41Å; D462-V465 PolarHBondContact O-N 2.89Å; D462-A466 VanDerWaalsContact O-CB 3.32Å; D462-A466 WeakPolarHBondContact O-CB 3.42Å; D462-A466 PolarHBondContact O-N 3.24Å
463K88.9Confident90.1Very high99 Ų9969 Ų6943%0.4339%0.388SS..Hα-helixtrans-59.6-45.7173.9-70.6167.9-162.5163.30111.5I426 E434 S459 D460 V461 A466 A467I426-K463 HydrophobicContact CG2-CB 4.4Å; E434-K463 IonicContact OE2-NZ 3.92Å; E434-K463 PolarHBondContact OE2-NZ 3.02Å; S459-K463 VanDerWaalsContact O-CG 3.25Å; S459-K463 WeakPolarHBondContact O-CG 3.41Å; S459-K463 PolarHBondContact O-N 2.86Å; D460-K463 PolarHBondContact O-N 3.29Å; D460-K463 IonicContact OD1-NZ 3.25Å; D460-K463 PolarHBondContact OD1-NZ 2.97Å; V461-K463 PolarHBondContact O-N 2.76Å; K463-A466 PolarHBondContact O-N 3.33Å; K463-A467 WeakPolarHBondContact O-CB 3.44Å; K463-A467 PolarHBondContact O-N 3.2Å
464A92.8Very high89.1Confident38 Ų3870.9 Ų70.931%0.31440%0.402SS..Hα-helixtrans-63.7-42179.300000112.5I426 D460 V461 A468I426-A464 HydrophobicContact CD1-CB 4.3Å; I426-A464 HydrophobicContact CG1-CB 4.21Å; I426-A464 HydrophobicContact CG2-CB 4.21Å; D460-A464 WeakPolarHBondContact O-CB 3.11Å; D460-A464 PolarHBondContact O-N 3.22Å; V461-A464 PolarHBondContact O-N 2.74Å; A464-A468 WeakPolarHBondContact O-CB 3.45Å; A464-A468 PolarHBondContact O-N 3.4Å
465V94.9Very high87.9Confident91 Ų9171.2 Ų71.255%0.55241%0.408SS*.Hα-helixtrans-66.7-42.8176.4172.70000111.1V461 D462 A468 K469V461-V465 HydrophobicContact CG1-CG2 4.35Å; V461-V465 WeakPolarHBondContact O-CG2 3.49Å; V461-V465 PolarHBondContact O-N 2.72Å; D462-V465 PolarHBondContact O-N 2.89Å; V465-A468 PolarHBondContact O-N 3.02Å; V465-K469 WeakPolarHBondContact O-CB 3.38Å; V465-K469 PolarHBondContact O-N 3.43Å
466A85.6Confident86.8Confident56 Ų5674.4 Ų74.446%0.46342%0.421SS..Hα-helixtrans-60.9-46.1176.800000111.5D462 K463 A468 K469 E470D462-A466 VanDerWaalsContact O-CB 3.32Å; D462-A466 WeakPolarHBondContact O-CB 3.42Å; D462-A466 PolarHBondContact O-N 3.24Å; K463-A466 PolarHBondContact O-N 3.33Å; A466-A468 PolarHBondContact O-N 2.94Å; A466-K469 PolarHBondContact O-N 3.33Å; A466-E470 PolarHBondContact O-N 3.17Å
467A86.1Confident86.2Confident13 Ų1377.3 Ų77.311%0.10742%0.421CS..Hα-helixtrans-61-44.6176.400000112.3N427 K463 K469 E470 A471N427-A467 HydrophobicContact CB-CB 3.72Å; K463-A467 WeakPolarHBondContact O-CB 3.44Å; K463-A467 PolarHBondContact O-N 3.2Å; A467-K469 VanDerWaalsContact C-N 3.33Å; A467-K469 PolarHBondContact O-N 2.92Å; A467-E470 PolarHBondContact O-N 3.45Å; A467-A471 WeakPolarHBondContact O-CB 3.41Å; A467-A471 PolarHBondContact O-N 3.13Å
468A89.5Confident85.3Confident61 Ų6176.5 Ų76.550%0.50442%0.423SS..Hα-helixtrans-62.9-39.9176.300000112.1A464 V465 A466 F472A464-A468 WeakPolarHBondContact O-CB 3.45Å; A464-A468 PolarHBondContact O-N 3.4Å; V465-A468 PolarHBondContact O-N 3.02Å; A466-A468 PolarHBondContact O-N 2.94Å; A468-F472 WeakPolarHBondContact O-CB 3.36Å; A468-F472 PolarHBondContact O-N 3.12Å; A468-F472 VanDerWaalsContact O-N 3.1Å
469K84.6Confident84.5Confident118 Ų11876.7 Ų76.751%0.51342%0.419SS..Hα-helixtrans-64.5-45.7176.4-173.4-179.3178.9-172.70111.3V465 A466 A467 F472 E473V465-K469 WeakPolarHBondContact O-CB 3.38Å; V465-K469 PolarHBondContact O-N 3.43Å; A466-K469 PolarHBondContact O-N 3.33Å; A467-K469 VanDerWaalsContact C-N 3.33Å; A467-K469 PolarHBondContact O-N 2.92Å; K469-F472 PolarHBondContact O-N 2.83Å; K469-E473 WeakPolarHBondContact CE-OE1 3.32Å; K469-E473 WeakPolarHBondContact CE-OE2 3.35Å; K469-E473 HydrophobicContact CG-CG 4.19Å; K469-E473 WeakPolarHBondContact O-CB 3.43Å; K469-E473 WeakPolarHBondContact O-CG 3.43Å; K469-E473 PolarHBondContact O-N 3.37Å
470E81.7Confident84Confident109 Ų10976.8 Ų76.851%0.50942%0.416SS..Hα-helixtrans-60.1-49.5176.3-172.5178.5176.100111.1A466 A467 F472 E473 S474 G475A466-E470 PolarHBondContact O-N 3.17Å; A467-E470 PolarHBondContact O-N 3.45Å; E470-F472 PolarHBondContact O-N 3.07Å; E470-F472 VanDerWaalsContact O-N 3.16Å; E470-E473 PolarHBondContact O-N 2.93Å; E470-S474 WeakPolarHBondContact CG-OG 3.45Å; E470-S474 PolarHBondContact O-N 3.43Å; E470-S474 PolarHBondContact O-OG 3.31Å; E470-S474 VanDerWaalsContact O-OG 3.06Å; E470-G475 PolarHBondContact O-N 3.18Å
471A80.8Confident83.2Confident39 Ų3979.3 Ų79.332%0.32243%0.429SS..Hα-helixtrans-56-35.2177.300000112.8A467 G475 G478A467-A471 WeakPolarHBondContact O-CB 3.41Å; A467-A471 PolarHBondContact O-N 3.13Å; A471-G475 CarbonylContact O-C 3.55Å; A471-G478 PolarHBondContact O-N 3.07Å
472F83.3Confident82.6Confident136 Ų13677 Ų7760%0.59642%0.416SS*.Hα-helixtrans-81.2-44.7179.4-176.1-103.1000113.9A468 K469 E470 G478A468-F472 WeakPolarHBondContact O-CB 3.36Å; A468-F472 PolarHBondContact O-N 3.12Å; A468-F472 VanDerWaalsContact O-N 3.1Å; K469-F472 PolarHBondContact O-N 2.83Å; E470-F472 PolarHBondContact O-N 3.07Å; E470-F472 VanDerWaalsContact O-N 3.16Å; F472-G478 WeakPolarHBondContact O-CA 3.44Å
473E79.6Confident82.2Confident128 Ų12879.2 Ų79.260%0.59842%0.417SS*.Hα-helixtrans-85.9-42.1-172-68.2-176.817200112.8K469 E470K469-E473 WeakPolarHBondContact CE-OE1 3.32Å; K469-E473 WeakPolarHBondContact CE-OE2 3.35Å; K469-E473 HydrophobicContact CG-CG 4.19Å; K469-E473 WeakPolarHBondContact O-CB 3.43Å; K469-E473 WeakPolarHBondContact O-CG 3.43Å; K469-E473 PolarHBondContact O-N 3.37Å; E470-E473 PolarHBondContact O-N 2.93Å
474S74.3Confident81.8Confident63 Ų6377.1 Ų77.144%0.44141%0.41SS..THydrogen-bonded Turntrans-121.4-22.1-172.662.60000113.5E470 K479E470-S474 WeakPolarHBondContact CG-OG 3.45Å; E470-S474 PolarHBondContact O-N 3.43Å; E470-S474 PolarHBondContact O-OG 3.31Å; E470-S474 VanDerWaalsContact O-OG 3.06Å; S474-K479 WeakPolarHBondContact O-CE 3.31Å; S474-K479 PolarHBondContact O-NZ 2.67Å
475G70.1Confident81.6Confident20 Ų2078.4 Ų78.421%0.20641%0.407CS..SBendtrans-77.2177.3-177.300000115.3E470 A471 W477E470-G475 PolarHBondContact O-N 3.18Å; A471-G475 CarbonylContact O-C 3.55Å; G475-W477 VanDerWaalsContact C-N 3.35Å; G475-W477 PolarHBondContact O-N 3.47Å
476E73.9Confident81.4Confident142 Ų14274.3 Ų74.366%0.66438%0.383SS*.Hα-helixtrans-65-36.7-178-74-61.411900112.1G478 K479 M480E476-G478 PolarHBondContact O-N 2.99Å; E476-K479 CarbonylContact O-C 3.55Å; E476-K479 PolarHBondContact O-N 3.31Å; E476-M480 VanDerWaalsContact O-CB 3.25Å; E476-M480 WeakPolarHBondContact O-CB 3.3Å; E476-M480 PolarHBondContact O-N 2.91Å
477W81.4Confident81.5Confident111 Ų11178.2 Ų78.242%0.4239%0.386SS..Hα-helixtrans-58.9-47.1-176.3-177.4-99.1000113G475 K479 M480 R485 L488 I489G475-W477 VanDerWaalsContact C-N 3.35Å; G475-W477 PolarHBondContact O-N 3.47Å; W477-K479 VanDerWaalsContact C-N 3.32Å; W477-K479 PolarHBondContact O-N 2.73Å; W477-M480 PolarHBondContact O-N 3.49Å; W477-R485 HydrophobicContact CH2-CB 4.46Å; W477-R485 PolarHBondContact O-NE 3.45Å; W477-L488 HydrophobicContact CZ3-CD1 4.24Å; W477-I489 HydrophobicContact CH2-CD1 4.15Å; W477-I489 HydrophobicContact CH2-CG1 4.03Å
478G78.8Confident81.7Confident24 Ų2481 Ų8125%0.24740%0.398CS..Hα-helixtrans-63.7-35.1177.600000113.9A471 F472 E476 R485A471-G478 PolarHBondContact O-N 3.07Å; F472-G478 WeakPolarHBondContact O-CA 3.44Å; E476-G478 PolarHBondContact O-N 2.99Å; G478-R485 PolarHBondContact O-NH2 3.1Å
479K77.4Confident82Confident143 Ų14379.6 Ų79.662%0.62238%0.382SS*.Hα-helixtrans-87-21.1-177.9-65.4171.2-178.8163.80113.6S474 E476 W477S474-K479 WeakPolarHBondContact O-CE 3.31Å; S474-K479 PolarHBondContact O-NZ 2.67Å; E476-K479 CarbonylContact O-C 3.55Å; E476-K479 PolarHBondContact O-N 3.31Å; W477-K479 VanDerWaalsContact C-N 3.32Å; W477-K479 PolarHBondContact O-N 2.73Å
480M79.6Confident82.5Confident41 Ų4178.1 Ų78.120%0.20237%0.374CS..SBendtrans-58.8140.4-178.1-171.4176.9-68.600110.1E476 W477 D484 R485 L488E476-M480 VanDerWaalsContact O-CB 3.25Å; E476-M480 WeakPolarHBondContact O-CB 3.3Å; E476-M480 PolarHBondContact O-N 2.91Å; W477-M480 PolarHBondContact O-N 3.49Å; M480-D484 HydrophobicContact CG-CB 3.72Å; M480-D484 HydrophobicContact SD-CB 3.99Å; M480-R485 HydrophobicContact CB-CG 3.84Å; M480-R485 HydrophobicContact CG-CG 3.78Å; M480-R485 PolarHBondContact O-NE 3.31Å; M480-R485 PolarHBondContact O-NH2 3.25Å; M480-R485 HydrophobicContact SD-CB 4.35Å; M480-R485 HydrophobicContact SD-CG 3.68Å; M480-L488 HydrophobicContact CE-CD1 3.62Å; M480-L488 HydrophobicContact SD-CD1 3.61Å
481N78.7Confident83Confident55 Ų5578.7 Ų78.729%0.29438%0.375SS..  trans-68.6154.5176.471.163.1000110.6R483 D484 R485N481-R483 VanDerWaalsContact C-N 3.27Å; N481-R483 PolarHBondContact O-N 3.32Å; N481-R483 WeakPolarHBondContact OD1-CB 3.37Å; N481-R483 PolarHBondContact OD1-N 2.9Å; N481-D484 PolarHBondContact ND2-OD2 2.92Å; N481-D484 PolarHBondContact O-N 3Å; N481-D484 PolarHBondContact OD1-N 2.96Å; N481-R485 PolarHBondContact O-N 3.37Å; N481-R485 VanDerWaalsContact O-N 3.15Å
482P82.8Confident83.6Confident31 Ų3180.7 Ų80.720%0.20138%0.38CS..Hα-helixtrans-65.4-27.6-172.3-22.233.8000114.6G486 C537 P546P482-G486 PolarHBondContact O-N 2.86Å; P482-C537 WeakPolarHBondContact CB-O 3.36Å; P482-C537 VanDerWaalsContact O-CB 3.25Å; P482-C537 WeakPolarHBondContact O-CB 3.49Å; P482-P546 HydrophobicContact CG-CB 4.1Å
483R81.6Confident84.3Confident146 Ų14674.2 Ų74.255%0.55135%0.351SS*.Hα-helixtrans-65-48.1175179.2-170-62-172.8-2.9111.4N481 R485 G486 R487 N548N481-R483 VanDerWaalsContact C-N 3.27Å; N481-R483 PolarHBondContact O-N 3.32Å; N481-R483 WeakPolarHBondContact OD1-CB 3.37Å; N481-R483 PolarHBondContact OD1-N 2.9Å; R483-R485 VanDerWaalsContact C-N 3.3Å; R483-R485 PolarHBondContact O-N 2.94Å; R483-G486 PolarHBondContact O-N 2.93Å; R483-R487 PolarHBondContact O-N 2.93Å; R483-N548 PolarHBondContact NH1-ND2 3.11Å; R483-N548 PolarHBondContact NH2-ND2 2.63Å
484D81.3Confident84.9Confident54 Ų5471.8 Ų71.829%0.28934%0.342SS..Hα-helixtrans-66.3-36.2-179-69.2-18.4000111M480 N481 R487 L488M480-D484 HydrophobicContact CG-CB 3.72Å; M480-D484 HydrophobicContact SD-CB 3.99Å; N481-D484 PolarHBondContact ND2-OD2 2.92Å; N481-D484 PolarHBondContact O-N 3Å; N481-D484 PolarHBondContact OD1-N 2.96Å; D484-R487 WeakPolarHBondContact O-CB 3.38Å; D484-R487 PolarHBondContact O-N 3.38Å; D484-L488 PolarHBondContact O-N 2.91Å; D484-L488 VanDerWaalsContact O-N 3.11Å
485R87.3Confident85.9Confident66 Ų6672.4 Ų72.425%0.24934%0.34CS..Hα-helixtrans-59.5-49.7170-66.1-177-139.7176-4.9111.4W477 G478 M480 N481 R483 R487 L488 I489W477-R485 HydrophobicContact CH2-CB 4.46Å; W477-R485 PolarHBondContact O-NE 3.45Å; G478-R485 PolarHBondContact O-NH2 3.1Å; M480-R485 HydrophobicContact CB-CG 3.84Å; M480-R485 HydrophobicContact CG-CG 3.78Å; M480-R485 PolarHBondContact O-NE 3.31Å; M480-R485 PolarHBondContact O-NH2 3.25Å; M480-R485 HydrophobicContact SD-CB 4.35Å; M480-R485 HydrophobicContact SD-CG 3.68Å; N481-R485 PolarHBondContact O-N 3.37Å; N481-R485 VanDerWaalsContact O-N 3.15Å; R483-R485 VanDerWaalsContact C-N 3.3Å; R483-R485 PolarHBondContact O-N 2.94Å; R485-R487 VanDerWaalsContact C-N 3.26Å; R485-R487 PolarHBondContact O-N 2.96Å; R485-L488 PolarHBondContact O-N 3.07Å; R485-L488 VanDerWaalsContact O-N 3.12Å; R485-I489 WeakPolarHBondContact O-CG1 3.48Å; R485-I489 PolarHBondContact O-N 2.63Å; R485-I489 VanDerWaalsContact O-N 3.09Å
486G90.6Very high87.2Confident4 Ų473 Ų734%0.04134%0.338CS..Hα-helixtrans-56-41.7176.400000112.1P482 R483 L488 I489 Y490P482-G486 PolarHBondContact O-N 2.86Å; R483-G486 PolarHBondContact O-N 2.93Å; G486-L488 PolarHBondContact O-N 3.12Å; G486-I489 PolarHBondContact O-N 2.86Å; G486-Y490 WeakPolarHBondContact O-CD2 3.1Å; G486-Y490 PolarHBondContact O-N 3.49Å
487R89.3Confident88.2Confident139 Ų13970.5 Ų70.553%0.52533%0.326SS..Hα-helixtrans-60.3-41.7176.2-172.1-179.367.7173.3-1112.7R483 D484 R485 Y490 K491R483-R487 PolarHBondContact O-N 2.93Å; D484-R487 WeakPolarHBondContact O-CB 3.38Å; D484-R487 PolarHBondContact O-N 3.38Å; R485-R487 VanDerWaalsContact C-N 3.26Å; R485-R487 PolarHBondContact O-N 2.96Å; R487-Y490 PolarHBondContact O-N 2.87Å; R487-K491 PolarHBondContact O-N 2.98Å
488L90.5Very high88.9Confident71 Ų7172.2 Ų72.237%0.37234%0.339SS..Hα-helixtrans-66.4-40.5177.3-68.8176.6000112.1W477 M480 D484 R485 G486 Y490 K491 L492W477-L488 HydrophobicContact CZ3-CD1 4.24Å; M480-L488 HydrophobicContact CE-CD1 3.62Å; M480-L488 HydrophobicContact SD-CD1 3.61Å; D484-L488 PolarHBondContact O-N 2.91Å; D484-L488 VanDerWaalsContact O-N 3.11Å; R485-L488 PolarHBondContact O-N 3.07Å; R485-L488 VanDerWaalsContact O-N 3.12Å; G486-L488 PolarHBondContact O-N 3.12Å; L488-Y490 VanDerWaalsContact C-N 3.34Å; L488-K491 WeakPolarHBondContact O-CB 3.37Å; L488-K491 PolarHBondContact O-N 3.15Å; L488-L492 PolarHBondContact O-N 3.33Å
489I94.3Very high89.6Confident31 Ų3175 Ų7516%0.15935%0.346CS..Hα-helixtrans-68-36.1177.1-57.1170.4000110.8W477 R485 G486 L492 A493 F530 A534W477-I489 HydrophobicContact CH2-CD1 4.15Å; W477-I489 HydrophobicContact CH2-CG1 4.03Å; R485-I489 WeakPolarHBondContact O-CG1 3.48Å; R485-I489 PolarHBondContact O-N 2.63Å; R485-I489 VanDerWaalsContact O-N 3.09Å; G486-I489 PolarHBondContact O-N 2.86Å; I489-L492 PolarHBondContact O-N 2.8Å; I489-A493 PolarHBondContact O-N 2.98Å; I489-F530 HydrophobicContact CG2-CB 4.35Å; I489-F530 HydrophobicContact CG2-CD1 4Å; I489-A534 HydrophobicContact CB-CB 3.79Å; I489-A534 HydrophobicContact CG2-CB 3.73Å
490Y95.1Very high90.5Very high87 Ų8770.3 Ų70.334%0.34133%0.326SS..Hα-helixtrans-61.5-45.5170.5-81.4-56000112.1G486 R487 L488 L492 A493 D494 R531 A534 G535G486-Y490 WeakPolarHBondContact O-CD2 3.1Å; G486-Y490 PolarHBondContact O-N 3.49Å; R487-Y490 PolarHBondContact O-N 2.87Å; L488-Y490 VanDerWaalsContact C-N 3.34Å; Y490-L492 VanDerWaalsContact C-N 3.28Å; Y490-L492 PolarHBondContact O-N 3.13Å; Y490-A493 WeakPolarHBondContact O-CB 3.26Å; Y490-A493 PolarHBondContact O-N 3.06Å; Y490-D494 VanDerWaalsContact O-CG 3.27Å; Y490-D494 PolarHBondContact O-N 3.01Å; Y490-R531 HydrophobicContact CE1-CB 4.29Å; Y490-R531 WeakPolarHBondContact CE1-O 3.43Å; Y490-R531 PolarHBondContact OH-O 2.88Å; Y490-A534 HydrophobicContact CD1-CB 3.69Å; Y490-A534 HydrophobicContact CD2-CB 3.72Å; Y490-A534 HydrophobicContact CE1-CB 3.66Å; Y490-A534 HydrophobicContact CE2-CB 3.7Å; Y490-A534 HydrophobicContact CG-CB 3.71Å; Y490-G535 WeakPolarHBondContact OH-CA 3.36Å; Y490-G535 PolarHBondContact OH-N 3.18Å
491K92.1Very high91.2Very high122 Ų12272.6 Ų72.653%0.5334%0.339SS..Hα-helixtrans-57.7-41.6176-173.3-176.6177.7-170.50111.6R487 L488 D494 L495R487-K491 PolarHBondContact O-N 2.98Å; L488-K491 WeakPolarHBondContact O-CB 3.37Å; L488-K491 PolarHBondContact O-N 3.15Å; K491-D494 PolarHBondContact O-N 3.45Å; K491-L495 HydrophobicContact CG-CD1 4.38Å; K491-L495 WeakPolarHBondContact O-CG 3.16Å; K491-L495 PolarHBondContact O-N 2.87Å
492L94.8Very high91.9Very high81 Ų8172.4 Ų72.442%0.42434%0.336SS..Hα-helixtrans-60.3-45.4174.2176.462.1000111.6L488 I489 Y490 D494 L495 M496 F530L488-L492 PolarHBondContact O-N 3.33Å; I489-L492 PolarHBondContact O-N 2.8Å; Y490-L492 VanDerWaalsContact C-N 3.28Å; Y490-L492 PolarHBondContact O-N 3.13Å; L492-D494 VanDerWaalsContact C-N 3.33Å; L492-D494 PolarHBondContact O-N 3.47Å; L492-L495 PolarHBondContact O-N 3.09Å; L492-M496 HydrophobicContact CD1-CG 4.35Å; L492-M496 HydrophobicContact CG-SD 4.25Å; L492-M496 VanDerWaalsContact O-CG 3.31Å; L492-M496 WeakPolarHBondContact O-CG 3.47Å; L492-M496 PolarHBondContact O-N 3.15Å; L492-F530 HydrophobicContact CD2-CD1 4.11Å; L492-F530 HydrophobicContact CD2-CE1 3.81Å; L492-F530 HydrophobicContact CD2-CZ 4.11Å
493A96.6Very high92.4Very high0 Ų074 Ų740%034%0.342CS..Hα-helixtrans-64.1-37.4177.900000112.7I489 Y490 M496 E497 I527 F530 R531I489-A493 PolarHBondContact O-N 2.98Å; Y490-A493 WeakPolarHBondContact O-CB 3.26Å; Y490-A493 PolarHBondContact O-N 3.06Å; A493-M496 PolarHBondContact O-N 2.99Å; A493-E497 WeakPolarHBondContact O-CB 3.23Å; A493-E497 PolarHBondContact O-N 3.34Å; A493-I527 HydrophobicContact CB-CG2 4.48Å; A493-F530 HydrophobicContact CB-CB 3.97Å; A493-R531 HydrophobicContact CB-CG 3.64Å
494D93.6Very high93.1Very high77 Ų7767 Ų6741%0.41232%0.316SS..Hα-helixtrans-63.5-45.3175.7-63.8-25.9000111Y490 K491 L492 E497 E498 R531Y490-D494 VanDerWaalsContact O-CG 3.27Å; Y490-D494 PolarHBondContact O-N 3.01Å; K491-D494 PolarHBondContact O-N 3.45Å; L492-D494 VanDerWaalsContact C-N 3.33Å; L492-D494 PolarHBondContact O-N 3.47Å; D494-E497 PolarHBondContact O-N 3.39Å; D494-E498 PolarHBondContact O-N 3.42Å; D494-R531 IonicContact OD1-CZ 3.62Å; D494-R531 IonicContact OD1-NH1 3.73Å; D494-R531 PolarHBondContact OD1-NH1 2.93Å; D494-R531 IonicContact OD1-NH2 3Å; D494-R531 PolarHBondContact OD1-NH2 2.87Å
495L95.1Very high93.7Very high75 Ų7564.7 Ų64.739%0.39330%0.304SS..Hα-helixtrans-64.2-40.6175.9-70.7169000112.1K491 L492 E497 E498 H499K491-L495 HydrophobicContact CG-CD1 4.38Å; K491-L495 WeakPolarHBondContact O-CG 3.16Å; K491-L495 PolarHBondContact O-N 2.87Å; L492-L495 PolarHBondContact O-N 3.09Å; L495-E497 VanDerWaalsContact C-N 3.28Å; L495-E497 PolarHBondContact O-N 3.39Å; L495-E498 PolarHBondContact O-N 3.31Å; L495-H499 PolarHBondContact O-CD2 3.49Å; L495-H499 VanDerWaalsContact O-CD2 3.26Å; L495-H499 PolarHBondContact O-N 2.95Å
496M96.6Very high93.9Very high32 Ų3263.7 Ų63.716%0.15830%0.303CS..Hα-helixtrans-63.1-35.2175-72.3177.269.300112.5L492 A493 H499 Q500 L503 I527 F530L492-M496 HydrophobicContact CD1-CG 4.35Å; L492-M496 HydrophobicContact CG-SD 4.25Å; L492-M496 VanDerWaalsContact O-CG 3.31Å; L492-M496 WeakPolarHBondContact O-CG 3.47Å; L492-M496 PolarHBondContact O-N 3.15Å; A493-M496 PolarHBondContact O-N 2.99Å; M496-H499 CarbonylContact O-C 3.52Å; M496-Q500 VanDerWaalsContact O-CA 3.31Å; M496-Q500 WeakPolarHBondContact O-CA 3.48Å; M496-Q500 PolarHBondContact O-N 2.7Å; M496-Q500 VanDerWaalsContact O-N 3.08Å; M496-L503 HydrophobicContact CB-CD1 4.3Å; M496-L503 HydrophobicContact CG-CD1 4.39Å; M496-I527 HydrophobicContact CB-CD1 4.34Å; M496-I527 HydrophobicContact CB-CG1 3.72Å; M496-I527 HydrophobicContact CE-CG1 4.19Å; M496-F530 HydrophobicContact CE-CD2 3.99Å; M496-F530 HydrophobicContact CE-CE2 3.9Å; M496-F530 HydrophobicContact SD-CD2 3.47Å; M496-F530 WeakPolarHBondContact SD-CD2 3.36Å; M496-F530 HydrophobicContact SD-CE2 3.54Å; M496-F530 VanDerWaalsContact SD-CE2 3.54Å; M496-F530 HydrophobicContact SD-CG 4.42Å
497E95.9Very high94.1Very high90 Ų9066.6 Ų66.642%0.42132%0.315SS..Hα-helixtrans-72.5-39.8176.5-170.9165.5-131.600111.6A493 D494 L495 H499 Q500 I527 R531A493-E497 WeakPolarHBondContact O-CB 3.23Å; A493-E497 PolarHBondContact O-N 3.34Å; D494-E497 PolarHBondContact O-N 3.39Å; L495-E497 VanDerWaalsContact C-N 3.28Å; L495-E497 PolarHBondContact O-N 3.39Å; E497-H499 VanDerWaalsContact C-N 3.31Å; E497-H499 PolarHBondContact O-N 3.14Å; E497-Q500 VanDerWaalsContact O-CB 3.28Å; E497-Q500 WeakPolarHBondContact O-CB 3.33Å; E497-Q500 PolarHBondContact O-N 3.09Å; E497-I527 HydrophobicContact CB-CD1 4.12Å; E497-I527 HydrophobicContact CB-CG2 4.27Å; E497-R531 IonicContact OE2-CZ 3.61Å; E497-R531 IonicContact OE2-NE 2.82Å; E497-R531 IonicContact OE2-NH2 2.66Å; E497-R531 PolarHBondContact OE2-NH2 2.96Å
498E95Very high94.3Very high147 Ų14760.7 Ų60.769%0.68730%0.297SS*.Hα-helixtrans-58.5-42.5172.8-177.6175.6178.800112D494 L495D494-E498 PolarHBondContact O-N 3.42Å; L495-E498 PolarHBondContact O-N 3.31Å
499H94.4Very high94.3Very high84 Ų8458.2 Ų58.239%0.38928%0.284SS..THydrogen-bonded Turntrans-97.319.1-179.3-66.5-82.1000113.8L495 M496 E497 D501 E502 L503L495-H499 PolarHBondContact O-CD2 3.49Å; L495-H499 VanDerWaalsContact O-CD2 3.26Å; L495-H499 PolarHBondContact O-N 2.95Å; M496-H499 CarbonylContact O-C 3.52Å; E497-H499 VanDerWaalsContact C-N 3.31Å; E497-H499 PolarHBondContact O-N 3.14Å; H499-D501 VanDerWaalsContact C-N 3.35Å; H499-D501 PolarHBondContact O-N 3.15Å; H499-E502 IonicContact ND1-OE2 3.49Å; H499-E502 PolarHBondContact O-N 3.23Å; H499-L503 WeakPolarHBondContact O-CG 3.45Å; H499-L503 PolarHBondContact O-N 3.09Å
500Q95Very high94.2Very high44 Ų4460.3 Ų60.321%0.20630%0.295CS..Hα-helixtrans-60.7-39.7-169.6-173.6-179.1-18.500113.4M496 E497 A504 L519 V523 I527M496-Q500 VanDerWaalsContact O-CA 3.31Å; M496-Q500 WeakPolarHBondContact O-CA 3.48Å; M496-Q500 PolarHBondContact O-N 2.7Å; M496-Q500 VanDerWaalsContact O-N 3.08Å; E497-Q500 VanDerWaalsContact O-CB 3.28Å; E497-Q500 WeakPolarHBondContact O-CB 3.33Å; E497-Q500 PolarHBondContact O-N 3.09Å; Q500-A504 VanDerWaalsContact O-CB 3.22Å; Q500-A504 WeakPolarHBondContact O-CB 3.46Å; Q500-A504 PolarHBondContact O-N 2.99Å; Q500-L519 HydrophobicContact CG-CD1 3.85Å; Q500-L519 PolarHBondContact NE2-O 3.47Å; Q500-V523 HydrophobicContact CG-CB 4.35Å; Q500-V523 HydrophobicContact CG-CG1 3.78Å; Q500-I527 HydrophobicContact CB-CD1 4.32Å; Q500-I527 HydrophobicContact CG-CD1 3.99Å
501D93.8Very high94Very high88 Ų8858.9 Ų58.947%0.47130%0.298SS..Hα-helixtrans-68.1-36179.5-72.7-50.8000112.4M416 H499 T505 Y515 L519M416-D501 HydrophobicContact CE-CB 4.01Å; H499-D501 VanDerWaalsContact C-N 3.35Å; H499-D501 PolarHBondContact O-N 3.15Å; D501-T505 WeakPolarHBondContact O-CB 3.47Å; D501-T505 PolarHBondContact O-N 3.31Å; D501-T505 PolarHBondContact O-OG1 3.31Å; D501-Y515 PolarHBondContact OD1-OH 3.13Å; D501-L519 WeakPolarHBondContact OD1-CD1 3.46Å
502E93.5Very high94Very high52 Ų5254.8 Ų54.824%0.24329%0.29CS..Hα-helixtrans-67.3-50.2175.9-176.5174.2-16800110.4M416 V418 K419 H499 A504 T505 I506M416-E502 HydrophobicContact SD-CB 4.44Å; V418-E502 HydrophobicContact CG1-CG 4.1Å; K419-E502 PolarHBondContact N-OE1 3.4Å; H499-E502 IonicContact ND1-OE2 3.49Å; H499-E502 PolarHBondContact O-N 3.23Å; E502-A504 VanDerWaalsContact C-N 3.3Å; E502-A504 PolarHBondContact O-N 3.39Å; E502-T505 WeakPolarHBondContact O-CB 3.3Å; E502-T505 PolarHBondContact O-N 3.06Å; E502-T505 VanDerWaalsContact O-N 3.08Å; E502-I506 HydrophobicContact CG-CD1 4.36Å; E502-I506 WeakPolarHBondContact O-CG1 3.35Å; E502-I506 PolarHBondContact O-N 3.11Å
503L94.6Very high93.9Very high63 Ų6351.9 Ų51.933%0.3328%0.278SS..Hα-helixtrans-58.8-41.5176.7-68172.6000111.8M496 H499 T505 I506 E507 V523M496-L503 HydrophobicContact CB-CD1 4.3Å; M496-L503 HydrophobicContact CG-CD1 4.39Å; H499-L503 WeakPolarHBondContact O-CG 3.45Å; H499-L503 PolarHBondContact O-N 3.09Å; L503-T505 VanDerWaalsContact C-N 3.32Å; L503-T505 PolarHBondContact O-N 3.24Å; L503-I506 PolarHBondContact O-N 3.46Å; L503-E507 VanDerWaalsContact O-CB 3.3Å; L503-E507 WeakPolarHBondContact O-CB 3.48Å; L503-E507 PolarHBondContact O-N 3.11Å; L503-V523 HydrophobicContact CB-CG1 3.98Å; L503-V523 HydrophobicContact CB-CG2 4.02Å; L503-V523 HydrophobicContact CD1-CG1 4.09Å
504A95Very high93.7Very high0 Ų056.8 Ų56.80%031%0.308CS..Hα-helixtrans-66.9-33.5176.700000112.8Q500 E502 A508 Y515 A518 L519 V523Q500-A504 VanDerWaalsContact O-CB 3.22Å; Q500-A504 WeakPolarHBondContact O-CB 3.46Å; Q500-A504 PolarHBondContact O-N 2.99Å; E502-A504 VanDerWaalsContact C-N 3.3Å; E502-A504 PolarHBondContact O-N 3.39Å; A504-A508 VanDerWaalsContact O-CB 3.22Å; A504-A508 WeakPolarHBondContact O-CB 3.45Å; A504-A508 PolarHBondContact O-N 2.98Å; A504-Y515 HydrophobicContact CB-CD2 4.37Å; A504-Y515 HydrophobicContact CB-CE2 3.76Å; A504-A518 HydrophobicContact CB-CB 4.42Å; A504-L519 HydrophobicContact CB-CB 3.89Å; A504-L519 HydrophobicContact CB-CD1 3.64Å; A504-L519 HydrophobicContact CB-CG 4.41Å; A504-V523 HydrophobicContact CB-CG2 4.21Å
505T93.8Very high93.7Very high6 Ų656.2 Ų56.24%0.03730%0.3CS..Hα-helixtrans-68.1-43.4175.8-61.60000110.9I413 N414 M416 V418 D501 E502 L503 M509 Y515I413-T505 HydrophobicContact CB-CG2 4.11Å; I413-T505 HydrophobicContact CG2-CG2 3.77Å; N414-T505 HydrophobicContact CB-CG2 3.84Å; N414-T505 PolarHBondContact ND2-OG1 2.69Å; M416-T505 HydrophobicContact SD-CG2 4.3Å; V418-T505 HydrophobicContact CG2-CG2 3.92Å; D501-T505 WeakPolarHBondContact O-CB 3.47Å; D501-T505 PolarHBondContact O-N 3.31Å; D501-T505 PolarHBondContact O-OG1 3.31Å; E502-T505 WeakPolarHBondContact O-CB 3.3Å; E502-T505 PolarHBondContact O-N 3.06Å; E502-T505 VanDerWaalsContact O-N 3.08Å; L503-T505 VanDerWaalsContact C-N 3.32Å; L503-T505 PolarHBondContact O-N 3.24Å; T505-M509 WeakPolarHBondContact O-CB 3.39Å; T505-M509 PolarHBondContact O-N 3.08Å; T505-M509 VanDerWaalsContact O-N 3.13Å; T505-Y515 WeakPolarHBondContact OG1-CE2 3.22Å
506I92.6Very high93.7Very high45 Ų4556.8 Ų56.823%0.23131%0.307CS..Hα-helixtrans-61.5-51.4174.2-64.2167.1000110.4V418 I420 E502 L503 A508 M509 D510V418-I506 HydrophobicContact CG1-CD1 3.61Å; V418-I506 HydrophobicContact CG1-CG1 3.34Å; I420-I506 HydrophobicContact CG1-CG1 4.47Å; E502-I506 HydrophobicContact CG-CD1 4.36Å; E502-I506 WeakPolarHBondContact O-CG1 3.35Å; E502-I506 PolarHBondContact O-N 3.11Å; L503-I506 PolarHBondContact O-N 3.46Å; I506-A508 PolarHBondContact O-N 3.08Å; I506-M509 PolarHBondContact O-N 2.95Å; I506-M509 VanDerWaalsContact O-N 3.17Å; I506-D510 PolarHBondContact O-N 2.59Å
507E93.9Very high93.6Very high64 Ų6459 Ų5930%0.29932%0.319SS..Hα-helixtrans-59.9-44-178.2175.261.3-165.300112.2L503 M509 S511 A518 H522L503-E507 VanDerWaalsContact O-CB 3.3Å; L503-E507 WeakPolarHBondContact O-CB 3.48Å; L503-E507 PolarHBondContact O-N 3.11Å; E507-M509 VanDerWaalsContact C-N 3.32Å; E507-M509 PolarHBondContact O-N 3.27Å; E507-S511 VanDerWaalsContact O-CB 3.29Å; E507-S511 WeakPolarHBondContact O-CB 3.44Å; E507-S511 PolarHBondContact O-N 2.94Å; E507-S511 PolarHBondContact O-OG 3.21Å; E507-A518 HydrophobicContact CB-CB 4.18Å; E507-A518 HydrophobicContact CG-CB 3.87Å; E507-H522 HydrophobicContact CG-CB 3.97Å; E507-H522 WeakPolarHBondContact CG-ND1 3.38Å; E507-H522 IonicContact OE1-CE1 3.73Å; E507-H522 IonicContact OE1-CG 2.74Å; E507-H522 IonicContact OE1-ND1 3.67Å; E507-H522 PolarHBondContact OE1-ND1 2.83Å
508A93.7Very high93.6Very high16 Ų1654.7 Ų54.713%0.13230%0.299CS..Hα-helixtrans-64.2-38.6177.800000112A504 I506 G512 A513 Y515 A518A504-A508 VanDerWaalsContact O-CB 3.22Å; A504-A508 WeakPolarHBondContact O-CB 3.45Å; A504-A508 PolarHBondContact O-N 2.98Å; I506-A508 PolarHBondContact O-N 3.08Å; A508-G512 VanDerWaalsContact O-CA 3.24Å; A508-G512 WeakPolarHBondContact O-CA 3.39Å; A508-G512 PolarHBondContact O-N 2.92Å; A508-A513 WeakPolarHBondContact CB-O 3.4Å; A508-Y515 HydrophobicContact CB-CD2 4.39Å; A508-A518 HydrophobicContact CB-CB 4.11Å
509M91.5Very high93.6Very high19 Ų1949.3 Ų49.39%0.09428%0.275CS..Hα-helixtrans-68.7-45.5178.4178.1-171.455.400112.2I413 I420 P444 I450 T505 I506 E507I413-M509 HydrophobicContact CD1-CE 4.36Å; I413-M509 HydrophobicContact CD1-CG 4.21Å; I413-M509 HydrophobicContact CD1-SD 3.14Å; I413-M509 WeakPolarHBondContact CD1-SD 3.48Å; I420-M509 HydrophobicContact CD1-CE 3.66Å; P444-M509 WeakPolarHBondContact CD-O 3.27Å; I450-M509 HydrophobicContact CB-SD 4.46Å; I450-M509 HydrophobicContact CD1-CE 4.22Å; I450-M509 HydrophobicContact CD1-CG 3.82Å; I450-M509 HydrophobicContact CD1-SD 4.2Å; I450-M509 HydrophobicContact CG1-CE 4.4Å; I450-M509 HydrophobicContact CG1-CG 4.07Å; I450-M509 HydrophobicContact CG1-SD 3.99Å; I450-M509 HydrophobicContact CG2-CE 3.4Å; I450-M509 HydrophobicContact CG2-SD 3.71Å; T505-M509 WeakPolarHBondContact O-CB 3.39Å; T505-M509 PolarHBondContact O-N 3.08Å; T505-M509 VanDerWaalsContact O-N 3.13Å; I506-M509 PolarHBondContact O-N 2.95Å; I506-M509 VanDerWaalsContact O-N 3.17Å; E507-M509 VanDerWaalsContact C-N 3.32Å; E507-M509 PolarHBondContact O-N 3.27Å
510D91.3Very high93.5Very high75 Ų7552.7 Ų52.740%0.40129%0.288SS..Hα-helixtrans-77.9-43.6-174.1-16866.5000112T441 I450 I506T441-D510 PolarHBondContact OG1-OD1 3.16Å; I450-D510 HydrophobicContact CD1-CB 4.39Å; I506-D510 PolarHBondContact O-N 2.59Å
511S92.3Very high93.4Very high57 Ų5753.2 Ų53.240%0.39930%0.295SS..Hα-helixtrans-85.5-19.7-178.872.10000114.3E507 A513E507-S511 VanDerWaalsContact O-CB 3.29Å; E507-S511 WeakPolarHBondContact O-CB 3.44Å; E507-S511 PolarHBondContact O-N 2.94Å; E507-S511 PolarHBondContact O-OG 3.21Å; S511-A513 VanDerWaalsContact C-N 3.26Å; S511-A513 VanDerWaalsContact OG-CB 3.28Å; S511-A513 WeakPolarHBondContact OG-CB 3.46Å; S511-A513 PolarHBondContact OG-N 3.1Å; S511-A513 VanDerWaalsContact OG-N 3.15Å
512G91.3Very high93.5Very high36 Ų3652.1 Ų52.137%0.37129%0.286SS..  trans76.110.3-170.600000114.3P444 A508P444-G512 VanDerWaalsContact CG-CA 3.41Å; A508-G512 VanDerWaalsContact O-CA 3.24Å; A508-G512 WeakPolarHBondContact O-CA 3.39Å; A508-G512 PolarHBondContact O-N 2.92Å
513A92Very high93.6Very high20 Ų2050.2 Ų50.217%0.16528%0.278CS..  trans-65.8146.9176.500000111.8A508 S511 Y515A508-A513 WeakPolarHBondContact CB-O 3.4Å; S511-A513 VanDerWaalsContact C-N 3.26Å; S511-A513 VanDerWaalsContact OG-CB 3.28Å; S511-A513 WeakPolarHBondContact OG-CB 3.46Å; S511-A513 PolarHBondContact OG-N 3.1Å; S511-A513 VanDerWaalsContact OG-N 3.15Å; A513-Y515 PolarHBondContact O-N 3.42Å
514V93.8Very high93.6Very high103 Ų10347.8 Ų47.862%0.62427%0.268SS*.  trans-59.8131.6170.3-177.80000108.7T516 L517 A518V514-T516 PolarHBondContact O-N 2.7Å; V514-L517 HydrophobicContact CB-CB 4.5Å; V514-L517 WeakPolarHBondContact O-CA 3.37Å; V514-L517 VanDerWaalsContact O-CB 3.26Å; V514-L517 WeakPolarHBondContact O-CB 3.1Å; V514-L517 PolarHBondContact O-N 2.79Å; V514-A518 PolarHBondContact O-N 2.85Å; V514-A518 VanDerWaalsContact O-N 3.09Å
515Y93.7Very high93.7Very high64 Ų6453.1 Ų53.125%0.25130%0.295SS..Hα-helixtrans-49.5-41.1-174.9-179.8-102.3000113.8N414 D501 A504 T505 A508 A513 L517 A518 L519N414-Y515 WeakPolarHBondContact ND2-CE2 3.42Å; D501-Y515 PolarHBondContact OD1-OH 3.13Å; A504-Y515 HydrophobicContact CB-CD2 4.37Å; A504-Y515 HydrophobicContact CB-CE2 3.76Å; T505-Y515 WeakPolarHBondContact OG1-CE2 3.22Å; A508-Y515 HydrophobicContact CB-CD2 4.39Å; A513-Y515 PolarHBondContact O-N 3.42Å; Y515-L517 VanDerWaalsContact C-N 3.27Å; Y515-L517 PolarHBondContact O-N 3.38Å; Y515-A518 PolarHBondContact O-N 3.13Å; Y515-L519 HydrophobicContact CE1-CB 4.37Å; Y515-L519 HydrophobicContact CE1-CD2 4.04Å; Y515-L519 VanDerWaalsContact O-CB 3.28Å; Y515-L519 WeakPolarHBondContact O-CB 3.31Å; Y515-L519 PolarHBondContact O-N 3.36Å
516T94.3Very high93.8Very high87 Ų8755.3 Ų55.353%0.53431%0.31SS..Hα-helixtrans-64.4-31.4178.853.60000113.1V514 K520V514-T516 PolarHBondContact O-N 2.7Å; T516-K520 WeakPolarHBondContact O-CB 3.3Å; T516-K520 WeakPolarHBondContact O-CG 3.33Å; T516-K520 PolarHBondContact O-N 3.29Å; T516-K520 VanDerWaalsContact O-N 3.15Å
517L95.1Very high94.1Very high79 Ų7953.2 Ų53.241%0.41430%0.3SS..Hα-helixtrans-72.8-47173.7-176.468.8000110.6V514 Y515 L519 T521 H522V514-L517 HydrophobicContact CB-CB 4.5Å; V514-L517 WeakPolarHBondContact O-CA 3.37Å; V514-L517 VanDerWaalsContact O-CB 3.26Å; V514-L517 WeakPolarHBondContact O-CB 3.1Å; V514-L517 PolarHBondContact O-N 2.79Å; Y515-L517 VanDerWaalsContact C-N 3.27Å; Y515-L517 PolarHBondContact O-N 3.38Å; L517-L519 PolarHBondContact O-N 2.9Å; L517-T521 HydrophobicContact CD1-CG2 4.34Å; L517-T521 WeakPolarHBondContact CD1-OG1 3.24Å; L517-T521 WeakPolarHBondContact O-CA 3.45Å; L517-T521 WeakPolarHBondContact O-CB 3.44Å; L517-T521 PolarHBondContact O-N 3.39Å; L517-T521 PolarHBondContact O-OG1 3.03Å; L517-H522 PolarHBondContact O-N 2.94Å
518A95.2Very high94.2Very high0 Ų055.4 Ų55.40%031%0.31CS..Iπ-helixtrans-57.3-48.317600000111.4A504 E507 A508 V514 Y515 H522 V523A504-A518 HydrophobicContact CB-CB 4.42Å; E507-A518 HydrophobicContact CB-CB 4.18Å; E507-A518 HydrophobicContact CG-CB 3.87Å; A508-A518 HydrophobicContact CB-CB 4.11Å; V514-A518 PolarHBondContact O-N 2.85Å; V514-A518 VanDerWaalsContact O-N 3.09Å; Y515-A518 PolarHBondContact O-N 3.13Å; A518-H522 PolarHBondContact O-N 3.04Å; A518-V523 WeakPolarHBondContact O-CG2 3.04Å; A518-V523 PolarHBondContact O-N 3.35Å
519L95.3Very high94.4Very high34 Ų3457.9 Ų57.918%0.17832%0.323CS..Iπ-helixtrans-63.2-53.2-179-173.474.1000112.7Q500 D501 A504 Y515 L517 G524Q500-L519 HydrophobicContact CG-CD1 3.85Å; Q500-L519 PolarHBondContact NE2-O 3.47Å; D501-L519 WeakPolarHBondContact OD1-CD1 3.46Å; A504-L519 HydrophobicContact CB-CB 3.89Å; A504-L519 HydrophobicContact CB-CD1 3.64Å; A504-L519 HydrophobicContact CB-CG 4.41Å; Y515-L519 HydrophobicContact CE1-CB 4.37Å; Y515-L519 HydrophobicContact CE1-CD2 4.04Å; Y515-L519 VanDerWaalsContact O-CB 3.28Å; Y515-L519 WeakPolarHBondContact O-CB 3.31Å; Y515-L519 PolarHBondContact O-N 3.36Å; L517-L519 PolarHBondContact O-N 2.9Å; L519-G524 PolarHBondContact O-N 3.13Å
520K92.3Very high94.6Very high154 Ų15460.6 Ų60.667%0.6734%0.335SS*.Iπ-helixtrans-83.6-33.6-171.9-66.8-172.5175.8-174.90113.4T516T516-K520 WeakPolarHBondContact O-CB 3.3Å; T516-K520 WeakPolarHBondContact O-CG 3.33Å; T516-K520 PolarHBondContact O-N 3.29Å; T516-K520 VanDerWaalsContact O-N 3.15Å
521T92.8Very high94.8Very high56 Ų5659.6 Ų59.634%0.34433%0.325SS..Iπ-helixtrans-104.7-61.8-170.2-48.60000110.4L517 M525L517-T521 HydrophobicContact CD1-CG2 4.34Å; L517-T521 WeakPolarHBondContact CD1-OG1 3.24Å; L517-T521 WeakPolarHBondContact O-CA 3.45Å; L517-T521 WeakPolarHBondContact O-CB 3.44Å; L517-T521 PolarHBondContact O-N 3.39Å; L517-T521 PolarHBondContact O-OG1 3.03Å; T521-M525 HydrophobicContact CG2-SD 3.67Å; T521-M525 WeakPolarHBondContact O-CB 3.43Å; T521-M525 WeakPolarHBondContact O-CG 3.4Å; T521-M525 PolarHBondContact O-N 3.32Å
522H95.8Very high94.9Very high65 Ų6563.6 Ų63.630%0.30133%0.332SS..Iπ-helixtrans-65-55.8-173.4-58.3-175.3000110.8E507 L517 A518 S526E507-H522 HydrophobicContact CG-CB 3.97Å; E507-H522 WeakPolarHBondContact CG-ND1 3.38Å; E507-H522 IonicContact OE1-CE1 3.73Å; E507-H522 IonicContact OE1-CG 2.74Å; E507-H522 IonicContact OE1-ND1 3.67Å; E507-H522 PolarHBondContact OE1-ND1 2.83Å; L517-H522 PolarHBondContact O-N 2.94Å; A518-H522 PolarHBondContact O-N 3.04Å; H522-S526 VanDerWaalsContact O-CB 3.29Å; H522-S526 WeakPolarHBondContact O-CB 3.48Å; H522-S526 PolarHBondContact O-N 3.38Å; H522-S526 PolarHBondContact O-OG 2.99Å
523V96.6Very high94.9Very high11 Ų1167.6 Ų67.67%0.06734%0.34CS..Iπ-helixtrans-80.2-49.4-179.7-172.80000110.5Q500 L503 A504 A518 M525 S526 I527Q500-V523 HydrophobicContact CG-CB 4.35Å; Q500-V523 HydrophobicContact CG-CG1 3.78Å; L503-V523 HydrophobicContact CB-CG1 3.98Å; L503-V523 HydrophobicContact CB-CG2 4.02Å; L503-V523 HydrophobicContact CD1-CG1 4.09Å; A504-V523 HydrophobicContact CB-CG2 4.21Å; A518-V523 WeakPolarHBondContact O-CG2 3.04Å; A518-V523 PolarHBondContact O-N 3.35Å; V523-M525 PolarHBondContact O-N 3.48Å; V523-S526 WeakPolarHBondContact O-CB 3.42Å; V523-S526 PolarHBondContact O-N 3.41Å; V523-S526 VanDerWaalsContact O-N 3.09Å; V523-I527 HydrophobicContact CG1-CD1 4.02Å; V523-I527 HydrophobicContact CG1-CG1 4.49Å; V523-I527 WeakPolarHBondContact O-CG1 3.21Å; V523-I527 PolarHBondContact O-N 2.82Å
524G94.7Very high94.9Very high12 Ų1266.7 Ų66.712%0.12433%0.333CS..Hα-helixtrans-55.6-47.3-178.300000113.9L519 I527 Q528L519-G524 PolarHBondContact O-N 3.13Å; G524-I527 PolarHBondContact O-N 3.01Å; G524-Q528 WeakPolarHBondContact O-CG 3.44Å; G524-Q528 PolarHBondContact O-N 2.88Å
525M96.3Very high94.6Very high113 Ų11362 Ų6256%0.55731%0.305SS*.Hα-helixtrans-73.9-28.5177.5-61.7-179.657.100112.7T521 V523 Q528 T529T521-M525 HydrophobicContact CG2-SD 3.67Å; T521-M525 WeakPolarHBondContact O-CB 3.43Å; T521-M525 WeakPolarHBondContact O-CG 3.4Å; T521-M525 PolarHBondContact O-N 3.32Å; V523-M525 PolarHBondContact O-N 3.48Å; M525-Q528 PolarHBondContact O-N 2.93Å; M525-T529 WeakPolarHBondContact O-CB 3.39Å; M525-T529 PolarHBondContact O-N 3.02Å; M525-T529 PolarHBondContact O-OG1 3.16Å
526S96.6Very high94.3Very high52 Ų5263.9 Ų63.936%0.36431%0.312SS..Hα-helixtrans-62.9-44.6173.4-65.40000111.1H522 V523 Q528 T529 F530H522-S526 VanDerWaalsContact O-CB 3.29Å; H522-S526 WeakPolarHBondContact O-CB 3.48Å; H522-S526 PolarHBondContact O-N 3.38Å; H522-S526 PolarHBondContact O-OG 2.99Å; V523-S526 WeakPolarHBondContact O-CB 3.42Å; V523-S526 PolarHBondContact O-N 3.41Å; V523-S526 VanDerWaalsContact O-N 3.09Å; S526-Q528 VanDerWaalsContact C-N 3.35Å; S526-Q528 PolarHBondContact O-N 3.31Å; S526-T529 WeakPolarHBondContact O-CB 3.28Å; S526-T529 PolarHBondContact O-N 3.26Å; S526-T529 VanDerWaalsContact O-N 3.13Å; S526-F530 VanDerWaalsContact O-CD2 3.27Å; S526-F530 WeakPolarHBondContact O-CD2 3.34Å; S526-F530 PolarHBondContact O-N 3.32Å
527I97.6Very high93.8Very high1 Ų161.4 Ų61.41%0.00530%0.297CS..Hα-helixtrans-55.9-50.1173.4-66.3161000110.4A493 M496 E497 Q500 V523 G524 T529 F530 R531A493-I527 HydrophobicContact CB-CG2 4.48Å; M496-I527 HydrophobicContact CB-CD1 4.34Å; M496-I527 HydrophobicContact CB-CG1 3.72Å; M496-I527 HydrophobicContact CE-CG1 4.19Å; E497-I527 HydrophobicContact CB-CD1 4.12Å; E497-I527 HydrophobicContact CB-CG2 4.27Å; Q500-I527 HydrophobicContact CB-CD1 4.32Å; Q500-I527 HydrophobicContact CG-CD1 3.99Å; V523-I527 HydrophobicContact CG1-CD1 4.02Å; V523-I527 HydrophobicContact CG1-CG1 4.49Å; V523-I527 WeakPolarHBondContact O-CG1 3.21Å; V523-I527 PolarHBondContact O-N 2.82Å; G524-I527 PolarHBondContact O-N 3.01Å; I527-T529 VanDerWaalsContact C-N 3.26Å; I527-T529 PolarHBondContact O-N 2.81Å; I527-F530 PolarHBondContact O-N 3.26Å; I527-R531 WeakPolarHBondContact O-CG 3.32Å; I527-R531 PolarHBondContact O-N 3.05Å
528Q96.9Very high92.9Very high110 Ų11061.4 Ų61.451%0.51430%0.298SS..Hα-helixtrans-62.7-34.1179.4-63.6-55.6-41.800112.5G524 M525 S526 R531 Y532G524-Q528 WeakPolarHBondContact O-CG 3.44Å; G524-Q528 PolarHBondContact O-N 2.88Å; M525-Q528 PolarHBondContact O-N 2.93Å; S526-Q528 VanDerWaalsContact C-N 3.35Å; S526-Q528 PolarHBondContact O-N 3.31Å; Q528-R531 PolarHBondContact O-N 2.86Å; Q528-Y532 WeakPolarHBondContact O-CB 3.47Å; Q528-Y532 PolarHBondContact O-N 2.65Å
529T96.5Very high91.9Very high67 Ų6767.5 Ų67.541%0.41132%0.324SS..Hα-helixtrans-65.6-46.1176-59.60000111.3M525 S526 I527 R531 Y532 F533M525-T529 WeakPolarHBondContact O-CB 3.39Å; M525-T529 PolarHBondContact O-N 3.02Å; M525-T529 PolarHBondContact O-OG1 3.16Å; S526-T529 WeakPolarHBondContact O-CB 3.28Å; S526-T529 PolarHBondContact O-N 3.26Å; S526-T529 VanDerWaalsContact O-N 3.13Å; I527-T529 VanDerWaalsContact C-N 3.26Å; I527-T529 PolarHBondContact O-N 2.81Å; T529-R531 PolarHBondContact O-N 2.89Å; T529-Y532 WeakPolarHBondContact O-CB 3.39Å; T529-Y532 PolarHBondContact O-N 3.13Å; T529-F533 HydrophobicContact CG2-CD2 3.7Å; T529-F533 HydrophobicContact CG2-CE2 3.55Å; T529-F533 VanDerWaalsContact O-CD2 3.26Å; T529-F533 WeakPolarHBondContact O-CD2 3.29Å; T529-F533 PolarHBondContact O-N 3.25Å
530F96.7Very high90.6Very high77 Ų7770.9 Ų70.934%0.33834%0.342SS..Hα-helixtrans-60.6-45173.8-79.8-69000111.8I489 L492 A493 M496 S526 I527 Y532 F533 A534I489-F530 HydrophobicContact CG2-CB 4.35Å; I489-F530 HydrophobicContact CG2-CD1 4Å; L492-F530 HydrophobicContact CD2-CD1 4.11Å; L492-F530 HydrophobicContact CD2-CE1 3.81Å; L492-F530 HydrophobicContact CD2-CZ 4.11Å; A493-F530 HydrophobicContact CB-CB 3.97Å; M496-F530 HydrophobicContact CE-CD2 3.99Å; M496-F530 HydrophobicContact CE-CE2 3.9Å; M496-F530 HydrophobicContact SD-CD2 3.47Å; M496-F530 WeakPolarHBondContact SD-CD2 3.36Å; M496-F530 HydrophobicContact SD-CE2 3.54Å; M496-F530 VanDerWaalsContact SD-CE2 3.54Å; M496-F530 HydrophobicContact SD-CG 4.42Å; S526-F530 VanDerWaalsContact O-CD2 3.27Å; S526-F530 WeakPolarHBondContact O-CD2 3.34Å; S526-F530 PolarHBondContact O-N 3.32Å; I527-F530 PolarHBondContact O-N 3.26Å; F530-Y532 VanDerWaalsContact C-N 3.29Å; F530-Y532 PolarHBondContact O-N 3.45Å; F530-F533 PolarHBondContact O-N 3.21Å; F530-A534 VanDerWaalsContact O-CB 3.29Å; F530-A534 WeakPolarHBondContact O-CB 3.3Å; F530-A534 PolarHBondContact O-N 3.36Å
531R96Very high89.1Confident54 Ų5470 Ų7020%0.20434%0.34CS..Hα-helixtrans-59.8-39.9176.4-69.6-170.1179.3-67.62.6112.4Y490 A493 D494 E497 I527 Q528 T529 G535Y490-R531 HydrophobicContact CE1-CB 4.29Å; Y490-R531 WeakPolarHBondContact CE1-O 3.43Å; Y490-R531 PolarHBondContact OH-O 2.88Å; A493-R531 HydrophobicContact CB-CG 3.64Å; D494-R531 IonicContact OD1-CZ 3.62Å; D494-R531 IonicContact OD1-NH1 3.73Å; D494-R531 PolarHBondContact OD1-NH1 2.93Å; D494-R531 IonicContact OD1-NH2 3Å; D494-R531 PolarHBondContact OD1-NH2 2.87Å; E497-R531 IonicContact OE2-CZ 3.61Å; E497-R531 IonicContact OE2-NE 2.82Å; E497-R531 IonicContact OE2-NH2 2.66Å; E497-R531 PolarHBondContact OE2-NH2 2.96Å; I527-R531 WeakPolarHBondContact O-CG 3.32Å; I527-R531 PolarHBondContact O-N 3.05Å; Q528-R531 PolarHBondContact O-N 2.86Å; T529-R531 PolarHBondContact O-N 2.89Å; R531-G535 PolarHBondContact O-N 2.76Å
532Y92.9Very high87.7Confident140 Ų14069.6 Ų69.655%0.54935%0.347SS..Hα-helixtrans-61.2-56.6176.1-177.8-102.3000110.6Q528 T529 F530 A534 G535 W536Q528-Y532 WeakPolarHBondContact O-CB 3.47Å; Q528-Y532 PolarHBondContact O-N 2.65Å; T529-Y532 WeakPolarHBondContact O-CB 3.39Å; T529-Y532 PolarHBondContact O-N 3.13Å; F530-Y532 VanDerWaalsContact C-N 3.29Å; F530-Y532 PolarHBondContact O-N 3.45Å; Y532-A534 PolarHBondContact O-N 2.86Å; Y532-G535 PolarHBondContact O-N 2.69Å; Y532-G535 VanDerWaalsContact O-N 3.12Å; Y532-W536 AromaticContact CD1-CD1 3.72Å; Y532-W536 AromaticContact CD1-NE1 3.59Å; Y532-W536 AromaticContact CE1-CD1 3.59Å; Y532-W536 AromaticContact CE1-CE2 3.94Å; Y532-W536 HydrophobicContact CE1-CZ2 4.47Å; Y532-W536 AromaticContact CE1-NE1 2.99Å; Y532-W536 AromaticContact CE2-NE1 3.54Å; Y532-W536 AromaticContact CZ-CD1 3.95Å; Y532-W536 AromaticContact CZ-CE2 3.81Å; Y532-W536 AromaticContact CZ-NE1 2.98Å; Y532-W536 VanDerWaalsContact O-CD1 3.23Å; Y532-W536 PolarHBondContact O-N 2.97Å; Y532-W536 WeakPolarHBondContact OH-CZ2 3.39Å; Y532-W536 PolarHBondContact OH-NE1 3.37Å
533F92.3Very high86Confident121 Ų12171 Ų7153%0.53136%0.364SS..Hα-helixtrans-67.4-31.2-177.8-74.2-64.6000114.1T529 F530 G535 W536 C537T529-F533 HydrophobicContact CG2-CD2 3.7Å; T529-F533 HydrophobicContact CG2-CE2 3.55Å; T529-F533 VanDerWaalsContact O-CD2 3.26Å; T529-F533 WeakPolarHBondContact O-CD2 3.29Å; T529-F533 PolarHBondContact O-N 3.25Å; F530-F533 PolarHBondContact O-N 3.21Å; F533-G535 VanDerWaalsContact C-N 3.25Å; F533-G535 PolarHBondContact O-N 3.09Å; F533-W536 WeakPolarHBondContact O-CB 3.46Å; F533-W536 PolarHBondContact O-N 2.97Å; F533-C537 PolarHBondContact O-N 3.43Å; F533-C537 PolarHBondContact O-SG 3.25Å
534A91.9Very high84.4Confident1 Ų173.8 Ų73.81%0.00838%0.382CS..Hα-helixtrans-54.9-45.3170.400000111.1I489 Y490 F530 Y532 W536 C537I489-A534 HydrophobicContact CB-CB 3.79Å; I489-A534 HydrophobicContact CG2-CB 3.73Å; Y490-A534 HydrophobicContact CD1-CB 3.69Å; Y490-A534 HydrophobicContact CD2-CB 3.72Å; Y490-A534 HydrophobicContact CE1-CB 3.66Å; Y490-A534 HydrophobicContact CE2-CB 3.7Å; Y490-A534 HydrophobicContact CG-CB 3.71Å; F530-A534 VanDerWaalsContact O-CB 3.29Å; F530-A534 WeakPolarHBondContact O-CB 3.3Å; F530-A534 PolarHBondContact O-N 3.36Å; Y532-A534 PolarHBondContact O-N 2.86Å; A534-W536 VanDerWaalsContact C-N 3.25Å; A534-W536 PolarHBondContact O-N 3.22Å; A534-C537 WeakPolarHBondContact O-CB 3.49Å; A534-C537 PolarHBondContact O-N 2.99Å
535G88.3Confident83.2Confident5 Ų576 Ų765%0.05239%0.39CS..Hα-helixtrans-70.7-15.9177.500000114.6Y490 R531 Y532 F533 K539Y490-G535 WeakPolarHBondContact OH-CA 3.36Å; Y490-G535 PolarHBondContact OH-N 3.18Å; R531-G535 PolarHBondContact O-N 2.76Å; Y532-G535 PolarHBondContact O-N 2.69Å; Y532-G535 VanDerWaalsContact O-N 3.12Å; F533-G535 VanDerWaalsContact C-N 3.25Å; F533-G535 PolarHBondContact O-N 3.09Å; G535-K539 WeakPolarHBondContact O-CD 3.46Å; G535-K539 WeakPolarHBondContact O-CE 3.48Å; G535-K539 VanDerWaalsContact O-CG 3.23Å; G535-K539 WeakPolarHBondContact O-CG 3.44Å
536W86.4Confident81.7Confident103 Ų10373.1 Ų73.139%0.3938%0.38SS..Hα-helixtrans-81.1-21.3174.1-83.792.3000113Y532 F533 A534 D538 K539 I540Y532-W536 AromaticContact CD1-CD1 3.72Å; Y532-W536 AromaticContact CD1-NE1 3.59Å; Y532-W536 AromaticContact CE1-CD1 3.59Å; Y532-W536 AromaticContact CE1-CE2 3.94Å; Y532-W536 HydrophobicContact CE1-CZ2 4.47Å; Y532-W536 AromaticContact CE1-NE1 2.99Å; Y532-W536 AromaticContact CE2-NE1 3.54Å; Y532-W536 AromaticContact CZ-CD1 3.95Å; Y532-W536 AromaticContact CZ-CE2 3.81Å; Y532-W536 AromaticContact CZ-NE1 2.98Å; Y532-W536 VanDerWaalsContact O-CD1 3.23Å; Y532-W536 PolarHBondContact O-N 2.97Å; Y532-W536 WeakPolarHBondContact OH-CZ2 3.39Å; Y532-W536 PolarHBondContact OH-NE1 3.37Å; F533-W536 WeakPolarHBondContact O-CB 3.46Å; F533-W536 PolarHBondContact O-N 2.97Å; A534-W536 VanDerWaalsContact C-N 3.25Å; A534-W536 PolarHBondContact O-N 3.22Å; W536-D538 PolarHBondContact O-N 2.91Å; W536-D538 VanDerWaalsContact O-N 3.13Å; W536-K539 PolarHBondContact O-N 2.84Å; W536-I540 HydrophobicContact CB-CD1 4.3Å; W536-I540 HydrophobicContact CB-CG1 4.16Å; W536-I540 HydrophobicContact CD2-CG1 4.3Å; W536-I540 HydrophobicContact CE3-CD1 4.33Å; W536-I540 HydrophobicContact CE3-CG1 3.43Å; W536-I540 VanDerWaalsContact CE3-CG1 3.43Å; W536-I540 HydrophobicContact CZ3-CG1 4.15Å; W536-I540 WeakPolarHBondContact O-CG1 3.26Å; W536-I540 PolarHBondContact O-N 3.41Å
537C84.4Confident80.4Confident34 Ų3473.5 Ų73.523%0.2338%0.377CS..THydrogen-bonded Turntrans-54.5-38.8-173.8-68.90000112.5P482 F533 A534P482-C537 WeakPolarHBondContact CB-O 3.36Å; P482-C537 VanDerWaalsContact O-CB 3.25Å; P482-C537 WeakPolarHBondContact O-CB 3.49Å; F533-C537 PolarHBondContact O-N 3.43Å; F533-C537 PolarHBondContact O-SG 3.25Å; A534-C537 WeakPolarHBondContact O-CB 3.49Å; A534-C537 PolarHBondContact O-N 2.99Å
538D75.9Confident78.8Confident80 Ų8076.5 Ų76.543%0.42839%0.393SS..THydrogen-bonded Turntrans-101.91176.568.3-17.6000114.4W536W536-D538 PolarHBondContact O-N 2.91Å; W536-D538 VanDerWaalsContact O-N 3.13Å
539K74.1Confident77.3Confident127 Ų12775.7 Ų75.755%0.55239%0.389SS*.THydrogen-bonded Turntrans-111.9-12.5-176.3-62178-157.4167.10114.6G535 W536 Q541G535-K539 WeakPolarHBondContact O-CD 3.46Å; G535-K539 WeakPolarHBondContact O-CE 3.48Å; G535-K539 VanDerWaalsContact O-CG 3.23Å; G535-K539 WeakPolarHBondContact O-CG 3.44Å; W536-K539 PolarHBondContact O-N 2.84Å; K539-Q541 PolarHBondContact O-N 3.02Å
540I67Low75.8Confident105 Ų10575 Ų7554%0.53839%0.391SS..  trans-68.298.8169-63.3173.1000108.3W536W536-I540 HydrophobicContact CB-CD1 4.3Å; W536-I540 HydrophobicContact CB-CG1 4.16Å; W536-I540 HydrophobicContact CD2-CG1 4.3Å; W536-I540 HydrophobicContact CE3-CD1 4.33Å; W536-I540 HydrophobicContact CE3-CG1 3.43Å; W536-I540 VanDerWaalsContact CE3-CG1 3.43Å; W536-I540 HydrophobicContact CZ3-CG1 4.15Å; W536-I540 WeakPolarHBondContact O-CG1 3.26Å; W536-I540 PolarHBondContact O-N 3.41Å
541Q61.4Low73.6Confident135 Ų13582.5 Ų82.563%0.63142%0.416SS*.  trans-93.2103.8176.1-63.4174.611.800108.3K539K539-Q541 PolarHBondContact O-N 3.02Å
542G62.8Low71.6Confident48 Ų4885.9 Ų85.950%0.49545%0.445SS..  trans-78-155.4168.900000111.6T544G542-T544 PolarHBondContact N-O 3.07Å; G542-T544 PolarHBondContact O-N 2.78Å; G542-T544 VanDerWaalsContact O-N 3.12Å
543S61.3Low69.8Low95 Ų9584 Ų8466%0.66445%0.445SS*.SBendtrans-58.8-17.5164.4-50.10000112.7T559S543-T559 PolarHBondContact O-N 2.64Å
544T62Low68.6Low70 Ų7089.5 Ų89.543%0.42946%0.462SS..BIsolated β-bridgetrans-120.7136.9174.754.40000109.7G542 L556 T557 F558G542-T544 PolarHBondContact N-O 3.07Å; G542-T544 PolarHBondContact O-N 2.78Å; G542-T544 VanDerWaalsContact O-N 3.12Å; T544-L556 HydrophobicContact CG2-CD1 4.28Å; T544-T557 CarbonylContact C-O 3.46Å; T544-T557 VanDerWaalsContact CA-O 3.24Å; T544-T557 WeakPolarHBondContact CA-O 3.42Å; T544-T557 VanDerWaalsContact CB-O 3.27Å; T544-T557 WeakPolarHBondContact CB-O 3.43Å; T544-F558 HydrophobicContact CG2-CB 4.05Å
545I69.6Low67.6Low59 Ų5992.2 Ų92.230%0.30348%0.477SS..  trans-87120.4173.3-58.8174.9000106.5I547 T557I545-I547 HydrophobicContact CG2-CG2 4.1Å; I545-I547 PolarHBondContact O-N 3.44Å; I545-T557 HydrophobicContact CB-CG2 3.84Å; I545-T557 HydrophobicContact CD1-CG2 4.17Å; I545-T557 HydrophobicContact CG1-CG2 4.28Å; I545-T557 PolarHBondContact N-O 3.2Å
546P65Low67Low52 Ų5298.3 Ų98.334%0.33851%0.507SS..  trans-66.6106.6175.326.2-30.4000108.6P482P482-P546 HydrophobicContact CG-CB 4.1Å
547I68.8Low66.3Low60 Ų6095.6 Ų95.631%0.30850%0.502SS..  trans-107153175.260.4154.4000110.7I545 Q549 N555 T557I545-I547 HydrophobicContact CG2-CG2 4.1Å; I545-I547 PolarHBondContact O-N 3.44Å; I547-Q549 PolarHBondContact O-N 3.23Å; I547-N555 HydrophobicContact CD1-CB 3.45Å; I547-N555 VanDerWaalsContact CD1-CB 3.45Å; I547-N555 HydrophobicContact CG1-CB 4.4Å; I547-T557 WeakPolarHBondContact CD1-OG1 3.47Å; I547-T557 WeakPolarHBondContact CG1-OG1 3.35Å; I547-T557 HydrophobicContact CG2-CG2 4.37Å; I547-T557 WeakPolarHBondContact CG2-OG1 3.29Å
548N64.3Low65.9Low64 Ų64100.3 Ų100.334%0.34252%0.519SS..  trans-64.7134.5170.5-820.7000110.4R483 A550R483-N548 PolarHBondContact NH1-ND2 3.11Å; R483-N548 PolarHBondContact NH2-ND2 2.63Å; N548-A550 PolarHBondContact O-N 2.96Å
549Q66.3Low65.8Low93 Ų9399.9 Ų99.944%0.43552%0.519SS..  trans-67.2121.4173.4-57.1-59.3-11.900109.1I547 R551 R554 N555I547-Q549 PolarHBondContact O-N 3.23Å; Q549-R551 VanDerWaalsContact C-N 3.31Å; Q549-R551 PolarHBondContact O-N 2.91Å; Q549-R554 VanDerWaalsContact OE1-C 3.24Å; Q549-N555 PolarHBondContact NE2-O 3.22Å; Q549-N555 PolarHBondContact OE1-O 3.09Å; Q549-N555 VanDerWaalsContact OE1-O 3.12Å; Q549-N555 VanDerWaalsContact NE2-O 3.13Å
550A64.3Low65.9Low53 Ų53100.9 Ų100.944%0.43852%0.523SS..  trans-78.387.2170.800000108N548 N553 N555N548-A550 PolarHBondContact O-N 2.96Å; A550-N553 CarbonylContact C-O 3.56Å; A550-N553 WeakPolarHBondContact O-CA 3.43Å; A550-N553 WeakPolarHBondContact O-CB 3.46Å; A550-N553 PolarHBondContact O-N 3.31Å; A550-N555 WeakPolarHBondContact CB-ND2 3.35Å; A550-N555 PolarHBondContact N-ND2 3.4Å
551R51.8Low66.4Low233 Ų233104.9 Ų104.988%0.87954%0.537SS*.THydrogen-bonded Turntrans-50.5136178.8-69-170.9180-168.80.8110Q549Q549-R551 VanDerWaalsContact C-N 3.31Å; Q549-R551 PolarHBondContact O-N 2.91Å
552P53.4Low67.2Low125 Ų125104.6 Ų104.681%0.81254%0.536SS*.THydrogen-bonded Turncis-84.9-39.635.3-36.5000114.8
553N54.3Low67.8Low102 Ų102108.1 Ų108.155%0.54555%0.55SS..SBendtrans-82.6146.9-171.7-61.9-31.4000112.1A550A550-N553 CarbonylContact C-O 3.56Å; A550-N553 WeakPolarHBondContact O-CA 3.43Å; A550-N553 WeakPolarHBondContact O-CB 3.46Å; A550-N553 PolarHBondContact O-N 3.31Å
554R67.9Low68Low236 Ų236112.4 Ų112.489%0.89156%0.563SS**  trans-93.1104.2164-73.8-174.4170.9-178.4-1.6109.2Q549Q549-R554 VanDerWaalsContact OE1-C 3.24Å
555N70.5Confident67.8Low58 Ų58115.9 Ų115.931%0.3161%0.613SS.*  trans-83.2138.6172.4-54.6-19.8000110.6I547 Q549 A550I547-N555 HydrophobicContact CD1-CB 3.45Å; I547-N555 VanDerWaalsContact CD1-CB 3.45Å; I547-N555 HydrophobicContact CG1-CB 4.4Å; Q549-N555 PolarHBondContact NE2-O 3.22Å; Q549-N555 PolarHBondContact OE1-O 3.09Å; Q549-N555 VanDerWaalsContact OE1-O 3.12Å; Q549-N555 VanDerWaalsContact NE2-O 3.13Å; A550-N555 WeakPolarHBondContact CB-ND2 3.35Å; A550-N555 PolarHBondContact N-ND2 3.4Å
556L74.9Confident67.7Low132 Ų132118.7 Ų118.769%0.69163%0.628SS**  trans-118.8124.4171.7176.865.9000108.3T544 F558T544-L556 HydrophobicContact CG2-CD1 4.28Å; L556-F558 HydrophobicContact CG-CD1 4.35Å; L556-F558 HydrophobicContact CD2-CD1 4.38Å
557T72.8Confident67.8Low46 Ų46122.2 Ų122.228%0.28264%0.643SS.*  trans-111.1123.8170.1-61.40000109.1T544 I545 I547T544-T557 CarbonylContact C-O 3.46Å; T544-T557 VanDerWaalsContact CA-O 3.24Å; T544-T557 WeakPolarHBondContact CA-O 3.42Å; T544-T557 VanDerWaalsContact CB-O 3.27Å; T544-T557 WeakPolarHBondContact CB-O 3.43Å; I545-T557 HydrophobicContact CB-CG2 3.84Å; I545-T557 HydrophobicContact CD1-CG2 4.17Å; I545-T557 HydrophobicContact CG1-CG2 4.28Å; I545-T557 PolarHBondContact N-O 3.2Å; I547-T557 WeakPolarHBondContact CD1-OG1 3.47Å; I547-T557 WeakPolarHBondContact CG1-OG1 3.35Å; I547-T557 HydrophobicContact CG2-CG2 4.37Å; I547-T557 WeakPolarHBondContact CG2-OG1 3.29Å
558F75.4Confident67.8Low134 Ų134125.7 Ų125.759%0.58866%0.662SS**BIsolated β-bridgetrans-128147.8176.362.9-87.9000110.7T544 L556T544-F558 HydrophobicContact CG2-CB 4.05Å; L556-F558 HydrophobicContact CG-CD1 4.35Å; L556-F558 HydrophobicContact CD2-CD1 4.38Å
559T74.7Confident68Low70 Ų70129.3 Ų129.343%0.42968%0.681SS.*  trans-87.7110.2177.6-57.40000108.5S543 K561S543-T559 PolarHBondContact O-N 2.64Å; T559-K561 PolarHBondContact O-N 3.04Å
560K75.1Confident68.1Low148 Ų148131.6 Ų131.664%0.64370%0.696SS**  trans-80.3116171-169-175.3180-162.70108.9E562K560-E562 HydrophobicContact CD-CG 4.1Å; K560-E562 WeakPolarHBondContact CD-OE1 3.39Å; K560-E562 WeakPolarHBondContact CE-OE1 3.41Å; K560-E562 HydrophobicContact CG-CG 4.16Å; K560-E562 IonicContact NZ-OE1 2.69Å; K560-E562 PolarHBondContact NZ-OE1 3.19Å
561K77.4Confident68.3Low189 Ų189136.8 Ų136.882%0.82271%0.714SS**  trans-84.1114.1171.4-63.8-177.8-178.9-179.80108.2T559T559-K561 PolarHBondContact O-N 3.04Å
562E77.8Confident69.5Low130 Ų130129.9 Ų129.961%0.60770%0.702SS**  trans-104.7134.7172.7-63.4-170.915800109.2K560 I564K560-E562 HydrophobicContact CD-CG 4.1Å; K560-E562 WeakPolarHBondContact CD-OE1 3.39Å; K560-E562 WeakPolarHBondContact CE-OE1 3.41Å; K560-E562 HydrophobicContact CG-CG 4.16Å; K560-E562 IonicContact NZ-OE1 2.69Å; K560-E562 PolarHBondContact NZ-OE1 3.19Å; E562-I564 PolarHBondContact O-N 3.42Å
563P76.9Confident70.8Confident121 Ų121130.3 Ų130.379%0.78669%0.693SS**  trans-65.5135.1173.226.7-31.1000109.6G565P563-G565 PolarHBondContact O-N 3.49Å
564I65.3Low72.1Confident186 Ų186132.7 Ų132.795%0.95471%0.706SS**  trans-87.591.9166.4-58.3178.6000105.8E562E562-I564 PolarHBondContact O-N 3.42Å
565G56.8Low72.5Confident142 Ų142123.3 Ų123.3100%1.46469%0.689SS**  trans-1630-179.900000110.7P563P563-G565 PolarHBondContact O-N 3.49Å

Retrieved 565 of 565 residues in 1621.6 ms (Link to these results)

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