A0A077Z8K8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8K8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 454 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
1M81Confident91.7Very high185 Ų18560.3 Ų60.391%0.91132%0.32SS*.  0158.30-69.2177.1-157.700107.5R60 T62M1-R60 VanDerWaalsContact CB-O 3.26Å; M1-R60 WeakPolarHBondContact CB-O 3.21Å; M1-R60 WeakPolarHBondContact CG-O 3.3Å; M1-T62 WeakPolarHBondContact CB-OG1 3.48Å
2Q92.5Very high91.4Very high116 Ų11670.1 Ų70.154%0.54236%0.363SS..EExtended strand (participates in β ladder)trans-91.5142.5173.6-73.1176.2-17.400109.3V33 Y61 T62Q2-V33 HydrophobicContact CB-CG1 4.44Å; Q2-Y61 HydrophobicContact CB-CD1 4.06Å; Q2-Y61 HydrophobicContact CB-CE1 4.3Å; Q2-Y61 CarbonylContact O-C 3.21Å; Q2-Y61 VanDerWaalsContact O-CA 3.26Å; Q2-Y61 WeakPolarHBondContact O-CA 3.25Å; Q2-T62 PolarHBondContact O-N 3.03Å
3E96.2Very high91.4Very high102 Ų10273.4 Ų73.448%0.47739%0.388SS..EExtended strand (participates in β ladder)trans-69.8142.1172.5-65.5-177174.200110.6K34 I64E3-K34 HydrophobicContact CB-CD 4.05Å; E3-K34 HydrophobicContact CB-CG 4.36Å; E3-K34 WeakPolarHBondContact O-CA 3.4Å; E3-K34 WeakPolarHBondContact O-CB 3.29Å; E3-K34 IonicContact OE2-NZ 3.79Å; E3-K34 PolarHBondContact OE2-NZ 3.27Å; E3-I64 HydrophobicContact CB-CD1 3.79Å; E3-I64 VanDerWaalsContact CD-CD1 3.47Å; E3-I64 HydrophobicContact CG-CD1 3.81Å; E3-I64 VanDerWaalsContact OE2-CD1 3.29Å; E3-I64 WeakPolarHBondContact OE2-CD1 3.41Å
4C97.6Very high91.4Very high0 Ų070.4 Ų70.40%037%0.372CS..EExtended strand (participates in β ladder)trans-143.4133.3174.6-167.10000110.5L6 G38 Y56 Y61 T62 P63 I64C4-L6 PolarHBondContact O-N 3.35Å; C4-G38 PolarHBondContact SG-N 3.07Å; C4-G38 VanDerWaalsContact SG-N 3.38Å; C4-Y56 HydrophobicContact CB-CD1 4.01Å; C4-Y56 HydrophobicContact CB-CE1 3.74Å; C4-Y61 HydrophobicContact CB-CD1 4.23Å; C4-Y61 HydrophobicContact CB-CD2 3.93Å; C4-Y61 HydrophobicContact CB-CG 3.69Å; C4-T62 PolarHBondContact N-O 3.48Å; C4-P63 CarbonylContact O-C 3.48Å; C4-P63 WeakPolarHBondContact O-CA 3.47Å; C4-I64 PolarHBondContact O-N 3.15Å
5N97.8Very high91.3Very high15 Ų1571.7 Ų71.78%0.0838%0.375CS..EExtended strand (participates in β ladder)trans-73.2116.5-178.7-68.8-11.3000110.5Y7 K34 G38 Y56 I64 V66N5-Y7 HydrophobicContact CB-CD2 4.41Å; N5-Y7 HydrophobicContact CB-CE1 4.1Å; N5-Y7 HydrophobicContact CB-CE2 3.78Å; N5-Y7 PolarHBondContact ND2-OH 3.37Å; N5-Y7 PolarHBondContact O-N 3.37Å; N5-K34 WeakPolarHBondContact CB-O 3.26Å; N5-K34 PolarHBondContact N-O 2.89Å; N5-K34 WeakPolarHBondContact OD1-CE 3.23Å; N5-K34 VanDerWaalsContact OD1-CG 3.24Å; N5-K34 WeakPolarHBondContact OD1-CG 3.2Å; N5-G38 WeakPolarHBondContact O-CA 3.43Å; N5-Y56 PolarHBondContact O-OH 3.03Å; N5-I64 CarbonylContact C-O 3.48Å; N5-I64 WeakPolarHBondContact CA-O 3.48Å; N5-V66 HydrophobicContact CB-CG2 4.01Å
6L96.9Very high91.3Very high6 Ų672.7 Ų72.73%0.03139%0.39CS..EExtended strand (participates in β ladder)trans-88.398.8166.4175.460.7000108.4C4 I8 P52 K53 Y56 P63 I64 E65 V66C4-L6 PolarHBondContact O-N 3.35Å; L6-I8 HydrophobicContact CG-CG1 4.15Å; L6-I8 PolarHBondContact O-N 3.14Å; L6-P52 HydrophobicContact CD1-CG 4.17Å; L6-K53 HydrophobicContact CD1-CG 4.41Å; L6-K53 HydrophobicContact CD2-CD 4.27Å; L6-K53 HydrophobicContact CD2-CG 3.71Å; L6-Y56 WeakPolarHBondContact CA-OH 3.34Å; L6-Y56 HydrophobicContact CB-CE1 4.19Å; L6-Y56 HydrophobicContact CD1-CE2 3.75Å; L6-P63 HydrophobicContact CB-CB 4.03Å; L6-P63 HydrophobicContact CD2-CB 4.22Å; L6-I64 PolarHBondContact N-O 3.39Å; L6-E65 HydrophobicContact CD2-CG 4.37Å; L6-E65 WeakPolarHBondContact O-CA 3.49Å; L6-V66 PolarHBondContact O-N 3.39Å
7Y95.5Very high91.4Very high12 Ų1271.3 Ų71.35%0.04739%0.386CS..EExtended strand (participates in β ladder)trans-73.9114.5176.7-59.8-76.5000110.6N5 F18 T35 I39 V66 I72 L76N5-Y7 HydrophobicContact CB-CD2 4.41Å; N5-Y7 HydrophobicContact CB-CE1 4.1Å; N5-Y7 HydrophobicContact CB-CE2 3.78Å; N5-Y7 PolarHBondContact ND2-OH 3.37Å; N5-Y7 PolarHBondContact O-N 3.37Å; Y7-F18 VanDerWaalsContact CB-CZ 3.46Å; Y7-F18 HydrophobicContact CD1-CZ 4.18Å; Y7-F18 HydrophobicContact CD2-CZ 4.16Å; Y7-F18 HydrophobicContact CG-CE2 4.45Å; Y7-F18 AromaticContact CG-CZ 3.68Å; Y7-F18 HydrophobicContact CG-CZ 3.68Å; Y7-T35 WeakPolarHBondContact OH-CG2 3Å; Y7-I39 HydrophobicContact CE2-CG1 4.23Å; Y7-V66 CarbonylContact C-O 3.6Å; Y7-V66 WeakPolarHBondContact CA-O 3.38Å; Y7-V66 HydrophobicContact CD1-CB 3.9Å; Y7-V66 HydrophobicContact CD1-CG1 3.88Å; Y7-V66 HydrophobicContact CE1-CB 4.16Å; Y7-V66 HydrophobicContact CE1-CG1 3.96Å; Y7-I72 HydrophobicContact CD1-CG2 4.35Å; Y7-I72 HydrophobicContact CE1-CG2 4.09Å; Y7-L76 HydrophobicContact CE1-CD1 3.97Å; Y7-L76 HydrophobicContact CE1-CD2 4.3Å; Y7-L76 VanDerWaalsContact OH-CD2 3.31Å; Y7-L76 WeakPolarHBondContact OH-CD2 3.33Å
8I92.7Very high91.6Very high49 Ų4967.3 Ų67.325%0.25137%0.365SS..EExtended strand (participates in β ladder)trans-103.1111.8178.6-58.2-176.1000107.9L6 E65 V66 N67 V68L6-I8 HydrophobicContact CG-CG1 4.15Å; L6-I8 PolarHBondContact O-N 3.14Å; I8-E65 HydrophobicContact CD1-CB 3.82Å; I8-E65 VanDerWaalsContact CD1-CD 3.44Å; I8-E65 HydrophobicContact CD1-CG 3.74Å; I8-V66 PolarHBondContact N-O 2.94Å; I8-N67 WeakPolarHBondContact O-CA 3.48Å; I8-V68 PolarHBondContact O-N 3.25Å
9N86.6Confident91.6Very high37 Ų3766.7 Ų66.720%0.19836%0.358CS..  trans-91.2112.1170.6-174.227.9000110.4S11 E15 Y46 V68N9-S11 PolarHBondContact ND2-O 3.11Å; N9-S11 PolarHBondContact OD1-N 3.29Å; N9-S11 PolarHBondContact OD1-O 3.06Å; N9-E15 VanDerWaalsContact ND2-CA 3.28Å; N9-E15 WeakPolarHBondContact ND2-CA 3.48Å; N9-E15 WeakPolarHBondContact ND2-CB 3.16Å; N9-E15 PolarHBondContact ND2-N 2.62Å; N9-Y46 VanDerWaalsContact CB-OH 3.3Å; N9-Y46 WeakPolarHBondContact CB-OH 3.29Å; N9-V68 HydrophobicContact CB-CB 4.18Å; N9-V68 HydrophobicContact CB-CG2 4.17Å
10S84.3Confident91.6Very high104 Ų10469.5 Ų69.573%0.72737%0.367SS*.  trans-95.12.3172.154.20000113.1
11S87.7Confident91.7Very high37 Ų3766.5 Ų66.526%0.25935%0.352SS..  trans-126110.5-171.7-171.10000112.4N9 T13 L14 E15N9-S11 PolarHBondContact ND2-O 3.11Å; N9-S11 PolarHBondContact OD1-N 3.29Å; N9-S11 PolarHBondContact OD1-O 3.06Å; S11-T13 PolarHBondContact O-N 2.69Å; S11-T13 VanDerWaalsContact O-N 3.15Å; S11-T13 PolarHBondContact OG-OG1 2.84Å; S11-T13 VanDerWaalsContact OG-OG1 3.06Å; S11-L14 PolarHBondContact O-N 3.15Å; S11-E15 PolarHBondContact O-N 3.18Å
12E87.7Confident92.4Very high178 Ų17857.7 Ų57.783%0.83231%0.309SS*.Hα-helixtrans-54.1-33.4175.1-62.9178.5178.400112.3L14 E15E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.38Å; E12-E15 WeakPolarHBondContact O-CB 3.33Å; E12-E15 PolarHBondContact O-N 2.72Å
13T92Very high92.4Very high113 Ų11352.2 Ų52.269%0.69328%0.283SS*.Hα-helixtrans-72.5-24.1-179.660.90000113.5S11 P17S11-T13 PolarHBondContact O-N 2.69Å; S11-T13 VanDerWaalsContact O-N 3.15Å; S11-T13 PolarHBondContact OG-OG1 2.84Å; S11-T13 VanDerWaalsContact OG-OG1 3.06Å; T13-P17 WeakPolarHBondContact O-CD 3.44Å
14L91.8Very high92.2Very high31 Ų3148 Ų4816%0.16226%0.264CS..Hα-helixtrans-92-10.2176.7-65.7-179000113.4S11 E12 P17 F18 V68 I73S11-L14 PolarHBondContact O-N 3.15Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.38Å; L14-P17 WeakPolarHBondContact O-CD 3.3Å; L14-F18 WeakPolarHBondContact O-CB 3.42Å; L14-F18 PolarHBondContact O-N 2.95Å; L14-V68 VanDerWaalsContact CD1-O 3.28Å; L14-V68 WeakPolarHBondContact CD1-O 3.41Å; L14-I73 HydrophobicContact CD2-CD1 4.27Å
15E89.9Confident92.1Very high90 Ų9048.1 Ų48.142%0.42126%0.264SS..Hα-helixtrans-60.5-53.7-174.8-163.9-172.9162.700112.8N9 S11 E12 F18 F19 Y46N9-E15 VanDerWaalsContact ND2-CA 3.28Å; N9-E15 WeakPolarHBondContact ND2-CA 3.48Å; N9-E15 WeakPolarHBondContact ND2-CB 3.16Å; N9-E15 PolarHBondContact ND2-N 2.62Å; S11-E15 PolarHBondContact O-N 3.18Å; E12-E15 WeakPolarHBondContact O-CB 3.33Å; E12-E15 PolarHBondContact O-N 2.72Å; E15-F18 PolarHBondContact O-N 2.97Å; E15-F19 WeakPolarHBondContact O-CB 3.17Å; E15-F19 PolarHBondContact O-N 3.46Å; E15-Y46 HydrophobicContact CG-CE1 3.63Å
16S90.7Very high92Very high88 Ų8847.4 Ų47.462%0.61526%0.26SS*.Hα-helixtrans-65.6-45.9178.71720000112.9F18 K20S16-F18 PolarHBondContact O-N 3.36Å; S16-K20 VanDerWaalsContact O-CB 3.23Å; S16-K20 WeakPolarHBondContact O-CB 3.46Å; S16-K20 PolarHBondContact O-N 3.49Å
17P92.7Very high91.6Very high49 Ų4948 Ų4832%0.31826%0.263SS..Hα-helixtrans-53.4-46168.5-29.135.5000114T13 L14 K20 A21 I73T13-P17 WeakPolarHBondContact O-CD 3.44Å; L14-P17 WeakPolarHBondContact O-CD 3.3Å; P17-K20 PolarHBondContact O-N 2.94Å; P17-A21 WeakPolarHBondContact O-CB 3.41Å; P17-A21 PolarHBondContact O-N 2.82Å; P17-I73 HydrophobicContact CB-CD1 4.13Å
18F94.7Very high91.5Very high0 Ų047.9 Ų47.90%027%0.265CS..Hα-helixtrans-67.3-51.2-178-179.1-134.1000111.6Y7 L14 E15 S16 K20 A21 L22 Y46 V68 I73 L76Y7-F18 VanDerWaalsContact CB-CZ 3.46Å; Y7-F18 HydrophobicContact CD1-CZ 4.18Å; Y7-F18 HydrophobicContact CD2-CZ 4.16Å; Y7-F18 HydrophobicContact CG-CE2 4.45Å; Y7-F18 AromaticContact CG-CZ 3.68Å; Y7-F18 HydrophobicContact CG-CZ 3.68Å; L14-F18 WeakPolarHBondContact O-CB 3.42Å; L14-F18 PolarHBondContact O-N 2.95Å; E15-F18 PolarHBondContact O-N 2.97Å; S16-F18 PolarHBondContact O-N 3.36Å; F18-K20 VanDerWaalsContact C-N 3.26Å; F18-K20 PolarHBondContact O-N 3.49Å; F18-A21 CarbonylContact O-C 3.58Å; F18-A21 WeakPolarHBondContact O-CA 3.39Å; F18-A21 WeakPolarHBondContact O-CB 3.42Å; F18-A21 PolarHBondContact O-N 2.93Å; F18-L22 HydrophobicContact CD1-CD1 4.27Å; F18-L22 HydrophobicContact CD2-CD2 4.26Å; F18-L22 HydrophobicContact CD2-CG 4.15Å; F18-L22 HydrophobicContact CE1-CD1 3.92Å; F18-L22 HydrophobicContact CE1-CG 4.41Å; F18-L22 HydrophobicContact CE2-CD1 4.3Å; F18-L22 HydrophobicContact CE2-CD2 3.56Å; F18-L22 HydrophobicContact CE2-CG 3.9Å; F18-L22 HydrophobicContact CZ-CD1 3.93Å; F18-L22 HydrophobicContact CZ-CD2 3.69Å; F18-L22 HydrophobicContact CZ-CG 4.02Å; F18-L22 WeakPolarHBondContact O-CG 3.35Å; F18-L22 PolarHBondContact O-N 3.43Å; F18-Y46 AromaticContact CD1-CE2 3.69Å; F18-Y46 HydrophobicContact CD1-CE2 3.69Å; F18-Y46 AromaticContact CE1-CE2 3.75Å; F18-Y46 HydrophobicContact CE1-CE2 3.75Å; F18-V68 HydrophobicContact CB-CG1 3.93Å; F18-V68 HydrophobicContact CD1-CG1 3.96Å; F18-V68 HydrophobicContact CD1-CG2 3.86Å; F18-V68 HydrophobicContact CD2-CG1 3.9Å; F18-V68 HydrophobicContact CD2-CG2 4.46Å; F18-V68 HydrophobicContact CE1-CG1 4.44Å; F18-V68 HydrophobicContact CE1-CG2 3.57Å; F18-V68 HydrophobicContact CE2-CG1 4.39Å; F18-V68 HydrophobicContact CE2-CG2 4.22Å; F18-V68 HydrophobicContact CG-CG1 3.67Å; F18-V68 HydrophobicContact CG-CG2 4.3Å; F18-V68 HydrophobicContact CZ-CG2 3.79Å; F18-I73 HydrophobicContact CB-CD1 4.02Å; F18-I73 HydrophobicContact CB-CG1 4.34Å; F18-I73 HydrophobicContact CD2-CG1 4.07Å; F18-L76 HydrophobicContact CE2-CD1 3.9Å
19F92.4Very high91.6Very high56 Ų5648.4 Ų48.425%0.24627%0.271CS..Hα-helixtrans-54.8-42.3175.4176.1-106.4000112.1E15 A21 L22 L23 L43 Y46 L47E15-F19 WeakPolarHBondContact O-CB 3.17Å; E15-F19 PolarHBondContact O-N 3.46Å; F19-A21 VanDerWaalsContact C-N 3.34Å; F19-A21 PolarHBondContact O-N 3.48Å; F19-L22 PolarHBondContact O-N 2.65Å; F19-L23 HydrophobicContact CD1-CD1 3.91Å; F19-L23 HydrophobicContact CE1-CD1 3.42Å; F19-L23 VanDerWaalsContact CE1-CD1 3.42Å; F19-L23 HydrophobicContact CE1-CG 4.42Å; F19-L23 HydrophobicContact CE2-CD1 4.25Å; F19-L23 HydrophobicContact CE2-CG 4.48Å; F19-L23 HydrophobicContact CZ-CD1 3.62Å; F19-L23 HydrophobicContact CZ-CG 4.29Å; F19-L23 WeakPolarHBondContact O-CG 3.28Å; F19-L23 PolarHBondContact O-N 2.86Å; F19-L23 VanDerWaalsContact O-N 3.08Å; F19-L43 HydrophobicContact CD2-CD1 3.89Å; F19-L43 HydrophobicContact CE2-CD1 3.59Å; F19-Y46 HydrophobicContact CD2-CD2 4.49Å; F19-Y46 HydrophobicContact CD2-CG 4.14Å; F19-L47 HydrophobicContact CE2-CD2 3.75Å; F19-L47 HydrophobicContact CE2-CG 4.12Å; F19-L47 HydrophobicContact CZ-CD2 3.63Å; F19-L47 HydrophobicContact CZ-CG 4.48Å
20K91.7Very high92.1Very high122 Ų12248.8 Ų48.853%0.5327%0.269SS..Hα-helixtrans-63-37.6174.8-176.6-177.9178.7-172.60112.6S16 P17 F18 Q24S16-K20 VanDerWaalsContact O-CB 3.23Å; S16-K20 WeakPolarHBondContact O-CB 3.46Å; S16-K20 PolarHBondContact O-N 3.49Å; P17-K20 PolarHBondContact O-N 2.94Å; F18-K20 VanDerWaalsContact C-N 3.26Å; F18-K20 PolarHBondContact O-N 3.49Å; K20-Q24 VanDerWaalsContact O-CG 3.3Å; K20-Q24 WeakPolarHBondContact O-CG 3.5Å; K20-Q24 PolarHBondContact O-N 2.97Å
21A94.1Very high92.6Very high6 Ų647.7 Ų47.75%0.0525%0.253CS..Hα-helixtrans-70.7-43.5175.900000112.2P17 F18 F19 L23 Q24 C25 I73 M77P17-A21 WeakPolarHBondContact O-CB 3.41Å; P17-A21 PolarHBondContact O-N 2.82Å; F18-A21 CarbonylContact O-C 3.58Å; F18-A21 WeakPolarHBondContact O-CA 3.39Å; F18-A21 WeakPolarHBondContact O-CB 3.42Å; F18-A21 PolarHBondContact O-N 2.93Å; F19-A21 VanDerWaalsContact C-N 3.34Å; F19-A21 PolarHBondContact O-N 3.48Å; A21-L23 VanDerWaalsContact C-N 3.29Å; A21-L23 PolarHBondContact O-N 3.26Å; A21-Q24 CarbonylContact O-C 3.58Å; A21-Q24 WeakPolarHBondContact O-CA 3.33Å; A21-Q24 PolarHBondContact O-N 2.89Å; A21-C25 PolarHBondContact O-N 3.41Å; A21-C25 PolarHBondContact O-SG 2.95Å; A21-I73 HydrophobicContact CB-CG2 3.71Å; A21-M77 HydrophobicContact CB-CG 3.97Å; A21-M77 HydrophobicContact CB-SD 3.7Å
22L94.9Very high93Very high0 Ų048.9 Ų48.90%026%0.256CS..Hα-helixtrans-54.5-46.7173.8-64.4-179.8000111.1F18 F19 Q24 C25 I26 I39 L43 Y46F18-L22 HydrophobicContact CD1-CD1 4.27Å; F18-L22 HydrophobicContact CD2-CD2 4.26Å; F18-L22 HydrophobicContact CD2-CG 4.15Å; F18-L22 HydrophobicContact CE1-CD1 3.92Å; F18-L22 HydrophobicContact CE1-CG 4.41Å; F18-L22 HydrophobicContact CE2-CD1 4.3Å; F18-L22 HydrophobicContact CE2-CD2 3.56Å; F18-L22 HydrophobicContact CE2-CG 3.9Å; F18-L22 HydrophobicContact CZ-CD1 3.93Å; F18-L22 HydrophobicContact CZ-CD2 3.69Å; F18-L22 HydrophobicContact CZ-CG 4.02Å; F18-L22 WeakPolarHBondContact O-CG 3.35Å; F18-L22 PolarHBondContact O-N 3.43Å; F19-L22 PolarHBondContact O-N 2.65Å; L22-Q24 VanDerWaalsContact C-N 3.26Å; L22-Q24 PolarHBondContact O-N 3.28Å; L22-C25 PolarHBondContact O-N 3.39Å; L22-I26 PolarHBondContact O-N 3.26Å; L22-I39 HydrophobicContact CB-CG2 4.4Å; L22-I39 HydrophobicContact CD2-CB 3.99Å; L22-I39 HydrophobicContact CD2-CG1 3.71Å; L22-I39 HydrophobicContact CD2-CG2 3.84Å; L22-L43 HydrophobicContact CB-CD1 4.23Å; L22-L43 HydrophobicContact CD1-CB 4.39Å; L22-Y46 HydrophobicContact CD1-CD2 3.96Å; L22-Y46 HydrophobicContact CD1-CE2 4.18Å
23L92Very high93.3Very high2 Ų242.4 Ų42.41%0.0123%0.229CC..Hα-helixtrans-63.2-26.9176-75.3174.5000114.1F19 A21 I26 L43 Y85 N91 Q95F19-L23 HydrophobicContact CD1-CD1 3.91Å; F19-L23 HydrophobicContact CE1-CD1 3.42Å; F19-L23 VanDerWaalsContact CE1-CD1 3.42Å; F19-L23 HydrophobicContact CE1-CG 4.42Å; F19-L23 HydrophobicContact CE2-CD1 4.25Å; F19-L23 HydrophobicContact CE2-CG 4.48Å; F19-L23 HydrophobicContact CZ-CD1 3.62Å; F19-L23 HydrophobicContact CZ-CG 4.29Å; F19-L23 WeakPolarHBondContact O-CG 3.28Å; F19-L23 PolarHBondContact O-N 2.86Å; F19-L23 VanDerWaalsContact O-N 3.08Å; A21-L23 VanDerWaalsContact C-N 3.29Å; A21-L23 PolarHBondContact O-N 3.26Å; L23-I26 HydrophobicContact CD2-CD1 4.32Å; L23-I26 VanDerWaalsContact O-CG1 3.27Å; L23-I26 WeakPolarHBondContact O-CG1 3.43Å; L23-L43 HydrophobicContact CD2-CD1 3.76Å; L23-L43 HydrophobicContact CD2-CD2 4.08Å; L23-L43 HydrophobicContact CG-CD1 3.94Å; L23-Y85 HydrophobicContact CB-CE2 4.31Å; L23-Y85 VanDerWaalsContact O-CE2 3.3Å; L23-Y85 WeakPolarHBondContact O-CE2 3.06Å; L23-Y85 PolarHBondContact O-OH 2.82Å; L23-N91 WeakPolarHBondContact CB-OD1 3.27Å; L23-Q95 HydrophobicContact CD2-CG 3.43Å; L23-Q95 VanDerWaalsContact CD2-CG 3.43Å
24Q93.4Very high93.5Very high14 Ų1440.4 Ų40.47%0.06521%0.21CC..Hα-helixtrans-83.5-31.9175.2-71.5170.314.200111.5K20 A21 L22 K27 M77 A82 Y85K20-Q24 VanDerWaalsContact O-CG 3.3Å; K20-Q24 WeakPolarHBondContact O-CG 3.5Å; K20-Q24 PolarHBondContact O-N 2.97Å; A21-Q24 CarbonylContact O-C 3.58Å; A21-Q24 WeakPolarHBondContact O-CA 3.33Å; A21-Q24 PolarHBondContact O-N 2.89Å; L22-Q24 VanDerWaalsContact C-N 3.26Å; L22-Q24 PolarHBondContact O-N 3.28Å; Q24-K27 WeakPolarHBondContact O-CG 3.29Å; Q24-K27 PolarHBondContact O-N 3.18Å; Q24-M77 HydrophobicContact CB-CE 4.03Å; Q24-M77 HydrophobicContact CB-SD 3.96Å; Q24-A82 HydrophobicContact CB-CB 4.1Å; Q24-Y85 HydrophobicContact CB-CE2 4.46Å; Q24-Y85 HydrophobicContact CG-CD2 3.58Å; Q24-Y85 HydrophobicContact CG-CE2 3.63Å
25C95.6Very high93.8Very high1 Ų139.3 Ų39.31%0.00721%0.205CC..Hα-helixtrans-64.2-38.8175.9-65.90000112.6A21 L22 K27 G28 I39 H80 W143A21-C25 PolarHBondContact O-N 3.41Å; A21-C25 PolarHBondContact O-SG 2.95Å; L22-C25 PolarHBondContact O-N 3.39Å; C25-K27 PolarHBondContact O-N 2.86Å; C25-K27 VanDerWaalsContact O-N 3.14Å; C25-G28 WeakPolarHBondContact O-CA 3.31Å; C25-G28 PolarHBondContact O-N 2.97Å; C25-I39 HydrophobicContact CB-CD1 3.82Å; C25-I39 HydrophobicContact CB-CG2 4.32Å; C25-H80 HydrophobicContact CB-CB 3.92Å; C25-W143 WeakPolarHBondContact O-CZ2 3.44Å; C25-W143 PolarHBondContact O-NE1 3.19Å
26I94Very high94.1Very high0 Ų035 Ų350%019%0.185CC..THydrogen-bonded Turntrans-67.5-11.7-178.362.2163.9000115.4L22 L23 I39 L40 L43 N94 W143L22-I26 PolarHBondContact O-N 3.26Å; L23-I26 HydrophobicContact CD2-CD1 4.32Å; L23-I26 VanDerWaalsContact O-CG1 3.27Å; L23-I26 WeakPolarHBondContact O-CG1 3.43Å; I26-I39 HydrophobicContact CG2-CG2 4.16Å; I26-L40 HydrophobicContact CG2-CD2 3.87Å; I26-L43 HydrophobicContact CD1-CD2 3.98Å; I26-L43 HydrophobicContact CG2-CD2 4.05Å; I26-N94 HydrophobicContact CD1-CB 4.11Å; I26-W143 HydrophobicContact CB-CD2 4.37Å; I26-W143 HydrophobicContact CB-CE3 4.47Å; I26-W143 HydrophobicContact CG2-CD2 4.39Å; I26-W143 HydrophobicContact CG2-CE3 4.01Å; I26-W143 HydrophobicContact CG2-CZ3 4.08Å
27K89.3Confident94.4Very high19 Ų1930.9 Ų30.98%0.08316%0.156CC..THydrogen-bonded Turntrans-96.5-12.1167.562.2154.3176.7165.80113.4Q24 C25 E83 P84 Y85 Y137Q24-K27 WeakPolarHBondContact O-CG 3.29Å; Q24-K27 PolarHBondContact O-N 3.18Å; C25-K27 PolarHBondContact O-N 2.86Å; C25-K27 VanDerWaalsContact O-N 3.14Å; K27-E83 WeakPolarHBondContact CE-O 3.5Å; K27-E83 PolarHBondContact NZ-O 3.41Å; K27-P84 PolarHBondContact NZ-O 2.86Å; K27-Y85 HydrophobicContact CD-CD1 4.33Å; K27-Y85 HydrophobicContact CD-CE1 3.67Å; K27-Y85 HydrophobicContact CG-CE1 4.33Å; K27-Y137 WeakPolarHBondContact CB-O 3.37Å; K27-Y137 HydrophobicContact CD-CD1 3.91Å; K27-Y137 HydrophobicContact CD-CG 4.49Å
28G93.2Very high94.6Very high10 Ų1028.6 Ų28.610%0.10314%0.141CC..SBendtrans-84.7-162.4179.500000113.6C25 H80 N140 W143C25-G28 WeakPolarHBondContact O-CA 3.31Å; C25-G28 PolarHBondContact O-N 2.97Å; G28-H80 CarbonylContact C-O 3.6Å; G28-H80 VanDerWaalsContact CA-O 3.24Å; G28-H80 WeakPolarHBondContact CA-O 3.42Å; G28-N140 PolarHBondContact O-ND2 3.38Å; G28-W143 PolarHBondContact O-NE1 3.32Å
29V95.1Very high94.7Very high60 Ų6028.6 Ų28.636%0.36414%0.141SC..  trans-80.9124.9-178.5-176.10000110.4Q31 H80 Q81V29-Q31 PolarHBondContact O-N 3.35Å; V29-Q31 PolarHBondContact O-NE2 3.43Å; V29-H80 PolarHBondContact N-O 3.5Å; V29-H80 PolarHBondContact O-ND1 3.28Å; V29-Q81 HydrophobicContact CG2-CB 4.25Å; V29-Q81 HydrophobicContact CG2-CG 4.27Å
30W96.3Very high94.9Very high44 Ų4425.9 Ų25.917%0.16713%0.129CC..  trans-62.2129.1167.6177.6-81.9000109.9S36 N37 L40 T142 W143 N146W30-S36 VanDerWaalsContact CE3-CB 3.45Å; W30-S36 VanDerWaalsContact CH2-CB 3.45Å; W30-N37 WeakPolarHBondContact CH2-OD1 3.38Å; W30-L40 HydrophobicContact CZ3-CD1 4.07Å; W30-T142 HydrophobicContact CB-CG2 3.61Å; W30-T142 HydrophobicContact CD2-CG2 4.05Å; W30-T142 HydrophobicContact CG-CG2 3.57Å; W30-W143 AromaticContact CE3-CD2 3.71Å; W30-W143 HydrophobicContact CE3-CD2 3.71Å; W30-W143 AromaticContact CE3-CE3 3.51Å; W30-W143 HydrophobicContact CE3-CE3 3.51Å; W30-W143 HydrophobicContact CE3-CG 4.32Å; W30-W143 HydrophobicContact CE3-CH2 4.28Å; W30-W143 HydrophobicContact CE3-CZ2 4.44Å; W30-W143 AromaticContact CE3-CZ3 3.82Å; W30-W143 HydrophobicContact CE3-CZ3 3.82Å; W30-W143 HydrophobicContact CZ3-CD2 4.24Å; W30-W143 AromaticContact CZ3-CE3 3.58Å; W30-W143 HydrophobicContact CZ3-CE3 3.58Å; W30-W143 AromaticContact CZ3-CZ3 3.76Å; W30-W143 HydrophobicContact CZ3-CZ3 3.76Å; W30-N146 HydrophobicContact CE3-CB 4.36Å; W30-N146 HydrophobicContact CH2-CB 3.41Å; W30-N146 VanDerWaalsContact CH2-CB 3.41Å; W30-N146 WeakPolarHBondContact CH2-ND2 3.49Å; W30-N146 WeakPolarHBondContact CH2-OD1 3.34Å; W30-N146 HydrophobicContact CZ2-CB 4.26Å; W30-N146 VanDerWaalsContact CZ2-CG 3.47Å; W30-N146 WeakPolarHBondContact CZ2-OD1 3.4Å; W30-N146 HydrophobicContact CZ3-CB 3.48Å; W30-N146 VanDerWaalsContact CZ3-CB 3.48Å
31Q95.8Very high95.2Very high81 Ų8120.1 Ų20.138%0.37910%0.104SC..  trans-97.3-82.2-179.4-63.8-57.1-57.700110.2V29 S36 K79V29-Q31 PolarHBondContact O-N 3.35Å; V29-Q31 PolarHBondContact O-NE2 3.43Å; Q31-S36 PolarHBondContact N-OG 2.86Å; Q31-K79 HydrophobicContact CG-CB 4.26Å; Q31-K79 PolarHBondContact NE2-O 3.1Å
32D95.2Very high95.3Very high62 Ų6220 Ų2033%0.33210%0.103SC..  trans-140.7167.3-174.565.680.8000110.6K34 T35 S36D32-K34 VanDerWaalsContact C-N 3.34Å; D32-K34 PolarHBondContact O-N 2.82Å; D32-K34 VanDerWaalsContact OD1-CA 3.29Å; D32-K34 WeakPolarHBondContact OD1-CA 3.27Å; D32-K34 VanDerWaalsContact OD1-CB 3.25Å; D32-K34 WeakPolarHBondContact OD1-CB 3.17Å; D32-K34 PolarHBondContact OD1-N 2.91Å; D32-T35 PolarHBondContact OD1-N 3.02Å; D32-T35 PolarHBondContact OD1-OG1 3.45Å; D32-T35 PolarHBondContact OD2-OG1 3.25Å; D32-S36 PolarHBondContact N-OG 3.01Å; D32-S36 WeakPolarHBondContact O-CB 3.3Å; D32-S36 PolarHBondContact O-N 3.17Å; D32-S36 PolarHBondContact O-OG 2.82Å
33V94.6Very high95.2Very high43 Ų4320 Ų2026%0.26110%0.103SC..Hα-helixtrans-59.7-43.4178167.90000111.8Q2 T35 N37 Y61Q2-V33 HydrophobicContact CB-CG1 4.44Å; V33-T35 PolarHBondContact O-N 2.97Å; V33-N37 VanDerWaalsContact O-CB 3.31Å; V33-N37 WeakPolarHBondContact O-CB 3.4Å; V33-N37 PolarHBondContact O-N 3.02Å; V33-Y61 HydrophobicContact CG1-CE1 3.93Å
34K96.6Very high95.3Very high71 Ų7120 Ų2031%0.30910%0.103SC..Hα-helixtrans-64-46.3-170.7170.5176179.1162.50111.8E3 N5 D32 I64E3-K34 HydrophobicContact CB-CD 4.05Å; E3-K34 HydrophobicContact CB-CG 4.36Å; E3-K34 WeakPolarHBondContact O-CA 3.4Å; E3-K34 WeakPolarHBondContact O-CB 3.29Å; E3-K34 IonicContact OE2-NZ 3.79Å; E3-K34 PolarHBondContact OE2-NZ 3.27Å; N5-K34 WeakPolarHBondContact CB-O 3.26Å; N5-K34 PolarHBondContact N-O 2.89Å; N5-K34 WeakPolarHBondContact OD1-CE 3.23Å; N5-K34 VanDerWaalsContact OD1-CG 3.24Å; N5-K34 WeakPolarHBondContact OD1-CG 3.2Å; D32-K34 VanDerWaalsContact C-N 3.34Å; D32-K34 PolarHBondContact O-N 2.82Å; D32-K34 VanDerWaalsContact OD1-CA 3.29Å; D32-K34 WeakPolarHBondContact OD1-CA 3.27Å; D32-K34 VanDerWaalsContact OD1-CB 3.25Å; D32-K34 WeakPolarHBondContact OD1-CB 3.17Å; D32-K34 PolarHBondContact OD1-N 2.91Å; K34-I64 VanDerWaalsContact NZ-CD1 3.34Å
35T97Very high95.3Very high7 Ų719.6 Ų19.64%0.04310%0.102CC..Hα-helixtrans-81.4-50.5178.7-48.10000111.2Y7 D32 V33 G38 I39 L76Y7-T35 WeakPolarHBondContact OH-CG2 3Å; D32-T35 PolarHBondContact OD1-N 3.02Å; D32-T35 PolarHBondContact OD1-OG1 3.45Å; D32-T35 PolarHBondContact OD2-OG1 3.25Å; V33-T35 PolarHBondContact O-N 2.97Å; T35-G38 PolarHBondContact O-N 3.44Å; T35-I39 PolarHBondContact O-N 3.06Å; T35-I39 VanDerWaalsContact O-N 3.12Å; T35-L76 HydrophobicContact CG2-CD2 3.4Å
36S97.7Very high95.1Very high0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-76.4-35.3-167.8-36.40000113.3W30 Q31 D32 I39 L40 H80 W143W30-S36 VanDerWaalsContact CE3-CB 3.45Å; W30-S36 VanDerWaalsContact CH2-CB 3.45Å; Q31-S36 PolarHBondContact N-OG 2.86Å; D32-S36 PolarHBondContact N-OG 3.01Å; D32-S36 WeakPolarHBondContact O-CB 3.3Å; D32-S36 PolarHBondContact O-N 3.17Å; D32-S36 PolarHBondContact O-OG 2.82Å; S36-I39 WeakPolarHBondContact O-CB 3.5Å; S36-I39 PolarHBondContact O-N 3.29Å; S36-L40 PolarHBondContact O-N 2.85Å; S36-H80 PolarHBondContact OG-CE1 3.47Å; S36-W143 WeakPolarHBondContact O-CZ3 3.24Å
37N96.8Very high94.8Very high2 Ų223.5 Ų23.51%0.01112%0.119CC..Hα-helixtrans-72.7-32.3171.4-80.3-41.1000111.4W30 V33 I39 L40 L41 Y61W30-N37 WeakPolarHBondContact CH2-OD1 3.38Å; V33-N37 VanDerWaalsContact O-CB 3.31Å; V33-N37 WeakPolarHBondContact O-CB 3.4Å; V33-N37 PolarHBondContact O-N 3.02Å; N37-I39 VanDerWaalsContact C-N 3.26Å; N37-I39 PolarHBondContact O-N 2.97Å; N37-L40 PolarHBondContact O-N 3.31Å; N37-L40 VanDerWaalsContact O-N 3.11Å; N37-L41 WeakPolarHBondContact O-CB 3.46Å; N37-L41 VanDerWaalsContact O-CG 3.24Å; N37-L41 WeakPolarHBondContact O-CG 3.39Å; N37-L41 PolarHBondContact O-N 3.2Å; N37-Y61 HydrophobicContact CB-CE2 4.3Å; N37-Y61 PolarHBondContact ND2-OH 3.4Å
38G97.1Very high94.8Very high0 Ų023.3 Ų23.30%012%0.12CC..Hα-helixtrans-54.9-45.2171.100000111.5C4 N5 T35 L40 L41 S42C4-G38 PolarHBondContact SG-N 3.07Å; C4-G38 VanDerWaalsContact SG-N 3.38Å; N5-G38 WeakPolarHBondContact O-CA 3.43Å; T35-G38 PolarHBondContact O-N 3.44Å; G38-L40 PolarHBondContact O-N 3.08Å; G38-L41 PolarHBondContact O-N 3.17Å; G38-S42 WeakPolarHBondContact O-CB 3.23Å; G38-S42 PolarHBondContact O-N 2.83Å; G38-S42 PolarHBondContact O-OG 3.1Å
39I96.9Very high94.6Very high0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-57.1-48.7173.5-72.1174.4000111.7Y7 L22 C25 I26 T35 S36 N37 L43 L76 H80 W143Y7-I39 HydrophobicContact CE2-CG1 4.23Å; L22-I39 HydrophobicContact CB-CG2 4.4Å; L22-I39 HydrophobicContact CD2-CB 3.99Å; L22-I39 HydrophobicContact CD2-CG1 3.71Å; L22-I39 HydrophobicContact CD2-CG2 3.84Å; C25-I39 HydrophobicContact CB-CD1 3.82Å; C25-I39 HydrophobicContact CB-CG2 4.32Å; I26-I39 HydrophobicContact CG2-CG2 4.16Å; T35-I39 PolarHBondContact O-N 3.06Å; T35-I39 VanDerWaalsContact O-N 3.12Å; S36-I39 WeakPolarHBondContact O-CB 3.5Å; S36-I39 PolarHBondContact O-N 3.29Å; N37-I39 VanDerWaalsContact C-N 3.26Å; N37-I39 PolarHBondContact O-N 2.97Å; I39-L43 WeakPolarHBondContact O-CB 3.26Å; I39-L43 PolarHBondContact O-N 3.47Å; I39-L76 HydrophobicContact CD1-CD2 4.25Å; I39-H80 VanDerWaalsContact CD1-CD2 3.43Å; I39-H80 WeakPolarHBondContact CD1-CD2 3.47Å; I39-H80 WeakPolarHBondContact CD1-NE2 3.33Å; I39-W143 HydrophobicContact CB-CH2 4.42Å; I39-W143 HydrophobicContact CB-CZ3 4.47Å; I39-W143 HydrophobicContact CD1-CH2 4.25Å; I39-W143 HydrophobicContact CG2-CH2 4.07Å; I39-W143 HydrophobicContact CG2-CZ3 4.09Å
40L96.7Very high94.4Very high0 Ų029.2 Ų29.20%015%0.145CC..Hα-helixtrans-65.1-41.3-179.9-69.9-178.3000112.6I26 W30 S36 N37 G38 L43 I44 M98 W143 N146 V147 I150I26-L40 HydrophobicContact CG2-CD2 3.87Å; W30-L40 HydrophobicContact CZ3-CD1 4.07Å; S36-L40 PolarHBondContact O-N 2.85Å; N37-L40 PolarHBondContact O-N 3.31Å; N37-L40 VanDerWaalsContact O-N 3.11Å; G38-L40 PolarHBondContact O-N 3.08Å; L40-L43 PolarHBondContact O-N 3.19Å; L40-I44 WeakPolarHBondContact O-CB 3.27Å; L40-I44 WeakPolarHBondContact O-CD1 3.42Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.28Å; L40-I44 PolarHBondContact O-N 3.16Å; L40-M98 HydrophobicContact CD2-SD 4.33Å; L40-W143 HydrophobicContact CD1-CE3 4.17Å; L40-W143 HydrophobicContact CD1-CZ3 4.47Å; L40-W143 HydrophobicContact CD2-CE3 3.82Å; L40-W143 HydrophobicContact CD2-CZ3 4.04Å; L40-W143 HydrophobicContact CG-CE3 3.96Å; L40-W143 HydrophobicContact CG-CZ3 3.93Å; L40-N146 HydrophobicContact CD1-CB 3.91Å; L40-V147 HydrophobicContact CD1-CG2 3.74Å; L40-V147 HydrophobicContact CD2-CG2 3.67Å; L40-V147 HydrophobicContact CG-CG2 4.33Å; L40-I150 HydrophobicContact CB-CD1 3.57Å; L40-I150 HydrophobicContact CD1-CD1 3.76Å; L40-I150 HydrophobicContact CG-CD1 4.33Å
41L97Very high94.1Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-68.9-43.7-179.4-64.1173.7000111.2N37 G38 I44 G45 L55 Y56 L59 Y61 I150N37-L41 WeakPolarHBondContact O-CB 3.46Å; N37-L41 VanDerWaalsContact O-CG 3.24Å; N37-L41 WeakPolarHBondContact O-CG 3.39Å; N37-L41 PolarHBondContact O-N 3.2Å; G38-L41 PolarHBondContact O-N 3.17Å; L41-I44 PolarHBondContact O-N 2.88Å; L41-G45 PolarHBondContact O-N 2.79Å; L41-L55 HydrophobicContact CD2-CB 3.92Å; L41-L55 HydrophobicContact CD2-CD1 3.59Å; L41-L55 HydrophobicContact CD2-CG 4.45Å; L41-Y56 HydrophobicContact CB-CE2 4.18Å; L41-Y56 HydrophobicContact CD1-CD1 4.29Å; L41-Y56 HydrophobicContact CD1-CD2 4.23Å; L41-Y56 HydrophobicContact CD1-CE1 3.86Å; L41-Y56 HydrophobicContact CD1-CE2 3.77Å; L41-Y56 HydrophobicContact CD1-CG 4.45Å; L41-L59 HydrophobicContact CD1-CD1 4.28Å; L41-L59 HydrophobicContact CD2-CD1 3.57Å; L41-Y61 HydrophobicContact CD1-CD2 4.05Å; L41-Y61 HydrophobicContact CD1-CE2 4.19Å; L41-I150 HydrophobicContact CD2-CD1 4.01Å; L41-I150 HydrophobicContact CD2-CG1 4.32Å; L41-I150 HydrophobicContact CD2-CG2 4.11Å; L41-I150 HydrophobicContact CG-CD1 4.44Å
42S95.6Very high93.9Very high4 Ų428.3 Ų28.33%0.02815%0.147CC..Hα-helixtrans-62.5-42.7171.8-68.10000111.8G38 I44 G45 Y46G38-S42 WeakPolarHBondContact O-CB 3.23Å; G38-S42 PolarHBondContact O-N 2.83Å; G38-S42 PolarHBondContact O-OG 3.1Å; S42-I44 PolarHBondContact O-N 3.28Å; S42-G45 PolarHBondContact O-N 3.25Å; S42-Y46 WeakPolarHBondContact O-CD2 3.31Å; S42-Y46 PolarHBondContact O-N 2.6Å
43L94.1Very high93.8Very high0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-65.6-38.2178.9-175.564.6000112.5F19 L22 L23 I26 I39 L40 L47 M98F19-L43 HydrophobicContact CD2-CD1 3.89Å; F19-L43 HydrophobicContact CE2-CD1 3.59Å; L22-L43 HydrophobicContact CB-CD1 4.23Å; L22-L43 HydrophobicContact CD1-CB 4.39Å; L23-L43 HydrophobicContact CD2-CD1 3.76Å; L23-L43 HydrophobicContact CD2-CD2 4.08Å; L23-L43 HydrophobicContact CG-CD1 3.94Å; I26-L43 HydrophobicContact CD1-CD2 3.98Å; I26-L43 HydrophobicContact CG2-CD2 4.05Å; I39-L43 WeakPolarHBondContact O-CB 3.26Å; I39-L43 PolarHBondContact O-N 3.47Å; L40-L43 PolarHBondContact O-N 3.19Å; L43-L47 HydrophobicContact CD1-CG 4.4Å; L43-L47 HydrophobicContact CG-CD1 4.34Å; L43-L47 WeakPolarHBondContact O-CB 3.42Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.45Å; L43-M98 HydrophobicContact CD2-CE 3.93Å; L43-M98 HydrophobicContact CD2-SD 3.84Å; L43-M98 HydrophobicContact CG-CE 3.97Å; L43-M98 HydrophobicContact CG-SD 4.41Å
44I93.9Very high93.8Very high1 Ų131 Ų311%0.00516%0.159CC..Hα-helixtrans-64.7-44.4173.1-73.1165.2000110.5L40 L41 S42 C48 F50 L55 M98 I150 Y151 V161L40-I44 WeakPolarHBondContact O-CB 3.27Å; L40-I44 WeakPolarHBondContact O-CD1 3.42Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.28Å; L40-I44 PolarHBondContact O-N 3.16Å; L41-I44 PolarHBondContact O-N 2.88Å; S42-I44 PolarHBondContact O-N 3.28Å; I44-C48 WeakPolarHBondContact O-CB 3.31Å; I44-C48 PolarHBondContact O-N 2.97Å; I44-C48 VanDerWaalsContact O-N 3.08Å; I44-C48 PolarHBondContact O-SG 3.01Å; I44-F50 HydrophobicContact CG2-CE1 3.82Å; I44-F50 HydrophobicContact CG2-CZ 3.9Å; I44-L55 HydrophobicContact CG2-CD1 4.34Å; I44-M98 HydrophobicContact CG1-CE 4.07Å; I44-M98 HydrophobicContact CG1-SD 4.38Å; I44-I150 HydrophobicContact CD1-CD1 4.49Å; I44-I150 HydrophobicContact CD1-CG2 3.91Å; I44-Y151 HydrophobicContact CD1-CE1 3.98Å; I44-V161 HydrophobicContact CG2-CG2 4.17Å
45G93.3Very high93.7Very high6 Ų627.7 Ų27.76%0.06214%0.144CC..Hα-helixtrans-58-50.6174.700000112.6L41 S42 C48 D49 F50L41-G45 PolarHBondContact O-N 2.79Å; S42-G45 PolarHBondContact O-N 3.25Å; G45-C48 PolarHBondContact O-N 3.15Å; G45-D49 WeakPolarHBondContact O-CA 3.48Å; G45-D49 PolarHBondContact O-N 2.79Å; G45-F50 WeakPolarHBondContact CA-O 3.33Å; G45-F50 PolarHBondContact O-N 2.72Å
46Y90.9Very high93.7Very high66 Ų6627.5 Ų27.526%0.25914%0.143SC..Hα-helixtrans-60.4-46.7177-85.6-61.4000113.5N9 E15 F18 F19 L22 S42 C48N9-Y46 VanDerWaalsContact CB-OH 3.3Å; N9-Y46 WeakPolarHBondContact CB-OH 3.29Å; E15-Y46 HydrophobicContact CG-CE1 3.63Å; F18-Y46 AromaticContact CD1-CE2 3.69Å; F18-Y46 HydrophobicContact CD1-CE2 3.69Å; F18-Y46 AromaticContact CE1-CE2 3.75Å; F18-Y46 HydrophobicContact CE1-CE2 3.75Å; F19-Y46 HydrophobicContact CD2-CD2 4.49Å; F19-Y46 HydrophobicContact CD2-CG 4.14Å; L22-Y46 HydrophobicContact CD1-CD2 3.96Å; L22-Y46 HydrophobicContact CD1-CE2 4.18Å; S42-Y46 WeakPolarHBondContact O-CD2 3.31Å; S42-Y46 PolarHBondContact O-N 2.6Å; Y46-C48 VanDerWaalsContact C-N 3.29Å; Y46-C48 PolarHBondContact O-N 2.75Å
47L87.8Confident93.5Very high18 Ų1831.2 Ų31.29%0.09417%0.174CC..Hα-helixtrans-67.2-32.4-178.9-75.1178.9000112.5F19 L43 Q95 M98 F164F19-L47 HydrophobicContact CE2-CD2 3.75Å; F19-L47 HydrophobicContact CE2-CG 4.12Å; F19-L47 HydrophobicContact CZ-CD2 3.63Å; F19-L47 HydrophobicContact CZ-CG 4.48Å; L43-L47 HydrophobicContact CD1-CG 4.4Å; L43-L47 HydrophobicContact CG-CD1 4.34Å; L43-L47 WeakPolarHBondContact O-CB 3.42Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.45Å; L47-Q95 HydrophobicContact CD1-CG 4.45Å; L47-M98 HydrophobicContact CD1-CE 3.34Å; L47-F164 WeakPolarHBondContact O-CD2 3.41Å; L47-F164 WeakPolarHBondContact O-CE2 3.49Å; L47-F164 WeakPolarHBondContact O-CZ 3.48Å
48C89.5Confident93.4Very high15 Ų1534.4 Ų34.410%0.10119%0.188CC..Hα-helixtrans-105.45.1-172.4-51.70000113.8I44 G45 Y46 F50 N160 F164I44-C48 WeakPolarHBondContact O-CB 3.31Å; I44-C48 PolarHBondContact O-N 2.97Å; I44-C48 VanDerWaalsContact O-N 3.08Å; I44-C48 PolarHBondContact O-SG 3.01Å; G45-C48 PolarHBondContact O-N 3.15Å; Y46-C48 VanDerWaalsContact C-N 3.29Å; Y46-C48 PolarHBondContact O-N 2.75Å; C48-F50 HydrophobicContact CB-CD1 3.65Å; C48-F50 HydrophobicContact CB-CE1 3.75Å; C48-N160 HydrophobicContact CB-CB 4.36Å; C48-F164 HydrophobicContact CB-CB 4.01Å; C48-F164 HydrophobicContact CB-CG 4.48Å
49D88.5Confident93.3Very high154 Ų15435.2 Ų35.282%0.82419%0.193SC*.THydrogen-bonded Turntrans52.856.6179-166.327.3000113.6G45G45-D49 WeakPolarHBondContact O-CA 3.48Å; G45-D49 PolarHBondContact O-N 2.79Å
50F90.6Very high93.3Very high39 Ų3944.5 Ų44.517%0.17123%0.228CC..SBendtrans-149.3157.1175.881-73.2000113.6I44 G45 C48 P52 L55 N160I44-F50 HydrophobicContact CG2-CE1 3.82Å; I44-F50 HydrophobicContact CG2-CZ 3.9Å; G45-F50 WeakPolarHBondContact CA-O 3.33Å; G45-F50 PolarHBondContact O-N 2.72Å; C48-F50 HydrophobicContact CB-CD1 3.65Å; C48-F50 HydrophobicContact CB-CE1 3.75Å; F50-P52 WeakPolarHBondContact O-CD 3.45Å; F50-L55 HydrophobicContact CE2-CD1 4.3Å; F50-L55 HydrophobicContact CE2-CD2 4.1Å; F50-L55 HydrophobicContact CE2-CG 4.15Å; F50-L55 HydrophobicContact CZ-CD1 3.97Å; F50-L55 HydrophobicContact CZ-CD2 4.29Å; F50-L55 HydrophobicContact CZ-CG 4.31Å; F50-N160 HydrophobicContact CD1-CB 3.9Å; F50-N160 HydrophobicContact CE1-CB 3.77Å; F50-N160 HydrophobicContact CE2-CB 4.49Å; F50-N160 HydrophobicContact CG-CB 4.31Å; F50-N160 HydrophobicContact CZ-CB 4.08Å
51D91Very high93.3Very high88 Ų8846 Ų4647%0.47123%0.234SC..  trans-66.9118.4174.1-179.40.6000110.8K53 P54D51-K53 VanDerWaalsContact C-N 3.26Å; D51-K53 PolarHBondContact O-N 3.32Å; D51-K53 VanDerWaalsContact OD1-CB 3.29Å; D51-K53 WeakPolarHBondContact OD1-CB 3.37Å; D51-K53 WeakPolarHBondContact OD1-CG 3.31Å; D51-K53 PolarHBondContact OD1-N 3.05Å; D51-K53 WeakPolarHBondContact OD2-CD 3.17Å; D51-P54 WeakPolarHBondContact O-CD 3.49Å
52P92Very high93.3Very high18 Ų1849.1 Ų49.112%0.11725%0.253CS..  trans-74.6-6.8179.732.2-36.6000114L6 F50 P54 L55 Y56L6-P52 HydrophobicContact CD1-CG 4.17Å; F50-P52 WeakPolarHBondContact O-CD 3.45Å; P52-P54 VanDerWaalsContact C-CD 3.44Å; P52-L55 HydrophobicContact CB-CD1 4.42Å; P52-L55 VanDerWaalsContact O-CB 3.23Å; P52-L55 WeakPolarHBondContact O-CB 3.45Å; P52-L55 WeakPolarHBondContact O-CG 3.41Å; P52-L55 PolarHBondContact O-N 2.71Å; P52-Y56 HydrophobicContact CB-CE2 4.35Å; P52-Y56 WeakPolarHBondContact O-CD2 3.16Å
53K92.6Very high93.4Very high100 Ų10052 Ų5244%0.43527%0.271SS..Hα-helixtrans-48.7-44.2-178.7-78.8176.2-173.8178.20114.9L6 D51 L55 Y56L6-K53 HydrophobicContact CD1-CG 4.41Å; L6-K53 HydrophobicContact CD2-CD 4.27Å; L6-K53 HydrophobicContact CD2-CG 3.71Å; D51-K53 VanDerWaalsContact C-N 3.26Å; D51-K53 PolarHBondContact O-N 3.32Å; D51-K53 VanDerWaalsContact OD1-CB 3.29Å; D51-K53 WeakPolarHBondContact OD1-CB 3.37Å; D51-K53 WeakPolarHBondContact OD1-CG 3.31Å; D51-K53 PolarHBondContact OD1-N 3.05Å; D51-K53 WeakPolarHBondContact OD2-CD 3.17Å; K53-L55 PolarHBondContact O-N 3.2Å; K53-Y56 PolarHBondContact O-N 3.37Å; K53-Y56 VanDerWaalsContact O-N 3.1Å
54P93.5Very high93.5Very high63 Ų6354.5 Ų54.541%0.40928%0.284SS..Hα-helixtrans-59.2-29.5177.6-24.636.2000113.5D51 P52 Y56 A57 E58D51-P54 WeakPolarHBondContact O-CD 3.49Å; P52-P54 VanDerWaalsContact C-CD 3.44Å; P54-Y56 VanDerWaalsContact C-N 3.28Å; P54-Y56 PolarHBondContact O-N 3.16Å; P54-A57 PolarHBondContact O-N 3.01Å; P54-E58 PolarHBondContact O-N 3.49Å
55L95.8Very high93.6Very high0 Ų060.5 Ų60.50%031%0.312CS..Hα-helixtrans-64.8-32.9178.6-50.8-169.4000112.1L41 I44 F50 P52 K53 A57 E58 L59 S154 T156 A157L41-L55 HydrophobicContact CD2-CB 3.92Å; L41-L55 HydrophobicContact CD2-CD1 3.59Å; L41-L55 HydrophobicContact CD2-CG 4.45Å; I44-L55 HydrophobicContact CG2-CD1 4.34Å; F50-L55 HydrophobicContact CE2-CD1 4.3Å; F50-L55 HydrophobicContact CE2-CD2 4.1Å; F50-L55 HydrophobicContact CE2-CG 4.15Å; F50-L55 HydrophobicContact CZ-CD1 3.97Å; F50-L55 HydrophobicContact CZ-CD2 4.29Å; F50-L55 HydrophobicContact CZ-CG 4.31Å; P52-L55 HydrophobicContact CB-CD1 4.42Å; P52-L55 VanDerWaalsContact O-CB 3.23Å; P52-L55 WeakPolarHBondContact O-CB 3.45Å; P52-L55 WeakPolarHBondContact O-CG 3.41Å; P52-L55 PolarHBondContact O-N 2.71Å; K53-L55 PolarHBondContact O-N 3.2Å; L55-A57 VanDerWaalsContact C-N 3.31Å; L55-A57 PolarHBondContact O-N 2.94Å; L55-E58 PolarHBondContact O-N 2.88Å; L55-L59 HydrophobicContact CB-CD1 4.34Å; L55-L59 VanDerWaalsContact O-CB 3.24Å; L55-L59 WeakPolarHBondContact O-CB 3.35Å; L55-L59 WeakPolarHBondContact O-CD1 3.45Å; L55-L59 WeakPolarHBondContact O-CG 2.98Å; L55-L59 PolarHBondContact O-N 2.84Å; L55-S154 WeakPolarHBondContact CD2-OG 3.47Å; L55-T156 HydrophobicContact CD2-CG2 3.91Å; L55-A157 HydrophobicContact CD1-CB 4.21Å; L55-A157 HydrophobicContact CD2-CB 3.88Å
56Y96.4Very high93.7Very high4 Ų461.6 Ų61.62%0.01632%0.317CS..Hα-helixtrans-64.3-39.1179.6-69.8-104.7000110.9C4 N5 L6 L41 P52 K53 P54 R60 Y61 P63C4-Y56 HydrophobicContact CB-CD1 4.01Å; C4-Y56 HydrophobicContact CB-CE1 3.74Å; N5-Y56 PolarHBondContact O-OH 3.03Å; L6-Y56 WeakPolarHBondContact CA-OH 3.34Å; L6-Y56 HydrophobicContact CB-CE1 4.19Å; L6-Y56 HydrophobicContact CD1-CE2 3.75Å; L41-Y56 HydrophobicContact CB-CE2 4.18Å; L41-Y56 HydrophobicContact CD1-CD1 4.29Å; L41-Y56 HydrophobicContact CD1-CD2 4.23Å; L41-Y56 HydrophobicContact CD1-CE1 3.86Å; L41-Y56 HydrophobicContact CD1-CE2 3.77Å; L41-Y56 HydrophobicContact CD1-CG 4.45Å; P52-Y56 HydrophobicContact CB-CE2 4.35Å; P52-Y56 WeakPolarHBondContact O-CD2 3.16Å; K53-Y56 PolarHBondContact O-N 3.37Å; K53-Y56 VanDerWaalsContact O-N 3.1Å; P54-Y56 VanDerWaalsContact C-N 3.28Å; P54-Y56 PolarHBondContact O-N 3.16Å; Y56-R60 PolarHBondContact O-N 2.94Å; Y56-Y61 PolarHBondContact O-N 2.73Å; Y56-P63 HydrophobicContact CD1-CB 3.75Å; Y56-P63 HydrophobicContact CE1-CB 4.22Å; Y56-P63 HydrophobicContact CG-CB 4.15Å
57A93.8Very high93.9Very high78 Ų7863 Ų6365%0.64533%0.329SS*.Hα-helixtrans-66.6-49.2175.800000111.9P54 L55 L59 R60P54-A57 PolarHBondContact O-N 3.01Å; L55-A57 VanDerWaalsContact C-N 3.31Å; L55-A57 PolarHBondContact O-N 2.94Å; A57-L59 VanDerWaalsContact C-N 3.3Å; A57-L59 PolarHBondContact O-N 3.3Å; A57-R60 PolarHBondContact O-N 3.4Å; A57-R60 VanDerWaalsContact O-N 3.12Å
58E94.6Very high94.3Very high68 Ų6862.3 Ų62.332%0.31833%0.326SS..Hα-helixtrans-59.3-40.4177.9-70.1-175.5-17200112.1P54 L55 R60 S154 V155 T156P54-E58 PolarHBondContact O-N 3.49Å; L55-E58 PolarHBondContact O-N 2.88Å; E58-R60 VanDerWaalsContact C-N 3.29Å; E58-R60 PolarHBondContact O-N 3.26Å; E58-S154 WeakPolarHBondContact OE2-CA 3.47Å; E58-S154 WeakPolarHBondContact OE2-CB 3.27Å; E58-S154 PolarHBondContact OE2-OG 3.22Å; E58-V155 PolarHBondContact OE2-N 2.87Å; E58-T156 WeakPolarHBondContact OE1-CB 3.49Å; E58-T156 PolarHBondContact OE1-OG1 2.85Å; E58-T156 PolarHBondContact OE2-N 3.5Å
59L96Very high94.6Very high18 Ų1867 Ų679%0.09435%0.346CS..THydrogen-bonded Turntrans-84.10-179.8-58.9172.5000113.8L41 L55 A57 Y61 I150L41-L59 HydrophobicContact CD1-CD1 4.28Å; L41-L59 HydrophobicContact CD2-CD1 3.57Å; L55-L59 HydrophobicContact CB-CD1 4.34Å; L55-L59 VanDerWaalsContact O-CB 3.24Å; L55-L59 WeakPolarHBondContact O-CB 3.35Å; L55-L59 WeakPolarHBondContact O-CD1 3.45Å; L55-L59 WeakPolarHBondContact O-CG 2.98Å; L55-L59 PolarHBondContact O-N 2.84Å; A57-L59 VanDerWaalsContact C-N 3.3Å; A57-L59 PolarHBondContact O-N 3.3Å; L59-Y61 VanDerWaalsContact C-N 3.28Å; L59-Y61 HydrophobicContact CB-CD2 3.61Å; L59-Y61 HydrophobicContact CB-CE2 3.53Å; L59-Y61 HydrophobicContact CB-CG 4.31Å; L59-Y61 HydrophobicContact CD1-CD2 4.19Å; L59-Y61 HydrophobicContact CD1-CE2 3.74Å; L59-Y61 HydrophobicContact CG-CE2 4.25Å; L59-Y61 PolarHBondContact O-N 2.97Å; L59-I150 HydrophobicContact CD1-CG1 4.08Å; L59-I150 HydrophobicContact CD1-CG2 4.21Å
60R95.6Very high94.9Very high194 Ų19463.9 Ų63.973%0.73233%0.327SS*.THydrogen-bonded Turntrans57.837.3-179.7-51.8178.9179.3-174.4-2.1113.6M1 Y56 A57 E58M1-R60 VanDerWaalsContact CB-O 3.26Å; M1-R60 WeakPolarHBondContact CB-O 3.21Å; M1-R60 WeakPolarHBondContact CG-O 3.3Å; Y56-R60 PolarHBondContact O-N 2.94Å; A57-R60 PolarHBondContact O-N 3.4Å; A57-R60 VanDerWaalsContact O-N 3.12Å; E58-R60 VanDerWaalsContact C-N 3.29Å; E58-R60 PolarHBondContact O-N 3.26Å
61Y97Very high95.2Very high33 Ų3365 Ų6513%0.12934%0.339CS..EExtended strand (participates in β ladder)trans-91.9145.9171-62.1-41.3000111.6Q2 C4 V33 N37 L41 Y56 L59 P63Q2-Y61 HydrophobicContact CB-CD1 4.06Å; Q2-Y61 HydrophobicContact CB-CE1 4.3Å; Q2-Y61 CarbonylContact O-C 3.21Å; Q2-Y61 VanDerWaalsContact O-CA 3.26Å; Q2-Y61 WeakPolarHBondContact O-CA 3.25Å; C4-Y61 HydrophobicContact CB-CD1 4.23Å; C4-Y61 HydrophobicContact CB-CD2 3.93Å; C4-Y61 HydrophobicContact CB-CG 3.69Å; V33-Y61 HydrophobicContact CG1-CE1 3.93Å; N37-Y61 HydrophobicContact CB-CE2 4.3Å; N37-Y61 PolarHBondContact ND2-OH 3.4Å; L41-Y61 HydrophobicContact CD1-CD2 4.05Å; L41-Y61 HydrophobicContact CD1-CE2 4.19Å; Y56-Y61 PolarHBondContact O-N 2.73Å; L59-Y61 VanDerWaalsContact C-N 3.28Å; L59-Y61 HydrophobicContact CB-CD2 3.61Å; L59-Y61 HydrophobicContact CB-CE2 3.53Å; L59-Y61 HydrophobicContact CB-CG 4.31Å; L59-Y61 HydrophobicContact CD1-CD2 4.19Å; L59-Y61 HydrophobicContact CD1-CE2 3.74Å; L59-Y61 HydrophobicContact CG-CE2 4.25Å; L59-Y61 PolarHBondContact O-N 2.97Å; Y61-P63 WeakPolarHBondContact O-CD 3.39Å
62T96.9Very high95.5Very high65 Ų6562.3 Ų62.340%0.39933%0.325SS..EExtended strand (participates in β ladder)trans-90.5112164.3-57.80000107.5M1 Q2 C4M1-T62 WeakPolarHBondContact CB-OG1 3.48Å; Q2-T62 PolarHBondContact O-N 3.03Å; C4-T62 PolarHBondContact N-O 3.48Å
63P96.8Very high95.7Very high64 Ų6461.8 Ų61.842%0.41632%0.321SS..EExtended strand (participates in β ladder)trans-67.7134.717927.6-33.2000110.3C4 L6 Y56 Y61C4-P63 CarbonylContact O-C 3.48Å; C4-P63 WeakPolarHBondContact O-CA 3.47Å; L6-P63 HydrophobicContact CB-CB 4.03Å; L6-P63 HydrophobicContact CD2-CB 4.22Å; Y56-P63 HydrophobicContact CD1-CB 3.75Å; Y56-P63 HydrophobicContact CE1-CB 4.22Å; Y56-P63 HydrophobicContact CG-CB 4.15Å; Y61-P63 WeakPolarHBondContact O-CD 3.39Å
64I96.9Very high95.9Very high53 Ų5361.1 Ų61.127%0.27232%0.322SS..EExtended strand (participates in β ladder)trans-112.2114.1167.6-66.4179.1000106.8E3 C4 N5 L6 K34 V66E3-I64 HydrophobicContact CB-CD1 3.79Å; E3-I64 VanDerWaalsContact CD-CD1 3.47Å; E3-I64 HydrophobicContact CG-CD1 3.81Å; E3-I64 VanDerWaalsContact OE2-CD1 3.29Å; E3-I64 WeakPolarHBondContact OE2-CD1 3.41Å; C4-I64 PolarHBondContact O-N 3.15Å; N5-I64 CarbonylContact C-O 3.48Å; N5-I64 WeakPolarHBondContact CA-O 3.48Å; L6-I64 PolarHBondContact N-O 3.39Å; K34-I64 VanDerWaalsContact NZ-CD1 3.34Å; I64-V66 HydrophobicContact CG2-CG2 4.42Å; I64-V66 PolarHBondContact O-N 2.82Å
65E96.1Very high96Very high126 Ų12661.8 Ų61.859%0.58932%0.32SS*.EExtended strand (participates in β ladder)trans-67.6123.6179.7-59.4-164.3148.900110.2L6 I8L6-E65 HydrophobicContact CD2-CG 4.37Å; L6-E65 WeakPolarHBondContact O-CA 3.49Å; I8-E65 HydrophobicContact CD1-CB 3.82Å; I8-E65 VanDerWaalsContact CD1-CD 3.44Å; I8-E65 HydrophobicContact CD1-CG 3.74Å
66V96.2Very high96.1Very high29 Ų2962 Ų6218%0.17632%0.321CS..EExtended strand (participates in β ladder)trans-123.5109.8176.7-179.90000107.5N5 L6 Y7 I8 I64 V68 I72N5-V66 HydrophobicContact CB-CG2 4.01Å; L6-V66 PolarHBondContact O-N 3.39Å; Y7-V66 CarbonylContact C-O 3.6Å; Y7-V66 WeakPolarHBondContact CA-O 3.38Å; Y7-V66 HydrophobicContact CD1-CB 3.9Å; Y7-V66 HydrophobicContact CD1-CG1 3.88Å; Y7-V66 HydrophobicContact CE1-CB 4.16Å; Y7-V66 HydrophobicContact CE1-CG1 3.96Å; I8-V66 PolarHBondContact N-O 2.94Å; I64-V66 HydrophobicContact CG2-CG2 4.42Å; I64-V66 PolarHBondContact O-N 2.82Å; V66-V68 PolarHBondContact O-N 3.16Å; V66-I72 HydrophobicContact CG1-CD1 4.29Å; V66-I72 HydrophobicContact CG1-CG1 4.3Å; V66-I72 HydrophobicContact CG1-CG2 4.13Å
67N95.3Very high96.1Very high96 Ų9663.5 Ų63.551%0.51333%0.328SS..EExtended strand (participates in β ladder)trans-64.8130.3173.7-67.5-43.6000109.5I8 E69I8-N67 WeakPolarHBondContact O-CA 3.48Å; N67-E69 PolarHBondContact O-N 2.93Å
68V95.1Very high96.3Very high4 Ų467.2 Ų67.22%0.02433%0.333CS..  trans-76.8110.9179.4177.70000109.3I8 N9 L14 F18 V66 I73I8-V68 PolarHBondContact O-N 3.25Å; N9-V68 HydrophobicContact CB-CB 4.18Å; N9-V68 HydrophobicContact CB-CG2 4.17Å; L14-V68 VanDerWaalsContact CD1-O 3.28Å; L14-V68 WeakPolarHBondContact CD1-O 3.41Å; F18-V68 HydrophobicContact CB-CG1 3.93Å; F18-V68 HydrophobicContact CD1-CG1 3.96Å; F18-V68 HydrophobicContact CD1-CG2 3.86Å; F18-V68 HydrophobicContact CD2-CG1 3.9Å; F18-V68 HydrophobicContact CD2-CG2 4.46Å; F18-V68 HydrophobicContact CE1-CG1 4.44Å; F18-V68 HydrophobicContact CE1-CG2 3.57Å; F18-V68 HydrophobicContact CE2-CG1 4.39Å; F18-V68 HydrophobicContact CE2-CG2 4.22Å; F18-V68 HydrophobicContact CG-CG1 3.67Å; F18-V68 HydrophobicContact CG-CG2 4.3Å; F18-V68 HydrophobicContact CZ-CG2 3.79Å; V66-V68 PolarHBondContact O-N 3.16Å; V68-I73 HydrophobicContact CG1-CD1 4.23Å; V68-I73 HydrophobicContact CG1-CG1 4.17Å
69E95.7Very high96.4Very high113 Ų11367.9 Ų67.953%0.52834%0.335SS..  trans-118.6162.3171.1-66.5-180-174.100109.7N67 S71 I72 I73N67-E69 PolarHBondContact O-N 2.93Å; E69-S71 VanDerWaalsContact CB-OG 3.24Å; E69-S71 WeakPolarHBondContact CB-OG 3.44Å; E69-S71 PolarHBondContact O-N 3.35Å; E69-S71 PolarHBondContact OE2-OG 2.9Å; E69-S71 VanDerWaalsContact OE2-OG 3.12Å; E69-I72 HydrophobicContact CB-CG1 4.34Å; E69-I72 WeakPolarHBondContact O-CB 3.49Å; E69-I72 PolarHBondContact O-N 3.43Å; E69-I73 WeakPolarHBondContact O-CG1 3.5Å; E69-I73 PolarHBondContact O-N 3.13Å
70Q95.8Very high96.4Very high88 Ų8867 Ų6741%0.41133%0.33SS..Hα-helixtrans-58.2-35.4175.8-174.260.550.200112.2I72 I73 D74Q70-I72 VanDerWaalsContact C-N 3.33Å; Q70-I72 PolarHBondContact O-N 3.35Å; Q70-I73 WeakPolarHBondContact O-CB 3.32Å; Q70-I73 PolarHBondContact O-N 3.36Å; Q70-D74 PolarHBondContact NE2-OD1 3.34Å; Q70-D74 PolarHBondContact O-N 3.04Å
71S96.7Very high96.4Very high62 Ų6264.2 Ų64.243%0.43433%0.325SS..Hα-helixtrans-54.7-45.3172.250.30000112.5E69 D74 E75E69-S71 VanDerWaalsContact CB-OG 3.24Å; E69-S71 WeakPolarHBondContact CB-OG 3.44Å; E69-S71 PolarHBondContact O-N 3.35Å; E69-S71 PolarHBondContact OE2-OG 2.9Å; E69-S71 VanDerWaalsContact OE2-OG 3.12Å; S71-D74 PolarHBondContact O-N 3.23Å; S71-E75 WeakPolarHBondContact O-CB 3.29Å; S71-E75 PolarHBondContact O-N 3.15Å
72I96.3Very high96.2Very high32 Ų3263.2 Ų63.216%0.16432%0.324CS..Hα-helixtrans-68.8-41.4176.6-57.5-59.2000110.7Y7 V66 E69 Q70 D74 E75 L76Y7-I72 HydrophobicContact CD1-CG2 4.35Å; Y7-I72 HydrophobicContact CE1-CG2 4.09Å; V66-I72 HydrophobicContact CG1-CD1 4.29Å; V66-I72 HydrophobicContact CG1-CG1 4.3Å; V66-I72 HydrophobicContact CG1-CG2 4.13Å; E69-I72 HydrophobicContact CB-CG1 4.34Å; E69-I72 WeakPolarHBondContact O-CB 3.49Å; E69-I72 PolarHBondContact O-N 3.43Å; Q70-I72 VanDerWaalsContact C-N 3.33Å; Q70-I72 PolarHBondContact O-N 3.35Å; I72-D74 VanDerWaalsContact C-N 3.33Å; I72-D74 PolarHBondContact O-N 3.39Å; I72-E75 PolarHBondContact O-N 3.28Å; I72-L76 HydrophobicContact CG2-CD1 4.1Å; I72-L76 HydrophobicContact CG2-CG 4.27Å; I72-L76 VanDerWaalsContact O-CG 3.23Å; I72-L76 WeakPolarHBondContact O-CG 3.4Å; I72-L76 PolarHBondContact O-N 2.77Å
73I96.1Very high95.9Very high7 Ų765.2 Ų65.24%0.03633%0.329CS..Hα-helixtrans-57.2-49.2175.4-64.4174.3000110.1L14 P17 F18 A21 V68 E69 Q70 L76 M77L14-I73 HydrophobicContact CD2-CD1 4.27Å; P17-I73 HydrophobicContact CB-CD1 4.13Å; F18-I73 HydrophobicContact CB-CD1 4.02Å; F18-I73 HydrophobicContact CB-CG1 4.34Å; F18-I73 HydrophobicContact CD2-CG1 4.07Å; A21-I73 HydrophobicContact CB-CG2 3.71Å; V68-I73 HydrophobicContact CG1-CD1 4.23Å; V68-I73 HydrophobicContact CG1-CG1 4.17Å; E69-I73 WeakPolarHBondContact O-CG1 3.5Å; E69-I73 PolarHBondContact O-N 3.13Å; Q70-I73 WeakPolarHBondContact O-CB 3.32Å; Q70-I73 PolarHBondContact O-N 3.36Å; I73-L76 PolarHBondContact O-N 3.28Å; I73-M77 WeakPolarHBondContact O-CB 3.2Å; I73-M77 WeakPolarHBondContact O-CG 3.3Å; I73-M77 PolarHBondContact O-N 2.9Å
74D96.7Very high95.3Very high86 Ų8666.4 Ų66.446%0.4634%0.337SS..Hα-helixtrans-66.1-39.2-179.7-63.1-22000111.8Q70 S71 I72 M77 Q78Q70-D74 PolarHBondContact NE2-OD1 3.34Å; Q70-D74 PolarHBondContact O-N 3.04Å; S71-D74 PolarHBondContact O-N 3.23Å; I72-D74 VanDerWaalsContact C-N 3.33Å; I72-D74 PolarHBondContact O-N 3.39Å; D74-M77 PolarHBondContact O-N 3.47Å; D74-Q78 WeakPolarHBondContact O-CB 3.43Å; D74-Q78 PolarHBondContact O-N 3.21Å
75E97.1Very high94.4Very high77 Ų7765.6 Ų65.636%0.3633%0.33SS..Hα-helixtrans-62.3-46175-174.5-171.8169.600112.1S71 I72 Q78 K79S71-E75 WeakPolarHBondContact O-CB 3.29Å; S71-E75 PolarHBondContact O-N 3.15Å; I72-E75 PolarHBondContact O-N 3.28Å; E75-Q78 PolarHBondContact O-N 3.03Å; E75-K79 HydrophobicContact CG-CD 4.05Å; E75-K79 HydrophobicContact CG-CG 4.44Å; E75-K79 VanDerWaalsContact O-CB 3.3Å; E75-K79 WeakPolarHBondContact O-CB 3.34Å; E75-K79 WeakPolarHBondContact O-CG 3.47Å; E75-K79 PolarHBondContact O-N 2.88Å; E75-K79 WeakPolarHBondContact OE1-CE 3.4Å; E75-K79 IonicContact OE1-NZ 3.69Å; E75-K79 PolarHBondContact OE1-NZ 3.25Å
76L97.3Very high93.2Very high5 Ų566.9 Ų66.93%0.02634%0.336CS..Hα-helixtrans-62.8-45.8176.8-65.8174.9000110.6Y7 F18 T35 I39 I72 I73 Q78 K79 H80Y7-L76 HydrophobicContact CE1-CD1 3.97Å; Y7-L76 HydrophobicContact CE1-CD2 4.3Å; Y7-L76 VanDerWaalsContact OH-CD2 3.31Å; Y7-L76 WeakPolarHBondContact OH-CD2 3.33Å; F18-L76 HydrophobicContact CE2-CD1 3.9Å; T35-L76 HydrophobicContact CG2-CD2 3.4Å; I39-L76 HydrophobicContact CD1-CD2 4.25Å; I72-L76 HydrophobicContact CG2-CD1 4.1Å; I72-L76 HydrophobicContact CG2-CG 4.27Å; I72-L76 VanDerWaalsContact O-CG 3.23Å; I72-L76 WeakPolarHBondContact O-CG 3.4Å; I72-L76 PolarHBondContact O-N 2.77Å; I73-L76 PolarHBondContact O-N 3.28Å; L76-Q78 VanDerWaalsContact C-N 3.33Å; L76-Q78 PolarHBondContact O-N 3.27Å; L76-K79 PolarHBondContact O-N 3.29Å; L76-H80 WeakPolarHBondContact O-CB 3.44Å; L76-H80 PolarHBondContact O-CD2 3.45Å; L76-H80 VanDerWaalsContact O-CD2 3.23Å; L76-H80 PolarHBondContact O-N 2.86Å
77M96.7Very high91.8Very high35 Ų3576.2 Ų76.217%0.17237%0.374CS..Hα-helixtrans-58-45.2177-73.8-64.1-65.400111.8A21 Q24 I73 D74 Q81 A82A21-M77 HydrophobicContact CB-CG 3.97Å; A21-M77 HydrophobicContact CB-SD 3.7Å; Q24-M77 HydrophobicContact CB-CE 4.03Å; Q24-M77 HydrophobicContact CB-SD 3.96Å; I73-M77 WeakPolarHBondContact O-CB 3.2Å; I73-M77 WeakPolarHBondContact O-CG 3.3Å; I73-M77 PolarHBondContact O-N 2.9Å; D74-M77 PolarHBondContact O-N 3.47Å; M77-Q81 PolarHBondContact O-N 2.92Å; M77-A82 HydrophobicContact CE-CB 3.58Å; M77-A82 WeakPolarHBondContact CE-O 3.45Å; M77-A82 PolarHBondContact O-N 3.38Å; M77-A82 HydrophobicContact SD-CB 3.51Å; M77-A82 VanDerWaalsContact SD-CB 3.51Å
78Q97.1Very high90.5Very high157 Ų15772.5 Ų72.573%0.73436%0.356SS*.Hα-helixtrans-65.5-52177.2-173.4-176.116.400111.9D74 E75 L76 H80 Q81D74-Q78 WeakPolarHBondContact O-CB 3.43Å; D74-Q78 PolarHBondContact O-N 3.21Å; E75-Q78 PolarHBondContact O-N 3.03Å; L76-Q78 VanDerWaalsContact C-N 3.33Å; L76-Q78 PolarHBondContact O-N 3.27Å; Q78-H80 PolarHBondContact O-N 2.84Å; Q78-Q81 PolarHBondContact O-N 3.16Å; Q78-Q81 VanDerWaalsContact O-N 3.09Å
79K96.7Very high89.8Confident82 Ų8274 Ų7436%0.35737%0.365SS..Hα-helixtrans-57.7-46.8-178.7-81.7-180170.9174.70111.8Q31 E75 L76 Q81Q31-K79 HydrophobicContact CG-CB 4.26Å; Q31-K79 PolarHBondContact NE2-O 3.1Å; E75-K79 HydrophobicContact CG-CD 4.05Å; E75-K79 HydrophobicContact CG-CG 4.44Å; E75-K79 VanDerWaalsContact O-CB 3.3Å; E75-K79 WeakPolarHBondContact O-CB 3.34Å; E75-K79 WeakPolarHBondContact O-CG 3.47Å; E75-K79 PolarHBondContact O-N 2.88Å; E75-K79 WeakPolarHBondContact OE1-CE 3.4Å; E75-K79 IonicContact OE1-NZ 3.69Å; E75-K79 PolarHBondContact OE1-NZ 3.25Å; L76-K79 PolarHBondContact O-N 3.29Å; K79-Q81 PolarHBondContact O-N 3.27Å
80H97.1Very high89.4Confident0 Ų068.6 Ų68.60%034%0.341CS..THydrogen-bonded Turntrans-79.20.6-179.7-70.2-70.1000113.9C25 G28 V29 S36 I39 L76 Q78 A82 W143C25-H80 HydrophobicContact CB-CB 3.92Å; G28-H80 CarbonylContact C-O 3.6Å; G28-H80 VanDerWaalsContact CA-O 3.24Å; G28-H80 WeakPolarHBondContact CA-O 3.42Å; V29-H80 PolarHBondContact N-O 3.5Å; V29-H80 PolarHBondContact O-ND1 3.28Å; S36-H80 PolarHBondContact OG-CE1 3.47Å; I39-H80 VanDerWaalsContact CD1-CD2 3.43Å; I39-H80 WeakPolarHBondContact CD1-CD2 3.47Å; I39-H80 WeakPolarHBondContact CD1-NE2 3.33Å; L76-H80 WeakPolarHBondContact O-CB 3.44Å; L76-H80 PolarHBondContact O-CD2 3.45Å; L76-H80 VanDerWaalsContact O-CD2 3.23Å; L76-H80 PolarHBondContact O-N 2.86Å; Q78-H80 PolarHBondContact O-N 2.84Å; H80-A82 HydrophobicContact CB-CB 4.44Å; H80-A82 PolarHBondContact O-N 3.27Å; H80-W143 AromaticContact CE1-CH2 3.9Å; H80-W143 AromaticContact CE1-CZ2 3.94Å; H80-W143 AromaticContact ND1-CH2 3.94Å; H80-W143 AromaticContact ND1-CZ2 3.53Å
81Q95.9Very high89Confident134 Ų13465.9 Ų65.963%0.62633%0.329SS*.THydrogen-bonded Turntrans51.941.4-174.8-53.9177.611.600111V29 M77 Q78 K79 E83V29-Q81 HydrophobicContact CG2-CB 4.25Å; V29-Q81 HydrophobicContact CG2-CG 4.27Å; M77-Q81 PolarHBondContact O-N 2.92Å; Q78-Q81 PolarHBondContact O-N 3.16Å; Q78-Q81 VanDerWaalsContact O-N 3.09Å; K79-Q81 PolarHBondContact O-N 3.27Å; Q81-E83 PolarHBondContact O-N 3Å
82A92.7Very high88.5Confident13 Ų1368.1 Ų68.111%0.10733%0.328CS..  trans-79.5109.1-170.500000110.1Q24 M77 H80Q24-A82 HydrophobicContact CB-CB 4.1Å; M77-A82 HydrophobicContact CE-CB 3.58Å; M77-A82 WeakPolarHBondContact CE-O 3.45Å; M77-A82 PolarHBondContact O-N 3.38Å; M77-A82 HydrophobicContact SD-CB 3.51Å; M77-A82 VanDerWaalsContact SD-CB 3.51Å; H80-A82 HydrophobicContact CB-CB 4.44Å; H80-A82 PolarHBondContact O-N 3.27Å
83E88.9Confident88.2Confident106 Ų10666.9 Ų66.950%0.49532%0.323SS..  trans-78.4149.7172.3-65.9-178.3177.200111K27 Q81 Y137K27-E83 WeakPolarHBondContact CE-O 3.5Å; K27-E83 PolarHBondContact NZ-O 3.41Å; Q81-E83 PolarHBondContact O-N 3Å; E83-Y137 VanDerWaalsContact OE2-CE1 3.28Å; E83-Y137 WeakPolarHBondContact OE2-CE1 3.17Å; E83-Y137 PolarHBondContact OE2-OH 3.04Å
84P85.7Confident88Confident90 Ų9066.6 Ų66.658%0.58432%0.321SS*.  trans-53.5155.9166.6-26.335.7000112.7K27 E86K27-P84 PolarHBondContact NZ-O 2.86Å; P84-E86 PolarHBondContact O-N 3.47Å
85Y77.9Confident87.7Confident35 Ų3563.8 Ų63.814%0.13731%0.305CS..  trans-82.9103.3160.1-67.9-71.8000108.4L23 Q24 K27 I90 N91 N94L23-Y85 HydrophobicContact CB-CE2 4.31Å; L23-Y85 VanDerWaalsContact O-CE2 3.3Å; L23-Y85 WeakPolarHBondContact O-CE2 3.06Å; L23-Y85 PolarHBondContact O-OH 2.82Å; Q24-Y85 HydrophobicContact CB-CE2 4.46Å; Q24-Y85 HydrophobicContact CG-CD2 3.58Å; Q24-Y85 HydrophobicContact CG-CE2 3.63Å; K27-Y85 HydrophobicContact CD-CD1 4.33Å; K27-Y85 HydrophobicContact CD-CE1 3.67Å; K27-Y85 HydrophobicContact CG-CE1 4.33Å; Y85-I90 HydrophobicContact CD1-CG2 3.48Å; Y85-I90 VanDerWaalsContact CD1-CG2 3.48Å; Y85-I90 HydrophobicContact CE1-CG2 3.65Å; Y85-N91 HydrophobicContact CD1-CB 4.16Å; Y85-N91 HydrophobicContact CD2-CB 3.75Å; Y85-N91 VanDerWaalsContact CD2-CG 3.47Å; Y85-N91 HydrophobicContact CE1-CB 4.18Å; Y85-N91 HydrophobicContact CE2-CB 3.79Å; Y85-N91 WeakPolarHBondContact CE2-OD1 3.48Å; Y85-N91 HydrophobicContact CG-CB 3.94Å; Y85-N94 PolarHBondContact OH-ND2 3.15Å
86E70.1Confident87.5Confident154 Ų15460.2 Ų60.272%0.7229%0.289SS*.  trans-53.6151.4154.7-63.5-175-179.400109.1P84 C88P84-E86 PolarHBondContact O-N 3.47Å; E86-C88 WeakPolarHBondContact O-CA 3.25Å; E86-C88 WeakPolarHBondContact O-CB 3.4Å; E86-C88 PolarHBondContact O-N 3.38Å
87K66.1Low87.4Confident224 Ų22460 Ų6097%0.97429%0.288SS*.SBendtrans-45.158.3-168.3-62.4-179.4176.9178.60117.3
88C68.3Low87.2Confident18 Ų1858.4 Ų58.412%0.12228%0.28CS..  trans-129.6132.4-164.9-178.70000109.4E86 I90 Y134E86-C88 WeakPolarHBondContact O-CA 3.25Å; E86-C88 WeakPolarHBondContact O-CB 3.4Å; E86-C88 PolarHBondContact O-N 3.38Å; C88-I90 HydrophobicContact CB-CG2 3.95Å; C88-I90 PolarHBondContact O-N 2.65Å; C88-I90 VanDerWaalsContact SG-CG2 3.59Å; C88-Y134 HydrophobicContact CB-CE1 4.35Å
89P81.1Confident87.1Confident35 Ų3551.4 Ų51.423%0.22725%0.247CC..THydrogen-bonded Turntrans-702-177.329.3-35.2000113.8N91 Y92 C93 F123 V128P89-N91 PolarHBondContact O-N 2.89Å; P89-N91 VanDerWaalsContact O-N 3.1Å; P89-Y92 PolarHBondContact O-N 3.19Å; P89-Y92 VanDerWaalsContact O-N 3.11Å; P89-C93 PolarHBondContact O-N 2.65Å; P89-C93 PolarHBondContact O-SG 2.86Å; P89-F123 HydrophobicContact CG-CD1 4.23Å; P89-F123 HydrophobicContact CG-CE1 3.7Å; P89-F123 HydrophobicContact CG-CE2 4.11Å; P89-F123 HydrophobicContact CG-CZ 3.66Å; P89-V128 HydrophobicContact CG-CG1 4.29Å
90I87.1Confident86.9Confident1 Ų147.5 Ų47.51%0.00523%0.23CC..Hα-helixtrans-54-27.8176-167.267.7000113.5Y85 C88 C93 N94 V119 F123 I138Y85-I90 HydrophobicContact CD1-CG2 3.48Å; Y85-I90 VanDerWaalsContact CD1-CG2 3.48Å; Y85-I90 HydrophobicContact CE1-CG2 3.65Å; C88-I90 HydrophobicContact CB-CG2 3.95Å; C88-I90 PolarHBondContact O-N 2.65Å; C88-I90 VanDerWaalsContact SG-CG2 3.59Å; I90-C93 HydrophobicContact CD1-CB 4.24Å; I90-C93 CarbonylContact O-C 3.54Å; I90-C93 WeakPolarHBondContact O-CB 3.39Å; I90-C93 PolarHBondContact O-N 2.69Å; I90-C93 VanDerWaalsContact O-N 3.17Å; I90-N94 PolarHBondContact O-N 3.42Å; I90-V119 HydrophobicContact CD1-CG1 3.73Å; I90-F123 HydrophobicContact CD1-CE2 4.38Å; I90-I138 HydrophobicContact CD1-CG1 3.86Å
91N86.6Confident86.9Confident30 Ų3047.5 Ų47.516%0.1623%0.23CC..Hα-helixtrans-62.6-46.2176.8-166.88.9000112L23 Y85 P89 C93 N94 Q95L23-N91 WeakPolarHBondContact CB-OD1 3.27Å; Y85-N91 HydrophobicContact CD1-CB 4.16Å; Y85-N91 HydrophobicContact CD2-CB 3.75Å; Y85-N91 VanDerWaalsContact CD2-CG 3.47Å; Y85-N91 HydrophobicContact CE1-CB 4.18Å; Y85-N91 HydrophobicContact CE2-CB 3.79Å; Y85-N91 WeakPolarHBondContact CE2-OD1 3.48Å; Y85-N91 HydrophobicContact CG-CB 3.94Å; P89-N91 PolarHBondContact O-N 2.89Å; P89-N91 VanDerWaalsContact O-N 3.1Å; N91-C93 VanDerWaalsContact C-N 3.29Å; N91-C93 PolarHBondContact O-N 3.08Å; N91-N94 PolarHBondContact O-N 3.08Å; N91-Q95 PolarHBondContact O-N 3.41Å; N91-Q95 PolarHBondContact O-NE2 2.89Å
92Y86.6Confident86.7Confident110 Ų11041.4 Ų41.443%0.43120%0.202SC..Hα-helixtrans-67.1-32.6173-56.5-75000111.6P89 Q95 A96 W174P89-Y92 PolarHBondContact O-N 3.19Å; P89-Y92 VanDerWaalsContact O-N 3.11Å; Y92-Q95 PolarHBondContact O-N 2.97Å; Y92-A96 WeakPolarHBondContact O-CB 3.3Å; Y92-A96 PolarHBondContact O-N 3.25Å; Y92-W174 HydrophobicContact CD1-CE3 4.5Å; Y92-W174 AromaticContact CD1-CH2 3.62Å; Y92-W174 HydrophobicContact CD1-CH2 3.62Å; Y92-W174 AromaticContact CD1-CZ3 3.54Å; Y92-W174 HydrophobicContact CD1-CZ3 3.54Å; Y92-W174 AromaticContact CE1-CH2 3.46Å; Y92-W174 HydrophobicContact CE1-CH2 3.46Å; Y92-W174 VanDerWaalsContact CE1-CH2 3.46Å; Y92-W174 HydrophobicContact CE1-CZ2 4.09Å; Y92-W174 AromaticContact CE1-CZ3 3.82Å; Y92-W174 HydrophobicContact CE1-CZ3 3.82Å; Y92-W174 HydrophobicContact CG-CZ3 4.25Å
93C91.2Very high86.5Confident6 Ų641.5 Ų41.54%0.04121%0.205CC..Hα-helixtrans-67.5-38.5176.6-58.60000112.3P89 I90 N91 A96 L97 V119 L122P89-C93 PolarHBondContact O-N 2.65Å; P89-C93 PolarHBondContact O-SG 2.86Å; I90-C93 HydrophobicContact CD1-CB 4.24Å; I90-C93 CarbonylContact O-C 3.54Å; I90-C93 WeakPolarHBondContact O-CB 3.39Å; I90-C93 PolarHBondContact O-N 2.69Å; I90-C93 VanDerWaalsContact O-N 3.17Å; N91-C93 VanDerWaalsContact C-N 3.29Å; N91-C93 PolarHBondContact O-N 3.08Å; C93-A96 PolarHBondContact O-N 2.93Å; C93-L97 WeakPolarHBondContact O-CB 3.44Å; C93-L97 VanDerWaalsContact O-CG 3.32Å; C93-L97 WeakPolarHBondContact O-CG 3.35Å; C93-L97 PolarHBondContact O-N 3.42Å; C93-V119 HydrophobicContact CB-CG1 4.08Å; C93-V119 HydrophobicContact CB-CG2 4.13Å; C93-L122 HydrophobicContact CB-CD1 4.23Å
94N92.1Very high86.4Confident0 Ų037.9 Ų37.90%019%0.187CC..Hα-helixtrans-67.1-37.6174.6-77.6-21.8000111.9I26 Y85 I90 N91 L97 M98 Y137 M139I26-N94 HydrophobicContact CD1-CB 4.11Å; Y85-N94 PolarHBondContact OH-ND2 3.15Å; I90-N94 PolarHBondContact O-N 3.42Å; N91-N94 PolarHBondContact O-N 3.08Å; N94-L97 PolarHBondContact O-N 2.88Å; N94-M98 PolarHBondContact O-N 3.38Å; N94-Y137 PolarHBondContact ND2-O 3.16Å; N94-M139 PolarHBondContact OD1-N 3.35Å
95Q90.6Very high86.5Confident28 Ų2843.4 Ų43.413%0.13120%0.196CC..Hα-helixtrans-61.1-51.3170.5-69.4168.153.400111.1L23 L47 N91 Y92 L97 M98 L99L23-Q95 HydrophobicContact CD2-CG 3.43Å; L23-Q95 VanDerWaalsContact CD2-CG 3.43Å; L47-Q95 HydrophobicContact CD1-CG 4.45Å; N91-Q95 PolarHBondContact O-N 3.41Å; N91-Q95 PolarHBondContact O-NE2 2.89Å; Y92-Q95 PolarHBondContact O-N 2.97Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 2.89Å; Q95-M98 WeakPolarHBondContact O-CB 3.47Å; Q95-M98 PolarHBondContact O-N 3.21Å; Q95-M98 VanDerWaalsContact O-N 3.1Å; Q95-L99 WeakPolarHBondContact O-CG 3.41Å; Q95-L99 PolarHBondContact O-N 3.49Å
96A92Very high87.2Confident2 Ų242.7 Ų42.72%0.01720%0.195CC..Hα-helixtrans-58.6-4217700000112.2Y92 C93 M98 L99 I100 L122 I178 L182Y92-A96 WeakPolarHBondContact O-CB 3.3Å; Y92-A96 PolarHBondContact O-N 3.25Å; C93-A96 PolarHBondContact O-N 2.93Å; A96-M98 PolarHBondContact O-N 2.8Å; A96-L99 PolarHBondContact O-N 3.33Å; A96-I100 WeakPolarHBondContact O-CB 3Å; A96-I100 WeakPolarHBondContact O-CD1 3.44Å; A96-I100 WeakPolarHBondContact O-CG1 3.34Å; A96-I100 PolarHBondContact O-N 2.95Å; A96-L122 HydrophobicContact CB-CD1 3.66Å; A96-L122 HydrophobicContact CB-CD2 4.31Å; A96-I178 HydrophobicContact CB-CG2 4.37Å; A96-L182 HydrophobicContact CB-CD2 4.38Å
97L94.3Very high88.1Confident0 Ų038.7 Ų38.70%018%0.179CC..Hα-helixtrans-58.6-46.3173.1-77.4177000111.8C93 N94 Q95 L99 I100 L101 W114 A115 R118 V119 I138 M139C93-L97 WeakPolarHBondContact O-CB 3.44Å; C93-L97 VanDerWaalsContact O-CG 3.32Å; C93-L97 WeakPolarHBondContact O-CG 3.35Å; C93-L97 PolarHBondContact O-N 3.42Å; N94-L97 PolarHBondContact O-N 2.88Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 2.89Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 3.27Å; L97-I100 PolarHBondContact O-N 2.99Å; L97-L101 WeakPolarHBondContact O-CG 3.47Å; L97-L101 PolarHBondContact O-N 2.97Å; L97-W114 HydrophobicContact CD2-CH2 4.16Å; L97-W114 HydrophobicContact CD2-CZ3 3.91Å; L97-A115 HydrophobicContact CD1-CB 4.25Å; L97-A115 HydrophobicContact CD2-CB 4.27Å; L97-R118 HydrophobicContact CD2-CB 3.88Å; L97-R118 HydrophobicContact CD2-CG 4.34Å; L97-V119 HydrophobicContact CD1-CG2 3.69Å; L97-V119 HydrophobicContact CD2-CG2 4.44Å; L97-V119 HydrophobicContact CG-CG2 4.15Å; L97-I138 HydrophobicContact CD1-CG2 3.69Å; L97-M139 HydrophobicContact CB-CE 3.92Å
98M94.2Very high89.2Confident1 Ų135.7 Ų35.71%0.00517%0.168CC..Hα-helixtrans-58.7-46.5177.8-166.9177.870.500111.1L40 L43 I44 L47 N94 Q95 A96 I100 L101 M139 V147 Y151L40-M98 HydrophobicContact CD2-SD 4.33Å; L43-M98 HydrophobicContact CD2-CE 3.93Å; L43-M98 HydrophobicContact CD2-SD 3.84Å; L43-M98 HydrophobicContact CG-CE 3.97Å; L43-M98 HydrophobicContact CG-SD 4.41Å; I44-M98 HydrophobicContact CG1-CE 4.07Å; I44-M98 HydrophobicContact CG1-SD 4.38Å; L47-M98 HydrophobicContact CD1-CE 3.34Å; N94-M98 PolarHBondContact O-N 3.38Å; Q95-M98 WeakPolarHBondContact O-CB 3.47Å; Q95-M98 PolarHBondContact O-N 3.21Å; Q95-M98 VanDerWaalsContact O-N 3.1Å; A96-M98 PolarHBondContact O-N 2.8Å; M98-I100 PolarHBondContact O-N 2.95Å; M98-L101 PolarHBondContact O-N 3.2Å; M98-M139 HydrophobicContact CB-CE 4.49Å; M98-V147 HydrophobicContact CG-CG1 3.74Å; M98-V147 HydrophobicContact CG-CG2 3.9Å; M98-V147 HydrophobicContact SD-CG2 4.29Å; M98-Y151 WeakPolarHBondContact O-CE2 3.34Å; M98-Y151 PolarHBondContact O-OH 2.85Å
99L93.7Very high90.2Very high11 Ų1140.1 Ų40.16%0.05820%0.195CC..Hα-helixtrans-61.8-40.8176.1-62.3172.1000112.4Q95 A96 L97 L101 L102 V161 F164 I165 L182Q95-L99 WeakPolarHBondContact O-CG 3.41Å; Q95-L99 PolarHBondContact O-N 3.49Å; A96-L99 PolarHBondContact O-N 3.33Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 3.27Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-L101 PolarHBondContact O-N 3.46Å; L99-L102 WeakPolarHBondContact O-CB 3.45Å; L99-L102 PolarHBondContact O-N 2.86Å; L99-V161 HydrophobicContact CD2-CG1 3.71Å; L99-F164 HydrophobicContact CD1-CE1 4.01Å; L99-F164 HydrophobicContact CD2-CD1 4.11Å; L99-F164 HydrophobicContact CD2-CE1 4.24Å; L99-I165 HydrophobicContact CB-CD1 4.05Å; L99-I165 HydrophobicContact CD1-CG1 4.41Å; L99-I165 HydrophobicContact CD2-CD1 4.4Å; L99-I165 HydrophobicContact CD2-CG1 4.38Å; L99-L182 HydrophobicContact CB-CD1 4.5Å; L99-L182 HydrophobicContact CB-CD2 4.35Å; L99-L182 HydrophobicContact CD1-CD1 3.86Å
100I93.9Very high90.7Very high0 Ų039 Ų390%019%0.188CC..Hα-helixtrans-66.5-31.1179.3-71.4166.9000112.4A96 L97 M98 L102 G103 K104 W114 Y181 L182 F185A96-I100 WeakPolarHBondContact O-CB 3Å; A96-I100 WeakPolarHBondContact O-CD1 3.44Å; A96-I100 WeakPolarHBondContact O-CG1 3.34Å; A96-I100 PolarHBondContact O-N 2.95Å; L97-I100 PolarHBondContact O-N 2.99Å; M98-I100 PolarHBondContact O-N 2.95Å; I100-L102 PolarHBondContact O-N 3.37Å; I100-G103 PolarHBondContact O-N 3.23Å; I100-K104 PolarHBondContact O-N 2.66Å; I100-W114 HydrophobicContact CB-CH2 4.42Å; I100-W114 HydrophobicContact CG2-CH2 3.59Å; I100-W114 HydrophobicContact CG2-CZ2 3.55Å; I100-Y181 HydrophobicContact CD1-CD1 4.42Å; I100-Y181 HydrophobicContact CD1-CE1 3.78Å; I100-L182 HydrophobicContact CD1-CD2 3.75Å; I100-L182 HydrophobicContact CG1-CD2 3.33Å; I100-F185 HydrophobicContact CG2-CD1 3.62Å; I100-F185 HydrophobicContact CG2-CE1 3.33Å; I100-F185 HydrophobicContact CG2-CE2 4.37Å; I100-F185 HydrophobicContact CG2-CG 4.28Å; I100-F185 HydrophobicContact CG2-CZ 3.73Å
101L95.4Very high91Very high0 Ų039.2 Ų39.20%019%0.189CC..THydrogen-bonded Turntrans-61.9-14.3178.8-74.8176.3000113.8L97 M98 L99 G103 K104 V106 Y111 W114 M139 A144 V147 Y151L97-L101 WeakPolarHBondContact O-CG 3.47Å; L97-L101 PolarHBondContact O-N 2.97Å; M98-L101 PolarHBondContact O-N 3.2Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-L101 PolarHBondContact O-N 3.46Å; L101-G103 PolarHBondContact O-N 3.33Å; L101-K104 HydrophobicContact CD2-CB 4.33Å; L101-K104 PolarHBondContact O-N 2.68Å; L101-V106 HydrophobicContact CD2-CG2 3.51Å; L101-Y111 HydrophobicContact CD2-CE2 4.31Å; L101-W114 HydrophobicContact CD2-CH2 4.19Å; L101-W114 HydrophobicContact CD2-CZ3 4.1Å; L101-M139 HydrophobicContact CD1-CE 3.59Å; L101-A144 HydrophobicContact CD1-CB 3.68Å; L101-V147 HydrophobicContact CB-CG1 3.89Å; L101-V147 HydrophobicContact CD1-CB 3.96Å; L101-V147 HydrophobicContact CD1-CG1 3.83Å; L101-Y151 HydrophobicContact CB-CD2 4.49Å; L101-Y151 HydrophobicContact CB-CE2 4.28Å
102L92.9Very high91.4Very high5 Ų542.6 Ų42.63%0.02621%0.211CC..THydrogen-bonded Turntrans-51.1-40.9166.3179.357.8000112.3L99 I100 Y151 R158 V161 L162 L186 L242L99-L102 WeakPolarHBondContact O-CB 3.45Å; L99-L102 PolarHBondContact O-N 2.86Å; I100-L102 PolarHBondContact O-N 3.37Å; L102-Y151 HydrophobicContact CB-CD2 4.22Å; L102-Y151 HydrophobicContact CB-CE2 4.21Å; L102-Y151 HydrophobicContact CD1-CG 4.32Å; L102-R158 HydrophobicContact CD1-CB 3.63Å; L102-R158 HydrophobicContact CD1-CG 3.43Å; L102-R158 VanDerWaalsContact CD1-CG 3.43Å; L102-V161 HydrophobicContact CD2-CB 4.43Å; L102-V161 HydrophobicContact CD2-CG1 3.92Å; L102-L162 HydrophobicContact CD2-CB 4.37Å; L102-L186 HydrophobicContact CB-CD2 4.23Å; L102-L186 HydrophobicContact CD2-CD1 4.35Å; L102-L242 HydrophobicContact CD1-CB 4.39Å; L102-L242 HydrophobicContact CD2-CB 4.45Å; L102-L242 HydrophobicContact CD2-CD1 3.93Å; L102-L242 HydrophobicContact CG-CB 4.24Å; L102-L242 HydrophobicContact CG-CD1 4.03Å; L102-L242 HydrophobicContact CG-CD2 4.11Å; L102-L242 HydrophobicContact CG-CG 4.36Å; L102-L242 WeakPolarHBondContact O-CD2 3.24Å
103G87.7Confident91.7Very high16 Ų1640 Ų4017%0.16521%0.213CC..THydrogen-bonded Turntrans-101-10.7-178.600000115.8I100 L101I100-G103 PolarHBondContact O-N 3.23Å; L101-G103 PolarHBondContact O-N 3.33Å
104K86.9Confident91.9Very high30 Ų3039.9 Ų39.913%0.1321%0.211CC..  trans-113.7117.7-172.1-179.371.2174.483.80111.8I100 L101 V106 W114 N148I100-K104 PolarHBondContact O-N 2.66Å; L101-K104 HydrophobicContact CD2-CB 4.33Å; L101-K104 PolarHBondContact O-N 2.68Å; K104-V106 PolarHBondContact O-N 3.38Å; K104-W114 HydrophobicContact CB-CH2 4.23Å; K104-W114 HydrophobicContact CB-CZ2 3.95Å; K104-W114 HydrophobicContact CD-CZ2 4.15Å; K104-W114 HydrophobicContact CG-CD2 4.3Å; K104-W114 HydrophobicContact CG-CH2 4.03Å; K104-W114 HydrophobicContact CG-CZ2 3.65Å; K104-W114 HydrophobicContact CG-CZ3 4.47Å; K104-N148 PolarHBondContact O-ND2 2.83Å
105R88.4Confident92.1Very high206 Ų20639.9 Ų39.978%0.77721%0.211SC*.  trans-63.5128.1163.5-177.5177.1178.2178.7-0.4109.9
106V91.5Very high92.3Very high19 Ų1942.5 Ų42.512%0.11522%0.22CC..  trans-77.5135.6173.8179.80000109.6L101 K104 Y111 V141 A144 T145 N148L101-V106 HydrophobicContact CD2-CG2 3.51Å; K104-V106 PolarHBondContact O-N 3.38Å; V106-Y111 HydrophobicContact CG1-CD2 4.04Å; V106-Y111 HydrophobicContact CG1-CG 4.19Å; V106-Y111 HydrophobicContact CG2-CD2 4.35Å; V106-V141 HydrophobicContact CG1-CG2 4.07Å; V106-A144 HydrophobicContact CG1-CB 4.44Å; V106-A144 HydrophobicContact CG2-CB 4.11Å; V106-T145 WeakPolarHBondContact CG1-OG1 3.41Å; V106-N148 HydrophobicContact CB-CB 4.46Å; V106-N148 HydrophobicContact CG2-CB 3.85Å
107D90.1Very high92.4Very high70 Ų7043.9 Ų43.937%0.37423%0.231SC..  trans-128.4124.6174.6171.5-10.4000107T109 S110 Y111D107-T109 PolarHBondContact O-N 3.41Å; D107-T109 WeakPolarHBondContact OD1-CB 3.49Å; D107-T109 PolarHBondContact OD1-N 2.56Å; D107-T109 PolarHBondContact OD1-OG1 3.46Å; D107-T109 PolarHBondContact OD2-OG1 2.92Å; D107-S110 PolarHBondContact O-N 3.23Å; D107-S110 VanDerWaalsContact O-N 3.09Å; D107-Y111 VanDerWaalsContact O-CB 3.24Å; D107-Y111 WeakPolarHBondContact O-CB 3.23Å; D107-Y111 PolarHBondContact O-N 3.17Å
108Q89Confident92.4Very high161 Ų16144.2 Ų44.275%0.75223%0.232SC*.THydrogen-bonded Turntrans-63.4-28.1-174.8-169.2172.73.300113.4S110 V141Q108-S110 VanDerWaalsContact C-N 3.32Å; Q108-V141 HydrophobicContact CB-CG2 4.46Å; Q108-V141 HydrophobicContact CG-CG2 4.33Å
109T89.6Confident92.4Very high112 Ų11244.1 Ų44.169%0.68723%0.232SC*.THydrogen-bonded Turntrans-78.9-19.1177.868.90000113.1D107D107-T109 PolarHBondContact O-N 3.41Å; D107-T109 WeakPolarHBondContact OD1-CB 3.49Å; D107-T109 PolarHBondContact OD1-N 2.56Å; D107-T109 PolarHBondContact OD1-OG1 3.46Å; D107-T109 PolarHBondContact OD2-OG1 2.92Å
110S90.7Very high92.4Very high11 Ų1147.9 Ų47.98%0.07725%0.248CC..THydrogen-bonded Turntrans-119.3-29.4-162.51210000112.5D107 Q108 T112 A113 W114 P450D107-S110 PolarHBondContact O-N 3.23Å; D107-S110 VanDerWaalsContact O-N 3.09Å; Q108-S110 VanDerWaalsContact C-N 3.32Å; S110-T112 PolarHBondContact O-N 3.03Å; S110-A113 PolarHBondContact O-N 3.33Å; S110-W114 PolarHBondContact O-N 2.85Å; S110-P450 WeakPolarHBondContact O-CG 3.28Å; S110-P450 WeakPolarHBondContact OG-CG 3.24Å
111Y94.4Very high92.4Very high5 Ų549.5 Ų49.52%0.0226%0.259CS..Hα-helixtrans-57.1-46.1-166.1173-95.4000113.8L101 V106 D107 A113 W114 A115 M139 V141 A144L101-Y111 HydrophobicContact CD2-CE2 4.31Å; V106-Y111 HydrophobicContact CG1-CD2 4.04Å; V106-Y111 HydrophobicContact CG1-CG 4.19Å; V106-Y111 HydrophobicContact CG2-CD2 4.35Å; D107-Y111 VanDerWaalsContact O-CB 3.24Å; D107-Y111 WeakPolarHBondContact O-CB 3.23Å; D107-Y111 PolarHBondContact O-N 3.17Å; Y111-A113 PolarHBondContact O-N 3.32Å; Y111-W114 AromaticContact CD2-CE3 3.98Å; Y111-W114 HydrophobicContact CD2-CE3 3.98Å; Y111-W114 HydrophobicContact CD2-CZ3 4.26Å; Y111-W114 AromaticContact CE2-CE3 3.94Å; Y111-W114 HydrophobicContact CE2-CE3 3.94Å; Y111-W114 AromaticContact CE2-CZ3 3.83Å; Y111-W114 HydrophobicContact CE2-CZ3 3.83Å; Y111-W114 PolarHBondContact O-N 2.77Å; Y111-A115 HydrophobicContact CE1-CB 3.98Å; Y111-A115 HydrophobicContact CE2-CB 4.08Å; Y111-A115 WeakPolarHBondContact O-CB 3.4Å; Y111-A115 PolarHBondContact O-N 2.87Å; Y111-M139 WeakPolarHBondContact CE1-O 3.47Å; Y111-M139 PolarHBondContact OH-O 3.26Å; Y111-V141 HydrophobicContact CD1-CB 3.74Å; Y111-V141 HydrophobicContact CD1-CG2 4.05Å; Y111-V141 HydrophobicContact CE1-CB 4.42Å; Y111-V141 HydrophobicContact CG-CB 4.34Å; Y111-V141 HydrophobicContact CG-CG2 4.14Å; Y111-A144 HydrophobicContact CD2-CB 3.98Å; Y111-A144 HydrophobicContact CE1-CB 3.96Å; Y111-A144 HydrophobicContact CE2-CB 3.35Å
112T94.3Very high92.2Very high102 Ų10249.7 Ų49.763%0.62626%0.26SS*.Hα-helixtrans-59.9-44.6-174.7-52.20000112.6S110 R116S110-T112 PolarHBondContact O-N 3.03Å; T112-R116 WeakPolarHBondContact O-CB 3.26Å; T112-R116 PolarHBondContact O-N 2.98Å
113A93.6Very high92.2Very high56 Ų5649.5 Ų49.546%0.46326%0.259SS..Hα-helixtrans-69.4-41.9177.600000111.5S110 Y111 R116 A117 P450S110-A113 PolarHBondContact O-N 3.33Å; Y111-A113 PolarHBondContact O-N 3.32Å; A113-R116 PolarHBondContact O-N 3.5Å; A113-A117 WeakPolarHBondContact O-CB 3.5Å; A113-A117 PolarHBondContact O-N 2.87Å; A113-P450 HydrophobicContact CB-CB 3.88Å
114W94.3Very high92.3Very high2 Ų252.8 Ų52.81%0.00828%0.279CS..Hα-helixtrans-59.5-49.6174.6173.885.7000111.9L97 I100 L101 K104 S110 Y111 A117 R118 F185 P450L97-W114 HydrophobicContact CD2-CH2 4.16Å; L97-W114 HydrophobicContact CD2-CZ3 3.91Å; I100-W114 HydrophobicContact CB-CH2 4.42Å; I100-W114 HydrophobicContact CG2-CH2 3.59Å; I100-W114 HydrophobicContact CG2-CZ2 3.55Å; L101-W114 HydrophobicContact CD2-CH2 4.19Å; L101-W114 HydrophobicContact CD2-CZ3 4.1Å; K104-W114 HydrophobicContact CB-CH2 4.23Å; K104-W114 HydrophobicContact CB-CZ2 3.95Å; K104-W114 HydrophobicContact CD-CZ2 4.15Å; K104-W114 HydrophobicContact CG-CD2 4.3Å; K104-W114 HydrophobicContact CG-CH2 4.03Å; K104-W114 HydrophobicContact CG-CZ2 3.65Å; K104-W114 HydrophobicContact CG-CZ3 4.47Å; S110-W114 PolarHBondContact O-N 2.85Å; Y111-W114 AromaticContact CD2-CE3 3.98Å; Y111-W114 HydrophobicContact CD2-CE3 3.98Å; Y111-W114 HydrophobicContact CD2-CZ3 4.26Å; Y111-W114 AromaticContact CE2-CE3 3.94Å; Y111-W114 HydrophobicContact CE2-CE3 3.94Å; Y111-W114 AromaticContact CE2-CZ3 3.83Å; Y111-W114 HydrophobicContact CE2-CZ3 3.83Å; Y111-W114 PolarHBondContact O-N 2.77Å; W114-A117 WeakPolarHBondContact O-CB 3.31Å; W114-A117 PolarHBondContact O-N 3.15Å; W114-R118 HydrophobicContact CD2-CG 4.07Å; W114-R118 HydrophobicContact CE3-CG 4.45Å; W114-R118 HydrophobicContact CH2-CG 4.08Å; W114-R118 HydrophobicContact CZ2-CG 3.68Å; W114-R118 HydrophobicContact CZ3-CG 4.45Å; W114-R118 WeakPolarHBondContact O-CG 3.47Å; W114-R118 PolarHBondContact O-N 3.36Å; W114-F185 HydrophobicContact CZ2-CE2 4.45Å; W114-F185 AromaticContact CZ2-CZ 3.82Å; W114-F185 HydrophobicContact CZ2-CZ 3.82Å; W114-P450 HydrophobicContact CB-CB 3.97Å; W114-P450 HydrophobicContact CB-CG 4.03Å
115A95.7Very high92.3Very high0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-62.7-45.9-179.200000111L97 Y111 A117 R118 V119 I138L97-A115 HydrophobicContact CD1-CB 4.25Å; L97-A115 HydrophobicContact CD2-CB 4.27Å; Y111-A115 HydrophobicContact CE1-CB 3.98Å; Y111-A115 HydrophobicContact CE2-CB 4.08Å; Y111-A115 WeakPolarHBondContact O-CB 3.4Å; Y111-A115 PolarHBondContact O-N 2.87Å; A115-A117 VanDerWaalsContact C-N 3.29Å; A115-A117 PolarHBondContact O-N 2.84Å; A115-R118 PolarHBondContact O-N 2.89Å; A115-R118 VanDerWaalsContact O-N 3.16Å; A115-V119 VanDerWaalsContact O-CG2 3.27Å; A115-V119 WeakPolarHBondContact O-CG2 3.37Å; A115-V119 PolarHBondContact O-N 3.21Å; A115-I138 HydrophobicContact CB-CG2 3.9Å
116R95.4Very high92.1Very high84 Ų8447.9 Ų47.932%0.31727%0.267SS..Hα-helixtrans-58.2-39.8174.4-168.8176.6-173.4173.2-2.9112.2T112 A113 K120 F130 D132 I138T112-R116 WeakPolarHBondContact O-CB 3.26Å; T112-R116 PolarHBondContact O-N 2.98Å; A113-R116 PolarHBondContact O-N 3.5Å; R116-K120 WeakPolarHBondContact O-CB 3.29Å; R116-K120 WeakPolarHBondContact O-CG 3.46Å; R116-K120 PolarHBondContact O-N 2.93Å; R116-F130 HydrophobicContact CG-CE1 4.35Å; R116-F130 HydrophobicContact CG-CZ 4.19Å; R116-D132 IonicContact CZ-OD1 2.67Å; R116-D132 IonicContact NE-OD1 2.59Å; R116-D132 IonicContact NH2-OD1 3.9Å; R116-D132 PolarHBondContact NH2-OD1 2.95Å; R116-D132 IonicContact NH2-OD2 2.77Å; R116-D132 PolarHBondContact NH2-OD2 3.34Å; R116-I138 HydrophobicContact CB-CD1 4.18Å; R116-I138 HydrophobicContact CG-CD1 4.37Å
117A94.6Very high91.9Very high30 Ų3052.7 Ų52.725%0.24830%0.301CS..Hα-helixtrans-65.2-44175.100000112.4A113 W114 A115 K120 S121A113-A117 WeakPolarHBondContact O-CB 3.5Å; A113-A117 PolarHBondContact O-N 2.87Å; W114-A117 WeakPolarHBondContact O-CB 3.31Å; W114-A117 PolarHBondContact O-N 3.15Å; A115-A117 VanDerWaalsContact C-N 3.29Å; A115-A117 PolarHBondContact O-N 2.84Å; A117-K120 PolarHBondContact O-N 3.17Å; A117-S121 PolarHBondContact O-N 3.47Å; A117-S121 PolarHBondContact O-OG 3.46Å
118R94.4Very high91.7Very high7 Ų752.1 Ų52.13%0.02630%0.3CS..Hα-helixtrans-64.2-42.5176.8-57.6-52.577.3-151.62.5111.7L97 W114 A115 S121 L122 Y181L97-R118 HydrophobicContact CD2-CB 3.88Å; L97-R118 HydrophobicContact CD2-CG 4.34Å; W114-R118 HydrophobicContact CD2-CG 4.07Å; W114-R118 HydrophobicContact CE3-CG 4.45Å; W114-R118 HydrophobicContact CH2-CG 4.08Å; W114-R118 HydrophobicContact CZ2-CG 3.68Å; W114-R118 HydrophobicContact CZ3-CG 4.45Å; W114-R118 WeakPolarHBondContact O-CG 3.47Å; W114-R118 PolarHBondContact O-N 3.36Å; A115-R118 PolarHBondContact O-N 2.89Å; A115-R118 VanDerWaalsContact O-N 3.16Å; R118-S121 WeakPolarHBondContact O-CB 3.04Å; R118-S121 PolarHBondContact O-N 2.94Å; R118-L122 WeakPolarHBondContact O-CG 3.26Å; R118-L122 PolarHBondContact O-N 3.37Å; R118-Y181 WeakPolarHBondContact CD-OH 3.26Å; R118-Y181 PolarHBondContact NH1-OH 2.91Å
119V94.1Very high91.8Very high0 Ų051.5 Ų51.50%030%0.297CS..Hα-helixtrans-63.6-43.4176.7175.30000111I90 C93 L97 A115 S121 L122 F123 F130 I138I90-V119 HydrophobicContact CD1-CG1 3.73Å; C93-V119 HydrophobicContact CB-CG1 4.08Å; C93-V119 HydrophobicContact CB-CG2 4.13Å; L97-V119 HydrophobicContact CD1-CG2 3.69Å; L97-V119 HydrophobicContact CD2-CG2 4.44Å; L97-V119 HydrophobicContact CG-CG2 4.15Å; A115-V119 VanDerWaalsContact O-CG2 3.27Å; A115-V119 WeakPolarHBondContact O-CG2 3.37Å; A115-V119 PolarHBondContact O-N 3.21Å; V119-S121 VanDerWaalsContact C-N 3.33Å; V119-S121 PolarHBondContact O-N 3.43Å; V119-L122 PolarHBondContact O-N 3.34Å; V119-F123 HydrophobicContact CG1-CD2 3.76Å; V119-F123 HydrophobicContact CG1-CE2 3.69Å; V119-F123 VanDerWaalsContact O-CD2 3.32Å; V119-F123 WeakPolarHBondContact O-CD2 3.34Å; V119-F123 PolarHBondContact O-N 3.22Å; V119-F130 HydrophobicContact CG1-CD2 3.95Å; V119-F130 HydrophobicContact CG1-CE2 3.67Å; V119-I138 HydrophobicContact CB-CD1 4.21Å; V119-I138 HydrophobicContact CG1-CD1 4.38Å; V119-I138 HydrophobicContact CG1-CG1 4.5Å; V119-I138 HydrophobicContact CG2-CD1 4.07Å; V119-I138 HydrophobicContact CG2-CG1 4.13Å; V119-I138 HydrophobicContact CG2-CG2 4.35Å
120K94.2Very high91.8Very high89 Ų8947.5 Ų47.539%0.38727%0.27SS..Hα-helixtrans-56.1-45.6172-79.8-176.8173.5-169.30111.7R116 A117 L122 F123 S124 F130R116-K120 WeakPolarHBondContact O-CB 3.29Å; R116-K120 WeakPolarHBondContact O-CG 3.46Å; R116-K120 PolarHBondContact O-N 2.93Å; A117-K120 PolarHBondContact O-N 3.17Å; K120-L122 PolarHBondContact O-N 3.26Å; K120-F123 PolarHBondContact O-N 3.29Å; K120-S124 PolarHBondContact O-N 3.47Å; K120-S124 PolarHBondContact O-OG 2.67Å; K120-S124 VanDerWaalsContact O-OG 3.1Å; K120-F130 HydrophobicContact CD-CD1 4.21Å; K120-F130 VanDerWaalsContact CE-CD1 3.41Å; K120-F130 HydrophobicContact CG-CB 3.98Å; K120-F130 HydrophobicContact CG-CD1 3.72Å; K120-F130 HydrophobicContact CG-CD2 4.16Å; K120-F130 HydrophobicContact CG-CE1 4.27Å; K120-F130 HydrophobicContact CG-CG 3.66Å
121S92.9Very high91.8Very high35 Ų3552 Ų5225%0.24529%0.289CS..Hα-helixtrans-58.4-44.9175.7-560000112.9A117 R118 V119 S124 M125A117-S121 PolarHBondContact O-N 3.47Å; A117-S121 PolarHBondContact O-OG 3.46Å; R118-S121 WeakPolarHBondContact O-CB 3.04Å; R118-S121 PolarHBondContact O-N 2.94Å; V119-S121 VanDerWaalsContact C-N 3.33Å; V119-S121 PolarHBondContact O-N 3.43Å; S121-S124 PolarHBondContact O-N 3.46Å; S121-M125 WeakPolarHBondContact O-CG 3.38Å; S121-M125 PolarHBondContact O-N 3.49Å
122L91.8Very high91.6Very high3 Ų356.3 Ų56.32%0.01631%0.312CS..Hα-helixtrans-65.1-38.6178.6-69.2164.6000112.4C93 A96 R118 V119 K120 M125 H126 I178 Y181C93-L122 HydrophobicContact CB-CD1 4.23Å; A96-L122 HydrophobicContact CB-CD1 3.66Å; A96-L122 HydrophobicContact CB-CD2 4.31Å; R118-L122 WeakPolarHBondContact O-CG 3.26Å; R118-L122 PolarHBondContact O-N 3.37Å; V119-L122 PolarHBondContact O-N 3.34Å; K120-L122 PolarHBondContact O-N 3.26Å; L122-M125 HydrophobicContact CD2-SD 4.1Å; L122-M125 PolarHBondContact O-N 3.42Å; L122-H126 PolarHBondContact O-CD2 3.25Å; L122-I178 HydrophobicContact CD2-CG1 4.37Å; L122-I178 HydrophobicContact CD2-CG2 4.33Å; L122-Y181 HydrophobicContact CD2-CD1 3.81Å; L122-Y181 HydrophobicContact CD2-CE1 3.89Å; L122-Y181 HydrophobicContact CG-CE1 4.13Å
123F91.7Very high91.4Very high1 Ų157.2 Ų57.20%0.00431%0.313CS..Hα-helixtrans-62.6-44.8172.2-92.7-111.8000111.7P89 I90 V119 K120 M125 H126 S127 V128 F130 Y134P89-F123 HydrophobicContact CG-CD1 4.23Å; P89-F123 HydrophobicContact CG-CE1 3.7Å; P89-F123 HydrophobicContact CG-CE2 4.11Å; P89-F123 HydrophobicContact CG-CZ 3.66Å; I90-F123 HydrophobicContact CD1-CE2 4.38Å; V119-F123 HydrophobicContact CG1-CD2 3.76Å; V119-F123 HydrophobicContact CG1-CE2 3.69Å; V119-F123 VanDerWaalsContact O-CD2 3.32Å; V119-F123 WeakPolarHBondContact O-CD2 3.34Å; V119-F123 PolarHBondContact O-N 3.22Å; K120-F123 PolarHBondContact O-N 3.29Å; F123-M125 VanDerWaalsContact C-N 3.34Å; F123-M125 PolarHBondContact O-N 3.47Å; F123-H126 PolarHBondContact O-N 3.28Å; F123-H126 VanDerWaalsContact O-N 3.17Å; F123-S127 PolarHBondContact O-N 2.91Å; F123-V128 CarbonylContact C-O 3.52Å; F123-V128 HydrophobicContact CD1-CB 4Å; F123-V128 HydrophobicContact CD1-CG1 3.74Å; F123-V128 HydrophobicContact CE1-CG1 4.01Å; F123-V128 PolarHBondContact O-N 3.23Å; F123-F130 HydrophobicContact CB-CB 4.2Å; F123-F130 HydrophobicContact CD1-CB 4.08Å; F123-F130 HydrophobicContact CD1-CD2 4.36Å; F123-F130 HydrophobicContact CD2-CD2 4.09Å; F123-F130 HydrophobicContact CE1-CD2 4.42Å; F123-F130 HydrophobicContact CE2-CD2 4.14Å; F123-F130 HydrophobicContact CG-CB 4.17Å; F123-F130 HydrophobicContact CG-CD2 4.18Å; F123-F130 HydrophobicContact CZ-CD2 4.29Å; F123-Y134 AromaticContact CE1-CD2 3.63Å; F123-Y134 HydrophobicContact CE1-CD2 3.63Å; F123-Y134 AromaticContact CE1-CE2 3.72Å; F123-Y134 HydrophobicContact CE1-CE2 3.72Å; F123-Y134 AromaticContact CZ-CD2 3.71Å; F123-Y134 HydrophobicContact CZ-CD2 3.71Å; F123-Y134 HydrophobicContact CZ-CE2 4.16Å; F123-Y134 HydrophobicContact CZ-CG 4.48Å
124S90.7Very high91.2Very high85 Ų8557 Ų5759%0.59430%0.3SS*.Hα-helixtrans-62.7-34.7177.8-610000113.6K120 S121 H126 S127K120-S124 PolarHBondContact O-N 3.47Å; K120-S124 PolarHBondContact O-OG 2.67Å; K120-S124 VanDerWaalsContact O-OG 3.1Å; S121-S124 PolarHBondContact O-N 3.46Å; S124-H126 PolarHBondContact O-N 3.41Å; S124-S127 PolarHBondContact O-N 2.91Å; S124-S127 VanDerWaalsContact O-N 3.08Å
125M87.6Confident91Very high66 Ų6658.4 Ų58.433%0.32531%0.313SS..Hα-helixtrans-60.6-31.6175.3-70.5160.8-163.500112.8S121 L122 F123 Y181S121-M125 WeakPolarHBondContact O-CG 3.38Å; S121-M125 PolarHBondContact O-N 3.49Å; L122-M125 HydrophobicContact CD2-SD 4.1Å; L122-M125 PolarHBondContact O-N 3.42Å; F123-M125 VanDerWaalsContact C-N 3.34Å; F123-M125 PolarHBondContact O-N 3.47Å; M125-Y181 HydrophobicContact CE-CD1 4.07Å; M125-Y181 HydrophobicContact CE-CD2 3.23Å; M125-Y181 HydrophobicContact CE-CE1 4.4Å; M125-Y181 HydrophobicContact CE-CE2 3.6Å; M125-Y181 HydrophobicContact CE-CG 3.44Å; M125-Y181 VanDerWaalsContact CE-CG 3.44Å; M125-Y181 HydrophobicContact SD-CG 4.17Å
126H83.9Confident90.7Very high68 Ų6864.9 Ų64.932%0.31534%0.341SS..THydrogen-bonded Turntrans-95.510.3177.4-62.3-53.9000113.5L122 F123 S124 V128L122-H126 PolarHBondContact O-CD2 3.25Å; F123-H126 PolarHBondContact O-N 3.28Å; F123-H126 VanDerWaalsContact O-N 3.17Å; S124-H126 PolarHBondContact O-N 3.41Å; H126-V128 HydrophobicContact CB-CG2 3.98Å; H126-V128 PolarHBondContact O-N 3.15Å
127S85.8Confident90.5Very high120 Ų12062.4 Ų62.484%0.83933%0.331SS*.THydrogen-bonded Turntrans54.429.9-174-58.70000113.7F123 S124F123-S127 PolarHBondContact O-N 2.91Å; S124-S127 PolarHBondContact O-N 2.91Å; S124-S127 VanDerWaalsContact O-N 3.08Å
128V87.4Confident90.4Very high58 Ų5861.8 Ų61.835%0.35232%0.324SS..  trans-99.3131.9177.6-174.50000109.5P89 F123 H126 F130P89-V128 HydrophobicContact CG-CG1 4.29Å; F123-V128 CarbonylContact C-O 3.52Å; F123-V128 HydrophobicContact CD1-CB 4Å; F123-V128 HydrophobicContact CD1-CG1 3.74Å; F123-V128 HydrophobicContact CE1-CG1 4.01Å; F123-V128 PolarHBondContact O-N 3.23Å; H126-V128 HydrophobicContact CB-CG2 3.98Å; H126-V128 PolarHBondContact O-N 3.15Å; V128-F130 PolarHBondContact O-N 2.78Å
129E89.8Confident90.4Very high148 Ų14861.5 Ų61.569%0.69232%0.323SS*.  trans-67.4125.3173.8-173-176.2-163.900111.1K131E129-K131 PolarHBondContact O-N 2.66Å
130F91.1Very high90.4Very high28 Ų2863.9 Ų63.912%0.12334%0.336CS..  trans-78.1110.9170.1178.6-88.5000109.8R116 V119 K120 F123 V128 D132 A135 I138R116-F130 HydrophobicContact CG-CE1 4.35Å; R116-F130 HydrophobicContact CG-CZ 4.19Å; V119-F130 HydrophobicContact CG1-CD2 3.95Å; V119-F130 HydrophobicContact CG1-CE2 3.67Å; K120-F130 HydrophobicContact CD-CD1 4.21Å; K120-F130 VanDerWaalsContact CE-CD1 3.41Å; K120-F130 HydrophobicContact CG-CB 3.98Å; K120-F130 HydrophobicContact CG-CD1 3.72Å; K120-F130 HydrophobicContact CG-CD2 4.16Å; K120-F130 HydrophobicContact CG-CE1 4.27Å; K120-F130 HydrophobicContact CG-CG 3.66Å; F123-F130 HydrophobicContact CB-CB 4.2Å; F123-F130 HydrophobicContact CD1-CB 4.08Å; F123-F130 HydrophobicContact CD1-CD2 4.36Å; F123-F130 HydrophobicContact CD2-CD2 4.09Å; F123-F130 HydrophobicContact CE1-CD2 4.42Å; F123-F130 HydrophobicContact CE2-CD2 4.14Å; F123-F130 HydrophobicContact CG-CB 4.17Å; F123-F130 HydrophobicContact CG-CD2 4.18Å; F123-F130 HydrophobicContact CZ-CD2 4.29Å; V128-F130 PolarHBondContact O-N 2.78Å; F130-D132 WeakPolarHBondContact CE1-OD1 3.22Å; F130-A135 HydrophobicContact CZ-CB 4.28Å; F130-I138 HydrophobicContact CZ-CD1 4.44Å
131K90.7Very high90.5Very high106 Ų10661.2 Ų61.246%0.46133%0.326SS..  trans-84.5138.5171.1-57-174-177.7-177.10110.2E129 D133 Y134E129-K131 PolarHBondContact O-N 2.66Å; K131-D133 PolarHBondContact O-N 3.43Å; K131-Y134 HydrophobicContact CB-CD2 3.83Å; K131-Y134 HydrophobicContact CB-CE1 4.48Å; K131-Y134 HydrophobicContact CB-CE2 3.67Å; K131-Y134 HydrophobicContact CB-CG 4.3Å; K131-Y134 HydrophobicContact CD-CE2 4.21Å; K131-Y134 HydrophobicContact CG-CD2 4.43Å; K131-Y134 HydrophobicContact CG-CE2 3.8Å; K131-Y134 VanDerWaalsContact O-CB 3.28Å; K131-Y134 WeakPolarHBondContact O-CB 3.41Å; K131-Y134 WeakPolarHBondContact O-CD2 3.45Å; K131-Y134 PolarHBondContact O-N 3.21Å
132D89.8Confident90.7Very high94 Ų9462.5 Ų62.550%0.50333%0.333SS..G310 helixtrans-64.5-26.9-176.3-81.5-15.2000113.7R116 F130 Y134 A135R116-D132 IonicContact CZ-OD1 2.67Å; R116-D132 IonicContact NE-OD1 2.59Å; R116-D132 IonicContact NH2-OD1 3.9Å; R116-D132 PolarHBondContact NH2-OD1 2.95Å; R116-D132 IonicContact NH2-OD2 2.77Å; R116-D132 PolarHBondContact NH2-OD2 3.34Å; F130-D132 WeakPolarHBondContact CE1-OD1 3.22Å; D132-Y134 PolarHBondContact O-N 3.42Å; D132-Y134 VanDerWaalsContact O-N 3.16Å; D132-A135 WeakPolarHBondContact O-CB 3.49Å; D132-A135 PolarHBondContact O-N 3.16Å
133D89Confident90.9Very high122 Ų12262.4 Ų62.465%0.65233%0.332SS*.G310 helixtrans-59.9-21.4171-66.9-39.7000113.6K131 A135 K136K131-D133 PolarHBondContact O-N 3.43Å; D133-A135 PolarHBondContact O-N 3.46Å; D133-K136 WeakPolarHBondContact O-CG 3.2Å
134Y89.7Confident91.1Very high51 Ų5162.3 Ų62.320%0.233%0.332CS..G310 helixtrans-73.6-15.5174.9-57-31.6000112.9C88 F123 K131 D132 K136 Y137C88-Y134 HydrophobicContact CB-CE1 4.35Å; F123-Y134 AromaticContact CE1-CD2 3.63Å; F123-Y134 HydrophobicContact CE1-CD2 3.63Å; F123-Y134 AromaticContact CE1-CE2 3.72Å; F123-Y134 HydrophobicContact CE1-CE2 3.72Å; F123-Y134 AromaticContact CZ-CD2 3.71Å; F123-Y134 HydrophobicContact CZ-CD2 3.71Å; F123-Y134 HydrophobicContact CZ-CE2 4.16Å; F123-Y134 HydrophobicContact CZ-CG 4.48Å; K131-Y134 HydrophobicContact CB-CD2 3.83Å; K131-Y134 HydrophobicContact CB-CE1 4.48Å; K131-Y134 HydrophobicContact CB-CE2 3.67Å; K131-Y134 HydrophobicContact CB-CG 4.3Å; K131-Y134 HydrophobicContact CD-CE2 4.21Å; K131-Y134 HydrophobicContact CG-CD2 4.43Å; K131-Y134 HydrophobicContact CG-CE2 3.8Å; K131-Y134 VanDerWaalsContact O-CB 3.28Å; K131-Y134 WeakPolarHBondContact O-CB 3.41Å; K131-Y134 WeakPolarHBondContact O-CD2 3.45Å; K131-Y134 PolarHBondContact O-N 3.21Å; D132-Y134 PolarHBondContact O-N 3.42Å; D132-Y134 VanDerWaalsContact O-N 3.16Å; Y134-K136 PolarHBondContact O-N 3.43Å; Y134-Y137 PolarHBondContact O-N 3.02Å
135A90.4Very high91.4Very high32 Ų3260.9 Ų60.926%0.26432%0.32SS..G310 helixtrans-60.7-31-178.700000112.9F130 D132 D133 Y137 I138F130-A135 HydrophobicContact CZ-CB 4.28Å; D132-A135 WeakPolarHBondContact O-CB 3.49Å; D132-A135 PolarHBondContact O-N 3.16Å; D133-A135 PolarHBondContact O-N 3.46Å; A135-Y137 PolarHBondContact O-N 3.19Å; A135-I138 HydrophobicContact CB-CD1 4.49Å; A135-I138 WeakPolarHBondContact O-CB 3.39Å; A135-I138 PolarHBondContact O-N 3.01Å
136K89.7Confident91.8Very high136 Ų13658.9 Ų58.959%0.59131%0.31SS*.G310 helixtrans-69.6-15176.977.8-165.3-179.51750114D133 Y134D133-K136 WeakPolarHBondContact O-CG 3.2Å; Y134-K136 PolarHBondContact O-N 3.43Å
137Y90.9Very high92.4Very high31 Ų3155.6 Ų55.612%0.12230%0.295CS..G310 helixtrans-99-1.2179.3-60.7-48.3000113.6K27 E83 N94 Y134 A135K27-Y137 WeakPolarHBondContact CB-O 3.37Å; K27-Y137 HydrophobicContact CD-CD1 3.91Å; K27-Y137 HydrophobicContact CD-CG 4.49Å; E83-Y137 VanDerWaalsContact OE2-CE1 3.28Å; E83-Y137 WeakPolarHBondContact OE2-CE1 3.17Å; E83-Y137 PolarHBondContact OE2-OH 3.04Å; N94-Y137 PolarHBondContact ND2-O 3.16Å; Y134-Y137 PolarHBondContact O-N 3.02Å; A135-Y137 PolarHBondContact O-N 3.19Å
138I93.5Very high92.8Very high18 Ų1851.4 Ų51.49%0.09226%0.264CS..SBendtrans-70.8134.3173.1-61.1176.2000108.6I90 L97 A115 R116 V119 F130 A135 N140I90-I138 HydrophobicContact CD1-CG1 3.86Å; L97-I138 HydrophobicContact CD1-CG2 3.69Å; A115-I138 HydrophobicContact CB-CG2 3.9Å; R116-I138 HydrophobicContact CB-CD1 4.18Å; R116-I138 HydrophobicContact CG-CD1 4.37Å; V119-I138 HydrophobicContact CB-CD1 4.21Å; V119-I138 HydrophobicContact CG1-CD1 4.38Å; V119-I138 HydrophobicContact CG1-CG1 4.5Å; V119-I138 HydrophobicContact CG2-CD1 4.07Å; V119-I138 HydrophobicContact CG2-CG1 4.13Å; V119-I138 HydrophobicContact CG2-CG2 4.35Å; F130-I138 HydrophobicContact CZ-CD1 4.44Å; A135-I138 HydrophobicContact CB-CD1 4.49Å; A135-I138 WeakPolarHBondContact O-CB 3.39Å; A135-I138 PolarHBondContact O-N 3.01Å; I138-N140 PolarHBondContact O-N 3.17Å; I138-N140 VanDerWaalsContact O-N 3.15Å
139M94.3Very high93.2Very high1 Ų151.7 Ų51.71%0.00526%0.263CS..PPolyproline II helixtrans-46.1121.2172.7175.2176.957.600110.6N94 L97 M98 L101 Y111 W143 A144 V147N94-M139 PolarHBondContact OD1-N 3.35Å; L97-M139 HydrophobicContact CB-CE 3.92Å; M98-M139 HydrophobicContact CB-CE 4.49Å; L101-M139 HydrophobicContact CD1-CE 3.59Å; Y111-M139 WeakPolarHBondContact CE1-O 3.47Å; Y111-M139 PolarHBondContact OH-O 3.26Å; M139-W143 HydrophobicContact CG-CB 3.58Å; M139-W143 HydrophobicContact CG-CG 4.47Å; M139-W143 HydrophobicContact SD-CB 4.01Å; M139-A144 HydrophobicContact CE-CB 4.26Å; M139-V147 HydrophobicContact SD-CG2 4.36Å
140N94.6Very high93.5Very high50 Ų5044.7 Ų44.727%0.26723%0.23SC..PPolyproline II helixtrans-75.2169.1-17469.251.4000113G28 I138 T142 W143 A144G28-N140 PolarHBondContact O-ND2 3.38Å; I138-N140 PolarHBondContact O-N 3.17Å; I138-N140 VanDerWaalsContact O-N 3.15Å; N140-T142 PolarHBondContact O-N 3.13Å; N140-T142 WeakPolarHBondContact OD1-CB 3.12Å; N140-T142 PolarHBondContact OD1-N 3.38Å; N140-W143 PolarHBondContact O-N 3.32Å; N140-W143 PolarHBondContact OD1-N 2.78Å; N140-A144 WeakPolarHBondContact O-CB 3.36Å; N140-A144 PolarHBondContact O-N 3.36Å
141V95.7Very high93.7Very high32 Ų3243.6 Ų43.619%0.19423%0.225CC..Hα-helixtrans-60.7-29.6-175.768.30000113.7V106 Q108 Y111 T145V106-V141 HydrophobicContact CG1-CG2 4.07Å; Q108-V141 HydrophobicContact CB-CG2 4.46Å; Q108-V141 HydrophobicContact CG-CG2 4.33Å; Y111-V141 HydrophobicContact CD1-CB 3.74Å; Y111-V141 HydrophobicContact CD1-CG2 4.05Å; Y111-V141 HydrophobicContact CE1-CB 4.42Å; Y111-V141 HydrophobicContact CG-CB 4.34Å; Y111-V141 HydrophobicContact CG-CG2 4.14Å; V141-T145 VanDerWaalsContact O-CB 3.29Å; V141-T145 WeakPolarHBondContact O-CB 3.45Å; V141-T145 PolarHBondContact O-N 2.63Å; V141-T145 PolarHBondContact O-OG1 3.05Å
142T96Very high93.8Very high63 Ų6345.3 Ų45.339%0.38723%0.229SC..Hα-helixtrans-71.8-47.3-179.7-50.70000110.9W30 N140 T145 N146W30-T142 HydrophobicContact CB-CG2 3.61Å; W30-T142 HydrophobicContact CD2-CG2 4.05Å; W30-T142 HydrophobicContact CG-CG2 3.57Å; N140-T142 PolarHBondContact O-N 3.13Å; N140-T142 WeakPolarHBondContact OD1-CB 3.12Å; N140-T142 PolarHBondContact OD1-N 3.38Å; T142-T145 PolarHBondContact O-N 3.49Å; T142-N146 PolarHBondContact O-N 2.91Å; T142-N146 PolarHBondContact O-ND2 3Å
143W96.9Very high93.9Very high0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-59.8-48.7172.1-75.2109.8000111.4C25 I26 G28 W30 S36 I39 L40 H80 M139 N140 T145 N146 V147C25-W143 WeakPolarHBondContact O-CZ2 3.44Å; C25-W143 PolarHBondContact O-NE1 3.19Å; I26-W143 HydrophobicContact CB-CD2 4.37Å; I26-W143 HydrophobicContact CB-CE3 4.47Å; I26-W143 HydrophobicContact CG2-CD2 4.39Å; I26-W143 HydrophobicContact CG2-CE3 4.01Å; I26-W143 HydrophobicContact CG2-CZ3 4.08Å; G28-W143 PolarHBondContact O-NE1 3.32Å; W30-W143 AromaticContact CE3-CD2 3.71Å; W30-W143 HydrophobicContact CE3-CD2 3.71Å; W30-W143 AromaticContact CE3-CE3 3.51Å; W30-W143 HydrophobicContact CE3-CE3 3.51Å; W30-W143 HydrophobicContact CE3-CG 4.32Å; W30-W143 HydrophobicContact CE3-CH2 4.28Å; W30-W143 HydrophobicContact CE3-CZ2 4.44Å; W30-W143 AromaticContact CE3-CZ3 3.82Å; W30-W143 HydrophobicContact CE3-CZ3 3.82Å; W30-W143 HydrophobicContact CZ3-CD2 4.24Å; W30-W143 AromaticContact CZ3-CE3 3.58Å; W30-W143 HydrophobicContact CZ3-CE3 3.58Å; W30-W143 AromaticContact CZ3-CZ3 3.76Å; W30-W143 HydrophobicContact CZ3-CZ3 3.76Å; S36-W143 WeakPolarHBondContact O-CZ3 3.24Å; I39-W143 HydrophobicContact CB-CH2 4.42Å; I39-W143 HydrophobicContact CB-CZ3 4.47Å; I39-W143 HydrophobicContact CD1-CH2 4.25Å; I39-W143 HydrophobicContact CG2-CH2 4.07Å; I39-W143 HydrophobicContact CG2-CZ3 4.09Å; L40-W143 HydrophobicContact CD1-CE3 4.17Å; L40-W143 HydrophobicContact CD1-CZ3 4.47Å; L40-W143 HydrophobicContact CD2-CE3 3.82Å; L40-W143 HydrophobicContact CD2-CZ3 4.04Å; L40-W143 HydrophobicContact CG-CE3 3.96Å; L40-W143 HydrophobicContact CG-CZ3 3.93Å; H80-W143 AromaticContact CE1-CH2 3.9Å; H80-W143 AromaticContact CE1-CZ2 3.94Å; H80-W143 AromaticContact ND1-CH2 3.94Å; H80-W143 AromaticContact ND1-CZ2 3.53Å; M139-W143 HydrophobicContact CG-CB 3.58Å; M139-W143 HydrophobicContact CG-CG 4.47Å; M139-W143 HydrophobicContact SD-CB 4.01Å; N140-W143 PolarHBondContact O-N 3.32Å; N140-W143 PolarHBondContact OD1-N 2.78Å; W143-T145 VanDerWaalsContact C-N 3.3Å; W143-T145 PolarHBondContact O-N 2.83Å; W143-N146 PolarHBondContact O-N 3.27Å; W143-N146 VanDerWaalsContact O-N 3.1Å; W143-V147 WeakPolarHBondContact O-CG2 3.32Å; W143-V147 PolarHBondContact O-N 3.49Å
144A96.8Very high94.2Very high0 Ų041.4 Ų41.40%020%0.199CC..Hα-helixtrans-58.8-39.8179.100000113L101 V106 Y111 M139 N140 V147 N148L101-A144 HydrophobicContact CD1-CB 3.68Å; V106-A144 HydrophobicContact CG1-CB 4.44Å; V106-A144 HydrophobicContact CG2-CB 4.11Å; Y111-A144 HydrophobicContact CD2-CB 3.98Å; Y111-A144 HydrophobicContact CE1-CB 3.96Å; Y111-A144 HydrophobicContact CE2-CB 3.35Å; M139-A144 HydrophobicContact CE-CB 4.26Å; N140-A144 WeakPolarHBondContact O-CB 3.36Å; N140-A144 PolarHBondContact O-N 3.36Å; A144-V147 PolarHBondContact O-N 2.73Å; A144-N148 WeakPolarHBondContact O-CB 3.49Å; A144-N148 PolarHBondContact O-N 2.75Å
145T96.5Very high94.4Very high55 Ų5541.1 Ų41.134%0.33720%0.202SC..Hα-helixtrans-62.7-43.2176.2-60.40000110.9V106 V141 T142 W143 N148 L149V106-T145 WeakPolarHBondContact CG1-OG1 3.41Å; V141-T145 VanDerWaalsContact O-CB 3.29Å; V141-T145 WeakPolarHBondContact O-CB 3.45Å; V141-T145 PolarHBondContact O-N 2.63Å; V141-T145 PolarHBondContact O-OG1 3.05Å; T142-T145 PolarHBondContact O-N 3.49Å; W143-T145 VanDerWaalsContact C-N 3.3Å; W143-T145 PolarHBondContact O-N 2.83Å; T145-N148 WeakPolarHBondContact O-CB 3.4Å; T145-N148 PolarHBondContact O-N 2.91Å; T145-L149 HydrophobicContact CG2-CD1 4.39Å; T145-L149 WeakPolarHBondContact O-CG 3.31Å; T145-L149 PolarHBondContact O-N 3.02Å
146N95.8Very high94.6Very high23 Ų2341.5 Ų41.512%0.12320%0.201CC..Hα-helixtrans-69.5-38.7178.5-75-79.8000112.8W30 L40 T142 W143 N148 L149 I150W30-N146 HydrophobicContact CE3-CB 4.36Å; W30-N146 HydrophobicContact CH2-CB 3.41Å; W30-N146 VanDerWaalsContact CH2-CB 3.41Å; W30-N146 WeakPolarHBondContact CH2-ND2 3.49Å; W30-N146 WeakPolarHBondContact CH2-OD1 3.34Å; W30-N146 HydrophobicContact CZ2-CB 4.26Å; W30-N146 VanDerWaalsContact CZ2-CG 3.47Å; W30-N146 WeakPolarHBondContact CZ2-OD1 3.4Å; W30-N146 HydrophobicContact CZ3-CB 3.48Å; W30-N146 VanDerWaalsContact CZ3-CB 3.48Å; L40-N146 HydrophobicContact CD1-CB 3.91Å; T142-N146 PolarHBondContact O-N 2.91Å; T142-N146 PolarHBondContact O-ND2 3Å; W143-N146 PolarHBondContact O-N 3.27Å; W143-N146 VanDerWaalsContact O-N 3.1Å; N146-N148 VanDerWaalsContact C-N 3.29Å; N146-N148 PolarHBondContact O-N 3.44Å; N146-L149 PolarHBondContact O-N 3.17Å; N146-L149 VanDerWaalsContact O-N 3.16Å; N146-I150 WeakPolarHBondContact O-CG1 2.93Å; N146-I150 PolarHBondContact O-N 3.42Å
147V96.4Very high94.9Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-56-45.4168.6172.30000110.8L40 M98 L101 M139 W143 A144 L149 I150 Y151L40-V147 HydrophobicContact CD1-CG2 3.74Å; L40-V147 HydrophobicContact CD2-CG2 3.67Å; L40-V147 HydrophobicContact CG-CG2 4.33Å; M98-V147 HydrophobicContact CG-CG1 3.74Å; M98-V147 HydrophobicContact CG-CG2 3.9Å; M98-V147 HydrophobicContact SD-CG2 4.29Å; L101-V147 HydrophobicContact CB-CG1 3.89Å; L101-V147 HydrophobicContact CD1-CB 3.96Å; L101-V147 HydrophobicContact CD1-CG1 3.83Å; M139-V147 HydrophobicContact SD-CG2 4.36Å; W143-V147 WeakPolarHBondContact O-CG2 3.32Å; W143-V147 PolarHBondContact O-N 3.49Å; A144-V147 PolarHBondContact O-N 2.73Å; V147-L149 VanDerWaalsContact C-N 3.34Å; V147-L149 PolarHBondContact O-N 3.34Å; V147-I150 PolarHBondContact O-N 2.98Å; V147-Y151 HydrophobicContact CG1-CD2 3.89Å; V147-Y151 HydrophobicContact CG1-CE2 3.38Å; V147-Y151 PolarHBondContact O-N 3.29Å
148N95.1Very high95.1Very high32 Ų3233.7 Ų33.717%0.17117%0.168CC..Hα-helixtrans-65.6-34.2178.1-171.6-107.3000112.8K104 V106 A144 T145 N146 R152K104-N148 PolarHBondContact O-ND2 2.83Å; V106-N148 HydrophobicContact CB-CB 4.46Å; V106-N148 HydrophobicContact CG2-CB 3.85Å; A144-N148 WeakPolarHBondContact O-CB 3.49Å; A144-N148 PolarHBondContact O-N 2.75Å; T145-N148 WeakPolarHBondContact O-CB 3.4Å; T145-N148 PolarHBondContact O-N 2.91Å; N146-N148 VanDerWaalsContact C-N 3.29Å; N146-N148 PolarHBondContact O-N 3.44Å; N148-R152 VanDerWaalsContact O-CB 3.25Å; N148-R152 WeakPolarHBondContact O-CB 3.41Å; N148-R152 PolarHBondContact O-N 3.25Å
149L94.7Very high95.2Very high63 Ų6335.5 Ų35.533%0.3318%0.177SC..Hα-helixtrans-67.8-42.4173.4-67.8170.4000111.8T145 N146 V147 Y151 R152 Y153T145-L149 HydrophobicContact CG2-CD1 4.39Å; T145-L149 WeakPolarHBondContact O-CG 3.31Å; T145-L149 PolarHBondContact O-N 3.02Å; N146-L149 PolarHBondContact O-N 3.17Å; N146-L149 VanDerWaalsContact O-N 3.16Å; V147-L149 VanDerWaalsContact C-N 3.34Å; V147-L149 PolarHBondContact O-N 3.34Å; L149-Y151 PolarHBondContact O-N 3.44Å; L149-R152 PolarHBondContact O-N 3.44Å; L149-Y153 HydrophobicContact CB-CD2 4.47Å; L149-Y153 HydrophobicContact CB-CE2 4.42Å; L149-Y153 HydrophobicContact CD2-CE2 3.9Å; L149-Y153 WeakPolarHBondContact O-CD2 3.42Å; L149-Y153 PolarHBondContact O-N 3.29Å
150I95.7Very high95.2Very high2 Ų237.6 Ų37.61%0.0119%0.188CC..Hα-helixtrans-56.3-52.9174.2-70.9167.8000109.9L40 L41 I44 L59 N146 V147 R152 Y153 S154 A157L40-I150 HydrophobicContact CB-CD1 3.57Å; L40-I150 HydrophobicContact CD1-CD1 3.76Å; L40-I150 HydrophobicContact CG-CD1 4.33Å; L41-I150 HydrophobicContact CD2-CD1 4.01Å; L41-I150 HydrophobicContact CD2-CG1 4.32Å; L41-I150 HydrophobicContact CD2-CG2 4.11Å; L41-I150 HydrophobicContact CG-CD1 4.44Å; I44-I150 HydrophobicContact CD1-CD1 4.49Å; I44-I150 HydrophobicContact CD1-CG2 3.91Å; L59-I150 HydrophobicContact CD1-CG1 4.08Å; L59-I150 HydrophobicContact CD1-CG2 4.21Å; N146-I150 WeakPolarHBondContact O-CG1 2.93Å; N146-I150 PolarHBondContact O-N 3.42Å; V147-I150 PolarHBondContact O-N 2.98Å; I150-R152 VanDerWaalsContact C-N 3.34Å; I150-R152 PolarHBondContact O-N 2.91Å; I150-Y153 PolarHBondContact O-N 3.45Å; I150-S154 VanDerWaalsContact O-CB 3.32Å; I150-S154 WeakPolarHBondContact O-CB 3.07Å; I150-S154 PolarHBondContact O-N 3.31Å; I150-A157 HydrophobicContact CG2-CB 4.25Å
151Y95.5Very high95.1Very high4 Ų435.3 Ų35.32%0.01618%0.176CC..Hα-helixtrans-64.9-36.4177.7-62.9-32000112.7I44 M98 L101 L102 V147 L149 Y153 S154 A157 R158 V161I44-Y151 HydrophobicContact CD1-CE1 3.98Å; M98-Y151 WeakPolarHBondContact O-CE2 3.34Å; M98-Y151 PolarHBondContact O-OH 2.85Å; L101-Y151 HydrophobicContact CB-CD2 4.49Å; L101-Y151 HydrophobicContact CB-CE2 4.28Å; L102-Y151 HydrophobicContact CB-CD2 4.22Å; L102-Y151 HydrophobicContact CB-CE2 4.21Å; L102-Y151 HydrophobicContact CD1-CG 4.32Å; V147-Y151 HydrophobicContact CG1-CD2 3.89Å; V147-Y151 HydrophobicContact CG1-CE2 3.38Å; V147-Y151 PolarHBondContact O-N 3.29Å; L149-Y151 PolarHBondContact O-N 3.44Å; Y151-Y153 VanDerWaalsContact C-N 3.34Å; Y151-Y153 PolarHBondContact O-N 3.29Å; Y151-S154 VanDerWaalsContact O-O 3.12Å; Y151-A157 HydrophobicContact CD1-CB 4.1Å; Y151-A157 HydrophobicContact CE1-CB 4.38Å; Y151-R158 HydrophobicContact CD1-CG 4.37Å; Y151-R158 HydrophobicContact CG-CG 4.45Å; Y151-R158 WeakPolarHBondContact O-CD 3.48Å; Y151-R158 WeakPolarHBondContact O-CG 3.38Å; Y151-R158 PolarHBondContact O-NE 2.93Å; Y151-V161 HydrophobicContact CE1-CG2 3.83Å
152R92.5Very high95.1Very high143 Ų14333.8 Ų33.854%0.5417%0.167SC..Hα-helixtrans-58-47.8177.2179.7176.8-178.1161.11.5111.7N148 L149 I150N148-R152 VanDerWaalsContact O-CB 3.25Å; N148-R152 WeakPolarHBondContact O-CB 3.41Å; N148-R152 PolarHBondContact O-N 3.25Å; L149-R152 PolarHBondContact O-N 3.44Å; I150-R152 VanDerWaalsContact C-N 3.34Å; I150-R152 PolarHBondContact O-N 2.91Å
153Y93.3Very high94.9Very high134 Ų13432.1 Ų32.153%0.52516%0.155SC..Hα-helixtrans-93.1-20.4-170.9-64-57.6000114.5L149 I150 Y151L149-Y153 HydrophobicContact CB-CD2 4.47Å; L149-Y153 HydrophobicContact CB-CE2 4.42Å; L149-Y153 HydrophobicContact CD2-CE2 3.9Å; L149-Y153 WeakPolarHBondContact O-CD2 3.42Å; L149-Y153 PolarHBondContact O-N 3.29Å; I150-Y153 PolarHBondContact O-N 3.45Å; Y151-Y153 VanDerWaalsContact C-N 3.34Å; Y151-Y153 PolarHBondContact O-N 3.29Å
154S95.1Very high94.6Very high0 Ų035 Ų350%017%0.168CC..  trans-102.6122.6175.7177.30000111.8L55 E58 I150 Y151 T156 A157 R158L55-S154 WeakPolarHBondContact CD2-OG 3.47Å; E58-S154 WeakPolarHBondContact OE2-CA 3.47Å; E58-S154 WeakPolarHBondContact OE2-CB 3.27Å; E58-S154 PolarHBondContact OE2-OG 3.22Å; I150-S154 VanDerWaalsContact O-CB 3.32Å; I150-S154 WeakPolarHBondContact O-CB 3.07Å; I150-S154 PolarHBondContact O-N 3.31Å; Y151-S154 VanDerWaalsContact O-O 3.12Å; S154-T156 PolarHBondContact OG-N 2.83Å; S154-A157 WeakPolarHBondContact OG-CB 3.21Å; S154-A157 PolarHBondContact OG-N 3.47Å; S154-R158 VanDerWaalsContact O-CG 3.31Å; S154-R158 WeakPolarHBondContact O-CG 3.5Å; S154-R158 PolarHBondContact O-NE 3.12Å
155V93.9Very high94.3Very high45 Ų4535.1 Ų35.127%0.27317%0.169SC..Hα-helixtrans-78.3-38.5168.8-177.50000109.3E58 A157 R158 I159E58-V155 PolarHBondContact OE2-N 2.87Å; V155-A157 PolarHBondContact O-N 3.28Å; V155-R158 WeakPolarHBondContact O-CB 3.4Å; V155-R158 PolarHBondContact O-N 2.88Å; V155-R158 VanDerWaalsContact O-N 3.09Å; V155-I159 HydrophobicContact CG1-CD1 3.8Å; V155-I159 HydrophobicContact CG1-CG1 4.27Å; V155-I159 PolarHBondContact O-N 3.35Å
156T95.1Very high93.9Very high39 Ų3934.2 Ų34.224%0.23916%0.162CC..Hα-helixtrans-61.7-42.1-179.2-66.30000112.4L55 E58 S154 R158 I159 N160L55-T156 HydrophobicContact CD2-CG2 3.91Å; E58-T156 WeakPolarHBondContact OE1-CB 3.49Å; E58-T156 PolarHBondContact OE1-OG1 2.85Å; E58-T156 PolarHBondContact OE2-N 3.5Å; S154-T156 PolarHBondContact OG-N 2.83Å; T156-R158 VanDerWaalsContact C-N 3.32Å; T156-R158 PolarHBondContact O-N 3.43Å; T156-I159 PolarHBondContact O-N 2.78Å; T156-N160 WeakPolarHBondContact CG2-ND2 3.26Å; T156-N160 PolarHBondContact O-N 3.39Å; T156-N160 PolarHBondContact O-ND2 3.02Å
157A95.8Very high93.5Very high0 Ų040 Ų400%019%0.186CC..Hα-helixtrans-60.9-41.4173.700000111.8L55 I150 Y151 S154 V155 V161L55-A157 HydrophobicContact CD1-CB 4.21Å; L55-A157 HydrophobicContact CD2-CB 3.88Å; I150-A157 HydrophobicContact CG2-CB 4.25Å; Y151-A157 HydrophobicContact CD1-CB 4.1Å; Y151-A157 HydrophobicContact CE1-CB 4.38Å; S154-A157 WeakPolarHBondContact OG-CB 3.21Å; S154-A157 PolarHBondContact OG-N 3.47Å; V155-A157 PolarHBondContact O-N 3.28Å; A157-V161 WeakPolarHBondContact O-CB 3.49Å; A157-V161 WeakPolarHBondContact O-CG2 3.34Å; A157-V161 PolarHBondContact O-N 3.35Å
158R95.2Very high92.6Very high3 Ų340.9 Ų40.91%0.01119%0.192CC..Hα-helixtrans-66.4-39.7-179.9-67-172.7-81.5146.8-18.8112.4L102 Y151 S154 V155 T156 L162 L242 A244L102-R158 HydrophobicContact CD1-CB 3.63Å; L102-R158 HydrophobicContact CD1-CG 3.43Å; L102-R158 VanDerWaalsContact CD1-CG 3.43Å; Y151-R158 HydrophobicContact CD1-CG 4.37Å; Y151-R158 HydrophobicContact CG-CG 4.45Å; Y151-R158 WeakPolarHBondContact O-CD 3.48Å; Y151-R158 WeakPolarHBondContact O-CG 3.38Å; Y151-R158 PolarHBondContact O-NE 2.93Å; S154-R158 VanDerWaalsContact O-CG 3.31Å; S154-R158 WeakPolarHBondContact O-CG 3.5Å; S154-R158 PolarHBondContact O-NE 3.12Å; V155-R158 WeakPolarHBondContact O-CB 3.4Å; V155-R158 PolarHBondContact O-N 2.88Å; V155-R158 VanDerWaalsContact O-N 3.09Å; T156-R158 VanDerWaalsContact C-N 3.32Å; T156-R158 PolarHBondContact O-N 3.43Å; R158-L162 WeakPolarHBondContact O-CB 3.27Å; R158-L162 PolarHBondContact O-N 3.18Å; R158-L162 VanDerWaalsContact O-N 3.13Å; R158-L242 WeakPolarHBondContact CD-O 3.25Å; R158-L242 PolarHBondContact NH1-O 3.41Å; R158-A244 PolarHBondContact NH1-O 3.22Å
159I94.5Very high91Very high56 Ų5641 Ų4129%0.28720%0.196SC..Hα-helixtrans-67.1-50.8176.3-68.6171.9000110.8V155 T156 V161 L162 D163 I243V155-I159 HydrophobicContact CG1-CD1 3.8Å; V155-I159 HydrophobicContact CG1-CG1 4.27Å; V155-I159 PolarHBondContact O-N 3.35Å; T156-I159 PolarHBondContact O-N 2.78Å; I159-V161 PolarHBondContact O-N 2.69Å; I159-L162 PolarHBondContact O-N 2.85Å; I159-D163 WeakPolarHBondContact O-CB 3.42Å; I159-D163 PolarHBondContact O-N 3.12Å; I159-I243 HydrophobicContact CB-CG2 4.41Å; I159-I243 HydrophobicContact CG1-CB 3.95Å; I159-I243 HydrophobicContact CG1-CG2 3.7Å
160N93.8Very high89.4Confident46 Ų4645.1 Ų45.125%0.24622%0.218CC..Hα-helixtrans-64.8-40.7-177.5-74.9-72.8000112.4C48 F50 T156 D163 F164C48-N160 HydrophobicContact CB-CB 4.36Å; F50-N160 HydrophobicContact CD1-CB 3.9Å; F50-N160 HydrophobicContact CE1-CB 3.77Å; F50-N160 HydrophobicContact CE2-CB 4.49Å; F50-N160 HydrophobicContact CG-CB 4.31Å; F50-N160 HydrophobicContact CZ-CB 4.08Å; T156-N160 WeakPolarHBondContact CG2-ND2 3.26Å; T156-N160 PolarHBondContact O-N 3.39Å; T156-N160 PolarHBondContact O-ND2 3.02Å; N160-D163 PolarHBondContact O-N 2.98Å; N160-F164 WeakPolarHBondContact O-CB 3.4Å; N160-F164 PolarHBondContact O-N 2.48Å
161V94.1Very high87.5Confident1 Ų149.3 Ų49.31%0.00625%0.248CC..Hα-helixtrans-63.1-42.6174.6170.80000111.7I44 L99 L102 Y151 A157 I159 I165I44-V161 HydrophobicContact CG2-CG2 4.17Å; L99-V161 HydrophobicContact CD2-CG1 3.71Å; L102-V161 HydrophobicContact CD2-CB 4.43Å; L102-V161 HydrophobicContact CD2-CG1 3.92Å; Y151-V161 HydrophobicContact CE1-CG2 3.83Å; A157-V161 WeakPolarHBondContact O-CB 3.49Å; A157-V161 WeakPolarHBondContact O-CG2 3.34Å; A157-V161 PolarHBondContact O-N 3.35Å; I159-V161 PolarHBondContact O-N 2.69Å; V161-I165 HydrophobicContact CG1-CD1 3.95Å; V161-I165 WeakPolarHBondContact O-CD1 3.41Å; V161-I165 VanDerWaalsContact O-CG1 3.24Å; V161-I165 WeakPolarHBondContact O-CG1 3.16Å; V161-I165 PolarHBondContact O-N 3.3Å; V161-I165 VanDerWaalsContact O-N 3.08Å
162L93.9Very high85.4Confident0 Ų054.3 Ų54.30%027%0.272CS..Hα-helixtrans-62.8-47.3175.4177.564.6000111.2L102 R158 I159 F164 I165 L166 F239 I243L102-L162 HydrophobicContact CD2-CB 4.37Å; R158-L162 WeakPolarHBondContact O-CB 3.27Å; R158-L162 PolarHBondContact O-N 3.18Å; R158-L162 VanDerWaalsContact O-N 3.13Å; I159-L162 PolarHBondContact O-N 2.85Å; L162-F164 VanDerWaalsContact C-N 3.32Å; L162-F164 PolarHBondContact O-N 2.93Å; L162-I165 PolarHBondContact O-N 3.12Å; L162-L166 HydrophobicContact CD1-CD1 4.02Å; L162-L166 HydrophobicContact CD1-CG 4.05Å; L162-L166 HydrophobicContact CD2-CD1 4.4Å; L162-L166 HydrophobicContact CG-CD1 3.88Å; L162-L166 HydrophobicContact CG-CG 4.28Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 2.88Å; L162-F239 HydrophobicContact CD1-CB 3.85Å; L162-F239 HydrophobicContact CD1-CD1 3.77Å; L162-F239 HydrophobicContact CD1-CD2 4.09Å; L162-F239 HydrophobicContact CD1-CE1 4.34Å; L162-F239 HydrophobicContact CD1-CG 3.62Å; L162-F239 HydrophobicContact CD2-CB 3.53Å; L162-F239 HydrophobicContact CD2-CD2 4.5Å; L162-F239 HydrophobicContact CD2-CG 4.12Å; L162-F239 HydrophobicContact CG-CB 4.36Å; L162-I243 HydrophobicContact CB-CG2 4.31Å; L162-I243 HydrophobicContact CD2-CD1 4.22Å; L162-I243 HydrophobicContact CD2-CG1 4.44Å; L162-I243 HydrophobicContact CD2-CG2 3.63Å
163D92.1Very high83.6Confident28 Ų2853.4 Ų53.415%0.1528%0.283CS..Hα-helixtrans-64.2-36.9-178.4-83.435000112I159 N160 L166 K167 K236I159-D163 WeakPolarHBondContact O-CB 3.42Å; I159-D163 PolarHBondContact O-N 3.12Å; N160-D163 PolarHBondContact O-N 2.98Å; D163-L166 PolarHBondContact O-N 2.96Å; D163-K167 VanDerWaalsContact O-CB 3.32Å; D163-K167 WeakPolarHBondContact O-CB 3.48Å; D163-K167 WeakPolarHBondContact O-CD 3.32Å; D163-K167 WeakPolarHBondContact O-CG 3.34Å; D163-K167 PolarHBondContact O-N 3.19Å; D163-K167 IonicContact OD2-NZ 2.69Å; D163-K236 WeakPolarHBondContact OD1-CE 3.46Å; D163-K236 IonicContact OD1-NZ 2.69Å; D163-K236 PolarHBondContact OD1-NZ 2.8Å; D163-K236 IonicContact OD2-NZ 3.82Å; D163-K236 PolarHBondContact OD2-NZ 3.49Å
164F91.1Very high81.8Confident62 Ų6251.5 Ų51.527%0.27228%0.275SS..Hα-helixtrans-59.2-52.8170168.3-107.9000111.7L47 C48 L99 N160 L162 L166 K167 S168L47-F164 WeakPolarHBondContact O-CD2 3.41Å; L47-F164 WeakPolarHBondContact O-CE2 3.49Å; L47-F164 WeakPolarHBondContact O-CZ 3.48Å; C48-F164 HydrophobicContact CB-CB 4.01Å; C48-F164 HydrophobicContact CB-CG 4.48Å; L99-F164 HydrophobicContact CD1-CE1 4.01Å; L99-F164 HydrophobicContact CD2-CD1 4.11Å; L99-F164 HydrophobicContact CD2-CE1 4.24Å; N160-F164 WeakPolarHBondContact O-CB 3.4Å; N160-F164 PolarHBondContact O-N 2.48Å; L162-F164 VanDerWaalsContact C-N 3.32Å; L162-F164 PolarHBondContact O-N 2.93Å; F164-L166 VanDerWaalsContact C-N 3.29Å; F164-L166 PolarHBondContact O-N 2.95Å; F164-K167 PolarHBondContact O-N 3.25Å; F164-S168 VanDerWaalsContact O-CB 3.26Å; F164-S168 WeakPolarHBondContact O-CB 3.46Å; F164-S168 PolarHBondContact O-N 2.7Å; F164-S168 PolarHBondContact O-OG 2.74Å
165I90.7Very high80.5Confident1 Ų152.6 Ų52.61%0.00528%0.282CS..Hα-helixtrans-56.9-45.2178.6-66.1165.3000110.4L99 V161 L162 S168 R179 L182 L186L99-I165 HydrophobicContact CB-CD1 4.05Å; L99-I165 HydrophobicContact CD1-CG1 4.41Å; L99-I165 HydrophobicContact CD2-CD1 4.4Å; L99-I165 HydrophobicContact CD2-CG1 4.38Å; V161-I165 HydrophobicContact CG1-CD1 3.95Å; V161-I165 WeakPolarHBondContact O-CD1 3.41Å; V161-I165 VanDerWaalsContact O-CG1 3.24Å; V161-I165 WeakPolarHBondContact O-CG1 3.16Å; V161-I165 PolarHBondContact O-N 3.3Å; V161-I165 VanDerWaalsContact O-N 3.08Å; L162-I165 PolarHBondContact O-N 3.12Å; I165-S168 PolarHBondContact O-OG 3.13Å; I165-R179 WeakPolarHBondContact O-CD 3.2Å; I165-R179 WeakPolarHBondContact O-CG 3.43Å; I165-R179 PolarHBondContact O-NE 3.45Å; I165-L182 HydrophobicContact CG1-CD1 4.35Å; I165-L182 HydrophobicContact CG2-CB 3.96Å; I165-L182 HydrophobicContact CG2-CD1 4.39Å; I165-L186 HydrophobicContact CD1-CD1 3.55Å
166L88.9Confident79.8Confident37 Ų3757.1 Ų57.119%0.19430%0.298CS..Hα-helixtrans-66-37.9179.6-66.9178000113L162 D163 F164 R179 K236 F239L162-L166 HydrophobicContact CD1-CD1 4.02Å; L162-L166 HydrophobicContact CD1-CG 4.05Å; L162-L166 HydrophobicContact CD2-CD1 4.4Å; L162-L166 HydrophobicContact CG-CD1 3.88Å; L162-L166 HydrophobicContact CG-CG 4.28Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 2.88Å; D163-L166 PolarHBondContact O-N 2.96Å; F164-L166 VanDerWaalsContact C-N 3.29Å; F164-L166 PolarHBondContact O-N 2.95Å; L166-R179 PolarHBondContact O-NE 3.07Å; L166-R179 PolarHBondContact O-NH2 3.48Å; L166-K236 HydrophobicContact CD1-CG 4.44Å; L166-F239 HydrophobicContact CD1-CD2 4.49Å; L166-F239 HydrophobicContact CD2-CD2 4.49Å; L166-F239 HydrophobicContact CD2-CE2 3.78Å; L166-F239 HydrophobicContact CD2-CZ 4.02Å
167K85.8Confident79.2Confident143 Ų14359.8 Ų59.862%0.62231%0.311SS*.Hα-helixtrans-82.8-22.4-179.8-67.2167.6-170.6170.30114.4D163 F164 S169D163-K167 VanDerWaalsContact O-CB 3.32Å; D163-K167 WeakPolarHBondContact O-CB 3.48Å; D163-K167 WeakPolarHBondContact O-CD 3.32Å; D163-K167 WeakPolarHBondContact O-CG 3.34Å; D163-K167 PolarHBondContact O-N 3.19Å; D163-K167 IonicContact OD2-NZ 2.69Å; F164-K167 PolarHBondContact O-N 3.25Å; K167-S169 PolarHBondContact O-N 3.21Å
168S78.5Confident78.7Confident19 Ų1960.5 Ų60.513%0.13332%0.315CS..G310 helixtrans-63.10.8-172.565.10000117.3F164 I165 D170 R179F164-S168 VanDerWaalsContact O-CB 3.26Å; F164-S168 WeakPolarHBondContact O-CB 3.46Å; F164-S168 PolarHBondContact O-N 2.7Å; F164-S168 PolarHBondContact O-OG 2.74Å; I165-S168 PolarHBondContact O-OG 3.13Å; S168-D170 VanDerWaalsContact C-N 3.3Å; S168-D170 PolarHBondContact O-N 3.14Å; S168-R179 WeakPolarHBondContact OG-CD 3.02Å
169S61.8Low78.2Confident36 Ų3663.5 Ų63.525%0.25233%0.326SS..G310 helixtrans-67.2-28.4178.634.40000114.5K167 S171 R179K167-S169 PolarHBondContact O-N 3.21Å; S169-S171 VanDerWaalsContact C-N 3.31Å; S169-S171 PolarHBondContact O-N 3.43Å; S169-R179 VanDerWaalsContact CB-CZ 3.41Å; S169-R179 PolarHBondContact OG-NH2 3.29Å
170D59.9Low77.8Confident148 Ų14862.6 Ų62.679%0.79133%0.33SS*.G310 helixtrans-88.6-4.6-156-60.83.5000112.4S168S168-D170 VanDerWaalsContact C-N 3.3Å; S168-D170 PolarHBondContact O-N 3.14Å
171S57Low77.6Confident91 Ų9160.9 Ų60.964%0.63632%0.32SS*.THydrogen-bonded Turntrans-103.2-45.3-171.960.30000115.5S169S169-S171 VanDerWaalsContact C-N 3.31Å; S169-S171 PolarHBondContact O-N 3.43Å
172M50.4Low77.4Confident109 Ų10961.1 Ų61.154%0.53732%0.322SS..  trans-149.2148.7-176.7-68.4-164.4175.800114.8W174 C175 K176M172-W174 HydrophobicContact SD-CZ2 4.22Å; M172-W174 PolarHBondContact SD-NE1 3.02Å; M172-C175 WeakPolarHBondContact O-CB 3.45Å; M172-C175 PolarHBondContact O-N 3.12Å; M172-K176 PolarHBondContact O-N 3.09Å
173T54.1Low77.3Confident123 Ų12362 Ų6276%0.75533%0.327SS*.Hα-helixtrans-65.9-42-177.148.10000114C175 K176T173-C175 PolarHBondContact O-N 3.45Å; T173-K176 WeakPolarHBondContact O-CB 3.41Å; T173-K176 PolarHBondContact O-N 3.27Å
174W55.9Low77.1Confident94 Ų9462.1 Ų62.136%0.35633%0.327SS..Hα-helixtrans-65.9-28.517763.1-90.2000112.2Y92 M172 K176 I178Y92-W174 HydrophobicContact CD1-CE3 4.5Å; Y92-W174 AromaticContact CD1-CH2 3.62Å; Y92-W174 HydrophobicContact CD1-CH2 3.62Å; Y92-W174 AromaticContact CD1-CZ3 3.54Å; Y92-W174 HydrophobicContact CD1-CZ3 3.54Å; Y92-W174 AromaticContact CE1-CH2 3.46Å; Y92-W174 HydrophobicContact CE1-CH2 3.46Å; Y92-W174 VanDerWaalsContact CE1-CH2 3.46Å; Y92-W174 HydrophobicContact CE1-CZ2 4.09Å; Y92-W174 AromaticContact CE1-CZ3 3.82Å; Y92-W174 HydrophobicContact CE1-CZ3 3.82Å; Y92-W174 HydrophobicContact CG-CZ3 4.25Å; M172-W174 HydrophobicContact SD-CZ2 4.22Å; M172-W174 PolarHBondContact SD-NE1 3.02Å; W174-K176 PolarHBondContact O-N 3.04Å; W174-I178 HydrophobicContact CE3-CD1 3.91Å; W174-I178 HydrophobicContact CZ3-CD1 4.21Å; W174-I178 WeakPolarHBondContact O-CG1 3.21Å
175C68Low77.1Confident23 Ų2359.8 Ų59.816%0.15532%0.317CS..Hα-helixtrans-66.4-26169.7-59.80000112.1M172 T173 R179M172-C175 WeakPolarHBondContact O-CB 3.45Å; M172-C175 PolarHBondContact O-N 3.12Å; T173-C175 PolarHBondContact O-N 3.45Å; C175-R179 WeakPolarHBondContact O-CA 3.49Å; C175-R179 WeakPolarHBondContact O-CB 3.37Å; C175-R179 PolarHBondContact O-N 2.77Å
176K78.9Confident77.2Confident140 Ų14059.8 Ų59.861%0.60932%0.317SS*.Hα-helixtrans-67.7-46.5-175.6-169.6-173.8174.9-170.80112.5M172 T173 W174 R179 G180M172-K176 PolarHBondContact O-N 3.09Å; T173-K176 WeakPolarHBondContact O-CB 3.41Å; T173-K176 PolarHBondContact O-N 3.27Å; W174-K176 PolarHBondContact O-N 3.04Å; K176-R179 PolarHBondContact O-N 2.85Å; K176-G180 PolarHBondContact O-N 2.9Å
177D83.3Confident77.4Confident95 Ų9560.7 Ų60.751%0.50832%0.32SS..Hα-helixtrans-71.3-42.8-178.9-60.9-30.7000110.8R179 G180 Y181D177-R179 PolarHBondContact O-N 3.03Å; D177-G180 PolarHBondContact O-N 3.43Å; D177-Y181 PolarHBondContact O-N 3.27Å
178I84Confident77.8Confident16 Ų1654.4 Ų54.48%0.08229%0.293CS..Hα-helixtrans-58.2-49.2171.4-61.9178.3000109.9A96 L122 W174 G180 Y181 L182A96-I178 HydrophobicContact CB-CG2 4.37Å; L122-I178 HydrophobicContact CD2-CG1 4.37Å; L122-I178 HydrophobicContact CD2-CG2 4.33Å; W174-I178 HydrophobicContact CE3-CD1 3.91Å; W174-I178 HydrophobicContact CZ3-CD1 4.21Å; W174-I178 WeakPolarHBondContact O-CG1 3.21Å; I178-G180 VanDerWaalsContact C-N 3.33Å; I178-G180 PolarHBondContact O-N 3.35Å; I178-Y181 WeakPolarHBondContact O-CB 3.39Å; I178-Y181 PolarHBondContact O-N 2.84Å; I178-L182 HydrophobicContact CG2-CD1 3.93Å; I178-L182 HydrophobicContact CG2-CG 4.06Å; I178-L182 WeakPolarHBondContact O-CB 3.47Å; I178-L182 VanDerWaalsContact O-CG 3.26Å; I178-L182 WeakPolarHBondContact O-CG 3.24Å; I178-L182 PolarHBondContact O-N 3.37Å
179R85.1Confident78.4Confident65 Ų6553.7 Ų53.725%0.24529%0.288CS..Hα-helixtrans-58.8-42176.5174.3-179.2174.4-98.914.9111.9I165 L166 S168 S169 C175 K176 D177 Y181 L182 C183I165-R179 WeakPolarHBondContact O-CD 3.2Å; I165-R179 WeakPolarHBondContact O-CG 3.43Å; I165-R179 PolarHBondContact O-NE 3.45Å; L166-R179 PolarHBondContact O-NE 3.07Å; L166-R179 PolarHBondContact O-NH2 3.48Å; S168-R179 WeakPolarHBondContact OG-CD 3.02Å; S169-R179 VanDerWaalsContact CB-CZ 3.41Å; S169-R179 PolarHBondContact OG-NH2 3.29Å; C175-R179 WeakPolarHBondContact O-CA 3.49Å; C175-R179 WeakPolarHBondContact O-CB 3.37Å; C175-R179 PolarHBondContact O-N 2.77Å; K176-R179 PolarHBondContact O-N 2.85Å; D177-R179 PolarHBondContact O-N 3.03Å; R179-Y181 PolarHBondContact O-N 3.08Å; R179-L182 PolarHBondContact O-N 3.4Å; R179-C183 VanDerWaalsContact O-CB 3.26Å; R179-C183 WeakPolarHBondContact O-CB 3.4Å; R179-C183 PolarHBondContact O-N 3.18Å; R179-C183 PolarHBondContact O-SG 3.33Å
180G87.3Confident79.7Confident37 Ų3756 Ų5638%0.38129%0.291SS..Hα-helixtrans-54.8-52.7175.200000111K176 D177 I178 C183 E184K176-G180 PolarHBondContact O-N 2.9Å; D177-G180 PolarHBondContact O-N 3.43Å; I178-G180 VanDerWaalsContact C-N 3.33Å; I178-G180 PolarHBondContact O-N 3.35Å; G180-C183 PolarHBondContact O-N 3.3Å; G180-E184 WeakPolarHBondContact O-CB 3.4Å; G180-E184 PolarHBondContact O-N 2.92Å
181Y89Confident81.3Confident10 Ų1048.9 Ų48.94%0.03925%0.253CS..Hα-helixtrans-61.9-43175.8174.2-106.4000113.9I100 R118 L122 M125 D177 I178 R179 E184 F185 L444I100-Y181 HydrophobicContact CD1-CD1 4.42Å; I100-Y181 HydrophobicContact CD1-CE1 3.78Å; R118-Y181 WeakPolarHBondContact CD-OH 3.26Å; R118-Y181 PolarHBondContact NH1-OH 2.91Å; L122-Y181 HydrophobicContact CD2-CD1 3.81Å; L122-Y181 HydrophobicContact CD2-CE1 3.89Å; L122-Y181 HydrophobicContact CG-CE1 4.13Å; M125-Y181 HydrophobicContact CE-CD1 4.07Å; M125-Y181 HydrophobicContact CE-CD2 3.23Å; M125-Y181 HydrophobicContact CE-CE1 4.4Å; M125-Y181 HydrophobicContact CE-CE2 3.6Å; M125-Y181 HydrophobicContact CE-CG 3.44Å; M125-Y181 VanDerWaalsContact CE-CG 3.44Å; M125-Y181 HydrophobicContact SD-CG 4.17Å; D177-Y181 PolarHBondContact O-N 3.27Å; I178-Y181 WeakPolarHBondContact O-CB 3.39Å; I178-Y181 PolarHBondContact O-N 2.84Å; R179-Y181 PolarHBondContact O-N 3.08Å; Y181-E184 PolarHBondContact O-N 3.34Å; Y181-F185 VanDerWaalsContact O-CB 3.24Å; Y181-F185 WeakPolarHBondContact O-CB 3.44Å; Y181-F185 PolarHBondContact O-N 3.07Å; Y181-L444 HydrophobicContact CD2-CD1 4.36Å; Y181-L444 HydrophobicContact CD2-CD2 4.43Å; Y181-L444 HydrophobicContact CE2-CD1 4.05Å; Y181-L444 HydrophobicContact CE2-CD2 4.42Å
182L90.5Very high82.8Confident7 Ų746.5 Ų46.54%0.03723%0.231CC..Hα-helixtrans-60.2-50.2175.8-70.4178.9000110.8A96 L99 I100 I165 I178 R179 F185 L186A96-L182 HydrophobicContact CB-CD2 4.38Å; L99-L182 HydrophobicContact CB-CD1 4.5Å; L99-L182 HydrophobicContact CB-CD2 4.35Å; L99-L182 HydrophobicContact CD1-CD1 3.86Å; I100-L182 HydrophobicContact CD1-CD2 3.75Å; I100-L182 HydrophobicContact CG1-CD2 3.33Å; I165-L182 HydrophobicContact CG1-CD1 4.35Å; I165-L182 HydrophobicContact CG2-CB 3.96Å; I165-L182 HydrophobicContact CG2-CD1 4.39Å; I178-L182 HydrophobicContact CG2-CD1 3.93Å; I178-L182 HydrophobicContact CG2-CG 4.06Å; I178-L182 WeakPolarHBondContact O-CB 3.47Å; I178-L182 VanDerWaalsContact O-CG 3.26Å; I178-L182 WeakPolarHBondContact O-CG 3.24Å; I178-L182 PolarHBondContact O-N 3.37Å; R179-L182 PolarHBondContact O-N 3.4Å; L182-F185 PolarHBondContact O-N 3.49Å; L182-L186 VanDerWaalsContact O-CB 3.23Å; L182-L186 WeakPolarHBondContact O-CB 3.48Å; L182-L186 WeakPolarHBondContact O-CG 3.38Å; L182-L186 PolarHBondContact O-N 2.99Å
183C90.9Very high84.7Confident17 Ų1742 Ų4212%0.11521%0.211CC..Hα-helixtrans-61-47.5178-74.60000111.5R179 G180 L186 Q187R179-C183 VanDerWaalsContact O-CB 3.26Å; R179-C183 WeakPolarHBondContact O-CB 3.4Å; R179-C183 PolarHBondContact O-N 3.18Å; R179-C183 PolarHBondContact O-SG 3.33Å; G180-C183 PolarHBondContact O-N 3.3Å; C183-L186 PolarHBondContact O-N 3.11Å; C183-Q187 WeakPolarHBondContact O-CG 3.42Å; C183-Q187 PolarHBondContact O-N 3.38Å
184E89Confident86.6Confident32 Ų3236.1 Ų36.115%0.1518%0.175CC..Hα-helixtrans-60.4-46.1178.1-169.9-174.2161.900111.7G180 Y181 L186 Q187 L441 L444G180-E184 WeakPolarHBondContact O-CB 3.4Å; G180-E184 PolarHBondContact O-N 2.92Å; Y181-E184 PolarHBondContact O-N 3.34Å; E184-L186 VanDerWaalsContact C-N 3.31Å; E184-L186 PolarHBondContact O-N 2.97Å; E184-Q187 PolarHBondContact O-N 2.98Å; E184-L441 HydrophobicContact CG-CD2 3.69Å; E184-L441 WeakPolarHBondContact OE1-CA 3.47Å; E184-L441 PolarHBondContact OE1-N 2.89Å; E184-L444 HydrophobicContact CB-CD2 4.39Å; E184-L444 HydrophobicContact CG-CD2 4.07Å
185F90.2Very high88.3Confident12 Ų1233.6 Ų33.65%0.05317%0.165CC..Hα-helixtrans-63.2-37.3178.2-172.4-78.5000112.7I100 W114 Y181 L182 L444 N448I100-F185 HydrophobicContact CG2-CD1 3.62Å; I100-F185 HydrophobicContact CG2-CE1 3.33Å; I100-F185 HydrophobicContact CG2-CE2 4.37Å; I100-F185 HydrophobicContact CG2-CG 4.28Å; I100-F185 HydrophobicContact CG2-CZ 3.73Å; W114-F185 HydrophobicContact CZ2-CE2 4.45Å; W114-F185 AromaticContact CZ2-CZ 3.82Å; W114-F185 HydrophobicContact CZ2-CZ 3.82Å; Y181-F185 VanDerWaalsContact O-CB 3.24Å; Y181-F185 WeakPolarHBondContact O-CB 3.44Å; Y181-F185 PolarHBondContact O-N 3.07Å; L182-F185 PolarHBondContact O-N 3.49Å; F185-L444 HydrophobicContact CB-CD2 4.11Å; F185-L444 HydrophobicContact CD2-CD2 4.24Å; F185-N448 WeakPolarHBondContact CE2-OD1 3.49Å; F185-N448 WeakPolarHBondContact CZ-OD1 3.45Å
186L93.9Very high89.5Confident1 Ų132.9 Ų32.91%0.00516%0.16CC..Hα-helixtrans-84.4-14.7-176.7-70.9176.3000113.6L102 I165 L182 C183 E184 Y188 A189 F239 L242L102-L186 HydrophobicContact CB-CD2 4.23Å; L102-L186 HydrophobicContact CD2-CD1 4.35Å; I165-L186 HydrophobicContact CD1-CD1 3.55Å; L182-L186 VanDerWaalsContact O-CB 3.23Å; L182-L186 WeakPolarHBondContact O-CB 3.48Å; L182-L186 WeakPolarHBondContact O-CG 3.38Å; L182-L186 PolarHBondContact O-N 2.99Å; C183-L186 PolarHBondContact O-N 3.11Å; E184-L186 VanDerWaalsContact C-N 3.31Å; E184-L186 PolarHBondContact O-N 2.97Å; L186-Y188 PolarHBondContact O-N 2.82Å; L186-A189 VanDerWaalsContact O-CB 3.23Å; L186-A189 WeakPolarHBondContact O-CB 3.28Å; L186-A189 PolarHBondContact O-N 3.18Å; L186-A189 VanDerWaalsContact O-N 3.12Å; L186-F239 HydrophobicContact CB-CD1 4.08Å; L186-F239 HydrophobicContact CB-CE1 4.01Å; L186-L242 HydrophobicContact CB-CD1 3.85Å; L186-L242 HydrophobicContact CD1-CD1 4.49Å; L186-L242 HydrophobicContact CD2-CD1 3.9Å; L186-L242 HydrophobicContact CG-CD1 4.29Å
187Q92.8Very high90.2Very high56 Ų5626.2 Ų26.226%0.26213%0.131SC..THydrogen-bonded Turntrans-60.9129.6173.2-83.2178.954.500111.4C183 E184 A189 L238 F239C183-Q187 WeakPolarHBondContact O-CG 3.42Å; C183-Q187 PolarHBondContact O-N 3.38Å; E184-Q187 PolarHBondContact O-N 2.98Å; Q187-A189 PolarHBondContact O-N 3Å; Q187-L238 HydrophobicContact CG-CB 4.07Å; Q187-L238 HydrophobicContact CG-CD1 4.13Å; Q187-F239 HydrophobicContact CG-CE1 3.9Å; Q187-F239 HydrophobicContact CG-CZ 3.92Å
188Y92.4Very high90.6Very high11 Ų1123.3 Ų23.34%0.04311%0.113CC..THydrogen-bonded Turntrans52.218-173.7-56.4-85.3000114.5L186 R190 I191 K192 I194 Y195 R198 L238L186-Y188 PolarHBondContact O-N 2.82Å; Y188-R190 PolarHBondContact O-N 2.69Å; Y188-I191 HydrophobicContact CD1-CD1 4.33Å; Y188-I191 HydrophobicContact CD1-CG1 4.47Å; Y188-I191 CarbonylContact O-C 3.58Å; Y188-I191 PolarHBondContact O-N 3.05Å; Y188-K192 WeakPolarHBondContact O-CG 3.25Å; Y188-K192 PolarHBondContact O-N 2.98Å; Y188-I194 HydrophobicContact CE1-CG2 4.25Å; Y188-Y195 AromaticContact CD2-CD2 3.87Å; Y188-Y195 HydrophobicContact CD2-CD2 3.87Å; Y188-Y195 HydrophobicContact CD2-CG 4.18Å; Y188-Y195 AromaticContact CE2-CD2 3.68Å; Y188-Y195 HydrophobicContact CE2-CD2 3.68Å; Y188-Y195 HydrophobicContact CE2-CG 4.36Å; Y188-Y195 HydrophobicContact CG-CG 4.45Å; Y188-R198 PolarHBondContact OH-NH1 3.4Å; Y188-L238 WeakPolarHBondContact CA-O 3.33Å; Y188-L238 HydrophobicContact CE1-CD2 4.21Å; Y188-L238 HydrophobicContact CE2-CD2 3.71Å; Y188-L238 VanDerWaalsContact CZ-CD2 3.47Å; Y188-L238 PolarHBondContact N-O 3.21Å; Y188-L238 VanDerWaalsContact OH-CD2 3.26Å; Y188-L238 WeakPolarHBondContact OH-CD2 3.39Å
189A91.7Very high90.9Very high5 Ų525.6 Ų25.64%0.04112%0.122CC..THydrogen-bonded Turntrans-58.9137.9174.300000109.9L186 Q187 I191 L242L186-A189 VanDerWaalsContact O-CB 3.23Å; L186-A189 WeakPolarHBondContact O-CB 3.28Å; L186-A189 PolarHBondContact O-N 3.18Å; L186-A189 VanDerWaalsContact O-N 3.12Å; Q187-A189 PolarHBondContact O-N 3Å; A189-I191 PolarHBondContact O-N 3.4Å; A189-L242 HydrophobicContact CB-CD1 4.49Å; A189-L242 HydrophobicContact CB-CD2 3.64Å; A189-L242 HydrophobicContact CB-CG 4.29Å
190R90.2Very high91.3Very high83 Ų8323 Ų2331%0.31311%0.113SC..THydrogen-bonded Turntrans61.9-11.5-168.7-53.2173.351.6-178.6-5.7116.9Y188 G241 L242 F249Y188-R190 PolarHBondContact O-N 2.69Å; R190-G241 VanDerWaalsContact CD-O 3.28Å; R190-G241 WeakPolarHBondContact CD-O 3.33Å; R190-G241 PolarHBondContact NE-O 3.15Å; R190-L242 HydrophobicContact CG-CD2 4.45Å; R190-F249 HydrophobicContact CB-CE2 3.59Å; R190-F249 HydrophobicContact CB-CZ 3.9Å
191I91.9Very high91.5Very high0 Ų021.3 Ų21.30%010%0.095CC..  trans-125.933.8178.358.1165000113.1Y188 A189 S193 I194 A240 G241 F249 L252Y188-I191 HydrophobicContact CD1-CD1 4.33Å; Y188-I191 HydrophobicContact CD1-CG1 4.47Å; Y188-I191 CarbonylContact O-C 3.58Å; Y188-I191 PolarHBondContact O-N 3.05Å; A189-I191 PolarHBondContact O-N 3.4Å; I191-S193 PolarHBondContact O-N 3.02Å; I191-S193 VanDerWaalsContact O-N 3.07Å; I191-I194 HydrophobicContact CB-CD1 4.16Å; I191-I194 HydrophobicContact CD1-CD1 4.18Å; I191-I194 PolarHBondContact O-N 3.1Å; I191-A240 HydrophobicContact CD1-CB 4.1Å; I191-G241 VanDerWaalsContact CG2-CA 3.49Å; I191-F249 HydrophobicContact CG2-CE2 4.08Å; I191-L252 HydrophobicContact CG2-CB 3.86Å; I191-L252 HydrophobicContact CG2-CD1 4.34Å
192K89.7Confident91.4Very high40 Ų4020.9 Ų20.917%0.1749%0.093CC..Hα-helixtrans-56.9-24.7178.9-67.6-170.3175.9-175.10113Y188 I194 Y195 L196 Y278 N448Y188-K192 WeakPolarHBondContact O-CG 3.25Å; Y188-K192 PolarHBondContact O-N 2.98Å; K192-I194 VanDerWaalsContact C-N 3.32Å; K192-I194 PolarHBondContact O-N 3.41Å; K192-Y195 PolarHBondContact O-N 3.4Å; K192-L196 WeakPolarHBondContact O-CG 3.33Å; K192-L196 PolarHBondContact O-N 3.2Å; K192-Y278 HydrophobicContact CD-CE2 4.42Å; K192-N448 PolarHBondContact NZ-ND2 3.15Å
193S91Very high91.1Very high15 Ų1523.2 Ų23.211%0.10510%0.104CC..Hα-helixtrans-47.1-51.4167.944.70000112.6I191 Y195 L196 I197 T261I191-S193 PolarHBondContact O-N 3.02Å; I191-S193 VanDerWaalsContact O-N 3.07Å; S193-Y195 PolarHBondContact O-N 3.47Å; S193-L196 PolarHBondContact O-N 2.98Å; S193-I197 WeakPolarHBondContact O-CB 3.29Å; S193-I197 WeakPolarHBondContact O-CD1 3.18Å; S193-I197 WeakPolarHBondContact O-CG1 3.36Å; S193-I197 PolarHBondContact O-N 3.3Å; S193-T261 VanDerWaalsContact CA-OG1 3.26Å; S193-T261 WeakPolarHBondContact CA-OG1 2.92Å; S193-T261 WeakPolarHBondContact CB-OG1 3.34Å
194I92.4Very high90.8Very high0 Ų025 Ų250%011%0.11CC..Hα-helixtrans-62.8-43.2-177.5-65.7176.1000111.1Y188 I191 K192 R198 W222 M226 L252Y188-I194 HydrophobicContact CE1-CG2 4.25Å; I191-I194 HydrophobicContact CB-CD1 4.16Å; I191-I194 HydrophobicContact CD1-CD1 4.18Å; I191-I194 PolarHBondContact O-N 3.1Å; K192-I194 VanDerWaalsContact C-N 3.32Å; K192-I194 PolarHBondContact O-N 3.41Å; I194-R198 WeakPolarHBondContact O-CB 3.41Å; I194-R198 PolarHBondContact O-N 3.05Å; I194-W222 HydrophobicContact CG1-CZ3 4.49Å; I194-W222 HydrophobicContact CG2-CH2 4.39Å; I194-M226 HydrophobicContact CB-CE 4.45Å; I194-M226 HydrophobicContact CD1-CE 3.86Å; I194-M226 HydrophobicContact CG1-CE 3.89Å; I194-M226 HydrophobicContact CG2-CE 3.81Å; I194-L252 HydrophobicContact CD1-CB 4.29Å; I194-L252 HydrophobicContact CD1-CD2 3.8Å
195Y92.3Very high90.1Very high40 Ų4023.7 Ų23.716%0.15710%0.104CC..Hα-helixtrans-61.7-47.8175.5173.1-100.1000112.2Y188 K192 S193 R198 K199 F445Y188-Y195 AromaticContact CD2-CD2 3.87Å; Y188-Y195 HydrophobicContact CD2-CD2 3.87Å; Y188-Y195 HydrophobicContact CD2-CG 4.18Å; Y188-Y195 AromaticContact CE2-CD2 3.68Å; Y188-Y195 HydrophobicContact CE2-CD2 3.68Å; Y188-Y195 HydrophobicContact CE2-CG 4.36Å; Y188-Y195 HydrophobicContact CG-CG 4.45Å; K192-Y195 PolarHBondContact O-N 3.4Å; S193-Y195 PolarHBondContact O-N 3.47Å; Y195-R198 PolarHBondContact O-N 3.41Å; Y195-K199 HydrophobicContact CE1-CD 3.86Å; Y195-K199 HydrophobicContact CE2-CD 4.44Å; Y195-K199 VanDerWaalsContact O-CB 3.25Å; Y195-K199 WeakPolarHBondContact O-CB 3.27Å; Y195-K199 PolarHBondContact O-N 3.49Å; Y195-K199 WeakPolarHBondContact OH-CD 3.32Å; Y195-K199 PolarHBondContact OH-NZ 3.27Å; Y195-F445 HydrophobicContact CE1-CD2 4.32Å; Y195-F445 AromaticContact CE1-CE2 3.74Å; Y195-F445 HydrophobicContact CE1-CE2 3.74Å; Y195-F445 HydrophobicContact CE1-CZ 4.14Å; Y195-F445 HydrophobicContact CE2-CE2 4.49Å; Y195-F445 AromaticContact CZ-CE2 3.71Å
196L94.1Very high89.3Confident8 Ų824.4 Ų24.44%0.04211%0.108CC..Hα-helixtrans-66.9-47.1-177.1-68.4169000111.7K192 S193 R198 K199 Y200 T261 A264 V265 L275 Y278K192-L196 WeakPolarHBondContact O-CG 3.33Å; K192-L196 PolarHBondContact O-N 3.2Å; S193-L196 PolarHBondContact O-N 2.98Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-R198 PolarHBondContact O-N 3.31Å; L196-K199 PolarHBondContact O-N 3.44Å; L196-Y200 HydrophobicContact CD2-CD2 4.08Å; L196-Y200 HydrophobicContact CD2-CE2 3.77Å; L196-Y200 PolarHBondContact O-N 2.96Å; L196-T261 HydrophobicContact CB-CG2 4.48Å; L196-T261 HydrophobicContact CD1-CG2 3.82Å; L196-A264 HydrophobicContact CB-CB 4.17Å; L196-V265 HydrophobicContact CD1-CG2 3.93Å; L196-L275 HydrophobicContact CD2-CD2 4.44Å; L196-Y278 HydrophobicContact CD1-CE1 3.82Å; L196-Y278 HydrophobicContact CD1-CE2 4.19Å
197I93.6Very high88.6Confident0 Ų027 Ų270%012%0.117CC..Hα-helixtrans-59.6-45.9175.8-65164.5000110.1S193 L201 I202 W222 L257 L260 A264S193-I197 WeakPolarHBondContact O-CB 3.29Å; S193-I197 WeakPolarHBondContact O-CD1 3.18Å; S193-I197 WeakPolarHBondContact O-CG1 3.36Å; S193-I197 PolarHBondContact O-N 3.3Å; I197-L201 HydrophobicContact CG2-CB 4.49Å; I197-L201 HydrophobicContact CG2-CD1 4.38Å; I197-L201 WeakPolarHBondContact O-CA 3.46Å; I197-L201 WeakPolarHBondContact O-CB 3.32Å; I197-L201 PolarHBondContact O-N 3.08Å; I197-I202 HydrophobicContact CG2-CG1 4.3Å; I197-I202 PolarHBondContact O-N 3.45Å; I197-W222 HydrophobicContact CB-CE3 4.36Å; I197-W222 HydrophobicContact CB-CH2 4.09Å; I197-W222 HydrophobicContact CB-CZ3 3.75Å; I197-W222 HydrophobicContact CD1-CE3 4.07Å; I197-W222 HydrophobicContact CD1-CZ3 3.97Å; I197-W222 HydrophobicContact CG1-CZ3 4.48Å; I197-W222 HydrophobicContact CG2-CD2 4.16Å; I197-W222 HydrophobicContact CG2-CE3 3.71Å; I197-W222 HydrophobicContact CG2-CH2 3.69Å; I197-W222 HydrophobicContact CG2-CZ2 4.14Å; I197-W222 HydrophobicContact CG2-CZ3 3.45Å; I197-W222 VanDerWaalsContact CG2-CZ3 3.45Å; I197-L257 HydrophobicContact CD1-CD2 4.04Å; I197-L260 HydrophobicContact CD1-CB 3.58Å; I197-L260 HydrophobicContact CD1-CD1 4.39Å; I197-L260 HydrophobicContact CG1-CB 3.86Å; I197-A264 HydrophobicContact CG1-CB 4.35Å
198R90.6Very high88Confident35 Ų3525.5 Ų25.513%0.13211%0.112CC..Iπ-helixtrans-56.2-53.2173.7173.5-178.3171.2171.23111.3Y188 I194 Y195 L196 H203 L373 D374Y188-R198 PolarHBondContact OH-NH1 3.4Å; I194-R198 WeakPolarHBondContact O-CB 3.41Å; I194-R198 PolarHBondContact O-N 3.05Å; Y195-R198 PolarHBondContact O-N 3.41Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-R198 PolarHBondContact O-N 3.31Å; R198-H203 PolarHBondContact O-N 2.83Å; R198-H203 PolarHBondContact O-ND1 2.89Å; R198-L373 HydrophobicContact CG-CD1 4.09Å; R198-L373 PolarHBondContact NH1-O 3.39Å; R198-L373 PolarHBondContact NH2-O 3.15Å; R198-D374 IonicContact CZ-OD1 3.38Å; R198-D374 IonicContact NE-OD1 3.85Å; R198-D374 IonicContact NH2-OD1 3.93Å; R198-D374 PolarHBondContact NH2-OD1 3.45Å
199K90.3Very high87.8Confident63 Ų6325 Ų2527%0.27411%0.111SC..Iπ-helixtrans-70.4-34.8-170.7-174.7177.6179.2-167.10113.7Y195 L196 H203Y195-K199 HydrophobicContact CE1-CD 3.86Å; Y195-K199 HydrophobicContact CE2-CD 4.44Å; Y195-K199 VanDerWaalsContact O-CB 3.25Å; Y195-K199 WeakPolarHBondContact O-CB 3.27Å; Y195-K199 PolarHBondContact O-N 3.49Å; Y195-K199 WeakPolarHBondContact OH-CD 3.32Å; Y195-K199 PolarHBondContact OH-NZ 3.27Å; L196-K199 PolarHBondContact O-N 3.44Å; K199-H203 WeakPolarHBondContact O-CB 3.23Å
200Y93Very high87.8Confident12 Ų1225 Ų255%0.04711%0.11CC..Iπ-helixtrans-116.8-12.3-171-59.4-58.4000115L196 E204 A264 V267 L275L196-Y200 HydrophobicContact CD2-CD2 4.08Å; L196-Y200 HydrophobicContact CD2-CE2 3.77Å; L196-Y200 PolarHBondContact O-N 2.96Å; Y200-E204 WeakPolarHBondContact O-CG 3.43Å; Y200-A264 WeakPolarHBondContact CB-O 3.31Å; Y200-A264 WeakPolarHBondContact CD2-O 3.45Å; Y200-V267 WeakPolarHBondContact O-CG1 3.35Å; Y200-L275 HydrophobicContact CD2-CD1 4.37Å; Y200-L275 HydrophobicContact CE2-CD1 3.51Å
201L92.1Very high87.6Confident1 Ų123 Ų231%0.00511%0.111CC..Iπ-helixtrans-117.9-46.6176.3-53179.1000112.5I197 E204 I209 L210 L260 I263 A264 V267I197-L201 HydrophobicContact CG2-CB 4.49Å; I197-L201 HydrophobicContact CG2-CD1 4.38Å; I197-L201 WeakPolarHBondContact O-CA 3.46Å; I197-L201 WeakPolarHBondContact O-CB 3.32Å; I197-L201 PolarHBondContact O-N 3.08Å; L201-E204 PolarHBondContact O-N 3.42Å; L201-I209 HydrophobicContact CD2-CG2 4Å; L201-L210 HydrophobicContact CB-CD1 3.9Å; L201-L210 HydrophobicContact CB-CD2 4.07Å; L201-L210 HydrophobicContact CB-CG 4.08Å; L201-L210 HydrophobicContact CD1-CD2 3.94Å; L201-L260 WeakPolarHBondContact CD1-O 3.17Å; L201-I263 HydrophobicContact CD1-CB 4.39Å; L201-I263 HydrophobicContact CD1-CG2 4.14Å; L201-I263 HydrophobicContact CD2-CG2 3.88Å; L201-A264 HydrophobicContact CD1-CB 3.82Å; L201-A264 HydrophobicContact CD2-CB 4.46Å; L201-A264 HydrophobicContact CG-CB 3.82Å; L201-V267 HydrophobicContact CD2-CB 4.35Å; L201-V267 HydrophobicContact CD2-CG2 3.96Å
202I87.8Confident87.5Confident0 Ų023.5 Ų23.50%011%0.114CC..Iπ-helixtrans-72.4-38.2178.5-51.7-68.2000111.4I197 E204 W205 L210 W222 L366 K370I197-I202 HydrophobicContact CG2-CG1 4.3Å; I197-I202 PolarHBondContact O-N 3.45Å; I202-E204 VanDerWaalsContact C-N 3.3Å; I202-W205 PolarHBondContact O-N 2.66Å; I202-L210 HydrophobicContact CD1-CD1 3.52Å; I202-L210 HydrophobicContact CG1-CD1 4.45Å; I202-W222 HydrophobicContact CD1-CZ2 3.8Å; I202-W222 HydrophobicContact CG1-CH2 4.42Å; I202-W222 HydrophobicContact CG1-CZ2 3.74Å; I202-L366 HydrophobicContact CD1-CD2 3.8Å; I202-K370 HydrophobicContact CG2-CB 4.29Å
203H83.9Confident87.6Confident57 Ų5726.5 Ų26.526%0.26414%0.137SC..THydrogen-bonded Turntrans-67.8-31.6174.7-82.660000112.7R198 K199 W205 D374R198-H203 PolarHBondContact O-N 2.83Å; R198-H203 PolarHBondContact O-ND1 2.89Å; K199-H203 WeakPolarHBondContact O-CB 3.23Å; H203-W205 VanDerWaalsContact O-CD1 3.26Å; H203-W205 PolarHBondContact O-N 3.2Å; H203-D374 IonicContact CE1-OD1 3.23Å; H203-D374 IonicContact NE2-OD1 3.36Å
204E83.3Confident87.7Confident54 Ų5429.7 Ų29.725%0.25215%0.148SC..THydrogen-bonded Turntrans-84.530.5176.9-67.9-57.9136.200112.8Y200 L201 I202 Q206 R207 F297Y200-E204 WeakPolarHBondContact O-CG 3.43Å; L201-E204 PolarHBondContact O-N 3.42Å; I202-E204 VanDerWaalsContact C-N 3.3Å; E204-Q206 PolarHBondContact O-N 3.18Å; E204-R207 CarbonylContact O-C 3.55Å; E204-R207 PolarHBondContact O-N 3.26Å; E204-F297 HydrophobicContact CB-CE1 4.03Å; E204-F297 HydrophobicContact CB-CZ 4.07Å; E204-F297 HydrophobicContact CG-CE1 4.09Å
205W74.1Confident87.9Confident5 Ų529.7 Ų29.72%0.01915%0.148CC..THydrogen-bonded Turntrans-54.1-18.3-178.959.1-96.8000115.1I202 H203 R207 P310 K311 M314 V363 L366 M367I202-W205 PolarHBondContact O-N 2.66Å; H203-W205 VanDerWaalsContact O-CD1 3.26Å; H203-W205 PolarHBondContact O-N 3.2Å; W205-R207 VanDerWaalsContact C-N 3.28Å; W205-P310 HydrophobicContact CH2-CB 3.78Å; W205-P310 HydrophobicContact CZ3-CB 3.98Å; W205-P310 HydrophobicContact CZ3-CG 4.3Å; W205-K311 HydrophobicContact CH2-CB 4.27Å; W205-M314 HydrophobicContact CZ2-SD 4.25Å; W205-V363 HydrophobicContact CD2-CG1 4.47Å; W205-V363 HydrophobicContact CE3-CG1 3.55Å; W205-V363 HydrophobicContact CZ3-CG1 4.01Å; W205-L366 HydrophobicContact CB-CB 4.07Å; W205-L366 HydrophobicContact CB-CD1 4.05Å; W205-M367 HydrophobicContact CD2-CG 3.96Å; W205-M367 HydrophobicContact CD2-SD 4.4Å; W205-M367 HydrophobicContact CE3-CG 4.31Å; W205-M367 HydrophobicContact CE3-SD 4.23Å; W205-M367 HydrophobicContact CG-CG 4.19Å; W205-M367 HydrophobicContact CH2-CE 4.31Å; W205-M367 HydrophobicContact CH2-SD 4.41Å; W205-M367 HydrophobicContact CZ2-CE 4.2Å; W205-M367 HydrophobicContact CZ3-SD 4.23Å
206Q73.2Confident87.9Confident27 Ų2730.9 Ų30.913%0.12616%0.162CC..THydrogen-bonded Turntrans-67.9-25.8172.7-72.7157.347.500112.6E204 P208 L303 T307E204-Q206 PolarHBondContact O-N 3.18Å; Q206-P208 VanDerWaalsContact O-CD 3.29Å; Q206-P208 WeakPolarHBondContact O-CD 3.42Å; Q206-L303 HydrophobicContact CB-CD1 4.45Å; Q206-L303 HydrophobicContact CB-CD2 4.17Å; Q206-T307 PolarHBondContact O-OG1 3.11Å
207R80.5Confident87.9Confident54 Ų5433.7 Ų33.720%0.20418%0.18CC..SBendtrans-108.587.1172-67.3178.4178.2-74.2-4.7106.9E204 W205 I209 Y296 F297 V301 L303E204-R207 CarbonylContact O-C 3.55Å; E204-R207 PolarHBondContact O-N 3.26Å; W205-R207 VanDerWaalsContact C-N 3.28Å; R207-I209 PolarHBondContact O-N 3.21Å; R207-Y296 WeakPolarHBondContact CD-O 3.44Å; R207-Y296 PolarHBondContact NH1-O 3.02Å; R207-F297 HydrophobicContact CB-CE1 3.99Å; R207-F297 HydrophobicContact CB-CE2 4.28Å; R207-F297 HydrophobicContact CB-CZ 3.8Å; R207-F297 VanDerWaalsContact CD-CD1 3.42Å; R207-F297 VanDerWaalsContact CD-CE1 3.45Å; R207-F297 HydrophobicContact CG-CE1 4.32Å; R207-V301 PolarHBondContact NH1-O 3.42Å; R207-V301 PolarHBondContact NH2-O 2.79Å; R207-L303 HydrophobicContact CG-CD2 3.51Å
208P79.1Confident88Confident25 Ų2533.8 Ų33.816%0.16218%0.18CC..  trans-77.658.5-167.133.9-39000112.3Q206 L210 A211 F362Q206-P208 VanDerWaalsContact O-CD 3.29Å; Q206-P208 WeakPolarHBondContact O-CD 3.42Å; P208-L210 PolarHBondContact O-N 3Å; P208-A211 HydrophobicContact CB-CB 3.97Å; P208-A211 VanDerWaalsContact O-CB 3.26Å; P208-A211 WeakPolarHBondContact O-CB 3.44Å; P208-A211 PolarHBondContact O-N 2.98Å; P208-F362 HydrophobicContact CB-CE1 4.49Å
209I89.9Confident88.1Confident1 Ų133.4 Ų33.41%0.00518%0.18CC..G310 helixtrans-56.9-37.1174.1-173.4165.5000111.2L201 R207 A211 D212 L215 I263 L292 V293 Y296 F297L201-I209 HydrophobicContact CD2-CG2 4Å; R207-I209 PolarHBondContact O-N 3.21Å; I209-A211 PolarHBondContact O-N 3.41Å; I209-D212 VanDerWaalsContact O-CB 3.31Å; I209-D212 WeakPolarHBondContact O-CB 3.24Å; I209-D212 PolarHBondContact O-N 3.49Å; I209-L215 HydrophobicContact CG1-CD1 4.36Å; I209-I263 HydrophobicContact CD1-CG2 3.68Å; I209-L292 HydrophobicContact CD1-CD2 3.94Å; I209-L292 HydrophobicContact CD1-CG 3.9Å; I209-L292 HydrophobicContact CG1-CD2 3.69Å; I209-L292 HydrophobicContact CG1-CG 3.82Å; I209-V293 HydrophobicContact CD1-CG2 4.38Å; I209-Y296 HydrophobicContact CB-CD1 4.23Å; I209-Y296 HydrophobicContact CB-CD2 4.02Å; I209-Y296 HydrophobicContact CB-CG 3.84Å; I209-Y296 HydrophobicContact CD1-CD2 4.32Å; I209-Y296 HydrophobicContact CG1-CD2 3.83Å; I209-Y296 HydrophobicContact CG1-CE2 4.38Å; I209-Y296 HydrophobicContact CG1-CG 4.13Å; I209-F297 HydrophobicContact CB-CE2 4.01Å; I209-F297 HydrophobicContact CD1-CD2 4.28Å; I209-F297 HydrophobicContact CD1-CE2 3.89Å; I209-F297 HydrophobicContact CG2-CE2 3.88Å; I209-F297 HydrophobicContact CG2-CZ 4.28Å
210L90.1Very high88.2Confident4 Ų436.6 Ų36.62%0.02120%0.196CC..G310 helixtrans-66.9-11.9175.3-62.4-177.6000113.5L201 I202 P208 L215 M219 L260 F362 L366L201-L210 HydrophobicContact CB-CD1 3.9Å; L201-L210 HydrophobicContact CB-CD2 4.07Å; L201-L210 HydrophobicContact CB-CG 4.08Å; L201-L210 HydrophobicContact CD1-CD2 3.94Å; I202-L210 HydrophobicContact CD1-CD1 3.52Å; I202-L210 HydrophobicContact CG1-CD1 4.45Å; P208-L210 PolarHBondContact O-N 3Å; L210-L215 HydrophobicContact CD2-CD1 4.3Å; L210-M219 HydrophobicContact CB-CE 4.21Å; L210-M219 HydrophobicContact CB-SD 3.76Å; L210-M219 HydrophobicContact CD1-CE 4.38Å; L210-M219 HydrophobicContact CD1-SD 4.17Å; L210-M219 HydrophobicContact CD2-SD 3.81Å; L210-M219 HydrophobicContact CG-SD 4.12Å; L210-M219 WeakPolarHBondContact O-CG 3.49Å; L210-L260 HydrophobicContact CD2-CD2 3.88Å; L210-F362 HydrophobicContact CB-CE1 4.17Å; L210-F362 HydrophobicContact CB-CZ 3.68Å; L210-F362 WeakPolarHBondContact O-CZ 3.38Å; L210-L366 HydrophobicContact CB-CD1 4.46Å; L210-L366 HydrophobicContact CD1-CD1 4.26Å; L210-L366 HydrophobicContact CD1-CD2 4.11Å
211A86.8Confident88.3Confident41 Ų4139 Ų3934%0.33921%0.207SC..G310 helixtrans-90.5-4.9172.900000112.9P208 I209 P213 F362P208-A211 HydrophobicContact CB-CB 3.97Å; P208-A211 VanDerWaalsContact O-CB 3.26Å; P208-A211 WeakPolarHBondContact O-CB 3.44Å; P208-A211 PolarHBondContact O-N 2.98Å; I209-A211 PolarHBondContact O-N 3.41Å; A211-P213 WeakPolarHBondContact O-CD 3.34Å; A211-F362 HydrophobicContact CB-CD1 3.56Å; A211-F362 HydrophobicContact CB-CD2 4.41Å; A211-F362 HydrophobicContact CB-CE1 3.53Å; A211-F362 HydrophobicContact CB-CE2 4.4Å; A211-F362 HydrophobicContact CB-CG 4.02Å; A211-F362 HydrophobicContact CB-CZ 4Å
212D90.4Very high88.4Confident12 Ų1238.9 Ų38.96%0.06421%0.207CC..SBendtrans-65127.9177.7-164.3-57000109.3I209 Y214 L215 L292 R295 Y296I209-D212 VanDerWaalsContact O-CB 3.31Å; I209-D212 WeakPolarHBondContact O-CB 3.24Å; I209-D212 PolarHBondContact O-N 3.49Å; D212-Y214 PolarHBondContact O-N 3.38Å; D212-Y214 VanDerWaalsContact OD1-CB 3.23Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.47Å; D212-Y214 PolarHBondContact OD1-N 2.86Å; D212-L215 PolarHBondContact O-N 3.08Å; D212-L292 HydrophobicContact CB-CD1 3.87Å; D212-L292 WeakPolarHBondContact OD2-CD1 3.48Å; D212-R295 IonicContact OD2-CZ 3.46Å; D212-R295 IonicContact OD2-NH1 3.7Å; D212-R295 PolarHBondContact OD2-NH1 3.13Å; D212-Y296 HydrophobicContact CB-CE2 4.11Å; D212-Y296 WeakPolarHBondContact OD2-CE2 3.2Å; D212-Y296 PolarHBondContact OD2-OH 3.41Å
213P90.7Very high88.5Confident103 Ų10340.7 Ų40.767%0.66922%0.222SC*.G310 helixtrans-52.4-27177.9-28.836.1000114.2A211 L215 S216A211-P213 WeakPolarHBondContact O-CD 3.34Å; P213-L215 PolarHBondContact O-N 2.85Å; P213-S216 VanDerWaalsContact O-CB 3.27Å; P213-S216 WeakPolarHBondContact O-CB 3.23Å; P213-S216 PolarHBondContact O-N 3.12Å; P213-S216 VanDerWaalsContact O-N 3.15Å; P213-S216 PolarHBondContact O-OG 3.26Å
214Y94.5Very high88.9Confident81 Ų8139.3 Ų39.332%0.31822%0.22SC..G310 helixtrans-60.1-25.7174.1178.3-104.5000114.1D212 R259 D285 A288 L292D212-Y214 PolarHBondContact O-N 3.38Å; D212-Y214 VanDerWaalsContact OD1-CB 3.23Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.47Å; D212-Y214 PolarHBondContact OD1-N 2.86Å; Y214-R259 VanDerWaalsContact CZ-NH2 3.33Å; Y214-R259 PolarHBondContact OH-NH2 3.45Å; Y214-D285 PolarHBondContact OH-OD2 3.15Å; Y214-A288 HydrophobicContact CE1-CB 4.45Å; Y214-A288 HydrophobicContact CE2-CB 4.29Å; Y214-A288 WeakPolarHBondContact OH-CB 3.36Å; Y214-L292 HydrophobicContact CD1-CD2 4.1Å
215L95Very high89.4Confident0 Ų036.7 Ų36.70%021%0.208CC..G310 helixtrans-101.111.3177.3-60.2-174000113.5I209 L210 D212 P213 T217 D218 M219 L260 I263 L292I209-L215 HydrophobicContact CG1-CD1 4.36Å; L210-L215 HydrophobicContact CD2-CD1 4.3Å; D212-L215 PolarHBondContact O-N 3.08Å; P213-L215 PolarHBondContact O-N 2.85Å; L215-T217 PolarHBondContact O-N 3.34Å; L215-D218 HydrophobicContact CB-CB 4.49Å; L215-D218 WeakPolarHBondContact O-CB 3.37Å; L215-D218 PolarHBondContact O-N 3.02Å; L215-D218 VanDerWaalsContact O-N 3.08Å; L215-M219 WeakPolarHBondContact O-CG 3.32Å; L215-M219 PolarHBondContact O-N 2.89Å; L215-L260 HydrophobicContact CD1-CD2 3.93Å; L215-L260 HydrophobicContact CD2-CD2 4.34Å; L215-I263 HydrophobicContact CD1-CD1 4.09Å; L215-I263 HydrophobicContact CD2-CD1 3.77Å; L215-L292 HydrophobicContact CD1-CD2 3.63Å; L215-L292 HydrophobicContact CD2-CD2 4.02Å; L215-L292 HydrophobicContact CG-CD2 3.77Å
216S92.3Very high90.3Very high66 Ų6637.1 Ų37.146%0.46221%0.21SC..Hα-helixtrans-54.5-52-176.948.70000113P213 D218 M219 E220P213-S216 VanDerWaalsContact O-CB 3.27Å; P213-S216 WeakPolarHBondContact O-CB 3.23Å; P213-S216 PolarHBondContact O-N 3.12Å; P213-S216 VanDerWaalsContact O-N 3.15Å; P213-S216 PolarHBondContact O-OG 3.26Å; S216-D218 VanDerWaalsContact C-N 3.3Å; S216-D218 PolarHBondContact O-N 3.12Å; S216-M219 PolarHBondContact O-N 3.16Å; S216-E220 PolarHBondContact O-N 2.79Å; S216-E220 VanDerWaalsContact O-N 3.13Å
217T94.2Very high91.2Very high67 Ų6743.2 Ų43.241%0.41123%0.232SC..Hα-helixtrans-61.2-36.9175.3-53.90000112.3L215 M219 E220 H221 Q256L215-T217 PolarHBondContact O-N 3.34Å; T217-M219 VanDerWaalsContact C-N 3.32Å; T217-M219 PolarHBondContact O-N 2.97Å; T217-E220 PolarHBondContact O-N 2.86Å; T217-H221 PolarHBondContact O-N 3.14Å; T217-H221 PolarHBondContact O-ND1 3.19Å; T217-Q256 HydrophobicContact CG2-CG 4.4Å
218D95.6Very high91.8Very high1 Ų140.9 Ų40.91%0.00522%0.224CC..Hα-helixtrans-67.9-34.5177.7-52.2-94.1000112.4L215 S216 H221 W222 Q256 R259 L260L215-D218 HydrophobicContact CB-CB 4.49Å; L215-D218 WeakPolarHBondContact O-CB 3.37Å; L215-D218 PolarHBondContact O-N 3.02Å; L215-D218 VanDerWaalsContact O-N 3.08Å; S216-D218 VanDerWaalsContact C-N 3.3Å; S216-D218 PolarHBondContact O-N 3.12Å; D218-H221 PolarHBondContact O-N 2.83Å; D218-W222 WeakPolarHBondContact O-CB 3.29Å; D218-W222 PolarHBondContact O-N 3.16Å; D218-Q256 HydrophobicContact CB-CB 4.36Å; D218-Q256 WeakPolarHBondContact OD1-CA 3.47Å; D218-R259 IonicContact OD1-CZ 3.19Å; D218-R259 IonicContact OD1-NH1 3.11Å; D218-R259 PolarHBondContact OD1-NH1 2.76Å; D218-R259 IonicContact OD2-CZ 2.71Å; D218-R259 IonicContact OD2-NH1 2.65Å; D218-R259 PolarHBondContact OD2-NH1 2.89Å; D218-L260 HydrophobicContact CB-CD1 3.88Å; D218-L260 HydrophobicContact CB-CD2 3.84Å; D218-L260 HydrophobicContact CB-CG 3.73Å
219M92.5Very high92.5Very high28 Ų2840.2 Ų40.214%0.13822%0.218CC..Hα-helixtrans-70.8-31.7175.4-72.1-55-6400113L210 L215 S216 T217 W222 A223 F362 L366L210-M219 HydrophobicContact CB-CE 4.21Å; L210-M219 HydrophobicContact CB-SD 3.76Å; L210-M219 HydrophobicContact CD1-CE 4.38Å; L210-M219 HydrophobicContact CD1-SD 4.17Å; L210-M219 HydrophobicContact CD2-SD 3.81Å; L210-M219 HydrophobicContact CG-SD 4.12Å; L210-M219 WeakPolarHBondContact O-CG 3.49Å; L215-M219 WeakPolarHBondContact O-CG 3.32Å; L215-M219 PolarHBondContact O-N 2.89Å; S216-M219 PolarHBondContact O-N 3.16Å; T217-M219 VanDerWaalsContact C-N 3.32Å; T217-M219 PolarHBondContact O-N 2.97Å; M219-W222 PolarHBondContact O-N 2.73Å; M219-W222 HydrophobicContact SD-CB 4.48Å; M219-A223 WeakPolarHBondContact O-CB 3.26Å; M219-A223 PolarHBondContact O-N 3.37Å; M219-F362 HydrophobicContact CE-CE2 4.23Å; M219-F362 HydrophobicContact CE-CZ 4.18Å; M219-L366 HydrophobicContact CE-CD2 4.3Å
220E92.6Very high92.5Very high129 Ų12943 Ų4360%0.60323%0.232SC*.Hα-helixtrans-63.7-43.6169.3-67.7174.3164.500111.3S216 T217 A223 A224S216-E220 PolarHBondContact O-N 2.79Å; S216-E220 VanDerWaalsContact O-N 3.13Å; T217-E220 PolarHBondContact O-N 2.86Å; E220-A223 PolarHBondContact O-N 3.36Å; E220-A224 PolarHBondContact O-N 3.16Å
221H94.9Very high92.6Very high62 Ų6250.1 Ų50.129%0.28727%0.265SS..Hα-helixtrans-68-38176.9-72.369.1000111.9T217 D218 A224 A225 Q256T217-H221 PolarHBondContact O-N 3.14Å; T217-H221 PolarHBondContact O-ND1 3.19Å; D218-H221 PolarHBondContact O-N 2.83Å; H221-A224 PolarHBondContact O-N 2.98Å; H221-A225 WeakPolarHBondContact O-CB 3.45Å; H221-A225 PolarHBondContact O-N 2.97Å; H221-Q256 HydrophobicContact CB-CB 3.7Å; H221-Q256 HydrophobicContact CB-CG 4.25Å; H221-Q256 PolarHBondContact CD2-OE1 2.84Å
222W94.3Very high92.9Very high0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-59.1-46.7169.4175.2-107.1000111.8I194 I197 I202 D218 M219 A224 A225 M226 L257 L260I194-W222 HydrophobicContact CG1-CZ3 4.49Å; I194-W222 HydrophobicContact CG2-CH2 4.39Å; I197-W222 HydrophobicContact CB-CE3 4.36Å; I197-W222 HydrophobicContact CB-CH2 4.09Å; I197-W222 HydrophobicContact CB-CZ3 3.75Å; I197-W222 HydrophobicContact CD1-CE3 4.07Å; I197-W222 HydrophobicContact CD1-CZ3 3.97Å; I197-W222 HydrophobicContact CG1-CZ3 4.48Å; I197-W222 HydrophobicContact CG2-CD2 4.16Å; I197-W222 HydrophobicContact CG2-CE3 3.71Å; I197-W222 HydrophobicContact CG2-CH2 3.69Å; I197-W222 HydrophobicContact CG2-CZ2 4.14Å; I197-W222 HydrophobicContact CG2-CZ3 3.45Å; I197-W222 VanDerWaalsContact CG2-CZ3 3.45Å; I202-W222 HydrophobicContact CD1-CZ2 3.8Å; I202-W222 HydrophobicContact CG1-CH2 4.42Å; I202-W222 HydrophobicContact CG1-CZ2 3.74Å; D218-W222 WeakPolarHBondContact O-CB 3.29Å; D218-W222 PolarHBondContact O-N 3.16Å; M219-W222 PolarHBondContact O-N 2.73Å; M219-W222 HydrophobicContact SD-CB 4.48Å; W222-A224 VanDerWaalsContact C-N 3.34Å; W222-A224 PolarHBondContact O-N 3.43Å; W222-A225 PolarHBondContact O-N 3.32Å; W222-M226 HydrophobicContact CD2-CE 4.44Å; W222-M226 HydrophobicContact CD2-CG 3.92Å; W222-M226 HydrophobicContact CD2-SD 4.5Å; W222-M226 HydrophobicContact CE3-CE 3.99Å; W222-M226 HydrophobicContact CE3-CG 4.4Å; W222-M226 HydrophobicContact CG-CG 4.39Å; W222-M226 HydrophobicContact CH2-CE 3.66Å; W222-M226 HydrophobicContact CH2-CG 4.23Å; W222-M226 HydrophobicContact CH2-SD 3.58Å; W222-M226 VanDerWaalsContact CH2-SD 3.58Å; W222-M226 HydrophobicContact CZ2-CE 4.12Å; W222-M226 HydrophobicContact CZ2-CG 3.7Å; W222-M226 HydrophobicContact CZ2-SD 3.51Å; W222-M226 VanDerWaalsContact CZ2-SD 3.51Å; W222-M226 HydrophobicContact CZ3-CE 3.58Å; W222-M226 HydrophobicContact CZ3-SD 4.11Å; W222-M226 WeakPolarHBondContact O-CB 3.5Å; W222-M226 WeakPolarHBondContact O-CG 3.43Å; W222-M226 PolarHBondContact O-N 2.94Å; W222-L257 HydrophobicContact CB-CD2 4.34Å; W222-L257 HydrophobicContact CE3-CD2 3.79Å; W222-L260 HydrophobicContact CB-CD1 4.15Å
223A90.3Very high92.9Very high38 Ų3851.4 Ų51.431%0.31427%0.268SS..Hα-helixtrans-66.8-31.1178.100000113.4M219 E220 R227M219-A223 WeakPolarHBondContact O-CB 3.26Å; M219-A223 PolarHBondContact O-N 3.37Å; E220-A223 PolarHBondContact O-N 3.36Å; A223-R227 WeakPolarHBondContact O-CG 3.22Å; A223-R227 PolarHBondContact O-N 3.43Å; A223-R227 PolarHBondContact O-NE 3.23Å; A223-R227 VanDerWaalsContact O-NE 3.08Å
224A92.5Very high92.7Very high27 Ų2748.3 Ų48.322%0.22325%0.247CC..Hα-helixtrans-68.4-48.5170.200000111.7E220 H221 W222 M226 R227 A228E220-A224 PolarHBondContact O-N 3.16Å; H221-A224 PolarHBondContact O-N 2.98Å; W222-A224 VanDerWaalsContact C-N 3.34Å; W222-A224 PolarHBondContact O-N 3.43Å; A224-M226 PolarHBondContact O-N 2.93Å; A224-R227 PolarHBondContact O-N 3.03Å; A224-A228 PolarHBondContact O-N 3.22Å; A224-A228 VanDerWaalsContact O-N 3.11Å
225A94.6Very high92.2Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-62-39.5178.400000112.7H221 W222 A228 W229 L251 L252 L257H221-A225 WeakPolarHBondContact O-CB 3.45Å; H221-A225 PolarHBondContact O-N 2.97Å; W222-A225 PolarHBondContact O-N 3.32Å; A225-A228 PolarHBondContact O-N 2.98Å; A225-W229 VanDerWaalsContact O-CB 3.25Å; A225-W229 WeakPolarHBondContact O-CB 3.35Å; A225-W229 PolarHBondContact O-N 3.35Å; A225-L251 WeakPolarHBondContact CB-O 3.49Å; A225-L252 HydrophobicContact CB-CD2 4.38Å; A225-L252 WeakPolarHBondContact O-CD2 3.32Å; A225-L257 HydrophobicContact CB-CD1 3.74Å; A225-L257 HydrophobicContact CB-CD2 4.42Å
226M92.5Very high92.1Very high13 Ų1350.9 Ų50.96%0.06427%0.265CS..Hα-helixtrans-68.5-34.3177.5-69.9-55.69500112.7I194 W222 A224 W229 E230I194-M226 HydrophobicContact CB-CE 4.45Å; I194-M226 HydrophobicContact CD1-CE 3.86Å; I194-M226 HydrophobicContact CG1-CE 3.89Å; I194-M226 HydrophobicContact CG2-CE 3.81Å; W222-M226 HydrophobicContact CD2-CE 4.44Å; W222-M226 HydrophobicContact CD2-CG 3.92Å; W222-M226 HydrophobicContact CD2-SD 4.5Å; W222-M226 HydrophobicContact CE3-CE 3.99Å; W222-M226 HydrophobicContact CE3-CG 4.4Å; W222-M226 HydrophobicContact CG-CG 4.39Å; W222-M226 HydrophobicContact CH2-CE 3.66Å; W222-M226 HydrophobicContact CH2-CG 4.23Å; W222-M226 HydrophobicContact CH2-SD 3.58Å; W222-M226 VanDerWaalsContact CH2-SD 3.58Å; W222-M226 HydrophobicContact CZ2-CE 4.12Å; W222-M226 HydrophobicContact CZ2-CG 3.7Å; W222-M226 HydrophobicContact CZ2-SD 3.51Å; W222-M226 VanDerWaalsContact CZ2-SD 3.51Å; W222-M226 HydrophobicContact CZ3-CE 3.58Å; W222-M226 HydrophobicContact CZ3-SD 4.11Å; W222-M226 WeakPolarHBondContact O-CB 3.5Å; W222-M226 WeakPolarHBondContact O-CG 3.43Å; W222-M226 PolarHBondContact O-N 2.94Å; A224-M226 PolarHBondContact O-N 2.93Å; M226-W229 HydrophobicContact CE-CB 4.37Å; M226-W229 PolarHBondContact O-N 3.4Å; M226-E230 WeakPolarHBondContact O-CB 3.46Å; M226-E230 VanDerWaalsContact O-CG 3.29Å; M226-E230 WeakPolarHBondContact O-CG 3.22Å; M226-E230 PolarHBondContact O-N 3.43Å
227R91.6Very high92.1Very high156 Ų15649.1 Ų49.159%0.58925%0.248SC*.Hα-helixtrans-63.7-51.1171.8-76.2178.8-71.7162.2-1.7111.3A223 A224 W229 E230 E231A223-R227 WeakPolarHBondContact O-CG 3.22Å; A223-R227 PolarHBondContact O-N 3.43Å; A223-R227 PolarHBondContact O-NE 3.23Å; A223-R227 VanDerWaalsContact O-NE 3.08Å; A224-R227 PolarHBondContact O-N 3.03Å; R227-W229 PolarHBondContact O-N 2.94Å; R227-E230 PolarHBondContact O-N 2.92Å; R227-E230 VanDerWaalsContact O-N 3.08Å; R227-E231 PolarHBondContact O-N 3.48Å; R227-E231 VanDerWaalsContact O-N 3.15Å
228A93.2Very high92Very high4 Ų448.4 Ų48.43%0.03324%0.241CC..Hα-helixtrans-60.2-31.9176.100000112.8A224 A225 F232 V248 L251 L252A224-A228 PolarHBondContact O-N 3.22Å; A224-A228 VanDerWaalsContact O-N 3.11Å; A225-A228 PolarHBondContact O-N 2.98Å; A228-F232 VanDerWaalsContact O-CD2 3.23Å; A228-F232 WeakPolarHBondContact O-CD2 3.47Å; A228-F232 VanDerWaalsContact O-CE2 3.27Å; A228-F232 WeakPolarHBondContact O-CE2 3.2Å; A228-V248 HydrophobicContact CB-CG1 4.35Å; A228-L251 HydrophobicContact CB-CB 4.49Å; A228-L251 HydrophobicContact CB-CD1 4.06Å; A228-L252 HydrophobicContact CB-CD2 4.41Å
229W93.6Very high91.9Very high11 Ų1148.8 Ų48.84%0.04224%0.243CC..Hα-helixtrans-75.2-35.5174.3-173.479.1000113A225 M226 R227 E231 F232 R237 L252 L373A225-W229 VanDerWaalsContact O-CB 3.25Å; A225-W229 WeakPolarHBondContact O-CB 3.35Å; A225-W229 PolarHBondContact O-N 3.35Å; M226-W229 HydrophobicContact CE-CB 4.37Å; M226-W229 PolarHBondContact O-N 3.4Å; R227-W229 PolarHBondContact O-N 2.94Å; W229-E231 VanDerWaalsContact C-N 3.28Å; W229-E231 PolarHBondContact O-N 3.21Å; W229-F232 PolarHBondContact O-N 3.06Å; W229-R237 HydrophobicContact CD2-CB 4.47Å; W229-R237 HydrophobicContact CH2-CB 4.08Å; W229-R237 HydrophobicContact CZ2-CB 3.61Å; W229-R237 HydrophobicContact CZ2-CG 4.36Å; W229-R237 PolarHBondContact NE1-O 3.03Å; W229-L252 HydrophobicContact CB-CD2 3.92Å; W229-L373 HydrophobicContact CE3-CD2 4.14Å; W229-L373 HydrophobicContact CH2-CD2 3.59Å; W229-L373 HydrophobicContact CZ3-CD2 3.38Å
230E90.2Very high92Very high61 Ų6147.4 Ų47.429%0.28524%0.236SC..Hα-helixtrans-67.4-24.8175.6-79.6179.4161.800112.7M226 R227 F232 R237 R372M226-E230 WeakPolarHBondContact O-CB 3.46Å; M226-E230 VanDerWaalsContact O-CG 3.29Å; M226-E230 WeakPolarHBondContact O-CG 3.22Å; M226-E230 PolarHBondContact O-N 3.43Å; R227-E230 PolarHBondContact O-N 2.92Å; R227-E230 VanDerWaalsContact O-N 3.08Å; E230-F232 VanDerWaalsContact C-N 3.27Å; E230-F232 PolarHBondContact O-N 3.28Å; E230-R237 PolarHBondContact O-NH2 2.84Å; E230-R372 WeakPolarHBondContact OE1-CD 3.31Å; E230-R372 IonicContact OE1-CZ 2.66Å; E230-R372 IonicContact OE1-NE 3.64Å; E230-R372 IonicContact OE1-NH1 2.73Å; E230-R372 PolarHBondContact OE1-NH1 3.45Å; E230-R372 IonicContact OE2-NH1 2.75Å; E230-R372 PolarHBondContact OE2-NH1 2.93Å
231E92.2Very high92.1Very high153 Ų15341.3 Ų41.372%0.71521%0.207SC*.THydrogen-bonded Turntrans-65.1-24.8174.6-72.9169.2-161.300113.7R227 W229R227-E231 PolarHBondContact O-N 3.48Å; R227-E231 VanDerWaalsContact O-N 3.15Å; W229-E231 VanDerWaalsContact C-N 3.28Å; W229-E231 PolarHBondContact O-N 3.21Å
232F92.7Very high92.1Very high27 Ų2738.3 Ų38.312%0.11819%0.194CC..SBendtrans-72.4145.3175.9-68.6-89.9000111.7A228 W229 E230 R237 A240 I243 A244 V248 L252A228-F232 VanDerWaalsContact O-CD2 3.23Å; A228-F232 WeakPolarHBondContact O-CD2 3.47Å; A228-F232 VanDerWaalsContact O-CE2 3.27Å; A228-F232 WeakPolarHBondContact O-CE2 3.2Å; W229-F232 PolarHBondContact O-N 3.06Å; E230-F232 VanDerWaalsContact C-N 3.27Å; E230-F232 PolarHBondContact O-N 3.28Å; F232-R237 HydrophobicContact CB-CG 3.91Å; F232-R237 WeakPolarHBondContact O-CG 3.27Å; F232-R237 PolarHBondContact O-NE 3.4Å; F232-A240 HydrophobicContact CD1-CB 4.16Å; F232-A240 HydrophobicContact CD2-CB 3.64Å; F232-A240 HydrophobicContact CE1-CB 4.28Å; F232-A240 HydrophobicContact CE2-CB 3.76Å; F232-A240 HydrophobicContact CG-CB 3.85Å; F232-A240 HydrophobicContact CZ-CB 4.08Å; F232-I243 HydrophobicContact CD1-CD1 3.75Å; F232-I243 HydrophobicContact CD1-CG1 4.04Å; F232-I243 HydrophobicContact CE1-CD1 3.98Å; F232-I243 HydrophobicContact CE1-CG1 3.81Å; F232-A244 HydrophobicContact CZ-CB 3.92Å; F232-V248 HydrophobicContact CE2-CG1 3.88Å; F232-V248 HydrophobicContact CZ-CG1 3.92Å; F232-L252 HydrophobicContact CE2-CD1 4.35Å
233P90.7Very high92.1Very high53 Ų5339.2 Ų39.234%0.34420%0.198SC..  trans-51.5136.3173.2-28.235.6000111.8D235 K236 R237P233-D235 VanDerWaalsContact CB-OD1 3.25Å; P233-D235 WeakPolarHBondContact CB-OD1 3.44Å; P233-D235 PolarHBondContact O-N 3.41Å; P233-D235 VanDerWaalsContact O-N 3.07Å; P233-K236 HydrophobicContact CB-CB 4.32Å; P233-K236 HydrophobicContact CB-CG 4.36Å; P233-K236 CarbonylContact O-C 3.55Å; P233-K236 WeakPolarHBondContact O-CA 3.23Å; P233-K236 PolarHBondContact O-N 2.83Å; P233-R237 WeakPolarHBondContact O-CG 3.23Å; P233-R237 PolarHBondContact O-N 3.22Å
234P85.9Confident92.3Very high37 Ų3737.4 Ų37.424%0.2418%0.184CC..THydrogen-bonded Turntrans-55.8-32.2-169.4-27.534.5000115.5P376 P377P234-P376 HydrophobicContact CB-CB 3.85Å; P234-P377 HydrophobicContact CG-CG 4.26Å
235D85.9Confident92.3Very high95 Ų9538.3 Ų38.351%0.50819%0.188SC..THydrogen-bonded Turntrans-72.9-29174.659.9-47.1000113.5P233P233-D235 VanDerWaalsContact CB-OD1 3.25Å; P233-D235 WeakPolarHBondContact CB-OD1 3.44Å; P233-D235 PolarHBondContact O-N 3.41Å; P233-D235 VanDerWaalsContact O-N 3.07Å
236K91Very high92.2Very high40 Ų4042.3 Ų42.317%0.17421%0.21CC..THydrogen-bonded Turntrans-95.9-12.2179.7-58.4-168.2-176.3-169.60114.1D163 L166 P233 L238 F239 A240 I243D163-K236 WeakPolarHBondContact OD1-CE 3.46Å; D163-K236 IonicContact OD1-NZ 2.69Å; D163-K236 PolarHBondContact OD1-NZ 2.8Å; D163-K236 IonicContact OD2-NZ 3.82Å; D163-K236 PolarHBondContact OD2-NZ 3.49Å; L166-K236 HydrophobicContact CD1-CG 4.44Å; P233-K236 HydrophobicContact CB-CB 4.32Å; P233-K236 HydrophobicContact CB-CG 4.36Å; P233-K236 CarbonylContact O-C 3.55Å; P233-K236 WeakPolarHBondContact O-CA 3.23Å; P233-K236 PolarHBondContact O-N 2.83Å; K236-L238 VanDerWaalsContact C-N 3.3Å; K236-L238 PolarHBondContact O-N 3.33Å; K236-F239 CarbonylContact O-C 3.6Å; K236-F239 WeakPolarHBondContact O-CA 3.49Å; K236-F239 WeakPolarHBondContact O-CB 3.32Å; K236-F239 PolarHBondContact O-N 3.24Å; K236-A240 PolarHBondContact O-N 3.02Å; K236-I243 HydrophobicContact CB-CD1 4.07Å; K236-I243 HydrophobicContact CD-CD1 4.31Å
237R92.2Very high92.1Very high30 Ų3047.9 Ų47.911%0.11324%0.24CC..G310 helixtrans-52-40.3-178.8-80.8-179.3-170.6175.7-4.2114.7W229 E230 F232 P233 F239 A240W229-R237 HydrophobicContact CD2-CB 4.47Å; W229-R237 HydrophobicContact CH2-CB 4.08Å; W229-R237 HydrophobicContact CZ2-CB 3.61Å; W229-R237 HydrophobicContact CZ2-CG 4.36Å; W229-R237 PolarHBondContact NE1-O 3.03Å; E230-R237 PolarHBondContact O-NH2 2.84Å; F232-R237 HydrophobicContact CB-CG 3.91Å; F232-R237 WeakPolarHBondContact O-CG 3.27Å; F232-R237 PolarHBondContact O-NE 3.4Å; P233-R237 WeakPolarHBondContact O-CG 3.23Å; P233-R237 PolarHBondContact O-N 3.22Å; R237-F239 PolarHBondContact O-N 2.94Å; R237-F239 VanDerWaalsContact O-N 3.14Å; R237-A240 WeakPolarHBondContact O-CB 3.44Å; R237-A240 PolarHBondContact O-N 2.89Å; R237-A240 VanDerWaalsContact O-N 3.16Å
238L92.1Very high92.3Very high51 Ų5142.1 Ų42.127%0.26722%0.222SC..G310 helixtrans-62.5-21177.5-57.2178.5000112.6Q187 Y188 K236Q187-L238 HydrophobicContact CG-CB 4.07Å; Q187-L238 HydrophobicContact CG-CD1 4.13Å; Y188-L238 WeakPolarHBondContact CA-O 3.33Å; Y188-L238 HydrophobicContact CE1-CD2 4.21Å; Y188-L238 HydrophobicContact CE2-CD2 3.71Å; Y188-L238 VanDerWaalsContact CZ-CD2 3.47Å; Y188-L238 PolarHBondContact N-O 3.21Å; Y188-L238 VanDerWaalsContact OH-CD2 3.26Å; Y188-L238 WeakPolarHBondContact OH-CD2 3.39Å; K236-L238 VanDerWaalsContact C-N 3.3Å; K236-L238 PolarHBondContact O-N 3.33Å
239F94.8Very high92.3Very high9 Ų943.5 Ų43.54%0.03923%0.227CC..G310 helixtrans-107.89-178.2-51.6-77.4000112.7L162 L166 L186 Q187 K236 R237 G241 L242 I243L162-F239 HydrophobicContact CD1-CB 3.85Å; L162-F239 HydrophobicContact CD1-CD1 3.77Å; L162-F239 HydrophobicContact CD1-CD2 4.09Å; L162-F239 HydrophobicContact CD1-CE1 4.34Å; L162-F239 HydrophobicContact CD1-CG 3.62Å; L162-F239 HydrophobicContact CD2-CB 3.53Å; L162-F239 HydrophobicContact CD2-CD2 4.5Å; L162-F239 HydrophobicContact CD2-CG 4.12Å; L162-F239 HydrophobicContact CG-CB 4.36Å; L166-F239 HydrophobicContact CD1-CD2 4.49Å; L166-F239 HydrophobicContact CD2-CD2 4.49Å; L166-F239 HydrophobicContact CD2-CE2 3.78Å; L166-F239 HydrophobicContact CD2-CZ 4.02Å; L186-F239 HydrophobicContact CB-CD1 4.08Å; L186-F239 HydrophobicContact CB-CE1 4.01Å; Q187-F239 HydrophobicContact CG-CE1 3.9Å; Q187-F239 HydrophobicContact CG-CZ 3.92Å; K236-F239 CarbonylContact O-C 3.6Å; K236-F239 WeakPolarHBondContact O-CA 3.49Å; K236-F239 WeakPolarHBondContact O-CB 3.32Å; K236-F239 PolarHBondContact O-N 3.24Å; R237-F239 PolarHBondContact O-N 2.94Å; R237-F239 VanDerWaalsContact O-N 3.14Å; F239-G241 PolarHBondContact O-N 3.2Å; F239-G241 VanDerWaalsContact O-N 3.12Å; F239-L242 HydrophobicContact CB-CD1 4.24Å; F239-L242 HydrophobicContact CD1-CD1 4.13Å; F239-L242 WeakPolarHBondContact O-CA 3.4Å; F239-L242 VanDerWaalsContact O-CB 3.25Å; F239-L242 WeakPolarHBondContact O-CB 3.16Å; F239-L242 PolarHBondContact O-N 3.36Å; F239-I243 PolarHBondContact O-N 3.47Å
240A95.2Very high92.2Very high0 Ų048.9 Ų48.90%025%0.252CS..Hα-helixtrans-53.2-36.7-177.400000113.2I191 F232 K236 R237 L242 I243 A244 L252I191-A240 HydrophobicContact CD1-CB 4.1Å; F232-A240 HydrophobicContact CD1-CB 4.16Å; F232-A240 HydrophobicContact CD2-CB 3.64Å; F232-A240 HydrophobicContact CE1-CB 4.28Å; F232-A240 HydrophobicContact CE2-CB 3.76Å; F232-A240 HydrophobicContact CG-CB 3.85Å; F232-A240 HydrophobicContact CZ-CB 4.08Å; K236-A240 PolarHBondContact O-N 3.02Å; R237-A240 WeakPolarHBondContact O-CB 3.44Å; R237-A240 PolarHBondContact O-N 2.89Å; R237-A240 VanDerWaalsContact O-N 3.16Å; A240-L242 PolarHBondContact O-N 3.17Å; A240-L242 VanDerWaalsContact O-N 3.16Å; A240-I243 PolarHBondContact O-N 3.34Å; A240-A244 VanDerWaalsContact O-CB 3.23Å; A240-A244 WeakPolarHBondContact O-CB 3.46Å; A240-A244 PolarHBondContact O-N 3.02Å; A240-L252 HydrophobicContact CB-CD1 4.35Å
241G93.9Very high92.4Very high0 Ų050 Ų500%026%0.26CS..Hα-helixtrans-63.6-17.7175.600000115R190 I191 F239R190-G241 VanDerWaalsContact CD-O 3.28Å; R190-G241 WeakPolarHBondContact CD-O 3.33Å; R190-G241 PolarHBondContact NE-O 3.15Å; I191-G241 VanDerWaalsContact CG2-CA 3.49Å; F239-G241 PolarHBondContact O-N 3.2Å; F239-G241 VanDerWaalsContact O-N 3.12Å
242L94.9Very high92.5Very high0 Ų042.7 Ų42.70%023%0.225CC..Hα-helixtrans-87.5-43.5174.1-54.7180000111.3L102 R158 L186 A189 R190 F239 A240L102-L242 HydrophobicContact CD1-CB 4.39Å; L102-L242 HydrophobicContact CD2-CB 4.45Å; L102-L242 HydrophobicContact CD2-CD1 3.93Å; L102-L242 HydrophobicContact CG-CB 4.24Å; L102-L242 HydrophobicContact CG-CD1 4.03Å; L102-L242 HydrophobicContact CG-CD2 4.11Å; L102-L242 HydrophobicContact CG-CG 4.36Å; L102-L242 WeakPolarHBondContact O-CD2 3.24Å; R158-L242 WeakPolarHBondContact CD-O 3.25Å; R158-L242 PolarHBondContact NH1-O 3.41Å; L186-L242 HydrophobicContact CB-CD1 3.85Å; L186-L242 HydrophobicContact CD1-CD1 4.49Å; L186-L242 HydrophobicContact CD2-CD1 3.9Å; L186-L242 HydrophobicContact CG-CD1 4.29Å; A189-L242 HydrophobicContact CB-CD1 4.49Å; A189-L242 HydrophobicContact CB-CD2 3.64Å; A189-L242 HydrophobicContact CB-CG 4.29Å; R190-L242 HydrophobicContact CG-CD2 4.45Å; F239-L242 HydrophobicContact CB-CD1 4.24Å; F239-L242 HydrophobicContact CD1-CD1 4.13Å; F239-L242 WeakPolarHBondContact O-CA 3.4Å; F239-L242 VanDerWaalsContact O-CB 3.25Å; F239-L242 WeakPolarHBondContact O-CB 3.16Å; F239-L242 PolarHBondContact O-N 3.36Å; A240-L242 PolarHBondContact O-N 3.17Å; A240-L242 VanDerWaalsContact O-N 3.16Å
243I95.1Very high92.4Very high18 Ų1842.6 Ų42.69%0.09223%0.228CC..Hα-helixtrans-100.1-5.3-171.454.7166.3000115.1I159 L162 F232 K236 F239 A240I159-I243 HydrophobicContact CB-CG2 4.41Å; I159-I243 HydrophobicContact CG1-CB 3.95Å; I159-I243 HydrophobicContact CG1-CG2 3.7Å; L162-I243 HydrophobicContact CB-CG2 4.31Å; L162-I243 HydrophobicContact CD2-CD1 4.22Å; L162-I243 HydrophobicContact CD2-CG1 4.44Å; L162-I243 HydrophobicContact CD2-CG2 3.63Å; F232-I243 HydrophobicContact CD1-CD1 3.75Å; F232-I243 HydrophobicContact CD1-CG1 4.04Å; F232-I243 HydrophobicContact CE1-CD1 3.98Å; F232-I243 HydrophobicContact CE1-CG1 3.81Å; K236-I243 HydrophobicContact CB-CD1 4.07Å; K236-I243 HydrophobicContact CD-CD1 4.31Å; F239-I243 PolarHBondContact O-N 3.47Å; A240-I243 PolarHBondContact O-N 3.34Å
244A94.5Very high92.3Very high1 Ų141 Ų411%0.00822%0.219CC..  trans-60.5141.5173.400000112.5R158 F232 A240 V248 F249 L252R158-A244 PolarHBondContact NH1-O 3.22Å; F232-A244 HydrophobicContact CZ-CB 3.92Å; A240-A244 VanDerWaalsContact O-CB 3.23Å; A240-A244 WeakPolarHBondContact O-CB 3.46Å; A240-A244 PolarHBondContact O-N 3.02Å; A244-V248 HydrophobicContact CB-CB 4.15Å; A244-V248 HydrophobicContact CB-CG1 3.95Å; A244-F249 HydrophobicContact CB-CB 4.08Å; A244-L252 HydrophobicContact CB-CD1 4.28Å
245S92.7Very high92.5Very high46 Ų4644.8 Ų44.832%0.32224%0.237SC..  trans-62.5163.6159.361.80000110.2D247 V248 F249S245-D247 VanDerWaalsContact C-N 3.32Å; S245-D247 PolarHBondContact O-N 2.68Å; S245-V248 PolarHBondContact O-N 3.49Å; S245-V248 WeakPolarHBondContact OG-CG2 3.28Å; S245-F249 WeakPolarHBondContact O-CB 3.42Å; S245-F249 PolarHBondContact O-N 3.39Å
246D90.7Very high92.9Very high84 Ų8442.8 Ų42.845%0.44922%0.224SC..Hα-helixtrans-62.5-39-178-73.3-12.6000111.9V248 F249 H250D246-V248 PolarHBondContact O-N 3.07Å; D246-F249 PolarHBondContact O-N 3.23Å; D246-H250 PolarHBondContact O-CD2 3.33Å; D246-H250 PolarHBondContact O-N 3.39Å
247D92.1Very high93Very high130 Ų13041 Ų4170%0.69522%0.216SC*.Hα-helixtrans-59.5-48176-57.9-42.6000112.5S245 H250S245-D247 VanDerWaalsContact C-N 3.32Å; S245-D247 PolarHBondContact O-N 2.68Å; D247-H250 PolarHBondContact O-N 3.31Å
248V94.5Very high93.1Very high34 Ų3444.2 Ų44.221%0.20623%0.233CC..Hα-helixtrans-67.7-38.9176.7173.90000110.4A228 F232 A244 S245 D246 H250 L251 L252A228-V248 HydrophobicContact CB-CG1 4.35Å; F232-V248 HydrophobicContact CE2-CG1 3.88Å; F232-V248 HydrophobicContact CZ-CG1 3.92Å; A244-V248 HydrophobicContact CB-CB 4.15Å; A244-V248 HydrophobicContact CB-CG1 3.95Å; S245-V248 PolarHBondContact O-N 3.49Å; S245-V248 WeakPolarHBondContact OG-CG2 3.28Å; D246-V248 PolarHBondContact O-N 3.07Å; V248-H250 VanDerWaalsContact C-N 3.3Å; V248-H250 PolarHBondContact O-N 3.3Å; V248-L251 WeakPolarHBondContact O-CB 3.42Å; V248-L251 PolarHBondContact O-N 2.81Å; V248-L251 VanDerWaalsContact O-N 3.15Å; V248-L252 HydrophobicContact CG1-CD1 4.13Å; V248-L252 HydrophobicContact CG1-CG 4.48Å; V248-L252 WeakPolarHBondContact O-CG 3.39Å; V248-L252 PolarHBondContact O-N 3.02Å
249F93.2Very high93.3Very high34 Ų3443.9 Ų43.915%0.14923%0.228CC..Hα-helixtrans-63.1-35.4178-174.6-100.3000112.2R190 I191 A244 S245 D246 L251 L252 S253R190-F249 HydrophobicContact CB-CE2 3.59Å; R190-F249 HydrophobicContact CB-CZ 3.9Å; I191-F249 HydrophobicContact CG2-CE2 4.08Å; A244-F249 HydrophobicContact CB-CB 4.08Å; S245-F249 WeakPolarHBondContact O-CB 3.42Å; S245-F249 PolarHBondContact O-N 3.39Å; D246-F249 PolarHBondContact O-N 3.23Å; F249-L251 VanDerWaalsContact C-N 3.33Å; F249-L251 PolarHBondContact O-N 3.35Å; F249-L252 CarbonylContact O-C 3.45Å; F249-L252 PolarHBondContact O-N 2.89Å; F249-S253 WeakPolarHBondContact CE1-OG 3.15Å; F249-S253 WeakPolarHBondContact O-CB 3.45Å; F249-S253 PolarHBondContact O-N 3.15Å; F249-S253 PolarHBondContact O-OG 2.95Å
250H92.8Very high93.3Very high124 Ų12443.4 Ų43.457%0.57423%0.226SC*.Hα-helixtrans-62.2-36.3173.8-78.2-58.8000112.9D246 D247 V248 S253 S254D246-H250 PolarHBondContact O-CD2 3.33Å; D246-H250 PolarHBondContact O-N 3.39Å; D247-H250 PolarHBondContact O-N 3.31Å; V248-H250 VanDerWaalsContact C-N 3.3Å; V248-H250 PolarHBondContact O-N 3.3Å; H250-S253 PolarHBondContact O-N 2.82Å; H250-S254 PolarHBondContact O-N 3.46Å; H250-S254 VanDerWaalsContact O-N 3.12Å
251L93.7Very high93.4Very high83 Ų8343.8 Ų43.844%0.43523%0.228SC..Hα-helixtrans-65.3-43.6172.2-60.2176000111.4A225 A228 V248 F249 S253 L257A225-L251 WeakPolarHBondContact CB-O 3.49Å; A228-L251 HydrophobicContact CB-CB 4.49Å; A228-L251 HydrophobicContact CB-CD1 4.06Å; V248-L251 WeakPolarHBondContact O-CB 3.42Å; V248-L251 PolarHBondContact O-N 2.81Å; V248-L251 VanDerWaalsContact O-N 3.15Å; F249-L251 VanDerWaalsContact C-N 3.33Å; F249-L251 PolarHBondContact O-N 3.35Å; L251-S253 VanDerWaalsContact C-N 3.26Å; L251-S253 PolarHBondContact O-N 2.99Å; L251-L257 VanDerWaalsContact O-CD1 3.27Å; L251-L257 WeakPolarHBondContact O-CD1 3.46Å
252L93.8Very high93.5Very high0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-73.8-9.8-178.8-58.1175.4000114.4I191 I194 A225 A228 W229 F232 A240 A244 V248 F249 L257I191-L252 HydrophobicContact CG2-CB 3.86Å; I191-L252 HydrophobicContact CG2-CD1 4.34Å; I194-L252 HydrophobicContact CD1-CB 4.29Å; I194-L252 HydrophobicContact CD1-CD2 3.8Å; A225-L252 HydrophobicContact CB-CD2 4.38Å; A225-L252 WeakPolarHBondContact O-CD2 3.32Å; A228-L252 HydrophobicContact CB-CD2 4.41Å; W229-L252 HydrophobicContact CB-CD2 3.92Å; F232-L252 HydrophobicContact CE2-CD1 4.35Å; A240-L252 HydrophobicContact CB-CD1 4.35Å; A244-L252 HydrophobicContact CB-CD1 4.28Å; V248-L252 HydrophobicContact CG1-CD1 4.13Å; V248-L252 HydrophobicContact CG1-CG 4.48Å; V248-L252 WeakPolarHBondContact O-CG 3.39Å; V248-L252 PolarHBondContact O-N 3.02Å; F249-L252 CarbonylContact O-C 3.45Å; F249-L252 PolarHBondContact O-N 2.89Å; L252-L257 VanDerWaalsContact C-CD1 3.46Å; L252-L257 WeakPolarHBondContact O-CD1 3.47Å
253S90.1Very high93.6Very high26 Ų2644.3 Ų44.318%0.18223%0.23CC..THydrogen-bonded Turntrans-134.316.1-174.164.80000115.4F249 H250 L251 Q258F249-S253 WeakPolarHBondContact CE1-OG 3.15Å; F249-S253 WeakPolarHBondContact O-CB 3.45Å; F249-S253 PolarHBondContact O-N 3.15Å; F249-S253 PolarHBondContact O-OG 2.95Å; H250-S253 PolarHBondContact O-N 2.82Å; L251-S253 VanDerWaalsContact C-N 3.26Å; L251-S253 PolarHBondContact O-N 2.99Å; S253-Q258 PolarHBondContact O-NE2 3.31Å
254S89.8Confident93.7Very high20 Ų2043.4 Ų43.414%0.1423%0.226CC..  trans-55.7158.5-177.566.10000114.7H250 Q256 L257 Q258H250-S254 PolarHBondContact O-N 3.46Å; H250-S254 VanDerWaalsContact O-N 3.12Å; S254-Q256 PolarHBondContact O-N 3.24Å; S254-L257 WeakPolarHBondContact O-CA 3.25Å; S254-L257 WeakPolarHBondContact O-CB 3.26Å; S254-L257 PolarHBondContact O-N 3.34Å; S254-L257 WeakPolarHBondContact OG-CG 3Å; S254-Q258 WeakPolarHBondContact O-CG 3.47Å; S254-Q258 PolarHBondContact O-N 3.32Å
255N90.7Very high93.8Very high115 Ų11543.5 Ų43.562%0.61523%0.226SC*.Hα-helixtrans-61.4-32.6-178.1-66.1-14.2000112.6Q258 R259N255-Q258 WeakPolarHBondContact O-CB 3.47Å; N255-Q258 PolarHBondContact O-N 2.76Å; N255-Q258 VanDerWaalsContact O-N 3.16Å; N255-Q258 PolarHBondContact OD1-NE2 2.87Å; N255-R259 PolarHBondContact O-N 3.02Å
256Q93.3Very high93.9Very high54 Ų5443.5 Ų43.525%0.25222%0.221SC..Hα-helixtrans-65.2-42.9173.5-71.677.14.300111.4T217 D218 H221 S254 Q258 R259 L260T217-Q256 HydrophobicContact CG2-CG 4.4Å; D218-Q256 HydrophobicContact CB-CB 4.36Å; D218-Q256 WeakPolarHBondContact OD1-CA 3.47Å; H221-Q256 HydrophobicContact CB-CB 3.7Å; H221-Q256 HydrophobicContact CB-CG 4.25Å; H221-Q256 PolarHBondContact CD2-OE1 2.84Å; S254-Q256 PolarHBondContact O-N 3.24Å; Q256-Q258 PolarHBondContact O-N 3.35Å; Q256-R259 WeakPolarHBondContact O-CB 3.18Å; Q256-R259 PolarHBondContact O-N 3.22Å; Q256-L260 PolarHBondContact O-N 3.16Å
257L94.1Very high94.1Very high1 Ų139.5 Ų39.51%0.00520%0.2CC..Hα-helixtrans-63.5-31171-67.6179.3000112.2I197 W222 A225 L251 L252 S254 L260 T261I197-L257 HydrophobicContact CD1-CD2 4.04Å; W222-L257 HydrophobicContact CB-CD2 4.34Å; W222-L257 HydrophobicContact CE3-CD2 3.79Å; A225-L257 HydrophobicContact CB-CD1 3.74Å; A225-L257 HydrophobicContact CB-CD2 4.42Å; L251-L257 VanDerWaalsContact O-CD1 3.27Å; L251-L257 WeakPolarHBondContact O-CD1 3.46Å; L252-L257 VanDerWaalsContact C-CD1 3.46Å; L252-L257 WeakPolarHBondContact O-CD1 3.47Å; S254-L257 WeakPolarHBondContact O-CA 3.25Å; S254-L257 WeakPolarHBondContact O-CB 3.26Å; S254-L257 PolarHBondContact O-N 3.34Å; S254-L257 WeakPolarHBondContact OG-CG 3Å; L257-L260 HydrophobicContact CD2-CD1 4.43Å; L257-L260 PolarHBondContact O-N 3.04Å; L257-T261 VanDerWaalsContact O-CB 3.29Å; L257-T261 WeakPolarHBondContact O-CB 3.46Å; L257-T261 PolarHBondContact O-N 3.42Å; L257-T261 PolarHBondContact O-OG1 2.98Å
258Q93.3Very high94.2Very high98 Ų9833.3 Ų33.346%0.45817%0.167SC..Hα-helixtrans-67.6-39.6174.1-63.2168.635.200111.6S253 S254 N255 Q256 T261 Y262S253-Q258 PolarHBondContact O-NE2 3.31Å; S254-Q258 WeakPolarHBondContact O-CG 3.47Å; S254-Q258 PolarHBondContact O-N 3.32Å; N255-Q258 WeakPolarHBondContact O-CB 3.47Å; N255-Q258 PolarHBondContact O-N 2.76Å; N255-Q258 VanDerWaalsContact O-N 3.16Å; N255-Q258 PolarHBondContact OD1-NE2 2.87Å; Q256-Q258 PolarHBondContact O-N 3.35Å; Q258-T261 WeakPolarHBondContact O-CB 3.34Å; Q258-T261 PolarHBondContact O-N 3.23Å; Q258-Y262 PolarHBondContact O-N 3.05Å
259R95.4Very high94.2Very high44 Ų4434.3 Ų34.317%0.16617%0.17CC..Hα-helixtrans-59.8-48.9170.9-74.5173.973.4-120.65.8111.8Y214 D218 N255 Q256 T261 Y262 I263 P283 D285Y214-R259 VanDerWaalsContact CZ-NH2 3.33Å; Y214-R259 PolarHBondContact OH-NH2 3.45Å; D218-R259 IonicContact OD1-CZ 3.19Å; D218-R259 IonicContact OD1-NH1 3.11Å; D218-R259 PolarHBondContact OD1-NH1 2.76Å; D218-R259 IonicContact OD2-CZ 2.71Å; D218-R259 IonicContact OD2-NH1 2.65Å; D218-R259 PolarHBondContact OD2-NH1 2.89Å; N255-R259 PolarHBondContact O-N 3.02Å; Q256-R259 WeakPolarHBondContact O-CB 3.18Å; Q256-R259 PolarHBondContact O-N 3.22Å; R259-T261 VanDerWaalsContact C-N 3.29Å; R259-T261 PolarHBondContact O-N 3.46Å; R259-Y262 PolarHBondContact O-N 3.35Å; R259-I263 WeakPolarHBondContact O-CG1 3.44Å; R259-I263 PolarHBondContact O-N 3.4Å; R259-I263 VanDerWaalsContact O-N 3.08Å; R259-P283 HydrophobicContact CG-CB 3.65Å; R259-P283 HydrophobicContact CG-CG 4.32Å; R259-D285 IonicContact CZ-OD2 3.18Å; R259-D285 IonicContact NE-OD1 3.21Å; R259-D285 PolarHBondContact NE-OD1 3.05Å; R259-D285 IonicContact NE-OD2 2.69Å; R259-D285 PolarHBondContact NE-OD2 3.38Å; R259-D285 IonicContact NH2-OD2 3.95Å; R259-D285 PolarHBondContact NH2-OD2 3.42Å
260L96.4Very high94Very high0 Ų037.6 Ų37.60%019%0.188CC..Hα-helixtrans-61.8-35.8173.9-66.6179.9000112.6I197 L201 L210 L215 D218 W222 Q256 L257 I263 A264I197-L260 HydrophobicContact CD1-CB 3.58Å; I197-L260 HydrophobicContact CD1-CD1 4.39Å; I197-L260 HydrophobicContact CG1-CB 3.86Å; L201-L260 WeakPolarHBondContact CD1-O 3.17Å; L210-L260 HydrophobicContact CD2-CD2 3.88Å; L215-L260 HydrophobicContact CD1-CD2 3.93Å; L215-L260 HydrophobicContact CD2-CD2 4.34Å; D218-L260 HydrophobicContact CB-CD1 3.88Å; D218-L260 HydrophobicContact CB-CD2 3.84Å; D218-L260 HydrophobicContact CB-CG 3.73Å; W222-L260 HydrophobicContact CB-CD1 4.15Å; Q256-L260 PolarHBondContact O-N 3.16Å; L257-L260 HydrophobicContact CD2-CD1 4.43Å; L257-L260 PolarHBondContact O-N 3.04Å; L260-I263 PolarHBondContact O-N 2.83Å; L260-A264 VanDerWaalsContact O-CB 3.29Å; L260-A264 WeakPolarHBondContact O-CB 3.42Å; L260-A264 PolarHBondContact O-N 3.31Å
261T95.9Very high93.8Very high8 Ų836.8 Ų36.85%0.04919%0.185CC..Hα-helixtrans-66.2-41.5176.5-58.20000111.2S193 L196 L257 Q258 R259 A264 V265S193-T261 VanDerWaalsContact CA-OG1 3.26Å; S193-T261 WeakPolarHBondContact CA-OG1 2.92Å; S193-T261 WeakPolarHBondContact CB-OG1 3.34Å; L196-T261 HydrophobicContact CB-CG2 4.48Å; L196-T261 HydrophobicContact CD1-CG2 3.82Å; L257-T261 VanDerWaalsContact O-CB 3.29Å; L257-T261 WeakPolarHBondContact O-CB 3.46Å; L257-T261 PolarHBondContact O-N 3.42Å; L257-T261 PolarHBondContact O-OG1 2.98Å; Q258-T261 WeakPolarHBondContact O-CB 3.34Å; Q258-T261 PolarHBondContact O-N 3.23Å; R259-T261 VanDerWaalsContact C-N 3.29Å; R259-T261 PolarHBondContact O-N 3.46Å; T261-A264 WeakPolarHBondContact O-CB 3.45Å; T261-A264 PolarHBondContact O-N 2.89Å; T261-V265 VanDerWaalsContact O-CG2 3.32Å; T261-V265 WeakPolarHBondContact O-CG2 3.25Å; T261-V265 PolarHBondContact O-N 3.46Å
262Y97Very high93.6Very high10 Ų1034.2 Ų34.24%0.03917%0.171CC..Hα-helixtrans-59.6-48.8174.5175.9-93.1000111.1Q258 R259 A264 V265 Q266 P282 P283 K286 C289 D290Q258-Y262 PolarHBondContact O-N 3.05Å; R259-Y262 PolarHBondContact O-N 3.35Å; Y262-A264 VanDerWaalsContact C-N 3.32Å; Y262-A264 PolarHBondContact O-N 3.29Å; Y262-V265 PolarHBondContact O-N 3.21Å; Y262-V265 VanDerWaalsContact O-N 3.15Å; Y262-Q266 HydrophobicContact CD1-CG 4.25Å; Y262-Q266 HydrophobicContact CE1-CG 3.72Å; Y262-Q266 HydrophobicContact CE2-CG 4.39Å; Y262-Q266 WeakPolarHBondContact O-CG 3.45Å; Y262-Q266 PolarHBondContact O-N 3.39Å; Y262-Q266 PolarHBondContact OH-NE2 2.95Å; Y262-P282 HydrophobicContact CE2-CB 4.14Å; Y262-P283 HydrophobicContact CD1-CG 4.03Å; Y262-P283 VanDerWaalsContact CG-CD 3.43Å; Y262-P283 HydrophobicContact CG-CG 4.15Å; Y262-K286 HydrophobicContact CE1-CG 4.08Å; Y262-K286 HydrophobicContact CE2-CG 4.34Å; Y262-K286 WeakPolarHBondContact OH-CE 3.26Å; Y262-K286 VanDerWaalsContact OH-CG 3.3Å; Y262-K286 WeakPolarHBondContact OH-CG 3.47Å; Y262-C289 HydrophobicContact CD1-CB 3.93Å; Y262-C289 HydrophobicContact CE1-CB 3.94Å; Y262-D290 VanDerWaalsContact CE1-OD1 3.23Å; Y262-D290 WeakPolarHBondContact CE1-OD1 3.18Å; Y262-D290 PolarHBondContact OH-OD1 3.2Å; Y262-D290 PolarHBondContact OH-OD2 2.93Å
263I96.7Very high93.5Very high0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-58.4-44.3175.3-64.2168000110.7L201 I209 L215 R259 L260 V265 Q266 V267 C289 L292 V293L201-I263 HydrophobicContact CD1-CB 4.39Å; L201-I263 HydrophobicContact CD1-CG2 4.14Å; L201-I263 HydrophobicContact CD2-CG2 3.88Å; I209-I263 HydrophobicContact CD1-CG2 3.68Å; L215-I263 HydrophobicContact CD1-CD1 4.09Å; L215-I263 HydrophobicContact CD2-CD1 3.77Å; R259-I263 WeakPolarHBondContact O-CG1 3.44Å; R259-I263 PolarHBondContact O-N 3.4Å; R259-I263 VanDerWaalsContact O-N 3.08Å; L260-I263 PolarHBondContact O-N 2.83Å; I263-V265 VanDerWaalsContact C-N 3.32Å; I263-V265 PolarHBondContact O-N 3.37Å; I263-Q266 PolarHBondContact O-N 3.07Å; I263-V267 WeakPolarHBondContact O-CG2 3.44Å; I263-V267 PolarHBondContact O-N 3.1Å; I263-C289 HydrophobicContact CD1-CB 4.37Å; I263-C289 HydrophobicContact CG1-CB 3.95Å; I263-L292 HydrophobicContact CD1-CD2 4.22Å; I263-V293 HydrophobicContact CB-CG2 4.43Å; I263-V293 HydrophobicContact CG2-CG2 3.79Å
264A96.6Very high93.4Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-62.7-34.7177.100000113.2L196 I197 Y200 L201 L260 T261 Y262 G268L196-A264 HydrophobicContact CB-CB 4.17Å; I197-A264 HydrophobicContact CG1-CB 4.35Å; Y200-A264 WeakPolarHBondContact CB-O 3.31Å; Y200-A264 WeakPolarHBondContact CD2-O 3.45Å; L201-A264 HydrophobicContact CD1-CB 3.82Å; L201-A264 HydrophobicContact CD2-CB 4.46Å; L201-A264 HydrophobicContact CG-CB 3.82Å; L260-A264 VanDerWaalsContact O-CB 3.29Å; L260-A264 WeakPolarHBondContact O-CB 3.42Å; L260-A264 PolarHBondContact O-N 3.31Å; T261-A264 WeakPolarHBondContact O-CB 3.45Å; T261-A264 PolarHBondContact O-N 2.89Å; Y262-A264 VanDerWaalsContact C-N 3.32Å; Y262-A264 PolarHBondContact O-N 3.29Å; A264-G268 WeakPolarHBondContact O-CA 3.09Å; A264-G268 PolarHBondContact O-N 3.11Å
265V96.4Very high93.5Very high3 Ų338 Ų382%0.01819%0.194CC..Hα-helixtrans-70.5-43.9174.1170.80000110.8L196 T261 Y262 I263 V267 G268 M269 Y278 C280L196-V265 HydrophobicContact CD1-CG2 3.93Å; T261-V265 VanDerWaalsContact O-CG2 3.32Å; T261-V265 WeakPolarHBondContact O-CG2 3.25Å; T261-V265 PolarHBondContact O-N 3.46Å; Y262-V265 PolarHBondContact O-N 3.21Å; Y262-V265 VanDerWaalsContact O-N 3.15Å; I263-V265 VanDerWaalsContact C-N 3.32Å; I263-V265 PolarHBondContact O-N 3.37Å; V265-V267 PolarHBondContact O-N 3.45Å; V265-G268 PolarHBondContact O-N 2.97Å; V265-M269 HydrophobicContact CG1-CG 4.45Å; V265-M269 HydrophobicContact CG1-SD 3.99Å; V265-M269 VanDerWaalsContact O-CG 3.29Å; V265-M269 WeakPolarHBondContact O-CG 3.21Å; V265-M269 PolarHBondContact O-N 2.82Å; V265-Y278 HydrophobicContact CG1-CD1 4.24Å; V265-Y278 HydrophobicContact CG2-CD1 3.59Å; V265-Y278 HydrophobicContact CG2-CE1 3.76Å; V265-C280 HydrophobicContact CG2-CB 4.24Å
266Q95.6Very high93.5Very high46 Ų4639.3 Ų39.322%0.21520%0.195CC..Hα-helixtrans-61.9-44.1176.9-63.8-47.1-4700112.1Y262 I263 M269 V293Y262-Q266 HydrophobicContact CD1-CG 4.25Å; Y262-Q266 HydrophobicContact CE1-CG 3.72Å; Y262-Q266 HydrophobicContact CE2-CG 4.39Å; Y262-Q266 WeakPolarHBondContact O-CG 3.45Å; Y262-Q266 PolarHBondContact O-N 3.39Å; Y262-Q266 PolarHBondContact OH-NE2 2.95Å; I263-Q266 PolarHBondContact O-N 3.07Å; Q266-M269 PolarHBondContact O-N 2.98Å; Q266-V293 HydrophobicContact CB-CG1 4.18Å; Q266-V293 HydrophobicContact CB-CG2 3.97Å
267V93.9Very high93.1Very high0 Ų042.6 Ų42.60%021%0.214CC..Hα-helixtrans-63.9-46.3172.5174.40000110.5Y200 L201 I263 V265 M269 L270 H271 V293 F297Y200-V267 WeakPolarHBondContact O-CG1 3.35Å; L201-V267 HydrophobicContact CD2-CB 4.35Å; L201-V267 HydrophobicContact CD2-CG2 3.96Å; I263-V267 WeakPolarHBondContact O-CG2 3.44Å; I263-V267 PolarHBondContact O-N 3.1Å; V265-V267 PolarHBondContact O-N 3.45Å; V267-M269 VanDerWaalsContact C-N 3.28Å; V267-M269 PolarHBondContact O-N 3.31Å; V267-L270 VanDerWaalsContact O-CB 3.27Å; V267-L270 WeakPolarHBondContact O-CB 3.32Å; V267-L270 PolarHBondContact O-N 3.2Å; V267-H271 PolarHBondContact O-CD2 2.77Å; V267-H271 VanDerWaalsContact O-CD2 3.27Å; V267-V293 HydrophobicContact CG2-CG1 4.04Å; V267-V293 HydrophobicContact CG2-CG2 4.24Å; V267-F297 HydrophobicContact CG1-CD1 3.79Å; V267-F297 HydrophobicContact CG1-CE1 3.48Å; V267-F297 VanDerWaalsContact CG1-CE1 3.48Å; V267-F297 HydrophobicContact CG1-CE2 4.35Å; V267-F297 HydrophobicContact CG1-CG 4.36Å; V267-F297 HydrophobicContact CG1-CZ 3.8Å; V267-F297 HydrophobicContact CG2-CD1 4.31Å; V267-F297 HydrophobicContact CG2-CD2 3.69Å; V267-F297 HydrophobicContact CG2-CE1 4.23Å; V267-F297 HydrophobicContact CG2-CE2 3.6Å; V267-F297 HydrophobicContact CG2-CG 4.07Å; V267-F297 HydrophobicContact CG2-CZ 3.89Å
268G94.4Very high92.8Very high0 Ų045.2 Ų45.20%022%0.224CC..Hα-helixtrans-56.8-38.6178.300000113.3A264 V265 L270 H271 D272A264-G268 WeakPolarHBondContact O-CA 3.09Å; A264-G268 PolarHBondContact O-N 3.11Å; V265-G268 PolarHBondContact O-N 2.97Å; G268-L270 PolarHBondContact O-N 3.3Å; G268-H271 PolarHBondContact O-N 3.43Å; G268-D272 PolarHBondContact O-N 3.5Å
269M94.1Very high92.4Very high55 Ų5546.5 Ų46.527%0.27123%0.228SC..Hα-helixtrans-62.8-18.2176.6-76.3165.558.700114.2V265 Q266 V267 H271 L275 K276V265-M269 HydrophobicContact CG1-CG 4.45Å; V265-M269 HydrophobicContact CG1-SD 3.99Å; V265-M269 VanDerWaalsContact O-CG 3.29Å; V265-M269 WeakPolarHBondContact O-CG 3.21Å; V265-M269 PolarHBondContact O-N 2.82Å; Q266-M269 PolarHBondContact O-N 2.98Å; V267-M269 VanDerWaalsContact C-N 3.28Å; V267-M269 PolarHBondContact O-N 3.31Å; M269-H271 VanDerWaalsContact C-N 3.35Å; M269-L275 HydrophobicContact CG-CB 3.69Å; M269-K276 HydrophobicContact CE-CG 3.96Å
270L90.9Very high92.1Very high103 Ų10345.8 Ų45.854%0.53923%0.23SC..Hα-helixtrans-76.3-23.8172.5-53.9175.7000112.4V267 G268 F297V267-L270 VanDerWaalsContact O-CB 3.27Å; V267-L270 WeakPolarHBondContact O-CB 3.32Å; V267-L270 PolarHBondContact O-N 3.2Å; G268-L270 PolarHBondContact O-N 3.3Å; L270-F297 HydrophobicContact CD1-CB 3.72Å; L270-F297 HydrophobicContact CD1-CG 4.45Å
271H88.4Confident91.8Very high106 Ų10650.6 Ų50.649%0.49126%0.261SS..Hα-helixtrans-109.6-33.3-175.8-58-70.6000113.1V267 G268 M269V267-H271 PolarHBondContact O-CD2 2.77Å; V267-H271 VanDerWaalsContact O-CD2 3.27Å; G268-H271 PolarHBondContact O-N 3.43Å; M269-H271 VanDerWaalsContact C-N 3.35Å
272D89.8Confident91.6Very high29 Ų2954.1 Ų54.116%0.15528%0.284CS..  trans-13192.8-175.2-173.1-10000109.1G268 S274 L275 T442G268-D272 PolarHBondContact O-N 3.5Å; D272-S274 PolarHBondContact O-N 3.26Å; D272-S274 WeakPolarHBondContact OD1-CB 3.36Å; D272-S274 PolarHBondContact OD1-N 2.81Å; D272-S274 PolarHBondContact OD1-OG 3.43Å; D272-S274 PolarHBondContact OD2-OG 3.4Å; D272-L275 HydrophobicContact CB-CD1 4.24Å; D272-L275 HydrophobicContact CB-CG 4.44Å; D272-L275 PolarHBondContact O-N 2.93Å; D272-L275 VanDerWaalsContact O-N 3.15Å; D272-T442 PolarHBondContact OD2-OG1 3.03Å
273P90.4Very high91.5Very high85 Ų8554.8 Ų54.855%0.55229%0.29SS*.G310 helixtrans-59.5-18.2-177-26.435.5000114.6L275 K276P273-L275 PolarHBondContact O-N 3.25Å; P273-K276 WeakPolarHBondContact O-CB 3.28Å; P273-K276 WeakPolarHBondContact O-CD 3.24Å; P273-K276 VanDerWaalsContact O-CG 3.28Å; P273-K276 WeakPolarHBondContact O-CG 3.35Å; P273-K276 PolarHBondContact O-N 3.35Å
274S88.8Confident91.4Very high27 Ų2762 Ų6219%0.18933%0.334CS..G310 helixtrans-61.3-31.7178.380.10000111.7D272 K276 N277 T442 L446D272-S274 PolarHBondContact O-N 3.26Å; D272-S274 WeakPolarHBondContact OD1-CB 3.36Å; D272-S274 PolarHBondContact OD1-N 2.81Å; D272-S274 PolarHBondContact OD1-OG 3.43Å; D272-S274 PolarHBondContact OD2-OG 3.4Å; S274-K276 PolarHBondContact O-N 2.84Å; S274-N277 PolarHBondContact O-N 3.17Å; S274-T442 WeakPolarHBondContact OG-CG2 3.47Å; S274-L446 WeakPolarHBondContact O-CD1 3.32Å; S274-L446 WeakPolarHBondContact O-CD2 3.49Å
275L91.6Very high91.3Very high13 Ų1364 Ų647%0.06835%0.345CS..G310 helixtrans-63.9-10.8-179.7-71.8174.3000114.2L196 Y200 M269 D272 P273 N277 Y278L196-L275 HydrophobicContact CD2-CD2 4.44Å; Y200-L275 HydrophobicContact CD2-CD1 4.37Å; Y200-L275 HydrophobicContact CE2-CD1 3.51Å; M269-L275 HydrophobicContact CG-CB 3.69Å; D272-L275 HydrophobicContact CB-CD1 4.24Å; D272-L275 HydrophobicContact CB-CG 4.44Å; D272-L275 PolarHBondContact O-N 2.93Å; D272-L275 VanDerWaalsContact O-N 3.15Å; P273-L275 PolarHBondContact O-N 3.25Å; L275-N277 PolarHBondContact O-N 3.1Å; L275-N277 VanDerWaalsContact O-N 3.16Å; L275-Y278 HydrophobicContact CD2-CG 4.38Å; L275-Y278 VanDerWaalsContact O-CB 3.3Å; L275-Y278 WeakPolarHBondContact O-CB 3.36Å; L275-Y278 PolarHBondContact O-N 2.93Å
276K89.6Confident91.3Very high144 Ų14468.2 Ų68.263%0.62636%0.363SS*.G310 helixtrans-54.1-29.6167.2-71.3173.3-179.3-1780112.7M269 P273 S274M269-K276 HydrophobicContact CE-CG 3.96Å; P273-K276 WeakPolarHBondContact O-CB 3.28Å; P273-K276 WeakPolarHBondContact O-CD 3.24Å; P273-K276 VanDerWaalsContact O-CG 3.28Å; P273-K276 WeakPolarHBondContact O-CG 3.35Å; P273-K276 PolarHBondContact O-N 3.35Å; S274-K276 PolarHBondContact O-N 2.84Å
277N86.3Confident91.4Very high122 Ų12274 Ų7465%0.65239%0.39SS*.G310 helixtrans-89.6-5.3179-62.5-19.5000112.9S274 L275 K279 L446S274-N277 PolarHBondContact O-N 3.17Å; L275-N277 PolarHBondContact O-N 3.1Å; L275-N277 VanDerWaalsContact O-N 3.16Å; N277-K279 PolarHBondContact O-N 3.16Å; N277-L446 HydrophobicContact CB-CD1 4.29Å; N277-L446 HydrophobicContact CB-CD2 4.07Å
278Y87.4Confident91.5Very high57 Ų5776 Ų7622%0.22441%0.406CS..  trans-77.6112.4179.3-175.8-92.2000110.7K192 L196 V265 L275 C280K192-Y278 HydrophobicContact CD-CE2 4.42Å; L196-Y278 HydrophobicContact CD1-CE1 3.82Å; L196-Y278 HydrophobicContact CD1-CE2 4.19Å; V265-Y278 HydrophobicContact CG1-CD1 4.24Å; V265-Y278 HydrophobicContact CG2-CD1 3.59Å; V265-Y278 HydrophobicContact CG2-CE1 3.76Å; L275-Y278 HydrophobicContact CD2-CG 4.38Å; L275-Y278 VanDerWaalsContact O-CB 3.3Å; L275-Y278 WeakPolarHBondContact O-CB 3.36Å; L275-Y278 PolarHBondContact O-N 2.93Å; Y278-C280 HydrophobicContact CD1-CB 3.91Å; Y278-C280 HydrophobicContact CE1-CB 3.88Å; Y278-C280 PolarHBondContact O-N 3.4Å
279K84.4Confident91.6Very high124 Ų12476 Ų7654%0.53941%0.406SS..  trans-74.787.6179.3-61.3-173.1-165.9165.90111.5N277 D449N277-K279 PolarHBondContact O-N 3.16Å; K279-D449 VanDerWaalsContact CD-OD2 3.31Å; K279-D449 WeakPolarHBondContact CD-OD2 3.28Å; K279-D449 VanDerWaalsContact CE-OD2 3.26Å; K279-D449 WeakPolarHBondContact CE-OD2 3.37Å; K279-D449 IonicContact NZ-OD1 2.68Å; K279-D449 PolarHBondContact NZ-OD1 3.44Å; K279-D449 IonicContact NZ-OD2 2.62Å; K279-D449 PolarHBondContact NZ-OD2 3.12Å
280C89.3Confident91.7Very high29 Ų2975.7 Ų75.720%0.19641%0.405CS..PPolyproline II helixtrans-97.2119.4166-166.20000109.5V265 Y278V265-C280 HydrophobicContact CG2-CB 4.24Å; Y278-C280 HydrophobicContact CD1-CB 3.91Å; Y278-C280 HydrophobicContact CE1-CB 3.88Å; Y278-C280 PolarHBondContact O-N 3.4Å
281P89.7Confident91.9Very high101 Ų10173.6 Ų73.666%0.65640%0.403SS*.PPolyproline II helixtrans-58.4130.2171.4-23.134.2000110.4
282P93.1Very high92.2Very high83 Ų8369.1 Ų69.154%0.53938%0.383SS..PPolyproline II helixtrans-66.7140.417528.8-33.6000110.2Y262 K286Y262-P282 HydrophobicContact CE2-CB 4.14Å; P282-K286 HydrophobicContact CB-CB 4.3Å; P282-K286 HydrophobicContact CB-CD 4.03Å; P282-K286 HydrophobicContact CB-CG 3.92Å
283P94.3Very high92.5Very high24 Ų2468.4 Ų68.416%0.15638%0.379CS..PPolyproline II helixtrans-72.8166.7174.733.5-36.8000110.7R259 Y262 D285 K286R259-P283 HydrophobicContact CG-CB 3.65Å; R259-P283 HydrophobicContact CG-CG 4.32Å; Y262-P283 HydrophobicContact CD1-CG 4.03Å; Y262-P283 VanDerWaalsContact CG-CD 3.43Å; Y262-P283 HydrophobicContact CG-CG 4.15Å; P283-D285 WeakPolarHBondContact CB-OD1 3.44Å; P283-D285 PolarHBondContact O-N 2.92Å; P283-K286 WeakPolarHBondContact O-CB 3.15Å; P283-K286 PolarHBondContact O-N 3.22Å
284T94.3Very high92.6Very high152 Ų15271.5 Ų71.593%0.93338%0.384SS*.THydrogen-bonded Turntrans-60.7-25.218046.30000113.7
285D95Very high92.8Very high41 Ų4177.6 Ų77.622%0.21940%0.403CS..THydrogen-bonded Turntrans-110.630.1-178.157.6-15.3000112.3Y214 R259 P283 E287 A288 C289Y214-D285 PolarHBondContact OH-OD2 3.15Å; R259-D285 IonicContact CZ-OD2 3.18Å; R259-D285 IonicContact NE-OD1 3.21Å; R259-D285 PolarHBondContact NE-OD1 3.05Å; R259-D285 IonicContact NE-OD2 2.69Å; R259-D285 PolarHBondContact NE-OD2 3.38Å; R259-D285 IonicContact NH2-OD2 3.95Å; R259-D285 PolarHBondContact NH2-OD2 3.42Å; P283-D285 WeakPolarHBondContact CB-OD1 3.44Å; P283-D285 PolarHBondContact O-N 2.92Å; D285-E287 PolarHBondContact O-N 2.86Å; D285-E287 VanDerWaalsContact O-N 3.08Å; D285-A288 PolarHBondContact O-N 3.43Å; D285-C289 PolarHBondContact O-N 3.24Å
286K95.9Very high92.8Very high92 Ų9279 Ų7940%0.441%0.407SS..Hα-helixtrans-40.7-47.6-179.4-169.8-150.8171.9-152.80113.8Y262 P282 P283 A288 C289 D290Y262-K286 HydrophobicContact CE1-CG 4.08Å; Y262-K286 HydrophobicContact CE2-CG 4.34Å; Y262-K286 WeakPolarHBondContact OH-CE 3.26Å; Y262-K286 VanDerWaalsContact OH-CG 3.3Å; Y262-K286 WeakPolarHBondContact OH-CG 3.47Å; P282-K286 HydrophobicContact CB-CB 4.3Å; P282-K286 HydrophobicContact CB-CD 4.03Å; P282-K286 HydrophobicContact CB-CG 3.92Å; P283-K286 WeakPolarHBondContact O-CB 3.15Å; P283-K286 PolarHBondContact O-N 3.22Å; K286-A288 VanDerWaalsContact C-N 3.31Å; K286-A288 PolarHBondContact O-N 3.3Å; K286-C289 WeakPolarHBondContact O-CB 3.32Å; K286-C289 PolarHBondContact O-N 3.5Å; K286-C289 VanDerWaalsContact O-N 3.16Å; K286-D290 WeakPolarHBondContact CE-OD2 3.34Å; K286-D290 IonicContact NZ-OD2 2.82Å; K286-D290 PolarHBondContact NZ-OD2 3.05Å; K286-D290 VanDerWaalsContact O-CG 3.29Å; K286-D290 PolarHBondContact O-N 2.89Å
287E96.8Very high92.8Very high168 Ų16873.1 Ų73.179%0.78538%0.382SS*.Hα-helixtrans-61.5-37.5-176.6-63.1177.6173.600112.7D285 A291D285-E287 PolarHBondContact O-N 2.86Å; D285-E287 VanDerWaalsContact O-N 3.08Å; E287-A291 VanDerWaalsContact O-CB 3.3Å; E287-A291 WeakPolarHBondContact O-CB 3.48Å; E287-A291 PolarHBondContact O-N 3.02Å
288A96.5Very high92.8Very high41 Ų4168.4 Ų68.434%0.33936%0.359SS..Hα-helixtrans-73.9-36.7176.100000111.5Y214 D285 K286 A291 L292Y214-A288 HydrophobicContact CE1-CB 4.45Å; Y214-A288 HydrophobicContact CE2-CB 4.29Å; Y214-A288 WeakPolarHBondContact OH-CB 3.36Å; D285-A288 PolarHBondContact O-N 3.43Å; K286-A288 VanDerWaalsContact C-N 3.31Å; K286-A288 PolarHBondContact O-N 3.3Å; A288-A291 PolarHBondContact O-N 3.09Å; A288-L292 WeakPolarHBondContact O-CB 3.07Å; A288-L292 PolarHBondContact O-N 3.46Å
289C96.2Very high92.4Very high0 Ų071.7 Ų71.70%039%0.387CS..Hα-helixtrans-62.4-44.6170.2-65.60000112.2Y262 I263 D285 K286 L292 V293Y262-C289 HydrophobicContact CD1-CB 3.93Å; Y262-C289 HydrophobicContact CE1-CB 3.94Å; I263-C289 HydrophobicContact CD1-CB 4.37Å; I263-C289 HydrophobicContact CG1-CB 3.95Å; D285-C289 PolarHBondContact O-N 3.24Å; K286-C289 WeakPolarHBondContact O-CB 3.32Å; K286-C289 PolarHBondContact O-N 3.5Å; K286-C289 VanDerWaalsContact O-N 3.16Å; C289-L292 WeakPolarHBondContact O-CB 3.45Å; C289-L292 PolarHBondContact O-N 2.98Å; C289-V293 WeakPolarHBondContact O-CG2 3.42Å; C289-V293 PolarHBondContact O-N 2.8Å
290D96.5Very high92.2Very high48 Ų4872.9 Ų72.926%0.25740%0.4SS..Hα-helixtrans-64.2-42.4177.9-68.9-13.3000110.9Y262 K286 L292 V293 K294Y262-D290 VanDerWaalsContact CE1-OD1 3.23Å; Y262-D290 WeakPolarHBondContact CE1-OD1 3.18Å; Y262-D290 PolarHBondContact OH-OD1 3.2Å; Y262-D290 PolarHBondContact OH-OD2 2.93Å; K286-D290 WeakPolarHBondContact CE-OD2 3.34Å; K286-D290 IonicContact NZ-OD2 2.82Å; K286-D290 PolarHBondContact NZ-OD2 3.05Å; K286-D290 VanDerWaalsContact O-CG 3.29Å; K286-D290 PolarHBondContact O-N 2.89Å; D290-L292 VanDerWaalsContact C-N 3.34Å; D290-L292 PolarHBondContact O-N 3.33Å; D290-V293 PolarHBondContact O-N 2.98Å; D290-K294 WeakPolarHBondContact O-CB 3.18Å; D290-K294 PolarHBondContact O-N 3.1Å
291A95.8Very high91.7Very high59 Ų5973.7 Ų73.749%0.48840%0.403SS..Hα-helixtrans-63-38.2174.100000112.4E287 A288 K294 R295E287-A291 VanDerWaalsContact O-CB 3.3Å; E287-A291 WeakPolarHBondContact O-CB 3.48Å; E287-A291 PolarHBondContact O-N 3.02Å; A288-A291 PolarHBondContact O-N 3.09Å; A291-K294 PolarHBondContact O-N 3.43Å; A291-R295 WeakPolarHBondContact O-CB 3.4Å; A291-R295 PolarHBondContact O-N 3.14Å
292L95.3Very high90.9Very high12 Ų1277.3 Ų77.36%0.06341%0.412CS..Hα-helixtrans-65.5-46.4175.3-170.476.7000111.7I209 D212 Y214 L215 I263 A288 C289 D290 K294 R295 Y296I209-L292 HydrophobicContact CD1-CD2 3.94Å; I209-L292 HydrophobicContact CD1-CG 3.9Å; I209-L292 HydrophobicContact CG1-CD2 3.69Å; I209-L292 HydrophobicContact CG1-CG 3.82Å; D212-L292 HydrophobicContact CB-CD1 3.87Å; D212-L292 WeakPolarHBondContact OD2-CD1 3.48Å; Y214-L292 HydrophobicContact CD1-CD2 4.1Å; L215-L292 HydrophobicContact CD1-CD2 3.63Å; L215-L292 HydrophobicContact CD2-CD2 4.02Å; L215-L292 HydrophobicContact CG-CD2 3.77Å; I263-L292 HydrophobicContact CD1-CD2 4.22Å; A288-L292 WeakPolarHBondContact O-CB 3.07Å; A288-L292 PolarHBondContact O-N 3.46Å; C289-L292 WeakPolarHBondContact O-CB 3.45Å; C289-L292 PolarHBondContact O-N 2.98Å; D290-L292 VanDerWaalsContact C-N 3.34Å; D290-L292 PolarHBondContact O-N 3.33Å; L292-K294 VanDerWaalsContact C-N 3.31Å; L292-K294 PolarHBondContact O-N 3.48Å; L292-R295 WeakPolarHBondContact O-CB 3.24Å; L292-R295 PolarHBondContact O-N 3.26Å; L292-R295 VanDerWaalsContact O-N 3.14Å; L292-Y296 HydrophobicContact CD1-CD2 4.08Å; L292-Y296 HydrophobicContact CD1-CE2 3.74Å; L292-Y296 HydrophobicContact CG-CD2 4.26Å; L292-Y296 HydrophobicContact CG-CE2 4.38Å; L292-Y296 WeakPolarHBondContact O-CD2 3.32Å; L292-Y296 PolarHBondContact O-N 3.5Å
293V94.9Very high89.7Confident14 Ų1476 Ų769%0.08540%0.399CS..Hα-helixtrans-57.2-47.5174.4172.80000109.9I209 I263 Q266 V267 C289 D290 R295 Y296 F297I209-V293 HydrophobicContact CD1-CG2 4.38Å; I263-V293 HydrophobicContact CB-CG2 4.43Å; I263-V293 HydrophobicContact CG2-CG2 3.79Å; Q266-V293 HydrophobicContact CB-CG1 4.18Å; Q266-V293 HydrophobicContact CB-CG2 3.97Å; V267-V293 HydrophobicContact CG2-CG1 4.04Å; V267-V293 HydrophobicContact CG2-CG2 4.24Å; C289-V293 WeakPolarHBondContact O-CG2 3.42Å; C289-V293 PolarHBondContact O-N 2.8Å; D290-V293 PolarHBondContact O-N 2.98Å; V293-R295 VanDerWaalsContact C-N 3.33Å; V293-R295 PolarHBondContact O-N 3.4Å; V293-Y296 PolarHBondContact O-N 2.86Å; V293-F297 WeakPolarHBondContact O-CB 3.12Å; V293-F297 PolarHBondContact O-N 3.36Å
294K93.9Very high88.2Confident150 Ų15078 Ų7865%0.65241%0.412SS*.Hα-helixtrans-58.3-42.7176-170.5178179.5179.20112.1D290 A291 L292 Y296 S298D290-K294 WeakPolarHBondContact O-CB 3.18Å; D290-K294 PolarHBondContact O-N 3.1Å; A291-K294 PolarHBondContact O-N 3.43Å; L292-K294 VanDerWaalsContact C-N 3.31Å; L292-K294 PolarHBondContact O-N 3.48Å; K294-Y296 VanDerWaalsContact C-N 3.32Å; K294-Y296 PolarHBondContact O-N 2.98Å; K294-S298 WeakPolarHBondContact CG-OG 3.19Å; K294-S298 VanDerWaalsContact O-CB 3.29Å; K294-S298 WeakPolarHBondContact O-CB 3.06Å; K294-S298 PolarHBondContact O-N 3.46Å; K294-S298 VanDerWaalsContact O-N 3.11Å; K294-S298 PolarHBondContact O-OG 2.9Å
295R92Very high86.6Confident156 Ų15678.5 Ų78.559%0.58941%0.405SS*.Hα-helixtrans-59.3-37.7179.2-178.3-174.8-178-173.98.3113.2D212 A291 L292 V293 V301D212-R295 IonicContact OD2-CZ 3.46Å; D212-R295 IonicContact OD2-NH1 3.7Å; D212-R295 PolarHBondContact OD2-NH1 3.13Å; A291-R295 WeakPolarHBondContact O-CB 3.4Å; A291-R295 PolarHBondContact O-N 3.14Å; L292-R295 WeakPolarHBondContact O-CB 3.24Å; L292-R295 PolarHBondContact O-N 3.26Å; L292-R295 VanDerWaalsContact O-N 3.14Å; V293-R295 VanDerWaalsContact C-N 3.33Å; V293-R295 PolarHBondContact O-N 3.4Å; R295-V301 VanDerWaalsContact O-CG2 3.3Å; R295-V301 WeakPolarHBondContact O-CG2 3.16Å
296Y90.7Very high84.8Confident41 Ų4179.6 Ų79.616%0.16141%0.41CS..Hα-helixtrans-100.3-24.3-174.5-75.9-88.3000114.4R207 I209 D212 L292 V293 K294R207-Y296 WeakPolarHBondContact CD-O 3.44Å; R207-Y296 PolarHBondContact NH1-O 3.02Å; I209-Y296 HydrophobicContact CB-CD1 4.23Å; I209-Y296 HydrophobicContact CB-CD2 4.02Å; I209-Y296 HydrophobicContact CB-CG 3.84Å; I209-Y296 HydrophobicContact CD1-CD2 4.32Å; I209-Y296 HydrophobicContact CG1-CD2 3.83Å; I209-Y296 HydrophobicContact CG1-CE2 4.38Å; I209-Y296 HydrophobicContact CG1-CG 4.13Å; D212-Y296 HydrophobicContact CB-CE2 4.11Å; D212-Y296 WeakPolarHBondContact OD2-CE2 3.2Å; D212-Y296 PolarHBondContact OD2-OH 3.41Å; L292-Y296 HydrophobicContact CD1-CD2 4.08Å; L292-Y296 HydrophobicContact CD1-CE2 3.74Å; L292-Y296 HydrophobicContact CG-CD2 4.26Å; L292-Y296 HydrophobicContact CG-CE2 4.38Å; L292-Y296 WeakPolarHBondContact O-CD2 3.32Å; L292-Y296 PolarHBondContact O-N 3.5Å; V293-Y296 PolarHBondContact O-N 2.86Å; K294-Y296 VanDerWaalsContact C-N 3.32Å; K294-Y296 PolarHBondContact O-N 2.98Å
297F90.3Very high83Confident21 Ų2175.5 Ų75.59%0.09239%0.393CS..Hα-helixtrans-122.89.3-171.8-65-95.7000114.8E204 R207 I209 V267 L270 V293E204-F297 HydrophobicContact CB-CE1 4.03Å; E204-F297 HydrophobicContact CB-CZ 4.07Å; E204-F297 HydrophobicContact CG-CE1 4.09Å; R207-F297 HydrophobicContact CB-CE1 3.99Å; R207-F297 HydrophobicContact CB-CE2 4.28Å; R207-F297 HydrophobicContact CB-CZ 3.8Å; R207-F297 VanDerWaalsContact CD-CD1 3.42Å; R207-F297 VanDerWaalsContact CD-CE1 3.45Å; R207-F297 HydrophobicContact CG-CE1 4.32Å; I209-F297 HydrophobicContact CB-CE2 4.01Å; I209-F297 HydrophobicContact CD1-CD2 4.28Å; I209-F297 HydrophobicContact CD1-CE2 3.89Å; I209-F297 HydrophobicContact CG2-CE2 3.88Å; I209-F297 HydrophobicContact CG2-CZ 4.28Å; V267-F297 HydrophobicContact CG1-CD1 3.79Å; V267-F297 HydrophobicContact CG1-CE1 3.48Å; V267-F297 VanDerWaalsContact CG1-CE1 3.48Å; V267-F297 HydrophobicContact CG1-CE2 4.35Å; V267-F297 HydrophobicContact CG1-CG 4.36Å; V267-F297 HydrophobicContact CG1-CZ 3.8Å; V267-F297 HydrophobicContact CG2-CD1 4.31Å; V267-F297 HydrophobicContact CG2-CD2 3.69Å; V267-F297 HydrophobicContact CG2-CE1 4.23Å; V267-F297 HydrophobicContact CG2-CE2 3.6Å; V267-F297 HydrophobicContact CG2-CG 4.07Å; V267-F297 HydrophobicContact CG2-CZ 3.89Å; L270-F297 HydrophobicContact CD1-CB 3.72Å; L270-F297 HydrophobicContact CD1-CG 4.45Å; V293-F297 WeakPolarHBondContact O-CB 3.12Å; V293-F297 PolarHBondContact O-N 3.36Å
298S87Confident81Confident23 Ų2370.8 Ų70.816%0.16138%0.376CS..SBendtrans-62.3147.7167.6-66.50000111.1K294 D300 V301K294-S298 WeakPolarHBondContact CG-OG 3.19Å; K294-S298 VanDerWaalsContact O-CB 3.29Å; K294-S298 WeakPolarHBondContact O-CB 3.06Å; K294-S298 PolarHBondContact O-N 3.46Å; K294-S298 VanDerWaalsContact O-N 3.11Å; K294-S298 PolarHBondContact O-OG 2.9Å; S298-D300 PolarHBondContact O-N 3.17Å; S298-D300 VanDerWaalsContact O-N 3.15Å; S298-V301 WeakPolarHBondContact O-CB 3.36Å; S298-V301 PolarHBondContact O-N 2.67Å
299P78.6Confident79.1Confident127 Ų12772.2 Ų72.283%0.82538%0.38SS*.THydrogen-bonded Turntrans-54.2-34.9-179.7-27.935.9000114.2V301P299-V301 VanDerWaalsContact C-N 3.25Å; P299-V301 PolarHBondContact O-N 3.22Å
300D79.6Confident77.3Confident149 Ų14972.9 Ų72.980%0.79739%0.385SS*.THydrogen-bonded Turntrans-77-7.4-177.2-45.9-59.3000113.7S298 Q302S298-D300 PolarHBondContact O-N 3.17Å; S298-D300 VanDerWaalsContact O-N 3.15Å; D300-Q302 PolarHBondContact O-N 2.86Å
301V78.8Confident75.6Confident46 Ų4675.6 Ų75.628%0.27939%0.394SS..  trans-78.397.7-178.9179.60000109.4R207 R295 S298 P299R207-V301 PolarHBondContact NH1-O 3.42Å; R207-V301 PolarHBondContact NH2-O 2.79Å; R295-V301 VanDerWaalsContact O-CG2 3.3Å; R295-V301 WeakPolarHBondContact O-CG2 3.16Å; S298-V301 WeakPolarHBondContact O-CB 3.36Å; S298-V301 PolarHBondContact O-N 2.67Å; P299-V301 VanDerWaalsContact C-N 3.25Å; P299-V301 PolarHBondContact O-N 3.22Å
302Q72.7Confident74Confident177 Ų17779.8 Ų79.883%0.82740%0.398SS*.PPolyproline II helixtrans-58.1136.1167.4-63.7-173.6-0.500110.1D300D300-Q302 PolarHBondContact O-N 2.86Å
303L67.9Low72.3Confident54 Ų5485.4 Ų85.428%0.28342%0.419SS..PPolyproline II helixtrans-66.8139.2173.1-65.9176.7000109.1Q206 R207 E305 T308Q206-L303 HydrophobicContact CB-CD1 4.45Å; Q206-L303 HydrophobicContact CB-CD2 4.17Å; R207-L303 HydrophobicContact CG-CD2 3.51Å; L303-E305 PolarHBondContact O-N 3.39Å; L303-T308 HydrophobicContact CB-CG2 4.46Å
304P64.7Low70.9Confident66 Ų6686.7 Ų86.743%0.42943%0.425SS..PPolyproline II helixtrans-57.5134.7171.6-18.829.6000109.8D306 T307P304-D306 PolarHBondContact O-N 3.39Å; P304-D306 VanDerWaalsContact O-N 3.15Å; P304-T307 HydrophobicContact CB-CG2 4.15Å; P304-T307 HydrophobicContact CG-CG2 4.17Å; P304-T307 WeakPolarHBondContact O-CB 3.4Å; P304-T307 PolarHBondContact O-N 3.36Å; P304-T307 PolarHBondContact O-OG1 3.47Å
305E59.4Low69.5Low164 Ų16484 Ų8477%0.76642%0.42SS*.Hα-helixtrans-51.5-43.3-176.7-64.1-176.3159.800111.7L303 T307 T308L303-E305 PolarHBondContact O-N 3.39Å; E305-T307 PolarHBondContact O-N 2.9Å; E305-T308 WeakPolarHBondContact O-CB 3.27Å; E305-T308 PolarHBondContact O-N 2.9Å; E305-T308 PolarHBondContact O-OG1 2.62Å
306D58.3Low68.2Low63 Ų6378.8 Ų78.834%0.33740%0.404SS..Hα-helixtrans-49.1-27.2173-756.5000115.2P304 P310 Q356 Q360P304-D306 PolarHBondContact O-N 3.39Å; P304-D306 VanDerWaalsContact O-N 3.15Å; D306-P310 WeakPolarHBondContact O-CD 3.43Å; D306-Q356 PolarHBondContact OD1-NE2 3.2Å; D306-Q356 VanDerWaalsContact OD2-CG 3.31Å; D306-Q356 WeakPolarHBondContact OD2-CG 3.44Å; D306-Q356 PolarHBondContact OD2-NE2 3.08Å; D306-Q360 PolarHBondContact OD2-NE2 3.42Å
307T56.5Low66.6Low7 Ų778.9 Ų78.94%0.04340%0.404CS..Hα-helixtrans-90.1-14.6-179.467.10000113.6Q206 P304 E305Q206-T307 PolarHBondContact O-OG1 3.11Å; P304-T307 HydrophobicContact CB-CG2 4.15Å; P304-T307 HydrophobicContact CG-CG2 4.17Å; P304-T307 WeakPolarHBondContact O-CB 3.4Å; P304-T307 PolarHBondContact O-N 3.36Å; P304-T307 PolarHBondContact O-OG1 3.47Å; E305-T307 PolarHBondContact O-N 2.9Å
308T54.8Low65.4Low68 Ų6882.5 Ų82.542%0.41743%0.425SS..Hα-helixtrans-78.1-37.7177.569.60000111.3L303 E305 K311 Y312L303-T308 HydrophobicContact CB-CG2 4.46Å; E305-T308 WeakPolarHBondContact O-CB 3.27Å; E305-T308 PolarHBondContact O-N 2.9Å; E305-T308 PolarHBondContact O-OG1 2.62Å; T308-K311 WeakPolarHBondContact O-CB 3.48Å; T308-K311 PolarHBondContact O-N 3.35Å; T308-K311 VanDerWaalsContact O-N 3.1Å; T308-Y312 PolarHBondContact O-N 2.89Å
309T56.7Low64.5Low72 Ų7288 Ų8844%0.44245%0.452SS..Hα-helixtrans-56.6-49.1-179.3-56.30000112.7K311 Y312 W313T309-K311 VanDerWaalsContact C-N 3.28Å; T309-K311 PolarHBondContact O-N 2.77Å; T309-Y312 PolarHBondContact O-N 3.35Å; T309-W313 PolarHBondContact O-N 3.46Å
310P59.6Low63.9Low13 Ų1387.4 Ų87.48%0.08444%0.441CS..Hα-helixtrans-64.9-27.5177.4-20.132.5000113.8W205 D306 M314 F331 M367W205-P310 HydrophobicContact CH2-CB 3.78Å; W205-P310 HydrophobicContact CZ3-CB 3.98Å; W205-P310 HydrophobicContact CZ3-CG 4.3Å; D306-P310 WeakPolarHBondContact O-CD 3.43Å; P310-M314 WeakPolarHBondContact O-CB 3.39Å; P310-M314 WeakPolarHBondContact O-CG 2.88Å; P310-M314 PolarHBondContact O-N 3.19Å; P310-F331 HydrophobicContact CB-CE1 4.05Å; P310-F331 HydrophobicContact CB-CZ 4.42Å; P310-M367 HydrophobicContact CB-CE 3.83Å; P310-M367 HydrophobicContact CB-SD 4.04Å
311K61.1Low63Low105 Ų10586.1 Ų86.146%0.45743%0.428SS..Hα-helixtrans-70.1-47.5175-172.7-173.5-1671630110.8W205 T308 T309 W313 M314 T315W205-K311 HydrophobicContact CH2-CB 4.27Å; T308-K311 WeakPolarHBondContact O-CB 3.48Å; T308-K311 PolarHBondContact O-N 3.35Å; T308-K311 VanDerWaalsContact O-N 3.1Å; T309-K311 VanDerWaalsContact C-N 3.28Å; T309-K311 PolarHBondContact O-N 2.77Å; K311-W313 VanDerWaalsContact C-N 3.33Å; K311-W313 PolarHBondContact O-N 2.87Å; K311-M314 PolarHBondContact O-N 2.93Å; K311-T315 PolarHBondContact O-N 3.29Å; K311-T315 PolarHBondContact O-OG1 3.35Å
312Y62Low61.6Low148 Ų14887.2 Ų87.258%0.5844%0.442SS*.Hα-helixtrans-57.6-47.3174.5178.1-98000111T308 T309 M314 T315 L316T308-Y312 PolarHBondContact O-N 2.89Å; T309-Y312 PolarHBondContact O-N 3.35Å; Y312-M314 PolarHBondContact O-N 2.75Å; Y312-T315 PolarHBondContact O-N 2.58Å; Y312-L316 HydrophobicContact CE1-CD2 3.97Å; Y312-L316 VanDerWaalsContact O-CB 3.26Å; Y312-L316 WeakPolarHBondContact O-CB 3.23Å; Y312-L316 PolarHBondContact O-N 2.83Å
313W59.8Low60.7Low129 Ų12984.1 Ų84.149%0.48944%0.437SS..Hα-helixtrans-63.2-40.5175.6-77.9110.6000113.1T309 K311 L316 R317 F331T309-W313 PolarHBondContact O-N 3.46Å; K311-W313 VanDerWaalsContact C-N 3.33Å; K311-W313 PolarHBondContact O-N 2.87Å; W313-L316 HydrophobicContact CE3-CD2 4.13Å; W313-L316 HydrophobicContact CZ3-CD2 4.03Å; W313-R317 WeakPolarHBondContact O-CB 3.2Å; W313-R317 PolarHBondContact O-N 3.16Å; W313-F331 HydrophobicContact CB-CE2 3.85Å; W313-F331 HydrophobicContact CB-CZ 4.02Å; W313-F331 HydrophobicContact CG-CE2 4.46Å
314M63.8Low59.8Low42 Ų4286.2 Ų86.221%0.20745%0.454CS..Hα-helixtrans-62.2-44173.8-86.3-173157.300112.4W205 P310 K311 Y312 R317 N318 M367W205-M314 HydrophobicContact CZ2-SD 4.25Å; P310-M314 WeakPolarHBondContact O-CB 3.39Å; P310-M314 WeakPolarHBondContact O-CG 2.88Å; P310-M314 PolarHBondContact O-N 3.19Å; K311-M314 PolarHBondContact O-N 2.93Å; Y312-M314 PolarHBondContact O-N 2.75Å; M314-R317 PolarHBondContact O-N 3.18Å; M314-N318 WeakPolarHBondContact O-CB 3.35Å; M314-N318 VanDerWaalsContact O-CG 3.25Å; M314-N318 PolarHBondContact O-N 3.32Å; M314-N318 PolarHBondContact O-ND2 3.48Å; M314-M367 HydrophobicContact CE-CE 3.36Å; M314-M367 HydrophobicContact CG-CE 4.26Å; M314-M367 HydrophobicContact SD-CE 3.73Å
315T65.1Low59.2Low92 Ų9286.4 Ų86.456%0.56446%0.461SS*.Hα-helixtrans-65.9-49.2177.8-64.70000111.4K311 Y312 R317 N318 L319K311-T315 PolarHBondContact O-N 3.29Å; K311-T315 PolarHBondContact O-OG1 3.35Å; Y312-T315 PolarHBondContact O-N 2.58Å; T315-R317 VanDerWaalsContact C-N 3.28Å; T315-R317 PolarHBondContact O-N 3.17Å; T315-N318 PolarHBondContact O-N 3.24Å; T315-L319 WeakPolarHBondContact O-CB 3.19Å; T315-L319 PolarHBondContact O-N 3.22Å
316L65.3Low58.9Low47 Ų4788.9 Ų88.925%0.24647%0.469CS..Hα-helixtrans-60.1-39.5176.5-176.166.6000111.3Y312 W313 L319 L320Y312-L316 HydrophobicContact CE1-CD2 3.97Å; Y312-L316 VanDerWaalsContact O-CB 3.26Å; Y312-L316 WeakPolarHBondContact O-CB 3.23Å; Y312-L316 PolarHBondContact O-N 2.83Å; W313-L316 HydrophobicContact CE3-CD2 4.13Å; W313-L316 HydrophobicContact CZ3-CD2 4.03Å; L316-L319 WeakPolarHBondContact O-CB 3.3Å; L316-L319 PolarHBondContact O-N 3.42Å; L316-L320 HydrophobicContact CD1-CD1 4.26Å; L316-L320 HydrophobicContact CD1-CG 4.47Å; L316-L320 HydrophobicContact CD2-CD1 4.48Å; L316-L320 HydrophobicContact CG-CD1 3.9Å; L316-L320 HydrophobicContact CG-CG 4.46Å; L316-L320 WeakPolarHBondContact O-CB 3.39Å; L316-L320 VanDerWaalsContact O-CG 3.25Å; L316-L320 WeakPolarHBondContact O-CG 3.34Å; L316-L320 PolarHBondContact O-N 2.9Å
317R56.1Low58.8Low44 Ų4494.1 Ų94.117%0.16649%0.492CS..Hα-helixtrans-70.5-39.7177.5-172.9-176.6171.5170.9-4.4112.6W313 M314 T315 L319 L320 F321 P329W313-R317 WeakPolarHBondContact O-CB 3.2Å; W313-R317 PolarHBondContact O-N 3.16Å; M314-R317 PolarHBondContact O-N 3.18Å; T315-R317 VanDerWaalsContact C-N 3.28Å; T315-R317 PolarHBondContact O-N 3.17Å; R317-L319 PolarHBondContact O-N 3.32Å; R317-L320 PolarHBondContact O-N 3Å; R317-F321 HydrophobicContact CB-CD2 4.45Å; R317-F321 HydrophobicContact CG-CD2 3.58Å; R317-F321 HydrophobicContact CG-CE2 4.09Å; R317-F321 WeakPolarHBondContact O-CB 3.48Å; R317-F321 WeakPolarHBondContact O-CD2 3.3Å; R317-F321 PolarHBondContact O-N 3.35Å; R317-P329 PolarHBondContact NH1-O 3.28Å; R317-P329 PolarHBondContact NH2-O 3.22Å
318N64.9Low59.1Low97 Ų9797.6 Ų97.652%0.51950%0.504SS..Hα-helixtrans-62.6-36.1173.7-77.9-20.9000111.4M314 T315 A322M314-N318 WeakPolarHBondContact O-CB 3.35Å; M314-N318 VanDerWaalsContact O-CG 3.25Å; M314-N318 PolarHBondContact O-N 3.32Å; M314-N318 PolarHBondContact O-ND2 3.48Å; T315-N318 PolarHBondContact O-N 3.24Å; N318-A322 PolarHBondContact O-N 3.19Å
319L68.5Low59.6Low139 Ų13998.1 Ų98.173%0.72851%0.509SS*.Hα-helixtrans-67.5-46.4173.2-175.470.4000112.3T315 L316 R317T315-L319 WeakPolarHBondContact O-CB 3.19Å; T315-L319 PolarHBondContact O-N 3.22Å; L316-L319 WeakPolarHBondContact O-CB 3.3Å; L316-L319 PolarHBondContact O-N 3.42Å; R317-L319 PolarHBondContact O-N 3.32Å
320L66.2Low60.6Low113 Ų11395.6 Ų95.659%0.59249%0.494SS*.Hα-helixtrans-75.7-25-176-72.5172.5000114.8L316 R317L316-L320 HydrophobicContact CD1-CD1 4.26Å; L316-L320 HydrophobicContact CD1-CG 4.47Å; L316-L320 HydrophobicContact CD2-CD1 4.48Å; L316-L320 HydrophobicContact CG-CD1 3.9Å; L316-L320 HydrophobicContact CG-CG 4.46Å; L316-L320 WeakPolarHBondContact O-CB 3.39Å; L316-L320 VanDerWaalsContact O-CG 3.25Å; L316-L320 WeakPolarHBondContact O-CG 3.34Å; L316-L320 PolarHBondContact O-N 2.9Å; R317-L320 PolarHBondContact O-N 3Å
321F60.6Low61.5Low122 Ų12296.5 Ų96.554%0.53550%0.497SS..THydrogen-bonded Turntrans-126.329.3-171.1-60-84.5000113.7R317 R328R317-F321 HydrophobicContact CB-CD2 4.45Å; R317-F321 HydrophobicContact CG-CD2 3.58Å; R317-F321 HydrophobicContact CG-CE2 4.09Å; R317-F321 WeakPolarHBondContact O-CB 3.48Å; R317-F321 WeakPolarHBondContact O-CD2 3.3Å; R317-F321 PolarHBondContact O-N 3.35Å; F321-R328 PolarHBondContact O-NH2 3.31Å
322A50.9Low62.6Low69 Ų6991.5 Ų91.557%0.5748%0.475SS*.  trans-81.4139.416200000109.9N318N318-A322 PolarHBondContact O-N 3.19Å
323P51.9Low63.8Low113 Ų11390.2 Ų90.273%0.73447%0.472SS*.SBendcis-90.2176.40.737.6-33.9000112.7A325P323-A325 PolarHBondContact O-N 3.39Å; P323-A325 VanDerWaalsContact O-N 3.13Å
324P50.8Low65Low98 Ų9888 Ų8864%0.63647%0.468SS*.  trans-77.8106.8-163.330.1-34.1000113.7
325A50.1Low66Low69 Ų6987.7 Ų87.757%0.5747%0.467SS*.  trans-59.3142.3161.400000110.8P323 E327 R328P323-A325 PolarHBondContact O-N 3.39Å; P323-A325 VanDerWaalsContact O-N 3.13Å; A325-E327 PolarHBondContact O-N 3.45Å; A325-R328 PolarHBondContact O-N 2.95Å
326K54.9Low67.2Low217 Ų21784.9 Ų84.994%0.94345%0.449SS*.THydrogen-bonded Turntrans-57.8-20.8179-70.6177.6176.7174.70114
327E56.1Low68.3Low173 Ų17388 Ų8881%0.80846%0.462SS*.THydrogen-bonded Turntrans-125.151.4-174-64.6175.2-174.100110.9A325 P329A325-E327 PolarHBondContact O-N 3.45Å; E327-P329 WeakPolarHBondContact O-CD 3.42Å
328R61Low69.8Low80 Ų8089.8 Ų89.830%0.30248%0.475SS..PPolyproline II helixtrans-62117.4168.1-80179.9169.7179.7-1.3108.7F321 A325 S330F321-R328 PolarHBondContact O-NH2 3.31Å; A325-R328 PolarHBondContact O-N 2.95Å; R328-S330 PolarHBondContact O-N 3.45Å
329P66.4Low70.9Confident78 Ų7885.3 Ų85.351%0.50645%0.451SS..PPolyproline II helixtrans-65.4124.7177.224.4-32.7000109.2R317 E327 F331 M334R317-P329 PolarHBondContact NH1-O 3.28Å; R317-P329 PolarHBondContact NH2-O 3.22Å; E327-P329 WeakPolarHBondContact O-CD 3.42Å; P329-F331 PolarHBondContact O-N 2.98Å; P329-M334 HydrophobicContact CB-SD 4.3Å; P329-M334 HydrophobicContact CG-SD 4.37Å
330S78.6Confident72Confident20 Ų2080.3 Ų80.314%0.1443%0.43CS..PPolyproline II helixtrans-49.4122.3179.4162.80000111R328 A332 K333 M334 L368 E371R328-S330 PolarHBondContact O-N 3.45Å; S330-A332 PolarHBondContact O-N 2.53Å; S330-A332 PolarHBondContact OG-N 2.56Å; S330-K333 PolarHBondContact O-N 2.86Å; S330-K333 WeakPolarHBondContact OG-CG 2.99Å; S330-K333 PolarHBondContact OG-N 3.37Å; S330-M334 WeakPolarHBondContact O-CG 3.41Å; S330-M334 PolarHBondContact O-N 3.43Å; S330-M334 VanDerWaalsContact O-N 3.12Å; S330-L368 WeakPolarHBondContact OG-CD1 3.43Å; S330-E371 WeakPolarHBondContact CA-OE2 3.39Å; S330-E371 WeakPolarHBondContact CB-OE2 3.36Å; S330-E371 PolarHBondContact OG-OE2 3.02Å
331F78.4Confident73.2Confident31 Ų3180 Ų8014%0.13642%0.424CS..Hα-helixtrans-64.9-39177.5176.6-91.4000109.4P310 W313 P329 K333 M334 L335 M367 E371P310-F331 HydrophobicContact CB-CE1 4.05Å; P310-F331 HydrophobicContact CB-CZ 4.42Å; W313-F331 HydrophobicContact CB-CE2 3.85Å; W313-F331 HydrophobicContact CB-CZ 4.02Å; W313-F331 HydrophobicContact CG-CE2 4.46Å; P329-F331 PolarHBondContact O-N 2.98Å; F331-K333 PolarHBondContact O-N 2.9Å; F331-M334 PolarHBondContact O-N 3.07Å; F331-L335 HydrophobicContact CE1-CB 4.38Å; F331-L335 HydrophobicContact CE1-CD2 4.04Å; F331-L335 WeakPolarHBondContact O-CB 3.05Å; F331-L335 PolarHBondContact O-N 3.24Å; F331-M367 HydrophobicContact CD1-CE 3.54Å; F331-M367 HydrophobicContact CE1-CE 3.66Å; F331-M367 HydrophobicContact CE1-SD 4.47Å; F331-E371 PolarHBondContact N-OE1 3.27Å
332A84.3Confident74.5Confident0 Ų075.9 Ų75.90%041%0.412CS..Hα-helixtrans-60.5-41175.600000113.2S330 L335 L336 A364 M367 L368 E371S330-A332 PolarHBondContact O-N 2.53Å; S330-A332 PolarHBondContact OG-N 2.56Å; A332-L335 PolarHBondContact O-N 3.26Å; A332-L336 WeakPolarHBondContact O-CB 3.25Å; A332-L336 VanDerWaalsContact O-CG 3.24Å; A332-L336 WeakPolarHBondContact O-CG 3.31Å; A332-L336 PolarHBondContact O-N 2.92Å; A332-A364 WeakPolarHBondContact CB-O 3.49Å; A332-M367 HydrophobicContact CB-CB 3.92Å; A332-L368 VanDerWaalsContact CB-CA 3.45Å; A332-L368 HydrophobicContact CB-CB 3.6Å; A332-L368 HydrophobicContact CB-CD1 4.12Å; A332-L368 HydrophobicContact CB-CG 4.44Å; A332-L368 VanDerWaalsContact CB-N 3.26Å; A332-E371 PolarHBondContact N-OE1 2.79Å
333K86.8Confident76.4Confident121 Ų12176 Ų7653%0.52640%0.401SS..Hα-helixtrans-63.1-46.4172.9-73.5-176.9-171.7-178.90112S330 F331 L335 L336 E337 L368S330-K333 PolarHBondContact O-N 2.86Å; S330-K333 WeakPolarHBondContact OG-CG 2.99Å; S330-K333 PolarHBondContact OG-N 3.37Å; F331-K333 PolarHBondContact O-N 2.9Å; K333-L335 VanDerWaalsContact C-N 3.32Å; K333-L335 PolarHBondContact O-N 3.41Å; K333-L336 PolarHBondContact O-N 2.86Å; K333-E337 WeakPolarHBondContact O-CG 3.39Å; K333-E337 PolarHBondContact O-N 2.87Å; K333-L368 HydrophobicContact CG-CD1 4.03Å
334M84.8Confident78.3Confident83 Ų8379.4 Ų79.441%0.40940%0.404SS..Hα-helixtrans-57.8-45.8176.9-67.7173.862.300111.4P329 S330 F331 L336 E337 D338P329-M334 HydrophobicContact CB-SD 4.3Å; P329-M334 HydrophobicContact CG-SD 4.37Å; S330-M334 WeakPolarHBondContact O-CG 3.41Å; S330-M334 PolarHBondContact O-N 3.43Å; S330-M334 VanDerWaalsContact O-N 3.12Å; F331-M334 PolarHBondContact O-N 3.07Å; M334-L336 PolarHBondContact O-N 3.26Å; M334-E337 WeakPolarHBondContact O-CB 3.26Å; M334-E337 PolarHBondContact O-N 3.32Å; M334-D338 PolarHBondContact O-N 2.91Å
335L84.9Confident80.2Confident35 Ų3581.3 Ų81.318%0.18341%0.408CS..Hα-helixtrans-62.9-40.9177-177.658000111.9F331 A332 K333 D338 I339 A364 M367F331-L335 HydrophobicContact CE1-CB 4.38Å; F331-L335 HydrophobicContact CE1-CD2 4.04Å; F331-L335 WeakPolarHBondContact O-CB 3.05Å; F331-L335 PolarHBondContact O-N 3.24Å; A332-L335 PolarHBondContact O-N 3.26Å; K333-L335 VanDerWaalsContact C-N 3.32Å; K333-L335 PolarHBondContact O-N 3.41Å; L335-D338 PolarHBondContact O-N 2.97Å; L335-I339 HydrophobicContact CD1-CD1 4.14Å; L335-I339 HydrophobicContact CD1-CG1 4.37Å; L335-I339 HydrophobicContact CG-CD1 3.91Å; L335-I339 WeakPolarHBondContact O-CB 3.3Å; L335-I339 VanDerWaalsContact O-CD1 3.3Å; L335-I339 WeakPolarHBondContact O-CD1 3.43Å; L335-I339 WeakPolarHBondContact O-CG1 3.23Å; L335-I339 PolarHBondContact O-N 3.28Å; L335-A364 HydrophobicContact CB-CB 4.24Å; L335-A364 HydrophobicContact CD2-CB 3.7Å; L335-A364 HydrophobicContact CG-CB 3.84Å; L335-M367 HydrophobicContact CD2-SD 4.45Å
336L88.8Confident82Confident34 Ų3480.5 Ų80.518%0.17839%0.394CS..Hα-helixtrans-63.5-38174-73.3167000112.7A332 K333 M334 A340 R361 A364 L368A332-L336 WeakPolarHBondContact O-CB 3.25Å; A332-L336 VanDerWaalsContact O-CG 3.24Å; A332-L336 WeakPolarHBondContact O-CG 3.31Å; A332-L336 PolarHBondContact O-N 2.92Å; K333-L336 PolarHBondContact O-N 2.86Å; M334-L336 PolarHBondContact O-N 3.26Å; L336-A340 WeakPolarHBondContact O-CB 3.29Å; L336-A340 PolarHBondContact O-N 3.2Å; L336-R361 HydrophobicContact CD2-CG 3.94Å; L336-A364 HydrophobicContact CD2-CB 3.8Å; L336-A364 HydrophobicContact CG-CB 3.82Å; L336-L368 HydrophobicContact CD1-CD2 3.98Å
337E89.5Confident83.4Confident111 Ų11179.5 Ų79.552%0.51939%0.39SS..Hα-helixtrans-66.6-42.8174.4-73.2170.8-154.300111.9K333 M334 A340 K341K333-E337 WeakPolarHBondContact O-CG 3.39Å; K333-E337 PolarHBondContact O-N 2.87Å; M334-E337 WeakPolarHBondContact O-CB 3.26Å; M334-E337 PolarHBondContact O-N 3.32Å; E337-A340 PolarHBondContact O-N 2.89Å; E337-K341 WeakPolarHBondContact O-CG 3.24Å; E337-K341 PolarHBondContact O-N 3.48Å
338D87.1Confident84.7Confident82 Ų8273.7 Ų73.744%0.43938%0.377SS..Hα-helixtrans-68.9-37.6178.1-72-24.1000112.1M334 L335 K341 A342M334-D338 PolarHBondContact O-N 2.91Å; L335-D338 PolarHBondContact O-N 2.97Å; D338-K341 WeakPolarHBondContact O-CB 3.38Å; D338-K341 PolarHBondContact O-N 3.45Å; D338-K341 IonicContact OD1-NZ 2.66Å; D338-K341 PolarHBondContact OD1-NZ 3.3Å; D338-A342 WeakPolarHBondContact O-CB 3.47Å; D338-A342 PolarHBondContact O-N 3.08Å
339I88.6Confident85.8Confident3 Ų376.3 Ų76.32%0.01540%0.396CS..Hα-helixtrans-61.2-44.5169.4-68159.5000110.5L335 K341 A342 E343 L357 Q360 R361 A364L335-I339 HydrophobicContact CD1-CD1 4.14Å; L335-I339 HydrophobicContact CD1-CG1 4.37Å; L335-I339 HydrophobicContact CG-CD1 3.91Å; L335-I339 WeakPolarHBondContact O-CB 3.3Å; L335-I339 VanDerWaalsContact O-CD1 3.3Å; L335-I339 WeakPolarHBondContact O-CD1 3.43Å; L335-I339 WeakPolarHBondContact O-CG1 3.23Å; L335-I339 PolarHBondContact O-N 3.28Å; I339-K341 VanDerWaalsContact C-N 3.26Å; I339-K341 PolarHBondContact O-N 3.4Å; I339-A342 PolarHBondContact O-N 3.01Å; I339-A342 VanDerWaalsContact O-N 3.16Å; I339-E343 WeakPolarHBondContact O-CG 3.12Å; I339-E343 PolarHBondContact O-N 3.01Å; I339-L357 HydrophobicContact CG2-CB 4.25Å; I339-L357 HydrophobicContact CG2-CD2 4.33Å; I339-Q360 HydrophobicContact CD1-CB 3.82Å; I339-Q360 HydrophobicContact CG1-CB 4.28Å; I339-R361 HydrophobicContact CD1-CB 4.33Å; I339-R361 HydrophobicContact CG2-CB 4.32Å; I339-A364 HydrophobicContact CD1-CB 4.24Å
340A91Very high86.8Confident34 Ų3476.2 Ų76.228%0.28139%0.392SS..Hα-helixtrans-66.2-25.7177.200000113.4L336 E337 K344L336-A340 WeakPolarHBondContact O-CB 3.29Å; L336-A340 PolarHBondContact O-N 3.2Å; E337-A340 PolarHBondContact O-N 2.89Å; A340-K344 WeakPolarHBondContact O-CG 3.24Å
341K91.4Very high87.3Confident107 Ų10782.1 Ų82.147%0.46542%0.415SS..Hα-helixtrans-72.9-46.4168.4-66.8164.2-155.1159.40110.8E337 D338 I339 E343 K344 L345E337-K341 WeakPolarHBondContact O-CG 3.24Å; E337-K341 PolarHBondContact O-N 3.48Å; D338-K341 WeakPolarHBondContact O-CB 3.38Å; D338-K341 PolarHBondContact O-N 3.45Å; D338-K341 IonicContact OD1-NZ 2.66Å; D338-K341 PolarHBondContact OD1-NZ 3.3Å; I339-K341 VanDerWaalsContact C-N 3.26Å; I339-K341 PolarHBondContact O-N 3.4Å; K341-E343 VanDerWaalsContact C-N 3.35Å; K341-E343 PolarHBondContact O-N 2.86Å; K341-K344 PolarHBondContact O-N 3.42Å; K341-L345 WeakPolarHBondContact O-CG 3.48Å; K341-L345 PolarHBondContact O-N 2.8Å
342A88.3Confident87.6Confident35 Ų3585.9 Ų85.929%0.28944%0.44SS..Hα-helixtrans-59.4-43.2179.200000112.1D338 I339 K344 L345 L346 L357D338-A342 WeakPolarHBondContact O-CB 3.47Å; D338-A342 PolarHBondContact O-N 3.08Å; I339-A342 PolarHBondContact O-N 3.01Å; I339-A342 VanDerWaalsContact O-N 3.16Å; A342-K344 VanDerWaalsContact C-N 3.33Å; A342-K344 PolarHBondContact O-N 2.85Å; A342-L345 PolarHBondContact O-N 3.24Å; A342-L346 PolarHBondContact O-N 2.98Å; A342-L346 VanDerWaalsContact O-N 3.13Å; A342-L357 HydrophobicContact CB-CD1 3.92Å; A342-L357 HydrophobicContact CB-CD2 3.93Å
343E90.5Very high87.7Confident73 Ų7386.9 Ų86.934%0.34145%0.449SS..Hα-helixtrans-61.1-37.6175.5-73.9-176.1155.700113.3I339 K341 L345 L346 L357 R361I339-E343 WeakPolarHBondContact O-CG 3.12Å; I339-E343 PolarHBondContact O-N 3.01Å; K341-E343 VanDerWaalsContact C-N 3.35Å; K341-E343 PolarHBondContact O-N 2.86Å; E343-L345 PolarHBondContact O-N 3.08Å; E343-L346 PolarHBondContact O-N 3.43Å; E343-L357 HydrophobicContact CB-CD1 4.49Å; E343-L357 HydrophobicContact CG-CB 4.45Å; E343-L357 HydrophobicContact CG-CD1 3.64Å; E343-R361 VanDerWaalsContact CD-NH1 3.32Å; E343-R361 VanDerWaalsContact CD-NH2 3.26Å; E343-R361 IonicContact OE1-CZ 3.79Å; E343-R361 IonicContact OE1-NH1 2.65Å; E343-R361 PolarHBondContact OE1-NH1 2.86Å; E343-R361 IonicContact OE1-NH2 3.39Å; E343-R361 PolarHBondContact OE1-NH2 3.23Å; E343-R361 IonicContact OE2-CZ 2.86Å; E343-R361 IonicContact OE2-NH1 3.75Å; E343-R361 PolarHBondContact OE2-NH1 3.42Å; E343-R361 IonicContact OE2-NH2 2.69Å; E343-R361 PolarHBondContact OE2-NH2 3.22Å
344K91.8Very high87.6Confident183 Ų18386.3 Ų86.380%0.79644%0.443SS*.Hα-helixtrans-69.1-20.1175.1-70.9173.1-176.5-178.70113.2A340 K341 A342A340-K344 WeakPolarHBondContact O-CG 3.24Å; K341-K344 PolarHBondContact O-N 3.42Å; A342-K344 VanDerWaalsContact C-N 3.33Å; A342-K344 PolarHBondContact O-N 2.85Å
345L90.4Very high87.6Confident138 Ų13886.1 Ų86.172%0.72344%0.444SS*.Hα-helixtrans-92.6-14.2177.8-66.4174.1000113K341 A342 E343 K347K341-L345 WeakPolarHBondContact O-CG 3.48Å; K341-L345 PolarHBondContact O-N 2.8Å; A342-L345 PolarHBondContact O-N 3.24Å; E343-L345 PolarHBondContact O-N 3.08Å; L345-K347 PolarHBondContact O-N 3.37Å
346L87.7Confident87.5Confident52 Ų5288.4 Ų88.427%0.27245%0.453SS..  trans-64.7120.4174.6-75.6178000110.7A342 E343 A353 R354 L357A342-L346 PolarHBondContact O-N 2.98Å; A342-L346 VanDerWaalsContact O-N 3.13Å; E343-L346 PolarHBondContact O-N 3.43Å; L346-A353 HydrophobicContact CD1-CB 4.32Å; L346-A353 HydrophobicContact CD2-CB 3.62Å; L346-R354 HydrophobicContact CD1-CG 3.81Å; L346-L357 HydrophobicContact CD1-CD1 3.68Å; L346-L357 HydrophobicContact CG-CD1 4.32Å
347K84.9Confident87.3Confident196 Ų19687.7 Ų87.785%0.85245%0.45SS*.  trans-98.2125.5175.2-65.9179.2-179.4177.60109.5L345L345-K347 PolarHBondContact O-N 3.37Å
348G83.4Confident87.1Confident52 Ų5284.9 Ų84.954%0.53645%0.445SS..SBendtrans70.7-166.517800000113.9D350 R354G348-D350 PolarHBondContact O-N 3.44Å; G348-R354 PolarHBondContact O-NH2 3.36Å
349D83.6Confident86.8Confident134 Ų13487.5 Ų87.572%0.71745%0.453SS*.  trans-9254.2-173.3-67.8-40.1000113.6K351 R354D349-K351 VanDerWaalsContact C-N 3.28Å; D349-K351 PolarHBondContact O-N 3.26Å; D349-R354 IonicContact OD1-CZ 2.65Å; D349-R354 IonicContact OD1-NH1 2.75Å; D349-R354 PolarHBondContact OD1-NH1 3.03Å; D349-R354 IonicContact OD1-NH2 3.17Å; D349-R354 PolarHBondContact OD1-NH2 2.8Å
350D88.1Confident86.4Confident76 Ų7690 Ų9041%0.40646%0.464SS..  trans-68.789.8166.8-170.5-20000110.1G348 V352 A353 R354G348-D350 PolarHBondContact O-N 3.44Å; D350-V352 VanDerWaalsContact C-N 3.29Å; D350-V352 PolarHBondContact O-N 3.39Å; D350-V352 PolarHBondContact OD1-N 2.85Å; D350-A353 HydrophobicContact CB-CB 4.15Å; D350-A353 VanDerWaalsContact CG-CB 3.48Å; D350-A353 PolarHBondContact OD1-N 3.06Å; D350-A353 WeakPolarHBondContact OD2-CB 3.23Å; D350-R354 WeakPolarHBondContact O-CB 3.42Å; D350-R354 VanDerWaalsContact O-CG 3.28Å; D350-R354 WeakPolarHBondContact O-CG 3.38Å; D350-R354 PolarHBondContact O-N 3.36Å; D350-R354 VanDerWaalsContact O-N 3.1Å
351K88.2Confident86.1Confident144 Ų14492 Ų9263%0.62647%0.465SS*.Hα-helixtrans-62.6-35.9178.1-172.6-179.9177.2-176.20112D349 R354 D355D349-K351 VanDerWaalsContact C-N 3.28Å; D349-K351 PolarHBondContact O-N 3.26Å; K351-R354 PolarHBondContact O-N 3.24Å; K351-D355 WeakPolarHBondContact O-CB 3.42Å; K351-D355 PolarHBondContact O-N 2.8Å
352V86.1Confident85.7Confident111 Ų11189.1 Ų89.167%0.67345%0.452SS*.Hα-helixtrans-68.9-46.7-176.2-179.60000110D350 D355 Q356D350-V352 VanDerWaalsContact C-N 3.29Å; D350-V352 PolarHBondContact O-N 3.39Å; D350-V352 PolarHBondContact OD1-N 2.85Å; V352-D355 PolarHBondContact O-N 3.03Å; V352-Q356 PolarHBondContact O-N 3.49Å
353A84.8Confident85.3Confident21 Ų2188 Ų8817%0.17444%0.442CS..Hα-helixtrans-65.3-38.4176.200000112.2L346 D350 Q356 L357L346-A353 HydrophobicContact CD1-CB 4.32Å; L346-A353 HydrophobicContact CD2-CB 3.62Å; D350-A353 HydrophobicContact CB-CB 4.15Å; D350-A353 VanDerWaalsContact CG-CB 3.48Å; D350-A353 PolarHBondContact OD1-N 3.06Å; D350-A353 WeakPolarHBondContact OD2-CB 3.23Å; A353-Q356 PolarHBondContact O-N 3.46Å; A353-L357 WeakPolarHBondContact O-CG 3.35Å; A353-L357 PolarHBondContact O-N 3.12Å
354R85.9Confident85Confident108 Ų10884.6 Ų84.641%0.40843%0.426SS..Hα-helixtrans-62.8-45.2173.3-72.4175.7-173.7167.33.7112.2L346 G348 D349 D350 K351 Q356 L357 A358L346-R354 HydrophobicContact CD1-CG 3.81Å; G348-R354 PolarHBondContact O-NH2 3.36Å; D349-R354 IonicContact OD1-CZ 2.65Å; D349-R354 IonicContact OD1-NH1 2.75Å; D349-R354 PolarHBondContact OD1-NH1 3.03Å; D349-R354 IonicContact OD1-NH2 3.17Å; D349-R354 PolarHBondContact OD1-NH2 2.8Å; D350-R354 WeakPolarHBondContact O-CB 3.42Å; D350-R354 VanDerWaalsContact O-CG 3.28Å; D350-R354 WeakPolarHBondContact O-CG 3.38Å; D350-R354 PolarHBondContact O-N 3.36Å; D350-R354 VanDerWaalsContact O-N 3.1Å; K351-R354 PolarHBondContact O-N 3.24Å; R354-Q356 VanDerWaalsContact C-N 3.26Å; R354-Q356 PolarHBondContact O-N 3.38Å; R354-L357 PolarHBondContact O-N 3.39Å; R354-A358 VanDerWaalsContact O-CB 3.31Å; R354-A358 WeakPolarHBondContact O-CB 3.4Å; R354-A358 PolarHBondContact O-N 2.64Å
355D84.4Confident84.7Confident80 Ų8079 Ų7943%0.42841%0.405SS..Hα-helixtrans-63.6-32.8177.1-72.6-14.1000111.5K351 V352 K359K351-D355 WeakPolarHBondContact O-CB 3.42Å; K351-D355 PolarHBondContact O-N 2.8Å; V352-D355 PolarHBondContact O-N 3.03Å; D355-K359 WeakPolarHBondContact O-CG 3.06Å; D355-K359 PolarHBondContact O-N 2.95Å
356Q82.7Confident84.3Confident82 Ų8272.7 Ų72.738%0.38337%0.372SS..Hα-helixtrans-71.9-48.6174.1-167.2176.110.400112.2D306 V352 A353 R354 A358 K359 Q360D306-Q356 PolarHBondContact OD1-NE2 3.2Å; D306-Q356 VanDerWaalsContact OD2-CG 3.31Å; D306-Q356 WeakPolarHBondContact OD2-CG 3.44Å; D306-Q356 PolarHBondContact OD2-NE2 3.08Å; V352-Q356 PolarHBondContact O-N 3.49Å; A353-Q356 PolarHBondContact O-N 3.46Å; R354-Q356 VanDerWaalsContact C-N 3.26Å; R354-Q356 PolarHBondContact O-N 3.38Å; Q356-A358 VanDerWaalsContact C-N 3.27Å; Q356-A358 PolarHBondContact O-N 2.93Å; Q356-K359 WeakPolarHBondContact O-CB 3.36Å; Q356-K359 PolarHBondContact O-N 3.37Å; Q356-K359 VanDerWaalsContact O-N 3.16Å; Q356-Q360 WeakPolarHBondContact O-CG 3.21Å; Q356-Q360 PolarHBondContact O-N 3.44Å
357L85.2Confident84Confident19 Ų1970.2 Ų70.210%0.09936%0.359CS..Hα-helixtrans-62.4-33.8176.3-69.2-179.8000112.1I339 A342 E343 L346 A353 R354 Q360 R361I339-L357 HydrophobicContact CG2-CB 4.25Å; I339-L357 HydrophobicContact CG2-CD2 4.33Å; A342-L357 HydrophobicContact CB-CD1 3.92Å; A342-L357 HydrophobicContact CB-CD2 3.93Å; E343-L357 HydrophobicContact CB-CD1 4.49Å; E343-L357 HydrophobicContact CG-CB 4.45Å; E343-L357 HydrophobicContact CG-CD1 3.64Å; L346-L357 HydrophobicContact CD1-CD1 3.68Å; L346-L357 HydrophobicContact CG-CD1 4.32Å; A353-L357 WeakPolarHBondContact O-CG 3.35Å; A353-L357 PolarHBondContact O-N 3.12Å; R354-L357 PolarHBondContact O-N 3.39Å; L357-Q360 PolarHBondContact O-N 3.24Å; L357-R361 WeakPolarHBondContact O-CB 3.49Å; L357-R361 PolarHBondContact O-N 3.09Å
358A84.8Confident83.9Confident52 Ų5261.8 Ų61.843%0.4332%0.323SS..Hα-helixtrans-62.9-43.9173.100000112.2R354 Q356 R361 F362R354-A358 VanDerWaalsContact O-CB 3.31Å; R354-A358 WeakPolarHBondContact O-CB 3.4Å; R354-A358 PolarHBondContact O-N 2.64Å; Q356-A358 VanDerWaalsContact C-N 3.27Å; Q356-A358 PolarHBondContact O-N 2.93Å; A358-R361 PolarHBondContact O-N 3.42Å; A358-F362 WeakPolarHBondContact O-CB 3.19Å; A358-F362 PolarHBondContact O-N 3.1Å
359K80.7Confident83.7Confident138 Ų13861.4 Ų61.460%0.631%0.307SS*.Hα-helixtrans-63.2-44.7173.8-70.3165.5-174.3170.20111.7D355 Q356 R361 F362 V363D355-K359 WeakPolarHBondContact O-CG 3.06Å; D355-K359 PolarHBondContact O-N 2.95Å; Q356-K359 WeakPolarHBondContact O-CB 3.36Å; Q356-K359 PolarHBondContact O-N 3.37Å; Q356-K359 VanDerWaalsContact O-N 3.16Å; K359-R361 VanDerWaalsContact C-N 3.34Å; K359-R361 PolarHBondContact O-N 3.32Å; K359-F362 WeakPolarHBondContact O-CB 3.37Å; K359-F362 PolarHBondContact O-N 3.41Å; K359-V363 WeakPolarHBondContact O-CG2 3.49Å; K359-V363 PolarHBondContact O-N 3.12Å
360Q81.2Confident83.5Confident54 Ų5457.3 Ų57.325%0.25228%0.283SS..Hα-helixtrans-63-40.2176.9-68.9179.72.900111.6D306 I339 Q356 L357 V363 A364D306-Q360 PolarHBondContact OD2-NE2 3.42Å; I339-Q360 HydrophobicContact CD1-CB 3.82Å; I339-Q360 HydrophobicContact CG1-CB 4.28Å; Q356-Q360 WeakPolarHBondContact O-CG 3.21Å; Q356-Q360 PolarHBondContact O-N 3.44Å; L357-Q360 PolarHBondContact O-N 3.24Å; Q360-V363 PolarHBondContact O-N 3.36Å; Q360-A364 VanDerWaalsContact O-CB 3.31Å; Q360-A364 WeakPolarHBondContact O-CB 3.41Å; Q360-A364 PolarHBondContact O-N 3.3Å
361R84.9Confident83.1Confident77 Ų7755.4 Ų55.429%0.29127%0.272SS..Hα-helixtrans-62.9-42.4173.9171.1173-73.2138.61.9111.6L336 I339 E343 L357 A358 K359 A364 N365L336-R361 HydrophobicContact CD2-CG 3.94Å; I339-R361 HydrophobicContact CD1-CB 4.33Å; I339-R361 HydrophobicContact CG2-CB 4.32Å; E343-R361 VanDerWaalsContact CD-NH1 3.32Å; E343-R361 VanDerWaalsContact CD-NH2 3.26Å; E343-R361 IonicContact OE1-CZ 3.79Å; E343-R361 IonicContact OE1-NH1 2.65Å; E343-R361 PolarHBondContact OE1-NH1 2.86Å; E343-R361 IonicContact OE1-NH2 3.39Å; E343-R361 PolarHBondContact OE1-NH2 3.23Å; E343-R361 IonicContact OE2-CZ 2.86Å; E343-R361 IonicContact OE2-NH1 3.75Å; E343-R361 PolarHBondContact OE2-NH1 3.42Å; E343-R361 IonicContact OE2-NH2 2.69Å; E343-R361 PolarHBondContact OE2-NH2 3.22Å; L357-R361 WeakPolarHBondContact O-CB 3.49Å; L357-R361 PolarHBondContact O-N 3.09Å; A358-R361 PolarHBondContact O-N 3.42Å; K359-R361 VanDerWaalsContact C-N 3.34Å; K359-R361 PolarHBondContact O-N 3.32Å; R361-A364 PolarHBondContact O-N 3.24Å; R361-N365 WeakPolarHBondContact O-CB 3.45Å; R361-N365 PolarHBondContact O-N 2.93Å; R361-N365 PolarHBondContact O-ND2 3.4Å
362F82.7Confident82.5Confident47 Ų4754 Ų5421%0.20626%0.263CS..Hα-helixtrans-60.8-49.1176.9-179.7-89.1000111.2P208 L210 A211 M219 A358 K359 A364 N365 L366P208-F362 HydrophobicContact CB-CE1 4.49Å; L210-F362 HydrophobicContact CB-CE1 4.17Å; L210-F362 HydrophobicContact CB-CZ 3.68Å; L210-F362 WeakPolarHBondContact O-CZ 3.38Å; A211-F362 HydrophobicContact CB-CD1 3.56Å; A211-F362 HydrophobicContact CB-CD2 4.41Å; A211-F362 HydrophobicContact CB-CE1 3.53Å; A211-F362 HydrophobicContact CB-CE2 4.4Å; A211-F362 HydrophobicContact CB-CG 4.02Å; A211-F362 HydrophobicContact CB-CZ 4Å; M219-F362 HydrophobicContact CE-CE2 4.23Å; M219-F362 HydrophobicContact CE-CZ 4.18Å; A358-F362 WeakPolarHBondContact O-CB 3.19Å; A358-F362 PolarHBondContact O-N 3.1Å; K359-F362 WeakPolarHBondContact O-CB 3.37Å; K359-F362 PolarHBondContact O-N 3.41Å; F362-A364 PolarHBondContact O-N 3.47Å; F362-N365 PolarHBondContact O-N 3.11Å; F362-L366 HydrophobicContact CD1-CD1 4.17Å; F362-L366 HydrophobicContact CD1-CG 4.27Å; F362-L366 HydrophobicContact CE1-CD1 3.38Å; F362-L366 HydrophobicContact CE1-CD2 4.31Å; F362-L366 HydrophobicContact CE1-CG 3.71Å; F362-L366 HydrophobicContact CZ-CD1 3.93Å; F362-L366 HydrophobicContact CZ-CD2 4.08Å; F362-L366 HydrophobicContact CZ-CG 3.99Å; F362-L366 PolarHBondContact O-N 3.45Å
363V80.4Confident81.8Confident12 Ų1249.4 Ų49.47%0.07323%0.234CC..Hα-helixtrans-58.7-46.6174.8169.50000111W205 K359 Q360 N365 L366 M367W205-V363 HydrophobicContact CD2-CG1 4.47Å; W205-V363 HydrophobicContact CE3-CG1 3.55Å; W205-V363 HydrophobicContact CZ3-CG1 4.01Å; K359-V363 WeakPolarHBondContact O-CG2 3.49Å; K359-V363 PolarHBondContact O-N 3.12Å; Q360-V363 PolarHBondContact O-N 3.36Å; V363-N365 VanDerWaalsContact C-N 3.31Å; V363-N365 PolarHBondContact O-N 3.32Å; V363-L366 PolarHBondContact O-N 2.85Å; V363-L366 VanDerWaalsContact O-N 3.15Å; V363-M367 HydrophobicContact CG1-CG 4.33Å; V363-M367 HydrophobicContact CG1-SD 3.83Å; V363-M367 VanDerWaalsContact O-CG 3.27Å; V363-M367 WeakPolarHBondContact O-CG 3.37Å; V363-M367 PolarHBondContact O-N 3.18Å
364A83.5Confident81.2Confident0 Ų051.4 Ų51.40%024%0.242CC..Hα-helixtrans-60.4-38.7177.200000112.3A332 L335 L336 I339 Q360 R361 F362 M367 L368A332-A364 WeakPolarHBondContact CB-O 3.49Å; L335-A364 HydrophobicContact CB-CB 4.24Å; L335-A364 HydrophobicContact CD2-CB 3.7Å; L335-A364 HydrophobicContact CG-CB 3.84Å; L336-A364 HydrophobicContact CD2-CB 3.8Å; L336-A364 HydrophobicContact CG-CB 3.82Å; I339-A364 HydrophobicContact CD1-CB 4.24Å; Q360-A364 VanDerWaalsContact O-CB 3.31Å; Q360-A364 WeakPolarHBondContact O-CB 3.41Å; Q360-A364 PolarHBondContact O-N 3.3Å; R361-A364 PolarHBondContact O-N 3.24Å; F362-A364 PolarHBondContact O-N 3.47Å; A364-M367 PolarHBondContact O-N 2.9Å; A364-L368 WeakPolarHBondContact O-CB 3.23Å; A364-L368 PolarHBondContact O-N 3.37Å
365N85.9Confident80Confident67 Ų6753.4 Ų53.436%0.35825%0.25SS..Hα-helixtrans-66.6-39.7174.2-79.4-33.8000112.6R361 F362 V363 M367 L368 Q369R361-N365 WeakPolarHBondContact O-CB 3.45Å; R361-N365 PolarHBondContact O-N 2.93Å; R361-N365 PolarHBondContact O-ND2 3.4Å; F362-N365 PolarHBondContact O-N 3.11Å; V363-N365 VanDerWaalsContact C-N 3.31Å; V363-N365 PolarHBondContact O-N 3.32Å; N365-M367 VanDerWaalsContact C-N 3.35Å; N365-L368 PolarHBondContact O-N 3.2Å; N365-Q369 WeakPolarHBondContact O-CG 3.37Å; N365-Q369 PolarHBondContact O-N 3.34Å
366L80.6Confident78.4Confident4 Ų452.8 Ų52.82%0.02125%0.251CS..Hα-helixtrans-63.4-40.9171.9-69.9-169.3000111.9I202 W205 L210 M219 F362 V363 L368 Q369 K370I202-L366 HydrophobicContact CD1-CD2 3.8Å; W205-L366 HydrophobicContact CB-CB 4.07Å; W205-L366 HydrophobicContact CB-CD1 4.05Å; L210-L366 HydrophobicContact CB-CD1 4.46Å; L210-L366 HydrophobicContact CD1-CD1 4.26Å; L210-L366 HydrophobicContact CD1-CD2 4.11Å; M219-L366 HydrophobicContact CE-CD2 4.3Å; F362-L366 HydrophobicContact CD1-CD1 4.17Å; F362-L366 HydrophobicContact CD1-CG 4.27Å; F362-L366 HydrophobicContact CE1-CD1 3.38Å; F362-L366 HydrophobicContact CE1-CD2 4.31Å; F362-L366 HydrophobicContact CE1-CG 3.71Å; F362-L366 HydrophobicContact CZ-CD1 3.93Å; F362-L366 HydrophobicContact CZ-CD2 4.08Å; F362-L366 HydrophobicContact CZ-CG 3.99Å; F362-L366 PolarHBondContact O-N 3.45Å; V363-L366 PolarHBondContact O-N 2.85Å; V363-L366 VanDerWaalsContact O-N 3.15Å; L366-L368 VanDerWaalsContact C-N 3.33Å; L366-L368 PolarHBondContact O-N 3.28Å; L366-Q369 PolarHBondContact O-N 2.92Å; L366-K370 PolarHBondContact O-N 2.95Å
367M81.1Confident76.5Confident0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-63.5-39174.4-65.9172.878.500111.4W205 P310 M314 F331 A332 L335 V363 A364 N365 K370 E371W205-M367 HydrophobicContact CD2-CG 3.96Å; W205-M367 HydrophobicContact CD2-SD 4.4Å; W205-M367 HydrophobicContact CE3-CG 4.31Å; W205-M367 HydrophobicContact CE3-SD 4.23Å; W205-M367 HydrophobicContact CG-CG 4.19Å; W205-M367 HydrophobicContact CH2-CE 4.31Å; W205-M367 HydrophobicContact CH2-SD 4.41Å; W205-M367 HydrophobicContact CZ2-CE 4.2Å; W205-M367 HydrophobicContact CZ3-SD 4.23Å; P310-M367 HydrophobicContact CB-CE 3.83Å; P310-M367 HydrophobicContact CB-SD 4.04Å; M314-M367 HydrophobicContact CE-CE 3.36Å; M314-M367 HydrophobicContact CG-CE 4.26Å; M314-M367 HydrophobicContact SD-CE 3.73Å; F331-M367 HydrophobicContact CD1-CE 3.54Å; F331-M367 HydrophobicContact CE1-CE 3.66Å; F331-M367 HydrophobicContact CE1-SD 4.47Å; A332-M367 HydrophobicContact CB-CB 3.92Å; L335-M367 HydrophobicContact CD2-SD 4.45Å; V363-M367 HydrophobicContact CG1-CG 4.33Å; V363-M367 HydrophobicContact CG1-SD 3.83Å; V363-M367 VanDerWaalsContact O-CG 3.27Å; V363-M367 WeakPolarHBondContact O-CG 3.37Å; V363-M367 PolarHBondContact O-N 3.18Å; A364-M367 PolarHBondContact O-N 2.9Å; N365-M367 VanDerWaalsContact C-N 3.35Å; M367-K370 WeakPolarHBondContact O-CB 3.47Å; M367-K370 PolarHBondContact O-N 2.96Å; M367-E371 WeakPolarHBondContact O-CG 3.36Å; M367-E371 PolarHBondContact O-N 2.98Å
368L83.9Confident74.1Confident20 Ų2061.3 Ų61.311%0.10529%0.289CS..Hα-helixtrans-65.7-42175.3-173.859.5000111.3S330 A332 K333 L336 A364 N365 L366 E371 R372S330-L368 WeakPolarHBondContact OG-CD1 3.43Å; A332-L368 VanDerWaalsContact CB-CA 3.45Å; A332-L368 HydrophobicContact CB-CB 3.6Å; A332-L368 HydrophobicContact CB-CD1 4.12Å; A332-L368 HydrophobicContact CB-CG 4.44Å; A332-L368 VanDerWaalsContact CB-N 3.26Å; K333-L368 HydrophobicContact CG-CD1 4.03Å; L336-L368 HydrophobicContact CD1-CD2 3.98Å; A364-L368 WeakPolarHBondContact O-CB 3.23Å; A364-L368 PolarHBondContact O-N 3.37Å; N365-L368 PolarHBondContact O-N 3.2Å; L366-L368 VanDerWaalsContact C-N 3.33Å; L366-L368 PolarHBondContact O-N 3.28Å; L368-E371 PolarHBondContact O-N 3.46Å; L368-R372 VanDerWaalsContact O-CG 3.31Å; L368-R372 WeakPolarHBondContact O-CG 3.45Å; L368-R372 PolarHBondContact O-N 2.98Å
369Q79.5Confident71.7Confident44 Ų4463 Ų6321%0.20629%0.291CS..Hα-helixtrans-60.5-46.4173-74.1-177.62.800110.7N365 L366 E371 R372 L373N365-Q369 WeakPolarHBondContact O-CG 3.37Å; N365-Q369 PolarHBondContact O-N 3.34Å; L366-Q369 PolarHBondContact O-N 2.92Å; Q369-E371 PolarHBondContact O-N 2.88Å; Q369-R372 PolarHBondContact O-N 2.86Å; Q369-L373 HydrophobicContact CB-CD1 4.5Å; Q369-L373 VanDerWaalsContact O-CB 3.32Å; Q369-L373 WeakPolarHBondContact O-CB 3.26Å; Q369-L373 WeakPolarHBondContact O-CD1 3.47Å; Q369-L373 WeakPolarHBondContact O-CG 3.44Å; Q369-L373 PolarHBondContact O-N 3.26Å
370K78.4Confident69.6Low47 Ų4764.3 Ų64.320%0.20430%0.297CS..Hα-helixtrans-55.7-49.9174.2-176.9-178.6174.8-178.60111.7I202 L366 M367 R372 L373 D374I202-K370 HydrophobicContact CG2-CB 4.29Å; L366-K370 PolarHBondContact O-N 2.95Å; M367-K370 WeakPolarHBondContact O-CB 3.47Å; M367-K370 PolarHBondContact O-N 2.96Å; K370-R372 VanDerWaalsContact C-N 3.35Å; K370-R372 PolarHBondContact O-N 3.44Å; K370-L373 PolarHBondContact O-N 3.42Å; K370-L373 VanDerWaalsContact O-N 3.12Å; K370-D374 WeakPolarHBondContact CE-OD2 3.24Å; K370-D374 WeakPolarHBondContact CG-OD2 3.2Å; K370-D374 WeakPolarHBondContact O-CB 3.12Å; K370-D374 VanDerWaalsContact O-CG 3.3Å; K370-D374 PolarHBondContact O-N 2.87Å
371E79.7Confident67.4Low37 Ų3768.7 Ų68.717%0.17332%0.318CS..Hα-helixtrans-58.4-42.8178.3-73.8177.3-177.400112.2S330 F331 A332 M367 L368 Q369 L373 Y375S330-E371 WeakPolarHBondContact CA-OE2 3.39Å; S330-E371 WeakPolarHBondContact CB-OE2 3.36Å; S330-E371 PolarHBondContact OG-OE2 3.02Å; F331-E371 PolarHBondContact N-OE1 3.27Å; A332-E371 PolarHBondContact N-OE1 2.79Å; M367-E371 WeakPolarHBondContact O-CG 3.36Å; M367-E371 PolarHBondContact O-N 2.98Å; L368-E371 PolarHBondContact O-N 3.46Å; Q369-E371 PolarHBondContact O-N 2.88Å; E371-L373 VanDerWaalsContact C-N 3.33Å; E371-L373 PolarHBondContact O-N 3.21Å; E371-Y375 WeakPolarHBondContact O-CB 3.44Å; E371-Y375 WeakPolarHBondContact O-CD2 3.47Å; E371-Y375 PolarHBondContact O-N 2.97Å
372R76.9Confident65.1Low114 Ų11467.7 Ų67.743%0.4332%0.322SS..Hα-helixtrans-65.3-33.6175.1-68.5178-169.4-162.93.3113.6E230 L368 Q369 K370E230-R372 WeakPolarHBondContact OE1-CD 3.31Å; E230-R372 IonicContact OE1-CZ 2.66Å; E230-R372 IonicContact OE1-NE 3.64Å; E230-R372 IonicContact OE1-NH1 2.73Å; E230-R372 PolarHBondContact OE1-NH1 3.45Å; E230-R372 IonicContact OE2-NH1 2.75Å; E230-R372 PolarHBondContact OE2-NH1 2.93Å; L368-R372 VanDerWaalsContact O-CG 3.31Å; L368-R372 WeakPolarHBondContact O-CG 3.45Å; L368-R372 PolarHBondContact O-N 2.98Å; Q369-R372 PolarHBondContact O-N 2.86Å; K370-R372 VanDerWaalsContact C-N 3.35Å; K370-R372 PolarHBondContact O-N 3.44Å
373L71Confident62.7Low15 Ų1573 Ų738%0.07935%0.347CS..Hα-helixtrans-78.5-35.9-178.5-72.4166.1000111.6R198 W229 Q369 K370 E371R198-L373 HydrophobicContact CG-CD1 4.09Å; R198-L373 PolarHBondContact NH1-O 3.39Å; R198-L373 PolarHBondContact NH2-O 3.15Å; W229-L373 HydrophobicContact CE3-CD2 4.14Å; W229-L373 HydrophobicContact CH2-CD2 3.59Å; W229-L373 HydrophobicContact CZ3-CD2 3.38Å; Q369-L373 HydrophobicContact CB-CD1 4.5Å; Q369-L373 VanDerWaalsContact O-CB 3.32Å; Q369-L373 WeakPolarHBondContact O-CB 3.26Å; Q369-L373 WeakPolarHBondContact O-CD1 3.47Å; Q369-L373 WeakPolarHBondContact O-CG 3.44Å; Q369-L373 PolarHBondContact O-N 3.26Å; K370-L373 PolarHBondContact O-N 3.42Å; K370-L373 VanDerWaalsContact O-N 3.12Å; E371-L373 VanDerWaalsContact C-N 3.33Å; E371-L373 PolarHBondContact O-N 3.21Å
374D71.5Confident60.5Low62 Ų6280.5 Ų80.533%0.33238%0.382SS..Hα-helixtrans-80-29.6178.6-67.2-9.5000112.1R198 H203 K370R198-D374 IonicContact CZ-OD1 3.38Å; R198-D374 IonicContact NE-OD1 3.85Å; R198-D374 IonicContact NH2-OD1 3.93Å; R198-D374 PolarHBondContact NH2-OD1 3.45Å; H203-D374 IonicContact CE1-OD1 3.23Å; H203-D374 IonicContact NE2-OD1 3.36Å; K370-D374 WeakPolarHBondContact CE-OD2 3.24Å; K370-D374 WeakPolarHBondContact CG-OD2 3.2Å; K370-D374 WeakPolarHBondContact O-CB 3.12Å; K370-D374 VanDerWaalsContact O-CG 3.3Å; K370-D374 PolarHBondContact O-N 2.87Å
375Y62.2Low58.4Low150 Ų15084.3 Ų84.359%0.58841%0.408SS*.SBendtrans-121.287.7177.3-60-76.2000111.6E371E371-Y375 WeakPolarHBondContact O-CB 3.44Å; E371-Y375 WeakPolarHBondContact O-CD2 3.47Å; E371-Y375 PolarHBondContact O-N 2.97Å
376P49.5Very low55.9Low67 Ų6783.8 Ų83.844%0.43541%0.413SS..  trans-57133.7165.722.2-30.2000109.4P234 Y378P234-P376 HydrophobicContact CB-CB 3.85Å; P376-Y378 PolarHBondContact O-N 2.98Å
377P43.3Very low53.7Low76 Ų7689 Ų8949%0.49445%0.446SS..  trans-65.2106.5-178.925.7-33.1000109.4P234 N379P234-P377 HydrophobicContact CG-CG 4.26Å; P377-N379 PolarHBondContact O-N 2.87Å
378Y34.4Very low51.5Low204 Ų20492.5 Ų92.580%0.848%0.475SS*.  trans-75.464.9179.4-157.5-83.3000110.4P376 K380P376-Y378 PolarHBondContact O-N 2.98Å; Y378-K380 HydrophobicContact CD1-CG 4.27Å; Y378-K380 HydrophobicContact CE1-CG 3.91Å; Y378-K380 PolarHBondContact O-N 2.87Å
379N34.7Very low49Very low88 Ų8896.3 Ų96.347%0.47150%0.503SS..  trans-89.296.2179.5-165.7-1.1000110.3P377 Q381 S382P377-N379 PolarHBondContact O-N 2.87Å; N379-Q381 PolarHBondContact O-N 3.02Å; N379-Q381 PolarHBondContact OD1-N 2.59Å; N379-S382 PolarHBondContact O-N 3.31Å; N379-S382 VanDerWaalsContact O-N 3.16Å; N379-S382 PolarHBondContact O-OG 3.02Å
380K35.7Very low46.7Very low165 Ų165101.5 Ų101.572%0.71753%0.531SS*.G310 helixtrans-55.5-19.7177-81.4-167.4171.1-168.40113.8Y378Y378-K380 HydrophobicContact CD1-CG 4.27Å; Y378-K380 HydrophobicContact CE1-CG 3.91Å; Y378-K380 PolarHBondContact O-N 2.87Å
381Q35.6Very low44.4Very low147 Ų147107.2 Ų107.269%0.68756%0.561SS**G310 helixtrans-74.3-23.2179.4-72.2176.7-4600114.2N379 Q383 Q384N379-Q381 PolarHBondContact O-N 3.02Å; N379-Q381 PolarHBondContact OD1-N 2.59Å; Q381-Q383 VanDerWaalsContact C-N 3.25Å; Q381-Q383 PolarHBondContact O-N 3.49Å; Q381-Q384 PolarHBondContact O-N 2.85Å
382S35.7Very low42.1Very low56 Ų56114.6 Ų114.639%0.39259%0.592SS.*G310 helixtrans-73.6-12.9-174.964.80000114.6N379 Q384 S385 A386N379-S382 PolarHBondContact O-N 3.31Å; N379-S382 VanDerWaalsContact O-N 3.16Å; N379-S382 PolarHBondContact O-OG 3.02Å; S382-Q384 PolarHBondContact O-N 3.04Å; S382-S385 PolarHBondContact O-N 3.49Å; S382-A386 PolarHBondContact O-N 3.39Å
383Q32.9Very low39.8Very low157 Ų157117.3 Ų117.373%0.73461%0.61SS**G310 helixtrans-69.4-15.7174.1-79.3-170.5-29.800113.7Q381Q381-Q383 VanDerWaalsContact C-N 3.25Å; Q381-Q383 PolarHBondContact O-N 3.49Å
384Q34.4Very low37.8Very low171 Ų171123 Ų12380%0.79965%0.645SS**G310 helixtrans-89-14175.2-72.9-177.2-27.500113.9Q381 S382Q381-Q384 PolarHBondContact O-N 2.85Å; S382-Q384 PolarHBondContact O-N 3.04Å
385S39.5Very low35.6Very low79 Ų79128 Ų12855%0.55267%0.666SS**THydrogen-bonded Turntrans-111.8-23-175.3-51.20000114.4S382 T387 A388 S389S382-S385 PolarHBondContact O-N 3.49Å; S385-T387 PolarHBondContact O-N 3.32Å; S385-A388 PolarHBondContact O-N 2.88Å; S385-S389 PolarHBondContact O-N 2.92Å
386A34.3Very low34.1Very low56 Ų56126.3 Ų126.346%0.46367%0.674SS.*Hα-helixtrans-66.6-33.4-177.100000113.6S382S382-A386 PolarHBondContact O-N 3.39Å
387T34.5Very low33.1Very low115 Ų115132.1 Ų132.171%0.70670%0.695SS**Hα-helixtrans-70.9-27.6175.225.70000113.3S385S385-T387 PolarHBondContact O-N 3.32Å
388A33Very low32.5Very low73 Ų73135.2 Ų135.260%0.60371%0.712SS**Hα-helixtrans-80.7-29.7-178.400000113.6S385S385-A388 PolarHBondContact O-N 2.88Å
389S32.5Very low32.2Very low99 Ų99130.4 Ų130.469%0.69271%0.708SS**Hα-helixtrans-84.3-15.7-172.4-165.40000114.9S385S385-S389 PolarHBondContact O-N 2.92Å
390L31.4Very low32Very low153 Ų153135.4 Ų135.480%0.80173%0.729SS**THydrogen-bonded Turntrans-95.4-1.7-175.4-118.2142.5000113.8
391M30Very low31.8Very low168 Ų168133.1 Ų133.183%0.82873%0.731SS**  trans-117.333.8176.5-73.1-165.1147.400113.3E393M391-E393 PolarHBondContact O-N 3.42Å
392K31.1Very low31.6Very low192 Ų192131.3 Ų131.384%0.83573%0.734SS**  trans-75.971.7158.7-90.4-167171-173.10110.1V394K392-V394 PolarHBondContact O-N 3Å
393E29.1Very low31.2Very low170 Ų170134.3 Ų134.379%0.79475%0.751SS**  trans-61127.7161.7-171.1169.4-157.300108.5M391 Q395M391-E393 PolarHBondContact O-N 3.42Å; E393-Q395 PolarHBondContact O-N 3.41Å
394V28.9Very low31Very low136 Ų136134.7 Ų134.782%0.82475%0.75SS**  trans-78.291.3-177.3178.90000108.3K392K392-V394 PolarHBondContact O-N 3Å
395Q25.9Very low30.7Very low167 Ų167131.5 Ų131.578%0.7874%0.738SS**  trans-72.1137.5165.1-74.8-152.8-11.400110.2E393E393-Q395 PolarHBondContact O-N 3.41Å
396P29.9Very low30.3Very low114 Ų114134.1 Ų134.174%0.7475%0.746SS**  trans-73.2141.7-176.8-12.528.1000112.1V398P396-V398 PolarHBondContact O-N 2.91Å; P396-V398 VanDerWaalsContact O-N 3.15Å
397E27.6Very low30Very low188 Ų188137.3 Ų137.388%0.87976%0.755SS**  trans-62.4111.4168.6-65.2174.8133.200110.4
398V30.6Very low29.8Very low142 Ų142139.4 Ų139.486%0.86176%0.757SS**  trans-107.699156.3179.20000107.5P396P396-V398 PolarHBondContact O-N 2.91Å; P396-V398 VanDerWaalsContact O-N 3.15Å
399S28.6Very low29.6Very low102 Ų102141.8 Ų141.871%0.71376%0.76SS**  trans-73.7125.3173.8-50.50000110.5
400E30.3Very low29.4Very low193 Ų193141.6 Ų141.690%0.90276%0.757SS**  trans-158.7151.2136.1-113.1177.8-160.300111
401P32.8Very low29.3Very low117 Ų117141.8 Ų141.876%0.7675%0.754SS**  trans-114.7149.8-158.939.5-30.5000115.3
402S31.2Very low29.4Very low109 Ų109140.9 Ų140.976%0.76275%0.752SS**  trans-158.2116.2148.655.90000114.5
403T27.4Very low29.4Very low120 Ų120134.9 Ų134.974%0.73674%0.739SS**  trans27.7123.2142.140.50000123
404K27.8Very low29.4Very low164 Ų164132.7 Ų132.771%0.71374%0.737SS**  93118.5119.3-79.6-177.6152.9-99.50121.7
405D28.3Very low29.4Very low105 Ų105135.5 Ų135.556%0.56174%0.738SS**  78.2119.2122.4-59.1-3000120.5
406N30.7Very low30.1Very low134 Ų134133.7 Ų133.772%0.71774%0.741SS**  trans73.7150.5139.3-59.920.6000117.9
407D28.9Very low29.9Very low123 Ų123133.3 Ų133.366%0.65874%0.741SS**  cis-161.9167.1-20.6-110.7-37.1000108.7
408E30.4Very low29.8Very low158 Ų158129.7 Ų129.774%0.73874%0.735SS**  trans56.3118.4144.7-75.4-170.5172.700123
409N28.8Very low29.7Very low124 Ų124127.3 Ų127.366%0.66373%0.73SS**  111.2139111.6-88.3-26000121.9
410C28.3Very low30Very low94 Ų94127.9 Ų127.964%0.63573%0.732SS**  trans64.7145.6146-70.40000119.7
411E28.3Very low29.9Very low157 Ų157123.3 Ų123.373%0.73472%0.721SS**  cis-170.3168.8-20.3-125.1167.6167.400107.6
412D32Very low29.5Very low149 Ų149126.5 Ų126.580%0.79773%0.726SS**  trans61.3156.6151.3-79.7-4.5000121.6
413A31Very low29.2Very low66 Ų66128.4 Ų128.455%0.54573%0.733SS.*  cis-167.2168.3-22.200000111.9
414T29.3Very low29Very low124 Ų124129.2 Ų129.276%0.76174%0.738SS**  trans70.2113.814932.60000122.8
415K28.9Very low28.9Very low195 Ų195125.2 Ų125.285%0.84874%0.744SS**  47.9163.7109-76.5-176.8179.3173.50120.8
416P41.6Very low28.8Very low130 Ų130129.5 Ų129.584%0.84476%0.757SS**  cis-122.5-112.612.726.4-1.7000117.4
417S25.8Very low28.5Very low106 Ų106132 Ų13274%0.74177%0.765SS**  trans-168.9172.7-138.9-167.60000117.1
418C25.2Very low28.4Very low111 Ų111129.3 Ų129.375%0.7577%0.766SS**  trans81.5110.3156.7-68.30000121.8
419A27.9Very low28.3Very low92 Ų92130.6 Ų130.676%0.7677%0.772SS**  36.2153.4104.900000120.5
420P35.3Very low28.4Very low114 Ų114130.5 Ų130.574%0.7478%0.776SS**  cis-154.6-172.338.940.5-16.4000120.1
421S28.1Very low28.6Very low98 Ų98131.1 Ų131.169%0.68578%0.777SS**  trans60.3114.6150.848.70000121.1
422Q23.6Very low28.6Very low184 Ų184132.7 Ų132.786%0.8678%0.782SS**  77.6109.674-79.3-169.6-0.700116.7
423T25.3Very low28.8Very low148 Ų148133 Ų13391%0.90878%0.778SS**  -168.6163.4120.58.20000114.4
424T23.1Very low29Very low138 Ų138132.8 Ų132.885%0.84777%0.773SS**  trans-75.7150.7-169.845.60000117.3
425G25.5Very low29.1Very low80 Ų80131.4 Ų131.483%0.82576%0.761SS**  trans-164.2129.2166.200000113.6
426K27.3Very low29.3Very low195 Ų195124.7 Ų124.785%0.84874%0.741SS**  trans-65.6145.1-164.3-72.2177.4170.6-176.60118.3
427E24.4Very low28.9Very low187 Ų187122.9 Ų122.987%0.87472%0.724SS**  trans18.9122.8131.5-62.8165.8160.500119.9
428G26.3Very low29.5Very low66 Ų66123 Ų12368%0.6871%0.711SS**  trans-161.386.5164.900000109.6T430G428-T430 PolarHBondContact O-N 2.93Å
429E28.6Very low30.2Very low185 Ų185126.7 Ų126.786%0.86471%0.71SS**  trans-79.399-170.3-159.5172.9-154.300111.5T431E429-T431 PolarHBondContact O-N 3.32Å
430T30.8Very low30.7Very low122 Ų122127.6 Ų127.675%0.74870%0.698SS**  trans-9774.7-177.739.20000112.7G428 F432G428-T430 PolarHBondContact O-N 2.93Å; T430-F432 PolarHBondContact O-N 3.49Å
431T32.6Very low30.8Very low106 Ų106123.7 Ų123.765%0.6567%0.671SS**THydrogen-bonded Turntrans-75.22.3178.67.50000115.1E429E429-T431 PolarHBondContact O-N 3.32Å
432F28.8Very low31.3Very low191 Ų191120 Ų12084%0.83864%0.644SS**THydrogen-bonded Turntrans-80.6-19.4-172.5-97.6-85.4000116.2T430T430-F432 PolarHBondContact O-N 3.49Å
433E35Very low32.2Very low154 Ų154115.6 Ų115.672%0.7263%0.626SS**Hα-helixtrans-75.4-28179.9-69.3-172.314800113.1D435 L437E433-D435 PolarHBondContact O-N 2.9Å; E433-L437 VanDerWaalsContact O-CB 3.26Å; E433-L437 WeakPolarHBondContact O-CB 3.42Å; E433-L437 PolarHBondContact O-N 2.8Å; E433-L437 VanDerWaalsContact O-N 3.14Å
434S36.5Very low32.9Very low63 Ų63109.8 Ų109.844%0.44159%0.59SS.*Hα-helixtrans-63.2-43.4-172-169.10000113.6K438S434-K438 VanDerWaalsContact O-CG 3.24Å; S434-K438 WeakPolarHBondContact O-CG 3.22Å; S434-K438 PolarHBondContact O-N 2.89Å; S434-K438 VanDerWaalsContact O-N 3.07Å; S434-K438 VanDerWaalsContact OG-CE 3.23Å; S434-K438 WeakPolarHBondContact OG-CE 3.29Å; S434-K438 PolarHBondContact OG-NZ 3.45Å; S434-K438 VanDerWaalsContact OG-NZ 3.16Å
435D30.4Very low34Very low95 Ų95104.9 Ų104.951%0.50856%0.557SS.*Hα-helixtrans-85.9-28.1-173.6-76.1-9.6000113.3E433 K438 R439E433-D435 PolarHBondContact O-N 2.9Å; D435-K438 WeakPolarHBondContact OD1-CD 3.17Å; D435-K438 WeakPolarHBondContact OD1-CE 3.23Å; D435-K438 IonicContact OD1-NZ 3.9Å; D435-K438 PolarHBondContact OD1-NZ 3.44Å; D435-R439 PolarHBondContact O-N 3.33Å; D435-R439 VanDerWaalsContact O-N 3.15Å
436A33.6Very low34.9Very low53 Ų53103 Ų10344%0.43853%0.527SS..Hα-helixtrans-63.4-4716900000110.5K438 R439 Q440A436-K438 PolarHBondContact O-N 2.83Å; A436-R439 PolarHBondContact O-N 2.69Å; A436-Q440 WeakPolarHBondContact O-CG 3.36Å; A436-Q440 PolarHBondContact O-N 2.78Å
437L33.6Very low35.6Very low93 Ų9398.7 Ų98.749%0.48751%0.507SS..Hα-helixtrans-68.3-33.4-179.9-156.5151000111.8E433 L441E433-L437 VanDerWaalsContact O-CB 3.26Å; E433-L437 WeakPolarHBondContact O-CB 3.42Å; E433-L437 PolarHBondContact O-N 2.8Å; E433-L437 VanDerWaalsContact O-N 3.14Å; L437-L441 HydrophobicContact CD2-CD1 3.7Å; L437-L441 HydrophobicContact CD2-CG 4.13Å; L437-L441 WeakPolarHBondContact O-CB 3.14Å; L437-L441 VanDerWaalsContact O-CG 3.27Å; L437-L441 WeakPolarHBondContact O-CG 3.3Å; L437-L441 PolarHBondContact O-N 3.3Å
438K38.1Very low36.4Very low108 Ų10891.3 Ų91.347%0.4747%0.473SS..Hα-helixtrans-62.3-43.7169.8-76.9168.3-152.2157.10113.2S434 D435 A436 T442S434-K438 VanDerWaalsContact O-CG 3.24Å; S434-K438 WeakPolarHBondContact O-CG 3.22Å; S434-K438 PolarHBondContact O-N 2.89Å; S434-K438 VanDerWaalsContact O-N 3.07Å; S434-K438 VanDerWaalsContact OG-CE 3.23Å; S434-K438 WeakPolarHBondContact OG-CE 3.29Å; S434-K438 PolarHBondContact OG-NZ 3.45Å; S434-K438 VanDerWaalsContact OG-NZ 3.16Å; D435-K438 WeakPolarHBondContact OD1-CD 3.17Å; D435-K438 WeakPolarHBondContact OD1-CE 3.23Å; D435-K438 IonicContact OD1-NZ 3.9Å; D435-K438 PolarHBondContact OD1-NZ 3.44Å; A436-K438 PolarHBondContact O-N 2.83Å; K438-T442 PolarHBondContact O-N 3.25Å; K438-T442 VanDerWaalsContact O-N 3.12Å; K438-T442 PolarHBondContact O-OG1 3.43Å
439R39.5Very low37.2Very low189 Ų18991 Ų9171%0.71346%0.456SS*.Hα-helixtrans-68.1-45.7178.4-72-177-172.2168.35.1111.2D435 A436 L441 T442 D443D435-R439 PolarHBondContact O-N 3.33Å; D435-R439 VanDerWaalsContact O-N 3.15Å; A436-R439 PolarHBondContact O-N 2.69Å; R439-L441 PolarHBondContact O-N 3.34Å; R439-T442 PolarHBondContact O-N 3.01Å; R439-D443 PolarHBondContact O-N 3.25Å
440Q39Very low37.8Very low111 Ų11183.7 Ų83.752%0.51943%0.425SS..Hα-helixtrans-56.1-47.7175.1-75.8177.5-23.300111.9A436 T442 D443 L444A436-Q440 WeakPolarHBondContact O-CG 3.36Å; A436-Q440 PolarHBondContact O-N 2.78Å; Q440-T442 PolarHBondContact O-N 3.2Å; Q440-D443 PolarHBondContact O-N 3.41Å; Q440-L444 WeakPolarHBondContact O-CB 3.39Å; Q440-L444 PolarHBondContact O-N 3.04Å
441L35.7Very low37.9Very low31 Ų3185.5 Ų85.516%0.16242%0.418CS..Hα-helixtrans-54.8-51.5174.1-81.1170000111.9E184 L437 R439 D443 L444 F445E184-L441 HydrophobicContact CG-CD2 3.69Å; E184-L441 WeakPolarHBondContact OE1-CA 3.47Å; E184-L441 PolarHBondContact OE1-N 2.89Å; L437-L441 HydrophobicContact CD2-CD1 3.7Å; L437-L441 HydrophobicContact CD2-CG 4.13Å; L437-L441 WeakPolarHBondContact O-CB 3.14Å; L437-L441 VanDerWaalsContact O-CG 3.27Å; L437-L441 WeakPolarHBondContact O-CG 3.3Å; L437-L441 PolarHBondContact O-N 3.3Å; R439-L441 PolarHBondContact O-N 3.34Å; L441-D443 PolarHBondContact O-N 2.9Å; L441-L444 PolarHBondContact O-N 2.99Å; L441-F445 HydrophobicContact CB-CD2 4.3Å; L441-F445 HydrophobicContact CB-CE2 3.91Å; L441-F445 HydrophobicContact CD2-CE2 3.94Å; L441-F445 HydrophobicContact CD2-CZ 3.92Å; L441-F445 HydrophobicContact CG-CE2 4.47Å; L441-F445 WeakPolarHBondContact O-CB 3.49Å; L441-F445 WeakPolarHBondContact O-CD2 3.44Å; L441-F445 WeakPolarHBondContact O-CG 3.29Å; L441-F445 PolarHBondContact O-N 3.36Å
442T40.5Very low37.8Very low22 Ų2283.6 Ų83.614%0.13541%0.409CS..Hα-helixtrans-59.8-45.5179.3-75.10000111.9D272 S274 K438 R439 Q440 F445 L446D272-T442 PolarHBondContact OD2-OG1 3.03Å; S274-T442 WeakPolarHBondContact OG-CG2 3.47Å; K438-T442 PolarHBondContact O-N 3.25Å; K438-T442 VanDerWaalsContact O-N 3.12Å; K438-T442 PolarHBondContact O-OG1 3.43Å; R439-T442 PolarHBondContact O-N 3.01Å; Q440-T442 PolarHBondContact O-N 3.2Å; T442-F445 PolarHBondContact O-N 2.83Å; T442-L446 PolarHBondContact O-N 3.4Å; T442-L446 VanDerWaalsContact O-N 3.17Å
443D41Very low37.8Very low90 Ų9081.3 Ų81.348%0.48141%0.405SS..Hα-helixtrans-65.2-42.1178.2-67.6-28.5000111.5R439 Q440 L441 F445 L446 Y447R439-D443 PolarHBondContact O-N 3.25Å; Q440-D443 PolarHBondContact O-N 3.41Å; L441-D443 PolarHBondContact O-N 2.9Å; D443-F445 VanDerWaalsContact C-N 3.33Å; D443-F445 PolarHBondContact O-N 2.86Å; D443-L446 PolarHBondContact O-N 3.31Å; D443-Y447 WeakPolarHBondContact O-CB 3.47Å; D443-Y447 WeakPolarHBondContact O-CD2 3.46Å; D443-Y447 PolarHBondContact O-N 3.44Å
444L41.4Very low37.7Very low27 Ų2784 Ų8414%0.14142%0.424CS..Hα-helixtrans-64-36.6175-126.884.1000112.6Y181 E184 F185 Q440 L441 L446 N448Y181-L444 HydrophobicContact CD2-CD1 4.36Å; Y181-L444 HydrophobicContact CD2-CD2 4.43Å; Y181-L444 HydrophobicContact CE2-CD1 4.05Å; Y181-L444 HydrophobicContact CE2-CD2 4.42Å; E184-L444 HydrophobicContact CB-CD2 4.39Å; E184-L444 HydrophobicContact CG-CD2 4.07Å; F185-L444 HydrophobicContact CB-CD2 4.11Å; F185-L444 HydrophobicContact CD2-CD2 4.24Å; Q440-L444 WeakPolarHBondContact O-CB 3.39Å; Q440-L444 PolarHBondContact O-N 3.04Å; L441-L444 PolarHBondContact O-N 2.99Å; L444-L446 VanDerWaalsContact C-N 3.34Å; L444-N448 PolarHBondContact O-ND2 3.15Å; L444-N448 VanDerWaalsContact O-ND2 3.11Å
445F46Very low37.7Very low34 Ų3485.1 Ų85.115%0.14942%0.423CS..Hα-helixtrans-67.4-35.2178.8-73.6-45000112.1Y195 L441 T442 D443Y195-F445 HydrophobicContact CE1-CD2 4.32Å; Y195-F445 AromaticContact CE1-CE2 3.74Å; Y195-F445 HydrophobicContact CE1-CE2 3.74Å; Y195-F445 HydrophobicContact CE1-CZ 4.14Å; Y195-F445 HydrophobicContact CE2-CE2 4.49Å; Y195-F445 AromaticContact CZ-CE2 3.71Å; L441-F445 HydrophobicContact CB-CD2 4.3Å; L441-F445 HydrophobicContact CB-CE2 3.91Å; L441-F445 HydrophobicContact CD2-CE2 3.94Å; L441-F445 HydrophobicContact CD2-CZ 3.92Å; L441-F445 HydrophobicContact CG-CE2 4.47Å; L441-F445 WeakPolarHBondContact O-CB 3.49Å; L441-F445 WeakPolarHBondContact O-CD2 3.44Å; L441-F445 WeakPolarHBondContact O-CG 3.29Å; L441-F445 PolarHBondContact O-N 3.36Å; T442-F445 PolarHBondContact O-N 2.83Å; D443-F445 VanDerWaalsContact C-N 3.33Å; D443-F445 PolarHBondContact O-N 2.86Å
446L42.9Very low38.1Very low40 Ų4084.6 Ų84.621%0.20942%0.418CS..Hα-helixtrans-77.7-41.5176.4-68.6-169.5000113.8S274 N277 T442 D443 L444 N448S274-L446 WeakPolarHBondContact O-CD1 3.32Å; S274-L446 WeakPolarHBondContact O-CD2 3.49Å; N277-L446 HydrophobicContact CB-CD1 4.29Å; N277-L446 HydrophobicContact CB-CD2 4.07Å; T442-L446 PolarHBondContact O-N 3.4Å; T442-L446 VanDerWaalsContact O-N 3.17Å; D443-L446 PolarHBondContact O-N 3.31Å; L444-L446 VanDerWaalsContact C-N 3.34Å; L446-N448 PolarHBondContact O-N 3.04Å
447Y41.9Very low38.4Very low106 Ų10686.3 Ų86.342%0.41642%0.417SS..THydrogen-bonded Turntrans-69.716.4-178.2-93.6-80000115.4D443D443-Y447 WeakPolarHBondContact O-CB 3.47Å; D443-Y447 WeakPolarHBondContact O-CD2 3.46Å; D443-Y447 PolarHBondContact O-N 3.44Å
448N41.5Very low38.6Very low31 Ų3185.9 Ų85.917%0.16641%0.413CS..THydrogen-bonded Turntrans-85.6-4.2175.9-101.6-69000114.3F185 K192 L444 L446F185-N448 WeakPolarHBondContact CE2-OD1 3.49Å; F185-N448 WeakPolarHBondContact CZ-OD1 3.45Å; K192-N448 PolarHBondContact NZ-ND2 3.15Å; L444-N448 PolarHBondContact O-ND2 3.15Å; L444-N448 VanDerWaalsContact O-ND2 3.11Å; L446-N448 PolarHBondContact O-N 3.04Å
449D44.4Very low38.7Very low61 Ų6184.6 Ų84.633%0.32641%0.41SS..SBendtrans-127.8120.6176.8-164.9-56.2000111.1K279 R451K279-D449 VanDerWaalsContact CD-OD2 3.31Å; K279-D449 WeakPolarHBondContact CD-OD2 3.28Å; K279-D449 VanDerWaalsContact CE-OD2 3.26Å; K279-D449 WeakPolarHBondContact CE-OD2 3.37Å; K279-D449 IonicContact NZ-OD1 2.68Å; K279-D449 PolarHBondContact NZ-OD1 3.44Å; K279-D449 IonicContact NZ-OD2 2.62Å; K279-D449 PolarHBondContact NZ-OD2 3.12Å; D449-R451 VanDerWaalsContact C-N 3.29Å; D449-R451 PolarHBondContact O-N 3.06Å
450P40.9Very low38.6Very low31 Ų3177.6 Ų77.620%0.20139%0.389CS..SBendtrans-90.951.2-165.337.6-36.9000113.3S110 A113 W114S110-P450 WeakPolarHBondContact O-CG 3.28Å; S110-P450 WeakPolarHBondContact OG-CG 3.24Å; A113-P450 HydrophobicContact CB-CB 3.88Å; W114-P450 HydrophobicContact CB-CB 3.97Å; W114-P450 HydrophobicContact CB-CG 4.03Å
451R32.5Very low38.6Very low159 Ų15975.2 Ų75.260%0.638%0.38SS*.  trans-125.525.2168.1-59.3-167.2-168.7178.92.9112.8D449 D453D449-R451 VanDerWaalsContact C-N 3.29Å; D449-R451 PolarHBondContact O-N 3.06Å; R451-D453 VanDerWaalsContact C-N 3.32Å
452S31Very low38.8Very low66 Ų6678.6 Ų78.646%0.46240%0.397SS..THydrogen-bonded Turntrans-82.5-4.6178.460.30000114.6
453D28.4Very low38.7Very low144 Ų14483.3 Ų83.377%0.7742%0.419SS*.THydrogen-bonded Turntrans-114.927177.4-62.4-29.9000112R451R451-D453 VanDerWaalsContact C-N 3.32Å
454L32.3Very low38.5Very low211 Ų21182.7 Ų82.7100%1.10541%0.413SS*.  trans-133.20170.6-72.9176.9000110

Retrieved 454 of 454 residues in 133 ms (Link to these results)

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