A0A087Y5Z8_POEFO Loading...

VPS50 subunit of EARP/GARPII complex

AlphaFold DB , UniProt , Accession A0A087Y5Z8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 723 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
1M75.9Confident83Confident63 Ų6371.9 Ų71.931%0.3137%0.365SS..  0-56.90-62.6-46.3-76.400112.7Q3 L4 H5 V106 K109 L110M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 3.39Å; M1-L4 VanDerWaalsContact O-CB 3.29Å; M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 3.04Å; M1-H5 PolarHBondContact O-N 3.5Å; M1-V106 HydrophobicContact CE-CG1 4.15Å; M1-V106 HydrophobicContact SD-CG1 4.14Å; M1-K109 HydrophobicContact CB-CB 4.33Å; M1-K109 HydrophobicContact CB-CG 4.48Å; M1-K109 HydrophobicContact CE-CB 3.98Å; M1-K109 HydrophobicContact CG-CB 4.2Å; M1-L110 HydrophobicContact CE-CD1 4.4Å; M1-L110 HydrophobicContact CE-CD2 3.53Å; M1-L110 HydrophobicContact CE-CG 3.5Å
2D74.6Confident83.4Confident96 Ų9666 Ų6651%0.51334%0.335SS..Hα-helixtrans-65.1-33.6-175.9-57.4-32.3000113.6H5 M6 K109D2-H5 PolarHBondContact O-N 3.3Å; D2-M6 PolarHBondContact O-N 3.1Å; D2-K109 IonicContact OD1-NZ 3.73Å; D2-K109 PolarHBondContact OD1-NZ 2.76Å
3Q82.3Confident83.7Confident145 Ų14565.9 Ų65.968%0.67833%0.333SS*.Hα-helixtrans-63.7-37.4170.8-72.5178.2-8.400112.8M1 M6 H7M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 3.39Å; Q3-M6 WeakPolarHBondContact O-CB 3.44Å; Q3-M6 PolarHBondContact O-N 3.09Å; Q3-H7 PolarHBondContact O-CD2 3.47Å; Q3-H7 PolarHBondContact O-N 3.1Å
4L81.3Confident84.1Confident53 Ų5366.9 Ų66.928%0.27734%0.339SS..Hα-helixtrans-62.4-49.8177.5-177.371.2000110.1M1 M6 H7 F8 L110M1-L4 VanDerWaalsContact O-CB 3.29Å; M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 3.04Å; L4-M6 VanDerWaalsContact C-N 3.29Å; L4-M6 PolarHBondContact O-N 2.84Å; L4-H7 PolarHBondContact O-N 2.98Å; L4-H7 VanDerWaalsContact O-N 3.16Å; L4-F8 HydrophobicContact CD1-CD2 4.15Å; L4-F8 HydrophobicContact CD1-CE2 3.75Å; L4-F8 HydrophobicContact CG-CD2 4.04Å; L4-F8 HydrophobicContact CG-CE2 3.98Å; L4-F8 WeakPolarHBondContact O-CD2 3.34Å; L4-F8 PolarHBondContact O-N 3.45Å; L4-L110 HydrophobicContact CD2-CD2 4.29Å
5H82Confident84.4Confident4 Ų465.2 Ų65.22%0.01933%0.334CS..Hα-helixtrans-60.7-38.9176.6-63.4152.4000111.9M1 D2 H7 F8 T9 Y70 K109 G113M1-H5 PolarHBondContact O-N 3.5Å; D2-H5 PolarHBondContact O-N 3.3Å; H5-H7 PolarHBondContact O-N 2.91Å; H5-F8 PolarHBondContact O-N 3.1Å; H5-T9 PolarHBondContact O-N 3.41Å; H5-T9 PolarHBondContact O-OG1 3.41Å; H5-Y70 PolarHBondContact NE2-OH 3.35Å; H5-K109 PolarHBondContact CE1-O 3.15Å; H5-K109 PolarHBondContact NE2-O 3.03Å; H5-G113 VanDerWaalsContact NE2-CA 3.3Å; H5-G113 WeakPolarHBondContact NE2-CA 3.39Å
6M85.3Confident84.7Confident111 Ų11161.1 Ų61.155%0.54731%0.313SS..Hα-helixtrans-61.7-42.1174.5-171.1-176.375.100112.4D2 Q3 L4 T9 Q10D2-M6 PolarHBondContact O-N 3.1Å; Q3-M6 WeakPolarHBondContact O-CB 3.44Å; Q3-M6 PolarHBondContact O-N 3.09Å; L4-M6 VanDerWaalsContact C-N 3.29Å; L4-M6 PolarHBondContact O-N 2.84Å; M6-T9 PolarHBondContact O-N 2.99Å; M6-Q10 WeakPolarHBondContact O-CB 3.42Å; M6-Q10 PolarHBondContact O-N 3.35Å
7H86.1Confident84.9Confident120 Ų12059.6 Ų59.656%0.55630%0.303SS*.Hα-helixtrans-63.9-41.2175.8-73.9-60.4000112.2Q3 L4 H5 Q10 A11Q3-H7 PolarHBondContact O-CD2 3.47Å; Q3-H7 PolarHBondContact O-N 3.1Å; L4-H7 PolarHBondContact O-N 2.98Å; L4-H7 VanDerWaalsContact O-N 3.16Å; H5-H7 PolarHBondContact O-N 2.91Å; H7-Q10 PolarHBondContact O-N 3.43Å; H7-A11 WeakPolarHBondContact O-CB 3.49Å; H7-A11 PolarHBondContact O-N 2.86Å
8F85.3Confident85.1Confident23 Ų2362.9 Ų62.910%0.10132%0.318CS..Hα-helixtrans-65.5-43.8174.5-84.7-78.7000112.2L4 H5 Q10 A11 I12 V66 Y70 I117L4-F8 HydrophobicContact CD1-CD2 4.15Å; L4-F8 HydrophobicContact CD1-CE2 3.75Å; L4-F8 HydrophobicContact CG-CD2 4.04Å; L4-F8 HydrophobicContact CG-CE2 3.98Å; L4-F8 WeakPolarHBondContact O-CD2 3.34Å; L4-F8 PolarHBondContact O-N 3.45Å; H5-F8 PolarHBondContact O-N 3.1Å; F8-Q10 VanDerWaalsContact C-N 3.3Å; F8-Q10 PolarHBondContact O-N 2.97Å; F8-A11 PolarHBondContact O-N 3.28Å; F8-I12 VanDerWaalsContact O-CG1 3.28Å; F8-I12 WeakPolarHBondContact O-CG1 3.33Å; F8-I12 PolarHBondContact O-N 3.46Å; F8-V66 HydrophobicContact CD1-CG1 4.07Å; F8-Y70 HydrophobicContact CD1-CD2 4.21Å; F8-Y70 AromaticContact CD2-CD2 3.79Å; F8-Y70 HydrophobicContact CD2-CD2 3.79Å; F8-Y70 HydrophobicContact CD2-CE2 4.19Å; F8-Y70 HydrophobicContact CE1-CD2 4.04Å; F8-Y70 AromaticContact CE2-CD2 3.61Å; F8-Y70 HydrophobicContact CE2-CD2 3.61Å; F8-Y70 HydrophobicContact CE2-CE2 4.19Å; F8-Y70 HydrophobicContact CG-CD2 4.1Å; F8-Y70 AromaticContact CZ-CD2 3.75Å; F8-Y70 HydrophobicContact CZ-CD2 3.75Å; F8-Y70 HydrophobicContact CZ-CG 4.48Å; F8-I117 HydrophobicContact CB-CD1 4.04Å; F8-I117 HydrophobicContact CB-CG1 4.29Å; F8-I117 HydrophobicContact CD1-CD1 4.44Å; F8-I117 HydrophobicContact CG-CD1 4.13Å
9T86Confident85.2Confident41 Ų4161.2 Ų61.225%0.25231%0.311SS..Hα-helixtrans-58.3-42.4173.9-62.90000111.6H5 M6 H13 D120H5-T9 PolarHBondContact O-N 3.41Å; H5-T9 PolarHBondContact O-OG1 3.41Å; M6-T9 PolarHBondContact O-N 2.99Å; T9-H13 PolarHBondContact O-N 3.34Å; T9-D120 WeakPolarHBondContact CB-OD2 3.5Å; T9-D120 VanDerWaalsContact CG2-OD2 3.23Å; T9-D120 WeakPolarHBondContact CG2-OD2 3.38Å; T9-D120 PolarHBondContact OG1-OD2 2.92Å
10Q87.4Confident85.3Confident97 Ų9758.2 Ų58.245%0.45330%0.295SS..Hα-helixtrans-67.4-39.7176.5-171.764.741.800112.1M6 H7 F8 H13 N14M6-Q10 WeakPolarHBondContact O-CB 3.42Å; M6-Q10 PolarHBondContact O-N 3.35Å; H7-Q10 PolarHBondContact O-N 3.43Å; F8-Q10 VanDerWaalsContact C-N 3.3Å; F8-Q10 PolarHBondContact O-N 2.97Å; Q10-H13 PolarHBondContact O-N 3.47Å; Q10-N14 PolarHBondContact NE2-OD1 3.39Å; Q10-N14 WeakPolarHBondContact O-CB 3.4Å; Q10-N14 VanDerWaalsContact O-CG 3.28Å; Q10-N14 PolarHBondContact O-N 3.03Å
11A86.9Confident85.3Confident38 Ų3855.7 Ų55.731%0.31428%0.283SS..Hα-helixtrans-61.4-47.8176.200000110.9H7 F8 H13 N14 T15H7-A11 WeakPolarHBondContact O-CB 3.49Å; H7-A11 PolarHBondContact O-N 2.86Å; F8-A11 PolarHBondContact O-N 3.28Å; A11-H13 VanDerWaalsContact C-N 3.31Å; A11-H13 PolarHBondContact O-N 3.41Å; A11-N14 PolarHBondContact O-N 3.49Å; A11-T15 VanDerWaalsContact O-CB 3.32Å; A11-T15 WeakPolarHBondContact O-CB 3.38Å; A11-T15 PolarHBondContact O-N 2.91Å; A11-T15 PolarHBondContact O-OG1 3.11Å
12I87.8Confident85.7Confident1 Ų154 Ų541%0.00528%0.281CS..Hα-helixtrans-55.2-49.1174.1-64.3162.8000110.1F8 N14 V16 L63 V66 I117 D120 V121 K124F8-I12 VanDerWaalsContact O-CG1 3.28Å; F8-I12 WeakPolarHBondContact O-CG1 3.33Å; F8-I12 PolarHBondContact O-N 3.46Å; I12-N14 PolarHBondContact O-N 3.48Å; I12-V16 HydrophobicContact CG2-CG2 4.25Å; I12-V16 WeakPolarHBondContact O-CB 3.44Å; I12-V16 WeakPolarHBondContact O-CG2 3.42Å; I12-V16 PolarHBondContact O-N 2.9Å; I12-V16 VanDerWaalsContact O-N 3.08Å; I12-L63 HydrophobicContact CG2-CD2 3.98Å; I12-V66 HydrophobicContact CG1-CG1 3.8Å; I12-I117 HydrophobicContact CD1-CG2 4.05Å; I12-D120 HydrophobicContact CD1-CB 4.01Å; I12-V121 HydrophobicContact CD1-CG2 4.01Å; I12-V121 HydrophobicContact CG1-CG2 4.39Å; I12-V121 HydrophobicContact CG2-CG2 4.33Å; I12-K124 HydrophobicContact CG2-CG 4.17Å
13H87.8Confident86.2Confident65 Ų6551.6 Ų51.630%0.30127%0.265SS..Hα-helixtrans-61.7-45.9-178.8-177.230.5000112.9T9 Q10 A11 F17 K124T9-H13 PolarHBondContact O-N 3.34Å; Q10-H13 PolarHBondContact O-N 3.47Å; A11-H13 VanDerWaalsContact C-N 3.31Å; A11-H13 PolarHBondContact O-N 3.41Å; H13-F17 VanDerWaalsContact O-CB 3.25Å; H13-F17 WeakPolarHBondContact O-CB 3.42Å; H13-F17 PolarHBondContact O-N 3.3Å; H13-F17 VanDerWaalsContact O-N 3.07Å; H13-K124 PolarHBondContact ND1-NZ 2.98Å; H13-K124 VanDerWaalsContact ND1-NZ 3.18Å
14N89.3Confident86.3Confident79 Ų7944.8 Ų44.842%0.42223%0.234SC..Hα-helixtrans-66.3-46.6-179.2-72.5-9000111.4Q10 A11 I12 F17 Q18Q10-N14 PolarHBondContact NE2-OD1 3.39Å; Q10-N14 WeakPolarHBondContact O-CB 3.4Å; Q10-N14 VanDerWaalsContact O-CG 3.28Å; Q10-N14 PolarHBondContact O-N 3.03Å; A11-N14 PolarHBondContact O-N 3.49Å; I12-N14 PolarHBondContact O-N 3.48Å; N14-F17 PolarHBondContact O-N 3.15Å; N14-Q18 WeakPolarHBondContact O-CB 3.33Å; N14-Q18 VanDerWaalsContact O-CG 3.26Å; N14-Q18 WeakPolarHBondContact O-CG 3.31Å; N14-Q18 PolarHBondContact O-N 3.31Å
15T88.6Confident86.4Confident42 Ų4245.3 Ų45.326%0.25824%0.235SC..Hα-helixtrans-59.5-51.3-179.5-61.30000111.2A11 F17 Q18 V19 A62A11-T15 VanDerWaalsContact O-CB 3.32Å; A11-T15 WeakPolarHBondContact O-CB 3.38Å; A11-T15 PolarHBondContact O-N 2.91Å; A11-T15 PolarHBondContact O-OG1 3.11Å; T15-F17 VanDerWaalsContact C-N 3.3Å; T15-F17 PolarHBondContact O-N 3.37Å; T15-Q18 PolarHBondContact O-N 3.16Å; T15-V19 WeakPolarHBondContact O-CG2 3.25Å; T15-V19 PolarHBondContact O-N 3.21Å; T15-A62 HydrophobicContact CG2-CB 3.52Å
16V88.6Confident86.3Confident0 Ų051.8 Ų51.80%027%0.269CS..Hα-helixtrans-63.3-39.1-179.2176.50000110.9I12 V20 Y40 L59 L63 K124I12-V16 HydrophobicContact CG2-CG2 4.25Å; I12-V16 WeakPolarHBondContact O-CB 3.44Å; I12-V16 WeakPolarHBondContact O-CG2 3.42Å; I12-V16 PolarHBondContact O-N 2.9Å; I12-V16 VanDerWaalsContact O-N 3.08Å; V16-V20 WeakPolarHBondContact O-CG2 3.48Å; V16-V20 PolarHBondContact O-N 3Å; V16-Y40 HydrophobicContact CB-CE2 4.36Å; V16-Y40 HydrophobicContact CG1-CD2 4.19Å; V16-Y40 HydrophobicContact CG1-CE1 4.09Å; V16-Y40 HydrophobicContact CG1-CE2 3.25Å; V16-Y40 WeakPolarHBondContact CG1-OH 3.39Å; V16-L59 HydrophobicContact CB-CD1 3.91Å; V16-L59 HydrophobicContact CG1-CD1 3.5Å; V16-L59 VanDerWaalsContact CG1-CD1 3.5Å; V16-L59 HydrophobicContact CG2-CD1 3.99Å; V16-L63 HydrophobicContact CG2-CD1 4.35Å; V16-L63 HydrophobicContact CG2-CD2 3.47Å; V16-L63 VanDerWaalsContact CG2-CD2 3.47Å; V16-L63 HydrophobicContact CG2-CG 4.02Å; V16-K124 HydrophobicContact CG1-CB 4.04Å; V16-K124 HydrophobicContact CG2-CB 4.34Å
17F88.6Confident85.8Confident35 Ų3549 Ų4915%0.15426%0.259CS..Hα-helixtrans-64.6-45.1176.2-176.8-88.9000112.4H13 N14 T15 L21 M38 L43H13-F17 VanDerWaalsContact O-CB 3.25Å; H13-F17 WeakPolarHBondContact O-CB 3.42Å; H13-F17 PolarHBondContact O-N 3.3Å; H13-F17 VanDerWaalsContact O-N 3.07Å; N14-F17 PolarHBondContact O-N 3.15Å; T15-F17 VanDerWaalsContact C-N 3.3Å; T15-F17 PolarHBondContact O-N 3.37Å; F17-L21 HydrophobicContact CE1-CB 4.45Å; F17-L21 HydrophobicContact CE1-CD2 3.88Å; F17-L21 WeakPolarHBondContact O-CB 3.29Å; F17-L21 PolarHBondContact O-N 3.03Å; F17-M38 WeakPolarHBondContact CE2-O 3.45Å; F17-L43 HydrophobicContact CD2-CD1 3.82Å; F17-L43 HydrophobicContact CE2-CD1 3.3Å; F17-L43 HydrophobicContact CZ-CD1 3.71Å
18Q87.8Confident85Confident119 Ų11945.6 Ų45.656%0.55625%0.252SS*.Hα-helixtrans-66.7-40.8-178.4-70.6-62.6-30.100112.5N14 T15 L21 G22N14-Q18 WeakPolarHBondContact O-CB 3.33Å; N14-Q18 VanDerWaalsContact O-CG 3.26Å; N14-Q18 WeakPolarHBondContact O-CG 3.31Å; N14-Q18 PolarHBondContact O-N 3.31Å; T15-Q18 PolarHBondContact O-N 3.16Å; Q18-L21 PolarHBondContact O-N 3.35Å; Q18-G22 PolarHBondContact O-N 3.49Å
19V87.9Confident83.7Confident31 Ų3146.2 Ų46.219%0.18827%0.265CS..Hα-helixtrans-60.4-51.7176.4173.40000110.4T15 L21 G22 Y23 D58 L59 A62T15-V19 WeakPolarHBondContact O-CG2 3.25Å; T15-V19 PolarHBondContact O-N 3.21Å; V19-L21 PolarHBondContact O-N 2.9Å; V19-G22 PolarHBondContact O-N 3.25Å; V19-Y23 HydrophobicContact CG1-CD2 4.32Å; V19-Y23 HydrophobicContact CG1-CE2 4.46Å; V19-Y23 WeakPolarHBondContact O-CD2 3.32Å; V19-Y23 PolarHBondContact O-N 2.83Å; V19-D58 HydrophobicContact CG1-CB 4.25Å; V19-L59 HydrophobicContact CB-CD1 4.33Å; V19-L59 HydrophobicContact CG1-CB 4.4Å; V19-L59 HydrophobicContact CG1-CD1 4.37Å; V19-A62 HydrophobicContact CG2-CB 4.06Å
20V85.9Confident82.3Confident0 Ų052.5 Ų52.50%030%0.297CS..Hα-helixtrans-65.2-42.2-179.21730000111.8V16 G22 Y23 V24 Y40 L43 I47 L59 Y128V16-V20 WeakPolarHBondContact O-CG2 3.48Å; V16-V20 PolarHBondContact O-N 3Å; V20-G22 VanDerWaalsContact C-N 3.33Å; V20-G22 PolarHBondContact O-N 3.15Å; V20-Y23 PolarHBondContact O-N 3.12Å; V20-V24 HydrophobicContact CG1-CG2 4.27Å; V20-V24 VanDerWaalsContact O-CG2 3.32Å; V20-V24 WeakPolarHBondContact O-CG2 3.46Å; V20-V24 PolarHBondContact O-N 3.37Å; V20-Y40 HydrophobicContact CB-CE2 4.17Å; V20-Y40 HydrophobicContact CG2-CE2 3.75Å; V20-L43 HydrophobicContact CG1-CB 3.92Å; V20-I47 HydrophobicContact CG1-CD1 3.94Å; V20-I47 HydrophobicContact CG1-CG1 4.41Å; V20-L59 HydrophobicContact CG2-CD1 4.36Å; V20-Y128 HydrophobicContact CG2-CD2 3.93Å; V20-Y128 HydrophobicContact CG2-CE2 3.9Å
21L86.2Confident80.7Confident7 Ų752.2 Ų52.24%0.03731%0.311CS..Hα-helixtrans-59.4-44.4176.8178.766.2000111.4F17 Q18 V19 Y23 V24 E25 F35 Q36 L43F17-L21 HydrophobicContact CE1-CB 4.45Å; F17-L21 HydrophobicContact CE1-CD2 3.88Å; F17-L21 WeakPolarHBondContact O-CB 3.29Å; F17-L21 PolarHBondContact O-N 3.03Å; Q18-L21 PolarHBondContact O-N 3.35Å; V19-L21 PolarHBondContact O-N 2.9Å; L21-Y23 VanDerWaalsContact C-N 3.34Å; L21-Y23 PolarHBondContact O-N 3.46Å; L21-V24 PolarHBondContact O-N 2.93Å; L21-E25 HydrophobicContact CD1-CG 4.07Å; L21-E25 HydrophobicContact CG-CG 4.31Å; L21-E25 WeakPolarHBondContact O-CB 3.43Å; L21-E25 WeakPolarHBondContact O-CG 3.21Å; L21-E25 PolarHBondContact O-N 3.01Å; L21-F35 HydrophobicContact CD1-CB 3.79Å; L21-Q36 HydrophobicContact CD1-CG 4.46Å; L21-Q36 HydrophobicContact CD2-CG 4.05Å; L21-L43 HydrophobicContact CD1-CD2 4.32Å
22G84.7Confident79.1Confident27 Ų2754 Ų5428%0.27832%0.316SS..Hα-helixtrans-58.5-44.4178.300000112.4Q18 V19 V20 E25 L26Q18-G22 PolarHBondContact O-N 3.49Å; V19-G22 PolarHBondContact O-N 3.25Å; V20-G22 VanDerWaalsContact C-N 3.33Å; V20-G22 PolarHBondContact O-N 3.15Å; G22-E25 PolarHBondContact O-N 3.19Å; G22-L26 WeakPolarHBondContact O-CB 3.39Å; G22-L26 WeakPolarHBondContact O-CD1 3.47Å; G22-L26 WeakPolarHBondContact O-CG 3.4Å; G22-L26 PolarHBondContact O-N 2.94Å
23Y84.8Confident77.8Confident46 Ų4659.7 Ų59.718%0.1835%0.35CS..Hα-helixtrans-67.7-37.3176.1-86.6-83.1000113.2V19 V20 L21 L26 C27 P54 C55 D58V19-Y23 HydrophobicContact CG1-CD2 4.32Å; V19-Y23 HydrophobicContact CG1-CE2 4.46Å; V19-Y23 WeakPolarHBondContact O-CD2 3.32Å; V19-Y23 PolarHBondContact O-N 2.83Å; V20-Y23 PolarHBondContact O-N 3.12Å; L21-Y23 VanDerWaalsContact C-N 3.34Å; L21-Y23 PolarHBondContact O-N 3.46Å; Y23-L26 PolarHBondContact O-N 2.86Å; Y23-C27 WeakPolarHBondContact O-CB 3.44Å; Y23-C27 PolarHBondContact O-N 3.16Å; Y23-C27 PolarHBondContact O-SG 2.99Å; Y23-P54 HydrophobicContact CE1-CB 3.92Å; Y23-C55 HydrophobicContact CD1-CB 3.92Å; Y23-C55 HydrophobicContact CD2-CB 3.69Å; Y23-C55 HydrophobicContact CE1-CB 4.22Å; Y23-C55 HydrophobicContact CE2-CB 4.02Å; Y23-C55 HydrophobicContact CG-CB 3.64Å; Y23-D58 HydrophobicContact CE2-CB 4.19Å; Y23-D58 WeakPolarHBondContact CE2-OD2 3.35Å; Y23-D58 PolarHBondContact OH-OD2 3.13Å
24V83.3Confident76.7Confident2 Ų263.6 Ų63.61%0.01237%0.367CS..Hα-helixtrans-66.2-43175.8171.90000111.4V20 L21 C27 A28 F35 L43 H46 I47V20-V24 HydrophobicContact CG1-CG2 4.27Å; V20-V24 VanDerWaalsContact O-CG2 3.32Å; V20-V24 WeakPolarHBondContact O-CG2 3.46Å; V20-V24 PolarHBondContact O-N 3.37Å; L21-V24 PolarHBondContact O-N 2.93Å; V24-C27 PolarHBondContact O-N 3.41Å; V24-A28 WeakPolarHBondContact O-CB 2.92Å; V24-A28 PolarHBondContact O-N 2.92Å; V24-F35 HydrophobicContact CG1-CB 4.5Å; V24-F35 HydrophobicContact CG1-CD1 3.86Å; V24-F35 HydrophobicContact CG1-CD2 4.3Å; V24-F35 HydrophobicContact CG1-CE1 4.14Å; V24-F35 HydrophobicContact CG1-CG 3.97Å; V24-F35 HydrophobicContact CG1-CZ 4.49Å; V24-L43 HydrophobicContact CG1-CD2 4.47Å; V24-H46 HydrophobicContact CG1-CB 4.1Å; V24-H46 HydrophobicContact CG2-CB 4.26Å; V24-I47 HydrophobicContact CG2-CG1 4.05Å
25E83.1Confident75.8Confident64 Ų6461 Ų6130%0.29935%0.352SS..Hα-helixtrans-65.1-38.3176.4-72.4-179.8164.700111.7L21 G22 G29 Q36L21-E25 HydrophobicContact CD1-CG 4.07Å; L21-E25 HydrophobicContact CG-CG 4.31Å; L21-E25 WeakPolarHBondContact O-CB 3.43Å; L21-E25 WeakPolarHBondContact O-CG 3.21Å; L21-E25 PolarHBondContact O-N 3.01Å; G22-E25 PolarHBondContact O-N 3.19Å; E25-G29 PolarHBondContact O-N 3.07Å; E25-Q36 PolarHBondContact OE1-NE2 2.79Å
26L81.7Confident75Confident139 Ų13964.7 Ų64.773%0.72837%0.366SS*.Hα-helixtrans-63.2-39.7173.3-74.3168.2000112.3G22 Y23G22-L26 WeakPolarHBondContact O-CB 3.39Å; G22-L26 WeakPolarHBondContact O-CD1 3.47Å; G22-L26 WeakPolarHBondContact O-CG 3.4Å; G22-L26 PolarHBondContact O-N 2.94Å; Y23-L26 PolarHBondContact O-N 2.86Å
27C73.6Confident74.3Confident52 Ų5274.1 Ų74.135%0.35141%0.407SS..Hα-helixtrans-74.8-34.4179.7-670000113.5Y23 V24 T48 S51Y23-C27 WeakPolarHBondContact O-CB 3.44Å; Y23-C27 PolarHBondContact O-N 3.16Å; Y23-C27 PolarHBondContact O-SG 2.99Å; V24-C27 PolarHBondContact O-N 3.41Å; C27-T48 HydrophobicContact CB-CG2 4Å; C27-S51 PolarHBondContact SG-OG 2.9Å; C27-S51 VanDerWaalsContact SG-OG 3.36Å
28A68.8Low73.9Confident49 Ų4975 Ų7541%0.40541%0.412SS..Hα-helixtrans-82-13-177.800000113.7V24 F35V24-A28 WeakPolarHBondContact O-CB 2.92Å; V24-A28 PolarHBondContact O-N 2.92Å; A28-F35 HydrophobicContact CB-CE2 3.67Å; A28-F35 HydrophobicContact CB-CZ 4.06Å
29G59.8Low73.7Confident36 Ų3676 Ų7637%0.37142%0.417SS..  trans66.1163.6-163.100000111.2E25 A31E25-G29 PolarHBondContact O-N 3.07Å; G29-A31 PolarHBondContact O-N 3.46Å
30N56.6Low73.6Confident174 Ų17475.2 Ų75.293%0.9341%0.411SS*.THydrogen-bonded Turntrans-63.525.6-176.1-77.7-7000115.7
31A53.1Low73.5Confident90 Ų9081.8 Ų81.874%0.74444%0.439SS*.THydrogen-bonded Turntrans-94.1-22.1-168.700000115.2G29G29-A31 PolarHBondContact O-N 3.46Å
32D53.6Low73.4Confident77 Ų7784.7 Ų84.741%0.41245%0.454SS..  trans-129106.1-174.7-114.9-35.6000113.1K34 F35D32-K34 PolarHBondContact O-N 3.36Å; D32-F35 HydrophobicContact CB-CD2 4.11Å; D32-F35 HydrophobicContact CB-CE2 3.47Å; D32-F35 VanDerWaalsContact CB-CE2 3.47Å; D32-F35 HydrophobicContact CB-CZ 4.08Å; D32-F35 WeakPolarHBondContact O-CD2 3.33Å
33T60.1Low73.4Confident119 Ų11983.4 Ų83.473%0.7344%0.441SS*.THydrogen-bonded Turntrans-78.45174.847.30000113.5F35T33-F35 VanDerWaalsContact C-N 3.34Å
34K65.6Low73.4Confident148 Ų14881.2 Ų81.264%0.64343%0.433SS*.THydrogen-bonded Turntrans-75.3-21-177.4-69.5176.6-173.91600113.4D32 Q36 K37D32-K34 PolarHBondContact O-N 3.36Å; K34-Q36 VanDerWaalsContact C-N 3.3Å; K34-Q36 PolarHBondContact O-N 2.76Å; K34-K37 PolarHBondContact O-N 3.01Å
35F69.8Low73.4Confident25 Ų2584.9 Ų84.911%0.1146%0.455CS..G310 helixtrans-65.3-30.4-176.3-60.1-62.6000113.3L21 V24 A28 D32 T33 K37 M38 L43L21-F35 HydrophobicContact CD1-CB 3.79Å; V24-F35 HydrophobicContact CG1-CB 4.5Å; V24-F35 HydrophobicContact CG1-CD1 3.86Å; V24-F35 HydrophobicContact CG1-CD2 4.3Å; V24-F35 HydrophobicContact CG1-CE1 4.14Å; V24-F35 HydrophobicContact CG1-CG 3.97Å; V24-F35 HydrophobicContact CG1-CZ 4.49Å; A28-F35 HydrophobicContact CB-CE2 3.67Å; A28-F35 HydrophobicContact CB-CZ 4.06Å; D32-F35 HydrophobicContact CB-CD2 4.11Å; D32-F35 HydrophobicContact CB-CE2 3.47Å; D32-F35 VanDerWaalsContact CB-CE2 3.47Å; D32-F35 HydrophobicContact CB-CZ 4.08Å; D32-F35 WeakPolarHBondContact O-CD2 3.33Å; T33-F35 VanDerWaalsContact C-N 3.34Å; F35-K37 PolarHBondContact O-N 3.43Å; F35-K37 VanDerWaalsContact O-N 3.12Å; F35-M38 HydrophobicContact CD1-SD 3.71Å; F35-M38 HydrophobicContact CE1-SD 4.3Å; F35-M38 WeakPolarHBondContact O-CB 3.48Å; F35-M38 PolarHBondContact O-N 2.99Å; F35-L43 HydrophobicContact CB-CD2 4.01Å; F35-L43 HydrophobicContact CD1-CD2 4.41Å
36Q71.9Confident73.4Confident119 Ų11986.1 Ų86.156%0.55646%0.461SS*.G310 helixtrans-63.4-20.8178.9-67.5179.41.700114.2L21 E25 K34L21-Q36 HydrophobicContact CD1-CG 4.46Å; L21-Q36 HydrophobicContact CD2-CG 4.05Å; E25-Q36 PolarHBondContact OE1-NE2 2.79Å; K34-Q36 VanDerWaalsContact C-N 3.3Å; K34-Q36 PolarHBondContact O-N 2.76Å
37K73.9Confident73.5Confident198 Ų19880 Ų8086%0.86143%0.429SS*.G310 helixtrans-96.4-4.9178-66.9-175.8-178.9177.80113.5K34 F35K34-K37 PolarHBondContact O-N 3.01Å; F35-K37 PolarHBondContact O-N 3.43Å; F35-K37 VanDerWaalsContact O-N 3.12Å
38M79.9Confident74Confident52 Ų5280.5 Ų80.526%0.25643%0.43SS..SBendtrans-79.5151.6-177.3-66.4-175.566.100111.1F17 F35 D42 L43F17-M38 WeakPolarHBondContact CE2-O 3.45Å; F35-M38 HydrophobicContact CD1-SD 3.71Å; F35-M38 HydrophobicContact CE1-SD 4.3Å; F35-M38 WeakPolarHBondContact O-CB 3.48Å; F35-M38 PolarHBondContact O-N 2.99Å; M38-D42 HydrophobicContact CE-CB 3.56Å; M38-L43 HydrophobicContact CB-CD2 3.99Å; M38-L43 HydrophobicContact CB-CG 4.05Å
39Q84.4Confident74.6Confident142 Ų14282.3 Ų82.366%0.66443%0.433SS*.  trans-72.6151.9174.3-62.1-1696.300109.9K41 D42 L43Q39-K41 PolarHBondContact O-N 2.83Å; Q39-K41 VanDerWaalsContact O-N 3.1Å; Q39-D42 PolarHBondContact O-N 3.23Å; Q39-L43 PolarHBondContact O-N 2.56Å
40Y84.4Confident75.6Confident14 Ų1487.8 Ų87.86%0.05545%0.454CS..Hα-helixtrans-49.3-41.1178177-107.8000112.9V16 V20 D42 L43 C44 K124 V127V16-Y40 HydrophobicContact CB-CE2 4.36Å; V16-Y40 HydrophobicContact CG1-CD2 4.19Å; V16-Y40 HydrophobicContact CG1-CE1 4.09Å; V16-Y40 HydrophobicContact CG1-CE2 3.25Å; V16-Y40 WeakPolarHBondContact CG1-OH 3.39Å; V20-Y40 HydrophobicContact CB-CE2 4.17Å; V20-Y40 HydrophobicContact CG2-CE2 3.75Å; Y40-D42 VanDerWaalsContact C-N 3.34Å; Y40-D42 PolarHBondContact O-N 3.32Å; Y40-L43 PolarHBondContact O-N 3.24Å; Y40-C44 VanDerWaalsContact CZ-SG 3.54Å; Y40-C44 PolarHBondContact O-N 2.69Å; Y40-C44 PolarHBondContact O-SG 2.95Å; Y40-K124 HydrophobicContact CD1-CD 4.35Å; Y40-K124 HydrophobicContact CE1-CD 4.33Å; Y40-K124 WeakPolarHBondContact CE1-O 3.43Å; Y40-K124 PolarHBondContact OH-O 3.19Å; Y40-V127 HydrophobicContact CD1-CB 4.32Å; Y40-V127 HydrophobicContact CD1-CG1 3.81Å; Y40-V127 HydrophobicContact CE1-CB 3.98Å; Y40-V127 HydrophobicContact CE1-CG1 3.81Å
41K84.8Confident77Confident138 Ų13880.1 Ų80.160%0.641%0.413SS*.Hα-helixtrans-60.2-42.2178.5-177.4-178.8176.2-170.60112.6Q39 V127Q39-K41 PolarHBondContact O-N 2.83Å; Q39-K41 VanDerWaalsContact O-N 3.1Å; K41-V127 HydrophobicContact CB-CG1 3.93Å; K41-V127 HydrophobicContact CG-CG1 4.07Å
42D83.8Confident78.7Confident67 Ų6775.8 Ų75.836%0.35838%0.378SS..Hα-helixtrans-74.7-36.2-177.6-53.4-38000110.2M38 Q39 Y40 C44 T45 H46M38-D42 HydrophobicContact CE-CB 3.56Å; Q39-D42 PolarHBondContact O-N 3.23Å; Y40-D42 VanDerWaalsContact C-N 3.34Å; Y40-D42 PolarHBondContact O-N 3.32Å; D42-C44 VanDerWaalsContact C-N 3.33Å; D42-C44 PolarHBondContact O-N 3.45Å; D42-T45 PolarHBondContact O-N 3.49Å; D42-T45 VanDerWaalsContact O-N 3.1Å; D42-T45 PolarHBondContact O-OG1 3.34Å; D42-H46 PolarHBondContact O-CD2 3.26Å; D42-H46 VanDerWaalsContact O-CD2 3.28Å
43L84.1Confident80.3Confident0 Ų073.8 Ų73.80%037%0.367CS..Hα-helixtrans-58.2-42.3173.7-70.8174.7000112.6F17 V20 L21 V24 F35 M38 Q39 Y40 T45 H46F17-L43 HydrophobicContact CD2-CD1 3.82Å; F17-L43 HydrophobicContact CE2-CD1 3.3Å; F17-L43 HydrophobicContact CZ-CD1 3.71Å; V20-L43 HydrophobicContact CG1-CB 3.92Å; L21-L43 HydrophobicContact CD1-CD2 4.32Å; V24-L43 HydrophobicContact CG1-CD2 4.47Å; F35-L43 HydrophobicContact CB-CD2 4.01Å; F35-L43 HydrophobicContact CD1-CD2 4.41Å; M38-L43 HydrophobicContact CB-CD2 3.99Å; M38-L43 HydrophobicContact CB-CG 4.05Å; Q39-L43 PolarHBondContact O-N 2.56Å; Y40-L43 PolarHBondContact O-N 3.24Å; L43-T45 PolarHBondContact O-N 3.14Å; L43-T45 VanDerWaalsContact O-N 3.12Å; L43-H46 PolarHBondContact O-N 2.85Å
44C84.1Confident81.7Confident0 Ų070.7 Ų70.70%035%0.349CS..G310 helixtrans-59.7-23.8177.4-62.90000113.6Y40 D42 H46 T132Y40-C44 VanDerWaalsContact CZ-SG 3.54Å; Y40-C44 PolarHBondContact O-N 2.69Å; Y40-C44 PolarHBondContact O-SG 2.95Å; D42-C44 VanDerWaalsContact C-N 3.33Å; D42-C44 PolarHBondContact O-N 3.45Å; C44-H46 VanDerWaalsContact C-N 3.32Å; C44-T132 PolarHBondContact O-OG1 3.32Å
45T84.8Confident82.8Confident79 Ų7963.7 Ų63.749%0.48532%0.318SS..G310 helixtrans-78.5-16.1179.170.80000113.4D42 L43 G131D42-T45 PolarHBondContact O-N 3.49Å; D42-T45 VanDerWaalsContact O-N 3.1Å; D42-T45 PolarHBondContact O-OG1 3.34Å; L43-T45 PolarHBondContact O-N 3.14Å; L43-T45 VanDerWaalsContact O-N 3.12Å; T45-G131 WeakPolarHBondContact CG2-O 3.34Å
46H82.9Confident83.8Confident90 Ų9062.5 Ų62.542%0.41731%0.313SS..G310 helixtrans-94.80.2-177.2-74.3-70.5000114.1V24 D42 L43 C44V24-H46 HydrophobicContact CG1-CB 4.1Å; V24-H46 HydrophobicContact CG2-CB 4.26Å; D42-H46 PolarHBondContact O-CD2 3.26Å; D42-H46 VanDerWaalsContact O-CD2 3.28Å; L43-H46 PolarHBondContact O-N 2.85Å; C44-H46 VanDerWaalsContact C-N 3.32Å
47I84.2Confident84.5Confident11 Ų1157.9 Ų57.96%0.05629%0.293CS..  trans-73.9130178.7-57.3176.4000109.2V20 V24 S51 Y52 Y128V20-I47 HydrophobicContact CG1-CD1 3.94Å; V20-I47 HydrophobicContact CG1-CG1 4.41Å; V24-I47 HydrophobicContact CG2-CG1 4.05Å; I47-S51 WeakPolarHBondContact CG2-OG 3.36Å; I47-Y52 HydrophobicContact CG2-CD2 4.07Å; I47-Y128 HydrophobicContact CD1-CD2 4.04Å; I47-Y128 HydrophobicContact CD1-CE2 3.16Å
48T83.5Confident85.2Confident62 Ų6251.1 Ų51.138%0.3827%0.266SS..  trans-78.7155.4177.769.10000111.1C27 D50 S51 Y52C27-T48 HydrophobicContact CB-CG2 4Å; T48-D50 VanDerWaalsContact C-N 3.28Å; T48-D50 PolarHBondContact O-N 3.41Å; T48-S51 PolarHBondContact N-OG 3.49Å; T48-S51 PolarHBondContact O-N 3.34Å; T48-S51 VanDerWaalsContact O-N 3.16Å; T48-S51 PolarHBondContact O-OG 3.45Å; T48-S51 PolarHBondContact OG1-OG 3.3Å; T48-Y52 PolarHBondContact O-N 3.17Å
49L80.4Confident85.7Confident88 Ų8848.7 Ų48.746%0.46125%0.254SS..Hα-helixtrans-54.5-43.7-179.7-60.4174.5000112.1S51 Y52 F137L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 3.42Å; L49-Y52 WeakPolarHBondContact O-CB 3.47Å; L49-Y52 PolarHBondContact O-N 2.81Å; L49-F137 HydrophobicContact CD2-CD2 3.73Å; L49-F137 HydrophobicContact CD2-CE2 3.18Å; L49-F137 HydrophobicContact CD2-CZ 3.9Å; L49-F137 HydrophobicContact CG-CE2 4.49Å
50D82.6Confident85.9Confident151 Ų15142 Ų4281%0.80722%0.223SC*.Hα-helixtrans-67.1-34.3-178-58.6-33.7000112.3T48T48-D50 VanDerWaalsContact C-N 3.28Å; T48-D50 PolarHBondContact O-N 3.41Å
51S86.1Confident86Confident12 Ų1244 Ų448%0.08423%0.232CC..Hα-helixtrans-85.3-8.7178.164.50000114.2C27 I47 T48 L49 P54 C55C27-S51 PolarHBondContact SG-OG 2.9Å; C27-S51 VanDerWaalsContact SG-OG 3.36Å; I47-S51 WeakPolarHBondContact CG2-OG 3.36Å; T48-S51 PolarHBondContact N-OG 3.49Å; T48-S51 PolarHBondContact O-N 3.34Å; T48-S51 VanDerWaalsContact O-N 3.16Å; T48-S51 PolarHBondContact O-OG 3.45Å; T48-S51 PolarHBondContact OG1-OG 3.3Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 3.42Å; S51-P54 WeakPolarHBondContact O-CD 3.29Å; S51-C55 WeakPolarHBondContact O-CB 3.2Å; S51-C55 PolarHBondContact O-N 3.16Å
52Y88.6Confident86.2Confident0 Ų038.5 Ų38.50%021%0.213CC..Hα-helixtrans-67-48.4-169.3-172.9-95.5000113.1I47 T48 L49 L56 Y128 T132 M134 F137 V145I47-Y52 HydrophobicContact CG2-CD2 4.07Å; T48-Y52 PolarHBondContact O-N 3.17Å; L49-Y52 WeakPolarHBondContact O-CB 3.47Å; L49-Y52 PolarHBondContact O-N 2.81Å; Y52-L56 HydrophobicContact CE1-CD2 4.3Å; Y52-L56 WeakPolarHBondContact O-CB 3.33Å; Y52-L56 PolarHBondContact O-N 2.77Å; Y52-Y128 HydrophobicContact CD2-CE1 4.13Å; Y52-Y128 HydrophobicContact CE1-CE1 4.15Å; Y52-Y128 HydrophobicContact CE2-CD1 4.1Å; Y52-Y128 AromaticContact CE2-CE1 3.36Å; Y52-Y128 HydrophobicContact CE2-CE1 3.36Å; Y52-Y128 AromaticContact CE2-CZ 3.71Å; Y52-Y128 AromaticContact CZ-CD1 3.97Å; Y52-Y128 AromaticContact CZ-CE1 3.36Å; Y52-Y128 PolarHBondContact O-OH 3.11Å; Y52-Y128 VanDerWaalsContact O-OH 3.11Å; Y52-Y128 WeakPolarHBondContact OH-CD1 3.42Å; Y52-Y128 VanDerWaalsContact OH-CE1 3.3Å; Y52-Y128 WeakPolarHBondContact OH-CE1 3.49Å; Y52-T132 HydrophobicContact CD2-CG2 3.89Å; Y52-T132 HydrophobicContact CE2-CG2 3.94Å; Y52-T132 VanDerWaalsContact CE2-OG1 3.26Å; Y52-T132 WeakPolarHBondContact CE2-OG1 3.48Å; Y52-M134 HydrophobicContact CE1-CE 3.85Å; Y52-M134 WeakPolarHBondContact OH-CE 3.26Å; Y52-F137 AromaticContact CD1-CE1 3.83Å; Y52-F137 HydrophobicContact CD1-CE1 3.83Å; Y52-F137 AromaticContact CD1-CZ 3.65Å; Y52-F137 HydrophobicContact CD1-CZ 3.65Å; Y52-F137 HydrophobicContact CE1-CZ 4.4Å; Y52-F137 HydrophobicContact CG-CE1 4.3Å; Y52-F137 AromaticContact CG-CZ 3.76Å; Y52-F137 HydrophobicContact CG-CZ 3.76Å; Y52-V145 HydrophobicContact CD1-CG2 4.02Å; Y52-V145 HydrophobicContact CE1-CG1 4.16Å; Y52-V145 HydrophobicContact CE1-CG2 3.99Å
53I87.2Confident86.3Confident34 Ų3435.3 Ų35.317%0.17420%0.195CC..Hα-helixtrans-65.2-51-179.9-63.3172000110.6C55 L56 T57 D141 V144 V145I53-C55 VanDerWaalsContact C-N 3.33Å; I53-C55 PolarHBondContact O-N 3.07Å; I53-L56 PolarHBondContact O-N 2.88Å; I53-T57 PolarHBondContact O-N 3.13Å; I53-T57 PolarHBondContact O-OG1 2.97Å; I53-D141 HydrophobicContact CD1-CB 3.84Å; I53-V144 HydrophobicContact CD1-CB 4.4Å; I53-V144 HydrophobicContact CD1-CG1 4.41Å; I53-V144 HydrophobicContact CG2-CG1 3.8Å; I53-V145 HydrophobicContact CD1-CG2 4.4Å; I53-V145 HydrophobicContact CG1-CG2 3.8Å
54P88.1Confident86.4Confident55 Ų5535.5 Ų35.536%0.35720%0.196SC..Hα-helixtrans-55.4-45.4175.3-26.534.4000113.3Y23 S51 L56 T57 D58Y23-P54 HydrophobicContact CE1-CB 3.92Å; S51-P54 WeakPolarHBondContact O-CD 3.29Å; P54-L56 PolarHBondContact O-N 3.47Å; P54-T57 PolarHBondContact O-N 3.14Å; P54-D58 PolarHBondContact O-N 3.4Å
55C89.9Confident86.5Confident0 Ų040 Ų400%022%0.217CC..Hα-helixtrans-64.9-39.7178.7-177.30000112.1Y23 S51 I53 L59 Y128Y23-C55 HydrophobicContact CD1-CB 3.92Å; Y23-C55 HydrophobicContact CD2-CB 3.69Å; Y23-C55 HydrophobicContact CE1-CB 4.22Å; Y23-C55 HydrophobicContact CE2-CB 4.02Å; Y23-C55 HydrophobicContact CG-CB 3.64Å; S51-C55 WeakPolarHBondContact O-CB 3.2Å; S51-C55 PolarHBondContact O-N 3.16Å; I53-C55 VanDerWaalsContact C-N 3.33Å; I53-C55 PolarHBondContact O-N 3.07Å; C55-L59 WeakPolarHBondContact O-CB 3.43Å; C55-L59 PolarHBondContact O-N 2.76Å; C55-Y128 VanDerWaalsContact CB-OH 3.3Å; C55-Y128 WeakPolarHBondContact CB-OH 3.23Å; C55-Y128 PolarHBondContact SG-OH 3.4Å; C55-Y128 VanDerWaalsContact SG-OH 3.4Å
56L89.4Confident86.5Confident0 Ų037.2 Ų37.20%020%0.2CC..Hα-helixtrans-64.1-45.3176.2178.461000111.2Y52 I53 P54 L59 C60 Y128 V145 V148 I149Y52-L56 HydrophobicContact CE1-CD2 4.3Å; Y52-L56 WeakPolarHBondContact O-CB 3.33Å; Y52-L56 PolarHBondContact O-N 2.77Å; I53-L56 PolarHBondContact O-N 2.88Å; P54-L56 PolarHBondContact O-N 3.47Å; L56-L59 WeakPolarHBondContact O-CB 3.5Å; L56-L59 PolarHBondContact O-N 3.45Å; L56-C60 WeakPolarHBondContact O-CB 3.34Å; L56-C60 PolarHBondContact O-N 2.85Å; L56-C60 PolarHBondContact O-SG 3.23Å; L56-C60 VanDerWaalsContact O-SG 3.36Å; L56-Y128 HydrophobicContact CB-CE1 3.86Å; L56-Y128 HydrophobicContact CD1-CD1 3.88Å; L56-Y128 HydrophobicContact CD1-CE1 3.78Å; L56-Y128 HydrophobicContact CG-CE1 4.34Å; L56-Y128 PolarHBondContact N-OH 3.4Å; L56-V145 HydrophobicContact CD2-CB 4.45Å; L56-V145 HydrophobicContact CD2-CG1 3.91Å; L56-V145 HydrophobicContact CD2-CG2 4.45Å; L56-V148 HydrophobicContact CD2-CB 4.34Å; L56-V148 HydrophobicContact CD2-CG1 4.13Å; L56-V148 HydrophobicContact CG-CG1 3.94Å; L56-I149 HydrophobicContact CD2-CD1 4.42Å; L56-I149 HydrophobicContact CD2-CG1 4.14Å
57T88.3Confident86.6Confident22 Ų2232.9 Ų32.914%0.13518%0.18CC..Hα-helixtrans-59.6-51177.3-65.20000110.5I53 P54 L59 C60 K61 F257I53-T57 PolarHBondContact O-N 3.13Å; I53-T57 PolarHBondContact O-OG1 2.97Å; P54-T57 PolarHBondContact O-N 3.14Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 2.83Å; T57-C60 WeakPolarHBondContact O-CB 3.47Å; T57-C60 PolarHBondContact O-N 3.27Å; T57-C60 VanDerWaalsContact O-N 3.16Å; T57-K61 HydrophobicContact CG2-CD 4.34Å; T57-K61 HydrophobicContact CG2-CG 4.49Å; T57-K61 VanDerWaalsContact O-CG 3.29Å; T57-K61 WeakPolarHBondContact O-CG 3.38Å; T57-K61 PolarHBondContact O-N 3.17Å; T57-F257 HydrophobicContact CG2-CB 4.24Å
58D87.8Confident86.5Confident57 Ų5732.6 Ų32.631%0.30518%0.178SC..Hα-helixtrans-65.9-34.4180-72.8-15.7000112.8V19 Y23 P54 K61 A62V19-D58 HydrophobicContact CG1-CB 4.25Å; Y23-D58 HydrophobicContact CE2-CB 4.19Å; Y23-D58 WeakPolarHBondContact CE2-OD2 3.35Å; Y23-D58 PolarHBondContact OH-OD2 3.13Å; P54-D58 PolarHBondContact O-N 3.4Å; D58-K61 PolarHBondContact O-N 3.44Å; D58-A62 WeakPolarHBondContact O-CB 3.26Å; D58-A62 PolarHBondContact O-N 3.42Å
59L90Very high86.6Confident1 Ų132.3 Ų32.31%0.00518%0.179CC..Hα-helixtrans-59.3-48.6171.6-171.570.2000110.8V16 V19 V20 C55 L56 T57 A62 L63 Y128V16-L59 HydrophobicContact CB-CD1 3.91Å; V16-L59 HydrophobicContact CG1-CD1 3.5Å; V16-L59 VanDerWaalsContact CG1-CD1 3.5Å; V16-L59 HydrophobicContact CG2-CD1 3.99Å; V19-L59 HydrophobicContact CB-CD1 4.33Å; V19-L59 HydrophobicContact CG1-CB 4.4Å; V19-L59 HydrophobicContact CG1-CD1 4.37Å; V20-L59 HydrophobicContact CG2-CD1 4.36Å; C55-L59 WeakPolarHBondContact O-CB 3.43Å; C55-L59 PolarHBondContact O-N 2.76Å; L56-L59 WeakPolarHBondContact O-CB 3.5Å; L56-L59 PolarHBondContact O-N 3.45Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 2.83Å; L59-A62 PolarHBondContact O-N 2.99Å; L59-L63 HydrophobicContact CG-CD1 4.07Å; L59-L63 WeakPolarHBondContact O-CB 3.16Å; L59-L63 WeakPolarHBondContact O-CD1 3.18Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 3.47Å; L59-Y128 HydrophobicContact CD2-CD1 4.29Å; L59-Y128 HydrophobicContact CD2-CD2 3.94Å; L59-Y128 HydrophobicContact CD2-CE2 4.39Å; L59-Y128 HydrophobicContact CD2-CG 3.89Å
60C88.7Confident86.7Confident0 Ų028.1 Ų28.10%016%0.157CC..Hα-helixtrans-63.1-41177.4-75.50000112.1L56 T57 L63 W64 V148 F257L56-C60 WeakPolarHBondContact O-CB 3.34Å; L56-C60 PolarHBondContact O-N 2.85Å; L56-C60 PolarHBondContact O-SG 3.23Å; L56-C60 VanDerWaalsContact O-SG 3.36Å; T57-C60 WeakPolarHBondContact O-CB 3.47Å; T57-C60 PolarHBondContact O-N 3.27Å; T57-C60 VanDerWaalsContact O-N 3.16Å; C60-L63 PolarHBondContact O-N 2.88Å; C60-W64 WeakPolarHBondContact O-CB 3.39Å; C60-W64 PolarHBondContact O-N 2.86Å; C60-V148 HydrophobicContact CB-CG1 4.42Å; C60-F257 HydrophobicContact CB-CD1 3.87Å; C60-F257 HydrophobicContact CB-CD2 3.85Å; C60-F257 HydrophobicContact CB-CE1 3.7Å; C60-F257 HydrophobicContact CB-CE2 3.71Å; C60-F257 HydrophobicContact CB-CG 3.96Å; C60-F257 HydrophobicContact CB-CZ 3.64Å; C60-F257 WeakPolarHBondContact O-CE2 3.38Å
61K87.6Confident86.6Confident57 Ų5723 Ų2325%0.24813%0.128CC..Hα-helixtrans-60.6-47.4174.2-66.9-177.5175.7171.40111.7T57 D58 L63 W64 E65 N255 F257T57-K61 HydrophobicContact CG2-CD 4.34Å; T57-K61 HydrophobicContact CG2-CG 4.49Å; T57-K61 VanDerWaalsContact O-CG 3.29Å; T57-K61 WeakPolarHBondContact O-CG 3.38Å; T57-K61 PolarHBondContact O-N 3.17Å; D58-K61 PolarHBondContact O-N 3.44Å; K61-L63 VanDerWaalsContact C-N 3.33Å; K61-L63 PolarHBondContact O-N 3.29Å; K61-W64 WeakPolarHBondContact O-CB 3.48Å; K61-W64 PolarHBondContact O-N 3.19Å; K61-E65 PolarHBondContact O-N 2.83Å; K61-E65 VanDerWaalsContact O-N 3.17Å; K61-N255 WeakPolarHBondContact CB-ND2 3.42Å; K61-N255 VanDerWaalsContact CG-ND2 3.32Å; K61-N255 WeakPolarHBondContact CG-ND2 3.48Å; K61-F257 HydrophobicContact CG-CB 4.03Å; K61-F257 HydrophobicContact CG-CD2 4.31Å
62A87.3Confident86.4Confident23 Ų2328 Ų2819%0.1915%0.145CC..Hα-helixtrans-67.6-34.6-178.900000112.4T15 V19 D58 L59 V66T15-A62 HydrophobicContact CG2-CB 3.52Å; V19-A62 HydrophobicContact CG2-CB 4.06Å; D58-A62 WeakPolarHBondContact O-CB 3.26Å; D58-A62 PolarHBondContact O-N 3.42Å; L59-A62 PolarHBondContact O-N 2.99Å; A62-V66 WeakPolarHBondContact O-CG2 3.49Å; A62-V66 PolarHBondContact O-N 3.23Å
63L86.9Confident86Confident0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-67.8-39.6173.3-74.2167.8000112.2I12 V16 L59 C60 K61 E65 V66 M67 V121 V125I12-L63 HydrophobicContact CG2-CD2 3.98Å; V16-L63 HydrophobicContact CG2-CD1 4.35Å; V16-L63 HydrophobicContact CG2-CD2 3.47Å; V16-L63 VanDerWaalsContact CG2-CD2 3.47Å; V16-L63 HydrophobicContact CG2-CG 4.02Å; L59-L63 HydrophobicContact CG-CD1 4.07Å; L59-L63 WeakPolarHBondContact O-CB 3.16Å; L59-L63 WeakPolarHBondContact O-CD1 3.18Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 3.47Å; C60-L63 PolarHBondContact O-N 2.88Å; K61-L63 VanDerWaalsContact C-N 3.33Å; K61-L63 PolarHBondContact O-N 3.29Å; L63-E65 PolarHBondContact O-N 2.99Å; L63-V66 PolarHBondContact O-N 3.41Å; L63-M67 WeakPolarHBondContact O-CG 3.45Å; L63-M67 PolarHBondContact O-N 2.66Å; L63-V121 HydrophobicContact CB-CG1 4.44Å; L63-V121 HydrophobicContact CD1-CG1 4.02Å; L63-V121 HydrophobicContact CD2-CG1 4.08Å; L63-V121 HydrophobicContact CD2-CG2 4.02Å; L63-V121 HydrophobicContact CG-CG1 4.42Å; L63-V125 HydrophobicContact CD1-CG2 3.41Å; L63-V125 VanDerWaalsContact CD1-CG2 3.41Å
64W86.4Confident85.6Confident3 Ų329.2 Ų29.21%0.01115%0.153CC..Hα-helixtrans-57.4-46.2173.8170.3-99.6000111.8C60 K61 V66 M67 L68 V155 L246 F247 P256 F257C60-W64 WeakPolarHBondContact O-CB 3.39Å; C60-W64 PolarHBondContact O-N 2.86Å; K61-W64 WeakPolarHBondContact O-CB 3.48Å; K61-W64 PolarHBondContact O-N 3.19Å; W64-V66 VanDerWaalsContact C-N 3.32Å; W64-V66 PolarHBondContact O-N 3.38Å; W64-M67 CarbonylContact O-C 3.58Å; W64-M67 PolarHBondContact O-N 3.45Å; W64-M67 VanDerWaalsContact O-N 3.14Å; W64-L68 WeakPolarHBondContact O-CB 3.44Å; W64-L68 PolarHBondContact O-N 3.36Å; W64-V155 HydrophobicContact CE3-CB 4.4Å; W64-V155 HydrophobicContact CE3-CG1 3.6Å; W64-V155 HydrophobicContact CE3-CG2 3.89Å; W64-V155 HydrophobicContact CZ3-CB 4.25Å; W64-V155 HydrophobicContact CZ3-CG1 3.64Å; W64-V155 HydrophobicContact CZ3-CG2 3.7Å; W64-L246 HydrophobicContact CH2-CB 4.44Å; W64-F247 HydrophobicContact CE3-CE1 4.39Å; W64-F247 HydrophobicContact CE3-CZ 4.25Å; W64-F247 AromaticContact CH2-CD1 3.68Å; W64-F247 HydrophobicContact CH2-CD1 3.68Å; W64-F247 HydrophobicContact CH2-CD2 4.07Å; W64-F247 AromaticContact CH2-CE1 3.57Å; W64-F247 HydrophobicContact CH2-CE1 3.57Å; W64-F247 AromaticContact CH2-CE2 3.98Å; W64-F247 HydrophobicContact CH2-CE2 3.98Å; W64-F247 AromaticContact CH2-CG 3.93Å; W64-F247 HydrophobicContact CH2-CG 3.93Å; W64-F247 AromaticContact CH2-CZ 3.73Å; W64-F247 HydrophobicContact CH2-CZ 3.73Å; W64-F247 HydrophobicContact CZ2-CD1 4.26Å; W64-F247 HydrophobicContact CZ2-CE1 4.27Å; W64-F247 HydrophobicContact CZ3-CD1 4.22Å; W64-F247 HydrophobicContact CZ3-CD2 4.34Å; W64-F247 AromaticContact CZ3-CE1 3.65Å; W64-F247 HydrophobicContact CZ3-CE1 3.65Å; W64-F247 AromaticContact CZ3-CE2 3.79Å; W64-F247 HydrophobicContact CZ3-CE2 3.79Å; W64-F247 AromaticContact CZ3-CZ 3.4Å; W64-F247 HydrophobicContact CZ3-CZ 3.4Å; W64-F247 VanDerWaalsContact CZ3-CZ 3.4Å; W64-P256 HydrophobicContact CD2-CG 4.01Å; W64-P256 HydrophobicContact CE3-CG 4.17Å; W64-P256 HydrophobicContact CH2-CG 4.16Å; W64-P256 HydrophobicContact CZ2-CG 4.01Å; W64-P256 HydrophobicContact CZ3-CG 4.24Å; W64-F257 HydrophobicContact CB-CE2 4.22Å
65E85.5Confident85.2Confident96 Ų9629 Ų2945%0.44915%0.147SC..Hα-helixtrans-58.9-41.2178.1-70.4-56.9139.400112.8K61 L63 L68 S69K61-E65 PolarHBondContact O-N 2.83Å; K61-E65 VanDerWaalsContact O-N 3.17Å; L63-E65 PolarHBondContact O-N 2.99Å; E65-L68 PolarHBondContact O-N 2.64Å; E65-S69 WeakPolarHBondContact O-CB 3.26Å; E65-S69 PolarHBondContact O-N 3.33Å
66V85.4Confident84.8Confident19 Ų1935.5 Ų35.512%0.11517%0.172CC..Hα-helixtrans-65.8-41.5177.2178.60000110.9F8 I12 A62 L63 W64 S69 Y70F8-V66 HydrophobicContact CD1-CG1 4.07Å; I12-V66 HydrophobicContact CG1-CG1 3.8Å; A62-V66 WeakPolarHBondContact O-CG2 3.49Å; A62-V66 PolarHBondContact O-N 3.23Å; L63-V66 PolarHBondContact O-N 3.41Å; W64-V66 VanDerWaalsContact C-N 3.32Å; W64-V66 PolarHBondContact O-N 3.38Å; V66-S69 PolarHBondContact O-N 3.34Å; V66-Y70 PolarHBondContact O-N 2.74Å; V66-Y70 VanDerWaalsContact O-N 3.16Å
67M84.4Confident84.2Confident0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-66.6-41.9176.1-69.117563.600111.8L63 W64 S69 Y70 H71 W118 V121 V155 F159L63-M67 WeakPolarHBondContact O-CG 3.45Å; L63-M67 PolarHBondContact O-N 2.66Å; W64-M67 CarbonylContact O-C 3.58Å; W64-M67 PolarHBondContact O-N 3.45Å; W64-M67 VanDerWaalsContact O-N 3.14Å; M67-S69 VanDerWaalsContact C-N 3.33Å; M67-S69 PolarHBondContact O-N 3.02Å; M67-Y70 WeakPolarHBondContact O-CB 3.31Å; M67-Y70 PolarHBondContact O-N 2.91Å; M67-Y70 VanDerWaalsContact O-N 3.13Å; M67-H71 PolarHBondContact O-N 3.01Å; M67-W118 HydrophobicContact CE-CE3 3.54Å; M67-W118 HydrophobicContact CE-CZ3 3.71Å; M67-W118 HydrophobicContact SD-CE3 3.83Å; M67-W118 HydrophobicContact SD-CZ3 3.72Å; M67-V121 HydrophobicContact CG-CG2 4.46Å; M67-V121 HydrophobicContact SD-CG2 4.36Å; M67-V155 HydrophobicContact CE-CG1 3.77Å; M67-V155 HydrophobicContact SD-CG1 4.29Å; M67-F159 HydrophobicContact CB-CD2 4.37Å; M67-F159 HydrophobicContact CB-CE2 4.04Å; M67-F159 HydrophobicContact CB-CZ 4.33Å; M67-F159 HydrophobicContact CE-CB 3.57Å; M67-F159 HydrophobicContact CE-CD1 3.56Å; M67-F159 HydrophobicContact CE-CD2 3.79Å; M67-F159 HydrophobicContact CE-CE1 4.1Å; M67-F159 HydrophobicContact CE-CE2 4.31Å; M67-F159 HydrophobicContact CE-CG 3.36Å; M67-F159 HydrophobicContact CE-CZ 4.43Å; M67-F159 HydrophobicContact CG-CZ 4.47Å; M67-F159 WeakPolarHBondContact O-CE2 3.42Å
68L83Confident83.5Confident4 Ų441.5 Ų41.52%0.02120%0.198CC..Hα-helixtrans-62.1-41.5176.1-175.464.5000111W64 E65 Y70 H71 R72 F247W64-L68 WeakPolarHBondContact O-CB 3.44Å; W64-L68 PolarHBondContact O-N 3.36Å; E65-L68 PolarHBondContact O-N 2.64Å; L68-Y70 VanDerWaalsContact C-N 3.29Å; L68-Y70 PolarHBondContact O-N 3.16Å; L68-H71 PolarHBondContact O-N 3.47Å; L68-R72 WeakPolarHBondContact O-CB 3.44Å; L68-R72 WeakPolarHBondContact O-CG 3.43Å; L68-R72 PolarHBondContact O-N 2.94Å; L68-F247 HydrophobicContact CD1-CD1 4.05Å; L68-F247 HydrophobicContact CD1-CE1 4.43Å
69S84.3Confident82.9Confident57 Ų5744 Ų4440%0.39921%0.208SC..Hα-helixtrans-60.3-38.6173.5-176.80000112.3E65 V66 M67 T73E65-S69 WeakPolarHBondContact O-CB 3.26Å; E65-S69 PolarHBondContact O-N 3.33Å; V66-S69 PolarHBondContact O-N 3.34Å; M67-S69 VanDerWaalsContact C-N 3.33Å; M67-S69 PolarHBondContact O-N 3.02Å; S69-T73 PolarHBondContact O-N 3.06Å; S69-T73 VanDerWaalsContact O-N 3.07Å; S69-T73 PolarHBondContact O-OG1 3.4Å
70Y83.9Confident81.9Confident0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-68.9-42.8175.2-168.8-101.4000111.8H5 F8 V66 M67 L68 R72 T73 M74 L110 G113 L114 I117 F159H5-Y70 PolarHBondContact NE2-OH 3.35Å; F8-Y70 HydrophobicContact CD1-CD2 4.21Å; F8-Y70 AromaticContact CD2-CD2 3.79Å; F8-Y70 HydrophobicContact CD2-CD2 3.79Å; F8-Y70 HydrophobicContact CD2-CE2 4.19Å; F8-Y70 HydrophobicContact CE1-CD2 4.04Å; F8-Y70 AromaticContact CE2-CD2 3.61Å; F8-Y70 HydrophobicContact CE2-CD2 3.61Å; F8-Y70 HydrophobicContact CE2-CE2 4.19Å; F8-Y70 HydrophobicContact CG-CD2 4.1Å; F8-Y70 AromaticContact CZ-CD2 3.75Å; F8-Y70 HydrophobicContact CZ-CD2 3.75Å; F8-Y70 HydrophobicContact CZ-CG 4.48Å; V66-Y70 PolarHBondContact O-N 2.74Å; V66-Y70 VanDerWaalsContact O-N 3.16Å; M67-Y70 WeakPolarHBondContact O-CB 3.31Å; M67-Y70 PolarHBondContact O-N 2.91Å; M67-Y70 VanDerWaalsContact O-N 3.13Å; L68-Y70 VanDerWaalsContact C-N 3.29Å; L68-Y70 PolarHBondContact O-N 3.16Å; Y70-R72 PolarHBondContact O-N 2.68Å; Y70-T73 WeakPolarHBondContact O-CB 3.15Å; Y70-T73 PolarHBondContact O-N 2.88Å; Y70-T73 VanDerWaalsContact O-N 3.13Å; Y70-M74 HydrophobicContact CD1-SD 4.49Å; Y70-M74 HydrophobicContact CE1-CG 4.21Å; Y70-M74 HydrophobicContact CE1-SD 3.96Å; Y70-M74 PolarHBondContact O-N 2.95Å; Y70-L110 HydrophobicContact CE2-CD2 4.33Å; Y70-L110 WeakPolarHBondContact OH-CA 3.45Å; Y70-L110 WeakPolarHBondContact OH-CD2 3.21Å; Y70-L110 PolarHBondContact OH-O 3.2Å; Y70-L110 VanDerWaalsContact OH-O 3.09Å; Y70-G113 WeakPolarHBondContact OH-CA 3.39Å; Y70-L114 HydrophobicContact CD1-CD2 3.68Å; Y70-L114 HydrophobicContact CE1-CD2 3.63Å; Y70-L114 HydrophobicContact CE1-CG 4.02Å; Y70-I117 HydrophobicContact CD1-CD1 3.69Å; Y70-I117 HydrophobicContact CD2-CD1 3.17Å; Y70-I117 HydrophobicContact CE1-CD1 3.81Å; Y70-I117 HydrophobicContact CE2-CD1 3.34Å; Y70-I117 HydrophobicContact CG-CD1 3.34Å; Y70-F159 HydrophobicContact CD1-CE2 4.34Å; Y70-F159 AromaticContact CD1-CZ 3.77Å; Y70-F159 HydrophobicContact CD1-CZ 3.77Å; Y70-F159 HydrophobicContact CG-CZ 4.43Å
71H80.4Confident80.7Confident44 Ų4449.6 Ų49.620%0.20424%0.236CC..Hα-helixtrans-61.2-43.1176.8-168.376.8000111.8M67 L68 T73 M74 Q75 F159 F247M67-H71 PolarHBondContact O-N 3.01Å; L68-H71 PolarHBondContact O-N 3.47Å; H71-T73 VanDerWaalsContact C-N 3.32Å; H71-T73 PolarHBondContact O-N 3.16Å; H71-M74 WeakPolarHBondContact O-CB 3.35Å; H71-M74 PolarHBondContact O-N 3.38Å; H71-M74 VanDerWaalsContact O-N 3.17Å; H71-Q75 PolarHBondContact CD2-NE2 3.39Å; H71-Q75 VanDerWaalsContact CD2-NE2 3.27Å; H71-Q75 PolarHBondContact NE2-NE2 2.97Å; H71-Q75 WeakPolarHBondContact O-CG 3.32Å; H71-Q75 PolarHBondContact O-N 3.35Å; H71-F159 HydrophobicContact CB-CE2 4.4Å; H71-F247 HydrophobicContact CB-CD1 4.31Å; H71-F247 HydrophobicContact CB-CE1 4.28Å
72R80.9Confident79.4Confident115 Ų11553.6 Ų53.643%0.43425%0.253SS..Hα-helixtrans-61.7-38.9172.9-73.5176.3176.5168.3-0.2112.2L68 Y70 M74 Q75 W76 H251L68-R72 WeakPolarHBondContact O-CB 3.44Å; L68-R72 WeakPolarHBondContact O-CG 3.43Å; L68-R72 PolarHBondContact O-N 2.94Å; Y70-R72 PolarHBondContact O-N 2.68Å; R72-M74 VanDerWaalsContact C-N 3.31Å; R72-M74 PolarHBondContact O-N 3.2Å; R72-Q75 PolarHBondContact O-N 3.19Å; R72-W76 WeakPolarHBondContact O-CB 2.88Å; R72-W76 PolarHBondContact O-N 2.94Å; R72-H251 PolarHBondContact NH2-O 2.95Å; R72-H251 VanDerWaalsContact NH2-O 3.1Å
73T81.6Confident77.9Confident38 Ų3858.6 Ų58.623%0.23327%0.273CS..Hα-helixtrans-62.6-39.6174.9-55.10000111.2S69 Y70 H71 H77S69-T73 PolarHBondContact O-N 3.06Å; S69-T73 VanDerWaalsContact O-N 3.07Å; S69-T73 PolarHBondContact O-OG1 3.4Å; Y70-T73 WeakPolarHBondContact O-CB 3.15Å; Y70-T73 PolarHBondContact O-N 2.88Å; Y70-T73 VanDerWaalsContact O-N 3.13Å; H71-T73 VanDerWaalsContact C-N 3.32Å; H71-T73 PolarHBondContact O-N 3.16Å; T73-H77 PolarHBondContact O-CD2 3.36Å; T73-H77 VanDerWaalsContact O-CD2 3.29Å; T73-H77 PolarHBondContact O-N 3.4Å
74M78.8Confident76.3Confident22 Ų2265.7 Ų65.711%0.10830%0.304CS..Hα-helixtrans-66.8-47.7173.7-84.7-166.749.400112.9Y70 H71 R72 W76 H77 E78 L110 L114Y70-M74 HydrophobicContact CD1-SD 4.49Å; Y70-M74 HydrophobicContact CE1-CG 4.21Å; Y70-M74 HydrophobicContact CE1-SD 3.96Å; Y70-M74 PolarHBondContact O-N 2.95Å; H71-M74 WeakPolarHBondContact O-CB 3.35Å; H71-M74 PolarHBondContact O-N 3.38Å; H71-M74 VanDerWaalsContact O-N 3.17Å; R72-M74 VanDerWaalsContact C-N 3.31Å; R72-M74 PolarHBondContact O-N 3.2Å; M74-W76 VanDerWaalsContact C-N 3.28Å; M74-W76 PolarHBondContact O-N 3.37Å; M74-H77 WeakPolarHBondContact O-CB 3.38Å; M74-H77 PolarHBondContact O-N 3.29Å; M74-H77 VanDerWaalsContact O-N 3.07Å; M74-E78 PolarHBondContact O-N 2.89Å; M74-L110 HydrophobicContact CG-CB 4.04Å; M74-L110 HydrophobicContact CG-CD1 4.32Å; M74-L110 HydrophobicContact CG-CD2 4.3Å; M74-L110 HydrophobicContact CG-CG 4.44Å; M74-L110 HydrophobicContact SD-CB 4.17Å; M74-L114 HydrophobicContact CE-CD1 4.08Å; M74-L114 HydrophobicContact SD-CD1 3.77Å; M74-L114 HydrophobicContact SD-CD2 3.71Å; M74-L114 HydrophobicContact SD-CG 3.71Å
75Q78.8Confident74.5Confident51 Ų5170 Ų7024%0.23833%0.331CS..Hα-helixtrans-57.3-42.9177.2-74.4-176.2-9.400111.3H71 R72 H77 E78 E79 H251H71-Q75 PolarHBondContact CD2-NE2 3.39Å; H71-Q75 VanDerWaalsContact CD2-NE2 3.27Å; H71-Q75 PolarHBondContact NE2-NE2 2.97Å; H71-Q75 WeakPolarHBondContact O-CG 3.32Å; H71-Q75 PolarHBondContact O-N 3.35Å; R72-Q75 PolarHBondContact O-N 3.19Å; Q75-H77 VanDerWaalsContact C-N 3.33Å; Q75-H77 PolarHBondContact O-N 2.89Å; Q75-E78 PolarHBondContact O-N 3.37Å; Q75-E78 VanDerWaalsContact O-N 3.16Å; Q75-E79 WeakPolarHBondContact O-CG 3.36Å; Q75-E79 PolarHBondContact O-N 2.9Å; Q75-H251 PolarHBondContact OE1-NE2 2.91Å
76W81.8Confident72.6Confident136 Ų13670.5 Ų70.552%0.51534%0.34SS..Hα-helixtrans-58-44.7174.6-177.386.1000112R72 M74 E79 H80R72-W76 WeakPolarHBondContact O-CB 2.88Å; R72-W76 PolarHBondContact O-N 2.94Å; M74-W76 VanDerWaalsContact C-N 3.28Å; M74-W76 PolarHBondContact O-N 3.37Å; W76-E79 PolarHBondContact O-N 3.38Å; W76-H80 AromaticContact CD1-CD2 3.67Å; W76-H80 AromaticContact CD1-NE2 3.79Å; W76-H80 AromaticContact CD2-CD2 3.53Å; W76-H80 AromaticContact CE2-CD2 3.09Å; W76-H80 AromaticContact CE2-NE2 3.25Å; W76-H80 VanDerWaalsContact CE2-NE2 3.25Å; W76-H80 AromaticContact CG-CD2 3.89Å; W76-H80 AromaticContact CZ2-CD2 3.39Å; W76-H80 WeakPolarHBondContact CZ2-CD2 3.38Å; W76-H80 AromaticContact CZ2-NE2 3.44Å; W76-H80 WeakPolarHBondContact CZ2-NE2 3.46Å; W76-H80 AromaticContact NE1-CD2 3.19Å; W76-H80 PolarHBondContact NE1-CD2 2.91Å; W76-H80 AromaticContact NE1-NE2 3.01Å; W76-H80 PolarHBondContact NE1-NE2 2.87Å; W76-H80 WeakPolarHBondContact O-CB 3.36Å; W76-H80 PolarHBondContact O-CD2 3.46Å; W76-H80 VanDerWaalsContact O-CD2 3.28Å; W76-H80 PolarHBondContact O-N 3.03Å
77H77Confident70.6Confident67 Ų6774.9 Ų74.931%0.3137%0.369SS..Hα-helixtrans-64-40175.5-88.6-73.5000112.3T73 M74 Q75 D81 L110T73-H77 PolarHBondContact O-CD2 3.36Å; T73-H77 VanDerWaalsContact O-CD2 3.29Å; T73-H77 PolarHBondContact O-N 3.4Å; M74-H77 WeakPolarHBondContact O-CB 3.38Å; M74-H77 PolarHBondContact O-N 3.29Å; M74-H77 VanDerWaalsContact O-N 3.07Å; Q75-H77 VanDerWaalsContact C-N 3.33Å; Q75-H77 PolarHBondContact O-N 2.89Å; H77-D81 WeakPolarHBondContact O-CB 3.49Å; H77-D81 PolarHBondContact O-N 3.37Å; H77-L110 HydrophobicContact CB-CD1 4.04Å
78E74.1Confident68.6Low81 Ų8180.3 Ų80.338%0.37941%0.406SS..Hα-helixtrans-67.3-39.5176.8-69.9-169.3160.200113.2M74 Q75 D81 K82M74-E78 PolarHBondContact O-N 2.89Å; Q75-E78 PolarHBondContact O-N 3.37Å; Q75-E78 VanDerWaalsContact O-N 3.16Å; E78-D81 PolarHBondContact O-N 2.82Å; E78-K82 WeakPolarHBondContact O-CB 3.4Å; E78-K82 VanDerWaalsContact O-CG 3.31Å; E78-K82 WeakPolarHBondContact O-CG 3.48Å; E78-K82 PolarHBondContact O-N 2.95Å
79E75.1Confident66.7Low109 Ų10989.4 Ų89.451%0.50945%0.449SS..Hα-helixtrans-67.6-42.2176.4-74.8178.6176.700111.8Q75 W76 D81 K82 Q83Q75-E79 WeakPolarHBondContact O-CG 3.36Å; Q75-E79 PolarHBondContact O-N 2.9Å; W76-E79 PolarHBondContact O-N 3.38Å; E79-D81 VanDerWaalsContact C-N 3.31Å; E79-D81 PolarHBondContact O-N 3.23Å; E79-K82 PolarHBondContact O-N 3.38Å; E79-Q83 WeakPolarHBondContact O-CG 3.47Å; E79-Q83 PolarHBondContact O-N 2.86Å
80H68.1Low64.8Low66 Ų6693.8 Ų93.831%0.30647%0.468SS..Hα-helixtrans-70.9-25.1175.6-84.5-73000113.5W76 K84W76-H80 AromaticContact CD1-CD2 3.67Å; W76-H80 AromaticContact CD1-NE2 3.79Å; W76-H80 AromaticContact CD2-CD2 3.53Å; W76-H80 AromaticContact CE2-CD2 3.09Å; W76-H80 AromaticContact CE2-NE2 3.25Å; W76-H80 VanDerWaalsContact CE2-NE2 3.25Å; W76-H80 AromaticContact CG-CD2 3.89Å; W76-H80 AromaticContact CZ2-CD2 3.39Å; W76-H80 WeakPolarHBondContact CZ2-CD2 3.38Å; W76-H80 AromaticContact CZ2-NE2 3.44Å; W76-H80 WeakPolarHBondContact CZ2-NE2 3.46Å; W76-H80 AromaticContact NE1-CD2 3.19Å; W76-H80 PolarHBondContact NE1-CD2 2.91Å; W76-H80 AromaticContact NE1-NE2 3.01Å; W76-H80 PolarHBondContact NE1-NE2 2.87Å; W76-H80 WeakPolarHBondContact O-CB 3.36Å; W76-H80 PolarHBondContact O-CD2 3.46Å; W76-H80 VanDerWaalsContact O-CD2 3.28Å; W76-H80 PolarHBondContact O-N 3.03Å; H80-K84 PolarHBondContact O-N 3.38Å
81D63.8Low62.7Low54 Ų54101.9 Ų101.929%0.28951%0.511SS..Hα-helixtrans-75.1-38.3172.4-144.915.6000111.3H77 E78 E79 K84 T85 R103H77-D81 WeakPolarHBondContact O-CB 3.49Å; H77-D81 PolarHBondContact O-N 3.37Å; E78-D81 PolarHBondContact O-N 2.82Å; E79-D81 VanDerWaalsContact C-N 3.31Å; E79-D81 PolarHBondContact O-N 3.23Å; D81-K84 PolarHBondContact O-N 2.99Å; D81-T85 WeakPolarHBondContact O-CG2 3.35Å; D81-T85 PolarHBondContact O-N 3.11Å; D81-T85 PolarHBondContact O-OG1 2.87Å; D81-R103 VanDerWaalsContact OD1-CD 3.25Å; D81-R103 WeakPolarHBondContact OD1-CD 3.26Å; D81-R103 IonicContact OD1-CZ 3.7Å; D81-R103 IonicContact OD1-NE 4Å; D81-R103 IonicContact OD1-NH1 3.49Å; D81-R103 PolarHBondContact OD1-NH1 3.02Å
82K59.8Low61.1Low141 Ų141104.5 Ų104.561%0.61354%0.54SS*.Hα-helixtrans-66.2-38.6172.5-74.5172.4-175.1170.10113E78 E79 K84 T85E78-K82 WeakPolarHBondContact O-CB 3.4Å; E78-K82 VanDerWaalsContact O-CG 3.31Å; E78-K82 WeakPolarHBondContact O-CG 3.48Å; E78-K82 PolarHBondContact O-N 2.95Å; E79-K82 PolarHBondContact O-N 3.38Å; K82-K84 VanDerWaalsContact C-N 3.33Å; K82-K84 PolarHBondContact O-N 3.25Å; K82-T85 WeakPolarHBondContact CA-OG1 3.37Å; K82-T85 PolarHBondContact O-N 3.43Å; K82-T85 PolarHBondContact O-OG1 3.06Å
83Q56.7Low59.6Low128 Ų128104.3 Ų104.360%0.59856%0.563SS**Hα-helixtrans-69.1-28.7178.4-75.9174.811.400113.3E79E79-Q83 WeakPolarHBondContact O-CG 3.47Å; E79-Q83 PolarHBondContact O-N 2.86Å
84K52.7Low57.6Low148 Ų148106 Ų10664%0.64359%0.588SS**THydrogen-bonded Turntrans-91.5-2.2179.6-71.6-176.2-179.5179.90114.5H80 D81 K82H80-K84 PolarHBondContact O-N 3.38Å; D81-K84 PolarHBondContact O-N 2.99Å; K82-K84 VanDerWaalsContact C-N 3.33Å; K82-K84 PolarHBondContact O-N 3.25Å
85T49.3Very low56Low95 Ų95113.6 Ų113.658%0.58362%0.623SS**  trans-101.21.417837.90000113.2D81 K82 P87D81-T85 WeakPolarHBondContact O-CG2 3.35Å; D81-T85 PolarHBondContact O-N 3.11Å; D81-T85 PolarHBondContact O-OG1 2.87Å; K82-T85 WeakPolarHBondContact CA-OG1 3.37Å; K82-T85 PolarHBondContact O-N 3.43Å; K82-T85 PolarHBondContact O-OG1 3.06Å; T85-P87 WeakPolarHBondContact O-CD 3.49Å
86V44.1Very low54.3Low106 Ų106117.2 Ų117.264%0.64265%0.651SS**SBendtrans-72.5117.9168-173.60000108S88V86-S88 PolarHBondContact O-N 3.42Å; V86-S88 VanDerWaalsContact O-N 3.15Å
87P43.7Very low53.1Low111 Ų111114.5 Ų114.572%0.72165%0.647SS**  trans-72.8113-177.625.8-26.4000109.5T85 Q89T85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-Q89 PolarHBondContact O-N 3.3Å
88S42.7Very low52Low113 Ų113119.3 Ų119.379%0.7967%0.669SS**  trans-63.1125154.231.50000107.7V86 D90V86-S88 PolarHBondContact O-N 3.42Å; V86-S88 VanDerWaalsContact O-N 3.15Å; S88-D90 PolarHBondContact O-N 3.2Å
89Q43.7Very low51Low195 Ų195120.2 Ų120.291%0.91168%0.676SS**SBendtrans-66.713.8-164.2-114.7176.2-5.300116.6P87P87-Q89 PolarHBondContact O-N 3.3Å
90D44.6Very low50.3Low149 Ų149118.7 Ų118.780%0.79768%0.675SS**  trans-137.332.7-159.3-104.4-3.7000116.3S88S88-D90 PolarHBondContact O-N 3.2Å
91D39Very low49.9Very low171 Ų171120 Ų12091%0.91469%0.687SS**  trans-141.6109.5161.3-90.1-43.4000113.1
92A47.5Very low50Low98 Ų98122.2 Ų122.281%0.8170%0.699SS**  trans-93.8133.3167.400000109.6
93A49.8Very low50.4Low111 Ų111119 Ų11992%0.91768%0.683SS**  trans77.5106.4165.100000118.3
94G38.9Very low51Low73 Ų73115.5 Ų115.575%0.75367%0.673SS**  trans170.4105.1159.900000113.9
95E44.3Very low52.2Low182 Ų182114.2 Ų114.285%0.8567%0.665SS**  trans53.1149.6161.2-60.8-15816000120.9D97E95-D97 VanDerWaalsContact C-N 3.32Å; E95-D97 PolarHBondContact O-N 3.39Å
96P44.8Very low53.6Low127 Ų127111.5 Ų111.583%0.82565%0.648SS**SBendtrans-67.495.4169.128.8-31.3000108.9E98P96-E98 PolarHBondContact O-N 3.23Å; P96-E98 VanDerWaalsContact O-N 3.14Å
97D55Low55.1Low79 Ų79111.1 Ų111.142%0.42264%0.638SS.*  trans-40.7106.3-174.1-16013.7000113.2E95 L99 T100E95-D97 VanDerWaalsContact C-N 3.32Å; E95-D97 PolarHBondContact O-N 3.39Å; D97-L99 PolarHBondContact O-N 3.02Å; D97-T100 HydrophobicContact CB-CG2 4Å; D97-T100 PolarHBondContact O-N 3.16Å; D97-T100 PolarHBondContact O-OG1 3.04Å
98E53.7Low56.8Low168 Ų168112.6 Ų112.679%0.78563%0.633SS**Hα-helixtrans-47.2-31.1173.9-120.9178.8172.500111.5P96 T100 V101 D102P96-E98 PolarHBondContact O-N 3.23Å; P96-E98 VanDerWaalsContact O-N 3.14Å; E98-T100 VanDerWaalsContact C-N 3.34Å; E98-T100 PolarHBondContact O-N 3.38Å; E98-V101 PolarHBondContact O-N 3.4Å; E98-D102 PolarHBondContact O-N 3.08Å; E98-D102 VanDerWaalsContact O-N 3.07Å
99L54.9Low58.6Low100 Ų100109.6 Ų109.652%0.52461%0.606SS.*Hα-helixtrans-65.2-29.8176.7-63.7169.4000113.8D97 R103D97-L99 PolarHBondContact O-N 3.02Å; L99-R103 WeakPolarHBondContact O-CB 3.49Å; L99-R103 WeakPolarHBondContact O-CD 3.49Å; L99-R103 WeakPolarHBondContact O-CG 3.4Å; L99-R103 PolarHBondContact O-N 3.2Å
100T59.1Low60.4Low78 Ų78100.6 Ų100.648%0.47956%0.564SS.*Hα-helixtrans-74.7-34.917658.80000112.1D97 E98 S104D97-T100 HydrophobicContact CB-CG2 4Å; D97-T100 PolarHBondContact O-N 3.16Å; D97-T100 PolarHBondContact O-OG1 3.04Å; E98-T100 VanDerWaalsContact C-N 3.34Å; E98-T100 PolarHBondContact O-N 3.38Å; T100-S104 WeakPolarHBondContact O-CB 3.47Å; T100-S104 PolarHBondContact O-N 2.99Å
101V60.9Low62.1Low93 Ų9397.8 Ų97.856%0.56455%0.546SS*.Hα-helixtrans-67.5-46.1174.5-177.40000109.8E98 R103 S104 Y105E98-V101 PolarHBondContact O-N 3.4Å; V101-R103 PolarHBondContact O-N 3.12Å; V101-S104 PolarHBondContact O-N 3.3Å; V101-S104 PolarHBondContact O-OG 3.15Å; V101-Y105 WeakPolarHBondContact O-CB 3.47Å; V101-Y105 PolarHBondContact O-N 2.92Å
102D65.6Low64.2Low101 Ų10195.4 Ų95.454%0.5453%0.529SS..Hα-helixtrans-62.9-38.7175.8-92.3-7.4000113.1E98 Y105 V106E98-D102 PolarHBondContact O-N 3.08Å; E98-D102 VanDerWaalsContact O-N 3.07Å; D102-Y105 WeakPolarHBondContact O-CB 3.23Å; D102-Y105 PolarHBondContact O-N 3.47Å; D102-V106 WeakPolarHBondContact O-CG2 3.44Å; D102-V106 PolarHBondContact O-N 3.09Å
103R68.2Low65.8Low72 Ų7290.7 Ų90.727%0.27249%0.49SS..Hα-helixtrans-66.3-45.4174.6-77.4166.7-178.3-151.522112.6D81 L99 V101 Y105 V106 K107D81-R103 VanDerWaalsContact OD1-CD 3.25Å; D81-R103 WeakPolarHBondContact OD1-CD 3.26Å; D81-R103 IonicContact OD1-CZ 3.7Å; D81-R103 IonicContact OD1-NE 4Å; D81-R103 IonicContact OD1-NH1 3.49Å; D81-R103 PolarHBondContact OD1-NH1 3.02Å; L99-R103 WeakPolarHBondContact O-CB 3.49Å; L99-R103 WeakPolarHBondContact O-CD 3.49Å; L99-R103 WeakPolarHBondContact O-CG 3.4Å; L99-R103 PolarHBondContact O-N 3.2Å; V101-R103 PolarHBondContact O-N 3.12Å; R103-Y105 PolarHBondContact O-N 3.23Å; R103-V106 PolarHBondContact O-N 3.49Å; R103-K107 WeakPolarHBondContact O-CB 3.32Å; R103-K107 PolarHBondContact O-N 2.92Å
104S67.7Low67.4Low56 Ų5686.6 Ų86.639%0.39245%0.453SS..Hα-helixtrans-62.5-32.5175.880.40000111.8T100 V101 K108T100-S104 WeakPolarHBondContact O-CB 3.47Å; T100-S104 PolarHBondContact O-N 2.99Å; V101-S104 PolarHBondContact O-N 3.3Å; V101-S104 PolarHBondContact O-OG 3.15Å; S104-K108 WeakPolarHBondContact O-CB 3.29Å; S104-K108 VanDerWaalsContact O-CG 3.32Å; S104-K108 WeakPolarHBondContact O-CG 3.09Å; S104-K108 PolarHBondContact O-N 3.4Å
105Y78.6Confident69.6Low120 Ų12086 Ų8647%0.47144%0.435SS..Hα-helixtrans-68.9-46.7174.3175.5-95.5000112.1V101 D102 R103 K108 K109V101-Y105 WeakPolarHBondContact O-CB 3.47Å; V101-Y105 PolarHBondContact O-N 2.92Å; D102-Y105 WeakPolarHBondContact O-CB 3.23Å; D102-Y105 PolarHBondContact O-N 3.47Å; R103-Y105 PolarHBondContact O-N 3.23Å; Y105-K108 PolarHBondContact O-N 2.9Å; Y105-K109 HydrophobicContact CD1-CG 4.5Å; Y105-K109 HydrophobicContact CE1-CG 4.09Å; Y105-K109 HydrophobicContact CE2-CG 4.33Å; Y105-K109 WeakPolarHBondContact O-CB 3.46Å; Y105-K109 WeakPolarHBondContact O-CG 3.32Å; Y105-K109 PolarHBondContact O-N 3.14Å; Y105-K109 WeakPolarHBondContact OH-CE 3.41Å
106V78.3Confident71.5Confident39 Ų3982.7 Ų82.724%0.23641%0.414CS..Hα-helixtrans-61.8-44.5176.2171.50000111M1 D102 R103 K109 L110M1-V106 HydrophobicContact CE-CG1 4.15Å; M1-V106 HydrophobicContact SD-CG1 4.14Å; D102-V106 WeakPolarHBondContact O-CG2 3.44Å; D102-V106 PolarHBondContact O-N 3.09Å; R103-V106 PolarHBondContact O-N 3.49Å; V106-K109 PolarHBondContact O-N 2.82Å; V106-L110 HydrophobicContact CG1-CD1 4.04Å; V106-L110 HydrophobicContact CG1-CG 4.49Å; V106-L110 WeakPolarHBondContact O-CG 3.43Å; V106-L110 PolarHBondContact O-N 3.25Å
107K76.7Confident73.6Confident97 Ų9776.7 Ų76.742%0.42238%0.375SS..Hα-helixtrans-60.6-50.8177.4-172.8175-179.6174.70112R103 K109 L110 E111R103-K107 WeakPolarHBondContact O-CB 3.32Å; R103-K107 PolarHBondContact O-N 2.92Å; K107-K109 VanDerWaalsContact C-N 3.28Å; K107-K109 PolarHBondContact O-N 2.94Å; K107-L110 PolarHBondContact O-N 2.94Å; K107-L110 VanDerWaalsContact O-N 3.14Å; K107-E111 VanDerWaalsContact CE-OE1 3.26Å; K107-E111 WeakPolarHBondContact CE-OE1 3.39Å; K107-E111 WeakPolarHBondContact O-CG 3.42Å; K107-E111 PolarHBondContact O-N 3.3Å
108K78.8Confident75.3Confident142 Ų14273 Ų7362%0.61736%0.356SS*.Hα-helixtrans-60.2-35.6175.7-76178.4-179.7176.40112.8S104 Y105 H112S104-K108 WeakPolarHBondContact O-CB 3.29Å; S104-K108 VanDerWaalsContact O-CG 3.32Å; S104-K108 WeakPolarHBondContact O-CG 3.09Å; S104-K108 PolarHBondContact O-N 3.4Å; Y105-K108 PolarHBondContact O-N 2.9Å; K108-H112 WeakPolarHBondContact O-CB 3.49Å; K108-H112 PolarHBondContact O-N 2.91Å
109K81Confident76.9Confident50 Ų5070 Ų7022%0.21734%0.342CS..Hα-helixtrans-70.7-34.8176-84.9-76.5-166.5162.20112.7M1 D2 H5 Y105 V106 K107 G113M1-K109 HydrophobicContact CB-CB 4.33Å; M1-K109 HydrophobicContact CB-CG 4.48Å; M1-K109 HydrophobicContact CE-CB 3.98Å; M1-K109 HydrophobicContact CG-CB 4.2Å; D2-K109 IonicContact OD1-NZ 3.73Å; D2-K109 PolarHBondContact OD1-NZ 2.76Å; H5-K109 PolarHBondContact CE1-O 3.15Å; H5-K109 PolarHBondContact NE2-O 3.03Å; Y105-K109 HydrophobicContact CD1-CG 4.5Å; Y105-K109 HydrophobicContact CE1-CG 4.09Å; Y105-K109 HydrophobicContact CE2-CG 4.33Å; Y105-K109 WeakPolarHBondContact O-CB 3.46Å; Y105-K109 WeakPolarHBondContact O-CG 3.32Å; Y105-K109 PolarHBondContact O-N 3.14Å; Y105-K109 WeakPolarHBondContact OH-CE 3.41Å; V106-K109 PolarHBondContact O-N 2.82Å; K107-K109 VanDerWaalsContact C-N 3.28Å; K107-K109 PolarHBondContact O-N 2.94Å; K109-G113 PolarHBondContact O-N 3.26Å
110L80.9Confident78.5Confident6 Ų667 Ų673%0.03133%0.326CS..Hα-helixtrans-69.7-44.3173.2-74.4170.3000111.3M1 L4 Y70 M74 H77 V106 K107 H112 G113 L114M1-L110 HydrophobicContact CE-CD1 4.4Å; M1-L110 HydrophobicContact CE-CD2 3.53Å; M1-L110 HydrophobicContact CE-CG 3.5Å; L4-L110 HydrophobicContact CD2-CD2 4.29Å; Y70-L110 HydrophobicContact CE2-CD2 4.33Å; Y70-L110 WeakPolarHBondContact OH-CA 3.45Å; Y70-L110 WeakPolarHBondContact OH-CD2 3.21Å; Y70-L110 PolarHBondContact OH-O 3.2Å; Y70-L110 VanDerWaalsContact OH-O 3.09Å; M74-L110 HydrophobicContact CG-CB 4.04Å; M74-L110 HydrophobicContact CG-CD1 4.32Å; M74-L110 HydrophobicContact CG-CD2 4.3Å; M74-L110 HydrophobicContact CG-CG 4.44Å; M74-L110 HydrophobicContact SD-CB 4.17Å; H77-L110 HydrophobicContact CB-CD1 4.04Å; V106-L110 HydrophobicContact CG1-CD1 4.04Å; V106-L110 HydrophobicContact CG1-CG 4.49Å; V106-L110 WeakPolarHBondContact O-CG 3.43Å; V106-L110 PolarHBondContact O-N 3.25Å; K107-L110 PolarHBondContact O-N 2.94Å; K107-L110 VanDerWaalsContact O-N 3.14Å; L110-H112 VanDerWaalsContact C-N 3.33Å; L110-H112 PolarHBondContact O-N 3.48Å; L110-G113 WeakPolarHBondContact O-CA 3.42Å; L110-G113 PolarHBondContact O-N 3.06Å; L110-L114 PolarHBondContact O-N 3.34Å; L110-L114 VanDerWaalsContact O-N 3.15Å
111E81.2Confident79.9Confident90 Ų9063.3 Ų63.342%0.42130%0.303SS..Hα-helixtrans-58.1-44.1174.3-71.8169.4179.600111.5K107 G113 L114K107-E111 VanDerWaalsContact CE-OE1 3.26Å; K107-E111 WeakPolarHBondContact CE-OE1 3.39Å; K107-E111 WeakPolarHBondContact O-CG 3.42Å; K107-E111 PolarHBondContact O-N 3.3Å; E111-G113 VanDerWaalsContact C-N 3.26Å; E111-G113 PolarHBondContact O-N 2.91Å; E111-L114 WeakPolarHBondContact O-CB 3.49Å; E111-L114 PolarHBondContact O-N 2.93Å
112H81.9Confident81.3Confident121 Ų12159.3 Ų59.356%0.5628%0.279SS*.Hα-helixtrans-66.5-28.2173.2-172.871.8000113.1K108 L110 R116K108-H112 WeakPolarHBondContact O-CB 3.49Å; K108-H112 PolarHBondContact O-N 2.91Å; L110-H112 VanDerWaalsContact C-N 3.33Å; L110-H112 PolarHBondContact O-N 3.48Å; H112-R116 PolarHBondContact O-N 2.83Å
113G82.2Confident82.5Confident0 Ų058.9 Ų58.90%028%0.276CS..Hα-helixtrans-67.1-32.8176.900000113.7H5 Y70 K109 L110 E111 T115 R116 I117H5-G113 VanDerWaalsContact NE2-CA 3.3Å; H5-G113 WeakPolarHBondContact NE2-CA 3.39Å; Y70-G113 WeakPolarHBondContact OH-CA 3.39Å; K109-G113 PolarHBondContact O-N 3.26Å; L110-G113 WeakPolarHBondContact O-CA 3.42Å; L110-G113 PolarHBondContact O-N 3.06Å; E111-G113 VanDerWaalsContact C-N 3.26Å; E111-G113 PolarHBondContact O-N 2.91Å; G113-T115 PolarHBondContact O-N 3.33Å; G113-R116 PolarHBondContact O-N 3.35Å; G113-I117 WeakPolarHBondContact O-CB 3.32Å; G113-I117 WeakPolarHBondContact O-CG1 3.2Å; G113-I117 PolarHBondContact O-N 3.3Å
114L83Confident83.5Confident24 Ų2458 Ų5813%0.12627%0.274CS..Hα-helixtrans-56-50.8174.3-67.8170.2000111Y70 M74 L110 E111 R116 I117 W118 F159 C160Y70-L114 HydrophobicContact CD1-CD2 3.68Å; Y70-L114 HydrophobicContact CE1-CD2 3.63Å; Y70-L114 HydrophobicContact CE1-CG 4.02Å; M74-L114 HydrophobicContact CE-CD1 4.08Å; M74-L114 HydrophobicContact SD-CD1 3.77Å; M74-L114 HydrophobicContact SD-CD2 3.71Å; M74-L114 HydrophobicContact SD-CG 3.71Å; L110-L114 PolarHBondContact O-N 3.34Å; L110-L114 VanDerWaalsContact O-N 3.15Å; E111-L114 WeakPolarHBondContact O-CB 3.49Å; E111-L114 PolarHBondContact O-N 2.93Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 3.47Å; L114-I117 PolarHBondContact O-N 3.01Å; L114-W118 WeakPolarHBondContact O-CB 3.44Å; L114-W118 PolarHBondContact O-N 3.26Å; L114-F159 HydrophobicContact CB-CD1 4.5Å; L114-F159 HydrophobicContact CB-CE1 4.18Å; L114-F159 HydrophobicContact CD2-CD1 4.11Å; L114-F159 HydrophobicContact CD2-CD2 4.14Å; L114-F159 HydrophobicContact CD2-CE1 3.62Å; L114-F159 HydrophobicContact CD2-CE2 3.65Å; L114-F159 HydrophobicContact CD2-CG 4.37Å; L114-F159 HydrophobicContact CD2-CZ 3.39Å; L114-F159 WeakPolarHBondContact O-CE1 3.36Å; L114-C160 HydrophobicContact CB-CB 3.97Å
115T84.5Confident84.6Confident62 Ų6255.3 Ų55.338%0.3826%0.255SS..Hα-helixtrans-62.6-40.6178.7-47.30000111.7G113 Q119G113-T115 PolarHBondContact O-N 3.33Å; T115-Q119 WeakPolarHBondContact O-CB 3.18Å; T115-Q119 VanDerWaalsContact O-CG 3.25Å; T115-Q119 WeakPolarHBondContact O-CG 3.45Å; T115-Q119 PolarHBondContact O-N 2.96Å
116R85.3Confident85.2Confident111 Ų11152.5 Ų52.542%0.41925%0.245SC..Hα-helixtrans-66.8-47-179.8-177.1176.6177.5147.51.8112.4H112 G113 L114 W118 Q119 D120H112-R116 PolarHBondContact O-N 2.83Å; G113-R116 PolarHBondContact O-N 3.35Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 3.47Å; R116-W118 VanDerWaalsContact C-N 3.32Å; R116-W118 PolarHBondContact O-N 3Å; R116-Q119 WeakPolarHBondContact O-CB 3.35Å; R116-Q119 PolarHBondContact O-N 3.07Å; R116-D120 PolarHBondContact O-N 3.49Å; R116-D120 VanDerWaalsContact O-N 3.08Å
117I87.6Confident85.7Confident1 Ų153 Ų531%0.00525%0.248CC..Hα-helixtrans-60.9-46177.1-75170.4000109.8F8 I12 Y70 G113 L114 Q119 D120 V121 F159F8-I117 HydrophobicContact CB-CD1 4.04Å; F8-I117 HydrophobicContact CB-CG1 4.29Å; F8-I117 HydrophobicContact CD1-CD1 4.44Å; F8-I117 HydrophobicContact CG-CD1 4.13Å; I12-I117 HydrophobicContact CD1-CG2 4.05Å; Y70-I117 HydrophobicContact CD1-CD1 3.69Å; Y70-I117 HydrophobicContact CD2-CD1 3.17Å; Y70-I117 HydrophobicContact CE1-CD1 3.81Å; Y70-I117 HydrophobicContact CE2-CD1 3.34Å; Y70-I117 HydrophobicContact CG-CD1 3.34Å; G113-I117 WeakPolarHBondContact O-CB 3.32Å; G113-I117 WeakPolarHBondContact O-CG1 3.2Å; G113-I117 PolarHBondContact O-N 3.3Å; L114-I117 PolarHBondContact O-N 3.01Å; I117-Q119 VanDerWaalsContact C-N 3.34Å; I117-Q119 PolarHBondContact O-N 3.14Å; I117-D120 PolarHBondContact O-N 2.67Å; I117-V121 WeakPolarHBondContact O-CG2 3.25Å; I117-V121 PolarHBondContact O-N 3.47Å; I117-F159 HydrophobicContact CB-CE1 4.4Å; I117-F159 HydrophobicContact CG2-CE1 4.08Å; I117-F159 HydrophobicContact CG2-CZ 4.19Å
118W91.1Very high86.3Confident2 Ų248.3 Ų48.31%0.00823%0.228CC..Hα-helixtrans-62.3-40177.9-173.6-127.9000112.7M67 L114 R116 D120 V121 Q122 L152 F159 C160 S164 L167M67-W118 HydrophobicContact CE-CE3 3.54Å; M67-W118 HydrophobicContact CE-CZ3 3.71Å; M67-W118 HydrophobicContact SD-CE3 3.83Å; M67-W118 HydrophobicContact SD-CZ3 3.72Å; L114-W118 WeakPolarHBondContact O-CB 3.44Å; L114-W118 PolarHBondContact O-N 3.26Å; R116-W118 VanDerWaalsContact C-N 3.32Å; R116-W118 PolarHBondContact O-N 3Å; W118-D120 VanDerWaalsContact C-N 3.35Å; W118-D120 PolarHBondContact O-N 3.01Å; W118-V121 HydrophobicContact CE3-CB 4.08Å; W118-V121 HydrophobicContact CE3-CG1 4.08Å; W118-V121 HydrophobicContact CZ3-CB 4.3Å; W118-V121 HydrophobicContact CZ3-CG1 3.77Å; W118-V121 PolarHBondContact O-N 3.16Å; W118-Q122 HydrophobicContact CD2-CG 4.23Å; W118-Q122 HydrophobicContact CG-CG 4.49Å; W118-Q122 HydrophobicContact CZ2-CG 4.03Å; W118-Q122 WeakPolarHBondContact O-CB 3.36Å; W118-Q122 VanDerWaalsContact O-CG 3.29Å; W118-Q122 WeakPolarHBondContact O-CG 3.3Å; W118-Q122 PolarHBondContact O-N 3.27Å; W118-L152 HydrophobicContact CH2-CD1 4.06Å; W118-L152 HydrophobicContact CH2-CG 4.01Å; W118-L152 VanDerWaalsContact CH2-O 3.27Å; W118-L152 WeakPolarHBondContact CH2-O 3.41Å; W118-L152 HydrophobicContact CZ3-CD1 4.2Å; W118-F159 HydrophobicContact CB-CD1 4.34Å; W118-C160 VanDerWaalsContact CG-SG 3.59Å; W118-S164 VanDerWaalsContact CZ2-OG 3.22Å; W118-S164 WeakPolarHBondContact CZ2-OG 3.3Å; W118-S164 PolarHBondContact NE1-OG 2.81Å; W118-S164 VanDerWaalsContact NE1-OG 3.14Å; W118-L167 HydrophobicContact CH2-CD1 4.38Å; W118-L167 HydrophobicContact CZ2-CD1 4.2Å
119Q87.9Confident86.7Confident105 Ų10541.6 Ų41.649%0.49120%0.199SC..Hα-helixtrans-59.5-43.3173.5-77.9173.8100112.2T115 R116 I117 Q122 L123T115-Q119 WeakPolarHBondContact O-CB 3.18Å; T115-Q119 VanDerWaalsContact O-CG 3.25Å; T115-Q119 WeakPolarHBondContact O-CG 3.45Å; T115-Q119 PolarHBondContact O-N 2.96Å; R116-Q119 WeakPolarHBondContact O-CB 3.35Å; R116-Q119 PolarHBondContact O-N 3.07Å; I117-Q119 VanDerWaalsContact C-N 3.34Å; I117-Q119 PolarHBondContact O-N 3.14Å; Q119-Q122 PolarHBondContact O-N 2.87Å; Q119-L123 WeakPolarHBondContact O-CB 3.41Å; Q119-L123 VanDerWaalsContact O-CG 3.29Å; Q119-L123 WeakPolarHBondContact O-CG 3.33Å; Q119-L123 PolarHBondContact O-N 3.06Å
120D87.2Confident87Confident37 Ų3742 Ų4220%0.19820%0.203CC..Hα-helixtrans-63.4-43.7176.6-77.6-26.3000111.3T9 I12 R116 I117 W118 L123 K124T9-D120 WeakPolarHBondContact CB-OD2 3.5Å; T9-D120 VanDerWaalsContact CG2-OD2 3.23Å; T9-D120 WeakPolarHBondContact CG2-OD2 3.38Å; T9-D120 PolarHBondContact OG1-OD2 2.92Å; I12-D120 HydrophobicContact CD1-CB 4.01Å; R116-D120 PolarHBondContact O-N 3.49Å; R116-D120 VanDerWaalsContact O-N 3.08Å; I117-D120 PolarHBondContact O-N 2.67Å; W118-D120 VanDerWaalsContact C-N 3.35Å; W118-D120 PolarHBondContact O-N 3.01Å; D120-L123 PolarHBondContact O-N 2.88Å; D120-K124 WeakPolarHBondContact O-CG 3.41Å; D120-K124 PolarHBondContact O-N 3.36Å; D120-K124 VanDerWaalsContact O-N 3.11Å
121V89.6Confident87.1Confident0 Ų042.6 Ų42.60%021%0.211CC..Hα-helixtrans-59.5-50.4175.2173.90000111.1I12 L63 M67 I117 W118 L123 K124 V125I12-V121 HydrophobicContact CD1-CG2 4.01Å; I12-V121 HydrophobicContact CG1-CG2 4.39Å; I12-V121 HydrophobicContact CG2-CG2 4.33Å; L63-V121 HydrophobicContact CB-CG1 4.44Å; L63-V121 HydrophobicContact CD1-CG1 4.02Å; L63-V121 HydrophobicContact CD2-CG1 4.08Å; L63-V121 HydrophobicContact CD2-CG2 4.02Å; L63-V121 HydrophobicContact CG-CG1 4.42Å; M67-V121 HydrophobicContact CG-CG2 4.46Å; M67-V121 HydrophobicContact SD-CG2 4.36Å; I117-V121 WeakPolarHBondContact O-CG2 3.25Å; I117-V121 PolarHBondContact O-N 3.47Å; W118-V121 HydrophobicContact CE3-CB 4.08Å; W118-V121 HydrophobicContact CE3-CG1 4.08Å; W118-V121 HydrophobicContact CZ3-CB 4.3Å; W118-V121 HydrophobicContact CZ3-CG1 3.77Å; W118-V121 PolarHBondContact O-N 3.16Å; V121-L123 VanDerWaalsContact C-N 3.31Å; V121-L123 PolarHBondContact O-N 3.42Å; V121-K124 PolarHBondContact O-N 3.3Å; V121-V125 HydrophobicContact CG1-CG2 4.41Å; V121-V125 WeakPolarHBondContact O-CG2 3.3Å; V121-V125 PolarHBondContact O-N 3.2Å
122Q89.7Confident87.2Confident10 Ų1039 Ų395%0.04720%0.195CC..Hα-helixtrans-56.4-44178.1-75.4-177.9-1.300112.3W118 Q119 K126 S164 V166 L167W118-Q122 HydrophobicContact CD2-CG 4.23Å; W118-Q122 HydrophobicContact CG-CG 4.49Å; W118-Q122 HydrophobicContact CZ2-CG 4.03Å; W118-Q122 WeakPolarHBondContact O-CB 3.36Å; W118-Q122 VanDerWaalsContact O-CG 3.29Å; W118-Q122 WeakPolarHBondContact O-CG 3.3Å; W118-Q122 PolarHBondContact O-N 3.27Å; Q119-Q122 PolarHBondContact O-N 2.87Å; Q122-K126 WeakPolarHBondContact O-CB 3.43Å; Q122-K126 PolarHBondContact O-N 2.95Å; Q122-S164 VanDerWaalsContact NE2-CA 3.32Å; Q122-S164 PolarHBondContact NE2-OG 2.9Å; Q122-V166 HydrophobicContact CB-CB 4.45Å; Q122-L167 HydrophobicContact CB-CG 4.32Å; Q122-L167 HydrophobicContact CG-CD1 4.03Å; Q122-L167 HydrophobicContact CG-CG 4.04Å
123L90.3Very high87.1Confident91 Ų9137.3 Ų37.348%0.47619%0.19SC..Hα-helixtrans-66.3-38.4-179.3-73.6172.1000112Q119 D120 V121 V127Q119-L123 WeakPolarHBondContact O-CB 3.41Å; Q119-L123 VanDerWaalsContact O-CG 3.29Å; Q119-L123 WeakPolarHBondContact O-CG 3.33Å; Q119-L123 PolarHBondContact O-N 3.06Å; D120-L123 PolarHBondContact O-N 2.88Å; V121-L123 VanDerWaalsContact C-N 3.31Å; V121-L123 PolarHBondContact O-N 3.42Å; L123-V127 VanDerWaalsContact O-CG2 3.32Å; L123-V127 WeakPolarHBondContact O-CG2 3Å; L123-V127 PolarHBondContact O-N 2.88Å; L123-V127 VanDerWaalsContact O-N 3.14Å
124K90.5Very high87Confident53 Ų5337.4 Ų37.423%0.2319%0.191CC..Hα-helixtrans-68.9-43.8176.9-66.2-58-178.2-178.10112.2I12 H13 V16 Y40 D120 V121 V127 Y128I12-K124 HydrophobicContact CG2-CG 4.17Å; H13-K124 PolarHBondContact ND1-NZ 2.98Å; H13-K124 VanDerWaalsContact ND1-NZ 3.18Å; V16-K124 HydrophobicContact CG1-CB 4.04Å; V16-K124 HydrophobicContact CG2-CB 4.34Å; Y40-K124 HydrophobicContact CD1-CD 4.35Å; Y40-K124 HydrophobicContact CE1-CD 4.33Å; Y40-K124 WeakPolarHBondContact CE1-O 3.43Å; Y40-K124 PolarHBondContact OH-O 3.19Å; D120-K124 WeakPolarHBondContact O-CG 3.41Å; D120-K124 PolarHBondContact O-N 3.36Å; D120-K124 VanDerWaalsContact O-N 3.11Å; V121-K124 PolarHBondContact O-N 3.3Å; K124-V127 PolarHBondContact O-N 3.12Å; K124-Y128 PolarHBondContact O-N 3.32Å
125V90.3Very high86.9Confident0 Ų036.8 Ų36.80%019%0.188CC..Hα-helixtrans-68.5-37.7177.2176.30000111L63 V121 V127 Y128 I129 L152 L167L63-V125 HydrophobicContact CD1-CG2 3.41Å; L63-V125 VanDerWaalsContact CD1-CG2 3.41Å; V121-V125 HydrophobicContact CG1-CG2 4.41Å; V121-V125 WeakPolarHBondContact O-CG2 3.3Å; V121-V125 PolarHBondContact O-N 3.2Å; V125-V127 VanDerWaalsContact C-N 3.33Å; V125-V127 PolarHBondContact O-N 3.44Å; V125-Y128 WeakPolarHBondContact O-CB 3.35Å; V125-Y128 PolarHBondContact O-N 2.89Å; V125-Y128 VanDerWaalsContact O-N 3.13Å; V125-I129 HydrophobicContact CG1-CD1 3.72Å; V125-I129 HydrophobicContact CG1-CG1 4.23Å; V125-I129 WeakPolarHBondContact O-CG1 3.26Å; V125-I129 PolarHBondContact O-N 2.9Å; V125-L152 HydrophobicContact CB-CD2 4.31Å; V125-L152 HydrophobicContact CG1-CD2 3.86Å; V125-L152 HydrophobicContact CG2-CD2 3.91Å; V125-L167 HydrophobicContact CB-CD2 4.02Å; V125-L167 HydrophobicContact CG1-CD2 3.85Å
126K90.9Very high86.7Confident62 Ų6239.9 Ų39.927%0.2720%0.202SC..Hα-helixtrans-55.9-45.8171.6166.6169.8177.8174.40112.2Q122 Y128 I129 L130 V166 S170Q122-K126 WeakPolarHBondContact O-CB 3.43Å; Q122-K126 PolarHBondContact O-N 2.95Å; K126-Y128 VanDerWaalsContact C-N 3.28Å; K126-Y128 PolarHBondContact O-N 3.5Å; K126-I129 PolarHBondContact O-N 3.26Å; K126-L130 HydrophobicContact CD-CD1 4.39Å; K126-L130 HydrophobicContact CG-CD1 3.78Å; K126-L130 HydrophobicContact CG-CG 4.41Å; K126-L130 WeakPolarHBondContact O-CB 3.48Å; K126-L130 WeakPolarHBondContact O-CG 3.28Å; K126-L130 PolarHBondContact O-N 3.26Å; K126-V166 HydrophobicContact CB-CG1 4.31Å; K126-V166 HydrophobicContact CD-CG1 3.48Å; K126-V166 VanDerWaalsContact CD-CG1 3.48Å; K126-V166 HydrophobicContact CG-CG1 4.49Å; K126-S170 WeakPolarHBondContact CG-OG 3.09Å
127V89.7Confident86.6Confident48 Ų4835.4 Ų35.429%0.29119%0.186SC..Hα-helixtrans-64.6-35.6178.7171.10000111.2Y40 K41 L123 K124 V125 G131Y40-V127 HydrophobicContact CD1-CB 4.32Å; Y40-V127 HydrophobicContact CD1-CG1 3.81Å; Y40-V127 HydrophobicContact CE1-CB 3.98Å; Y40-V127 HydrophobicContact CE1-CG1 3.81Å; K41-V127 HydrophobicContact CB-CG1 3.93Å; K41-V127 HydrophobicContact CG-CG1 4.07Å; L123-V127 VanDerWaalsContact O-CG2 3.32Å; L123-V127 WeakPolarHBondContact O-CG2 3Å; L123-V127 PolarHBondContact O-N 2.88Å; L123-V127 VanDerWaalsContact O-N 3.14Å; K124-V127 PolarHBondContact O-N 3.12Å; V125-V127 VanDerWaalsContact C-N 3.33Å; V125-V127 PolarHBondContact O-N 3.44Å; V127-G131 PolarHBondContact O-N 2.92Å
128Y89.5Confident86.4Confident0 Ų042.7 Ų42.70%022%0.217CC..Hα-helixtrans-64.9-50.8173.9-172.8-91.9000112.2V20 I47 Y52 C55 L56 L59 K124 V125 K126 L130 G131V20-Y128 HydrophobicContact CG2-CD2 3.93Å; V20-Y128 HydrophobicContact CG2-CE2 3.9Å; I47-Y128 HydrophobicContact CD1-CD2 4.04Å; I47-Y128 HydrophobicContact CD1-CE2 3.16Å; Y52-Y128 HydrophobicContact CD2-CE1 4.13Å; Y52-Y128 HydrophobicContact CE1-CE1 4.15Å; Y52-Y128 HydrophobicContact CE2-CD1 4.1Å; Y52-Y128 AromaticContact CE2-CE1 3.36Å; Y52-Y128 HydrophobicContact CE2-CE1 3.36Å; Y52-Y128 AromaticContact CE2-CZ 3.71Å; Y52-Y128 AromaticContact CZ-CD1 3.97Å; Y52-Y128 AromaticContact CZ-CE1 3.36Å; Y52-Y128 PolarHBondContact O-OH 3.11Å; Y52-Y128 VanDerWaalsContact O-OH 3.11Å; Y52-Y128 WeakPolarHBondContact OH-CD1 3.42Å; Y52-Y128 VanDerWaalsContact OH-CE1 3.3Å; Y52-Y128 WeakPolarHBondContact OH-CE1 3.49Å; C55-Y128 VanDerWaalsContact CB-OH 3.3Å; C55-Y128 WeakPolarHBondContact CB-OH 3.23Å; C55-Y128 PolarHBondContact SG-OH 3.4Å; C55-Y128 VanDerWaalsContact SG-OH 3.4Å; L56-Y128 HydrophobicContact CB-CE1 3.86Å; L56-Y128 HydrophobicContact CD1-CD1 3.88Å; L56-Y128 HydrophobicContact CD1-CE1 3.78Å; L56-Y128 HydrophobicContact CG-CE1 4.34Å; L56-Y128 PolarHBondContact N-OH 3.4Å; L59-Y128 HydrophobicContact CD2-CD1 4.29Å; L59-Y128 HydrophobicContact CD2-CD2 3.94Å; L59-Y128 HydrophobicContact CD2-CE2 4.39Å; L59-Y128 HydrophobicContact CD2-CG 3.89Å; K124-Y128 PolarHBondContact O-N 3.32Å; V125-Y128 WeakPolarHBondContact O-CB 3.35Å; V125-Y128 PolarHBondContact O-N 2.89Å; V125-Y128 VanDerWaalsContact O-N 3.13Å; K126-Y128 VanDerWaalsContact C-N 3.28Å; K126-Y128 PolarHBondContact O-N 3.5Å; Y128-L130 VanDerWaalsContact C-N 3.33Å; Y128-L130 PolarHBondContact O-N 3.49Å; Y128-G131 PolarHBondContact O-N 3.23Å
129I87.4Confident85.9Confident1 Ų145.4 Ų45.41%0.00523%0.228CC..Hα-helixtrans-60.7-41179.3-67.2166.1000111.5V125 K126 G131 M134 I149 L167 Q174V125-I129 HydrophobicContact CG1-CD1 3.72Å; V125-I129 HydrophobicContact CG1-CG1 4.23Å; V125-I129 WeakPolarHBondContact O-CG1 3.26Å; V125-I129 PolarHBondContact O-N 2.9Å; K126-I129 PolarHBondContact O-N 3.26Å; I129-G131 VanDerWaalsContact C-N 3.34Å; I129-M134 HydrophobicContact CB-CE 4.48Å; I129-M134 HydrophobicContact CG2-CE 3.96Å; I129-I149 HydrophobicContact CD1-CD1 3.65Å; I129-I149 HydrophobicContact CD1-CG1 4.15Å; I129-I149 HydrophobicContact CD1-CG2 4.05Å; I129-I149 HydrophobicContact CG1-CD1 3.92Å; I129-L167 HydrophobicContact CD1-CD2 4.24Å; I129-Q174 HydrophobicContact CG2-CG 3.7Å; I129-Q174 PolarHBondContact O-NE2 3.37Å
130L87.2Confident85.6Confident58 Ų5845.7 Ų45.730%0.30423%0.233SC..Hα-helixtrans-84.6-8.1-179-63.9178.5000113.6K126 Y128 Q174K126-L130 HydrophobicContact CD-CD1 4.39Å; K126-L130 HydrophobicContact CG-CD1 3.78Å; K126-L130 HydrophobicContact CG-CG 4.41Å; K126-L130 WeakPolarHBondContact O-CB 3.48Å; K126-L130 WeakPolarHBondContact O-CG 3.28Å; K126-L130 PolarHBondContact O-N 3.26Å; Y128-L130 VanDerWaalsContact C-N 3.33Å; Y128-L130 PolarHBondContact O-N 3.49Å; L130-Q174 HydrophobicContact CD2-CG 4.46Å
131G82.3Confident85.6Confident19 Ų1946.9 Ų46.920%0.19624%0.24CC..Hα-helixtrans-80.7-21.8-179.700000113.8T45 V127 Y128 I129T45-G131 WeakPolarHBondContact CG2-O 3.34Å; V127-G131 PolarHBondContact O-N 2.92Å; Y128-G131 PolarHBondContact O-N 3.23Å; I129-G131 VanDerWaalsContact C-N 3.34Å
132T83.1Confident85.4Confident15 Ų1547 Ų479%0.09224%0.24CC..SBendtrans-116.3138.7-176.3-48.20000110.6C44 Y52 M134 Q174C44-T132 PolarHBondContact O-OG1 3.32Å; Y52-T132 HydrophobicContact CD2-CG2 3.89Å; Y52-T132 HydrophobicContact CE2-CG2 3.94Å; Y52-T132 VanDerWaalsContact CE2-OG1 3.26Å; Y52-T132 WeakPolarHBondContact CE2-OG1 3.48Å; T132-M134 PolarHBondContact O-N 3.4Å; T132-Q174 PolarHBondContact O-NE2 3.14Å; T132-Q174 VanDerWaalsContact O-NE2 3.16Å
133D80Confident85.1Confident84 Ų8448.4 Ų48.445%0.44925%0.248SC..  trans-81.9109.3171.7-175.514.8000110.1S135 N177D133-S135 VanDerWaalsContact C-N 3.26Å; D133-S135 PolarHBondContact O-N 3.33Å; D133-S135 WeakPolarHBondContact OD1-CB 3.42Å; D133-S135 PolarHBondContact OD1-N 3.41Å; D133-S135 VanDerWaalsContact OD1-N 3.09Å; D133-S135 PolarHBondContact OD1-OG 2.85Å; D133-N177 PolarHBondContact OD1-ND2 3.45Å
134M81.1Confident84.9Confident3 Ų345.9 Ų45.92%0.01524%0.236CC..  trans-82.9-2.9-179.5-60.1176.7-172.700113Y52 I129 T132 N136 F137 F142 V145 Q174 Y178Y52-M134 HydrophobicContact CE1-CE 3.85Å; Y52-M134 WeakPolarHBondContact OH-CE 3.26Å; I129-M134 HydrophobicContact CB-CE 4.48Å; I129-M134 HydrophobicContact CG2-CE 3.96Å; T132-M134 PolarHBondContact O-N 3.4Å; M134-N136 PolarHBondContact O-N 3.43Å; M134-F137 HydrophobicContact CB-CD2 4.09Å; M134-F137 HydrophobicContact CB-CE2 4.27Å; M134-F137 HydrophobicContact CG-CE2 4.3Å; M134-F137 WeakPolarHBondContact O-CB 3.28Å; M134-F137 VanDerWaalsContact O-CD2 3.27Å; M134-F137 WeakPolarHBondContact O-CD2 3.39Å; M134-F137 PolarHBondContact O-N 3.4Å; M134-F142 HydrophobicContact CB-CD2 4.24Å; M134-F142 HydrophobicContact CB-CE2 4.14Å; M134-F142 HydrophobicContact SD-CD2 4.43Å; M134-F142 HydrophobicContact SD-CE2 3.97Å; M134-V145 HydrophobicContact CE-CG1 4.24Å; M134-V145 HydrophobicContact SD-CG1 4.21Å; M134-Q174 HydrophobicContact CE-CG 4.32Å; M134-Q174 HydrophobicContact SD-CB 4.06Å; M134-Q174 HydrophobicContact SD-CG 4.07Å; M134-Y178 VanDerWaalsContact O-CD2 3.24Å; M134-Y178 WeakPolarHBondContact O-CD2 3.38Å
135S79.6Confident84.7Confident11 Ų1143.4 Ų43.48%0.07723%0.225CC..THydrogen-bonded Turntrans-58.7-25.2-169.9-59.10000115.2D133 N177 N181D133-S135 VanDerWaalsContact C-N 3.26Å; D133-S135 PolarHBondContact O-N 3.33Å; D133-S135 WeakPolarHBondContact OD1-CB 3.42Å; D133-S135 PolarHBondContact OD1-N 3.41Å; D133-S135 VanDerWaalsContact OD1-N 3.09Å; D133-S135 PolarHBondContact OD1-OG 2.85Å; S135-N177 PolarHBondContact OG-ND2 3Å; S135-N177 VanDerWaalsContact OG-ND2 3.14Å; S135-N181 WeakPolarHBondContact CB-ND2 3.45Å; S135-N181 PolarHBondContact OG-ND2 3.45Å
136N79.7Confident84.5Confident127 Ų12744 Ų4468%0.67923%0.228SC*.THydrogen-bonded Turntrans-100.57.2-177-61.5-44.5000113.5M134M134-N136 PolarHBondContact O-N 3.43Å
137F83.3Confident84.1Confident16 Ų1644.2 Ų44.27%0.0723%0.232CC..  trans-67.6147.2178.6-82.7-123.4000111.1L49 Y52 M134 D141 F142 V145 Y178L49-F137 HydrophobicContact CD2-CD2 3.73Å; L49-F137 HydrophobicContact CD2-CE2 3.18Å; L49-F137 HydrophobicContact CD2-CZ 3.9Å; L49-F137 HydrophobicContact CG-CE2 4.49Å; Y52-F137 AromaticContact CD1-CE1 3.83Å; Y52-F137 HydrophobicContact CD1-CE1 3.83Å; Y52-F137 AromaticContact CD1-CZ 3.65Å; Y52-F137 HydrophobicContact CD1-CZ 3.65Å; Y52-F137 HydrophobicContact CE1-CZ 4.4Å; Y52-F137 HydrophobicContact CG-CE1 4.3Å; Y52-F137 AromaticContact CG-CZ 3.76Å; Y52-F137 HydrophobicContact CG-CZ 3.76Å; M134-F137 HydrophobicContact CB-CD2 4.09Å; M134-F137 HydrophobicContact CB-CE2 4.27Å; M134-F137 HydrophobicContact CG-CE2 4.3Å; M134-F137 WeakPolarHBondContact O-CB 3.28Å; M134-F137 VanDerWaalsContact O-CD2 3.27Å; M134-F137 WeakPolarHBondContact O-CD2 3.39Å; M134-F137 PolarHBondContact O-N 3.4Å; F137-D141 HydrophobicContact CD1-CB 3.92Å; F137-F142 HydrophobicContact CB-CB 4.22Å; F137-V145 HydrophobicContact CE1-CG2 4.23Å; F137-Y178 HydrophobicContact CB-CE2 4.15Å; F137-Y178 WeakPolarHBondContact O-CE2 3.47Å; F137-Y178 PolarHBondContact O-OH 2.99Å
138K85Confident83.9Confident154 Ų15442.3 Ų42.367%0.6722%0.221SC*.  trans-63.6156.5164.9-61.8178.7-177.6171.90109.1D140 D141 F142K138-D140 PolarHBondContact O-N 3.01Å; K138-D141 HydrophobicContact CB-CB 4.4Å; K138-D141 WeakPolarHBondContact CB-OD2 3.21Å; K138-D141 PolarHBondContact O-N 3.47Å; K138-F142 PolarHBondContact O-N 3.15Å
139Y80.3Confident83.8Confident60 Ų6042.4 Ų42.424%0.23522%0.221CC..Hα-helixtrans-56.9-50.4-178.3176.4-114000111.9D141 F142 I143 Y178 M357 I360Y139-D141 PolarHBondContact O-N 3.33Å; Y139-F142 PolarHBondContact O-N 3.38Å; Y139-I143 HydrophobicContact CD2-CD1 4.39Å; Y139-I143 HydrophobicContact CD2-CG1 4.21Å; Y139-I143 HydrophobicContact CE1-CG1 4.1Å; Y139-I143 HydrophobicContact CE2-CD1 3.63Å; Y139-I143 HydrophobicContact CE2-CG1 3.71Å; Y139-I143 WeakPolarHBondContact O-CG1 3.44Å; Y139-I143 PolarHBondContact O-N 3.44Å; Y139-Y178 WeakPolarHBondContact CA-OH 3.48Å; Y139-M357 HydrophobicContact CD2-CE 3.39Å; Y139-M357 HydrophobicContact CD2-CG 4.34Å; Y139-M357 HydrophobicContact CD2-SD 4.25Å; Y139-M357 HydrophobicContact CE2-CE 3.56Å; Y139-M357 HydrophobicContact CE2-CG 3.55Å; Y139-M357 HydrophobicContact CE2-SD 4.02Å; Y139-M357 HydrophobicContact CG-CE 4.12Å; Y139-I360 WeakPolarHBondContact OH-CD1 3.39Å
140D81.4Confident83.6Confident110 Ų11044.9 Ų44.959%0.58824%0.238SC*.Hα-helixtrans-62.1-43.8-177.6-53.3-48.3000111.8K138 F142 I143 V144K138-D140 PolarHBondContact O-N 3.01Å; D140-F142 VanDerWaalsContact C-N 3.31Å; D140-F142 PolarHBondContact O-N 3.17Å; D140-I143 PolarHBondContact O-N 3.02Å; D140-I143 VanDerWaalsContact O-N 3.15Å; D140-V144 WeakPolarHBondContact O-CG2 3.47Å; D140-V144 PolarHBondContact O-N 3.12Å
141D86.1Confident83.5Confident63 Ų6345 Ų4534%0.33724%0.235SC..Hα-helixtrans-58.9-42.6176.3-62.9-23.6000111.5I53 F137 K138 Y139 V144 V145I53-D141 HydrophobicContact CD1-CB 3.84Å; F137-D141 HydrophobicContact CD1-CB 3.92Å; K138-D141 HydrophobicContact CB-CB 4.4Å; K138-D141 WeakPolarHBondContact CB-OD2 3.21Å; K138-D141 PolarHBondContact O-N 3.47Å; Y139-D141 PolarHBondContact O-N 3.33Å; D141-V144 PolarHBondContact O-N 3.38Å; D141-V145 WeakPolarHBondContact O-CG2 3.46Å; D141-V145 PolarHBondContact O-N 2.9Å; D141-V145 VanDerWaalsContact O-N 3.12Å
142F86.7Confident83.7Confident2 Ų244.1 Ų44.11%0.00923%0.226CC..Hα-helixtrans-66.2-39177.2-173.6-109.1000112.1M134 F137 K138 Y139 D140 V145 L146 Y178 L361M134-F142 HydrophobicContact CB-CD2 4.24Å; M134-F142 HydrophobicContact CB-CE2 4.14Å; M134-F142 HydrophobicContact SD-CD2 4.43Å; M134-F142 HydrophobicContact SD-CE2 3.97Å; F137-F142 HydrophobicContact CB-CB 4.22Å; K138-F142 PolarHBondContact O-N 3.15Å; Y139-F142 PolarHBondContact O-N 3.38Å; D140-F142 VanDerWaalsContact C-N 3.31Å; D140-F142 PolarHBondContact O-N 3.17Å; F142-V145 PolarHBondContact O-N 3.29Å; F142-L146 HydrophobicContact CD1-CD1 3.95Å; F142-L146 HydrophobicContact CD1-CG 4.44Å; F142-L146 HydrophobicContact CE1-CD1 3.66Å; F142-L146 HydrophobicContact CE1-CD2 4.35Å; F142-L146 HydrophobicContact CE1-CG 4.13Å; F142-L146 HydrophobicContact CZ-CD1 4.29Å; F142-L146 HydrophobicContact CZ-CD2 4.15Å; F142-L146 HydrophobicContact CZ-CG 4.31Å; F142-L146 WeakPolarHBondContact O-CG 3.02Å; F142-L146 PolarHBondContact O-N 3.1Å; F142-L146 VanDerWaalsContact O-N 3.11Å; F142-Y178 HydrophobicContact CB-CE1 4.34Å; F142-Y178 HydrophobicContact CB-CE2 4.11Å; F142-Y178 AromaticContact CD1-CD1 3.57Å; F142-Y178 HydrophobicContact CD1-CD1 3.57Å; F142-Y178 HydrophobicContact CD1-CD2 4.46Å; F142-Y178 AromaticContact CD1-CE1 3.67Å; F142-Y178 HydrophobicContact CD1-CE1 3.67Å; F142-Y178 AromaticContact CD1-CG 4Å; F142-Y178 HydrophobicContact CD1-CG 4Å; F142-Y178 HydrophobicContact CD2-CD1 4.45Å; F142-Y178 AromaticContact CD2-CD2 3.99Å; F142-Y178 HydrophobicContact CD2-CD2 3.99Å; F142-Y178 HydrophobicContact CD2-CE2 4.34Å; F142-Y178 HydrophobicContact CD2-CG 4.04Å; F142-Y178 AromaticContact CE1-CD1 3.61Å; F142-Y178 HydrophobicContact CE1-CD1 3.61Å; F142-Y178 HydrophobicContact CE1-CE1 4.18Å; F142-Y178 AromaticContact CE1-CG 3.94Å; F142-Y178 HydrophobicContact CE1-CG 3.94Å; F142-Y178 HydrophobicContact CE2-CD1 4.49Å; F142-Y178 HydrophobicContact CE2-CD2 4.32Å; F142-Y178 AromaticContact CE2-CG 4Å; F142-Y178 HydrophobicContact CE2-CG 4Å; F142-Y178 HydrophobicContact CG-CD1 4.02Å; F142-Y178 HydrophobicContact CG-CD2 4.09Å; F142-Y178 HydrophobicContact CG-CE1 4.02Å; F142-Y178 HydrophobicContact CG-CE2 4.08Å; F142-Y178 HydrophobicContact CG-CG 4.05Å; F142-Y178 HydrophobicContact CZ-CD1 4.11Å; F142-Y178 AromaticContact CZ-CG 3.96Å; F142-Y178 HydrophobicContact CZ-CG 3.96Å; F142-L361 HydrophobicContact CE1-CD1 4.27Å
143I84.1Confident83.7Confident40 Ų4044.7 Ų44.721%0.20523%0.228CC..Hα-helixtrans-63.9-40.6175.5-63.2-48.3000111.4Y139 D140 V145 L146 D147 I360Y139-I143 HydrophobicContact CD2-CD1 4.39Å; Y139-I143 HydrophobicContact CD2-CG1 4.21Å; Y139-I143 HydrophobicContact CE1-CG1 4.1Å; Y139-I143 HydrophobicContact CE2-CD1 3.63Å; Y139-I143 HydrophobicContact CE2-CG1 3.71Å; Y139-I143 WeakPolarHBondContact O-CG1 3.44Å; Y139-I143 PolarHBondContact O-N 3.44Å; D140-I143 PolarHBondContact O-N 3.02Å; D140-I143 VanDerWaalsContact O-N 3.15Å; I143-V145 VanDerWaalsContact C-N 3.34Å; I143-V145 PolarHBondContact O-N 2.86Å; I143-L146 HydrophobicContact CD1-CD1 4.03Å; I143-L146 WeakPolarHBondContact O-CB 3.35Å; I143-L146 PolarHBondContact O-N 3.03Å; I143-D147 PolarHBondContact O-N 3.39Å; I143-I360 HydrophobicContact CD1-CD1 3.84Å; I143-I360 HydrophobicContact CD1-CG2 4.16Å; I143-I360 HydrophobicContact CG1-CD1 4.4Å
144V85Confident83.9Confident38 Ų3845.7 Ų45.723%0.2323%0.23CC..Hα-helixtrans-61-43.7175.7174.20000111.1I53 D140 D141 L146 D147 V148 M259I53-V144 HydrophobicContact CD1-CB 4.4Å; I53-V144 HydrophobicContact CD1-CG1 4.41Å; I53-V144 HydrophobicContact CG2-CG1 3.8Å; D140-V144 WeakPolarHBondContact O-CG2 3.47Å; D140-V144 PolarHBondContact O-N 3.12Å; D141-V144 PolarHBondContact O-N 3.38Å; V144-L146 VanDerWaalsContact C-N 3.3Å; V144-L146 PolarHBondContact O-N 3.07Å; V144-D147 PolarHBondContact O-N 3.08Å; V144-V148 HydrophobicContact CG1-CG2 4.47Å; V144-V148 WeakPolarHBondContact O-CG2 3.11Å; V144-V148 PolarHBondContact O-N 3.46Å; V144-M259 HydrophobicContact CG1-SD 4.12Å
145V87Confident84.1Confident1 Ų145.6 Ų45.61%0.00623%0.229CC..Hα-helixtrans-57.7-44.2175.5170.80000111.3Y52 I53 L56 M134 F137 D141 F142 I143 I149Y52-V145 HydrophobicContact CD1-CG2 4.02Å; Y52-V145 HydrophobicContact CE1-CG1 4.16Å; Y52-V145 HydrophobicContact CE1-CG2 3.99Å; I53-V145 HydrophobicContact CD1-CG2 4.4Å; I53-V145 HydrophobicContact CG1-CG2 3.8Å; L56-V145 HydrophobicContact CD2-CB 4.45Å; L56-V145 HydrophobicContact CD2-CG1 3.91Å; L56-V145 HydrophobicContact CD2-CG2 4.45Å; M134-V145 HydrophobicContact CE-CG1 4.24Å; M134-V145 HydrophobicContact SD-CG1 4.21Å; F137-V145 HydrophobicContact CE1-CG2 4.23Å; D141-V145 WeakPolarHBondContact O-CG2 3.46Å; D141-V145 PolarHBondContact O-N 2.9Å; D141-V145 VanDerWaalsContact O-N 3.12Å; F142-V145 PolarHBondContact O-N 3.29Å; I143-V145 VanDerWaalsContact C-N 3.34Å; I143-V145 PolarHBondContact O-N 2.86Å; V145-I149 HydrophobicContact CG1-CD1 3.78Å; V145-I149 WeakPolarHBondContact O-CD1 3.44Å; V145-I149 VanDerWaalsContact O-CG1 3.26Å; V145-I149 WeakPolarHBondContact O-CG1 3.4Å; V145-I149 PolarHBondContact O-N 3.08Å
146L84.8Confident84.2Confident13 Ų1345 Ų457%0.06823%0.225CC..Hα-helixtrans-63.4-43.7177.5-65.9170.3000112.2F142 I143 V144 I149 S150 I171 I360 L361F142-L146 HydrophobicContact CD1-CD1 3.95Å; F142-L146 HydrophobicContact CD1-CG 4.44Å; F142-L146 HydrophobicContact CE1-CD1 3.66Å; F142-L146 HydrophobicContact CE1-CD2 4.35Å; F142-L146 HydrophobicContact CE1-CG 4.13Å; F142-L146 HydrophobicContact CZ-CD1 4.29Å; F142-L146 HydrophobicContact CZ-CD2 4.15Å; F142-L146 HydrophobicContact CZ-CG 4.31Å; F142-L146 WeakPolarHBondContact O-CG 3.02Å; F142-L146 PolarHBondContact O-N 3.1Å; F142-L146 VanDerWaalsContact O-N 3.11Å; I143-L146 HydrophobicContact CD1-CD1 4.03Å; I143-L146 WeakPolarHBondContact O-CB 3.35Å; I143-L146 PolarHBondContact O-N 3.03Å; V144-L146 VanDerWaalsContact C-N 3.3Å; V144-L146 PolarHBondContact O-N 3.07Å; L146-I149 PolarHBondContact O-N 3.18Å; L146-S150 WeakPolarHBondContact O-CB 3.27Å; L146-S150 PolarHBondContact O-N 2.69Å; L146-S150 PolarHBondContact O-OG 3.15Å; L146-I171 HydrophobicContact CD2-CG2 3.38Å; L146-I360 HydrophobicContact CD1-CG2 4.4Å; L146-L361 HydrophobicContact CD1-CD2 3.43Å; L146-L361 VanDerWaalsContact CD1-CD2 3.43Å; L146-L361 HydrophobicContact CD1-CG 4.29Å; L146-L361 HydrophobicContact CD2-CD2 4.23Å; L146-L361 HydrophobicContact CG-CD2 4.48Å
147D82.4Confident84.5Confident65 Ų6544.2 Ų44.235%0.34822%0.217SC..Hα-helixtrans-61.8-45.3179.7-173.246.7000111.5I143 V144 I149 S150 R151I143-D147 PolarHBondContact O-N 3.39Å; V144-D147 PolarHBondContact O-N 3.08Å; D147-I149 VanDerWaalsContact C-N 3.32Å; D147-I149 PolarHBondContact O-N 3.07Å; D147-S150 PolarHBondContact O-N 3.25Å; D147-R151 WeakPolarHBondContact O-CB 3.29Å; D147-R151 PolarHBondContact O-N 2.9Å; D147-R151 IonicContact OD1-NH2 2.76Å; D147-R151 IonicContact OD2-CZ 3.78Å; D147-R151 IonicContact OD2-NH2 3.73Å; D147-R151 PolarHBondContact OD2-NH2 3.49Å
148V86.4Confident84.4Confident8 Ų847.6 Ų47.65%0.04823%0.233CC..Hα-helixtrans-58.3-44.6176.9174.20000111.1L56 C60 V144 R151 L152 F257L56-V148 HydrophobicContact CD2-CB 4.34Å; L56-V148 HydrophobicContact CD2-CG1 4.13Å; L56-V148 HydrophobicContact CG-CG1 3.94Å; C60-V148 HydrophobicContact CB-CG1 4.42Å; V144-V148 HydrophobicContact CG1-CG2 4.47Å; V144-V148 WeakPolarHBondContact O-CG2 3.11Å; V144-V148 PolarHBondContact O-N 3.46Å; V148-R151 PolarHBondContact O-N 3.44Å; V148-L152 PolarHBondContact O-N 3.28Å; V148-F257 HydrophobicContact CG1-CD1 4.09Å; V148-F257 HydrophobicContact CG1-CE1 4.36Å
149I86.6Confident84.2Confident3 Ų340.7 Ų40.72%0.01520%0.203CC..Hα-helixtrans-74-38.3-179.3-54.2160.3000111.3L56 I129 V145 L146 D147 R151 L152 M153 I171L56-I149 HydrophobicContact CD2-CD1 4.42Å; L56-I149 HydrophobicContact CD2-CG1 4.14Å; I129-I149 HydrophobicContact CD1-CD1 3.65Å; I129-I149 HydrophobicContact CD1-CG1 4.15Å; I129-I149 HydrophobicContact CD1-CG2 4.05Å; I129-I149 HydrophobicContact CG1-CD1 3.92Å; V145-I149 HydrophobicContact CG1-CD1 3.78Å; V145-I149 WeakPolarHBondContact O-CD1 3.44Å; V145-I149 VanDerWaalsContact O-CG1 3.26Å; V145-I149 WeakPolarHBondContact O-CG1 3.4Å; V145-I149 PolarHBondContact O-N 3.08Å; L146-I149 PolarHBondContact O-N 3.18Å; D147-I149 VanDerWaalsContact C-N 3.32Å; D147-I149 PolarHBondContact O-N 3.07Å; I149-R151 VanDerWaalsContact C-N 3.28Å; I149-R151 PolarHBondContact O-N 2.97Å; I149-L152 WeakPolarHBondContact O-CB 3.37Å; I149-L152 PolarHBondContact O-N 3.3Å; I149-M153 WeakPolarHBondContact O-CG 3.38Å; I149-M153 PolarHBondContact O-N 2.91Å; I149-I171 HydrophobicContact CB-CD1 3.76Å; I149-I171 HydrophobicContact CB-CG1 4.28Å; I149-I171 HydrophobicContact CD1-CD1 4.48Å; I149-I171 HydrophobicContact CD1-CG1 4.07Å; I149-I171 HydrophobicContact CG2-CD1 3.18Å; I149-I171 HydrophobicContact CG2-CG1 3.75Å
150S84.3Confident84.2Confident52 Ų5239.4 Ų39.436%0.36420%0.203SC..Hα-helixtrans-59.8-40173.5-770000111.6L146 D147 M153 Q154L146-S150 WeakPolarHBondContact O-CB 3.27Å; L146-S150 PolarHBondContact O-N 2.69Å; L146-S150 PolarHBondContact O-OG 3.15Å; D147-S150 PolarHBondContact O-N 3.25Å; S150-M153 WeakPolarHBondContact O-CB 3.44Å; S150-M153 PolarHBondContact O-N 3.19Å; S150-Q154 WeakPolarHBondContact O-CG 3.38Å; S150-Q154 PolarHBondContact O-N 3.24Å
151R84.3Confident83.9Confident61 Ų6137.2 Ų37.223%0.2321%0.206CC..Hα-helixtrans-65.6-40.6174.1-162.3169.3-56.4179.84.6112.4D147 V148 I149 M153 Q154 V155 P256 F257D147-R151 WeakPolarHBondContact O-CB 3.29Å; D147-R151 PolarHBondContact O-N 2.9Å; D147-R151 IonicContact OD1-NH2 2.76Å; D147-R151 IonicContact OD2-CZ 3.78Å; D147-R151 IonicContact OD2-NH2 3.73Å; D147-R151 PolarHBondContact OD2-NH2 3.49Å; V148-R151 PolarHBondContact O-N 3.44Å; I149-R151 VanDerWaalsContact C-N 3.28Å; I149-R151 PolarHBondContact O-N 2.97Å; R151-M153 VanDerWaalsContact C-N 3.28Å; R151-M153 PolarHBondContact O-N 3.2Å; R151-Q154 WeakPolarHBondContact O-CB 3.46Å; R151-Q154 PolarHBondContact O-N 3.11Å; R151-V155 PolarHBondContact O-N 3.18Å; R151-P256 WeakPolarHBondContact CD-O 3.38Å; R151-P256 PolarHBondContact NH1-O 3.33Å; R151-F257 HydrophobicContact CB-CE1 4.13Å; R151-F257 HydrophobicContact CG-CE1 4.32Å
152L85.9Confident83.7Confident1 Ų136 Ų361%0.00520%0.203CC..Hα-helixtrans-60.9-37.9172.3178.966.3000111.8W118 V125 V148 I149 V155 G156 L167 F257W118-L152 HydrophobicContact CH2-CD1 4.06Å; W118-L152 HydrophobicContact CH2-CG 4.01Å; W118-L152 VanDerWaalsContact CH2-O 3.27Å; W118-L152 WeakPolarHBondContact CH2-O 3.41Å; W118-L152 HydrophobicContact CZ3-CD1 4.2Å; V125-L152 HydrophobicContact CB-CD2 4.31Å; V125-L152 HydrophobicContact CG1-CD2 3.86Å; V125-L152 HydrophobicContact CG2-CD2 3.91Å; V148-L152 PolarHBondContact O-N 3.28Å; I149-L152 WeakPolarHBondContact O-CB 3.37Å; I149-L152 PolarHBondContact O-N 3.3Å; L152-V155 WeakPolarHBondContact O-CB 3.36Å; L152-V155 PolarHBondContact O-N 3.36Å; L152-G156 PolarHBondContact O-N 3.05Å; L152-L167 HydrophobicContact CD2-CD1 4.19Å; L152-F257 HydrophobicContact CB-CE1 4.11Å; L152-F257 HydrophobicContact CB-CZ 4.04Å; L152-F257 HydrophobicContact CD1-CZ 4.04Å
153M84.4Confident83.3Confident27 Ų2742.7 Ų42.713%0.13323%0.231CC..Hα-helixtrans-66.3-38.4175.9-70.5173.139.700112.8I149 S150 R151 V155 G156 E157 L167 Q168 I171I149-M153 WeakPolarHBondContact O-CG 3.38Å; I149-M153 PolarHBondContact O-N 2.91Å; S150-M153 WeakPolarHBondContact O-CB 3.44Å; S150-M153 PolarHBondContact O-N 3.19Å; R151-M153 VanDerWaalsContact C-N 3.28Å; R151-M153 PolarHBondContact O-N 3.2Å; M153-V155 VanDerWaalsContact C-N 3.35Å; M153-G156 WeakPolarHBondContact O-CA 3.48Å; M153-G156 PolarHBondContact O-N 2.92Å; M153-G156 VanDerWaalsContact O-N 3.15Å; M153-E157 PolarHBondContact O-N 3.19Å; M153-L167 HydrophobicContact CG-CB 4.1Å; M153-L167 HydrophobicContact CG-CD1 4.17Å; M153-L167 HydrophobicContact SD-CB 4.28Å; M153-Q168 HydrophobicContact CE-CG 3.23Å; M153-Q168 HydrophobicContact SD-CG 3.92Å; M153-I171 HydrophobicContact SD-CD1 3.79Å
154Q83.4Confident83.4Confident105 Ų10540.8 Ų40.849%0.49122%0.222SC..Hα-helixtrans-61.1-44.4173.6-69.3169.41.700111S150 R151 G156 E157 E158S150-Q154 WeakPolarHBondContact O-CG 3.38Å; S150-Q154 PolarHBondContact O-N 3.24Å; R151-Q154 WeakPolarHBondContact O-CB 3.46Å; R151-Q154 PolarHBondContact O-N 3.11Å; Q154-G156 VanDerWaalsContact C-N 3.25Å; Q154-G156 PolarHBondContact O-N 3.38Å; Q154-E157 WeakPolarHBondContact O-CB 3.45Å; Q154-E157 PolarHBondContact O-N 2.95Å; Q154-E157 VanDerWaalsContact O-N 3.12Å; Q154-E158 PolarHBondContact O-N 3.41Å
155V84.8Confident83.5Confident0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-54.9-42.2171.8160.80000111.6W64 M67 R151 L152 M153 E158 F159 L246W64-V155 HydrophobicContact CE3-CB 4.4Å; W64-V155 HydrophobicContact CE3-CG1 3.6Å; W64-V155 HydrophobicContact CE3-CG2 3.89Å; W64-V155 HydrophobicContact CZ3-CB 4.25Å; W64-V155 HydrophobicContact CZ3-CG1 3.64Å; W64-V155 HydrophobicContact CZ3-CG2 3.7Å; M67-V155 HydrophobicContact CE-CG1 3.77Å; M67-V155 HydrophobicContact SD-CG1 4.29Å; R151-V155 PolarHBondContact O-N 3.18Å; L152-V155 WeakPolarHBondContact O-CB 3.36Å; L152-V155 PolarHBondContact O-N 3.36Å; M153-V155 VanDerWaalsContact C-N 3.35Å; V155-E158 PolarHBondContact O-N 3.35Å; V155-F159 VanDerWaalsContact O-CB 3.23Å; V155-F159 WeakPolarHBondContact O-CB 3.5Å; V155-F159 PolarHBondContact O-N 3.18Å; V155-L246 HydrophobicContact CG2-CD1 4.27Å
156G82.2Confident83.6Confident0 Ų047.8 Ų47.80%026%0.255CS..Hα-helixtrans-64.8-38.7176.200000114.8L152 M153 Q154 F159 C160L152-G156 PolarHBondContact O-N 3.05Å; M153-G156 WeakPolarHBondContact O-CA 3.48Å; M153-G156 PolarHBondContact O-N 2.92Å; M153-G156 VanDerWaalsContact O-N 3.15Å; Q154-G156 VanDerWaalsContact C-N 3.25Å; Q154-G156 PolarHBondContact O-N 3.38Å; G156-F159 PolarHBondContact O-N 3.08Å; G156-C160 PolarHBondContact O-N 2.9Å; G156-C160 VanDerWaalsContact O-N 3.16Å; G156-C160 PolarHBondContact O-SG 3.36Å
157E85.3Confident83.7Confident110 Ų11047.1 Ų47.151%0.51425%0.251SS..Hα-helixtrans-65.2-43.4176.2-175165.8-163.900110.7M153 Q154 G161 S162M153-E157 PolarHBondContact O-N 3.19Å; Q154-E157 WeakPolarHBondContact O-CB 3.45Å; Q154-E157 PolarHBondContact O-N 2.95Å; Q154-E157 VanDerWaalsContact O-N 3.12Å; E157-G161 WeakPolarHBondContact O-CA 3.22Å; E157-G161 PolarHBondContact O-N 2.92Å; E157-S162 WeakPolarHBondContact CA-O 3.49Å
158E81.3Confident83.8Confident86 Ų8648.5 Ų48.540%0.40226%0.255SS..Hα-helixtrans-68.8-36.3174.7-69.3-166.6-168.900113.3Q154 V155 L246 F247Q154-E158 PolarHBondContact O-N 3.41Å; V155-E158 PolarHBondContact O-N 3.35Å; E158-L246 WeakPolarHBondContact OE1-CD1 3.46Å; E158-L246 VanDerWaalsContact OE1-CG 3.29Å; E158-L246 WeakPolarHBondContact OE1-CG 3.33Å; E158-L246 WeakPolarHBondContact OE2-CB 3.35Å; E158-L246 PolarHBondContact OE2-N 3.3Å; E158-F247 HydrophobicContact CB-CD2 4.19Å; E158-F247 HydrophobicContact CB-CE2 4.11Å
159F80.7Confident83.9Confident9 Ų954.4 Ų54.44%0.03928%0.283CS..Hα-helixtrans-72.1-37.4-175.4-176.1-106.8000113.5M67 Y70 H71 L114 I117 W118 V155 G156 F247M67-F159 HydrophobicContact CB-CD2 4.37Å; M67-F159 HydrophobicContact CB-CE2 4.04Å; M67-F159 HydrophobicContact CB-CZ 4.33Å; M67-F159 HydrophobicContact CE-CB 3.57Å; M67-F159 HydrophobicContact CE-CD1 3.56Å; M67-F159 HydrophobicContact CE-CD2 3.79Å; M67-F159 HydrophobicContact CE-CE1 4.1Å; M67-F159 HydrophobicContact CE-CE2 4.31Å; M67-F159 HydrophobicContact CE-CG 3.36Å; M67-F159 HydrophobicContact CE-CZ 4.43Å; M67-F159 HydrophobicContact CG-CZ 4.47Å; M67-F159 WeakPolarHBondContact O-CE2 3.42Å; Y70-F159 HydrophobicContact CD1-CE2 4.34Å; Y70-F159 AromaticContact CD1-CZ 3.77Å; Y70-F159 HydrophobicContact CD1-CZ 3.77Å; Y70-F159 HydrophobicContact CG-CZ 4.43Å; H71-F159 HydrophobicContact CB-CE2 4.4Å; L114-F159 HydrophobicContact CB-CD1 4.5Å; L114-F159 HydrophobicContact CB-CE1 4.18Å; L114-F159 HydrophobicContact CD2-CD1 4.11Å; L114-F159 HydrophobicContact CD2-CD2 4.14Å; L114-F159 HydrophobicContact CD2-CE1 3.62Å; L114-F159 HydrophobicContact CD2-CE2 3.65Å; L114-F159 HydrophobicContact CD2-CG 4.37Å; L114-F159 HydrophobicContact CD2-CZ 3.39Å; L114-F159 WeakPolarHBondContact O-CE1 3.36Å; I117-F159 HydrophobicContact CB-CE1 4.4Å; I117-F159 HydrophobicContact CG2-CE1 4.08Å; I117-F159 HydrophobicContact CG2-CZ 4.19Å; W118-F159 HydrophobicContact CB-CD1 4.34Å; V155-F159 VanDerWaalsContact O-CB 3.23Å; V155-F159 WeakPolarHBondContact O-CB 3.5Å; V155-F159 PolarHBondContact O-N 3.18Å; G156-F159 PolarHBondContact O-N 3.08Å; F159-F247 HydrophobicContact CB-CE2 4.12Å; F159-F247 HydrophobicContact CB-CZ 4.09Å; F159-F247 HydrophobicContact CD2-CE1 4.24Å; F159-F247 HydrophobicContact CD2-CE2 4.39Å; F159-F247 AromaticContact CD2-CZ 3.7Å; F159-F247 HydrophobicContact CD2-CZ 3.7Å; F159-F247 HydrophobicContact CG-CZ 4.36Å
160C80.3Confident84Confident34 Ų3454.5 Ų54.523%0.2328%0.283CS..Hα-helixtrans-143.88.4-174.267.60000115.1L114 W118 G156 S162L114-C160 HydrophobicContact CB-CB 3.97Å; W118-C160 VanDerWaalsContact CG-SG 3.59Å; G156-C160 PolarHBondContact O-N 2.9Å; G156-C160 VanDerWaalsContact O-N 3.16Å; G156-C160 PolarHBondContact O-SG 3.36Å; C160-S162 PolarHBondContact O-N 2.95Å; C160-S162 WeakPolarHBondContact SG-CB 3.33Å
161G76.8Confident84.2Confident63 Ų6353 Ų5365%0.64927%0.271SS*.SBendtrans69.914.2-175.900000113.9E157E157-G161 WeakPolarHBondContact O-CA 3.22Å; E157-G161 PolarHBondContact O-N 2.92Å
162S81.6Confident84.3Confident38 Ų3854.7 Ų54.727%0.26628%0.28SS..  trans-85.8131.4-176.8-177.40000111.8E157 C160 S164E157-S162 WeakPolarHBondContact CA-O 3.49Å; C160-S162 PolarHBondContact O-N 2.95Å; C160-S162 WeakPolarHBondContact SG-CB 3.33Å; S162-S164 PolarHBondContact O-N 3.26Å; S162-S164 PolarHBondContact O-OG 3.38Å; S162-S164 PolarHBondContact OG-N 3.05Å
163K77.9Confident84.4Confident142 Ų14262.9 Ų62.962%0.61731%0.311SS*.  trans-72.5-2.4172.9-62.9-171.3177.7-175.50114.4E165 Q168K163-E165 PolarHBondContact O-N 3.04Å; K163-Q168 PolarHBondContact O-NE2 2.67Å
164S86.9Confident84.6Confident0 Ų062.3 Ų62.30%031%0.308CS..  trans60.144.6174-540000115.4W118 Q122 S162 V166 L167 Q168W118-S164 VanDerWaalsContact CZ2-OG 3.22Å; W118-S164 WeakPolarHBondContact CZ2-OG 3.3Å; W118-S164 PolarHBondContact NE1-OG 2.81Å; W118-S164 VanDerWaalsContact NE1-OG 3.14Å; Q122-S164 VanDerWaalsContact NE2-CA 3.32Å; Q122-S164 PolarHBondContact NE2-OG 2.9Å; S162-S164 PolarHBondContact O-N 3.26Å; S162-S164 PolarHBondContact O-OG 3.38Å; S162-S164 PolarHBondContact OG-N 3.05Å; S164-V166 PolarHBondContact O-N 3.21Å; S164-V166 VanDerWaalsContact O-N 3.15Å; S164-L167 PolarHBondContact O-N 3.29Å; S164-Q168 PolarHBondContact O-N 3.42Å
165E86.2Confident84.8Confident145 Ų14557.4 Ų57.468%0.67829%0.286SS*.Hα-helixtrans-52.5-38-176.7-61.8-177.3177.600113.4K163 L167 Q168 E169K163-E165 PolarHBondContact O-N 3.04Å; E165-L167 PolarHBondContact O-N 2.99Å; E165-Q168 PolarHBondContact O-N 3.15Å; E165-E169 WeakPolarHBondContact O-CB 3.37Å; E165-E169 PolarHBondContact O-N 2.9Å
166V88.3Confident85.1Confident41 Ų4159.1 Ų59.125%0.24830%0.296CS..Hα-helixtrans-63.3-41179.8179.50000112Q122 K126 S164 S170Q122-V166 HydrophobicContact CB-CB 4.45Å; K126-V166 HydrophobicContact CB-CG1 4.31Å; K126-V166 HydrophobicContact CD-CG1 3.48Å; K126-V166 VanDerWaalsContact CD-CG1 3.48Å; K126-V166 HydrophobicContact CG-CG1 4.49Å; S164-V166 PolarHBondContact O-N 3.21Å; S164-V166 VanDerWaalsContact O-N 3.15Å; V166-S170 WeakPolarHBondContact O-CB 3.34Å; V166-S170 PolarHBondContact O-N 3.32Å; V166-S170 PolarHBondContact O-OG 2.94Å
167L86.8Confident85.4Confident0 Ų062 Ų620%031%0.312CS..Hα-helixtrans-75.8-40177.3-66.6178.3000110.7W118 Q122 V125 I129 L152 M153 S164 E165 E169 S170 I171W118-L167 HydrophobicContact CH2-CD1 4.38Å; W118-L167 HydrophobicContact CZ2-CD1 4.2Å; Q122-L167 HydrophobicContact CB-CG 4.32Å; Q122-L167 HydrophobicContact CG-CD1 4.03Å; Q122-L167 HydrophobicContact CG-CG 4.04Å; V125-L167 HydrophobicContact CB-CD2 4.02Å; V125-L167 HydrophobicContact CG1-CD2 3.85Å; I129-L167 HydrophobicContact CD1-CD2 4.24Å; L152-L167 HydrophobicContact CD2-CD1 4.19Å; M153-L167 HydrophobicContact CG-CB 4.1Å; M153-L167 HydrophobicContact CG-CD1 4.17Å; M153-L167 HydrophobicContact SD-CB 4.28Å; S164-L167 PolarHBondContact O-N 3.29Å; E165-L167 PolarHBondContact O-N 2.99Å; L167-E169 VanDerWaalsContact C-N 3.34Å; L167-E169 PolarHBondContact O-N 3.46Å; L167-S170 PolarHBondContact O-N 2.86Å; L167-S170 VanDerWaalsContact O-N 3.17Å; L167-I171 VanDerWaalsContact O-CG1 3.32Å; L167-I171 WeakPolarHBondContact O-CG1 3.39Å; L167-I171 PolarHBondContact O-N 3.18Å
168Q86Confident85.6Confident93 Ų9357 Ų5744%0.43529%0.288SS..Hα-helixtrans-55.8-46.9173.8-73.3-175.1-6.400112.1M153 K163 S164 E165 K172M153-Q168 HydrophobicContact CE-CG 3.23Å; M153-Q168 HydrophobicContact SD-CG 3.92Å; K163-Q168 PolarHBondContact O-NE2 2.67Å; S164-Q168 PolarHBondContact O-N 3.42Å; E165-Q168 PolarHBondContact O-N 3.15Å; Q168-K172 WeakPolarHBondContact O-CB 3.35Å; Q168-K172 PolarHBondContact O-N 3.04Å
169E87.8Confident86.1Confident133 Ų13353 Ų5362%0.62127%0.269SS*.Hα-helixtrans-64.6-40.5177.5-172-177.7-165.900111.7E165 L167 K172 R173E165-E169 WeakPolarHBondContact O-CB 3.37Å; E165-E169 PolarHBondContact O-N 2.9Å; L167-E169 VanDerWaalsContact C-N 3.34Å; L167-E169 PolarHBondContact O-N 3.46Å; E169-K172 PolarHBondContact O-N 3.18Å; E169-R173 WeakPolarHBondContact O-CB 3.45Å; E169-R173 PolarHBondContact O-N 3.49Å
170S88.4Confident86.5Confident4 Ų457 Ų573%0.02829%0.287CS..Hα-helixtrans-66.4-45.7-179.5-56.80000111.8K126 V166 L167 R173 Q174K126-S170 WeakPolarHBondContact CG-OG 3.09Å; V166-S170 WeakPolarHBondContact O-CB 3.34Å; V166-S170 PolarHBondContact O-N 3.32Å; V166-S170 PolarHBondContact O-OG 2.94Å; L167-S170 PolarHBondContact O-N 2.86Å; L167-S170 VanDerWaalsContact O-N 3.17Å; S170-R173 PolarHBondContact O-N 3.5Å; S170-Q174 PolarHBondContact O-N 3.03Å; S170-Q174 VanDerWaalsContact O-N 3.08Å
171I88.1Confident86.9Confident21 Ų2158.3 Ų58.311%0.10829%0.291CS..Hα-helixtrans-63.8-45.2174.4-66.8165.6000110.5L146 I149 M153 L167 R173 Q174 S175L146-I171 HydrophobicContact CD2-CG2 3.38Å; I149-I171 HydrophobicContact CB-CD1 3.76Å; I149-I171 HydrophobicContact CB-CG1 4.28Å; I149-I171 HydrophobicContact CD1-CD1 4.48Å; I149-I171 HydrophobicContact CD1-CG1 4.07Å; I149-I171 HydrophobicContact CG2-CD1 3.18Å; I149-I171 HydrophobicContact CG2-CG1 3.75Å; M153-I171 HydrophobicContact SD-CD1 3.79Å; L167-I171 VanDerWaalsContact O-CG1 3.32Å; L167-I171 WeakPolarHBondContact O-CG1 3.39Å; L167-I171 PolarHBondContact O-N 3.18Å; I171-R173 VanDerWaalsContact C-N 3.3Å; I171-R173 PolarHBondContact O-N 3.3Å; I171-Q174 PolarHBondContact O-N 3.33Å; I171-S175 WeakPolarHBondContact O-CB 3.36Å; I171-S175 PolarHBondContact O-N 2.97Å; I171-S175 PolarHBondContact O-OG 3.44Å
172K87.5Confident87.6Confident97 Ų9756.8 Ų56.842%0.42227%0.266SS..Hα-helixtrans-57.1-47.1178.3-176.7-179.1179.9177.80110.3Q168 E169 Q174 S175 V176 P363 I364Q168-K172 WeakPolarHBondContact O-CB 3.35Å; Q168-K172 PolarHBondContact O-N 3.04Å; E169-K172 PolarHBondContact O-N 3.18Å; K172-Q174 PolarHBondContact O-N 3.25Å; K172-S175 PolarHBondContact O-N 3.16Å; K172-V176 WeakPolarHBondContact O-CG2 3.35Å; K172-V176 PolarHBondContact O-N 3.26Å; K172-P363 HydrophobicContact CD-CB 4.12Å; K172-P363 VanDerWaalsContact CE-O 3.31Å; K172-P363 WeakPolarHBondContact CE-O 3.44Å; K172-P363 HydrophobicContact CG-CB 4.13Å; K172-I364 HydrophobicContact CG-CG2 3.97Å
173R88.2Confident88.1Confident172 Ų17255.4 Ų55.465%0.64926%0.255SS*.Hα-helixtrans-59.8-45.6177.9-176.8178.7171.2-164.6-4112.2E169 S170 I171 N177E169-R173 WeakPolarHBondContact O-CB 3.45Å; E169-R173 PolarHBondContact O-N 3.49Å; S170-R173 PolarHBondContact O-N 3.5Å; I171-R173 VanDerWaalsContact C-N 3.3Å; I171-R173 PolarHBondContact O-N 3.3Å; R173-N177 PolarHBondContact O-N 2.99Å; R173-N177 VanDerWaalsContact O-N 3.13Å
174Q87.4Confident88.7Confident15 Ų1554.7 Ų54.77%0.0725%0.249CC..Hα-helixtrans-65.8-38.4176.1-74.5-65.75.700112.2I129 L130 T132 M134 S170 I171 K172 N177 Y178I129-Q174 HydrophobicContact CG2-CG 3.7Å; I129-Q174 PolarHBondContact O-NE2 3.37Å; L130-Q174 HydrophobicContact CD2-CG 4.46Å; T132-Q174 PolarHBondContact O-NE2 3.14Å; T132-Q174 VanDerWaalsContact O-NE2 3.16Å; M134-Q174 HydrophobicContact CE-CG 4.32Å; M134-Q174 HydrophobicContact SD-CB 4.06Å; M134-Q174 HydrophobicContact SD-CG 4.07Å; S170-Q174 PolarHBondContact O-N 3.03Å; S170-Q174 VanDerWaalsContact O-N 3.08Å; I171-Q174 PolarHBondContact O-N 3.33Å; K172-Q174 PolarHBondContact O-N 3.25Å; Q174-N177 PolarHBondContact O-N 3.48Å; Q174-Y178 WeakPolarHBondContact O-CB 3.47Å; Q174-Y178 PolarHBondContact O-N 2.87Å
175S89.3Confident88.9Confident3 Ų357.6 Ų57.62%0.02127%0.272CS..Hα-helixtrans-64.2-42.1177.9-560000112.2I171 K172 F179 L361I171-S175 WeakPolarHBondContact O-CB 3.36Å; I171-S175 PolarHBondContact O-N 2.97Å; I171-S175 PolarHBondContact O-OG 3.44Å; K172-S175 PolarHBondContact O-N 3.16Å; S175-F179 WeakPolarHBondContact O-CB 3.5Å; S175-F179 PolarHBondContact O-N 3.37Å; S175-L361 WeakPolarHBondContact OG-CD2 3.11Å
176V89.6Confident89.2Confident36 Ų3654.4 Ų54.422%0.21825%0.254CS..Hα-helixtrans-61.2-46.9172.8175.80000110.3K172 F179 K180 I364K172-V176 WeakPolarHBondContact O-CG2 3.35Å; K172-V176 PolarHBondContact O-N 3.26Å; V176-F179 PolarHBondContact O-N 3.15Å; V176-K180 HydrophobicContact CG1-CD 4.18Å; V176-K180 HydrophobicContact CG1-CG 4.32Å; V176-K180 WeakPolarHBondContact O-CB 3.35Å; V176-K180 WeakPolarHBondContact O-CG 3.27Å; V176-K180 PolarHBondContact O-N 3.48Å; V176-I364 HydrophobicContact CG2-CB 4.32Å; V176-I364 HydrophobicContact CG2-CG2 3.4Å; V176-I364 VanDerWaalsContact CG2-CG2 3.4Å
177N89.1Confident89.4Confident61 Ų6152.6 Ų52.633%0.32624%0.243SC..Hα-helixtrans-63.8-48.8-178.3-172.639.6000112.1D133 S135 R173 Q174 F179 K180 N181D133-N177 PolarHBondContact OD1-ND2 3.45Å; S135-N177 PolarHBondContact OG-ND2 3Å; S135-N177 VanDerWaalsContact OG-ND2 3.14Å; R173-N177 PolarHBondContact O-N 2.99Å; R173-N177 VanDerWaalsContact O-N 3.13Å; Q174-N177 PolarHBondContact O-N 3.48Å; N177-F179 PolarHBondContact O-N 3.48Å; N177-K180 PolarHBondContact O-N 3.42Å; N177-N181 PolarHBondContact O-N 3.41Å; N177-N181 VanDerWaalsContact O-N 3.08Å; N177-N181 PolarHBondContact O-ND2 3.16Å; N177-N181 PolarHBondContact OD1-ND2 3.33Å
178Y90.1Very high89.6Confident4 Ų455.6 Ų55.62%0.01626%0.257CS..Hα-helixtrans-54.1-53.4174.3177-99.6000111M134 F137 Y139 F142 Q174 K180 N181 Y182M134-Y178 VanDerWaalsContact O-CD2 3.24Å; M134-Y178 WeakPolarHBondContact O-CD2 3.38Å; F137-Y178 HydrophobicContact CB-CE2 4.15Å; F137-Y178 WeakPolarHBondContact O-CE2 3.47Å; F137-Y178 PolarHBondContact O-OH 2.99Å; Y139-Y178 WeakPolarHBondContact CA-OH 3.48Å; F142-Y178 HydrophobicContact CB-CE1 4.34Å; F142-Y178 HydrophobicContact CB-CE2 4.11Å; F142-Y178 AromaticContact CD1-CD1 3.57Å; F142-Y178 HydrophobicContact CD1-CD1 3.57Å; F142-Y178 HydrophobicContact CD1-CD2 4.46Å; F142-Y178 AromaticContact CD1-CE1 3.67Å; F142-Y178 HydrophobicContact CD1-CE1 3.67Å; F142-Y178 AromaticContact CD1-CG 4Å; F142-Y178 HydrophobicContact CD1-CG 4Å; F142-Y178 HydrophobicContact CD2-CD1 4.45Å; F142-Y178 AromaticContact CD2-CD2 3.99Å; F142-Y178 HydrophobicContact CD2-CD2 3.99Å; F142-Y178 HydrophobicContact CD2-CE2 4.34Å; F142-Y178 HydrophobicContact CD2-CG 4.04Å; F142-Y178 AromaticContact CE1-CD1 3.61Å; F142-Y178 HydrophobicContact CE1-CD1 3.61Å; F142-Y178 HydrophobicContact CE1-CE1 4.18Å; F142-Y178 AromaticContact CE1-CG 3.94Å; F142-Y178 HydrophobicContact CE1-CG 3.94Å; F142-Y178 HydrophobicContact CE2-CD1 4.49Å; F142-Y178 HydrophobicContact CE2-CD2 4.32Å; F142-Y178 AromaticContact CE2-CG 4Å; F142-Y178 HydrophobicContact CE2-CG 4Å; F142-Y178 HydrophobicContact CG-CD1 4.02Å; F142-Y178 HydrophobicContact CG-CD2 4.09Å; F142-Y178 HydrophobicContact CG-CE1 4.02Å; F142-Y178 HydrophobicContact CG-CE2 4.08Å; F142-Y178 HydrophobicContact CG-CG 4.05Å; F142-Y178 HydrophobicContact CZ-CD1 4.11Å; F142-Y178 AromaticContact CZ-CG 3.96Å; F142-Y178 HydrophobicContact CZ-CG 3.96Å; Q174-Y178 WeakPolarHBondContact O-CB 3.47Å; Q174-Y178 PolarHBondContact O-N 2.87Å; Y178-K180 PolarHBondContact O-N 3.24Å; Y178-N181 PolarHBondContact O-N 3.3Å; Y178-Y182 WeakPolarHBondContact O-CB 3.41Å; Y178-Y182 PolarHBondContact O-N 3.39Å
179F90.5Very high89.9Confident2 Ų253.8 Ų53.81%0.00925%0.249CC..Hα-helixtrans-66.5-38.5-175.8-170.3-92000112.4S175 V176 N177 Y182 H183 Y354 M357 I364 V368 C371S175-F179 WeakPolarHBondContact O-CB 3.5Å; S175-F179 PolarHBondContact O-N 3.37Å; V176-F179 PolarHBondContact O-N 3.15Å; N177-F179 PolarHBondContact O-N 3.48Å; F179-Y182 PolarHBondContact O-N 3.02Å; F179-H183 HydrophobicContact CE1-CB 4.38Å; F179-H183 VanDerWaalsContact O-CB 3.28Å; F179-H183 WeakPolarHBondContact O-CB 3.26Å; F179-H183 PolarHBondContact O-N 3Å; F179-Y354 HydrophobicContact CE1-CE2 4.48Å; F179-Y354 HydrophobicContact CE2-CD1 4.18Å; F179-Y354 HydrophobicContact CE2-CD2 4.45Å; F179-Y354 HydrophobicContact CE2-CE1 4.41Å; F179-Y354 HydrophobicContact CE2-CG 4.22Å; F179-Y354 HydrophobicContact CZ-CD1 4.16Å; F179-Y354 AromaticContact CZ-CD2 3.66Å; F179-Y354 HydrophobicContact CZ-CD2 3.66Å; F179-Y354 HydrophobicContact CZ-CE1 4.29Å; F179-Y354 AromaticContact CZ-CE2 3.82Å; F179-Y354 HydrophobicContact CZ-CE2 3.82Å; F179-Y354 AromaticContact CZ-CG 3.85Å; F179-Y354 HydrophobicContact CZ-CG 3.85Å; F179-M357 HydrophobicContact CD2-SD 3.92Å; F179-M357 HydrophobicContact CE2-CB 4.37Å; F179-M357 HydrophobicContact CE2-SD 3.8Å; F179-I364 HydrophobicContact CB-CD1 4.1Å; F179-I364 HydrophobicContact CG-CD1 4.38Å; F179-V368 HydrophobicContact CD1-CG2 4.15Å; F179-V368 HydrophobicContact CD2-CG2 4.17Å; F179-V368 HydrophobicContact CE1-CB 4.14Å; F179-V368 HydrophobicContact CE1-CG1 4.29Å; F179-V368 HydrophobicContact CE1-CG2 3.89Å; F179-V368 HydrophobicContact CE2-CG1 4.12Å; F179-V368 HydrophobicContact CE2-CG2 3.9Å; F179-V368 HydrophobicContact CG-CG2 4.29Å; F179-V368 HydrophobicContact CZ-CB 3.97Å; F179-V368 HydrophobicContact CZ-CG1 3.65Å; F179-V368 HydrophobicContact CZ-CG2 3.77Å; F179-C371 HydrophobicContact CE1-CB 3.65Å; F179-C371 HydrophobicContact CZ-CB 4.25Å
180K89.6Confident90.3Very high94 Ų9447.8 Ų47.841%0.40922%0.221SC..Hα-helixtrans-60.1-45.7174.3-81.5-170.2170.4-1540111.9V176 N177 Y178 H183 R184 E463V176-K180 HydrophobicContact CG1-CD 4.18Å; V176-K180 HydrophobicContact CG1-CG 4.32Å; V176-K180 WeakPolarHBondContact O-CB 3.35Å; V176-K180 WeakPolarHBondContact O-CG 3.27Å; V176-K180 PolarHBondContact O-N 3.48Å; N177-K180 PolarHBondContact O-N 3.42Å; Y178-K180 PolarHBondContact O-N 3.24Å; K180-H183 PolarHBondContact O-N 2.94Å; K180-R184 WeakPolarHBondContact O-CB 3.24Å; K180-R184 PolarHBondContact O-N 3.29Å; K180-E463 IonicContact NZ-OE1 2.69Å; K180-E463 PolarHBondContact NZ-OE1 2.97Å
181N89.4Confident90.6Very high60 Ų6049.7 Ų49.732%0.32123%0.228SC..Hα-helixtrans-69.1-41.3178.8-74.1-30.5000111.9S135 N177 Y178 H183 R184 A185S135-N181 WeakPolarHBondContact CB-ND2 3.45Å; S135-N181 PolarHBondContact OG-ND2 3.45Å; N177-N181 PolarHBondContact O-N 3.41Å; N177-N181 VanDerWaalsContact O-N 3.08Å; N177-N181 PolarHBondContact O-ND2 3.16Å; N177-N181 PolarHBondContact OD1-ND2 3.33Å; Y178-N181 PolarHBondContact O-N 3.3Å; N181-H183 PolarHBondContact O-N 3.26Å; N181-R184 PolarHBondContact O-N 3.06Å; N181-A185 PolarHBondContact O-N 3.12Å
182Y90.2Very high90.7Very high32 Ų3253 Ų5313%0.12524%0.244CC..Hα-helixtrans-58.8-46.6172.6-176.3-104.8000111.7Y178 F179 A185 R186 Y354 M357Y178-Y182 WeakPolarHBondContact O-CB 3.41Å; Y178-Y182 PolarHBondContact O-N 3.39Å; F179-Y182 PolarHBondContact O-N 3.02Å; Y182-A185 PolarHBondContact O-N 3.16Å; Y182-R186 HydrophobicContact CD1-CG 4.42Å; Y182-R186 HydrophobicContact CE1-CG 4.11Å; Y182-R186 HydrophobicContact CE2-CG 4.41Å; Y182-R186 VanDerWaalsContact O-CG 3.29Å; Y182-R186 WeakPolarHBondContact O-CG 3.46Å; Y182-R186 PolarHBondContact O-N 3.22Å; Y182-R186 VanDerWaalsContact O-N 3.09Å; Y182-R186 PolarHBondContact OH-NE 3.42Å; Y182-Y354 HydrophobicContact CD1-CE1 4.02Å; Y182-Y354 HydrophobicContact CE1-CD1 4.34Å; Y182-Y354 AromaticContact CE1-CE1 3.69Å; Y182-Y354 HydrophobicContact CE1-CE1 3.69Å; Y182-M357 HydrophobicContact CD1-CE 4Å; Y182-M357 HydrophobicContact CD1-SD 4.18Å; Y182-M357 HydrophobicContact CE1-CE 3.39Å; Y182-M357 HydrophobicContact CE1-SD 4.06Å; Y182-M357 HydrophobicContact CE2-CE 4.47Å
183H92.6Very high91Very high9 Ų952 Ų524%0.04224%0.24CC..Hα-helixtrans-62.6-44.9177.6177.457.4000112.1F179 K180 N181 A185 R186 L187 Y354 C371 Q374F179-H183 HydrophobicContact CE1-CB 4.38Å; F179-H183 VanDerWaalsContact O-CB 3.28Å; F179-H183 WeakPolarHBondContact O-CB 3.26Å; F179-H183 PolarHBondContact O-N 3Å; K180-H183 PolarHBondContact O-N 2.94Å; N181-H183 PolarHBondContact O-N 3.26Å; H183-A185 VanDerWaalsContact C-N 3.34Å; H183-A185 PolarHBondContact O-N 3.07Å; H183-R186 CarbonylContact O-C 3.59Å; H183-R186 PolarHBondContact O-N 3.23Å; H183-R186 VanDerWaalsContact O-N 3.14Å; H183-L187 WeakPolarHBondContact O-CB 3Å; H183-L187 PolarHBondContact O-N 2.87Å; H183-Y354 WeakPolarHBondContact CA-OH 3.38Å; H183-Y354 AromaticContact ND1-CE2 3.47Å; H183-Y354 WeakPolarHBondContact ND1-CE2 3.34Å; H183-Y354 AromaticContact ND1-CZ 3.57Å; H183-Y354 PolarHBondContact ND1-OH 2.97Å; H183-C371 HydrophobicContact CB-CB 4.31Å; H183-C371 PolarHBondContact CD2-SG 3.14Å; H183-C371 PolarHBondContact CE1-O 3.48Å; H183-C371 VanDerWaalsContact CE1-O 3.31Å; H183-C371 VanDerWaalsContact CG-SG 3.58Å; H183-Q374 PolarHBondContact NE2-OE1 3.35Å; H183-Q374 VanDerWaalsContact NE2-OE1 3.1Å
184R90.9Very high91.3Very high127 Ų12743.9 Ų43.948%0.47921%0.209SC..Hα-helixtrans-57.7-45.9177.6-174178.7-177.4-163.6-0.2112.1K180 N181 R186 L187 E188 K462K180-R184 WeakPolarHBondContact O-CB 3.24Å; K180-R184 PolarHBondContact O-N 3.29Å; N181-R184 PolarHBondContact O-N 3.06Å; R184-R186 VanDerWaalsContact C-N 3.33Å; R184-R186 PolarHBondContact O-N 3.17Å; R184-L187 PolarHBondContact O-N 3.12Å; R184-E188 PolarHBondContact O-N 3.49Å; R184-K462 VanDerWaalsContact CZ-O 3.28Å; R184-K462 PolarHBondContact NE-O 3.06Å
185A90.6Very high91.5Very high60 Ų6044.9 Ų44.950%0.49621%0.214SC..Hα-helixtrans-60.8-42.3176.400000111.9N181 Y182 H183 E188 E189N181-A185 PolarHBondContact O-N 3.12Å; Y182-A185 PolarHBondContact O-N 3.16Å; H183-A185 VanDerWaalsContact C-N 3.34Å; H183-A185 PolarHBondContact O-N 3.07Å; A185-E188 PolarHBondContact O-N 3.24Å; A185-E189 WeakPolarHBondContact O-CB 3.36Å; A185-E189 PolarHBondContact O-N 2.92Å
186R92.1Very high91.7Very high78 Ų7850.3 Ų50.329%0.29424%0.242SC..Hα-helixtrans-72.5-31.4179.4-65-63.2179.8-167-4113.7Y182 H183 R184 E189 L190 L350Y182-R186 HydrophobicContact CD1-CG 4.42Å; Y182-R186 HydrophobicContact CE1-CG 4.11Å; Y182-R186 HydrophobicContact CE2-CG 4.41Å; Y182-R186 VanDerWaalsContact O-CG 3.29Å; Y182-R186 WeakPolarHBondContact O-CG 3.46Å; Y182-R186 PolarHBondContact O-N 3.22Å; Y182-R186 VanDerWaalsContact O-N 3.09Å; Y182-R186 PolarHBondContact OH-NE 3.42Å; H183-R186 CarbonylContact O-C 3.59Å; H183-R186 PolarHBondContact O-N 3.23Å; H183-R186 VanDerWaalsContact O-N 3.14Å; R184-R186 VanDerWaalsContact C-N 3.33Å; R184-R186 PolarHBondContact O-N 3.17Å; R186-E189 WeakPolarHBondContact CD-OE2 3.46Å; R186-E189 IonicContact CZ-OE2 3.3Å; R186-E189 IonicContact NE-OE2 3.91Å; R186-E189 IonicContact NH1-OE1 2.78Å; R186-E189 IonicContact NH1-OE2 2.72Å; R186-E189 PolarHBondContact NH1-OE2 2.9Å; R186-E189 PolarHBondContact O-N 3.41Å; R186-L190 WeakPolarHBondContact O-CB 3.48Å; R186-L190 PolarHBondContact O-N 3.19Å; R186-L350 HydrophobicContact CB-CD1 4.2Å; R186-L350 HydrophobicContact CB-CD2 3.82Å; R186-L350 HydrophobicContact CG-CD1 3.93Å; R186-L350 HydrophobicContact CG-CD2 4.45Å
187L93Very high91.8Very high4 Ų449.5 Ų49.52%0.02124%0.236CC..Hα-helixtrans-72.2-36.3175.7-167.963.4000111H183 R184 L190 R191 L375 Y378 L442 V465H183-L187 WeakPolarHBondContact O-CB 3Å; H183-L187 PolarHBondContact O-N 2.87Å; R184-L187 PolarHBondContact O-N 3.12Å; L187-L190 HydrophobicContact CD1-CD2 4.29Å; L187-L190 PolarHBondContact O-N 3.38Å; L187-R191 PolarHBondContact O-N 3.17Å; L187-L375 HydrophobicContact CD1-CD2 3.95Å; L187-Y378 HydrophobicContact CD1-CG 4.21Å; L187-L442 HydrophobicContact CD2-CD1 4.13Å; L187-V465 HydrophobicContact CB-CG2 4.45Å; L187-V465 HydrophobicContact CD2-CB 4.39Å; L187-V465 HydrophobicContact CD2-CG2 3.32Å; L187-V465 HydrophobicContact CG-CG2 3.74Å
188E91.4Very high92Very high62 Ų6248.8 Ų48.829%0.2923%0.234SC..Hα-helixtrans-66.7-40.1170.7-171.259.6-151.800111.8R184 A185 R191 M192R184-E188 PolarHBondContact O-N 3.49Å; A185-E188 PolarHBondContact O-N 3.24Å; E188-R191 WeakPolarHBondContact O-CB 3.4Å; E188-R191 PolarHBondContact O-N 3.13Å; E188-R191 IonicContact OE1-CZ 3.84Å; E188-R191 IonicContact OE1-NH1 3.77Å; E188-R191 PolarHBondContact OE1-NH1 3.31Å; E188-R191 IonicContact OE2-NH1 2.82Å; E188-M192 WeakPolarHBondContact O-CG 3.36Å; E188-M192 PolarHBondContact O-N 3.33Å
189E93.3Very high92.1Very high56 Ų5648.9 Ų48.926%0.26223%0.234SC..Hα-helixtrans-61.1-44172.4-174-176.7-16700112.1A185 R186 R191 M192 F193A185-E189 WeakPolarHBondContact O-CB 3.36Å; A185-E189 PolarHBondContact O-N 2.92Å; R186-E189 WeakPolarHBondContact CD-OE2 3.46Å; R186-E189 IonicContact CZ-OE2 3.3Å; R186-E189 IonicContact NE-OE2 3.91Å; R186-E189 IonicContact NH1-OE1 2.78Å; R186-E189 IonicContact NH1-OE2 2.72Å; R186-E189 PolarHBondContact NH1-OE2 2.9Å; R186-E189 PolarHBondContact O-N 3.41Å; E189-R191 VanDerWaalsContact C-N 3.31Å; E189-R191 PolarHBondContact O-N 3.45Å; E189-M192 HydrophobicContact CB-CE 4.33Å; E189-M192 PolarHBondContact O-N 3.18Å; E189-F193 HydrophobicContact CG-CD2 4.17Å; E189-F193 HydrophobicContact CG-CE1 4Å; E189-F193 HydrophobicContact CG-CE2 3.57Å; E189-F193 HydrophobicContact CG-CZ 3.47Å; E189-F193 VanDerWaalsContact CG-CZ 3.47Å; E189-F193 WeakPolarHBondContact O-CG 3.36Å; E189-F193 PolarHBondContact O-N 3.45Å; E189-F193 VanDerWaalsContact OE1-CZ 3.23Å; E189-F193 WeakPolarHBondContact OE1-CZ 3.31Å
190L95Very high92.1Very high6 Ų655.4 Ų55.43%0.03127%0.265CS..Hα-helixtrans-58.6-43.7173.9174.857.4000111.4R186 L187 F193 L194 T343 V347 L375 Y378 Y379R186-L190 WeakPolarHBondContact O-CB 3.48Å; R186-L190 PolarHBondContact O-N 3.19Å; L187-L190 HydrophobicContact CD1-CD2 4.29Å; L187-L190 PolarHBondContact O-N 3.38Å; L190-F193 PolarHBondContact O-N 3.12Å; L190-L194 HydrophobicContact CD1-CD1 3.92Å; L190-L194 HydrophobicContact CD1-CG 4.05Å; L190-L194 HydrophobicContact CG-CD1 3.97Å; L190-L194 WeakPolarHBondContact O-CB 3.49Å; L190-L194 WeakPolarHBondContact O-CG 3.5Å; L190-L194 PolarHBondContact O-N 3.42Å; L190-T343 HydrophobicContact CD1-CG2 3.63Å; L190-V347 HydrophobicContact CD1-CG2 3.37Å; L190-V347 HydrophobicContact CD2-CG2 4.06Å; L190-V347 HydrophobicContact CG-CG2 4.35Å; L190-L375 HydrophobicContact CD2-CD2 3.98Å; L190-Y378 HydrophobicContact CD2-CD1 4.29Å; L190-Y378 HydrophobicContact CG-CD1 4.38Å; L190-Y379 HydrophobicContact CD1-CD2 4.43Å
191R93.9Very high92Very high45 Ų4554 Ų5417%0.1726%0.262CS..Hα-helixtrans-56.3-51.8173.2170.7-179.7170.5-119.2-12111L187 E188 E189 F193 L194 E195 Y378 V465L187-R191 PolarHBondContact O-N 3.17Å; E188-R191 WeakPolarHBondContact O-CB 3.4Å; E188-R191 PolarHBondContact O-N 3.13Å; E188-R191 IonicContact OE1-CZ 3.84Å; E188-R191 IonicContact OE1-NH1 3.77Å; E188-R191 PolarHBondContact OE1-NH1 3.31Å; E188-R191 IonicContact OE2-NH1 2.82Å; E189-R191 VanDerWaalsContact C-N 3.31Å; E189-R191 PolarHBondContact O-N 3.45Å; R191-F193 VanDerWaalsContact C-N 3.29Å; R191-F193 PolarHBondContact O-N 2.98Å; R191-L194 PolarHBondContact O-N 3.23Å; R191-E195 HydrophobicContact CG-CG 4.28Å; R191-E195 IonicContact CZ-OE1 2.68Å; R191-E195 VanDerWaalsContact CZ-OE1 3.3Å; R191-E195 IonicContact CZ-OE2 3.13Å; R191-E195 IonicContact NE-OE1 2.73Å; R191-E195 PolarHBondContact NE-OE1 2.93Å; R191-E195 IonicContact NE-OE2 2.88Å; R191-E195 IonicContact NH2-OE1 3.41Å; R191-E195 PolarHBondContact NH2-OE1 3.22Å; R191-E195 IonicContact NH2-OE2 2.87Å; R191-E195 PolarHBondContact NH2-OE2 2.9Å; R191-E195 WeakPolarHBondContact O-CG 3.36Å; R191-E195 PolarHBondContact O-N 3.44Å; R191-Y378 HydrophobicContact CB-CE1 3.87Å; R191-Y378 WeakPolarHBondContact CB-OH 3.4Å; R191-Y378 WeakPolarHBondContact CD-OH 3.25Å; R191-Y378 HydrophobicContact CG-CE1 4.47Å; R191-Y378 WeakPolarHBondContact CG-OH 3.12Å; R191-V465 HydrophobicContact CB-CG1 4.36Å
192M91.4Very high91.9Very high90 Ų9051.8 Ų51.844%0.44325%0.251SS..Hα-helixtrans-59.5-38.8179.2-69.8-171.8-66.600112.4E188 E189 N196E188-M192 WeakPolarHBondContact O-CG 3.36Å; E188-M192 PolarHBondContact O-N 3.33Å; E189-M192 HydrophobicContact CB-CE 4.33Å; E189-M192 PolarHBondContact O-N 3.18Å; M192-N196 PolarHBondContact O-N 3.39Å; M192-N196 PolarHBondContact O-ND2 3.49Å
193F94.3Very high91.6Very high77 Ų7753.1 Ų53.134%0.33826%0.263SS..Hα-helixtrans-65.4-45175.6-67.7-17.6000111.9E189 L190 R191 E195 N196 E197 T343E189-F193 HydrophobicContact CG-CD2 4.17Å; E189-F193 HydrophobicContact CG-CE1 4Å; E189-F193 HydrophobicContact CG-CE2 3.57Å; E189-F193 HydrophobicContact CG-CZ 3.47Å; E189-F193 VanDerWaalsContact CG-CZ 3.47Å; E189-F193 WeakPolarHBondContact O-CG 3.36Å; E189-F193 PolarHBondContact O-N 3.45Å; E189-F193 VanDerWaalsContact OE1-CZ 3.23Å; E189-F193 WeakPolarHBondContact OE1-CZ 3.31Å; L190-F193 PolarHBondContact O-N 3.12Å; R191-F193 VanDerWaalsContact C-N 3.29Å; R191-F193 PolarHBondContact O-N 2.98Å; F193-E195 PolarHBondContact O-N 3.48Å; F193-N196 PolarHBondContact O-N 3.19Å; F193-E197 WeakPolarHBondContact O-CB 3.38Å; F193-E197 PolarHBondContact O-N 2.93Å; F193-T343 HydrophobicContact CB-CG2 3.91Å
194L94.1Very high91Very high0 Ų053.2 Ų53.20%026%0.264CS..Hα-helixtrans-65-37.4177.6-73169000112.9L190 R191 N196 E197 W199 T343 Y378 Y379 A382 F386L190-L194 HydrophobicContact CD1-CD1 3.92Å; L190-L194 HydrophobicContact CD1-CG 4.05Å; L190-L194 HydrophobicContact CG-CD1 3.97Å; L190-L194 WeakPolarHBondContact O-CB 3.49Å; L190-L194 WeakPolarHBondContact O-CG 3.5Å; L190-L194 PolarHBondContact O-N 3.42Å; R191-L194 PolarHBondContact O-N 3.23Å; L194-N196 VanDerWaalsContact C-N 3.25Å; L194-N196 PolarHBondContact O-N 3.25Å; L194-E197 PolarHBondContact O-N 3.21Å; L194-W199 HydrophobicContact CD2-CH2 3.98Å; L194-W199 HydrophobicContact CD2-CZ2 4.31Å; L194-T343 HydrophobicContact CD2-CG2 3.91Å; L194-T343 HydrophobicContact CG-CG2 4.05Å; L194-Y378 HydrophobicContact CD1-CD1 3.96Å; L194-Y378 HydrophobicContact CD1-CE1 3.97Å; L194-Y379 HydrophobicContact CD1-CD2 4.4Å; L194-Y379 HydrophobicContact CD2-CD2 4.05Å; L194-Y379 HydrophobicContact CD2-CE2 3.81Å; L194-A382 HydrophobicContact CD1-CB 3.82Å; L194-F386 HydrophobicContact CB-CE2 4.31Å; L194-F386 HydrophobicContact CB-CZ 4.49Å
195E91.6Very high90.4Very high37 Ų3749.7 Ų49.717%0.17325%0.252CS..Hα-helixtrans-69-22.7177.9-71.5-176.9165.400112.8R191 F193 H469 S471R191-E195 HydrophobicContact CG-CG 4.28Å; R191-E195 IonicContact CZ-OE1 2.68Å; R191-E195 VanDerWaalsContact CZ-OE1 3.3Å; R191-E195 IonicContact CZ-OE2 3.13Å; R191-E195 IonicContact NE-OE1 2.73Å; R191-E195 PolarHBondContact NE-OE1 2.93Å; R191-E195 IonicContact NE-OE2 2.88Å; R191-E195 IonicContact NH2-OE1 3.41Å; R191-E195 PolarHBondContact NH2-OE1 3.22Å; R191-E195 IonicContact NH2-OE2 2.87Å; R191-E195 PolarHBondContact NH2-OE2 2.9Å; R191-E195 WeakPolarHBondContact O-CG 3.36Å; R191-E195 PolarHBondContact O-N 3.44Å; F193-E195 PolarHBondContact O-N 3.48Å; E195-H469 WeakPolarHBondContact CA-O 3.46Å; E195-H469 WeakPolarHBondContact CG-O 3.15Å; E195-H469 IonicContact OE1-ND1 2.68Å; E195-S471 VanDerWaalsContact O-CA 3.25Å; E195-S471 WeakPolarHBondContact O-CA 3.4Å; E195-S471 WeakPolarHBondContact O-CB 3.39Å; E195-S471 PolarHBondContact O-N 2.96Å
196N92.7Very high89.4Confident116 Ų11649.2 Ų49.262%0.6225%0.245SC*.Hα-helixtrans-107.7-1.3179.4-66.8-59.5000113.9M192 F193 L194M192-N196 PolarHBondContact O-N 3.39Å; M192-N196 PolarHBondContact O-ND2 3.49Å; F193-N196 PolarHBondContact O-N 3.19Å; L194-N196 VanDerWaalsContact C-N 3.25Å; L194-N196 PolarHBondContact O-N 3.25Å
197E93Very high88.6Confident20 Ų2050.5 Ų50.59%0.09326%0.258CS..  trans-65.8131.8-178-174.163.9-92.500111.3F193 L194 W199 T341 T343F193-E197 WeakPolarHBondContact O-CB 3.38Å; F193-E197 PolarHBondContact O-N 2.93Å; L194-E197 PolarHBondContact O-N 3.21Å; E197-W199 HydrophobicContact CB-CZ2 4.45Å; E197-W199 HydrophobicContact CG-CD2 3.8Å; E197-W199 HydrophobicContact CG-CE3 4.15Å; E197-W199 HydrophobicContact CG-CG 4.05Å; E197-W199 HydrophobicContact CG-CZ2 4.26Å; E197-W199 PolarHBondContact OE1-N 2.99Å; E197-T341 HydrophobicContact CG-CG2 4.49Å; E197-T341 WeakPolarHBondContact OE2-CB 3.49Å; E197-T341 PolarHBondContact OE2-OG1 3.42Å; E197-T343 WeakPolarHBondContact OE2-CB 3.23Å; E197-T343 PolarHBondContact OE2-N 2.82Å; E197-T343 PolarHBondContact OE2-OG1 3.39Å
198T91.3Very high88Confident46 Ų4651.3 Ų51.328%0.28226%0.261SS..  trans-90.6-9175.357.80000112.5
199W93.8Very high87.4Confident5 Ų552.4 Ų52.42%0.01927%0.269CS..  trans63.444.2-179.6-55.788.2000112.6L194 E197 T341 V383 F386 F387 Q487 V490 A491L194-W199 HydrophobicContact CD2-CH2 3.98Å; L194-W199 HydrophobicContact CD2-CZ2 4.31Å; E197-W199 HydrophobicContact CB-CZ2 4.45Å; E197-W199 HydrophobicContact CG-CD2 3.8Å; E197-W199 HydrophobicContact CG-CE3 4.15Å; E197-W199 HydrophobicContact CG-CG 4.05Å; E197-W199 HydrophobicContact CG-CZ2 4.26Å; E197-W199 PolarHBondContact OE1-N 2.99Å; W199-T341 HydrophobicContact CE3-CG2 3.85Å; W199-T341 HydrophobicContact CZ3-CG2 4.34Å; W199-V383 HydrophobicContact CH2-CG2 3.93Å; W199-V383 HydrophobicContact CZ3-CG2 4.33Å; W199-F386 HydrophobicContact CH2-CD2 4.47Å; W199-F386 AromaticContact CZ2-CD2 3.59Å; W199-F386 HydrophobicContact CZ2-CD2 3.59Å; W199-F386 AromaticContact CZ2-CE2 3.82Å; W199-F386 HydrophobicContact CZ2-CE2 3.82Å; W199-F387 AromaticContact CD1-CZ 3.86Å; W199-F387 HydrophobicContact CD2-CE2 4.04Å; W199-F387 HydrophobicContact CD2-CZ 4.02Å; W199-F387 AromaticContact CE2-CE2 3.69Å; W199-F387 AromaticContact CE2-CZ 3.84Å; W199-F387 HydrophobicContact CG-CZ 4.02Å; W199-F387 HydrophobicContact CH2-CE2 4.37Å; W199-F387 AromaticContact CZ2-CE2 3.9Å; W199-F387 HydrophobicContact CZ2-CE2 3.9Å; W199-F387 HydrophobicContact CZ2-CZ 4.49Å; W199-F387 AromaticContact NE1-CZ 3.74Å; W199-Q487 HydrophobicContact CB-CB 3.94Å; W199-Q487 HydrophobicContact CB-CG 4.08Å; W199-V490 HydrophobicContact CB-CG1 4.48Å; W199-V490 WeakPolarHBondContact O-CB 3.34Å; W199-V490 WeakPolarHBondContact O-CG1 3.46Å; W199-V490 WeakPolarHBondContact O-CG2 3.39Å; W199-A491 HydrophobicContact CD2-CB 3.8Å; W199-A491 HydrophobicContact CE3-CB 3.25Å; W199-A491 HydrophobicContact CH2-CB 4.07Å; W199-A491 VanDerWaalsContact CZ3-CA 3.42Å; W199-A491 HydrophobicContact CZ3-CB 3.4Å
200E89.9Confident86.9Confident139 Ų13950.1 Ų50.165%0.6526%0.259SS*.PPolyproline II helixtrans-91.8156.2171.8-67.5-176.1177.800111.8C202E200-C202 PolarHBondContact O-N 3.14Å
201L88.2Confident86.2Confident66 Ų6652.4 Ų52.435%0.34628%0.279SS..PPolyproline II helixtrans-71.1127.4179-69.3171.6000110.7I339 V490 V596L201-I339 HydrophobicContact CD2-CB 4.31Å; L201-I339 HydrophobicContact CD2-CG1 4.38Å; L201-I339 HydrophobicContact CD2-CG2 3.71Å; L201-V490 HydrophobicContact CD2-CG1 4.43Å; L201-V490 HydrophobicContact CD2-CG2 3.86Å; L201-V490 HydrophobicContact CG-CG2 4.08Å; L201-V596 HydrophobicContact CD1-CG1 4.49Å; L201-V596 HydrophobicContact CD1-CG2 4.36Å
202C86.5Confident85.4Confident13 Ų1354 Ų549%0.08829%0.288CS..PPolyproline II helixtrans-69130.5170-172.20000110.1E200 V204 L340E200-C202 PolarHBondContact O-N 3.14Å; C202-V204 VanDerWaalsContact C-N 3.28Å; C202-V204 HydrophobicContact CB-CG1 4.49Å; C202-V204 PolarHBondContact O-N 3.33Å; C202-L340 HydrophobicContact CB-CD1 3.7Å; C202-L340 HydrophobicContact CB-CG 4.25Å; C202-L340 VanDerWaalsContact CB-O 3.24Å; C202-L340 WeakPolarHBondContact CB-O 3.46Å; C202-L340 PolarHBondContact N-O 3.48Å
203P82.8Confident84.9Confident60 Ų6049.8 Ų49.839%0.3927%0.267SS..  trans-77.475.9-178.232.3-35.7000111.6A273P203-A273 PolarHBondContact O-N 3.04Å
204V81.5Confident84Confident10 Ų1050.3 Ų50.36%0.06127%0.27CS..BIsolated β-bridgetrans-96.4153.9173.8-63.80000111.8C202 F208 P338 L340C202-V204 VanDerWaalsContact C-N 3.28Å; C202-V204 HydrophobicContact CB-CG1 4.49Å; C202-V204 PolarHBondContact O-N 3.33Å; V204-F208 HydrophobicContact CB-CB 4.16Å; V204-F208 HydrophobicContact CB-CG 4.2Å; V204-F208 HydrophobicContact CG1-CG 4.47Å; V204-F208 HydrophobicContact CG2-CB 4.39Å; V204-P338 HydrophobicContact CG2-CG 3.91Å; V204-L340 HydrophobicContact CG1-CD1 4.19Å; V204-L340 HydrophobicContact CG1-CD2 4.36Å; V204-L340 HydrophobicContact CG2-CD2 3.94Å; V204-L340 HydrophobicContact CG2-CG 4.45Å
205K77.1Confident83.5Confident54 Ų5451 Ų5124%0.23527%0.274CS..  trans-66.1153.9174.4-64.5176.9-178.81630111.3N207 F208 D270 L272 A273K205-N207 VanDerWaalsContact CB-OD1 3.26Å; K205-N207 WeakPolarHBondContact CB-OD1 3.36Å; K205-N207 PolarHBondContact O-N 3.2Å; K205-F208 VanDerWaalsContact O-CB 3.23Å; K205-F208 WeakPolarHBondContact O-CB 3.23Å; K205-F208 PolarHBondContact O-N 3.11Å; K205-F208 VanDerWaalsContact O-N 3.08Å; K205-D270 PolarHBondContact NZ-O 3.37Å; K205-D270 IonicContact NZ-OD1 3.27Å; K205-D270 PolarHBondContact NZ-OD1 2.68Å; K205-D270 IonicContact NZ-OD2 2.77Å; K205-D270 PolarHBondContact NZ-OD2 3.34Å; K205-L272 VanDerWaalsContact CE-O 3.31Å; K205-L272 WeakPolarHBondContact CE-O 3.36Å; K205-A273 HydrophobicContact CG-CB 4.4Å
206S70.9Confident83Confident50 Ų5049.4 Ų49.435%0.3527%0.266SS..THydrogen-bonded Turntrans-64.6-20.9-179.950.50000114.8S336S206-S336 WeakPolarHBondContact CB-OG 3.18Å
207N74.3Confident82.1Confident104 Ų10447.4 Ų47.456%0.55625%0.252SS*.THydrogen-bonded Turntrans-103.12117766.4-29000112.5K205 N209 Q212K205-N207 VanDerWaalsContact CB-OD1 3.26Å; K205-N207 WeakPolarHBondContact CB-OD1 3.36Å; K205-N207 PolarHBondContact O-N 3.2Å; N207-N209 PolarHBondContact O-N 3.42Å; N207-Q212 PolarHBondContact O-NE2 2.99Å
208F80.4Confident81Confident21 Ų2148.4 Ų48.49%0.09226%0.256CS..  trans-56.2130.1179.3175.2-111.3000111V204 K205 I210 L213 V271 P338 L340 L345 F497V204-F208 HydrophobicContact CB-CB 4.16Å; V204-F208 HydrophobicContact CB-CG 4.2Å; V204-F208 HydrophobicContact CG1-CG 4.47Å; V204-F208 HydrophobicContact CG2-CB 4.39Å; K205-F208 VanDerWaalsContact O-CB 3.23Å; K205-F208 WeakPolarHBondContact O-CB 3.23Å; K205-F208 PolarHBondContact O-N 3.11Å; K205-F208 VanDerWaalsContact O-N 3.08Å; F208-I210 HydrophobicContact CE1-CG2 4.39Å; F208-I210 HydrophobicContact CZ-CG2 4.46Å; F208-L213 HydrophobicContact CE2-CD2 4.26Å; F208-L213 HydrophobicContact CE2-CG 4.43Å; F208-L213 HydrophobicContact CZ-CD1 4.35Å; F208-V271 HydrophobicContact CD2-CG1 3.72Å; F208-V271 HydrophobicContact CE2-CG1 3.44Å; F208-V271 VanDerWaalsContact CE2-CG1 3.44Å; F208-P338 HydrophobicContact CB-CG 4.16Å; F208-P338 HydrophobicContact CD1-CG 3.98Å; F208-L340 HydrophobicContact CD1-CD2 4.12Å; F208-L340 HydrophobicContact CE1-CD2 4.13Å; F208-L345 HydrophobicContact CE1-CD1 4.49Å; F208-L345 HydrophobicContact CE2-CD1 4.38Å; F208-L345 HydrophobicContact CZ-CD1 3.73Å; F208-F497 HydrophobicContact CD1-CZ 4.14Å; F208-F497 HydrophobicContact CE1-CE1 4.36Å; F208-F497 AromaticContact CE1-CZ 3.94Å; F208-F497 HydrophobicContact CE1-CZ 3.94Å
209N79.9Confident79.8Confident85 Ų8548.5 Ų48.546%0.45525%0.254SS..  trans-136.3135.4174.2-175.3-36000108.4N207 A211 Q212N207-N209 PolarHBondContact O-N 3.42Å; N209-A211 PolarHBondContact O-N 3.29Å; N209-A211 VanDerWaalsContact O-N 3.08Å; N209-A211 WeakPolarHBondContact OD1-CB 3.5Å; N209-A211 PolarHBondContact OD1-N 2.9Å; N209-Q212 HydrophobicContact CB-CG 4.36Å; N209-Q212 VanDerWaalsContact O-CB 3.26Å; N209-Q212 WeakPolarHBondContact O-CB 3.28Å; N209-Q212 WeakPolarHBondContact O-CG 3.01Å; N209-Q212 PolarHBondContact O-N 3.17Å
210I82.9Confident77.9Confident9 Ų950.9 Ų50.95%0.04628%0.28CS..G310 helixtrans-57-26.717962.3168.5000113.2F208 Q212 L213 F216 I348 Q501 L505F208-I210 HydrophobicContact CE1-CG2 4.39Å; F208-I210 HydrophobicContact CZ-CG2 4.46Å; I210-Q212 PolarHBondContact O-N 2.92Å; I210-L213 HydrophobicContact CB-CD1 4.42Å; I210-L213 VanDerWaalsContact O-CB 3.28Å; I210-L213 WeakPolarHBondContact O-CB 3.25Å; I210-L213 WeakPolarHBondContact O-CG 3.46Å; I210-L213 PolarHBondContact O-N 3.16Å; I210-L213 VanDerWaalsContact O-N 3.07Å; I210-F216 HydrophobicContact CD1-CE1 4.38Å; I210-F216 WeakPolarHBondContact O-CB 3.32Å; I210-F216 WeakPolarHBondContact O-CD2 3.29Å; I210-I348 HydrophobicContact CB-CG2 4.29Å; I210-I348 HydrophobicContact CG2-CD1 4.48Å; I210-I348 HydrophobicContact CG2-CG2 3.7Å; I210-Q501 HydrophobicContact CD1-CB 4.44Å; I210-Q501 HydrophobicContact CG2-CG 3.91Å; I210-L505 HydrophobicContact CD1-CD1 4.5Å; I210-L505 HydrophobicContact CD1-CD2 3.94Å; I210-L505 HydrophobicContact CD1-CG 4.23Å
211A78.7Confident75.7Confident54 Ų5452.7 Ų52.745%0.44629%0.289SS..G310 helixtrans-65.5-14.9175.900000113.8N209 L213N209-A211 PolarHBondContact O-N 3.29Å; N209-A211 VanDerWaalsContact O-N 3.08Å; N209-A211 WeakPolarHBondContact OD1-CB 3.5Å; N209-A211 PolarHBondContact OD1-N 2.9Å; A211-L213 VanDerWaalsContact C-N 3.32Å
212Q78.3Confident72.9Confident79 Ų7954.1 Ų54.137%0.36930%0.303SS..G310 helixtrans-78.4-19.1174.6-64.6164.4-12.500112.3N207 N209 I210N207-Q212 PolarHBondContact O-NE2 2.99Å; N209-Q212 HydrophobicContact CB-CG 4.36Å; N209-Q212 VanDerWaalsContact O-CB 3.26Å; N209-Q212 WeakPolarHBondContact O-CB 3.28Å; N209-Q212 WeakPolarHBondContact O-CG 3.01Å; N209-Q212 PolarHBondContact O-N 3.17Å; I210-Q212 PolarHBondContact O-N 2.92Å
213L80.4Confident70Confident0 Ų064.3 Ų64.30%034%0.34CS..SBendtrans-71.6139.6176.9-60.6171.8000109.9F208 I210 A211 E215 F216 K217 V271 L345 I348 R349F208-L213 HydrophobicContact CE2-CD2 4.26Å; F208-L213 HydrophobicContact CE2-CG 4.43Å; F208-L213 HydrophobicContact CZ-CD1 4.35Å; I210-L213 HydrophobicContact CB-CD1 4.42Å; I210-L213 VanDerWaalsContact O-CB 3.28Å; I210-L213 WeakPolarHBondContact O-CB 3.25Å; I210-L213 WeakPolarHBondContact O-CG 3.46Å; I210-L213 PolarHBondContact O-N 3.16Å; I210-L213 VanDerWaalsContact O-N 3.07Å; A211-L213 VanDerWaalsContact C-N 3.32Å; L213-E215 PolarHBondContact O-N 3.37Å; L213-F216 HydrophobicContact CB-CD2 3.96Å; L213-F216 HydrophobicContact CD1-CD2 4.04Å; L213-F216 HydrophobicContact CD1-CE2 4.05Å; L213-F216 PolarHBondContact O-N 3.32Å; L213-K217 PolarHBondContact O-N 3.3Å; L213-V271 HydrophobicContact CD2-CG1 4.18Å; L213-V271 HydrophobicContact CD2-CG2 4.04Å; L213-L345 HydrophobicContact CD1-CD1 4.38Å; L213-L345 HydrophobicContact CD2-CD1 4.35Å; L213-I348 HydrophobicContact CD1-CG2 3.85Å; L213-R349 HydrophobicContact CD1-CG 4.21Å; L213-R349 HydrophobicContact CD2-CG 4.47Å
214H76.4Confident67.1Low88 Ų8866 Ų6641%0.40735%0.353SS..G310 helixtrans-55.3-36.7178.4-176.3-93.7000110.9F216 K217 E269H214-F216 PolarHBondContact O-N 3.06Å; H214-F216 VanDerWaalsContact O-N 3.15Å; H214-K217 PolarHBondContact O-N 3.42Å; H214-E269 WeakPolarHBondContact CA-OE1 3.48Å; H214-E269 HydrophobicContact CB-CG 4.15Å; H214-E269 WeakPolarHBondContact CB-OE1 3.23Å; H214-E269 PolarHBondContact N-OE1 3.47Å
215E83.4Confident64.6Low16 Ų1672 Ų728%0.07539%0.392CS..G310 helixtrans-60.8-26.8178.6-63.189.5167.800113.2L213 F218 K353 Q356L213-E215 PolarHBondContact O-N 3.37Å; E215-F218 WeakPolarHBondContact O-CD1 3.19Å; E215-F218 WeakPolarHBondContact O-CE1 3.24Å; E215-K353 HydrophobicContact CG-CG 3.73Å; E215-K353 WeakPolarHBondContact OE1-CE 3.34Å; E215-Q356 VanDerWaalsContact CA-NE2 3.33Å; E215-Q356 PolarHBondContact O-NE2 3.49Å
216F81.2Confident62.1Low2 Ų274.4 Ų74.41%0.00942%0.416CS..G310 helixtrans-105.12.8-177.2-66.1-89000113.8I210 L213 H214 F218 M219 I348 G352 M355 L505I210-F216 HydrophobicContact CD1-CE1 4.38Å; I210-F216 WeakPolarHBondContact O-CB 3.32Å; I210-F216 WeakPolarHBondContact O-CD2 3.29Å; L213-F216 HydrophobicContact CB-CD2 3.96Å; L213-F216 HydrophobicContact CD1-CD2 4.04Å; L213-F216 HydrophobicContact CD1-CE2 4.05Å; L213-F216 PolarHBondContact O-N 3.32Å; H214-F216 PolarHBondContact O-N 3.06Å; H214-F216 VanDerWaalsContact O-N 3.15Å; F216-F218 PolarHBondContact O-N 3.48Å; F216-F218 VanDerWaalsContact O-N 3.11Å; F216-M219 HydrophobicContact CD1-SD 3.66Å; F216-M219 HydrophobicContact CE1-SD 4.38Å; F216-M219 WeakPolarHBondContact O-CB 3.17Å; F216-M219 PolarHBondContact O-N 2.85Å; F216-I348 HydrophobicContact CE2-CG2 3.79Å; F216-I348 WeakPolarHBondContact CE2-O 3.36Å; F216-I348 HydrophobicContact CZ-CG2 4.06Å; F216-I348 WeakPolarHBondContact CZ-O 3.42Å; F216-G352 VanDerWaalsContact CZ-CA 3.45Å; F216-M355 HydrophobicContact CE1-SD 4Å; F216-L505 HydrophobicContact CD1-CD2 4.18Å; F216-L505 HydrophobicContact CE1-CD1 3.95Å; F216-L505 HydrophobicContact CE1-CD2 3.79Å; F216-L505 HydrophobicContact CZ-CD1 4.39Å
217K73.3Confident60Low74 Ų7479.4 Ų79.432%0.32244%0.437SS..Hα-helixtrans-54.1-33.2177.9-79.4-174-178.7-170.50112.8L213 H214 M219 G220 E267L213-K217 PolarHBondContact O-N 3.3Å; H214-K217 PolarHBondContact O-N 3.42Å; K217-M219 PolarHBondContact O-N 3.38Å; K217-G220 PolarHBondContact O-N 3.28Å; K217-G220 VanDerWaalsContact O-N 3.08Å; K217-E267 IonicContact NZ-OE2 3.79Å; K217-E267 PolarHBondContact NZ-OE2 3.4Å
218F70.4Confident57.5Low41 Ų4179.5 Ų79.518%0.1845%0.446CS..Hα-helixtrans-60-27.5176.774.6-90.9000113.3E215 F216 M355 Q356 N359 H508E215-F218 WeakPolarHBondContact O-CD1 3.19Å; E215-F218 WeakPolarHBondContact O-CE1 3.24Å; F216-F218 PolarHBondContact O-N 3.48Å; F216-F218 VanDerWaalsContact O-N 3.11Å; F218-M355 HydrophobicContact CE1-CB 4.2Å; F218-M355 HydrophobicContact CE2-CE 4.45Å; F218-M355 HydrophobicContact CZ-CB 3.61Å; F218-M355 HydrophobicContact CZ-CE 4.02Å; F218-M355 HydrophobicContact CZ-SD 4.42Å; F218-Q356 HydrophobicContact CD1-CG 3.73Å; F218-Q356 HydrophobicContact CE1-CG 3.82Å; F218-N359 WeakPolarHBondContact CD2-ND2 3.19Å; F218-N359 WeakPolarHBondContact CE2-ND2 3.49Å; F218-H508 AromaticContact CE2-CE1 3.97Å; F218-H508 AromaticContact CE2-NE2 3.5Å
219M66.2Low55.1Low48 Ų4884.2 Ų84.224%0.23648%0.479CS..Hα-helixtrans-77.1-27.1178.1-62.9-17656.500112.4F216 K217 Q221 C222 M355 L505 H508F216-M219 HydrophobicContact CD1-SD 3.66Å; F216-M219 HydrophobicContact CE1-SD 4.38Å; F216-M219 WeakPolarHBondContact O-CB 3.17Å; F216-M219 PolarHBondContact O-N 2.85Å; K217-M219 PolarHBondContact O-N 3.38Å; M219-Q221 VanDerWaalsContact C-N 3.27Å; M219-Q221 PolarHBondContact O-N 3.47Å; M219-C222 PolarHBondContact O-N 2.79Å; M219-M355 HydrophobicContact SD-CE 3.9Å; M219-L505 HydrophobicContact CE-CD2 3.68Å; M219-L505 HydrophobicContact SD-CD2 3.72Å; M219-H508 HydrophobicContact CE-CB 4.01Å
220G52.7Low52.6Low56 Ų5685.1 Ų85.158%0.57749%0.492SS*.Hα-helixtrans-68.1-23.9178.300000113.8K217 C222K217-G220 PolarHBondContact O-N 3.28Å; K217-G220 VanDerWaalsContact O-N 3.08Å; G220-C222 VanDerWaalsContact C-N 3.29Å; G220-C222 PolarHBondContact O-N 3.25Å
221Q44.9Very low49.8Very low176 Ų17696.6 Ų96.682%0.82254%0.535SS*.THydrogen-bonded Turntrans-80.8-6.5176.7-67.9179.1-6.400113.3M219M219-Q221 VanDerWaalsContact C-N 3.27Å; M219-Q221 PolarHBondContact O-N 3.47Å
222C28.4Very low47.4Very low97 Ų97103.7 Ų103.766%0.65556%0.559SS**THydrogen-bonded Turntrans-103.735.5179.9-77.20000114.2M219 G220M219-C222 PolarHBondContact O-N 2.79Å; G220-C222 VanDerWaalsContact C-N 3.29Å; G220-C222 PolarHBondContact O-N 3.25Å
223R25.6Very low44.9Very low226 Ų226104.3 Ų104.385%0.85358%0.577SS**SBendtrans-93.295.5164.7-74.1-166.5178.8-1611.1111
224S23.2Very low42.5Very low96 Ų96109.6 Ų109.667%0.67162%0.62SS**  trans61.8125.7155.1-48.30000118.9S226S224-S226 VanDerWaalsContact C-N 3.29Å; S224-S226 PolarHBondContact O-N 3.35Å
225P29Very low40.2Very low136 Ų136110.4 Ų110.488%0.88364%0.636SS**  trans-74.283.8161.731.7-29.5000108.8
226S23Very low37.5Very low105 Ų105115.1 Ų115.173%0.73467%0.671SS**  trans-97.1103164.963.60000109S224 S228S224-S226 VanDerWaalsContact C-N 3.29Å; S224-S226 PolarHBondContact O-N 3.35Å; S226-S228 PolarHBondContact O-N 2.99Å
227I27.6Very low35Very low155 Ų155120.4 Ų120.480%0.79572%0.715SS**  trans-52.8123.1170.3-64.2159.5000109.5
228S21.7Very low32.8Very low106 Ų106119.6 Ų119.674%0.74173%0.728SS**  trans-152.8111.6145.8-79.80000108.6S226 S230S226-S228 PolarHBondContact O-N 2.99Å; S228-S230 PolarHBondContact O-N 3.17Å
229P30.8Very low30.9Very low119 Ų119123.4 Ų123.477%0.77376%0.756SS**  trans-85.9100.3-178.532.7-27.8000108.4
230S26Very low29.2Very low105 Ų105126.1 Ų126.173%0.73479%0.787SS**  trans-174.983.2163.727.40000111S228S228-S230 PolarHBondContact O-N 3.17Å
231R25.6Very low28.2Very low250 Ų250130.5 Ų130.594%0.94380%0.796SS**  trans-164.893.2141.3-104.6167.3-168.6-153.62.6107.6A233R231-A233 PolarHBondContact O-N 3.41Å; R231-A233 VanDerWaalsContact O-N 3.1Å
232Q27.2Very low27.7Very low203 Ų203130.4 Ų130.495%0.94980%0.796SS**  trans-58106.6161.7-75.1168.1-21.400107.5
233A27.1Very low27.9Very low92 Ų92135.6 Ų135.676%0.7681%0.81SS**  trans-79.9116.9152.100000105.9R231 S235R231-A233 PolarHBondContact O-N 3.41Å; R231-A233 VanDerWaalsContact O-N 3.1Å; A233-S235 PolarHBondContact O-N 2.87Å; A233-S235 VanDerWaalsContact O-N 3.09Å
234A29.2Very low28.6Very low110 Ų110129 Ų12991%0.90979%0.792SS**  trans-66.5104.6174.300000109
235S27.6Very low30Very low106 Ų106126.6 Ų126.674%0.74178%0.775SS**  trans-130.8133154.152.70000107.8A233A233-S235 PolarHBondContact O-N 2.87Å; A233-S235 VanDerWaalsContact O-N 3.09Å
236S27.5Very low31.4Very low115 Ų115121.5 Ų121.580%0.80474%0.74SS**  trans-24.5124.4-17847.70000116.3G238S236-G238 PolarHBondContact O-N 3.46Å
237A28.1Very low33.1Very low112 Ų112116.8 Ų116.893%0.92671%0.706SS**  trans-59.599.8163.500000110.5
238G27.7Very low34.5Very low58 Ų58115.2 Ų115.260%0.59870%0.695SS**  trans-92.9146.5152.900000108.8S236S236-G238 PolarHBondContact O-N 3.46Å
239P30.9Very low36.1Very low120 Ų120115.9 Ų115.978%0.77969%0.687SS**  trans-63.2145174.429.6-31.8000109L241P239-L241 PolarHBondContact O-N 3.04Å
240A28.8Very low37.6Very low106 Ų106113.1 Ų113.188%0.87666%0.662SS**  trans-53.1105.4173.300000109.4E242A240-E242 PolarHBondContact O-N 3Å
241L33.4Very low38.5Very low147 Ų147111.1 Ų111.177%0.7764%0.641SS**  trans-70.4120.4166.2-77.1161.1000106.3P239 E243P239-L241 PolarHBondContact O-N 3.04Å; L241-E243 PolarHBondContact O-N 3.43Å
242E33.6Very low39.4Very low175 Ų175108 Ų10882%0.81864%0.636SS**  trans-44132.9154-70.6170.714600107.6A240 L244A240-E242 PolarHBondContact O-N 3Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.08Å
243E32.7Very low40Very low205 Ų205105.8 Ų105.896%0.95863%0.631SS**  trans-53.7101.2170.2-82177.1151.300108L241L241-E243 PolarHBondContact O-N 3.43Å
244L40.4Very low41.3Very low88 Ų88103 Ų10346%0.46161%0.611SS.*  trans-64137.8175.7-72.4159.4000107.9E242 Q248E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.08Å; L244-Q248 HydrophobicContact CB-CB 4.42Å; L244-Q248 HydrophobicContact CD2-CB 4.37Å
245S52.7Low42.7Very low46 Ų4698.5 Ų98.532%0.32257%0.572SS.*  trans-61.7150.4176.266.10000111F247 Q248 Q249S245-F247 PolarHBondContact O-N 3.5Å; S245-F247 VanDerWaalsContact O-N 3.12Å; S245-Q248 CarbonylContact O-C 3.42Å; S245-Q248 WeakPolarHBondContact O-CA 3.29Å; S245-Q248 WeakPolarHBondContact O-CB 3.36Å; S245-Q248 PolarHBondContact O-N 3.3Å; S245-Q248 PolarHBondContact OG-N 3.05Å; S245-Q249 PolarHBondContact O-N 3.15Å
246L58.4Low44.1Very low28 Ų2893.6 Ų93.615%0.14754%0.538CS..Hα-helixtrans-55.2-34.5177.6-67.5162.6000110.9W64 V155 E158 Q248 Q249 Y250W64-L246 HydrophobicContact CH2-CB 4.44Å; V155-L246 HydrophobicContact CG2-CD1 4.27Å; E158-L246 WeakPolarHBondContact OE1-CD1 3.46Å; E158-L246 VanDerWaalsContact OE1-CG 3.29Å; E158-L246 WeakPolarHBondContact OE1-CG 3.33Å; E158-L246 WeakPolarHBondContact OE2-CB 3.35Å; E158-L246 PolarHBondContact OE2-N 3.3Å; L246-Q248 VanDerWaalsContact C-N 3.35Å; L246-Q248 PolarHBondContact O-N 3.45Å; L246-Q249 PolarHBondContact O-N 3.26Å; L246-Y250 HydrophobicContact CD2-CD2 4.43Å; L246-Y250 HydrophobicContact CD2-CE2 3.93Å; L246-Y250 WeakPolarHBondContact O-CD2 3.35Å; L246-Y250 PolarHBondContact O-N 3.18Å
247F57.2Low46.1Very low7 Ų788.5 Ų88.53%0.03150%0.501CS..Hα-helixtrans-69.5-25.2174.9-74.2-85.2000114.3W64 L68 H71 E158 F159 S245 H251W64-F247 HydrophobicContact CE3-CE1 4.39Å; W64-F247 HydrophobicContact CE3-CZ 4.25Å; W64-F247 AromaticContact CH2-CD1 3.68Å; W64-F247 HydrophobicContact CH2-CD1 3.68Å; W64-F247 HydrophobicContact CH2-CD2 4.07Å; W64-F247 AromaticContact CH2-CE1 3.57Å; W64-F247 HydrophobicContact CH2-CE1 3.57Å; W64-F247 AromaticContact CH2-CE2 3.98Å; W64-F247 HydrophobicContact CH2-CE2 3.98Å; W64-F247 AromaticContact CH2-CG 3.93Å; W64-F247 HydrophobicContact CH2-CG 3.93Å; W64-F247 AromaticContact CH2-CZ 3.73Å; W64-F247 HydrophobicContact CH2-CZ 3.73Å; W64-F247 HydrophobicContact CZ2-CD1 4.26Å; W64-F247 HydrophobicContact CZ2-CE1 4.27Å; W64-F247 HydrophobicContact CZ3-CD1 4.22Å; W64-F247 HydrophobicContact CZ3-CD2 4.34Å; W64-F247 AromaticContact CZ3-CE1 3.65Å; W64-F247 HydrophobicContact CZ3-CE1 3.65Å; W64-F247 AromaticContact CZ3-CE2 3.79Å; W64-F247 HydrophobicContact CZ3-CE2 3.79Å; W64-F247 AromaticContact CZ3-CZ 3.4Å; W64-F247 HydrophobicContact CZ3-CZ 3.4Å; W64-F247 VanDerWaalsContact CZ3-CZ 3.4Å; L68-F247 HydrophobicContact CD1-CD1 4.05Å; L68-F247 HydrophobicContact CD1-CE1 4.43Å; H71-F247 HydrophobicContact CB-CD1 4.31Å; H71-F247 HydrophobicContact CB-CE1 4.28Å; E158-F247 HydrophobicContact CB-CD2 4.19Å; E158-F247 HydrophobicContact CB-CE2 4.11Å; F159-F247 HydrophobicContact CB-CE2 4.12Å; F159-F247 HydrophobicContact CB-CZ 4.09Å; F159-F247 HydrophobicContact CD2-CE1 4.24Å; F159-F247 HydrophobicContact CD2-CE2 4.39Å; F159-F247 AromaticContact CD2-CZ 3.7Å; F159-F247 HydrophobicContact CD2-CZ 3.7Å; F159-F247 HydrophobicContact CG-CZ 4.36Å; S245-F247 PolarHBondContact O-N 3.5Å; S245-F247 VanDerWaalsContact O-N 3.12Å; F247-H251 WeakPolarHBondContact O-CB 3.34Å
248Q57.2Low47.4Very low121 Ų12188.6 Ų88.657%0.56548%0.482SS*.Hα-helixtrans-82-36.2169.7-89.6175.2-28.600112.1L244 S245 L246L244-Q248 HydrophobicContact CB-CB 4.42Å; L244-Q248 HydrophobicContact CD2-CB 4.37Å; S245-Q248 CarbonylContact O-C 3.42Å; S245-Q248 WeakPolarHBondContact O-CA 3.29Å; S245-Q248 WeakPolarHBondContact O-CB 3.36Å; S245-Q248 PolarHBondContact O-N 3.3Å; S245-Q248 PolarHBondContact OG-N 3.05Å; L246-Q248 VanDerWaalsContact C-N 3.35Å; L246-Q248 PolarHBondContact O-N 3.45Å
249Q56Low48.1Very low120 Ų12090.7 Ų90.756%0.56148%0.478SS*.Hα-helixtrans-72.9-34.6-176.7-159.5173.710.100112.8S245 L246S245-Q249 PolarHBondContact O-N 3.15Å; L246-Q249 PolarHBondContact O-N 3.26Å
250Y61.7Low48.4Very low62 Ų6293.2 Ų93.224%0.24348%0.479CS..THydrogen-bonded Turntrans-106.923179.3-62.2-72.7000113.6L246 Q252 G254 P256L246-Y250 HydrophobicContact CD2-CD2 4.43Å; L246-Y250 HydrophobicContact CD2-CE2 3.93Å; L246-Y250 WeakPolarHBondContact O-CD2 3.35Å; L246-Y250 PolarHBondContact O-N 3.18Å; Y250-Q252 PolarHBondContact O-N 3.4Å; Y250-G254 WeakPolarHBondContact CD1-O 3.32Å; Y250-P256 HydrophobicContact CD2-CG 3.9Å; Y250-P256 HydrophobicContact CE2-CB 4.34Å; Y250-P256 HydrophobicContact CE2-CG 4.03Å; Y250-P256 HydrophobicContact CG-CG 4.49Å
251H46.2Very low48.4Very low63 Ų6393.5 Ų93.529%0.29247%0.47SS..SBendtrans-67.9-33.6-175.8-163.7-90.1000113.4R72 Q75 F247R72-H251 PolarHBondContact NH2-O 2.95Å; R72-H251 VanDerWaalsContact NH2-O 3.1Å; Q75-H251 PolarHBondContact OE1-NE2 2.91Å; F247-H251 WeakPolarHBondContact O-CB 3.34Å
252Q44.1Very low48.1Very low183 Ų18395 Ų9586%0.85547%0.473SS*.SBendtrans-110.6-31.5-173.1-71.61808.500114.7Y250Y250-Q252 PolarHBondContact O-N 3.4Å
253D38.7Very low47.7Very low157 Ų15795.2 Ų95.284%0.8447%0.473SS*.SBendtrans-166.8147.7168-125.9-17.7000112.7
254G54.8Low47.7Very low33 Ų3394.5 Ų94.534%0.3447%0.467SS..  trans111.1161.6175.600000115.7Y250Y250-G254 WeakPolarHBondContact CD1-O 3.32Å
255N58.1Low47.3Very low17 Ų1799.3 Ų99.39%0.09149%0.487CS..  trans-127.4132.4-177.3-167.9-60.1000112.1K61 F257 E258K61-N255 WeakPolarHBondContact CB-ND2 3.42Å; K61-N255 VanDerWaalsContact CG-ND2 3.32Å; K61-N255 WeakPolarHBondContact CG-ND2 3.48Å; N255-F257 PolarHBondContact O-N 3.25Å; N255-F257 WeakPolarHBondContact OD1-CB 3.32Å; N255-F257 WeakPolarHBondContact OD1-CD2 3.41Å; N255-F257 PolarHBondContact OD1-N 3.28Å; N255-E258 HydrophobicContact CB-CG 4.27Å; N255-E258 PolarHBondContact O-N 3.43Å; N255-E258 VanDerWaalsContact O-N 3.15Å
256P57.6Low46.5Very low2 Ų2105.9 Ų105.91%0.01351%0.513CS..THydrogen-bonded Turntrans-55.6-23.3177.7-24.232.2000114.5W64 R151 Y250W64-P256 HydrophobicContact CD2-CG 4.01Å; W64-P256 HydrophobicContact CE3-CG 4.17Å; W64-P256 HydrophobicContact CH2-CG 4.16Å; W64-P256 HydrophobicContact CZ2-CG 4.01Å; W64-P256 HydrophobicContact CZ3-CG 4.24Å; R151-P256 WeakPolarHBondContact CD-O 3.38Å; R151-P256 PolarHBondContact NH1-O 3.33Å; Y250-P256 HydrophobicContact CD2-CG 3.9Å; Y250-P256 HydrophobicContact CE2-CB 4.34Å; Y250-P256 HydrophobicContact CE2-CG 4.03Å; Y250-P256 HydrophobicContact CG-CG 4.49Å
257F70.3Confident45.6Very low9 Ų9111.5 Ų111.54%0.03954%0.539CS..THydrogen-bonded Turntrans-95.49.6-175.5-55.5-76.1000114.2T57 C60 K61 W64 V148 R151 L152 N255T57-F257 HydrophobicContact CG2-CB 4.24Å; C60-F257 HydrophobicContact CB-CD1 3.87Å; C60-F257 HydrophobicContact CB-CD2 3.85Å; C60-F257 HydrophobicContact CB-CE1 3.7Å; C60-F257 HydrophobicContact CB-CE2 3.71Å; C60-F257 HydrophobicContact CB-CG 3.96Å; C60-F257 HydrophobicContact CB-CZ 3.64Å; C60-F257 WeakPolarHBondContact O-CE2 3.38Å; K61-F257 HydrophobicContact CG-CB 4.03Å; K61-F257 HydrophobicContact CG-CD2 4.31Å; W64-F257 HydrophobicContact CB-CE2 4.22Å; V148-F257 HydrophobicContact CG1-CD1 4.09Å; V148-F257 HydrophobicContact CG1-CE1 4.36Å; R151-F257 HydrophobicContact CB-CE1 4.13Å; R151-F257 HydrophobicContact CG-CE1 4.32Å; L152-F257 HydrophobicContact CB-CE1 4.11Å; L152-F257 HydrophobicContact CB-CZ 4.04Å; L152-F257 HydrophobicContact CD1-CZ 4.04Å; N255-F257 PolarHBondContact O-N 3.25Å; N255-F257 WeakPolarHBondContact OD1-CB 3.32Å; N255-F257 WeakPolarHBondContact OD1-CD2 3.41Å; N255-F257 PolarHBondContact OD1-N 3.28Å
258E55.5Low44.9Very low113 Ų113118 Ų11853%0.52858%0.579SS.*  trans-82110.1170.2-76.7-179.8167.700111.1N255N255-E258 HydrophobicContact CB-CG 4.27Å; N255-E258 PolarHBondContact O-N 3.43Å; N255-E258 VanDerWaalsContact O-N 3.15Å
259M41.8Very low44.6Very low102 Ų102115.7 Ų115.750%0.50257%0.568SS.*  trans-78.6126.9179-80.7-172.968.800111.8V144V144-M259 HydrophobicContact CG1-SD 4.12Å
260H36.3Very low44.5Very low173 Ų173115.7 Ų115.780%0.80157%0.572SS**  trans-90.6112.4161.7-72.962.9000108.3E262H260-E262 PolarHBondContact O-N 2.65Å
261T29.6Very low44.2Very low112 Ų112113 Ų11369%0.68756%0.562SS**  trans-79.293.4175.427.20000110H263T261-H263 PolarHBondContact O-N 3.07Å
262E26.6Very low45.2Very low179 Ų179114.6 Ų114.684%0.83657%0.572SS**  trans-80.799.9161.7-73.2-171.3171.400108.9H260 K264H260-E262 PolarHBondContact O-N 2.65Å; E262-K264 PolarHBondContact O-N 3.36Å; E262-K264 VanDerWaalsContact O-N 3.16Å
263H26Very low45.3Very low179 Ų179107.2 Ų107.283%0.82954%0.542SS*.  trans-63.6109.2166.9-86.3-81.5000109.1T261T261-H263 PolarHBondContact O-N 3.07Å
264K32Very low45.4Very low191 Ų191105.3 Ų105.383%0.8354%0.542SS*.  trans-85.7118.8161.9-92.2177.9175.5168.30108.5E262E262-K264 PolarHBondContact O-N 3.36Å; E262-K264 VanDerWaalsContact O-N 3.16Å
265E31.9Very low44.4Very low189 Ų189108.3 Ų108.388%0.88355%0.55SS*.  trans-56.2131.8176.5-66.5174.2159.600111.1E267E265-E267 PolarHBondContact O-N 3.1Å
266E36.4Very low43.5Very low184 Ų184111.1 Ų111.186%0.8658%0.583SS**  trans-71.5112.2175.2-76.9-178.7146.400110.3
267E39.8Very low42.2Very low146 Ų146121.5 Ų121.568%0.68262%0.623SS**PPolyproline II helixtrans-73.9125.6165.3-75.3179.4157.100110.5K217 E265K217-E267 IonicContact NZ-OE2 3.79Å; K217-E267 PolarHBondContact NZ-OE2 3.4Å; E265-E267 PolarHBondContact O-N 3.1Å
268T41.5Very low40.4Very low143 Ų143130.1 Ų130.188%0.87766%0.664SS**PPolyproline II helixtrans-61.2133.7177.126.80000113.5
269E51.5Low39.2Very low72 Ų72129.5 Ų129.534%0.33667%0.672SS.*PPolyproline II helixtrans-79.9125.3175.1-72.1-172.2177.900112.3H214 V271 R349H214-E269 WeakPolarHBondContact CA-OE1 3.48Å; H214-E269 HydrophobicContact CB-CG 4.15Å; H214-E269 WeakPolarHBondContact CB-OE1 3.23Å; H214-E269 PolarHBondContact N-OE1 3.47Å; E269-V271 HydrophobicContact CB-CG2 4.12Å; E269-R349 IonicContact OE2-NH2 3.62Å; E269-R349 PolarHBondContact OE2-NH2 3.22Å
270D53.6Low38.7Very low121 Ų121132.3 Ų132.365%0.64769%0.689SS**  trans-10664.6176.5-174.318.1000112.6K205K205-D270 PolarHBondContact NZ-O 3.37Å; K205-D270 IonicContact NZ-OD1 3.27Å; K205-D270 PolarHBondContact NZ-OD1 2.68Å; K205-D270 IonicContact NZ-OD2 2.77Å; K205-D270 PolarHBondContact NZ-OD2 3.34Å
271V56.9Low38.6Very low4 Ų4132.4 Ų132.42%0.02469%0.69CS.*  trans-98.8-30.5-170.8175.70000113.5F208 L213 E269F208-V271 HydrophobicContact CD2-CG1 3.72Å; F208-V271 HydrophobicContact CE2-CG1 3.44Å; F208-V271 VanDerWaalsContact CE2-CG1 3.44Å; L213-V271 HydrophobicContact CD2-CG1 4.18Å; L213-V271 HydrophobicContact CD2-CG2 4.04Å; E269-V271 HydrophobicContact CB-CG2 4.12Å
272L66.4Low38.8Very low97 Ų97134.6 Ų134.651%0.50870%0.696SS.*BIsolated β-bridgetrans-84.7144.8-175.5-61.7177.6000111.7K205 S274K205-L272 VanDerWaalsContact CE-O 3.31Å; K205-L272 WeakPolarHBondContact CE-O 3.36Å; L272-S274 PolarHBondContact O-N 3.09Å
273A46.7Very low38.9Very low28 Ų28135.9 Ų135.923%0.23170%0.703CS.*  trans-72.5121.5171.200000109.3P203 K205 N275P203-A273 PolarHBondContact O-N 3.04Å; K205-A273 HydrophobicContact CG-CB 4.4Å; A273-N275 PolarHBondContact O-N 3.47Å
274S40.2Very low39.1Very low118 Ų118136.5 Ų136.583%0.82570%0.703SS**  trans-55.9104.7175-98.50000110.6L272 G276L272-S274 PolarHBondContact O-N 3.09Å; S274-G276 VanDerWaalsContact C-N 3.27Å; S274-G276 PolarHBondContact O-N 3.45Å
275N33Very low38.9Very low95 Ų95131.9 Ų131.951%0.50869%0.694SS.*  trans-8074.8173.5-88.5-10.2000109.4A273 Y277A273-N275 PolarHBondContact O-N 3.47Å; N275-Y277 WeakPolarHBondContact O-CD2 3.47Å; N275-Y277 PolarHBondContact O-N 2.56Å
276G39.3Very low38.8Very low77 Ų77129 Ų12979%0.79469%0.69SS**SBendtrans48.19.9152.800000120.9S274S274-G276 VanDerWaalsContact C-N 3.27Å; S274-G276 PolarHBondContact O-N 3.45Å
277Y30.7Very low38.7Very low220 Ų220130.2 Ų130.286%0.86369%0.688SS**  trans-122.990.4174.4-70.7-80.4000106.1N275 S279N275-Y277 WeakPolarHBondContact O-CD2 3.47Å; N275-Y277 PolarHBondContact O-N 2.56Å; Y277-S279 PolarHBondContact O-N 3.41Å
278E33Very low38.1Very low189 Ų189132 Ų13288%0.88370%0.696SS**  trans-59115.9156.5-81.6170.7164.500106.8
279S29.7Very low37.4Very low101 Ų101132.4 Ų132.471%0.70669%0.693SS**  trans-132.877.5151.5-164.20000105.9Y277 E281Y277-S279 PolarHBondContact O-N 3.41Å; S279-E281 PolarHBondContact O-N 2.95Å
280D32.1Very low36.5Very low160 Ų160139.3 Ų139.386%0.85672%0.717SS**THydrogen-bonded Turntrans-71.628.6-176-128.67.3000112.9
281E34.5Very low35.5Very low175 Ų175141 Ų14182%0.81873%0.726SS**THydrogen-bonded Turntrans-136.74.9-173.3-80.8-162.7155.500116.8S279S279-E281 PolarHBondContact O-N 2.95Å
282L33.3Very low34.5Very low158 Ų158146.4 Ų146.483%0.82777%0.765SS**  trans-147.858.5-177-120.8115.1000117
283E29.1Very low33.4Very low207 Ų207148.9 Ų148.997%0.96778%0.779SS**  trans-13367151.1-76-167.9166.700110
284K30Very low33Very low192 Ų192152.4 Ų152.484%0.83580%0.801SS**  trans-117.4107.2164.8-151.1178.6-174.7-178.10108.3
285S27.4Very low33.7Very low93 Ų93154.3 Ų154.365%0.6580%0.802SS**  trans33.8103.615264.10000118
286V30.8Very low34.3Very low130 Ų130153.5 Ų153.579%0.78880%0.8SS**SBendtrans-79.1127.2149.4179.80000106.6
287Y32.8Very low35Very low209 Ų209154.1 Ų154.182%0.8279%0.79SS**  trans91.875.8-174.5-59.9-79.9000116.6
288Q28.4Very low36Very low184 Ų184149.7 Ų149.786%0.8678%0.782SS**  -176.9113.3116.2-103.9171.8-11.600112.4
289D26.9Very low37.1Very low151 Ų151149.4 Ų149.481%0.80778%0.781SS**  trans56.3152.3141.1-95.5-8.8000124.7
290Y30.8Very low38.1Very low216 Ų216151.9 Ų151.985%0.84779%0.785SS**  trans-74.6162.9-161.8-67.2-99.6000115.4
291D34.3Very low39.2Very low156 Ų156151.5 Ų151.583%0.83478%0.776SS**  trans96.899.7145-145.518.3000117.4
292S34.1Very low39.9Very low119 Ų119151.4 Ų151.483%0.83278%0.775SS**  trans-169.8108.6143.8-162.60000110.9
293D44.2Very low40.6Very low149 Ų149151.7 Ų151.780%0.79778%0.777SS**  trans-53.6136.7169.6-96.3-24.4000112.9
294S39.1Very low41.5Very low101 Ų101152.2 Ų152.271%0.70677%0.772SS**  trans-162.186.8157.31670000111V296S294-V296 PolarHBondContact O-N 3.1Å; S294-V296 VanDerWaalsContact O-N 3.15Å
295D54.8Low42Very low159 Ų159149.2 Ų149.285%0.8577%0.77SS**  trans-60.2104.6162.1-75.4-40.6000110.8
296V45.8Very low43Very low77 Ų77151.7 Ų151.747%0.46778%0.776SS.*  trans-126.3112.9163-175.60000108.3S294S294-V296 PolarHBondContact O-N 3.1Å; S294-V296 VanDerWaalsContact O-N 3.15Å
297P53.7Low44Very low90 Ų90153.4 Ų153.458%0.58478%0.775SS**  trans-62.1140.5178.8-23.333.5000112.9E299 L300P297-E299 PolarHBondContact O-N 2.86Å; P297-L300 PolarHBondContact O-N 2.89Å
298D51.7Low44.8Very low128 Ų128152.5 Ų152.568%0.68478%0.778SS**G310 helixtrans-61.8-9.9-174-71.4-41.5000115.3L300 K301D298-L300 PolarHBondContact O-N 3.09Å; D298-K301 PolarHBondContact O-N 3.13Å
299E55.4Low45.6Very low183 Ų183149.3 Ų149.386%0.85577%0.771SS**G310 helixtrans-71.4-15-178.4-63.7177.3171.700113.6P297P297-E299 PolarHBondContact O-N 2.86Å
300L51.7Low46.5Very low152 Ų152146.4 Ų146.480%0.79678%0.777SS**G310 helixtrans-98.85.2-179.6-86.7159.3000114.8P297 D298P297-L300 PolarHBondContact O-N 2.89Å; D298-L300 PolarHBondContact O-N 3.09Å
301K55.1Low47Very low152 Ų152143.2 Ų143.266%0.66178%0.775SS**  trans-102.613.8-177.6-70.4-177.6-177.3168.10115.2D298D298-K301 PolarHBondContact O-N 3.13Å
302Q48.2Very low47.2Very low174 Ų174140.3 Ų140.381%0.81377%0.773SS**  trans-97.1108.8174.8-72.2-174.8-100111.5Y304Q302-Y304 VanDerWaalsContact C-N 3.35Å; Q302-Y304 PolarHBondContact O-N 3.38Å
303D48.3Very low47.1Very low163 Ų163140.6 Ų140.687%0.87277%0.772SS**  trans-7089.3164.1-80.3-25.3000109
304Y48.3Very low46.7Very low218 Ų218141.8 Ų141.886%0.85578%0.777SS**  trans160128.6137-105.9-105.4000110.8Q302Q302-Y304 VanDerWaalsContact C-N 3.35Å; Q302-Y304 PolarHBondContact O-N 3.38Å
305V39.2Very low46.5Very low130 Ų130147.2 Ų147.279%0.78879%0.788SS**  trans-103.3120.2160.6-178.40000106.9E307V305-E307 PolarHBondContact O-N 3.49Å
306D50.3Low45.5Very low145 Ų145145 Ų14578%0.77579%0.785SS**  trans-70.690.3173.9-178.321.9000109.7Q308D306-Q308 PolarHBondContact O-N 3.2Å
307E51.1Low44.9Very low165 Ų165146.9 Ų146.977%0.77180%0.797SS**  trans-79.6107165-93-170.5162.800109.3V305 T309V305-E307 PolarHBondContact O-N 3.49Å; E307-T309 PolarHBondContact O-N 3.26Å
308Q49.6Very low43.9Very low190 Ų190146 Ų14689%0.88879%0.793SS**  trans-41.790.3172-72.4174.4-600112.9D306D306-Q308 PolarHBondContact O-N 3.2Å
309T45.3Very low43.2Very low117 Ų117150.7 Ų150.772%0.71880%0.801SS**  trans-130.2105.8163.1-44.70000106.8E307 D311E307-T309 PolarHBondContact O-N 3.26Å; T309-D311 VanDerWaalsContact C-N 3.27Å; T309-D311 PolarHBondContact O-N 2.96Å
310G46.3Very low42.2Very low90 Ų90149.5 Ų149.593%0.92880%0.795SS**  trans-72.271.3-17300000113.9
311D39.5Very low41.4Very low149 Ų149146 Ų14680%0.79778%0.78SS**  trans-123.5118.4165.9-108-24.4000110.7T309T309-D311 VanDerWaalsContact C-N 3.27Å; T309-D311 PolarHBondContact O-N 2.96Å
312A40.2Very low40.6Very low96 Ų96143.6 Ų143.679%0.79377%0.774SS**PPolyproline II helixtrans-78.4126.8-17700000111.3
313P32.3Very low40Very low125 Ų125145.2 Ų145.281%0.81277%0.772SS**PPolyproline II helixtrans-85138.9169.81.916.2000111.2
314L34Very low39.4Very low173 Ų173141.1 Ų141.191%0.90676%0.756SS**PPolyproline II helixtrans-55135.7179.2-68.8154.5000112.6S316L314-S316 PolarHBondContact O-N 3.5Å; L314-S316 VanDerWaalsContact O-N 3.1Å
315K36.3Very low38.7Very low215 Ų215137.7 Ų137.794%0.93575%0.746SS**  trans-52.2110.6177.2-71.9179.4176.1178.50111.6
316S33.4Very low38.5Very low113 Ų113139 Ų13979%0.7974%0.741SS**PPolyproline II helixtrans-79.9144.4166.366.40000110.6L314L314-S316 PolarHBondContact O-N 3.5Å; L314-S316 VanDerWaalsContact O-N 3.1Å
317V33Very low37.7Very low117 Ų117139.6 Ų139.671%0.70974%0.736SS**PPolyproline II helixtrans-54.2134.4-172.3-176.60000111.8R319V317-R319 PolarHBondContact O-N 3.08Å
318S33.4Very low37.1Very low72 Ų72134.7 Ų134.750%0.50372%0.72SS.*PPolyproline II helixtrans-52.6127.6-178.9330000112.9E320 T321S318-E320 PolarHBondContact O-N 3.45Å; S318-T321 PolarHBondContact O-N 3.21Å; S318-T321 VanDerWaalsContact O-N 3.11Å; S318-T321 PolarHBondContact O-OG1 3.41Å
319R37.3Very low36.3Very low225 Ų225130.4 Ų130.485%0.84970%0.703SS**THydrogen-bonded Turntrans-52.2-11.6178.6-122.6173.2173.8179.8-2.8114.7V317V317-R319 PolarHBondContact O-N 3.08Å
320E32.4Very low36.1Very low159 Ų159130 Ų13074%0.74369%0.69SS**Hα-helixtrans-76.8-29.3178.4-70174.4153.300112.9S318 I322 R323S318-E320 PolarHBondContact O-N 3.45Å; E320-I322 VanDerWaalsContact C-N 3.33Å; E320-I322 PolarHBondContact O-N 2.9Å; E320-R323 PolarHBondContact O-N 2.92Å
321T35.8Very low35.7Very low77 Ų77130.6 Ų130.647%0.47267%0.672SS.*Hα-helixtrans-77.6-19.1-178.6-290000113S318 S324S318-T321 PolarHBondContact O-N 3.21Å; S318-T321 VanDerWaalsContact O-N 3.11Å; S318-T321 PolarHBondContact O-OG1 3.41Å; T321-S324 PolarHBondContact O-OG 3.3Å
322I38.6Very low35.7Very low103 Ų103129.7 Ų129.753%0.52867%0.666SS.*Hα-helixtrans-85.9-30.2176.9-59176.6000111E320 K326E320-I322 VanDerWaalsContact C-N 3.33Å; E320-I322 PolarHBondContact O-N 2.9Å; I322-K326 PolarHBondContact O-N 3.44Å; I322-K326 VanDerWaalsContact O-N 3.14Å
323R34.5Very low35.9Very low208 Ų208127.4 Ų127.479%0.78564%0.644SS**Hα-helixtrans-69.4-31.2175.6-89.9-178.6167.8177.4-3.3113.1E320 K327E320-R323 PolarHBondContact O-N 2.92Å; R323-K327 PolarHBondContact O-N 2.84Å
324S35.6Very low36.7Very low76 Ų76126.5 Ų126.553%0.53163%0.627SS.*Hα-helixtrans-74.1-35.5176.865.30000112.8T321 S328T321-S324 PolarHBondContact O-OG 3.3Å; S324-S328 PolarHBondContact O-N 2.85Å
325K33.9Very low37.5Very low147 Ų147121 Ų12164%0.63961%0.607SS**Hα-helixtrans-70.5-39.1173.4-85.3-177.4171.8179.60113.6K327 S328 D329K325-K327 VanDerWaalsContact C-N 3.29Å; K325-K327 PolarHBondContact O-N 3.45Å; K325-S328 PolarHBondContact O-N 2.81Å; K325-S328 VanDerWaalsContact O-N 3.16Å; K325-S328 PolarHBondContact O-OG 3.16Å; K325-D329 PolarHBondContact O-N 3.43Å
326K35.6Very low38.5Very low158 Ų158114 Ų11469%0.68759%0.585SS**Hα-helixtrans-67.2-27.1175.9-82.1-173.9172.8-173.40113.6I322 Y330I322-K326 PolarHBondContact O-N 3.44Å; I322-K326 VanDerWaalsContact O-N 3.14Å; K326-Y330 PolarHBondContact O-N 3.28Å
327K34.6Very low40.4Very low156 Ų156109.7 Ų109.768%0.67856%0.556SS**Hα-helixtrans-73.1-29.6172-110.1-178.6178.3179.90113R323 K325 N331R323-K327 PolarHBondContact O-N 2.84Å; K325-K327 VanDerWaalsContact C-N 3.29Å; K325-K327 PolarHBondContact O-N 3.45Å; K327-N331 PolarHBondContact O-N 2.82Å; K327-N331 PolarHBondContact O-ND2 3.48Å
328S37.2Very low42.8Very low62 Ų62105.5 Ų105.543%0.43453%0.532SS..Hα-helixtrans-74-35.4175550000112.2S324 K325 N331 L332S324-S328 PolarHBondContact O-N 2.85Å; K325-S328 PolarHBondContact O-N 2.81Å; K325-S328 VanDerWaalsContact O-N 3.16Å; K325-S328 PolarHBondContact O-OG 3.16Å; S328-N331 PolarHBondContact O-N 2.95Å; S328-L332 PolarHBondContact O-N 3.14Å; S328-L332 VanDerWaalsContact O-N 3.1Å
329D33.3Very low45.5Very low100 Ų100102.9 Ų102.954%0.53551%0.512SS..Hα-helixtrans-71.9-35.1179.6-63.6-24000112.5K325 L332 S333K325-D329 PolarHBondContact O-N 3.43Å; D329-L332 PolarHBondContact O-N 3.01Å; D329-S333 PolarHBondContact O-N 3.45Å
330Y40Very low48.1Very low110 Ų11092.2 Ų92.243%0.43147%0.471SS..Hα-helixtrans-66.3-35.5172.9-176.2-99.5000113.2K326 L332 S333 K334K326-Y330 PolarHBondContact O-N 3.28Å; Y330-L332 VanDerWaalsContact C-N 3.33Å; Y330-S333 PolarHBondContact O-OG 2.81Å; Y330-K334 PolarHBondContact O-N 3.01Å
331N39.6Very low51Low102 Ų10284.6 Ų84.655%0.54544%0.436SS..Hα-helixtrans-73.6-26.6174.3-77.1-58.5000112.3K327 S328K327-N331 PolarHBondContact O-N 2.82Å; K327-N331 PolarHBondContact O-ND2 3.48Å; S328-N331 PolarHBondContact O-N 2.95Å
332L39.3Very low53.7Low130 Ų13085 Ų8568%0.68144%0.435SS*.Hα-helixtrans-76.5-32.7175.5-15372.1000112S328 D329 Y330 A335S328-L332 PolarHBondContact O-N 3.14Å; S328-L332 VanDerWaalsContact O-N 3.1Å; D329-L332 PolarHBondContact O-N 3.01Å; Y330-L332 VanDerWaalsContact C-N 3.33Å; L332-A335 WeakPolarHBondContact O-CB 3.29Å; L332-A335 PolarHBondContact O-N 2.9Å
333S43.6Very low56.4Low48 Ų4880.4 Ų80.434%0.33641%0.412SS..Hα-helixtrans-76-23.2175.787.70000113.9D329 Y330 A335 S336 A337D329-S333 PolarHBondContact O-N 3.45Å; Y330-S333 PolarHBondContact O-OG 2.81Å; S333-A335 PolarHBondContact O-N 2.94Å; S333-S336 PolarHBondContact O-N 2.93Å; S333-A337 PolarHBondContact O-N 2.75Å
334K48.6Very low59.3Low105 Ų10570.5 Ų70.546%0.45737%0.374SS..THydrogen-bonded Turntrans-62.1-23.1169.9-99.9-173.9176.4-173.40113.4Y330 S336Y330-K334 PolarHBondContact O-N 3.01Å; K334-S336 VanDerWaalsContact C-N 3.31Å; K334-S336 PolarHBondContact O-N 3.23Å
335A50.9Low62Low57 Ų5766.9 Ų66.947%0.47135%0.349SS..THydrogen-bonded Turntrans-76.5-14.9-176.800000113.8L332 S333 R597L332-A335 WeakPolarHBondContact O-CB 3.29Å; L332-A335 PolarHBondContact O-N 2.9Å; S333-A335 PolarHBondContact O-N 2.94Å; A335-R597 PolarHBondContact O-NE 2.79Å; A335-R597 PolarHBondContact O-NH1 3.23Å; A335-R597 PolarHBondContact O-NH2 3.24Å
336S58.4Low64.8Low70 Ų7062.2 Ų62.249%0.4933%0.331SS..THydrogen-bonded Turntrans-121-6.1-178.652.20000114.6S206 S333 K334S206-S336 WeakPolarHBondContact CB-OG 3.18Å; S333-S336 PolarHBondContact O-N 2.93Å; K334-S336 VanDerWaalsContact C-N 3.31Å; K334-S336 PolarHBondContact O-N 3.23Å
337A72.9Confident67.6Low21 Ų2154.9 Ų54.917%0.17430%0.299CS..SBendtrans-67.8140.9174.700000112.3S333S333-A337 PolarHBondContact O-N 2.75Å
338P83.8Confident70.4Confident30 Ų3047.6 Ų47.620%0.19527%0.268CS..  trans-66.3145.7175.426-30.1000110.5V204 F208 L340 F497V204-P338 HydrophobicContact CG2-CG 3.91Å; F208-P338 HydrophobicContact CB-CG 4.16Å; F208-P338 HydrophobicContact CD1-CG 3.98Å; P338-L340 HydrophobicContact CB-CD2 4.01Å; P338-L340 HydrophobicContact CG-CD2 3.8Å; P338-L340 PolarHBondContact O-N 3.08Å; P338-F497 HydrophobicContact CB-CD2 3.8Å; P338-F497 HydrophobicContact CB-CE2 3.6Å; P338-F497 HydrophobicContact CB-CZ 4.24Å; P338-F497 HydrophobicContact CG-CE2 4.23Å
339I89.2Confident73Confident17 Ų1747.3 Ų47.39%0.08726%0.258CS..  trans-87.9107.1176.3-63.5171.1000107.4L201 E493 S494 P599L201-I339 HydrophobicContact CD2-CB 4.31Å; L201-I339 HydrophobicContact CD2-CG1 4.38Å; L201-I339 HydrophobicContact CD2-CG2 3.71Å; I339-E493 HydrophobicContact CB-CB 3.94Å; I339-E493 HydrophobicContact CD1-CB 4.18Å; I339-E493 HydrophobicContact CD1-CG 4.34Å; I339-E493 HydrophobicContact CG2-CB 3.68Å; I339-S494 WeakPolarHBondContact O-CA 3.49Å; I339-P599 HydrophobicContact CD1-CG 3.64Å
340L92.6Very high75.8Confident0 Ų043.5 Ų43.50%024%0.237CC..  trans-147.1152.2176.866109.1000111.6C202 V204 F208 P338 T344 L345 S494 F497C202-L340 HydrophobicContact CB-CD1 3.7Å; C202-L340 HydrophobicContact CB-CG 4.25Å; C202-L340 VanDerWaalsContact CB-O 3.24Å; C202-L340 WeakPolarHBondContact CB-O 3.46Å; C202-L340 PolarHBondContact N-O 3.48Å; V204-L340 HydrophobicContact CG1-CD1 4.19Å; V204-L340 HydrophobicContact CG1-CD2 4.36Å; V204-L340 HydrophobicContact CG2-CD2 3.94Å; V204-L340 HydrophobicContact CG2-CG 4.45Å; F208-L340 HydrophobicContact CD1-CD2 4.12Å; F208-L340 HydrophobicContact CE1-CD2 4.13Å; P338-L340 HydrophobicContact CB-CD2 4.01Å; P338-L340 HydrophobicContact CG-CD2 3.8Å; P338-L340 PolarHBondContact O-N 3.08Å; L340-T344 HydrophobicContact CB-CG2 4.13Å; L340-L345 HydrophobicContact CD1-CB 3.9Å; L340-S494 VanDerWaalsContact CA-OG 3.25Å; L340-S494 WeakPolarHBondContact CA-OG 3.49Å; L340-F497 HydrophobicContact CB-CD1 3.99Å; L340-F497 HydrophobicContact CB-CE1 4.33Å; L340-F497 HydrophobicContact CD2-CD1 4.12Å; L340-F497 HydrophobicContact CD2-CE1 3.7Å; L340-F497 HydrophobicContact CD2-CZ 3.99Å
341T94Very high78.3Confident0 Ų038.4 Ų38.40%022%0.217CC..  trans-91.4165.4171.462.30000112.1E197 W199 T343 T344 L345 Y379 V490 S494E197-T341 HydrophobicContact CG-CG2 4.49Å; E197-T341 WeakPolarHBondContact OE2-CB 3.49Å; E197-T341 PolarHBondContact OE2-OG1 3.42Å; W199-T341 HydrophobicContact CE3-CG2 3.85Å; W199-T341 HydrophobicContact CZ3-CG2 4.34Å; T341-T343 VanDerWaalsContact C-N 3.26Å; T341-T343 PolarHBondContact O-N 3.25Å; T341-T344 PolarHBondContact N-OG1 3.39Å; T341-T344 WeakPolarHBondContact O-CB 3.33Å; T341-T344 PolarHBondContact O-N 3.43Å; T341-T344 VanDerWaalsContact O-N 3.13Å; T341-T344 PolarHBondContact OG1-N 3.1Å; T341-T344 VanDerWaalsContact OG1-N 3.08Å; T341-T344 PolarHBondContact OG1-OG1 2.92Å; T341-L345 PolarHBondContact O-N 2.97Å; T341-L345 VanDerWaalsContact O-N 3.09Å; T341-Y379 PolarHBondContact OG1-OH 3.35Å; T341-V490 HydrophobicContact CG2-CG1 3.5Å; T341-V490 VanDerWaalsContact CG2-CG1 3.5Å; T341-S494 PolarHBondContact N-OG 3.41Å
342N91.9Very high80.7Confident86 Ų8633.5 Ų33.546%0.4619%0.191SC..Hα-helixtrans-58.3-40171.3-171.656.5000111.7T344 L345 N346N342-T344 VanDerWaalsContact C-N 3.32Å; N342-T344 PolarHBondContact O-N 3.1Å; N342-L345 PolarHBondContact O-N 3.42Å; N342-N346 PolarHBondContact O-N 2.66Å
343T94.5Very high83Confident5 Ų531.3 Ų31.33%0.03118%0.176CC..Hα-helixtrans-61.2-40.4175-57.40000111.9L190 F193 L194 E197 T341 L345 N346 V347 Y379L190-T343 HydrophobicContact CD1-CG2 3.63Å; F193-T343 HydrophobicContact CB-CG2 3.91Å; L194-T343 HydrophobicContact CD2-CG2 3.91Å; L194-T343 HydrophobicContact CG-CG2 4.05Å; E197-T343 WeakPolarHBondContact OE2-CB 3.23Å; E197-T343 PolarHBondContact OE2-N 2.82Å; E197-T343 PolarHBondContact OE2-OG1 3.39Å; T341-T343 VanDerWaalsContact C-N 3.26Å; T341-T343 PolarHBondContact O-N 3.25Å; T343-L345 VanDerWaalsContact C-N 3.34Å; T343-L345 PolarHBondContact O-N 2.9Å; T343-N346 PolarHBondContact O-N 3.17Å; T343-V347 WeakPolarHBondContact O-CG2 3.46Å; T343-V347 PolarHBondContact O-N 2.94Å; T343-Y379 HydrophobicContact CG2-CE2 4.19Å
344T95.1Very high85.3Confident0 Ų029 Ų290%016%0.16CC..Hα-helixtrans-60.1-44.4175.4-53.10000111.7L340 T341 N342 N346 V347 I348 Y379 S494 F497 L498L340-T344 HydrophobicContact CB-CG2 4.13Å; T341-T344 PolarHBondContact N-OG1 3.39Å; T341-T344 WeakPolarHBondContact O-CB 3.33Å; T341-T344 PolarHBondContact O-N 3.43Å; T341-T344 VanDerWaalsContact O-N 3.13Å; T341-T344 PolarHBondContact OG1-N 3.1Å; T341-T344 VanDerWaalsContact OG1-N 3.08Å; T341-T344 PolarHBondContact OG1-OG1 2.92Å; N342-T344 VanDerWaalsContact C-N 3.32Å; N342-T344 PolarHBondContact O-N 3.1Å; T344-N346 VanDerWaalsContact C-N 3.35Å; T344-N346 PolarHBondContact O-N 3.03Å; T344-V347 PolarHBondContact O-N 3.45Å; T344-I348 HydrophobicContact CG2-CD1 4.17Å; T344-I348 WeakPolarHBondContact O-CG1 3.46Å; T344-I348 PolarHBondContact O-N 3.02Å; T344-Y379 PolarHBondContact OG1-OH 2.93Å; T344-S494 WeakPolarHBondContact OG1-CB 3.36Å; T344-F497 HydrophobicContact CG2-CD1 4.27Å; T344-L498 HydrophobicContact CG2-CB 4.21Å; T344-L498 HydrophobicContact CG2-CD1 4.45Å
345L92.3Very high87.1Confident1 Ų124 Ų241%0.00514%0.138CC..Hα-helixtrans-62.4-42.8177.1-176.160.5000111.6F208 L213 L340 T341 N342 T343 V347 I348 R349F208-L345 HydrophobicContact CE1-CD1 4.49Å; F208-L345 HydrophobicContact CE2-CD1 4.38Å; F208-L345 HydrophobicContact CZ-CD1 3.73Å; L213-L345 HydrophobicContact CD1-CD1 4.38Å; L213-L345 HydrophobicContact CD2-CD1 4.35Å; L340-L345 HydrophobicContact CD1-CB 3.9Å; T341-L345 PolarHBondContact O-N 2.97Å; T341-L345 VanDerWaalsContact O-N 3.09Å; N342-L345 PolarHBondContact O-N 3.42Å; T343-L345 VanDerWaalsContact C-N 3.34Å; T343-L345 PolarHBondContact O-N 2.9Å; L345-V347 PolarHBondContact O-N 2.71Å; L345-I348 PolarHBondContact O-N 3.22Å; L345-R349 WeakPolarHBondContact O-CG 3.4Å; L345-R349 PolarHBondContact O-N 2.9Å
346N92.7Very high88.7Confident48 Ų4823.6 Ų23.626%0.25713%0.127SC..Hα-helixtrans-63.2-39.3176.3-72.9-21.5000112.4N342 T343 T344 R349 L350N342-N346 PolarHBondContact O-N 2.66Å; T343-N346 PolarHBondContact O-N 3.17Å; T344-N346 VanDerWaalsContact C-N 3.35Å; T344-N346 PolarHBondContact O-N 3.03Å; N346-R349 PolarHBondContact O-N 3.32Å; N346-L350 WeakPolarHBondContact O-CB 3.47Å; N346-L350 PolarHBondContact O-N 3.19Å
347V95.4Very high89.8Confident4 Ų420.5 Ų20.52%0.02410%0.104CC..Hα-helixtrans-62.2-44.9173.4172.90000110.8L190 T343 T344 L345 L350 V351 Y379 L498L190-V347 HydrophobicContact CD1-CG2 3.37Å; L190-V347 HydrophobicContact CD2-CG2 4.06Å; L190-V347 HydrophobicContact CG-CG2 4.35Å; T343-V347 WeakPolarHBondContact O-CG2 3.46Å; T343-V347 PolarHBondContact O-N 2.94Å; T344-V347 PolarHBondContact O-N 3.45Å; L345-V347 PolarHBondContact O-N 2.71Å; V347-L350 WeakPolarHBondContact O-CB 3.45Å; V347-L350 PolarHBondContact O-N 3.08Å; V347-V351 WeakPolarHBondContact O-CG2 3.47Å; V347-V351 PolarHBondContact O-N 3.03Å; V347-Y379 HydrophobicContact CG2-CD2 4.15Å; V347-L498 HydrophobicContact CG1-CD1 4.1Å; V347-L498 HydrophobicContact CG1-CD2 4.14Å
348I93.3Very high90.4Very high4 Ų419.5 Ų19.52%0.02110%0.096CC..Hα-helixtrans-61.8-46.5178.1-69.8166000111I210 L213 F216 T344 L345 L350 V351 G352 F497 L498 Q501I210-I348 HydrophobicContact CB-CG2 4.29Å; I210-I348 HydrophobicContact CG2-CD1 4.48Å; I210-I348 HydrophobicContact CG2-CG2 3.7Å; L213-I348 HydrophobicContact CD1-CG2 3.85Å; F216-I348 HydrophobicContact CE2-CG2 3.79Å; F216-I348 WeakPolarHBondContact CE2-O 3.36Å; F216-I348 HydrophobicContact CZ-CG2 4.06Å; F216-I348 WeakPolarHBondContact CZ-O 3.42Å; T344-I348 HydrophobicContact CG2-CD1 4.17Å; T344-I348 WeakPolarHBondContact O-CG1 3.46Å; T344-I348 PolarHBondContact O-N 3.02Å; L345-I348 PolarHBondContact O-N 3.22Å; I348-L350 VanDerWaalsContact C-N 3.3Å; I348-L350 PolarHBondContact O-N 3.03Å; I348-V351 WeakPolarHBondContact O-CB 3.18Å; I348-V351 PolarHBondContact O-N 3.09Å; I348-G352 PolarHBondContact O-N 3.41Å; I348-F497 HydrophobicContact CD1-CD1 4.16Å; I348-F497 HydrophobicContact CD1-CE1 3.56Å; I348-L498 HydrophobicContact CD1-CD1 4.19Å; I348-L498 HydrophobicContact CG1-CD1 3.58Å; I348-Q501 HydrophobicContact CD1-CG 3.94Å
349R91.8Very high90.2Very high56 Ų5620.4 Ų20.421%0.21110%0.099CC..Hα-helixtrans-57.6-44.6174.5-74.7-178.8167.8138.6-5.6111.5L213 E269 L345 N346 V351 G352 K353L213-R349 HydrophobicContact CD1-CG 4.21Å; L213-R349 HydrophobicContact CD2-CG 4.47Å; E269-R349 IonicContact OE2-NH2 3.62Å; E269-R349 PolarHBondContact OE2-NH2 3.22Å; L345-R349 WeakPolarHBondContact O-CG 3.4Å; L345-R349 PolarHBondContact O-N 2.9Å; N346-R349 PolarHBondContact O-N 3.32Å; R349-V351 VanDerWaalsContact C-N 3.35Å; R349-V351 PolarHBondContact O-N 3.41Å; R349-G352 WeakPolarHBondContact O-CA 3.36Å; R349-G352 PolarHBondContact O-N 2.93Å; R349-G352 VanDerWaalsContact O-N 3.12Å; R349-K353 WeakPolarHBondContact O-CG 3.2Å; R349-K353 PolarHBondContact O-N 3.38Å
350L92.2Very high89.6Confident20 Ų2023.6 Ų23.611%0.10512%0.116CC..Hα-helixtrans-61.3-41.6177.5-176.162.5000112.3R186 N346 V347 I348 G352 K353 Y354 L375R186-L350 HydrophobicContact CB-CD1 4.2Å; R186-L350 HydrophobicContact CB-CD2 3.82Å; R186-L350 HydrophobicContact CG-CD1 3.93Å; R186-L350 HydrophobicContact CG-CD2 4.45Å; N346-L350 WeakPolarHBondContact O-CB 3.47Å; N346-L350 PolarHBondContact O-N 3.19Å; V347-L350 WeakPolarHBondContact O-CB 3.45Å; V347-L350 PolarHBondContact O-N 3.08Å; I348-L350 VanDerWaalsContact C-N 3.3Å; I348-L350 PolarHBondContact O-N 3.03Å; L350-G352 VanDerWaalsContact C-N 3.32Å; L350-G352 PolarHBondContact O-N 3.07Å; L350-K353 PolarHBondContact O-N 3.13Å; L350-Y354 HydrophobicContact CD1-CD1 3.98Å; L350-Y354 HydrophobicContact CD1-CE1 3.41Å; L350-Y354 VanDerWaalsContact CD1-CE1 3.41Å; L350-Y354 HydrophobicContact CD2-CE1 4.46Å; L350-Y354 HydrophobicContact CG-CD1 4.25Å; L350-Y354 HydrophobicContact CG-CE1 3.8Å; L350-Y354 VanDerWaalsContact O-CD1 3.29Å; L350-Y354 WeakPolarHBondContact O-CD1 3.31Å; L350-Y354 PolarHBondContact O-N 3.35Å; L350-L375 HydrophobicContact CD2-CD1 3.68Å; L350-L375 HydrophobicContact CD2-CD2 3.73Å; L350-L375 HydrophobicContact CD2-CG 4.39Å; L350-L375 HydrophobicContact CG-CD1 3.97Å
351V93.3Very high89Confident2 Ų224.1 Ų24.11%0.01212%0.118CC..Hα-helixtrans-60.4-42.9173.3171.20000110.7V347 I348 R349 K353 Y354 M355 V372 L375 F502 L505V347-V351 WeakPolarHBondContact O-CG2 3.47Å; V347-V351 PolarHBondContact O-N 3.03Å; I348-V351 WeakPolarHBondContact O-CB 3.18Å; I348-V351 PolarHBondContact O-N 3.09Å; R349-V351 VanDerWaalsContact C-N 3.35Å; R349-V351 PolarHBondContact O-N 3.41Å; V351-K353 PolarHBondContact O-N 3.3Å; V351-Y354 PolarHBondContact O-N 3.28Å; V351-M355 HydrophobicContact CG1-SD 4.25Å; V351-M355 WeakPolarHBondContact O-CG 3.44Å; V351-M355 PolarHBondContact O-N 3.49Å; V351-V372 HydrophobicContact CG1-CG1 4.15Å; V351-V372 HydrophobicContact CG2-CG1 4.26Å; V351-L375 HydrophobicContact CG2-CD1 4.16Å; V351-F502 HydrophobicContact CG2-CE2 4.03Å; V351-F502 HydrophobicContact CG2-CZ 3.8Å; V351-L505 HydrophobicContact CG1-CD1 3.94Å
352G89Confident88.3Confident0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-57.9-47.3173.600000112.4F216 I348 R349 L350 Y354 M355 Q356F216-G352 VanDerWaalsContact CZ-CA 3.45Å; I348-G352 PolarHBondContact O-N 3.41Å; R349-G352 WeakPolarHBondContact O-CA 3.36Å; R349-G352 PolarHBondContact O-N 2.93Å; R349-G352 VanDerWaalsContact O-N 3.12Å; L350-G352 VanDerWaalsContact C-N 3.32Å; L350-G352 PolarHBondContact O-N 3.07Å; G352-Y354 VanDerWaalsContact C-N 3.33Å; G352-Y354 PolarHBondContact O-N 3.35Å; G352-M355 PolarHBondContact O-N 3.44Å; G352-M355 VanDerWaalsContact O-N 3.17Å; G352-Q356 WeakPolarHBondContact O-CG 3.31Å; G352-Q356 PolarHBondContact O-N 3.21Å
353K87.5Confident87.9Confident83 Ų8331 Ų3136%0.36115%0.153SC..Hα-helixtrans-58.3-43.5174-64.1-175.9-177.6-179.60111.6E215 R349 L350 V351 M355 Q356 M357E215-K353 HydrophobicContact CG-CG 3.73Å; E215-K353 WeakPolarHBondContact OE1-CE 3.34Å; R349-K353 WeakPolarHBondContact O-CG 3.2Å; R349-K353 PolarHBondContact O-N 3.38Å; L350-K353 PolarHBondContact O-N 3.13Å; V351-K353 PolarHBondContact O-N 3.3Å; K353-M355 VanDerWaalsContact C-N 3.31Å; K353-M355 PolarHBondContact O-N 2.9Å; K353-Q356 WeakPolarHBondContact O-CB 3.32Å; K353-Q356 PolarHBondContact O-N 3.35Å; K353-M357 VanDerWaalsContact O-CG 3.31Å; K353-M357 WeakPolarHBondContact O-CG 3.29Å; K353-M357 PolarHBondContact O-N 3.46Å
354Y91.2Very high87.4Confident0 Ų030.9 Ų30.90%015%0.152CC..Hα-helixtrans-62.9-40178.1-78.821.8000111.3F179 Y182 H183 L350 V351 G352 M357 M358 V368 C371 V372 L375F179-Y354 HydrophobicContact CE1-CE2 4.48Å; F179-Y354 HydrophobicContact CE2-CD1 4.18Å; F179-Y354 HydrophobicContact CE2-CD2 4.45Å; F179-Y354 HydrophobicContact CE2-CE1 4.41Å; F179-Y354 HydrophobicContact CE2-CG 4.22Å; F179-Y354 HydrophobicContact CZ-CD1 4.16Å; F179-Y354 AromaticContact CZ-CD2 3.66Å; F179-Y354 HydrophobicContact CZ-CD2 3.66Å; F179-Y354 HydrophobicContact CZ-CE1 4.29Å; F179-Y354 AromaticContact CZ-CE2 3.82Å; F179-Y354 HydrophobicContact CZ-CE2 3.82Å; F179-Y354 AromaticContact CZ-CG 3.85Å; F179-Y354 HydrophobicContact CZ-CG 3.85Å; Y182-Y354 HydrophobicContact CD1-CE1 4.02Å; Y182-Y354 HydrophobicContact CE1-CD1 4.34Å; Y182-Y354 AromaticContact CE1-CE1 3.69Å; Y182-Y354 HydrophobicContact CE1-CE1 3.69Å; H183-Y354 WeakPolarHBondContact CA-OH 3.38Å; H183-Y354 AromaticContact ND1-CE2 3.47Å; H183-Y354 WeakPolarHBondContact ND1-CE2 3.34Å; H183-Y354 AromaticContact ND1-CZ 3.57Å; H183-Y354 PolarHBondContact ND1-OH 2.97Å; L350-Y354 HydrophobicContact CD1-CD1 3.98Å; L350-Y354 HydrophobicContact CD1-CE1 3.41Å; L350-Y354 VanDerWaalsContact CD1-CE1 3.41Å; L350-Y354 HydrophobicContact CD2-CE1 4.46Å; L350-Y354 HydrophobicContact CG-CD1 4.25Å; L350-Y354 HydrophobicContact CG-CE1 3.8Å; L350-Y354 VanDerWaalsContact O-CD1 3.29Å; L350-Y354 WeakPolarHBondContact O-CD1 3.31Å; L350-Y354 PolarHBondContact O-N 3.35Å; V351-Y354 PolarHBondContact O-N 3.28Å; G352-Y354 VanDerWaalsContact C-N 3.33Å; G352-Y354 PolarHBondContact O-N 3.35Å; Y354-M357 PolarHBondContact O-N 2.96Å; Y354-M358 WeakPolarHBondContact O-CB 3.45Å; Y354-M358 PolarHBondContact O-N 2.82Å; Y354-V368 HydrophobicContact CG-CG1 4.47Å; Y354-V368 WeakPolarHBondContact O-CG1 3.46Å; Y354-C371 HydrophobicContact CD2-CB 4.35Å; Y354-C371 HydrophobicContact CE2-CB 3.92Å; Y354-V372 HydrophobicContact CD2-CG2 3.72Å; Y354-V372 HydrophobicContact CG-CG2 4.29Å; Y354-L375 HydrophobicContact CD2-CD1 4.21Å; Y354-L375 HydrophobicContact CE2-CD1 3.8Å; Y354-L375 HydrophobicContact CE2-CG 4.47Å
355M87.6Confident87Confident1 Ų131 Ų311%0.00515%0.154CC..Hα-helixtrans-65.1-38.5175.5-67.1176.973.700112.4F216 F218 M219 V351 G352 K353 M358 N359 L505 H508 L509F216-M355 HydrophobicContact CE1-SD 4Å; F218-M355 HydrophobicContact CE1-CB 4.2Å; F218-M355 HydrophobicContact CE2-CE 4.45Å; F218-M355 HydrophobicContact CZ-CB 3.61Å; F218-M355 HydrophobicContact CZ-CE 4.02Å; F218-M355 HydrophobicContact CZ-SD 4.42Å; M219-M355 HydrophobicContact SD-CE 3.9Å; V351-M355 HydrophobicContact CG1-SD 4.25Å; V351-M355 WeakPolarHBondContact O-CG 3.44Å; V351-M355 PolarHBondContact O-N 3.49Å; G352-M355 PolarHBondContact O-N 3.44Å; G352-M355 VanDerWaalsContact O-N 3.17Å; K353-M355 VanDerWaalsContact C-N 3.31Å; K353-M355 PolarHBondContact O-N 2.9Å; M355-M358 HydrophobicContact CG-CE 4.49Å; M355-M358 WeakPolarHBondContact O-CB 3.23Å; M355-M358 PolarHBondContact O-N 3.41Å; M355-N359 PolarHBondContact O-N 3.26Å; M355-N359 PolarHBondContact O-ND2 3.2Å; M355-L505 HydrophobicContact CE-CD2 4.27Å; M355-L505 HydrophobicContact SD-CD1 4.09Å; M355-L505 HydrophobicContact SD-CD2 4.16Å; M355-H508 HydrophobicContact CE-CB 4.18Å; M355-H508 WeakPolarHBondContact CE-CD2 3.11Å; M355-L509 HydrophobicContact CE-CD2 3.98Å; M355-L509 HydrophobicContact CE-CG 4.43Å; M355-L509 HydrophobicContact CG-CD2 4.11Å; M355-L509 HydrophobicContact SD-CD2 4.27Å
356Q84.3Confident86.9Confident48 Ų4833.4 Ų33.422%0.22416%0.164CC..Hα-helixtrans-62-46.5172.3-67.7180-14.800111.6E215 F218 G352 K353 M358 N359 I360E215-Q356 VanDerWaalsContact CA-NE2 3.33Å; E215-Q356 PolarHBondContact O-NE2 3.49Å; F218-Q356 HydrophobicContact CD1-CG 3.73Å; F218-Q356 HydrophobicContact CE1-CG 3.82Å; G352-Q356 WeakPolarHBondContact O-CG 3.31Å; G352-Q356 PolarHBondContact O-N 3.21Å; K353-Q356 WeakPolarHBondContact O-CB 3.32Å; K353-Q356 PolarHBondContact O-N 3.35Å; Q356-M358 VanDerWaalsContact C-N 3.29Å; Q356-M358 PolarHBondContact O-N 3.27Å; Q356-N359 WeakPolarHBondContact O-CB 3.41Å; Q356-N359 PolarHBondContact O-N 3.49Å; Q356-N359 VanDerWaalsContact O-N 3.16Å; Q356-I360 PolarHBondContact O-N 2.73Å
357M81.9Confident86.8Confident4 Ų433.7 Ų33.72%0.0217%0.166CC..Hα-helixtrans-58.7-41.7174.9-65.3-169.2-172.300111.6Y139 F179 Y182 K353 Y354 N359 I360 L361Y139-M357 HydrophobicContact CD2-CE 3.39Å; Y139-M357 HydrophobicContact CD2-CG 4.34Å; Y139-M357 HydrophobicContact CD2-SD 4.25Å; Y139-M357 HydrophobicContact CE2-CE 3.56Å; Y139-M357 HydrophobicContact CE2-CG 3.55Å; Y139-M357 HydrophobicContact CE2-SD 4.02Å; Y139-M357 HydrophobicContact CG-CE 4.12Å; F179-M357 HydrophobicContact CD2-SD 3.92Å; F179-M357 HydrophobicContact CE2-CB 4.37Å; F179-M357 HydrophobicContact CE2-SD 3.8Å; Y182-M357 HydrophobicContact CD1-CE 4Å; Y182-M357 HydrophobicContact CD1-SD 4.18Å; Y182-M357 HydrophobicContact CE1-CE 3.39Å; Y182-M357 HydrophobicContact CE1-SD 4.06Å; Y182-M357 HydrophobicContact CE2-CE 4.47Å; K353-M357 VanDerWaalsContact O-CG 3.31Å; K353-M357 WeakPolarHBondContact O-CG 3.29Å; K353-M357 PolarHBondContact O-N 3.46Å; Y354-M357 PolarHBondContact O-N 2.96Å; M357-N359 VanDerWaalsContact C-N 3.32Å; M357-N359 PolarHBondContact O-N 3.34Å; M357-I360 PolarHBondContact O-N 3Å; M357-L361 VanDerWaalsContact O-CB 3.23Å; M357-L361 WeakPolarHBondContact O-CB 3.42Å; M357-L361 PolarHBondContact O-N 3.33Å
358M84.6Confident86.6Confident1 Ų133.6 Ų33.61%0.00517%0.165CC..Hα-helixtrans-62.6-35.6177.3-179.6173.76400113.1Y354 M355 Q356 I360 L361 K362 A365 V368 I369 L509 M512Y354-M358 WeakPolarHBondContact O-CB 3.45Å; Y354-M358 PolarHBondContact O-N 2.82Å; M355-M358 HydrophobicContact CG-CE 4.49Å; M355-M358 WeakPolarHBondContact O-CB 3.23Å; M355-M358 PolarHBondContact O-N 3.41Å; Q356-M358 VanDerWaalsContact C-N 3.29Å; Q356-M358 PolarHBondContact O-N 3.27Å; M358-I360 VanDerWaalsContact C-N 3.3Å; M358-I360 PolarHBondContact O-N 3.47Å; M358-L361 CarbonylContact O-C 3.6Å; M358-K362 PolarHBondContact O-N 3.19Å; M358-A365 HydrophobicContact CG-CB 3.65Å; M358-A365 HydrophobicContact SD-CB 3.92Å; M358-V368 HydrophobicContact CB-CB 4.24Å; M358-V368 HydrophobicContact CB-CG1 3.94Å; M358-V368 HydrophobicContact CB-CG2 4.43Å; M358-I369 HydrophobicContact CE-CD1 4.38Å; M358-I369 HydrophobicContact SD-CD1 3.6Å; M358-I369 HydrophobicContact SD-CG1 3.68Å; M358-L509 HydrophobicContact CE-CD2 3.88Å; M358-M512 HydrophobicContact CE-CB 3.75Å; M358-M512 HydrophobicContact CE-CG 3.91Å; M358-M512 HydrophobicContact CG-CE 4.34Å; M358-M512 HydrophobicContact SD-CB 4.07Å
359N79.8Confident86.6Confident49 Ų4933.6 Ų33.626%0.26217%0.165SC..Hα-helixtrans-64-36.7177.1-76.6-28.6000112.2F218 M355 Q356 M357 K362 M512F218-N359 WeakPolarHBondContact CD2-ND2 3.19Å; F218-N359 WeakPolarHBondContact CE2-ND2 3.49Å; M355-N359 PolarHBondContact O-N 3.26Å; M355-N359 PolarHBondContact O-ND2 3.2Å; Q356-N359 WeakPolarHBondContact O-CB 3.41Å; Q356-N359 PolarHBondContact O-N 3.49Å; Q356-N359 VanDerWaalsContact O-N 3.16Å; M357-N359 VanDerWaalsContact C-N 3.32Å; M357-N359 PolarHBondContact O-N 3.34Å; N359-K362 WeakPolarHBondContact O-CG 3.33Å; N359-M512 WeakPolarHBondContact OD1-CE 3.45Å
360I77.9Confident86.6Confident84 Ų8434.3 Ų34.343%0.43117%0.17SC..Hα-helixtrans-79.4-46177.3-59.2164.1000109.8Y139 I143 L146 Q356 M357 M358 K362Y139-I360 WeakPolarHBondContact OH-CD1 3.39Å; I143-I360 HydrophobicContact CD1-CD1 3.84Å; I143-I360 HydrophobicContact CD1-CG2 4.16Å; I143-I360 HydrophobicContact CG1-CD1 4.4Å; L146-I360 HydrophobicContact CD1-CG2 4.4Å; Q356-I360 PolarHBondContact O-N 2.73Å; M357-I360 PolarHBondContact O-N 3Å; M358-I360 VanDerWaalsContact C-N 3.3Å; M358-I360 PolarHBondContact O-N 3.47Å; I360-K362 PolarHBondContact O-N 3.47Å
361L79.3Confident86.7Confident10 Ų1033.8 Ų33.85%0.05217%0.168CC..  trans-96.751.3-174.3-62.5173.9000112.3F142 L146 S175 M357 M358 P363 I364F142-L361 HydrophobicContact CE1-CD1 4.27Å; L146-L361 HydrophobicContact CD1-CD2 3.43Å; L146-L361 VanDerWaalsContact CD1-CD2 3.43Å; L146-L361 HydrophobicContact CD1-CG 4.29Å; L146-L361 HydrophobicContact CD2-CD2 4.23Å; L146-L361 HydrophobicContact CG-CD2 4.48Å; S175-L361 WeakPolarHBondContact OG-CD2 3.11Å; M357-L361 VanDerWaalsContact O-CB 3.23Å; M357-L361 WeakPolarHBondContact O-CB 3.42Å; M357-L361 PolarHBondContact O-N 3.33Å; M358-L361 CarbonylContact O-C 3.6Å; L361-P363 VanDerWaalsContact C-N 3.26Å; L361-P363 VanDerWaalsContact O-N 3.08Å; L361-I364 HydrophobicContact CB-CD1 3.8Å; L361-I364 HydrophobicContact CB-CG1 3.6Å; L361-I364 HydrophobicContact CD1-CD1 3.76Å; L361-I364 HydrophobicContact CG-CD1 4.34Å; L361-I364 WeakPolarHBondContact O-CG1 3.36Å; L361-I364 PolarHBondContact O-N 2.54Å
362K79.4Confident86.7Confident145 Ų14533.9 Ų33.963%0.6317%0.169SC*.G310 helixtrans-47.7-38.5179.7-64-177-179.8174.30114.7M358 N359 I360 I364 A365M358-K362 PolarHBondContact O-N 3.19Å; N359-K362 WeakPolarHBondContact O-CG 3.33Å; I360-K362 PolarHBondContact O-N 3.47Å; K362-I364 PolarHBondContact O-N 2.94Å; K362-I364 VanDerWaalsContact O-N 3.13Å; K362-A365 WeakPolarHBondContact O-CB 3.35Å; K362-A365 PolarHBondContact O-N 3.34Å
363P82.1Confident87Confident87 Ų8734.2 Ų34.257%0.56517%0.171SC*.G310 helixtrans-62.3-18.7-179.7-25.336.2000115.7K172 L361K172-P363 HydrophobicContact CD-CB 4.12Å; K172-P363 VanDerWaalsContact CE-O 3.31Å; K172-P363 WeakPolarHBondContact CE-O 3.44Å; K172-P363 HydrophobicContact CG-CB 4.13Å; L361-P363 VanDerWaalsContact C-N 3.26Å; L361-P363 VanDerWaalsContact O-N 3.08Å
364I85.4Confident87.4Confident2 Ų231.7 Ų31.71%0.0116%0.161CC..G310 helixtrans-115.616.9-179.265.2162.3000112.2K172 V176 F179 L361 K362 F366 D367 V368K172-I364 HydrophobicContact CG-CG2 3.97Å; V176-I364 HydrophobicContact CG2-CB 4.32Å; V176-I364 HydrophobicContact CG2-CG2 3.4Å; V176-I364 VanDerWaalsContact CG2-CG2 3.4Å; F179-I364 HydrophobicContact CB-CD1 4.1Å; F179-I364 HydrophobicContact CG-CD1 4.38Å; L361-I364 HydrophobicContact CB-CD1 3.8Å; L361-I364 HydrophobicContact CB-CG1 3.6Å; L361-I364 HydrophobicContact CD1-CD1 3.76Å; L361-I364 HydrophobicContact CG-CD1 4.34Å; L361-I364 WeakPolarHBondContact O-CG1 3.36Å; L361-I364 PolarHBondContact O-N 2.54Å; K362-I364 PolarHBondContact O-N 2.94Å; K362-I364 VanDerWaalsContact O-N 3.13Å; I364-F366 PolarHBondContact O-N 3.48Å; I364-F366 VanDerWaalsContact O-N 3.1Å; I364-D367 HydrophobicContact CB-CB 4.42Å; I364-D367 WeakPolarHBondContact O-CB 3.49Å; I364-D367 PolarHBondContact O-N 3.31Å; I364-V368 HydrophobicContact CD1-CG2 4.07Å; I364-V368 HydrophobicContact CG1-CG2 4.17Å; I364-V368 PolarHBondContact O-N 2.87Å; I364-V368 VanDerWaalsContact O-N 3.1Å
365A86.8Confident87.6Confident3 Ų331.7 Ų31.73%0.02516%0.161CC..Hα-helixtrans-54.7-34.6-175.500000113.5M358 K362 V368 I369M358-A365 HydrophobicContact CG-CB 3.65Å; M358-A365 HydrophobicContact SD-CB 3.92Å; K362-A365 WeakPolarHBondContact O-CB 3.35Å; K362-A365 PolarHBondContact O-N 3.34Å; A365-V368 PolarHBondContact O-N 3.17Å; A365-I369 WeakPolarHBondContact O-CG1 3.11Å; A365-I369 PolarHBondContact O-N 3.42Å
366F90.3Very high88.1Confident51 Ų5131.6 Ų31.622%0.22416%0.16CC..Hα-helixtrans-63.4-45.6174.4175.2-104.6000112.6I364 V368 I369 H370 M513 K517 F520I364-F366 PolarHBondContact O-N 3.48Å; I364-F366 VanDerWaalsContact O-N 3.1Å; F366-V368 VanDerWaalsContact C-N 3.3Å; F366-V368 PolarHBondContact O-N 2.93Å; F366-I369 PolarHBondContact O-N 3.25Å; F366-H370 WeakPolarHBondContact O-CB 3.5Å; F366-H370 PolarHBondContact O-N 2.98Å; F366-M513 HydrophobicContact CD2-CE 4.02Å; F366-M513 HydrophobicContact CD2-SD 4.36Å; F366-K517 HydrophobicContact CD2-CB 3.69Å; F366-K517 HydrophobicContact CD2-CD 3.93Å; F366-K517 HydrophobicContact CD2-CG 3.75Å; F366-K517 HydrophobicContact CE2-CB 4.08Å; F366-K517 HydrophobicContact CE2-CD 3.84Å; F366-K517 HydrophobicContact CE2-CG 4.15Å; F366-K517 HydrophobicContact CG-CB 4.49Å; F366-K517 HydrophobicContact CG-CD 4.36Å; F366-K517 HydrophobicContact CG-CG 4.14Å; F366-K517 HydrophobicContact CZ-CD 4.2Å; F366-F520 HydrophobicContact CE2-CB 4.28Å; F366-F520 AromaticContact CE2-CD1 3.98Å; F366-F520 HydrophobicContact CE2-CD1 3.98Å; F366-F520 HydrophobicContact CE2-CG 4.05Å
367D90.3Very high88.7Confident54 Ų5429.9 Ų29.929%0.28915%0.152SC..Hα-helixtrans-63.1-40.1179.7-56-73.5000110.6I364 H370 C371I364-D367 HydrophobicContact CB-CB 4.42Å; I364-D367 WeakPolarHBondContact O-CB 3.49Å; I364-D367 PolarHBondContact O-N 3.31Å; D367-H370 WeakPolarHBondContact O-CB 3.41Å; D367-H370 PolarHBondContact O-N 2.9Å; D367-C371 PolarHBondContact O-N 3Å; D367-C371 PolarHBondContact O-SG 3.09Å; D367-C371 VanDerWaalsContact O-SG 3.34Å
368V91.8Very high89.4Confident1 Ų129.7 Ų29.71%0.00615%0.151CC..Hα-helixtrans-63-45.8176179.80000111.6F179 Y354 M358 I364 A365 F366 H370 C371 V372F179-V368 HydrophobicContact CD1-CG2 4.15Å; F179-V368 HydrophobicContact CD2-CG2 4.17Å; F179-V368 HydrophobicContact CE1-CB 4.14Å; F179-V368 HydrophobicContact CE1-CG1 4.29Å; F179-V368 HydrophobicContact CE1-CG2 3.89Å; F179-V368 HydrophobicContact CE2-CG1 4.12Å; F179-V368 HydrophobicContact CE2-CG2 3.9Å; F179-V368 HydrophobicContact CG-CG2 4.29Å; F179-V368 HydrophobicContact CZ-CB 3.97Å; F179-V368 HydrophobicContact CZ-CG1 3.65Å; F179-V368 HydrophobicContact CZ-CG2 3.77Å; Y354-V368 HydrophobicContact CG-CG1 4.47Å; Y354-V368 WeakPolarHBondContact O-CG1 3.46Å; M358-V368 HydrophobicContact CB-CB 4.24Å; M358-V368 HydrophobicContact CB-CG1 3.94Å; M358-V368 HydrophobicContact CB-CG2 4.43Å; I364-V368 HydrophobicContact CD1-CG2 4.07Å; I364-V368 HydrophobicContact CG1-CG2 4.17Å; I364-V368 PolarHBondContact O-N 2.87Å; I364-V368 VanDerWaalsContact O-N 3.1Å; A365-V368 PolarHBondContact O-N 3.17Å; F366-V368 VanDerWaalsContact C-N 3.3Å; F366-V368 PolarHBondContact O-N 2.93Å; V368-H370 VanDerWaalsContact C-N 3.33Å; V368-H370 PolarHBondContact O-N 3.41Å; V368-C371 WeakPolarHBondContact O-CB 3.37Å; V368-C371 PolarHBondContact O-N 3.47Å; V368-V372 WeakPolarHBondContact O-CG2 3.37Å; V368-V372 PolarHBondContact O-N 3.41Å
369I91.4Very high90Very high4 Ų429.6 Ų29.62%0.02115%0.151CC..Hα-helixtrans-65.8-36.8178.2-75.1170.7000111.8M358 A365 F366 C371 V372 S373 L509 M513 F520 L521M358-I369 HydrophobicContact CE-CD1 4.38Å; M358-I369 HydrophobicContact SD-CD1 3.6Å; M358-I369 HydrophobicContact SD-CG1 3.68Å; A365-I369 WeakPolarHBondContact O-CG1 3.11Å; A365-I369 PolarHBondContact O-N 3.42Å; F366-I369 PolarHBondContact O-N 3.25Å; I369-C371 VanDerWaalsContact C-N 3.34Å; I369-V372 PolarHBondContact O-N 3.4Å; I369-S373 PolarHBondContact O-N 3.38Å; I369-L509 HydrophobicContact CD1-CB 4.48Å; I369-L509 HydrophobicContact CD1-CD2 4.32Å; I369-L509 HydrophobicContact CG1-CD2 4.21Å; I369-M513 HydrophobicContact CB-SD 4.33Å; I369-M513 HydrophobicContact CD1-CG 3.34Å; I369-M513 HydrophobicContact CD1-SD 3.38Å; I369-M513 WeakPolarHBondContact CD1-SD 3.41Å; I369-M513 HydrophobicContact CG1-SD 4.41Å; I369-M513 HydrophobicContact CG2-SD 4.34Å; I369-F520 HydrophobicContact CG2-CE1 4.43Å; I369-L521 HydrophobicContact CG2-CD1 3.9Å
370H92.6Very high90.8Very high71 Ų7127.3 Ų27.333%0.32914%0.139SC..Hα-helixtrans-59.1-46.7171.9-178.6-85.7000110.9F366 D367 V368 V372 S373 Q374 F520F366-H370 WeakPolarHBondContact O-CB 3.5Å; F366-H370 PolarHBondContact O-N 2.98Å; D367-H370 WeakPolarHBondContact O-CB 3.41Å; D367-H370 PolarHBondContact O-N 2.9Å; V368-H370 VanDerWaalsContact C-N 3.33Å; V368-H370 PolarHBondContact O-N 3.41Å; H370-V372 PolarHBondContact O-N 3.04Å; H370-S373 WeakPolarHBondContact O-CB 3.41Å; H370-S373 PolarHBondContact O-N 3.44Å; H370-S373 VanDerWaalsContact O-N 3.1Å; H370-S373 PolarHBondContact O-OG 3.08Å; H370-Q374 PolarHBondContact CE1-NE2 3Å; H370-Q374 PolarHBondContact ND1-OE1 3.17Å; H370-Q374 PolarHBondContact O-N 3.37Å; H370-F520 AromaticContact CD2-CZ 3.78Å
371C93.9Very high91.6Very high9 Ų923.3 Ų23.36%0.06112%0.118CC..Hα-helixtrans-64.2-36.4175.2-680000113.5F179 H183 Y354 D367 V368 I369 S373 Q374 L375F179-C371 HydrophobicContact CE1-CB 3.65Å; F179-C371 HydrophobicContact CZ-CB 4.25Å; H183-C371 HydrophobicContact CB-CB 4.31Å; H183-C371 PolarHBondContact CD2-SG 3.14Å; H183-C371 PolarHBondContact CE1-O 3.48Å; H183-C371 VanDerWaalsContact CE1-O 3.31Å; H183-C371 VanDerWaalsContact CG-SG 3.58Å; Y354-C371 HydrophobicContact CD2-CB 4.35Å; Y354-C371 HydrophobicContact CE2-CB 3.92Å; D367-C371 PolarHBondContact O-N 3Å; D367-C371 PolarHBondContact O-SG 3.09Å; D367-C371 VanDerWaalsContact O-SG 3.34Å; V368-C371 WeakPolarHBondContact O-CB 3.37Å; V368-C371 PolarHBondContact O-N 3.47Å; I369-C371 VanDerWaalsContact C-N 3.34Å; C371-S373 VanDerWaalsContact C-N 3.29Å; C371-S373 PolarHBondContact O-N 3.05Å; C371-Q374 WeakPolarHBondContact O-CB 3.5Å; C371-Q374 PolarHBondContact O-N 3.45Å; C371-L375 PolarHBondContact O-N 2.98Å; C371-L375 VanDerWaalsContact O-N 3.13Å
372V94.7Very high92.4Very high4 Ų422.8 Ų22.82%0.02412%0.116CC..Hα-helixtrans-59.5-41.8170.9169.30000110.7V351 Y354 V368 I369 H370 L375 F376 F502V351-V372 HydrophobicContact CG1-CG1 4.15Å; V351-V372 HydrophobicContact CG2-CG1 4.26Å; Y354-V372 HydrophobicContact CD2-CG2 3.72Å; Y354-V372 HydrophobicContact CG-CG2 4.29Å; V368-V372 WeakPolarHBondContact O-CG2 3.37Å; V368-V372 PolarHBondContact O-N 3.41Å; I369-V372 PolarHBondContact O-N 3.4Å; H370-V372 PolarHBondContact O-N 3.04Å; V372-L375 PolarHBondContact O-N 3.34Å; V372-F376 PolarHBondContact O-N 2.95Å; V372-F502 HydrophobicContact CG1-CD1 4.48Å; V372-F502 HydrophobicContact CG1-CE1 3.5Å; V372-F502 HydrophobicContact CG1-CZ 3.86Å
373S94.6Very high93.2Very high7 Ų715.9 Ų15.95%0.0499%0.086CC..Hα-helixtrans-65.7-36175.872.50000112.7I369 H370 C371 L375 F376 D377 F524I369-S373 PolarHBondContact O-N 3.38Å; H370-S373 WeakPolarHBondContact O-CB 3.41Å; H370-S373 PolarHBondContact O-N 3.44Å; H370-S373 VanDerWaalsContact O-N 3.1Å; H370-S373 PolarHBondContact O-OG 3.08Å; C371-S373 VanDerWaalsContact C-N 3.29Å; C371-S373 PolarHBondContact O-N 3.05Å; S373-L375 PolarHBondContact O-N 3.34Å; S373-F376 PolarHBondContact O-N 3.26Å; S373-D377 WeakPolarHBondContact O-CB 3.42Å; S373-D377 PolarHBondContact O-N 2.95Å; S373-F524 VanDerWaalsContact CB-CE2 3.48Å
374Q95.3Very high93.8Very high30 Ų3013.6 Ų13.614%0.147%0.066CC..Hα-helixtrans-63.9-38.5175.9-71.3175.9-58.800112.5H183 H370 C371 F376 D377 Y378 L442H183-Q374 PolarHBondContact NE2-OE1 3.35Å; H183-Q374 VanDerWaalsContact NE2-OE1 3.1Å; H370-Q374 PolarHBondContact CE1-NE2 3Å; H370-Q374 PolarHBondContact ND1-OE1 3.17Å; H370-Q374 PolarHBondContact O-N 3.37Å; C371-Q374 WeakPolarHBondContact O-CB 3.5Å; C371-Q374 PolarHBondContact O-N 3.45Å; Q374-F376 VanDerWaalsContact C-N 3.32Å; Q374-F376 PolarHBondContact O-N 3.48Å; Q374-D377 PolarHBondContact O-N 2.86Å; Q374-Y378 WeakPolarHBondContact O-CB 3.26Å; Q374-Y378 PolarHBondContact O-N 3.39Å; Q374-L442 HydrophobicContact CB-CD1 4.18Å; Q374-L442 HydrophobicContact CB-CD2 4.3Å; Q374-L442 HydrophobicContact CG-CD1 3.98Å
375L96.5Very high94.1Very high0 Ų014.6 Ų14.60%07%0.072CC..Hα-helixtrans-59.3-44.5175.1-66.4173.6000111.5L187 L190 L350 V351 Y354 C371 V372 S373 Y379L187-L375 HydrophobicContact CD1-CD2 3.95Å; L190-L375 HydrophobicContact CD2-CD2 3.98Å; L350-L375 HydrophobicContact CD2-CD1 3.68Å; L350-L375 HydrophobicContact CD2-CD2 3.73Å; L350-L375 HydrophobicContact CD2-CG 4.39Å; L350-L375 HydrophobicContact CG-CD1 3.97Å; V351-L375 HydrophobicContact CG2-CD1 4.16Å; Y354-L375 HydrophobicContact CD2-CD1 4.21Å; Y354-L375 HydrophobicContact CE2-CD1 3.8Å; Y354-L375 HydrophobicContact CE2-CG 4.47Å; C371-L375 PolarHBondContact O-N 2.98Å; C371-L375 VanDerWaalsContact O-N 3.13Å; V372-L375 PolarHBondContact O-N 3.34Å; S373-L375 PolarHBondContact O-N 3.34Å; L375-Y379 WeakPolarHBondContact O-CB 3.46Å; L375-Y379 PolarHBondContact O-N 3.01Å; L375-Y379 VanDerWaalsContact O-N 3.15Å
376F97.3Very high94.4Very high0 Ų015.3 Ų15.30%08%0.075CC..Hα-helixtrans-69.2-47178-173.4-87.6000112V372 S373 Q374 Y378 Y379 L380 L495 L498 A499 F502 F524 T528 V529 A532V372-F376 PolarHBondContact O-N 2.95Å; S373-F376 PolarHBondContact O-N 3.26Å; Q374-F376 VanDerWaalsContact C-N 3.32Å; Q374-F376 PolarHBondContact O-N 3.48Å; F376-Y378 VanDerWaalsContact C-N 3.3Å; F376-Y378 PolarHBondContact O-N 2.92Å; F376-Y379 PolarHBondContact O-N 2.81Å; F376-L380 HydrophobicContact CE1-CB 4.42Å; F376-L380 HydrophobicContact CE1-CD1 3.78Å; F376-L380 HydrophobicContact CZ-CD1 4.38Å; F376-L380 WeakPolarHBondContact O-CB 3.34Å; F376-L380 PolarHBondContact O-N 3.49Å; F376-L495 HydrophobicContact CE2-CD1 4.19Å; F376-L495 HydrophobicContact CZ-CD1 4.1Å; F376-L498 HydrophobicContact CD2-CD2 4.02Å; F376-L498 HydrophobicContact CD2-CG 4.06Å; F376-L498 HydrophobicContact CE2-CD2 4.38Å; F376-L498 HydrophobicContact CE2-CG 4.2Å; F376-A499 HydrophobicContact CE2-CB 3.94Å; F376-A499 HydrophobicContact CZ-CB 3.89Å; F376-F502 HydrophobicContact CB-CE1 3.88Å; F376-F502 HydrophobicContact CB-CE2 4.48Å; F376-F502 HydrophobicContact CB-CZ 3.84Å; F376-F502 HydrophobicContact CD2-CD1 4.33Å; F376-F502 AromaticContact CD2-CD2 4Å; F376-F502 HydrophobicContact CD2-CD2 4Å; F376-F502 HydrophobicContact CD2-CE1 4.31Å; F376-F502 AromaticContact CD2-CE2 4Å; F376-F502 HydrophobicContact CD2-CE2 4Å; F376-F502 HydrophobicContact CD2-CG 4.16Å; F376-F502 HydrophobicContact CD2-CZ 4.15Å; F376-F502 HydrophobicContact CG-CE1 4.37Å; F376-F502 HydrophobicContact CG-CZ 4.42Å; F376-F524 HydrophobicContact CB-CE2 4.34Å; F376-F524 HydrophobicContact CB-CZ 3.9Å; F376-F524 HydrophobicContact CD1-CE2 4.13Å; F376-F524 HydrophobicContact CD1-CZ 4.02Å; F376-F524 HydrophobicContact CG-CZ 4.04Å; F376-T528 HydrophobicContact CD1-CG2 3.8Å; F376-T528 HydrophobicContact CE1-CG2 3.76Å; F376-V529 HydrophobicContact CD1-CG2 4.37Å; F376-V529 HydrophobicContact CE1-CB 4.45Å; F376-V529 HydrophobicContact CE1-CG2 4.1Å; F376-V529 HydrophobicContact CZ-CB 4.35Å; F376-V529 HydrophobicContact CZ-CG1 4.28Å; F376-V529 HydrophobicContact CZ-CG2 4.25Å; F376-A532 HydrophobicContact CZ-CB 4.02Å
377D96.3Very high94.5Very high11 Ų1112.9 Ų12.96%0.0596%0.064CC..Hα-helixtrans-57.2-44.6179-84.512.5000110.6S373 Q374 Y381 R437 I438 L442 T528S373-D377 WeakPolarHBondContact O-CB 3.42Å; S373-D377 PolarHBondContact O-N 2.95Å; Q374-D377 PolarHBondContact O-N 2.86Å; D377-Y381 WeakPolarHBondContact O-CB 3.46Å; D377-Y381 PolarHBondContact O-N 3.44Å; D377-R437 IonicContact OD1-NH2 3.46Å; D377-R437 IonicContact OD2-NH2 3.81Å; D377-R437 PolarHBondContact OD2-NH2 2.88Å; D377-R437 VanDerWaalsContact OD2-NH2 3.13Å; D377-I438 HydrophobicContact CB-CD1 3.89Å; D377-I438 HydrophobicContact CB-CG1 3.85Å; D377-I438 HydrophobicContact CB-CG2 4.18Å; D377-L442 HydrophobicContact CB-CD2 4.04Å; D377-T528 WeakPolarHBondContact OD1-CG2 3.34Å
378Y96.7Very high94.2Very high0 Ų010.5 Ų10.50%05%0.052CC..Hα-helixtrans-64.9-45.8177.4-165.9-97.7000112.3L187 L190 R191 L194 Q374 F376 L380 Y381 A382 L442 I443 V465 P466 P468L187-Y378 HydrophobicContact CD1-CG 4.21Å; L190-Y378 HydrophobicContact CD2-CD1 4.29Å; L190-Y378 HydrophobicContact CG-CD1 4.38Å; R191-Y378 HydrophobicContact CB-CE1 3.87Å; R191-Y378 WeakPolarHBondContact CB-OH 3.4Å; R191-Y378 WeakPolarHBondContact CD-OH 3.25Å; R191-Y378 HydrophobicContact CG-CE1 4.47Å; R191-Y378 WeakPolarHBondContact CG-OH 3.12Å; L194-Y378 HydrophobicContact CD1-CD1 3.96Å; L194-Y378 HydrophobicContact CD1-CE1 3.97Å; Q374-Y378 WeakPolarHBondContact O-CB 3.26Å; Q374-Y378 PolarHBondContact O-N 3.39Å; F376-Y378 VanDerWaalsContact C-N 3.3Å; F376-Y378 PolarHBondContact O-N 2.92Å; Y378-L380 PolarHBondContact O-N 2.58Å; Y378-Y381 PolarHBondContact O-N 3.38Å; Y378-A382 WeakPolarHBondContact O-CB 3.37Å; Y378-A382 PolarHBondContact O-N 2.88Å; Y378-L442 HydrophobicContact CD2-CD2 4.31Å; Y378-I443 HydrophobicContact CD2-CD1 3.73Å; Y378-I443 HydrophobicContact CE2-CD1 3.73Å; Y378-V465 HydrophobicContact CD2-CB 4.48Å; Y378-V465 HydrophobicContact CD2-CG1 4.4Å; Y378-V465 HydrophobicContact CE2-CB 4Å; Y378-V465 HydrophobicContact CE2-CG1 3.63Å; Y378-P466 PolarHBondContact OH-O 3.5Å; Y378-P468 HydrophobicContact CE1-CB 4.39Å
379Y97.6Very high93.7Very high0 Ų013.4 Ų13.40%06%0.063CC..Hα-helixtrans-61.1-45.8178.2-164.7-72.1000111.5L190 L194 T341 T343 T344 V347 L375 F376 Y381 A382 V383 L495 L498L190-Y379 HydrophobicContact CD1-CD2 4.43Å; L194-Y379 HydrophobicContact CD1-CD2 4.4Å; L194-Y379 HydrophobicContact CD2-CD2 4.05Å; L194-Y379 HydrophobicContact CD2-CE2 3.81Å; T341-Y379 PolarHBondContact OG1-OH 3.35Å; T343-Y379 HydrophobicContact CG2-CE2 4.19Å; T344-Y379 PolarHBondContact OG1-OH 2.93Å; V347-Y379 HydrophobicContact CG2-CD2 4.15Å; L375-Y379 WeakPolarHBondContact O-CB 3.46Å; L375-Y379 PolarHBondContact O-N 3.01Å; L375-Y379 VanDerWaalsContact O-N 3.15Å; F376-Y379 PolarHBondContact O-N 2.81Å; Y379-Y381 PolarHBondContact O-N 2.8Å; Y379-A382 PolarHBondContact O-N 3.43Å; Y379-V383 HydrophobicContact CD1-CG2 3.9Å; Y379-V383 HydrophobicContact CE1-CG2 3.63Å; Y379-V383 WeakPolarHBondContact O-CG2 3.38Å; Y379-V383 PolarHBondContact O-N 3.44Å; Y379-L495 HydrophobicContact CD1-CB 4.27Å; Y379-L495 HydrophobicContact CD1-CD1 3.95Å; Y379-L495 HydrophobicContact CE1-CB 3.99Å; Y379-L498 HydrophobicContact CD1-CD2 4.27Å; Y379-L498 HydrophobicContact CD2-CD2 4.37Å; Y379-L498 HydrophobicContact CG-CD2 4.08Å
380L96.8Very high92.1Very high0 Ų017 Ų170%08%0.083CC..Hα-helixtrans-60.3-46.2177.3-177.4150000111.2F376 Y378 V383 Y384 L435 I438 L495 T528 A532 L535F376-L380 HydrophobicContact CE1-CB 4.42Å; F376-L380 HydrophobicContact CE1-CD1 3.78Å; F376-L380 HydrophobicContact CZ-CD1 4.38Å; F376-L380 WeakPolarHBondContact O-CB 3.34Å; F376-L380 PolarHBondContact O-N 3.49Å; Y378-L380 PolarHBondContact O-N 2.58Å; L380-V383 PolarHBondContact O-N 3.4Å; L380-Y384 PolarHBondContact O-N 3.46Å; L380-L435 HydrophobicContact CD2-CD2 3.72Å; L380-I438 HydrophobicContact CD2-CD1 4.12Å; L380-L495 HydrophobicContact CB-CD1 4.1Å; L380-L495 HydrophobicContact CB-CD2 4.35Å; L380-L495 HydrophobicContact CG-CD2 4.18Å; L380-T528 HydrophobicContact CD1-CG2 4.26Å; L380-A532 HydrophobicContact CD1-CB 4.21Å; L380-L535 HydrophobicContact CD2-CD1 4.26Å; L380-L535 HydrophobicContact CG-CD1 3.94Å
381Y95.6Very high90Very high0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-66.1-36.4178.7-176.6-94.5000112.5D377 Y378 Y379 Y384 T385 R389 L435 I438 Q439 I443 P468D377-Y381 WeakPolarHBondContact O-CB 3.46Å; D377-Y381 PolarHBondContact O-N 3.44Å; Y378-Y381 PolarHBondContact O-N 3.38Å; Y379-Y381 PolarHBondContact O-N 2.8Å; Y381-Y384 PolarHBondContact O-N 2.83Å; Y381-T385 WeakPolarHBondContact CE1-OG1 3.34Å; Y381-T385 VanDerWaalsContact O-CB 3.28Å; Y381-T385 WeakPolarHBondContact O-CB 3.28Å; Y381-T385 PolarHBondContact O-N 2.91Å; Y381-T385 PolarHBondContact O-OG1 2.79Å; Y381-R389 PolarHBondContact OH-NH2 3.44Å; Y381-L435 HydrophobicContact CD2-CD2 4.21Å; Y381-I438 HydrophobicContact CD2-CG2 4.21Å; Y381-I438 HydrophobicContact CG-CG2 4.1Å; Y381-Q439 HydrophobicContact CE2-CB 3.93Å; Y381-Q439 HydrophobicContact CE2-CG 4.3Å; Y381-Q439 PolarHBondContact OH-OE1 3.08Å; Y381-I443 HydrophobicContact CD1-CD1 3.61Å; Y381-I443 HydrophobicContact CD1-CG1 3.78Å; Y381-I443 HydrophobicContact CE1-CB 4.44Å; Y381-I443 HydrophobicContact CE1-CD1 3.86Å; Y381-I443 HydrophobicContact CE1-CG1 3.65Å; Y381-I443 HydrophobicContact CE1-CG2 4.08Å; Y381-I443 HydrophobicContact CG-CD1 4.29Å; Y381-I443 HydrophobicContact CG-CG1 4.26Å; Y381-P468 HydrophobicContact CD1-CG 4.26Å
382A95.4Very high87.2Confident0 Ų023.8 Ų23.80%012%0.119CC..Hα-helixtrans-62.8-50.6174.700000111.6L194 Y378 Y379 Y384 T385 F386 P468L194-A382 HydrophobicContact CD1-CB 3.82Å; Y378-A382 WeakPolarHBondContact O-CB 3.37Å; Y378-A382 PolarHBondContact O-N 2.88Å; Y379-A382 PolarHBondContact O-N 3.43Å; A382-Y384 VanDerWaalsContact C-N 3.31Å; A382-Y384 PolarHBondContact O-N 3.34Å; A382-T385 PolarHBondContact O-N 3.39Å; A382-T385 VanDerWaalsContact O-N 3.08Å; A382-F386 HydrophobicContact CB-CE2 4.17Å; A382-F386 HydrophobicContact CB-CZ 4.19Å; A382-F386 WeakPolarHBondContact O-CB 3.34Å; A382-F386 WeakPolarHBondContact O-CD1 3.33Å; A382-F386 WeakPolarHBondContact O-CD2 3.33Å; A382-F386 WeakPolarHBondContact O-CG 3.32Å; A382-F386 PolarHBondContact O-N 3.3Å; A382-P468 HydrophobicContact CB-CB 4.02Å; A382-P468 HydrophobicContact CB-CG 3.73Å
383V96.3Very high84.1Confident0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-58.8-43177.4172.40000111.4W199 Y379 L380 F387 A491 L495 I539W199-V383 HydrophobicContact CH2-CG2 3.93Å; W199-V383 HydrophobicContact CZ3-CG2 4.33Å; Y379-V383 HydrophobicContact CD1-CG2 3.9Å; Y379-V383 HydrophobicContact CE1-CG2 3.63Å; Y379-V383 WeakPolarHBondContact O-CG2 3.38Å; Y379-V383 PolarHBondContact O-N 3.44Å; L380-V383 PolarHBondContact O-N 3.4Å; V383-F387 HydrophobicContact CG1-CD2 4.44Å; V383-F387 PolarHBondContact O-N 2.92Å; V383-A491 HydrophobicContact CG1-CB 4.44Å; V383-L495 HydrophobicContact CB-CD2 4.09Å; V383-L495 HydrophobicContact CG1-CD2 4.09Å; V383-L495 HydrophobicContact CG2-CB 4.41Å; V383-L495 HydrophobicContact CG2-CD2 4.37Å; V383-I539 HydrophobicContact CG1-CD1 3.83Å
384Y94.1Very high80.9Confident38 Ų3834.7 Ų34.715%0.14919%0.187CC..Iπ-helixtrans-61.2-45.8173.7170.7-107.2000112.3L380 Y381 A382 F386 G388 R389 I427 L435 L535L380-Y384 PolarHBondContact O-N 3.46Å; Y381-Y384 PolarHBondContact O-N 2.83Å; A382-Y384 VanDerWaalsContact C-N 3.31Å; A382-Y384 PolarHBondContact O-N 3.34Å; Y384-F386 PolarHBondContact O-N 3.17Å; Y384-G388 CarbonylContact O-C 3.37Å; Y384-G388 WeakPolarHBondContact O-CA 3.47Å; Y384-G388 PolarHBondContact O-N 3.48Å; Y384-R389 HydrophobicContact CE1-CG 3.95Å; Y384-R389 PolarHBondContact O-N 3.44Å; Y384-I427 HydrophobicContact CE2-CD1 3.76Å; Y384-L435 HydrophobicContact CD1-CD1 3.83Å; Y384-L435 HydrophobicContact CD1-CD2 3.66Å; Y384-L435 HydrophobicContact CD1-CG 4.3Å; Y384-L435 HydrophobicContact CD2-CD1 3.77Å; Y384-L435 HydrophobicContact CD2-CD2 4.46Å; Y384-L435 HydrophobicContact CE1-CD1 3.78Å; Y384-L435 HydrophobicContact CE1-CD2 4.33Å; Y384-L435 HydrophobicContact CE2-CD1 3.73Å; Y384-L435 HydrophobicContact CG-CD1 3.81Å; Y384-L435 HydrophobicContact CG-CD2 3.72Å; Y384-L435 HydrophobicContact CG-CG 4.43Å; Y384-L535 HydrophobicContact CD2-CD2 3.62Å; Y384-L535 HydrophobicContact CG-CD2 4.12Å
385T92.2Very high77.6Confident24 Ų2438.8 Ų38.815%0.14722%0.216CC..Iπ-helixtrans-64.8-40.4-178.6-64.30000111.8Y381 A382Y381-T385 WeakPolarHBondContact CE1-OG1 3.34Å; Y381-T385 VanDerWaalsContact O-CB 3.28Å; Y381-T385 WeakPolarHBondContact O-CB 3.28Å; Y381-T385 PolarHBondContact O-N 2.91Å; Y381-T385 PolarHBondContact O-OG1 2.79Å; A382-T385 PolarHBondContact O-N 3.39Å; A382-T385 VanDerWaalsContact O-N 3.08Å
386F93.1Very high74.1Confident17 Ų1743.9 Ų43.98%0.07525%0.252CS..Iπ-helixtrans-73.7-42.2-177.3-65.7-7.7000113.2L194 W199 A382 Y384 P468 H469 L470L194-F386 HydrophobicContact CB-CE2 4.31Å; L194-F386 HydrophobicContact CB-CZ 4.49Å; W199-F386 HydrophobicContact CH2-CD2 4.47Å; W199-F386 AromaticContact CZ2-CD2 3.59Å; W199-F386 HydrophobicContact CZ2-CD2 3.59Å; W199-F386 AromaticContact CZ2-CE2 3.82Å; W199-F386 HydrophobicContact CZ2-CE2 3.82Å; A382-F386 HydrophobicContact CB-CE2 4.17Å; A382-F386 HydrophobicContact CB-CZ 4.19Å; A382-F386 WeakPolarHBondContact O-CB 3.34Å; A382-F386 WeakPolarHBondContact O-CD1 3.33Å; A382-F386 WeakPolarHBondContact O-CD2 3.33Å; A382-F386 WeakPolarHBondContact O-CG 3.32Å; A382-F386 PolarHBondContact O-N 3.3Å; Y384-F386 PolarHBondContact O-N 3.17Å; F386-P468 HydrophobicContact CE1-CB 3.73Å; F386-P468 HydrophobicContact CE1-CG 4.22Å; F386-P468 HydrophobicContact CZ-CB 3.71Å; F386-P468 HydrophobicContact CZ-CG 4.49Å; F386-H469 WeakPolarHBondContact CE1-O 3.49Å; F386-H469 VanDerWaalsContact CZ-O 3.31Å; F386-H469 WeakPolarHBondContact CZ-O 3.2Å; F386-L470 HydrophobicContact CB-CB 4.47Å; F386-L470 HydrophobicContact CB-CD1 4.07Å; F386-L470 HydrophobicContact CD1-CB 3.98Å; F386-L470 HydrophobicContact CD2-CD1 4.04Å; F386-L470 HydrophobicContact CE1-CB 4.44Å; F386-L470 HydrophobicContact CG-CB 4.17Å; F386-L470 HydrophobicContact CG-CD1 4Å
387F92.3Very high70.8Confident1 Ų149.6 Ų49.60%0.00429%0.289CS..Iπ-helixtrans-120.9-17.1-167.4-58.9-77.2000114.2W199 V383 L470 V474 L476 Q487 R488 A491 I539 I542W199-F387 AromaticContact CD1-CZ 3.86Å; W199-F387 HydrophobicContact CD2-CE2 4.04Å; W199-F387 HydrophobicContact CD2-CZ 4.02Å; W199-F387 AromaticContact CE2-CE2 3.69Å; W199-F387 AromaticContact CE2-CZ 3.84Å; W199-F387 HydrophobicContact CG-CZ 4.02Å; W199-F387 HydrophobicContact CH2-CE2 4.37Å; W199-F387 AromaticContact CZ2-CE2 3.9Å; W199-F387 HydrophobicContact CZ2-CE2 3.9Å; W199-F387 HydrophobicContact CZ2-CZ 4.49Å; W199-F387 AromaticContact NE1-CZ 3.74Å; V383-F387 HydrophobicContact CG1-CD2 4.44Å; V383-F387 PolarHBondContact O-N 2.92Å; F387-L470 HydrophobicContact CZ-CD1 4.23Å; F387-V474 HydrophobicContact CE1-CG1 4.46Å; F387-L476 HydrophobicContact CD1-CD1 3.9Å; F387-L476 HydrophobicContact CD1-CD2 4.18Å; F387-L476 HydrophobicContact CE1-CD1 4.05Å; F387-L476 HydrophobicContact CE1-CD2 3.85Å; F387-Q487 HydrophobicContact CE1-CB 4.26Å; F387-Q487 HydrophobicContact CZ-CB 4.49Å; F387-R488 HydrophobicContact CB-CG 4.44Å; F387-R488 HydrophobicContact CD1-CB 4.47Å; F387-R488 HydrophobicContact CD1-CG 3.55Å; F387-R488 HydrophobicContact CE1-CG 4.15Å; F387-R488 HydrophobicContact CG-CG 4.28Å; F387-R488 PolarHBondContact O-NH1 3.26Å; F387-A491 HydrophobicContact CD2-CB 3.71Å; F387-A491 HydrophobicContact CE2-CB 3.32Å; F387-A491 HydrophobicContact CZ-CB 3.91Å; F387-I539 HydrophobicContact CB-CB 4.47Å; F387-I539 HydrophobicContact CB-CD1 4.06Å; F387-I539 HydrophobicContact CB-CG1 3.89Å; F387-I539 HydrophobicContact CB-CG2 3.89Å; F387-I542 VanDerWaalsContact O-CD1 3.25Å; F387-I542 WeakPolarHBondContact O-CD1 3.42Å
388G84.9Confident67.5Low3 Ų354.4 Ų54.43%0.03132%0.323CS..Iπ-helixtrans-111.5-14.5-172.800000116Y384Y384-G388 CarbonylContact O-C 3.37Å; Y384-G388 WeakPolarHBondContact O-CA 3.47Å; Y384-G388 PolarHBondContact O-N 3.48Å
389R79.9Confident64.1Low63 Ų6362.1 Ų62.124%0.23836%0.364CS..  trans-72.6130.9171.8-91.1-173.6168140.33.1110.2Y381 Y384 D391Y381-R389 PolarHBondContact OH-NH2 3.44Å; Y384-R389 HydrophobicContact CE1-CG 3.95Å; Y384-R389 PolarHBondContact O-N 3.44Å; R389-D391 PolarHBondContact O-N 3.29Å
390N59.2Low60.7Low80 Ų8067.5 Ų67.543%0.42840%0.399SS..  trans-78.62.9179.2-84.6-7.5000114.1M392 S421N390-M392 PolarHBondContact O-N 3.13Å; N390-S421 PolarHBondContact ND2-OG 3.15Å
391D46.7Very low57.5Low139 Ų13974.2 Ų74.274%0.74344%0.44SS*.  trans-83.659179.9-62.8-32.8000111.4R389R389-D391 PolarHBondContact O-N 3.29Å
392M36.9Very low54.3Low82 Ų8285 Ų8540%0.40448%0.482SS..PPolyproline II helixtrans-88.8120.2163.6-77.8-64.8-69.400108.4N390 V394 T477N390-M392 PolarHBondContact O-N 3.13Å; M392-V394 PolarHBondContact O-N 3.49Å; M392-V394 VanDerWaalsContact O-N 3.08Å; M392-T477 HydrophobicContact CE-CG2 3.9Å
393P28.3Very low51.1Low114 Ų11490.4 Ų90.474%0.7452%0.52SS*.PPolyproline II helixtrans-61.5117.1177.423.3-29.9000108.9
394V28.2Very low48Very low127 Ų12794 Ų9477%0.7756%0.556SS**PPolyproline II helixtrans-59131.2163.9-177.60000106.3M392 S396M392-V394 PolarHBondContact O-N 3.49Å; M392-V394 VanDerWaalsContact O-N 3.08Å; V394-S396 PolarHBondContact O-N 3.39Å
395P25.3Very low44.7Very low116 Ų116104.2 Ų104.275%0.75360%0.595SS**  trans-59.1114.6174.9-9.520.3000107.7P397P395-P397 WeakPolarHBondContact O-CD 3.47Å
396S23.1Very low42Very low107 Ų107112.7 Ų112.775%0.74863%0.633SS**  trans-60.5125.2168.230.60000107.6V394 S398V394-S396 PolarHBondContact O-N 3.39Å; S396-S398 PolarHBondContact O-N 3.31Å; S396-S398 VanDerWaalsContact O-N 3.08Å
397P29.2Very low38.7Very low120 Ų120116.4 Ų116.478%0.77967%0.667SS**  trans-63.7119171.321.9-25.3000107.3P395 L399P395-P397 WeakPolarHBondContact O-CD 3.47Å; P397-L399 PolarHBondContact O-N 3.21Å; P397-L399 VanDerWaalsContact O-N 3.09Å
398S25.4Very low35.5Very low112 Ų112122.8 Ų122.878%0.78371%0.705SS**  trans-46.5114.8172.348.90000110.2S396 P400S396-S398 PolarHBondContact O-N 3.31Å; S396-S398 VanDerWaalsContact O-N 3.08Å; S398-P400 WeakPolarHBondContact O-CD 3.49Å
399L25.9Very low32.7Very low162 Ų162128.5 Ų128.585%0.84874%0.742SS**  trans-63.4124.3168.8-87.3145.5000109P397P397-L399 PolarHBondContact O-N 3.21Å; P397-L399 VanDerWaalsContact O-N 3.09Å
400P27.2Very low30Very low113 Ų113129.7 Ų129.773%0.73477%0.766SS**  trans-72.3129.1160.416.9-7.4000108.6S398 Y402S398-P400 WeakPolarHBondContact O-CD 3.49Å; P400-Y402 PolarHBondContact O-N 3.44Å; P400-Y402 VanDerWaalsContact O-N 3.15Å
401T28.7Very low28.4Very low140 Ų140137.2 Ų137.286%0.85979%0.788SS**  trans-64.7107.7173.6-21.10000108.7
402Y28.6Very low27.3Very low227 Ų227137 Ų13789%0.8979%0.792SS**  trans-142.8128.6159.7-109.1-85.8000110.9P400P400-Y402 PolarHBondContact O-N 3.44Å; P400-Y402 VanDerWaalsContact O-N 3.15Å
403S28.6Very low26.8Very low114 Ų114139.7 Ų139.780%0.79781%0.812SS**  trans-72.9133.7-174.850.20000113.8
404G29.7Very low26.6Very low74 Ų74136.1 Ų136.176%0.76380%0.796SS**  trans79.298.414000000119.1
405R26.3Very low26.8Very low253 Ų253135.1 Ų135.196%0.95579%0.792SS**  176142.4123.3-99.2172.9-179.9179.60.8110.7A407R405-A407 PolarHBondContact O-N 3.36Å
406E34.5Very low27Very low202 Ų202133.8 Ų133.894%0.94479%0.791SS**  trans-53125.5-178.8-65.7171.8138.900112.8
407A24.8Very low27.4Very low96 Ų96134.5 Ų134.579%0.79380%0.795SS**  trans-149.6127.5162.500000110.6R405R405-A407 PolarHBondContact O-N 3.36Å
408V24.7Very low27.9Very low134 Ų134133 Ų13381%0.81278%0.779SS**  trans-23.4138.4172.1-172.30000115.2A410V408-A410 PolarHBondContact O-N 3.34Å
409P26.2Very low28.9Very low124 Ų124131.8 Ų131.881%0.80576%0.758SS**  trans-69.4103.4177.828.7-32000110.3R411P409-R411 PolarHBondContact O-N 3.1Å
410A23.5Very low29.4Very low88 Ų88131.3 Ų131.373%0.72775%0.751SS**  trans-64.7117.2159.700000107.8V408 V412V408-A410 PolarHBondContact O-N 3.34Å; A410-V412 PolarHBondContact O-N 2.88Å
411R24.5Very low29.9Very low238 Ų238128.7 Ų128.790%0.89874%0.736SS**  trans-58.499.2169.4-88.4179.8166.8177.3-4.7108.7P409 V413P409-R411 PolarHBondContact O-N 3.1Å; R411-V413 PolarHBondContact O-N 3.13Å; R411-V413 VanDerWaalsContact O-N 3.12Å
412V23.7Very low30.2Very low135 Ų135127.2 Ų127.282%0.81873%0.732SS**  trans-68.6102.1162.8178.20000106.4A410 G414A410-V412 PolarHBondContact O-N 2.88Å; V412-G414 PolarHBondContact O-N 2.99Å
413V27.1Very low30.8Very low137 Ų137118.9 Ų118.983%0.8372%0.715SS**  trans-77.283.9167.2-179.50000106.2R411R411-V413 PolarHBondContact O-N 3.13Å; R411-V413 VanDerWaalsContact O-N 3.12Å
414G23.8Very low31.9Very low39 Ų39115.4 Ų115.440%0.40269%0.687SS.*  trans-88.3167.7170.700000112.4V412 A416V412-G414 PolarHBondContact O-N 2.99Å; G414-A416 PolarHBondContact O-N 2.99Å
415P32.3Very low33.5Very low106 Ų106114.4 Ų114.469%0.68868%0.676SS**G310 helixtrans-8129.1-148.735.3-39.7000115.6C417P415-C417 VanDerWaalsContact C-N 3.27Å; P415-C417 PolarHBondContact O-N 2.77Å
416A29.4Very low35.7Very low88 Ų88103.1 Ų103.173%0.72764%0.635SS**G310 helixtrans-74.2-16.3-179.300000113.6G414G414-A416 PolarHBondContact O-N 2.99Å
417C32.4Very low38.1Very low123 Ų12395 Ų9583%0.83160%0.598SS**G310 helixtrans-89.7-12.1-169-155.40000114.6P415P415-C417 VanDerWaalsContact C-N 3.27Å; P415-C417 PolarHBondContact O-N 2.77Å
418L38.6Very low41.1Very low87 Ų8792.1 Ų92.146%0.45557%0.572SS.*SBendtrans-88.5-13.5-178-81.3163.9000114.2L554 E620L418-L554 HydrophobicContact CD1-CD1 4Å; L418-L554 HydrophobicContact CD2-CD1 4.18Å; L418-E620 HydrophobicContact CD2-CG 4.11Å
419Y47.3Very low44Very low88 Ų8890.6 Ų90.635%0.34557%0.567SS.*  trans-136.339.1-163.9-68.6-85.9000113.6S421 W541 A545 L613Y419-S421 PolarHBondContact O-N 3.41Å; Y419-W541 HydrophobicContact CD1-CZ2 4.04Å; Y419-W541 HydrophobicContact CE1-CZ2 4.04Å; Y419-A545 HydrophobicContact CE1-CB 3.99Å; Y419-L613 HydrophobicContact CE1-CD2 3.8Å
420E36.2Very low47Very low151 Ų15190 Ų9071%0.70655%0.549SS*.  trans-61104.4165.3-87.4-177.3166.100109.4S422 G423E420-S422 PolarHBondContact O-N 3.31Å; E420-G423 PolarHBondContact O-N 2.95Å; E420-G423 VanDerWaalsContact O-N 3.17Å
421S36.6Very low50.2Low59 Ų5985.8 Ų85.841%0.41351%0.514SS..G310 helixtrans-48-17.6174-74.90000114.2N390 Y419 G423N390-S421 PolarHBondContact ND2-OG 3.15Å; Y419-S421 PolarHBondContact O-N 3.41Å; S421-G423 PolarHBondContact O-N 3.12Å
422S36Very low53.4Low109 Ų10980.9 Ų80.976%0.76250%0.496SS*.G310 helixtrans-68.6-27.8-178.8-49.70000113.6E420E420-S422 PolarHBondContact O-N 3.31Å
423G41.1Very low56.6Low52 Ų5278.9 Ų78.954%0.53648%0.484SS..G310 helixtrans-96.3-2.3-172.800000116.7E420 S421 R616E420-G423 PolarHBondContact O-N 2.95Å; E420-G423 VanDerWaalsContact O-N 3.17Å; S421-G423 PolarHBondContact O-N 3.12Å; G423-R616 PolarHBondContact O-NH2 2.81Å
424L51.5Low59.7Low40 Ų4072.5 Ų72.521%0.20945%0.445CS..THydrogen-bonded Turntrans-111.4-11.4-178-81.2152.9000114.2L426 W541 R616L424-L426 HydrophobicContact CB-CD1 4.47Å; L424-L426 HydrophobicContact CB-CD2 4.04Å; L424-L426 HydrophobicContact CB-CG 3.8Å; L424-L426 PolarHBondContact O-N 2.93Å; L424-L426 VanDerWaalsContact O-N 3.14Å; L424-W541 HydrophobicContact CD1-CH2 3.19Å; L424-W541 HydrophobicContact CD1-CZ2 3.25Å; L424-W541 HydrophobicContact CD1-CZ3 4Å; L424-W541 HydrophobicContact CD2-CH2 3.95Å; L424-W541 HydrophobicContact CD2-CZ3 4.12Å; L424-W541 HydrophobicContact CG-CH2 4.2Å; L424-R616 VanDerWaalsContact CG-NH1 3.29Å
425G62.4Low63Low53 Ų5371 Ų7155%0.54643%0.428SS..  trans54.533.4-178.900000113.4I427G425-I427 PolarHBondContact O-N 2.98Å
426L74.2Confident65.8Low16 Ų1669.6 Ų69.68%0.08442%0.415CS..  trans-57.4-35.1-174.1-66.2174000112.4L424 W541L424-L426 HydrophobicContact CB-CD1 4.47Å; L424-L426 HydrophobicContact CB-CD2 4.04Å; L424-L426 HydrophobicContact CB-CG 3.8Å; L424-L426 PolarHBondContact O-N 2.93Å; L424-L426 VanDerWaalsContact O-N 3.14Å; L426-W541 HydrophobicContact CD1-CB 4.2Å; L426-W541 HydrophobicContact CD1-CD2 3.85Å; L426-W541 HydrophobicContact CD1-CG 3.57Å; L426-W541 HydrophobicContact CD2-CB 4.12Å; L426-W541 HydrophobicContact CD2-CD2 3.84Å; L426-W541 HydrophobicContact CD2-CE3 3.86Å; L426-W541 HydrophobicContact CD2-CG 3.95Å; L426-W541 HydrophobicContact CG-CD2 4.5Å; L426-W541 HydrophobicContact CG-CG 4.43Å
427I83.9Confident68.9Low32 Ų3268.8 Ų68.816%0.16439%0.393CS..SBendtrans-113122.2174.6-58.1176000106.9Y384 G425 L431 R432 P538Y384-I427 HydrophobicContact CE2-CD1 3.76Å; G425-I427 PolarHBondContact O-N 2.98Å; I427-L431 HydrophobicContact CG2-CB 3.96Å; I427-L431 HydrophobicContact CG2-CD2 3.87Å; I427-L431 HydrophobicContact CG2-CG 3.83Å; I427-R432 HydrophobicContact CG2-CB 3.95Å; I427-P538 HydrophobicContact CG1-CB 4.09Å; I427-P538 HydrophobicContact CG1-CG 4.16Å
428S87.4Confident71.8Confident35 Ų3562.9 Ų62.925%0.24535%0.353CS..  trans-64.5157.7175.374.10000111.3R430 L431 R432 E534S428-R430 PolarHBondContact O-N 3.28Å; S428-R430 PolarHBondContact OG-N 3.21Å; S428-L431 PolarHBondContact O-N 2.88Å; S428-L431 WeakPolarHBondContact OG-CB 3.33Å; S428-L431 PolarHBondContact OG-N 2.93Å; S428-R432 WeakPolarHBondContact O-CB 3.4Å; S428-R432 PolarHBondContact O-N 3.47Å; S428-E534 WeakPolarHBondContact CB-OE2 3.47Å; S428-E534 PolarHBondContact OG-OE2 3.26Å
429S86.8Confident74.3Confident102 Ų10261.7 Ų61.771%0.71335%0.345SS*.Hα-helixtrans-56.7-35.7172.853.40000111.6T433S429-T433 WeakPolarHBondContact O-CB 3.43Å; S429-T433 PolarHBondContact O-N 2.91Å; S429-T433 PolarHBondContact O-OG1 3.1Å
430R89.1Confident76.3Confident112 Ų11264.3 Ų64.342%0.42336%0.36SS..Hα-helixtrans-63.9-56.4176.1-174.1173.659.1170.51111.4S428 R432 T433 T434 S530 T531 E534S428-R430 PolarHBondContact O-N 3.28Å; S428-R430 PolarHBondContact OG-N 3.21Å; R430-R432 VanDerWaalsContact C-N 3.28Å; R430-R432 PolarHBondContact O-N 3.35Å; R430-T433 WeakPolarHBondContact O-CB 3.47Å; R430-T433 PolarHBondContact O-N 3.3Å; R430-T434 PolarHBondContact O-N 3.45Å; R430-T434 PolarHBondContact O-OG1 3.45Å; R430-S530 PolarHBondContact NH1-OG 3.14Å; R430-T531 HydrophobicContact CG-CG2 3.8Å; R430-E534 IonicContact CZ-OE1 3.22Å; R430-E534 IonicContact NE-OE1 2.81Å; R430-E534 PolarHBondContact NE-OE1 2.88Å; R430-E534 IonicContact NH2-OE1 2.85Å; R430-E534 PolarHBondContact NH2-OE1 2.81Å
431L90.1Very high78.9Confident0 Ų060.5 Ų60.50%035%0.35CS..Hα-helixtrans-59.2-41.1179.717660.7000111.4I427 S428 T433 T434 L435 E534 L535I427-L431 HydrophobicContact CG2-CB 3.96Å; I427-L431 HydrophobicContact CG2-CD2 3.87Å; I427-L431 HydrophobicContact CG2-CG 3.83Å; S428-L431 PolarHBondContact O-N 2.88Å; S428-L431 WeakPolarHBondContact OG-CB 3.33Å; S428-L431 PolarHBondContact OG-N 2.93Å; L431-T433 VanDerWaalsContact C-N 3.34Å; L431-T433 PolarHBondContact O-N 3.05Å; L431-T434 PolarHBondContact O-N 3.19Å; L431-L435 HydrophobicContact CD1-CD1 4.07Å; L431-L435 HydrophobicContact CD1-CG 4.06Å; L431-L435 HydrophobicContact CG-CD1 3.96Å; L431-L435 HydrophobicContact CG-CG 4.4Å; L431-L435 WeakPolarHBondContact O-CB 3.46Å; L431-L435 VanDerWaalsContact O-CG 3.3Å; L431-L435 WeakPolarHBondContact O-CG 3.42Å; L431-L435 PolarHBondContact O-N 3.02Å; L431-E534 HydrophobicContact CD2-CB 3.99Å; L431-L535 HydrophobicContact CD1-CD2 4.31Å; L431-L535 HydrophobicContact CD1-CG 4.4Å; L431-L535 HydrophobicContact CD2-CD2 3.92Å; L431-L535 HydrophobicContact CD2-CG 4.31Å
432R91.1Very high81.5Confident135 Ų13557.8 Ų57.851%0.50933%0.331SS..Hα-helixtrans-59.8-44.2174.9-173.3177.2-61.9-170.50.6112.1I427 S428 R430 L435 N436I427-R432 HydrophobicContact CG2-CB 3.95Å; S428-R432 WeakPolarHBondContact O-CB 3.4Å; S428-R432 PolarHBondContact O-N 3.47Å; R430-R432 VanDerWaalsContact C-N 3.28Å; R430-R432 PolarHBondContact O-N 3.35Å; R432-L435 PolarHBondContact O-N 3.48Å; R432-N436 WeakPolarHBondContact O-CB 3.39Å; R432-N436 VanDerWaalsContact O-CG 3.27Å; R432-N436 PolarHBondContact O-N 3.48Å
433T91Very high84.2Confident93 Ų9352.7 Ų52.757%0.57130%0.296SS*.Hα-helixtrans-64.1-42.6177.8-55.90000111S429 R430 L431 N436 R437S429-T433 WeakPolarHBondContact O-CB 3.43Å; S429-T433 PolarHBondContact O-N 2.91Å; S429-T433 PolarHBondContact O-OG1 3.1Å; R430-T433 WeakPolarHBondContact O-CB 3.47Å; R430-T433 PolarHBondContact O-N 3.3Å; L431-T433 VanDerWaalsContact C-N 3.34Å; L431-T433 PolarHBondContact O-N 3.05Å; T433-N436 PolarHBondContact O-N 3.38Å; T433-R437 WeakPolarHBondContact O-CB 3.39Å; T433-R437 PolarHBondContact O-N 3.25Å
434T93Very high86.4Confident3 Ų352.3 Ų52.32%0.01828%0.281CS..Hα-helixtrans-61.7-48.2176.2-570000111.6R430 L431 N436 R437 I438 Q527 T528R430-T434 PolarHBondContact O-N 3.45Å; R430-T434 PolarHBondContact O-OG1 3.45Å; L431-T434 PolarHBondContact O-N 3.19Å; T434-N436 PolarHBondContact O-N 2.89Å; T434-R437 WeakPolarHBondContact O-CB 3.29Å; T434-R437 PolarHBondContact O-N 3.13Å; T434-I438 HydrophobicContact CG2-CD1 3.95Å; T434-I438 VanDerWaalsContact O-CG1 3.28Å; T434-I438 WeakPolarHBondContact O-CG1 3.14Å; T434-I438 PolarHBondContact O-N 2.98Å; T434-Q527 PolarHBondContact OG1-O 3.43Å; T434-T528 HydrophobicContact CG2-CG2 3.88Å
435L92.6Very high87.6Confident6 Ų654.6 Ų54.63%0.03129%0.292CS..Hα-helixtrans-61.6-42.8178.4-70.5168.9000112.2L380 Y381 Y384 L431 R432 I438 Q439L380-L435 HydrophobicContact CD2-CD2 3.72Å; Y381-L435 HydrophobicContact CD2-CD2 4.21Å; Y384-L435 HydrophobicContact CD1-CD1 3.83Å; Y384-L435 HydrophobicContact CD1-CD2 3.66Å; Y384-L435 HydrophobicContact CD1-CG 4.3Å; Y384-L435 HydrophobicContact CD2-CD1 3.77Å; Y384-L435 HydrophobicContact CD2-CD2 4.46Å; Y384-L435 HydrophobicContact CE1-CD1 3.78Å; Y384-L435 HydrophobicContact CE1-CD2 4.33Å; Y384-L435 HydrophobicContact CE2-CD1 3.73Å; Y384-L435 HydrophobicContact CG-CD1 3.81Å; Y384-L435 HydrophobicContact CG-CD2 3.72Å; Y384-L435 HydrophobicContact CG-CG 4.43Å; L431-L435 HydrophobicContact CD1-CD1 4.07Å; L431-L435 HydrophobicContact CD1-CG 4.06Å; L431-L435 HydrophobicContact CG-CD1 3.96Å; L431-L435 HydrophobicContact CG-CG 4.4Å; L431-L435 WeakPolarHBondContact O-CB 3.46Å; L431-L435 VanDerWaalsContact O-CG 3.3Å; L431-L435 WeakPolarHBondContact O-CG 3.42Å; L431-L435 PolarHBondContact O-N 3.02Å; R432-L435 PolarHBondContact O-N 3.48Å; L435-I438 PolarHBondContact O-N 2.9Å; L435-Q439 WeakPolarHBondContact O-CB 3.28Å; L435-Q439 PolarHBondContact O-N 3.08Å
436N91.4Very high87.7Confident78 Ų7858.2 Ų58.242%0.41730%0.299SS..Hα-helixtrans-63.7-44176-72.5-8.4000111.5R432 T433 T434 I438 Q439 E440R432-N436 WeakPolarHBondContact O-CB 3.39Å; R432-N436 VanDerWaalsContact O-CG 3.27Å; R432-N436 PolarHBondContact O-N 3.48Å; T433-N436 PolarHBondContact O-N 3.38Å; T434-N436 PolarHBondContact O-N 2.89Å; N436-I438 VanDerWaalsContact C-N 3.34Å; N436-I438 PolarHBondContact O-N 3.07Å; N436-Q439 PolarHBondContact O-N 3.47Å; N436-E440 WeakPolarHBondContact O-CB 3.48Å; N436-E440 WeakPolarHBondContact O-CG 3.24Å; N436-E440 PolarHBondContact O-N 3.45Å
437R93.6Very high86.8Confident70 Ų7061.3 Ų61.326%0.26432%0.32SS..Hα-helixtrans-57.2-48.3176-173.7-163.572.6-143.2-3.2110.9D377 T433 T434 E440 S441 T528D377-R437 IonicContact OD1-NH2 3.46Å; D377-R437 IonicContact OD2-NH2 3.81Å; D377-R437 PolarHBondContact OD2-NH2 2.88Å; D377-R437 VanDerWaalsContact OD2-NH2 3.13Å; T433-R437 WeakPolarHBondContact O-CB 3.39Å; T433-R437 PolarHBondContact O-N 3.25Å; T434-R437 WeakPolarHBondContact O-CB 3.29Å; T434-R437 PolarHBondContact O-N 3.13Å; R437-E440 PolarHBondContact O-N 3.42Å; R437-S441 WeakPolarHBondContact O-CB 3.19Å; R437-S441 PolarHBondContact O-N 2.72Å; R437-S441 PolarHBondContact O-OG 3.45Å; R437-T528 PolarHBondContact NH2-OG1 3.27Å
438I93.5Very high85Confident0 Ų066.3 Ų66.30%035%0.352CS..Hα-helixtrans-61.7-45.5179-64.3165.9000110.6D377 L380 Y381 T434 L435 N436 E440 S441 L442 I443D377-I438 HydrophobicContact CB-CD1 3.89Å; D377-I438 HydrophobicContact CB-CG1 3.85Å; D377-I438 HydrophobicContact CB-CG2 4.18Å; L380-I438 HydrophobicContact CD2-CD1 4.12Å; Y381-I438 HydrophobicContact CD2-CG2 4.21Å; Y381-I438 HydrophobicContact CG-CG2 4.1Å; T434-I438 HydrophobicContact CG2-CD1 3.95Å; T434-I438 VanDerWaalsContact O-CG1 3.28Å; T434-I438 WeakPolarHBondContact O-CG1 3.14Å; T434-I438 PolarHBondContact O-N 2.98Å; L435-I438 PolarHBondContact O-N 2.9Å; N436-I438 VanDerWaalsContact C-N 3.34Å; N436-I438 PolarHBondContact O-N 3.07Å; I438-E440 VanDerWaalsContact C-N 3.31Å; I438-E440 PolarHBondContact O-N 3.27Å; I438-S441 PolarHBondContact O-N 3.43Å; I438-L442 HydrophobicContact CG2-CB 4.29Å; I438-L442 HydrophobicContact CG2-CD2 4.36Å; I438-L442 WeakPolarHBondContact O-CB 3.25Å; I438-L442 PolarHBondContact O-N 3.19Å; I438-I443 HydrophobicContact CG2-CG1 4.36Å; I438-I443 PolarHBondContact O-N 3.39Å
439Q91.5Very high82.9Confident61 Ų6166.8 Ų66.829%0.28536%0.362SS..Hα-helixtrans-59.6-42178-169.9-179.4-54.500111.8Y381 L435 N436 M445Y381-Q439 HydrophobicContact CE2-CB 3.93Å; Y381-Q439 HydrophobicContact CE2-CG 4.3Å; Y381-Q439 PolarHBondContact OH-OE1 3.08Å; L435-Q439 WeakPolarHBondContact O-CB 3.28Å; L435-Q439 PolarHBondContact O-N 3.08Å; N436-Q439 PolarHBondContact O-N 3.47Å; Q439-M445 HydrophobicContact CG-CG 4.43Å; Q439-M445 HydrophobicContact CG-SD 4.06Å
440E90.3Very high80.8Confident143 Ų14371 Ų7167%0.66837%0.37SS*.Hα-helixtrans-73-38.7179.6-72.6173.3-170.400112.9N436 R437 I438 K464N436-E440 WeakPolarHBondContact O-CB 3.48Å; N436-E440 WeakPolarHBondContact O-CG 3.24Å; N436-E440 PolarHBondContact O-N 3.45Å; R437-E440 PolarHBondContact O-N 3.42Å; I438-E440 VanDerWaalsContact C-N 3.31Å; I438-E440 PolarHBondContact O-N 3.27Å; E440-K464 WeakPolarHBondContact O-CE 3.48Å; E440-K464 PolarHBondContact O-NZ 3.35Å
441S90.4Very high78.6Confident71 Ų7173.3 Ų73.350%0.49739%0.391SS..Hα-helixtrans-89.7-34.3-172.369.30000114.4R437 I438R437-S441 WeakPolarHBondContact O-CB 3.19Å; R437-S441 PolarHBondContact O-N 2.72Å; R437-S441 PolarHBondContact O-OG 3.45Å; I438-S441 PolarHBondContact O-N 3.43Å
442L91.4Very high76.1Confident3 Ų377.4 Ų77.42%0.01643%0.425CS..THydrogen-bonded Turntrans-118.5-26.1-166.9-169.760.4000113.8L187 Q374 D377 Y378 I438 V465L187-L442 HydrophobicContact CD2-CD1 4.13Å; Q374-L442 HydrophobicContact CB-CD1 4.18Å; Q374-L442 HydrophobicContact CB-CD2 4.3Å; Q374-L442 HydrophobicContact CG-CD1 3.98Å; D377-L442 HydrophobicContact CB-CD2 4.04Å; Y378-L442 HydrophobicContact CD2-CD2 4.31Å; I438-L442 HydrophobicContact CG2-CB 4.29Å; I438-L442 HydrophobicContact CG2-CD2 4.36Å; I438-L442 WeakPolarHBondContact O-CB 3.25Å; I438-L442 PolarHBondContact O-N 3.19Å; L442-V465 PolarHBondContact O-N 2.98Å
443I91.4Very high73.5Confident2 Ų274 Ų741%0.0143%0.431CS..EExtended strand (participates in β ladder)trans-99.5131.4-170.8-51.5-61.1000111.3Y378 Y381 I438 M445 V465Y378-I443 HydrophobicContact CD2-CD1 3.73Å; Y378-I443 HydrophobicContact CE2-CD1 3.73Å; Y381-I443 HydrophobicContact CD1-CD1 3.61Å; Y381-I443 HydrophobicContact CD1-CG1 3.78Å; Y381-I443 HydrophobicContact CE1-CB 4.44Å; Y381-I443 HydrophobicContact CE1-CD1 3.86Å; Y381-I443 HydrophobicContact CE1-CG1 3.65Å; Y381-I443 HydrophobicContact CE1-CG2 4.08Å; Y381-I443 HydrophobicContact CG-CD1 4.29Å; Y381-I443 HydrophobicContact CG-CG1 4.26Å; I438-I443 HydrophobicContact CG2-CG1 4.36Å; I438-I443 PolarHBondContact O-N 3.39Å; I443-M445 HydrophobicContact CG2-CG 4.46Å; I443-M445 HydrophobicContact CG2-SD 3.9Å; I443-V465 CarbonylContact C-O 3.6Å; I443-V465 WeakPolarHBondContact CA-O 3.38Å
444D87.3Confident71.2Confident43 Ų4376.3 Ų76.323%0.2345%0.445CS..EExtended strand (participates in β ladder)trans-93.2116.6164.9-166.9-0.6000109.7D446 K464 V465 S467D444-D446 PolarHBondContact OD1-N 3.28Å; D444-K464 HydrophobicContact CB-CB 4Å; D444-V465 PolarHBondContact N-O 3.43Å; D444-S467 PolarHBondContact O-N 3.48Å
445M76.7Confident68.7Low88 Ų8885.3 Ų85.343%0.43349%0.487SS..SBendtrans-88.5-15.8-176.9-65.6-68.2-69.100112.6Q439 I443 P447Q439-M445 HydrophobicContact CG-CG 4.43Å; Q439-M445 HydrophobicContact CG-SD 4.06Å; I443-M445 HydrophobicContact CG2-CG 4.46Å; I443-M445 HydrophobicContact CG2-SD 3.9Å; M445-P447 WeakPolarHBondContact O-CD 3.47Å
446D65.9Low66.2Low129 Ų12987.5 Ų87.569%0.6951%0.511SS*.  trans-125.370.6-175.5-73.9-41000112.3D444 V448D444-D446 PolarHBondContact OD1-N 3.28Å; D446-V448 PolarHBondContact O-N 3.46Å; D446-V448 VanDerWaalsContact O-N 3.16Å
447P54.9Low63.7Low81 Ų8187.7 Ų87.753%0.52652%0.516SS..THydrogen-bonded Turntrans-68.9-12.5178.925.6-30.8000113.8M445M445-P447 WeakPolarHBondContact O-CD 3.47Å
448V45.3Very low61.4Low138 Ų13888 Ų8884%0.83653%0.534SS*.THydrogen-bonded Turntrans-113.38.1-171-168.90000113.3D446 E450D446-V448 PolarHBondContact O-N 3.46Å; D446-V448 VanDerWaalsContact O-N 3.16Å; V448-E450 PolarHBondContact O-N 3.34Å
449G43Very low59.1Low44 Ų4495.5 Ų95.545%0.45457%0.569SS.*  trans-84.371.8-17600000115N451G449-N451 PolarHBondContact O-N 3.32Å
450E42.6Very low56.8Low190 Ų19097.4 Ų97.489%0.88858%0.581SS**SBendtrans-69.4-1167.9-115.2-175.4-178.200113.6V448V448-E450 PolarHBondContact O-N 3.34Å
451N43.8Very low55Low162 Ų16297.9 Ų97.987%0.86658%0.577SS**SBendtrans-150.781.3178-85.5-44.7000112.8G449G449-N451 PolarHBondContact O-N 3.32Å
452A37.3Very low53.3Low86 Ų86100.6 Ų100.671%0.71158%0.579SS**SBendtrans-166.6117.5150.900000112.1
453G37.4Very low52.1Low63 Ų63106 Ų10665%0.64960%0.604SS**  trans78.298.3150.400000117.9H455G453-H455 PolarHBondContact O-N 3.04Å
454V42.4Very low51.8Low141 Ų141109.4 Ų109.486%0.85562%0.619SS**  trans-67.970165.3-177.90000110.4
455H39.3Very low51.8Low193 Ų193107.7 Ų107.789%0.89461%0.61SS**  trans-145.369.3168.2-75.6-55.1000111.4G453G453-H455 PolarHBondContact O-N 3.04Å
456G40.4Very low52.4Low52 Ų52104.6 Ų104.654%0.53660%0.597SS.*SBendtrans-176.6136.9163.700000109A458G456-A458 PolarHBondContact O-N 2.9Å
457P40.3Very low53.5Low82 Ų8299.1 Ų99.153%0.53257%0.569SS.*  trans-60.8133.5175.424.8-30000109.3E459 D460P457-E459 PolarHBondContact O-N 2.92Å; P457-D460 WeakPolarHBondContact CG-OD2 3.36Å; P457-D460 PolarHBondContact O-N 3.08Å
458A44.6Very low55.2Low77 Ų7795.3 Ų95.364%0.63654%0.544SS*.THydrogen-bonded Turntrans-61.1-10.8-176.500000114.3G456G456-A458 PolarHBondContact O-N 2.9Å
459E45.2Very low57.2Low156 Ų15694 Ų9473%0.72953%0.529SS*.THydrogen-bonded Turntrans-73.2-37.2173-70.7-171.1148.600112.6P457 R461 K462P457-E459 PolarHBondContact O-N 2.92Å; E459-R461 VanDerWaalsContact C-N 3.31Å; E459-R461 PolarHBondContact O-N 3.19Å; E459-K462 PolarHBondContact O-N 3.42Å; E459-K462 VanDerWaalsContact O-N 3.1Å
460D43.7Very low59.5Low101 Ų10194.3 Ų94.354%0.5452%0.52SS..G310 helixtrans-68.7-28.4-178.2-74.3-17.1000112.6P457 K462P457-D460 WeakPolarHBondContact CG-OD2 3.36Å; P457-D460 PolarHBondContact O-N 3.08Å; D460-K462 VanDerWaalsContact C-N 3.28Å; D460-K462 PolarHBondContact O-N 3.39Å
461R51.2Low61.7Low154 Ų15485.9 Ų85.958%0.58148%0.482SS*.G310 helixtrans-72.2-19.8174.7-74.2-173.3-178.3-177.1-0.2113E459E459-R461 VanDerWaalsContact C-N 3.31Å; E459-R461 PolarHBondContact O-N 3.19Å
462K55Low63.7Low128 Ų12887.6 Ų87.656%0.55748%0.484SS*.G310 helixtrans-80.9-20-179-72.4-179.6179.3178.90113.3R184 E459 D460R184-K462 VanDerWaalsContact CZ-O 3.28Å; R184-K462 PolarHBondContact NE-O 3.06Å; E459-K462 PolarHBondContact O-N 3.42Å; E459-K462 VanDerWaalsContact O-N 3.1Å; D460-K462 VanDerWaalsContact C-N 3.28Å; D460-K462 PolarHBondContact O-N 3.39Å
463E67.4Low65.9Low115 Ų11590.6 Ų90.654%0.53749%0.486SS..SBendtrans-92.6-13.1-177.9-65.8-166157.700113.7K180K180-E463 IonicContact NZ-OE1 2.69Å; K180-E463 PolarHBondContact NZ-OE1 2.97Å
464K84.8Confident68.4Low74 Ų7488.3 Ų88.332%0.32246%0.459SS..  trans-87.9152.4177.9-66.8-174.6170-160.10112.3E440 D444E440-K464 WeakPolarHBondContact O-CE 3.48Å; E440-K464 PolarHBondContact O-NZ 3.35Å; D444-K464 HydrophobicContact CB-CB 4Å
465V87.6Confident70.5Confident7 Ų786.6 Ų86.64%0.04244%0.444CS..EExtended strand (participates in β ladder)trans-113.6139.9179.4-179.50000109.9L187 R191 Y378 L442 I443 D444L187-V465 HydrophobicContact CB-CG2 4.45Å; L187-V465 HydrophobicContact CD2-CB 4.39Å; L187-V465 HydrophobicContact CD2-CG2 3.32Å; L187-V465 HydrophobicContact CG-CG2 3.74Å; R191-V465 HydrophobicContact CB-CG1 4.36Å; Y378-V465 HydrophobicContact CD2-CB 4.48Å; Y378-V465 HydrophobicContact CD2-CG1 4.4Å; Y378-V465 HydrophobicContact CE2-CB 4Å; Y378-V465 HydrophobicContact CE2-CG1 3.63Å; L442-V465 PolarHBondContact O-N 2.98Å; I443-V465 CarbonylContact C-O 3.6Å; I443-V465 WeakPolarHBondContact CA-O 3.38Å; D444-V465 PolarHBondContact N-O 3.43Å
466P88.9Confident72.9Confident24 Ų2477.9 Ų77.916%0.15640%0.404CS..EExtended strand (participates in β ladder)trans-55.9148.9179.9-25.435000112.8Y378Y378-P466 PolarHBondContact OH-O 3.5Å
467S87.4Confident75.1Confident14 Ų1479.8 Ų79.810%0.09841%0.405CS..PPolyproline II helixtrans-54.6131.3172.9-175.80000110.4D444 H469D444-S467 PolarHBondContact O-N 3.48Å; S467-H469 PolarHBondContact O-CE1 3.24Å; S467-H469 PolarHBondContact O-ND1 2.84Å
468P90.6Very high77.3Confident1 Ų179 Ų791%0.00640%0.397CS..PPolyproline II helixtrans-70.2149.8178.529.5-34.7000110.8Y378 Y381 A382 F386Y378-P468 HydrophobicContact CE1-CB 4.39Å; Y381-P468 HydrophobicContact CD1-CG 4.26Å; A382-P468 HydrophobicContact CB-CB 4.02Å; A382-P468 HydrophobicContact CB-CG 3.73Å; F386-P468 HydrophobicContact CE1-CB 3.73Å; F386-P468 HydrophobicContact CE1-CG 4.22Å; F386-P468 HydrophobicContact CZ-CB 3.71Å; F386-P468 HydrophobicContact CZ-CG 4.49Å
469H89.1Confident79.4Confident110 Ų11078.3 Ų78.351%0.50939%0.387SS..  trans-124145.5175.4-57.685.9000111.8E195 F386 S467E195-H469 WeakPolarHBondContact CA-O 3.46Å; E195-H469 WeakPolarHBondContact CG-O 3.15Å; E195-H469 IonicContact OE1-ND1 2.68Å; F386-H469 WeakPolarHBondContact CE1-O 3.49Å; F386-H469 VanDerWaalsContact CZ-O 3.31Å; F386-H469 WeakPolarHBondContact CZ-O 3.2Å; S467-H469 PolarHBondContact O-CE1 3.24Å; S467-H469 PolarHBondContact O-ND1 2.84Å
470L89.9Confident81.3Confident51 Ų5173.7 Ų73.727%0.26738%0.381SS..  trans-73.5136.7-179.4-179.264.5000110.9F386 F387 Q472 V474 L476F386-L470 HydrophobicContact CB-CB 4.47Å; F386-L470 HydrophobicContact CB-CD1 4.07Å; F386-L470 HydrophobicContact CD1-CB 3.98Å; F386-L470 HydrophobicContact CD2-CD1 4.04Å; F386-L470 HydrophobicContact CE1-CB 4.44Å; F386-L470 HydrophobicContact CG-CB 4.17Å; F386-L470 HydrophobicContact CG-CD1 4Å; F387-L470 HydrophobicContact CZ-CD1 4.23Å; L470-Q472 PolarHBondContact O-N 2.9Å; L470-V474 HydrophobicContact CD1-CB 4.01Å; L470-V474 HydrophobicContact CD1-CG1 4.12Å; L470-V474 HydrophobicContact CD1-CG2 4.14Å; L470-V474 HydrophobicContact CD2-CB 4.27Å; L470-V474 HydrophobicContact CD2-CG1 4.19Å; L470-V474 HydrophobicContact CG-CB 4.17Å; L470-V474 HydrophobicContact CG-CG1 4.47Å; L470-L476 HydrophobicContact CD2-CD1 3.48Å; L470-L476 VanDerWaalsContact CD2-CD1 3.48Å; L470-L476 HydrophobicContact CD2-CG 4.1Å
471S88.7Confident83.4Confident13 Ų1371.8 Ų71.89%0.09137%0.373CS..  trans-53.3134.8172.8178.30000112E195 M473 V474E195-S471 VanDerWaalsContact O-CA 3.25Å; E195-S471 WeakPolarHBondContact O-CA 3.4Å; E195-S471 WeakPolarHBondContact O-CB 3.39Å; E195-S471 PolarHBondContact O-N 2.96Å; S471-M473 PolarHBondContact O-N 3.3Å; S471-M473 VanDerWaalsContact O-N 3.13Å; S471-M473 PolarHBondContact OG-N 2.7Å; S471-V474 PolarHBondContact O-N 3.03Å; S471-V474 VanDerWaalsContact O-N 3.08Å
472Q85.5Confident85.3Confident198 Ų19864.4 Ų64.493%0.92535%0.345SS*.THydrogen-bonded Turntrans-63.3-18.1175.9-63.8-178.1-400113.1L470 V474L470-Q472 PolarHBondContact O-N 2.9Å; Q472-V474 PolarHBondContact O-N 3.45Å
473M85.5Confident87Confident149 Ų14960.2 Ų60.273%0.73433%0.326SS*.THydrogen-bonded Turntrans-74.6-15.9177.5-58.7-174.271.300112.7S471S471-M473 PolarHBondContact O-N 3.3Å; S471-M473 VanDerWaalsContact O-N 3.13Å; S471-M473 PolarHBondContact OG-N 2.7Å
474V88.7Confident88.2Confident15 Ų1554.8 Ų54.89%0.09130%0.301CS..  trans-91.3109.8-177.2-179.90000110.2F387 L470 S471 Q472 L476 Q487F387-V474 HydrophobicContact CE1-CG1 4.46Å; L470-V474 HydrophobicContact CD1-CB 4.01Å; L470-V474 HydrophobicContact CD1-CG1 4.12Å; L470-V474 HydrophobicContact CD1-CG2 4.14Å; L470-V474 HydrophobicContact CD2-CB 4.27Å; L470-V474 HydrophobicContact CD2-CG1 4.19Å; L470-V474 HydrophobicContact CG-CB 4.17Å; L470-V474 HydrophobicContact CG-CG1 4.47Å; S471-V474 PolarHBondContact O-N 3.03Å; S471-V474 VanDerWaalsContact O-N 3.08Å; Q472-V474 PolarHBondContact O-N 3.45Å; V474-L476 HydrophobicContact CG1-CD2 3.72Å; V474-L476 HydrophobicContact CG1-CG 4.09Å; V474-Q487 HydrophobicContact CG1-CB 4.27Å; V474-Q487 HydrophobicContact CG1-CG 4.17Å
475I87.2Confident88.7Confident104 Ų10451.2 Ų51.253%0.53329%0.285SS..  trans-93.5112.4-178.7-57.1172.4000110.1D478I475-D478 HydrophobicContact CG2-CB 4.01Å
476L89.1Confident89Confident10 Ų1051.9 Ų51.95%0.05229%0.291CS..  trans-106.64179.9-57.1-175.4000114.4F387 L470 V474 Y483F387-L476 HydrophobicContact CD1-CD1 3.9Å; F387-L476 HydrophobicContact CD1-CD2 4.18Å; F387-L476 HydrophobicContact CE1-CD1 4.05Å; F387-L476 HydrophobicContact CE1-CD2 3.85Å; L470-L476 HydrophobicContact CD2-CD1 3.48Å; L470-L476 VanDerWaalsContact CD2-CD1 3.48Å; L470-L476 HydrophobicContact CD2-CG 4.1Å; V474-L476 HydrophobicContact CG1-CD2 3.72Å; V474-L476 HydrophobicContact CG1-CG 4.09Å; L476-Y483 WeakPolarHBondContact O-CB 3.47Å
477T86.8Confident89.3Confident93 Ų9353.2 Ų53.257%0.57130%0.296SS*.SBendtrans-105.5-16.8-173.451.20000113.8M392 Y483M392-T477 HydrophobicContact CE-CG2 3.9Å; T477-Y483 WeakPolarHBondContact O-CD1 3.48Å; T477-Y483 WeakPolarHBondContact O-CE1 3.22Å
478D87.1Confident89.7Confident66 Ų6652.9 Ų52.935%0.35329%0.292SS..  trans-73.5128.4-176.7170.344000112.3I475 G480 T481 Y483I475-D478 HydrophobicContact CG2-CB 4.01Å; D478-G480 PolarHBondContact OD1-N 3.48Å; D478-G480 PolarHBondContact OD2-N 2.99Å; D478-T481 PolarHBondContact O-OG1 2.91Å; D478-T481 WeakPolarHBondContact OD2-CB 3.26Å; D478-T481 VanDerWaalsContact OD2-CG2 3.28Å; D478-T481 WeakPolarHBondContact OD2-CG2 3.46Å; D478-T481 PolarHBondContact OD2-N 2.9Å; D478-T481 PolarHBondContact OD2-OG1 2.87Å; D478-Y483 VanDerWaalsContact O-CA 3.23Å; D478-Y483 WeakPolarHBondContact O-CA 3.3Å; D478-Y483 PolarHBondContact O-N 2.87Å
479S87.4Confident89.9Confident62 Ų6252.8 Ų52.843%0.43429%0.292SS..THydrogen-bonded Turntrans-76.6-23.9179.265.30000113T481 L482S479-T481 VanDerWaalsContact C-N 3.35Å; S479-L482 PolarHBondContact O-N 3.33Å
480G86Confident90.2Very high58 Ų5847.6 Ų47.660%0.59827%0.268SS*.THydrogen-bonded Turntrans-66.2-36.8178.200000112.6D478 L482D478-G480 PolarHBondContact OD1-N 3.48Å; D478-G480 PolarHBondContact OD2-N 2.99Å; G480-L482 VanDerWaalsContact C-N 3.32Å
481T87.1Confident90.5Very high61 Ų6145.2 Ų45.237%0.37426%0.255SS..THydrogen-bonded Turntrans-89.313.317651.90000114.1D478 S479 Y483 G484 L485D478-T481 PolarHBondContact O-OG1 2.91Å; D478-T481 WeakPolarHBondContact OD2-CB 3.26Å; D478-T481 VanDerWaalsContact OD2-CG2 3.28Å; D478-T481 WeakPolarHBondContact OD2-CG2 3.46Å; D478-T481 PolarHBondContact OD2-N 2.9Å; D478-T481 PolarHBondContact OD2-OG1 2.87Å; S479-T481 VanDerWaalsContact C-N 3.35Å; T481-Y483 VanDerWaalsContact C-N 3.3Å; T481-Y483 PolarHBondContact O-N 3.49Å; T481-G484 PolarHBondContact O-N 3.25Å; T481-L485 PolarHBondContact O-N 3.39Å
482L91Very high90.9Very high0 Ų044.6 Ų44.60%025%0.251CS..THydrogen-bonded Turntrans52.246.9-171-73.5176.4000112.3S479 G480 G484 L485 V543 R588 V592S479-L482 PolarHBondContact O-N 3.33Å; G480-L482 VanDerWaalsContact C-N 3.32Å; L482-G484 PolarHBondContact O-N 3.43Å; L482-L485 HydrophobicContact CB-CB 3.8Å; L482-L485 HydrophobicContact CB-CD2 4.22Å; L482-L485 HydrophobicContact CD1-CD2 3.79Å; L482-L485 WeakPolarHBondContact O-CB 3.38Å; L482-L485 PolarHBondContact O-N 3.36Å; L482-V543 HydrophobicContact CB-CG1 4.41Å; L482-V543 WeakPolarHBondContact O-CG1 3.33Å; L482-R588 HydrophobicContact CD1-CB 3.67Å; L482-R588 HydrophobicContact CD2-CB 3.91Å; L482-R588 HydrophobicContact CG-CB 3.8Å; L482-V592 HydrophobicContact CD1-CG2 4.08Å
483Y91.9Very high91.4Very high40 Ų4035.9 Ų35.916%0.15721%0.21CC..THydrogen-bonded Turntrans60.343.6176.4-52.9-78.6000112.8L476 T477 D478 T481 R488 K546L476-Y483 WeakPolarHBondContact O-CB 3.47Å; T477-Y483 WeakPolarHBondContact O-CD1 3.48Å; T477-Y483 WeakPolarHBondContact O-CE1 3.22Å; D478-Y483 VanDerWaalsContact O-CA 3.23Å; D478-Y483 WeakPolarHBondContact O-CA 3.3Å; D478-Y483 PolarHBondContact O-N 2.87Å; T481-Y483 VanDerWaalsContact C-N 3.3Å; T481-Y483 PolarHBondContact O-N 3.49Å; Y483-R488 PolarHBondContact O-NE 3.4Å; Y483-R488 VanDerWaalsContact O-NE 3.07Å; Y483-K546 HydrophobicContact CD1-CB 4.37Å; Y483-K546 HydrophobicContact CD1-CD 3.83Å; Y483-K546 HydrophobicContact CD2-CB 3.66Å; Y483-K546 HydrophobicContact CD2-CD 4.4Å; Y483-K546 HydrophobicContact CE1-CB 4.06Å; Y483-K546 HydrophobicContact CE1-CD 3.92Å; Y483-K546 HydrophobicContact CE2-CB 3.31Å; Y483-K546 WeakPolarHBondContact CE2-O 3.5Å; Y483-K546 HydrophobicContact CG-CB 4.19Å; Y483-K546 HydrophobicContact CG-CD 4.07Å; Y483-K546 PolarHBondContact OH-O 3.14Å
484G91.7Very high91.9Very high0 Ų028.8 Ų28.80%018%0.175CC..THydrogen-bonded Turntrans6937.1-178.400000113.3T481 L482 A486 Q487 R488T481-G484 PolarHBondContact O-N 3.25Å; L482-G484 PolarHBondContact O-N 3.43Å; G484-A486 VanDerWaalsContact C-N 3.27Å; G484-A486 PolarHBondContact O-N 3.49Å; G484-Q487 PolarHBondContact O-N 3.46Å; G484-Q487 PolarHBondContact O-OE1 3.13Å; G484-R488 WeakPolarHBondContact O-CG 3.39Å; G484-R488 PolarHBondContact O-N 2.78Å
485L94.9Very high92.3Very high0 Ų028.1 Ų28.10%017%0.171CC..Hα-helixtrans-59.2-38.8-176.5178.659.9000111.8T481 L482 Q487 R488 V489 Y540 V543 L589 V592 L606T481-L485 PolarHBondContact O-N 3.39Å; L482-L485 HydrophobicContact CB-CB 3.8Å; L482-L485 HydrophobicContact CB-CD2 4.22Å; L482-L485 HydrophobicContact CD1-CD2 3.79Å; L482-L485 WeakPolarHBondContact O-CB 3.38Å; L482-L485 PolarHBondContact O-N 3.36Å; L485-Q487 PolarHBondContact O-N 3.28Å; L485-R488 PolarHBondContact O-N 2.88Å; L485-V489 HydrophobicContact CD1-CG2 3.94Å; L485-V489 HydrophobicContact CG-CG2 4.19Å; L485-V489 VanDerWaalsContact O-CG2 3.22Å; L485-V489 WeakPolarHBondContact O-CG2 3.33Å; L485-V489 PolarHBondContact O-N 3.29Å; L485-Y540 HydrophobicContact CD1-CD1 4.13Å; L485-Y540 HydrophobicContact CD1-CE1 4.25Å; L485-V543 HydrophobicContact CD1-CG1 4.39Å; L485-V543 HydrophobicContact CD1-CG2 4.26Å; L485-L589 HydrophobicContact CD2-CD1 3.66Å; L485-V592 HydrophobicContact CB-CG1 4.38Å; L485-V592 HydrophobicContact CD2-CB 4.45Å; L485-V592 HydrophobicContact CD2-CG1 4.19Å; L485-V592 HydrophobicContact CD2-CG2 4.38Å; L485-V592 HydrophobicContact CG-CG1 4.19Å; L485-L606 HydrophobicContact CD1-CD1 4.03Å; L485-L606 HydrophobicContact CD1-CD2 4.17Å; L485-L606 HydrophobicContact CD2-CD1 4.21Å
486A94.3Very high92.8Very high20 Ų2023.6 Ų23.617%0.16515%0.148CC..Hα-helixtrans-57-50.5177.900000111.8G484 R488 V489 V490 V592 V596G484-A486 VanDerWaalsContact C-N 3.27Å; G484-A486 PolarHBondContact O-N 3.49Å; A486-R488 PolarHBondContact O-N 3.3Å; A486-V489 PolarHBondContact O-N 2.97Å; A486-V490 WeakPolarHBondContact O-CG2 3.4Å; A486-V490 PolarHBondContact O-N 3.21Å; A486-V592 HydrophobicContact CB-CG1 4.26Å; A486-V596 HydrophobicContact CB-CB 4.47Å; A486-V596 HydrophobicContact CB-CG2 3.88Å
487Q95.1Very high93.1Very high53 Ų5324.1 Ų24.125%0.24815%0.15CC..Hα-helixtrans-64.9-40.3179.2-65.679.37.600111.5W199 F387 V474 G484 L485 V489 V490 A491W199-Q487 HydrophobicContact CB-CB 3.94Å; W199-Q487 HydrophobicContact CB-CG 4.08Å; F387-Q487 HydrophobicContact CE1-CB 4.26Å; F387-Q487 HydrophobicContact CZ-CB 4.49Å; V474-Q487 HydrophobicContact CG1-CB 4.27Å; V474-Q487 HydrophobicContact CG1-CG 4.17Å; G484-Q487 PolarHBondContact O-N 3.46Å; G484-Q487 PolarHBondContact O-OE1 3.13Å; L485-Q487 PolarHBondContact O-N 3.28Å; Q487-V489 VanDerWaalsContact C-N 3.34Å; Q487-V489 PolarHBondContact O-N 3.3Å; Q487-V490 PolarHBondContact O-N 2.99Å; Q487-A491 VanDerWaalsContact O-CB 3.26Å; Q487-A491 WeakPolarHBondContact O-CB 3.39Å; Q487-A491 PolarHBondContact O-N 3.27Å
488R95.4Very high93.5Very high6 Ų619.7 Ų19.72%0.02312%0.123CC..Hα-helixtrans-60.4-41.6174.7-71.7171.1-177.9-76.9-12.4112.3F387 Y483 G484 L485 A486 T492 I539 Y540F387-R488 HydrophobicContact CB-CG 4.44Å; F387-R488 HydrophobicContact CD1-CB 4.47Å; F387-R488 HydrophobicContact CD1-CG 3.55Å; F387-R488 HydrophobicContact CE1-CG 4.15Å; F387-R488 HydrophobicContact CG-CG 4.28Å; F387-R488 PolarHBondContact O-NH1 3.26Å; Y483-R488 PolarHBondContact O-NE 3.4Å; Y483-R488 VanDerWaalsContact O-NE 3.07Å; G484-R488 WeakPolarHBondContact O-CG 3.39Å; G484-R488 PolarHBondContact O-N 2.78Å; L485-R488 PolarHBondContact O-N 2.88Å; A486-R488 PolarHBondContact O-N 3.3Å; R488-T492 VanDerWaalsContact O-CB 3.3Å; R488-T492 WeakPolarHBondContact O-CB 3.38Å; R488-T492 PolarHBondContact O-N 3.26Å; R488-T492 PolarHBondContact O-OG1 2.77Å; R488-I539 HydrophobicContact CB-CG2 3.86Å; R488-I539 HydrophobicContact CG-CG2 4Å; R488-I539 PolarHBondContact NH1-O 2.84Å; R488-I539 VanDerWaalsContact NH1-O 3.13Å; R488-Y540 HydrophobicContact CB-CE1 4.24Å
489V95.8Very high94Very high0 Ų016.8 Ų16.80%011%0.108CC..Hα-helixtrans-65.2-51.7176.41730000110.3L485 A486 Q487 A491 T492 E493 Y540 V596 V602L485-V489 HydrophobicContact CD1-CG2 3.94Å; L485-V489 HydrophobicContact CG-CG2 4.19Å; L485-V489 VanDerWaalsContact O-CG2 3.22Å; L485-V489 WeakPolarHBondContact O-CG2 3.33Å; L485-V489 PolarHBondContact O-N 3.29Å; A486-V489 PolarHBondContact O-N 2.97Å; Q487-V489 VanDerWaalsContact C-N 3.34Å; Q487-V489 PolarHBondContact O-N 3.3Å; V489-A491 VanDerWaalsContact C-N 3.32Å; V489-A491 PolarHBondContact O-N 3.05Å; V489-T492 PolarHBondContact O-N 3.14Å; V489-E493 HydrophobicContact CG1-CG 4.17Å; V489-E493 WeakPolarHBondContact O-CB 3.36Å; V489-E493 WeakPolarHBondContact O-CG 3.01Å; V489-E493 PolarHBondContact O-N 3.19Å; V489-Y540 HydrophobicContact CG2-CE1 4.09Å; V489-V596 HydrophobicContact CB-CG1 4.24Å; V489-V596 HydrophobicContact CG1-CG1 3.78Å; V489-V602 HydrophobicContact CG2-CG1 4.08Å
490V95.7Very high94.3Very high1 Ų118.6 Ų18.61%0.00611%0.11CC..Hα-helixtrans-58.6-46.6179.6176.10000110.4W199 L201 T341 A486 Q487 S494 V596W199-V490 HydrophobicContact CB-CG1 4.48Å; W199-V490 WeakPolarHBondContact O-CB 3.34Å; W199-V490 WeakPolarHBondContact O-CG1 3.46Å; W199-V490 WeakPolarHBondContact O-CG2 3.39Å; L201-V490 HydrophobicContact CD2-CG1 4.43Å; L201-V490 HydrophobicContact CD2-CG2 3.86Å; L201-V490 HydrophobicContact CG-CG2 4.08Å; T341-V490 HydrophobicContact CG2-CG1 3.5Å; T341-V490 VanDerWaalsContact CG2-CG1 3.5Å; A486-V490 WeakPolarHBondContact O-CG2 3.4Å; A486-V490 PolarHBondContact O-N 3.21Å; Q487-V490 PolarHBondContact O-N 2.99Å; V490-S494 WeakPolarHBondContact O-CB 3.36Å; V490-S494 PolarHBondContact O-N 2.59Å; V490-S494 PolarHBondContact O-OG 3.23Å; V490-V596 HydrophobicContact CG2-CG1 3.84Å; V490-V596 HydrophobicContact CG2-CG2 3.93Å
491A96.4Very high94.7Very high0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-60.7-50.2179.800000113.3W199 V383 F387 Q487 V489 L495W199-A491 HydrophobicContact CD2-CB 3.8Å; W199-A491 HydrophobicContact CE3-CB 3.25Å; W199-A491 HydrophobicContact CH2-CB 4.07Å; W199-A491 VanDerWaalsContact CZ3-CA 3.42Å; W199-A491 HydrophobicContact CZ3-CB 3.4Å; V383-A491 HydrophobicContact CG1-CB 4.44Å; F387-A491 HydrophobicContact CD2-CB 3.71Å; F387-A491 HydrophobicContact CE2-CB 3.32Å; F387-A491 HydrophobicContact CZ-CB 3.91Å; Q487-A491 VanDerWaalsContact O-CB 3.26Å; Q487-A491 WeakPolarHBondContact O-CB 3.39Å; Q487-A491 PolarHBondContact O-N 3.27Å; V489-A491 VanDerWaalsContact C-N 3.32Å; V489-A491 PolarHBondContact O-N 3.05Å; A491-L495 PolarHBondContact O-N 2.88Å
492T96.3Very high95Very high0 Ų014.3 Ų14.30%07%0.07CC..Hα-helixtrans-69.1-44.9-175.6-51.50000111.2R488 V489 L495 V496 R536 I539 Y540R488-T492 VanDerWaalsContact O-CB 3.3Å; R488-T492 WeakPolarHBondContact O-CB 3.38Å; R488-T492 PolarHBondContact O-N 3.26Å; R488-T492 PolarHBondContact O-OG1 2.77Å; V489-T492 PolarHBondContact O-N 3.14Å; T492-L495 PolarHBondContact O-N 3.22Å; T492-V496 WeakPolarHBondContact O-CG2 3.04Å; T492-V496 PolarHBondContact O-N 3.1Å; T492-R536 HydrophobicContact CG2-CB 4.38Å; T492-R536 HydrophobicContact CG2-CG 3.56Å; T492-I539 HydrophobicContact CG2-CD1 4.34Å; T492-I539 WeakPolarHBondContact OG1-CD1 3.26Å; T492-Y540 HydrophobicContact CG2-CE2 4.48Å
493E95.9Very high95.2Very high16 Ų1619 Ų198%0.0759%0.092CC..Hα-helixtrans-74.9-28.3-177.9-60.3-56.512200112I339 V489 L495 V496 F497 R536 P599 V602I339-E493 HydrophobicContact CB-CB 3.94Å; I339-E493 HydrophobicContact CD1-CB 4.18Å; I339-E493 HydrophobicContact CD1-CG 4.34Å; I339-E493 HydrophobicContact CG2-CB 3.68Å; V489-E493 HydrophobicContact CG1-CG 4.17Å; V489-E493 WeakPolarHBondContact O-CB 3.36Å; V489-E493 WeakPolarHBondContact O-CG 3.01Å; V489-E493 PolarHBondContact O-N 3.19Å; E493-L495 VanDerWaalsContact C-N 3.35Å; E493-V496 PolarHBondContact O-N 2.69Å; E493-F497 WeakPolarHBondContact O-CB 3.32Å; E493-F497 PolarHBondContact O-N 2.94Å; E493-R536 IonicContact OE1-CZ 3.45Å; E493-R536 IonicContact OE1-NE 3.62Å; E493-R536 PolarHBondContact OE1-NE 3.41Å; E493-R536 IonicContact OE1-NH2 2.91Å; E493-R536 PolarHBondContact OE1-NH2 2.84Å; E493-R536 IonicContact OE2-CZ 2.77Å; E493-R536 IonicContact OE2-NE 3.65Å; E493-R536 IonicContact OE2-NH2 3.66Å; E493-R536 PolarHBondContact OE2-NH2 3.49Å; E493-P599 HydrophobicContact CG-CG 4.02Å; E493-V602 VanDerWaalsContact CD-CG2 3.49Å; E493-V602 HydrophobicContact CG-CG2 3.98Å; E493-V602 WeakPolarHBondContact OE1-CG2 3.42Å
494S96.4Very high95.2Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-63.1-41.2169.3-60.90000112.1I339 L340 T341 T344 V490 F497 L498I339-S494 WeakPolarHBondContact O-CA 3.49Å; L340-S494 VanDerWaalsContact CA-OG 3.25Å; L340-S494 WeakPolarHBondContact CA-OG 3.49Å; T341-S494 PolarHBondContact N-OG 3.41Å; T344-S494 WeakPolarHBondContact OG1-CB 3.36Å; V490-S494 WeakPolarHBondContact O-CB 3.36Å; V490-S494 PolarHBondContact O-N 2.59Å; V490-S494 PolarHBondContact O-OG 3.23Å; S494-F497 PolarHBondContact O-N 3.07Å; S494-L498 WeakPolarHBondContact O-CB 3.47Å; S494-L498 PolarHBondContact O-N 3.49Å
495L97.4Very high95.1Very high0 Ų020.4 Ų20.40%011%0.107CC..Hα-helixtrans-66.1-41.1174.2169.859.8000111.8F376 Y379 L380 V383 A491 T492 E493 L498 A499 A532 L535F376-L495 HydrophobicContact CE2-CD1 4.19Å; F376-L495 HydrophobicContact CZ-CD1 4.1Å; Y379-L495 HydrophobicContact CD1-CB 4.27Å; Y379-L495 HydrophobicContact CD1-CD1 3.95Å; Y379-L495 HydrophobicContact CE1-CB 3.99Å; L380-L495 HydrophobicContact CB-CD1 4.1Å; L380-L495 HydrophobicContact CB-CD2 4.35Å; L380-L495 HydrophobicContact CG-CD2 4.18Å; V383-L495 HydrophobicContact CB-CD2 4.09Å; V383-L495 HydrophobicContact CG1-CD2 4.09Å; V383-L495 HydrophobicContact CG2-CB 4.41Å; V383-L495 HydrophobicContact CG2-CD2 4.37Å; A491-L495 PolarHBondContact O-N 2.88Å; T492-L495 PolarHBondContact O-N 3.22Å; E493-L495 VanDerWaalsContact C-N 3.35Å; L495-L498 WeakPolarHBondContact O-CB 3.47Å; L495-L498 PolarHBondContact O-N 2.93Å; L495-A499 PolarHBondContact O-N 2.89Å; L495-A532 HydrophobicContact CD1-CB 4.29Å; L495-A532 HydrophobicContact CG-CB 4.13Å; L495-L535 HydrophobicContact CD2-CD1 3.51Å
496V96.3Very high94.9Very high10 Ų1024 Ų246%0.06112%0.124CC..Hα-helixtrans-64.7-43.7176.3174.70000110.7T492 E493 L498 A499 E500T492-V496 WeakPolarHBondContact O-CG2 3.04Å; T492-V496 PolarHBondContact O-N 3.1Å; E493-V496 PolarHBondContact O-N 2.69Å; V496-L498 VanDerWaalsContact C-N 3.31Å; V496-L498 PolarHBondContact O-N 3.49Å; V496-A499 WeakPolarHBondContact O-CB 3.23Å; V496-A499 PolarHBondContact O-N 2.98Å; V496-A499 VanDerWaalsContact O-N 3.12Å; V496-E500 WeakPolarHBondContact O-CG 3.38Å; V496-E500 PolarHBondContact O-N 3.41Å
497F95.3Very high94.7Very high20 Ų2027.2 Ų27.29%0.08815%0.145CC..Hα-helixtrans-58-44.3173.7175-100.2000111.6F208 P338 L340 T344 I348 E493 S494 A499 E500 Q501F208-F497 HydrophobicContact CD1-CZ 4.14Å; F208-F497 HydrophobicContact CE1-CE1 4.36Å; F208-F497 AromaticContact CE1-CZ 3.94Å; F208-F497 HydrophobicContact CE1-CZ 3.94Å; P338-F497 HydrophobicContact CB-CD2 3.8Å; P338-F497 HydrophobicContact CB-CE2 3.6Å; P338-F497 HydrophobicContact CB-CZ 4.24Å; P338-F497 HydrophobicContact CG-CE2 4.23Å; L340-F497 HydrophobicContact CB-CD1 3.99Å; L340-F497 HydrophobicContact CB-CE1 4.33Å; L340-F497 HydrophobicContact CD2-CD1 4.12Å; L340-F497 HydrophobicContact CD2-CE1 3.7Å; L340-F497 HydrophobicContact CD2-CZ 3.99Å; T344-F497 HydrophobicContact CG2-CD1 4.27Å; I348-F497 HydrophobicContact CD1-CD1 4.16Å; I348-F497 HydrophobicContact CD1-CE1 3.56Å; E493-F497 WeakPolarHBondContact O-CB 3.32Å; E493-F497 PolarHBondContact O-N 2.94Å; S494-F497 PolarHBondContact O-N 3.07Å; F497-A499 VanDerWaalsContact C-N 3.32Å; F497-A499 PolarHBondContact O-N 2.74Å; F497-E500 WeakPolarHBondContact O-CB 3.5Å; F497-E500 PolarHBondContact O-N 3.4Å; F497-Q501 HydrophobicContact CD1-CG 4.24Å; F497-Q501 HydrophobicContact CE1-CG 3.78Å; F497-Q501 HydrophobicContact CE2-CG 4.36Å; F497-Q501 HydrophobicContact CZ-CG 3.84Å; F497-Q501 WeakPolarHBondContact O-CG 3.29Å; F497-Q501 PolarHBondContact O-N 3.24Å
498L96.1Very high94.2Very high0 Ų026.3 Ų26.30%014%0.141CC..Hα-helixtrans-59.2-42.9175.1-174.963.7000111.6T344 V347 I348 F376 Y379 S494 L495 V496 Q501 F502T344-L498 HydrophobicContact CG2-CB 4.21Å; T344-L498 HydrophobicContact CG2-CD1 4.45Å; V347-L498 HydrophobicContact CG1-CD1 4.1Å; V347-L498 HydrophobicContact CG1-CD2 4.14Å; I348-L498 HydrophobicContact CD1-CD1 4.19Å; I348-L498 HydrophobicContact CG1-CD1 3.58Å; F376-L498 HydrophobicContact CD2-CD2 4.02Å; F376-L498 HydrophobicContact CD2-CG 4.06Å; F376-L498 HydrophobicContact CE2-CD2 4.38Å; F376-L498 HydrophobicContact CE2-CG 4.2Å; Y379-L498 HydrophobicContact CD1-CD2 4.27Å; Y379-L498 HydrophobicContact CD2-CD2 4.37Å; Y379-L498 HydrophobicContact CG-CD2 4.08Å; S494-L498 WeakPolarHBondContact O-CB 3.47Å; S494-L498 PolarHBondContact O-N 3.49Å; L495-L498 WeakPolarHBondContact O-CB 3.47Å; L495-L498 PolarHBondContact O-N 2.93Å; V496-L498 VanDerWaalsContact C-N 3.31Å; V496-L498 PolarHBondContact O-N 3.49Å; L498-Q501 PolarHBondContact O-N 3.48Å; L498-F502 HydrophobicContact CD1-CD2 4.07Å; L498-F502 HydrophobicContact CD1-CE2 3.79Å; L498-F502 HydrophobicContact CG-CD2 4.16Å; L498-F502 HydrophobicContact CG-CE2 4.05Å; L498-F502 VanDerWaalsContact O-CD2 3.29Å; L498-F502 WeakPolarHBondContact O-CD2 3.31Å; L498-F502 PolarHBondContact O-N 3.12Å
499A96.7Very high93.9Very high5 Ų526.1 Ų26.14%0.04114%0.14CC..Hα-helixtrans-61.2-43.9176.200000112F376 L495 V496 F497 Q501 F502 E503 V529 A532F376-A499 HydrophobicContact CE2-CB 3.94Å; F376-A499 HydrophobicContact CZ-CB 3.89Å; L495-A499 PolarHBondContact O-N 2.89Å; V496-A499 WeakPolarHBondContact O-CB 3.23Å; V496-A499 PolarHBondContact O-N 2.98Å; V496-A499 VanDerWaalsContact O-N 3.12Å; F497-A499 VanDerWaalsContact C-N 3.32Å; F497-A499 PolarHBondContact O-N 2.74Å; A499-Q501 VanDerWaalsContact C-N 3.31Å; A499-Q501 PolarHBondContact O-N 3.22Å; A499-F502 WeakPolarHBondContact O-CB 3.48Å; A499-F502 PolarHBondContact O-N 3.47Å; A499-E503 WeakPolarHBondContact O-CG 3.31Å; A499-E503 PolarHBondContact O-N 2.98Å; A499-V529 HydrophobicContact CB-CG1 3.84Å; A499-A532 HydrophobicContact CB-CB 3.76Å
500E94.7Very high93.5Very high101 Ų10128.3 Ų28.347%0.47215%0.152SC..Hα-helixtrans-60.6-39.1174.6-68.3171.1-179.600111.8V496 F497 E503 S504V496-E500 WeakPolarHBondContact O-CG 3.38Å; V496-E500 PolarHBondContact O-N 3.41Å; F497-E500 WeakPolarHBondContact O-CB 3.5Å; F497-E500 PolarHBondContact O-N 3.4Å; E500-E503 PolarHBondContact O-N 3.13Å; E500-S504 PolarHBondContact O-N 2.87Å
501Q93.9Very high93.2Very high26 Ų2633.6 Ų33.612%0.12118%0.184CC..Hα-helixtrans-64.1-45174.8-62.1-36.6-69.700111I210 I348 F497 L498 A499 E503 S504 L505I210-Q501 HydrophobicContact CD1-CB 4.44Å; I210-Q501 HydrophobicContact CG2-CG 3.91Å; I348-Q501 HydrophobicContact CD1-CG 3.94Å; F497-Q501 HydrophobicContact CD1-CG 4.24Å; F497-Q501 HydrophobicContact CE1-CG 3.78Å; F497-Q501 HydrophobicContact CE2-CG 4.36Å; F497-Q501 HydrophobicContact CZ-CG 3.84Å; F497-Q501 WeakPolarHBondContact O-CG 3.29Å; F497-Q501 PolarHBondContact O-N 3.24Å; L498-Q501 PolarHBondContact O-N 3.48Å; A499-Q501 VanDerWaalsContact C-N 3.31Å; A499-Q501 PolarHBondContact O-N 3.22Å; Q501-E503 PolarHBondContact O-N 3.07Å; Q501-S504 WeakPolarHBondContact O-CB 3.43Å; Q501-S504 PolarHBondContact O-N 2.88Å; Q501-S504 VanDerWaalsContact O-N 3.17Å; Q501-S504 PolarHBondContact O-OG 3.45Å; Q501-L505 VanDerWaalsContact O-CG 3.32Å; Q501-L505 WeakPolarHBondContact O-CG 3.34Å; Q501-L505 PolarHBondContact O-N 3.24Å; Q501-L505 VanDerWaalsContact O-N 3.09Å
502F94.5Very high92.5Very high3 Ų335.7 Ų35.71%0.01320%0.195CC..Hα-helixtrans-59.4-45175.2-89.8-112.9000111.7V351 V372 F376 L498 A499 S504 L505 Q506 F524 Y525 V529V351-F502 HydrophobicContact CG2-CE2 4.03Å; V351-F502 HydrophobicContact CG2-CZ 3.8Å; V372-F502 HydrophobicContact CG1-CD1 4.48Å; V372-F502 HydrophobicContact CG1-CE1 3.5Å; V372-F502 HydrophobicContact CG1-CZ 3.86Å; F376-F502 HydrophobicContact CB-CE1 3.88Å; F376-F502 HydrophobicContact CB-CE2 4.48Å; F376-F502 HydrophobicContact CB-CZ 3.84Å; F376-F502 HydrophobicContact CD2-CD1 4.33Å; F376-F502 AromaticContact CD2-CD2 4Å; F376-F502 HydrophobicContact CD2-CD2 4Å; F376-F502 HydrophobicContact CD2-CE1 4.31Å; F376-F502 AromaticContact CD2-CE2 4Å; F376-F502 HydrophobicContact CD2-CE2 4Å; F376-F502 HydrophobicContact CD2-CG 4.16Å; F376-F502 HydrophobicContact CD2-CZ 4.15Å; F376-F502 HydrophobicContact CG-CE1 4.37Å; F376-F502 HydrophobicContact CG-CZ 4.42Å; L498-F502 HydrophobicContact CD1-CD2 4.07Å; L498-F502 HydrophobicContact CD1-CE2 3.79Å; L498-F502 HydrophobicContact CG-CD2 4.16Å; L498-F502 HydrophobicContact CG-CE2 4.05Å; L498-F502 VanDerWaalsContact O-CD2 3.29Å; L498-F502 WeakPolarHBondContact O-CD2 3.31Å; L498-F502 PolarHBondContact O-N 3.12Å; A499-F502 WeakPolarHBondContact O-CB 3.48Å; A499-F502 PolarHBondContact O-N 3.47Å; F502-S504 VanDerWaalsContact C-N 3.26Å; F502-S504 PolarHBondContact O-N 3.27Å; F502-L505 PolarHBondContact O-N 3.07Å; F502-Q506 PolarHBondContact O-N 3.06Å; F502-Q506 VanDerWaalsContact O-N 3.07Å; F502-F524 AromaticContact CD1-CE1 3.87Å; F502-F524 HydrophobicContact CD1-CE1 3.87Å; F502-F524 HydrophobicContact CD1-CZ 4.08Å; F502-F524 HydrophobicContact CE1-CE1 4.16Å; F502-F524 HydrophobicContact CE1-CZ 4.07Å; F502-Y525 HydrophobicContact CB-CE1 4.05Å; F502-Y525 VanDerWaalsContact O-CE1 3.31Å; F502-Y525 WeakPolarHBondContact O-CE1 3.23Å; F502-Y525 PolarHBondContact O-OH 2.81Å; F502-V529 HydrophobicContact CB-CG1 4.28Å
503E94.3Very high91.9Very high99 Ų9936.1 Ų36.146%0.46320%0.197SC..Hα-helixtrans-57.5-39.9175.8-72177.6177.100111.8A499 E500 Q501 L505 Q506 V529A499-E503 WeakPolarHBondContact O-CG 3.31Å; A499-E503 PolarHBondContact O-N 2.98Å; E500-E503 PolarHBondContact O-N 3.13Å; Q501-E503 PolarHBondContact O-N 3.07Å; E503-L505 VanDerWaalsContact C-N 3.3Å; E503-L505 PolarHBondContact O-N 3.03Å; E503-Q506 VanDerWaalsContact O-CB 3.29Å; E503-Q506 WeakPolarHBondContact O-CB 3.41Å; E503-Q506 PolarHBondContact O-N 3.02Å; E503-V529 HydrophobicContact CG-CG1 3.94Å
504S91.4Very high91.4Very high64 Ų6438.5 Ų38.545%0.44821%0.213SC..Hα-helixtrans-64.5-33.9175.383.40000113.1E500 Q501 F502 Q506E500-S504 PolarHBondContact O-N 2.87Å; Q501-S504 WeakPolarHBondContact O-CB 3.43Å; Q501-S504 PolarHBondContact O-N 2.88Å; Q501-S504 VanDerWaalsContact O-N 3.17Å; Q501-S504 PolarHBondContact O-OG 3.45Å; F502-S504 VanDerWaalsContact C-N 3.26Å; F502-S504 PolarHBondContact O-N 3.27Å; S504-Q506 VanDerWaalsContact C-N 3.35Å
505L90.4Very high90.8Very high4 Ų442.5 Ų42.52%0.02125%0.246CC..Hα-helixtrans-80.4-14.1179.9-63.8175.7000113.1I210 F216 M219 V351 M355 Q501 F502 E503 S507 H508 L509I210-L505 HydrophobicContact CD1-CD1 4.5Å; I210-L505 HydrophobicContact CD1-CD2 3.94Å; I210-L505 HydrophobicContact CD1-CG 4.23Å; F216-L505 HydrophobicContact CD1-CD2 4.18Å; F216-L505 HydrophobicContact CE1-CD1 3.95Å; F216-L505 HydrophobicContact CE1-CD2 3.79Å; F216-L505 HydrophobicContact CZ-CD1 4.39Å; M219-L505 HydrophobicContact CE-CD2 3.68Å; M219-L505 HydrophobicContact SD-CD2 3.72Å; V351-L505 HydrophobicContact CG1-CD1 3.94Å; M355-L505 HydrophobicContact CE-CD2 4.27Å; M355-L505 HydrophobicContact SD-CD1 4.09Å; M355-L505 HydrophobicContact SD-CD2 4.16Å; Q501-L505 VanDerWaalsContact O-CG 3.32Å; Q501-L505 WeakPolarHBondContact O-CG 3.34Å; Q501-L505 PolarHBondContact O-N 3.24Å; Q501-L505 VanDerWaalsContact O-N 3.09Å; F502-L505 PolarHBondContact O-N 3.07Å; E503-L505 VanDerWaalsContact C-N 3.3Å; E503-L505 PolarHBondContact O-N 3.03Å; L505-S507 VanDerWaalsContact C-N 3.31Å; L505-S507 PolarHBondContact O-N 3.46Å; L505-H508 PolarHBondContact O-N 3.1Å; L505-H508 VanDerWaalsContact O-N 3.08Å; L505-L509 HydrophobicContact CB-CD1 4.26Å; L505-L509 WeakPolarHBondContact O-CG 3.46Å; L505-L509 PolarHBondContact O-N 2.81Å
506Q90.9Very high90.3Very high75 Ų7546.7 Ų46.735%0.3528%0.281SS..Hα-helixtrans-53.1-44.8-174.2-177.2177.87.300113.2F502 E503 S504 H508 L509 D510 Y525F502-Q506 PolarHBondContact O-N 3.06Å; F502-Q506 VanDerWaalsContact O-N 3.07Å; E503-Q506 VanDerWaalsContact O-CB 3.29Å; E503-Q506 WeakPolarHBondContact O-CB 3.41Å; E503-Q506 PolarHBondContact O-N 3.02Å; S504-Q506 VanDerWaalsContact C-N 3.35Å; Q506-H508 VanDerWaalsContact C-N 3.31Å; Q506-H508 PolarHBondContact O-N 3.35Å; Q506-L509 PolarHBondContact O-N 3.41Å; Q506-D510 WeakPolarHBondContact O-CB 3.5Å; Q506-D510 PolarHBondContact O-N 3.35Å; Q506-Y525 HydrophobicContact CB-CD1 4.49Å; Q506-Y525 HydrophobicContact CB-CD2 4.41Å; Q506-Y525 HydrophobicContact CB-CE1 3.99Å; Q506-Y525 HydrophobicContact CB-CE2 3.9Å; Q506-Y525 HydrophobicContact CG-CD1 4.48Å; Q506-Y525 HydrophobicContact CG-CD2 3.77Å; Q506-Y525 HydrophobicContact CG-CE1 4.35Å; Q506-Y525 HydrophobicContact CG-CE2 3.62Å; Q506-Y525 HydrophobicContact CG-CG 4.23Å
507S88.7Confident89.9Confident88 Ų8850.8 Ų50.862%0.61530%0.298SS*.Hα-helixtrans-62-38.3-17962.20000112.8L505 T511L505-S507 VanDerWaalsContact C-N 3.31Å; L505-S507 PolarHBondContact O-N 3.46Å; S507-T511 PolarHBondContact O-N 3.35Å; S507-T511 PolarHBondContact O-OG1 2.95Å
508H86.4Confident89.6Confident35 Ų3552.8 Ų52.816%0.16231%0.307CS..Hα-helixtrans-72.3-44.3178.6-163.887000110.9F218 M219 M355 L505 Q506 D510 T511 M512F218-H508 AromaticContact CE2-CE1 3.97Å; F218-H508 AromaticContact CE2-NE2 3.5Å; M219-H508 HydrophobicContact CE-CB 4.01Å; M355-H508 HydrophobicContact CE-CB 4.18Å; M355-H508 WeakPolarHBondContact CE-CD2 3.11Å; L505-H508 PolarHBondContact O-N 3.1Å; L505-H508 VanDerWaalsContact O-N 3.08Å; Q506-H508 VanDerWaalsContact C-N 3.31Å; Q506-H508 PolarHBondContact O-N 3.35Å; H508-D510 VanDerWaalsContact C-N 3.33Å; H508-D510 PolarHBondContact O-N 2.72Å; H508-T511 PolarHBondContact O-N 3.13Å; H508-M512 WeakPolarHBondContact O-CG 3.49Å; H508-M512 PolarHBondContact O-N 2.78Å
509L88Confident89.5Confident2 Ų256.5 Ų56.51%0.0133%0.331CS..Hα-helixtrans-63.7-36.5177.2-64.6173.2000112.3M355 M358 I369 L505 Q506 T511 M512 M513 L521 Y525M355-L509 HydrophobicContact CE-CD2 3.98Å; M355-L509 HydrophobicContact CE-CG 4.43Å; M355-L509 HydrophobicContact CG-CD2 4.11Å; M355-L509 HydrophobicContact SD-CD2 4.27Å; M358-L509 HydrophobicContact CE-CD2 3.88Å; I369-L509 HydrophobicContact CD1-CB 4.48Å; I369-L509 HydrophobicContact CD1-CD2 4.32Å; I369-L509 HydrophobicContact CG1-CD2 4.21Å; L505-L509 HydrophobicContact CB-CD1 4.26Å; L505-L509 WeakPolarHBondContact O-CG 3.46Å; L505-L509 PolarHBondContact O-N 2.81Å; Q506-L509 PolarHBondContact O-N 3.41Å; L509-T511 VanDerWaalsContact C-N 3.32Å; L509-T511 PolarHBondContact O-N 3.48Å; L509-M512 PolarHBondContact O-N 3.05Å; L509-M513 VanDerWaalsContact O-CG 3.23Å; L509-M513 WeakPolarHBondContact O-CG 3.39Å; L509-M513 PolarHBondContact O-N 3.48Å; L509-L521 HydrophobicContact CB-CD1 4.49Å; L509-L521 HydrophobicContact CB-CD2 3.99Å; L509-Y525 WeakPolarHBondContact CD1-OH 3.38Å
510D88.4Confident89.3Confident45 Ų4559.1 Ų59.124%0.24134%0.342CS..Hα-helixtrans-67-32.8177.1-169.978.2000112.9Q506 H508 M512 M513 K518 L521Q506-D510 WeakPolarHBondContact O-CB 3.5Å; Q506-D510 PolarHBondContact O-N 3.35Å; H508-D510 VanDerWaalsContact C-N 3.33Å; H508-D510 PolarHBondContact O-N 2.72Å; D510-M512 VanDerWaalsContact C-N 3.33Å; D510-M513 PolarHBondContact O-N 3.08Å; D510-K518 WeakPolarHBondContact O-CE 3.28Å; D510-K518 PolarHBondContact O-NZ 2.85Å; D510-K518 IonicContact OD1-NZ 3.53Å; D510-K518 IonicContact OD2-NZ 3.45Å; D510-K518 PolarHBondContact OD2-NZ 3.04Å; D510-L521 HydrophobicContact CB-CD2 4.11Å
511T87.9Confident89.1Confident112 Ų11254.4 Ų54.469%0.68732%0.32SS*.Hα-helixtrans-69-34.2177.7-56.80000111.7S507 H508 L509 M513S507-T511 PolarHBondContact O-N 3.35Å; S507-T511 PolarHBondContact O-OG1 2.95Å; H508-T511 PolarHBondContact O-N 3.13Å; L509-T511 VanDerWaalsContact C-N 3.32Å; L509-T511 PolarHBondContact O-N 3.48Å; T511-M513 VanDerWaalsContact C-N 3.34Å
512M82.1Confident89Confident44 Ų4458.5 Ų58.522%0.21734%0.339CS..Hα-helixtrans-83-11.6-179.4-63.5-62.5-67.500113.3M358 N359 H508 L509 D510M358-M512 HydrophobicContact CE-CB 3.75Å; M358-M512 HydrophobicContact CE-CG 3.91Å; M358-M512 HydrophobicContact CG-CE 4.34Å; M358-M512 HydrophobicContact SD-CB 4.07Å; N359-M512 WeakPolarHBondContact OD1-CE 3.45Å; H508-M512 WeakPolarHBondContact O-CG 3.49Å; H508-M512 PolarHBondContact O-N 2.78Å; L509-M512 PolarHBondContact O-N 3.05Å; D510-M512 VanDerWaalsContact C-N 3.33Å
513M84Confident88.9Confident10 Ų1062.7 Ų62.75%0.04936%0.359CS..SBendtrans-85.5133.8-175.5-84.7-74.4-8300113.4F366 I369 L509 D510 T511 A515 K517 K518 L521F366-M513 HydrophobicContact CD2-CE 4.02Å; F366-M513 HydrophobicContact CD2-SD 4.36Å; I369-M513 HydrophobicContact CB-SD 4.33Å; I369-M513 HydrophobicContact CD1-CG 3.34Å; I369-M513 HydrophobicContact CD1-SD 3.38Å; I369-M513 WeakPolarHBondContact CD1-SD 3.41Å; I369-M513 HydrophobicContact CG1-SD 4.41Å; I369-M513 HydrophobicContact CG2-SD 4.34Å; L509-M513 VanDerWaalsContact O-CG 3.23Å; L509-M513 WeakPolarHBondContact O-CG 3.39Å; L509-M513 PolarHBondContact O-N 3.48Å; D510-M513 PolarHBondContact O-N 3.08Å; T511-M513 VanDerWaalsContact C-N 3.34Å; M513-A515 PolarHBondContact O-N 2.85Å; M513-K517 HydrophobicContact CE-CB 3.59Å; M513-K517 WeakPolarHBondContact CE-O 3.36Å; M513-K518 HydrophobicContact CB-CG 4.22Å; M513-L521 HydrophobicContact CE-CB 4.29Å; M513-L521 HydrophobicContact CG-CD2 4.25Å
514P84.7Confident88.9Confident65 Ų6558.6 Ų58.642%0.42234%0.339SS..  trans-58138.9168-22.532.9000111.4A516 K517 K518P514-A516 PolarHBondContact O-N 3.46Å; P514-A516 VanDerWaalsContact O-N 3.07Å; P514-K517 PolarHBondContact O-N 3.03Å; P514-K518 PolarHBondContact O-N 2.82Å
515A84.7Confident89Confident84 Ų8456.2 Ų56.269%0.69432%0.321SS*.G310 helixtrans-51.8-38.5-176.100000113.4M513 K517 K518M513-A515 PolarHBondContact O-N 2.85Å; A515-K517 PolarHBondContact O-N 3.32Å; A515-K518 PolarHBondContact O-N 2.82Å
516A87.3Confident89.1Confident89 Ų8959 Ų5974%0.73634%0.341SS*.G310 helixtrans-65.8-19.5179.700000114.5P514P514-A516 PolarHBondContact O-N 3.46Å; P514-A516 VanDerWaalsContact O-N 3.07Å
517K88.4Confident89.1Confident96 Ų9658.8 Ų58.842%0.41734%0.34SS..G310 helixtrans-109.9-5-175.3-62.6-65.4-170.3171.70113.3F366 M513 P514 A515 P519 F520F366-K517 HydrophobicContact CD2-CB 3.69Å; F366-K517 HydrophobicContact CD2-CD 3.93Å; F366-K517 HydrophobicContact CD2-CG 3.75Å; F366-K517 HydrophobicContact CE2-CB 4.08Å; F366-K517 HydrophobicContact CE2-CD 3.84Å; F366-K517 HydrophobicContact CE2-CG 4.15Å; F366-K517 HydrophobicContact CG-CB 4.49Å; F366-K517 HydrophobicContact CG-CD 4.36Å; F366-K517 HydrophobicContact CG-CG 4.14Å; F366-K517 HydrophobicContact CZ-CD 4.2Å; M513-K517 HydrophobicContact CE-CB 3.59Å; M513-K517 WeakPolarHBondContact CE-O 3.36Å; P514-K517 PolarHBondContact O-N 3.03Å; A515-K517 PolarHBondContact O-N 3.32Å; K517-P519 VanDerWaalsContact C-N 3.31Å; K517-F520 WeakPolarHBondContact O-CB 3.25Å; K517-F520 PolarHBondContact O-N 3.44Å
518K88.9Confident89.3Confident61 Ų6154.6 Ų54.627%0.26531%0.31SS..Hα-helixtrans-52.6-36.2176.1-67.6-166.9172.8-150.30115D510 M513 P514 A515 F520 L521 Q522D510-K518 WeakPolarHBondContact O-CE 3.28Å; D510-K518 PolarHBondContact O-NZ 2.85Å; D510-K518 IonicContact OD1-NZ 3.53Å; D510-K518 IonicContact OD2-NZ 3.45Å; D510-K518 PolarHBondContact OD2-NZ 3.04Å; M513-K518 HydrophobicContact CB-CG 4.22Å; P514-K518 PolarHBondContact O-N 2.82Å; A515-K518 PolarHBondContact O-N 2.82Å; K518-F520 PolarHBondContact O-N 2.94Å; K518-L521 PolarHBondContact O-N 3.35Å; K518-L521 VanDerWaalsContact O-N 3.13Å; K518-Q522 PolarHBondContact O-N 2.93Å; K518-Q522 VanDerWaalsContact O-N 3.12Å
519P92.7Very high89.7Confident79 Ų7953 Ų5351%0.51330%0.303SS..Hα-helixtrans-57.9-32.9176.4-27.536.6000113.9K517 Q522 Q523K517-P519 VanDerWaalsContact C-N 3.31Å; P519-Q522 PolarHBondContact O-N 2.91Å; P519-Q523 VanDerWaalsContact O-CB 3.31Å; P519-Q523 WeakPolarHBondContact O-CB 3.33Å; P519-Q523 PolarHBondContact O-N 3.46Å
520F92.6Very high90Very high59 Ų5954.7 Ų54.726%0.25932%0.315SS..Hα-helixtrans-62.2-47.1176172.1-94.7000111.4F366 I369 H370 K517 K518 Q522 Q523 F524F366-F520 HydrophobicContact CE2-CB 4.28Å; F366-F520 AromaticContact CE2-CD1 3.98Å; F366-F520 HydrophobicContact CE2-CD1 3.98Å; F366-F520 HydrophobicContact CE2-CG 4.05Å; I369-F520 HydrophobicContact CG2-CE1 4.43Å; H370-F520 AromaticContact CD2-CZ 3.78Å; K517-F520 WeakPolarHBondContact O-CB 3.25Å; K517-F520 PolarHBondContact O-N 3.44Å; K518-F520 PolarHBondContact O-N 2.94Å; F520-Q522 PolarHBondContact O-N 2.98Å; F520-Q523 WeakPolarHBondContact O-CB 3.28Å; F520-Q523 PolarHBondContact O-N 3.35Å; F520-F524 PolarHBondContact O-N 3.19Å
521L91.6Very high90.3Very high3 Ų352.6 Ų52.62%0.01630%0.304CS..Hα-helixtrans-63-45.4179.9-170.264.9000110.9I369 L509 D510 M513 K518 Q523 F524 Y525I369-L521 HydrophobicContact CG2-CD1 3.9Å; L509-L521 HydrophobicContact CB-CD1 4.49Å; L509-L521 HydrophobicContact CB-CD2 3.99Å; D510-L521 HydrophobicContact CB-CD2 4.11Å; M513-L521 HydrophobicContact CE-CB 4.29Å; M513-L521 HydrophobicContact CG-CD2 4.25Å; K518-L521 PolarHBondContact O-N 3.35Å; K518-L521 VanDerWaalsContact O-N 3.13Å; L521-Q523 VanDerWaalsContact C-N 3.3Å; L521-Q523 PolarHBondContact O-N 3.01Å; L521-F524 PolarHBondContact O-N 3.23Å; L521-Y525 HydrophobicContact CD1-CD2 4.06Å; L521-Y525 HydrophobicContact CD1-CE2 3.53Å; L521-Y525 HydrophobicContact CD2-CE2 4.43Å; L521-Y525 HydrophobicContact CG-CD2 3.98Å; L521-Y525 HydrophobicContact CG-CE2 3.77Å; L521-Y525 VanDerWaalsContact O-CD2 3.24Å; L521-Y525 WeakPolarHBondContact O-CD2 3.49Å; L521-Y525 PolarHBondContact O-N 2.96Å
522Q91.6Very high90.6Very high111 Ų11147.2 Ų47.252%0.51927%0.271SS..Hα-helixtrans-60-41.4176.3-67.7176.2-8.100111.8K518 P519 F520 S526K518-Q522 PolarHBondContact O-N 2.93Å; K518-Q522 VanDerWaalsContact O-N 3.12Å; P519-Q522 PolarHBondContact O-N 2.91Å; F520-Q522 PolarHBondContact O-N 2.98Å; Q522-S526 VanDerWaalsContact O-CB 3.29Å; Q522-S526 WeakPolarHBondContact O-CB 3.42Å; Q522-S526 PolarHBondContact O-N 3.15Å; Q522-S526 PolarHBondContact O-OG 3.3Å
523Q92Very high91.2Very high92 Ų9247.6 Ų47.643%0.4328%0.278SS..Hα-helixtrans-63.6-44.6175.9-171.2177.5-6.900111.6P519 F520 L521 Y525 S526 Q527P519-Q523 VanDerWaalsContact O-CB 3.31Å; P519-Q523 WeakPolarHBondContact O-CB 3.33Å; P519-Q523 PolarHBondContact O-N 3.46Å; F520-Q523 WeakPolarHBondContact O-CB 3.28Å; F520-Q523 PolarHBondContact O-N 3.35Å; L521-Q523 VanDerWaalsContact C-N 3.3Å; L521-Q523 PolarHBondContact O-N 3.01Å; Q523-Y525 PolarHBondContact O-N 2.87Å; Q523-S526 WeakPolarHBondContact CA-OG 2.97Å; Q523-S526 PolarHBondContact O-N 3.41Å; Q523-S526 PolarHBondContact O-OG 3.26Å; Q523-Q527 HydrophobicContact CG-CG 3.97Å; Q523-Q527 VanDerWaalsContact CG-OE1 3.29Å; Q523-Q527 WeakPolarHBondContact O-CB 3.29Å; Q523-Q527 WeakPolarHBondContact O-CG 3.44Å; Q523-Q527 PolarHBondContact O-N 3.07Å
524F94.3Very high91.6Very high12 Ų1249 Ų495%0.05328%0.284CS..Hα-helixtrans-58.6-48.3177.8169.8-109.1000112.2S373 F376 F502 F520 L521 T528 V529S373-F524 VanDerWaalsContact CB-CE2 3.48Å; F376-F524 HydrophobicContact CB-CE2 4.34Å; F376-F524 HydrophobicContact CB-CZ 3.9Å; F376-F524 HydrophobicContact CD1-CE2 4.13Å; F376-F524 HydrophobicContact CD1-CZ 4.02Å; F376-F524 HydrophobicContact CG-CZ 4.04Å; F502-F524 AromaticContact CD1-CE1 3.87Å; F502-F524 HydrophobicContact CD1-CE1 3.87Å; F502-F524 HydrophobicContact CD1-CZ 4.08Å; F502-F524 HydrophobicContact CE1-CE1 4.16Å; F502-F524 HydrophobicContact CE1-CZ 4.07Å; F520-F524 PolarHBondContact O-N 3.19Å; L521-F524 PolarHBondContact O-N 3.23Å; F524-T528 HydrophobicContact CE2-CG2 4.18Å; F524-T528 WeakPolarHBondContact O-CA 3.45Å; F524-T528 VanDerWaalsContact O-CB 3.23Å; F524-T528 WeakPolarHBondContact O-CB 3.22Å; F524-T528 PolarHBondContact O-N 2.98Å; F524-T528 PolarHBondContact O-OG1 2.87Å; F524-V529 HydrophobicContact CD1-CG2 4.04Å; F524-V529 HydrophobicContact CE1-CG2 3.49Å; F524-V529 VanDerWaalsContact CE1-CG2 3.49Å; F524-V529 HydrophobicContact CE2-CG2 4.22Å; F524-V529 HydrophobicContact CZ-CG2 3.59Å; F524-V529 PolarHBondContact O-N 3.34Å
525Y94.6Very high92Very high14 Ų1445.9 Ų45.96%0.05526%0.264CS..Hα-helixtrans-65.3-45.9177.1-79.1-76.4000112.9F502 Q506 L509 L521 Q523 V529 S530F502-Y525 HydrophobicContact CB-CE1 4.05Å; F502-Y525 VanDerWaalsContact O-CE1 3.31Å; F502-Y525 WeakPolarHBondContact O-CE1 3.23Å; F502-Y525 PolarHBondContact O-OH 2.81Å; Q506-Y525 HydrophobicContact CB-CD1 4.49Å; Q506-Y525 HydrophobicContact CB-CD2 4.41Å; Q506-Y525 HydrophobicContact CB-CE1 3.99Å; Q506-Y525 HydrophobicContact CB-CE2 3.9Å; Q506-Y525 HydrophobicContact CG-CD1 4.48Å; Q506-Y525 HydrophobicContact CG-CD2 3.77Å; Q506-Y525 HydrophobicContact CG-CE1 4.35Å; Q506-Y525 HydrophobicContact CG-CE2 3.62Å; Q506-Y525 HydrophobicContact CG-CG 4.23Å; L509-Y525 WeakPolarHBondContact CD1-OH 3.38Å; L521-Y525 HydrophobicContact CD1-CD2 4.06Å; L521-Y525 HydrophobicContact CD1-CE2 3.53Å; L521-Y525 HydrophobicContact CD2-CE2 4.43Å; L521-Y525 HydrophobicContact CG-CD2 3.98Å; L521-Y525 HydrophobicContact CG-CE2 3.77Å; L521-Y525 VanDerWaalsContact O-CD2 3.24Å; L521-Y525 WeakPolarHBondContact O-CD2 3.49Å; L521-Y525 PolarHBondContact O-N 2.96Å; Q523-Y525 PolarHBondContact O-N 2.87Å; Y525-V529 HydrophobicContact CD1-CB 3.95Å; Y525-V529 HydrophobicContact CD1-CG1 4.12Å; Y525-V529 HydrophobicContact CD1-CG2 3.81Å; Y525-V529 HydrophobicContact CE1-CG1 4.42Å; Y525-V529 HydrophobicContact CE1-CG2 4.09Å; Y525-V529 HydrophobicContact CG-CG2 4.45Å; Y525-S530 WeakPolarHBondContact O-CB 3.42Å; Y525-S530 PolarHBondContact O-N 3.22Å
526S92.4Very high92.5Very high63 Ų6343.6 Ų43.644%0.44124%0.237SC..Hα-helixtrans-72.5-31.2-176.260.30000113.9Q522 Q523 S530Q522-S526 VanDerWaalsContact O-CB 3.29Å; Q522-S526 WeakPolarHBondContact O-CB 3.42Å; Q522-S526 PolarHBondContact O-N 3.15Å; Q522-S526 PolarHBondContact O-OG 3.3Å; Q523-S526 WeakPolarHBondContact CA-OG 2.97Å; Q523-S526 PolarHBondContact O-N 3.41Å; Q523-S526 PolarHBondContact O-OG 3.26Å; S526-S530 PolarHBondContact O-OG 3.16Å
527Q89.8Confident92.7Very high71 Ų7144 Ų4433%0.33222%0.223SC..Hα-helixtrans-103.6-30.4-175.7-61.2-175-4.900114T434 Q523 T531T434-Q527 PolarHBondContact OG1-O 3.43Å; Q523-Q527 HydrophobicContact CG-CG 3.97Å; Q523-Q527 VanDerWaalsContact CG-OE1 3.29Å; Q523-Q527 WeakPolarHBondContact O-CB 3.29Å; Q523-Q527 WeakPolarHBondContact O-CG 3.44Å; Q523-Q527 PolarHBondContact O-N 3.07Å; Q527-T531 WeakPolarHBondContact O-CG2 3.47Å
528T92.8Very high92.9Very high0 Ų039.6 Ų39.60%020%0.204CC..THydrogen-bonded Turntrans-104-66.5-179.3-44.60000111.6F376 D377 L380 T434 R437 F524 S530 T531F376-T528 HydrophobicContact CD1-CG2 3.8Å; F376-T528 HydrophobicContact CE1-CG2 3.76Å; D377-T528 WeakPolarHBondContact OD1-CG2 3.34Å; L380-T528 HydrophobicContact CD1-CG2 4.26Å; T434-T528 HydrophobicContact CG2-CG2 3.88Å; R437-T528 PolarHBondContact NH2-OG1 3.27Å; F524-T528 HydrophobicContact CE2-CG2 4.18Å; F524-T528 WeakPolarHBondContact O-CA 3.45Å; F524-T528 VanDerWaalsContact O-CB 3.23Å; F524-T528 WeakPolarHBondContact O-CB 3.22Å; F524-T528 PolarHBondContact O-N 2.98Å; F524-T528 PolarHBondContact O-OG1 2.87Å; T528-S530 VanDerWaalsContact C-N 3.31Å; T528-S530 PolarHBondContact O-N 3.46Å; T528-T531 PolarHBondContact O-N 2.84Å; T528-T531 PolarHBondContact O-OG1 2.95Å
529V95.6Very high93.1Very high2 Ų236.7 Ų36.71%0.01219%0.191CC..G310 helixtrans-58.4-44.4-169.9-1780000111F376 A499 F502 E503 F524 Y525 T531 A532F376-V529 HydrophobicContact CD1-CG2 4.37Å; F376-V529 HydrophobicContact CE1-CB 4.45Å; F376-V529 HydrophobicContact CE1-CG2 4.1Å; F376-V529 HydrophobicContact CZ-CB 4.35Å; F376-V529 HydrophobicContact CZ-CG1 4.28Å; F376-V529 HydrophobicContact CZ-CG2 4.25Å; A499-V529 HydrophobicContact CB-CG1 3.84Å; F502-V529 HydrophobicContact CB-CG1 4.28Å; E503-V529 HydrophobicContact CG-CG1 3.94Å; F524-V529 HydrophobicContact CD1-CG2 4.04Å; F524-V529 HydrophobicContact CE1-CG2 3.49Å; F524-V529 VanDerWaalsContact CE1-CG2 3.49Å; F524-V529 HydrophobicContact CE2-CG2 4.22Å; F524-V529 HydrophobicContact CZ-CG2 3.59Å; F524-V529 PolarHBondContact O-N 3.34Å; Y525-V529 HydrophobicContact CD1-CB 3.95Å; Y525-V529 HydrophobicContact CD1-CG1 4.12Å; Y525-V529 HydrophobicContact CD1-CG2 3.81Å; Y525-V529 HydrophobicContact CE1-CG1 4.42Å; Y525-V529 HydrophobicContact CE1-CG2 4.09Å; Y525-V529 HydrophobicContact CG-CG2 4.45Å; V529-T531 PolarHBondContact O-N 2.95Å; V529-T531 VanDerWaalsContact O-N 3.1Å; V529-A532 VanDerWaalsContact O-CB 3.32Å; V529-A532 WeakPolarHBondContact O-CB 3.34Å; V529-A532 PolarHBondContact O-N 3.38Å; V529-A532 VanDerWaalsContact O-N 3.14Å
530S94.4Very high93.2Very high37 Ų3732.9 Ų32.926%0.25917%0.167SC..G310 helixtrans-62.5-20.5178.679.10000114.6R430 Y525 S526 T528R430-S530 PolarHBondContact NH1-OG 3.14Å; Y525-S530 WeakPolarHBondContact O-CB 3.42Å; Y525-S530 PolarHBondContact O-N 3.22Å; S526-S530 PolarHBondContact O-OG 3.16Å; T528-S530 VanDerWaalsContact C-N 3.31Å; T528-S530 PolarHBondContact O-N 3.46Å
531T93.2Very high93.2Very high0 Ų030.6 Ų30.60%016%0.156CC..G310 helixtrans-89.1-9.8-179.266.70000113.6R430 Q527 T528 V529 S533 E534R430-T531 HydrophobicContact CG-CG2 3.8Å; Q527-T531 WeakPolarHBondContact O-CG2 3.47Å; T528-T531 PolarHBondContact O-N 2.84Å; T528-T531 PolarHBondContact O-OG1 2.95Å; V529-T531 PolarHBondContact O-N 2.95Å; V529-T531 VanDerWaalsContact O-N 3.1Å; T531-S533 VanDerWaalsContact C-N 3.29Å; T531-S533 PolarHBondContact O-N 2.78Å; T531-E534 VanDerWaalsContact O-CB 3.26Å; T531-E534 WeakPolarHBondContact O-CB 3.26Å; T531-E534 PolarHBondContact O-N 2.77Å
532A95Very high93.1Very high0 Ų031.1 Ų31.10%016%0.159CC..G310 helixtrans-55.8-42.8-177.200000112.6F376 L380 L495 A499 V529 E534 L535F376-A532 HydrophobicContact CZ-CB 4.02Å; L380-A532 HydrophobicContact CD1-CB 4.21Å; L495-A532 HydrophobicContact CD1-CB 4.29Å; L495-A532 HydrophobicContact CG-CB 4.13Å; A499-A532 HydrophobicContact CB-CB 3.76Å; V529-A532 VanDerWaalsContact O-CB 3.32Å; V529-A532 WeakPolarHBondContact O-CB 3.34Å; V529-A532 PolarHBondContact O-N 3.38Å; V529-A532 VanDerWaalsContact O-N 3.14Å; A532-E534 PolarHBondContact O-N 3.37Å; A532-L535 WeakPolarHBondContact O-CB 3.48Å; A532-L535 PolarHBondContact O-N 2.96Å
533S94.6Very high93.1Very high52 Ų5225.9 Ų25.936%0.36413%0.134SC..G310 helixtrans-68.7-19.2178.268.40000114.2T531 L535 R536T531-S533 VanDerWaalsContact C-N 3.29Å; T531-S533 PolarHBondContact O-N 2.78Å; S533-L535 PolarHBondContact O-N 3.13Å; S533-R536 WeakPolarHBondContact O-CB 3.47Å; S533-R536 WeakPolarHBondContact O-CG 3.46Å; S533-R536 PolarHBondContact O-N 2.79Å
534E92.9Very high93.2Very high39 Ų3921.5 Ų21.518%0.18211%0.114CC..G310 helixtrans-68.8-23.9177.3-61.2-176-152.900111.8S428 R430 L431 T531 A532 R536 K537 P538S428-E534 WeakPolarHBondContact CB-OE2 3.47Å; S428-E534 PolarHBondContact OG-OE2 3.26Å; R430-E534 IonicContact CZ-OE1 3.22Å; R430-E534 IonicContact NE-OE1 2.81Å; R430-E534 PolarHBondContact NE-OE1 2.88Å; R430-E534 IonicContact NH2-OE1 2.85Å; R430-E534 PolarHBondContact NH2-OE1 2.81Å; L431-E534 HydrophobicContact CD2-CB 3.99Å; T531-E534 VanDerWaalsContact O-CB 3.26Å; T531-E534 WeakPolarHBondContact O-CB 3.26Å; T531-E534 PolarHBondContact O-N 2.77Å; A532-E534 PolarHBondContact O-N 3.37Å; E534-R536 PolarHBondContact O-N 2.77Å; E534-R536 VanDerWaalsContact O-N 3.16Å; E534-K537 PolarHBondContact O-N 3.22Å; E534-K537 VanDerWaalsContact O-N 3.14Å; E534-P538 WeakPolarHBondContact O-CD 3.4Å
535L93.6Very high93Very high0 Ų021.9 Ų21.90%012%0.119CC..G310 helixtrans-62.9-18.8177.6-75.8174.8000113.8L380 Y384 L431 L495 A532 S533 K537 P538 I539L380-L535 HydrophobicContact CD2-CD1 4.26Å; L380-L535 HydrophobicContact CG-CD1 3.94Å; Y384-L535 HydrophobicContact CD2-CD2 3.62Å; Y384-L535 HydrophobicContact CG-CD2 4.12Å; L431-L535 HydrophobicContact CD1-CD2 4.31Å; L431-L535 HydrophobicContact CD1-CG 4.4Å; L431-L535 HydrophobicContact CD2-CD2 3.92Å; L431-L535 HydrophobicContact CD2-CG 4.31Å; L495-L535 HydrophobicContact CD2-CD1 3.51Å; A532-L535 WeakPolarHBondContact O-CB 3.48Å; A532-L535 PolarHBondContact O-N 2.96Å; S533-L535 PolarHBondContact O-N 3.13Å; L535-K537 PolarHBondContact O-N 2.69Å; L535-P538 HydrophobicContact CD2-CG 4.27Å; L535-P538 VanDerWaalsContact O-CD 3.26Å; L535-P538 WeakPolarHBondContact O-CD 3.15Å; L535-P538 WeakPolarHBondContact O-CG 3.49Å; L535-I539 HydrophobicContact CB-CD1 4.03Å; L535-I539 WeakPolarHBondContact O-CB 3.32Å; L535-I539 WeakPolarHBondContact O-CD1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.26Å; L535-I539 PolarHBondContact O-N 3.41Å
536R94.7Very high92.8Very high35 Ų3525 Ų2513%0.13213%0.133CC..Hα-helixtrans-51.4-42.2170.9-68.9-178.3175.5131.3-4.7111.6T492 E493 S533 E534 Y540 V605T492-R536 HydrophobicContact CG2-CB 4.38Å; T492-R536 HydrophobicContact CG2-CG 3.56Å; E493-R536 IonicContact OE1-CZ 3.45Å; E493-R536 IonicContact OE1-NE 3.62Å; E493-R536 PolarHBondContact OE1-NE 3.41Å; E493-R536 IonicContact OE1-NH2 2.91Å; E493-R536 PolarHBondContact OE1-NH2 2.84Å; E493-R536 IonicContact OE2-CZ 2.77Å; E493-R536 IonicContact OE2-NE 3.65Å; E493-R536 IonicContact OE2-NH2 3.66Å; E493-R536 PolarHBondContact OE2-NH2 3.49Å; S533-R536 WeakPolarHBondContact O-CB 3.47Å; S533-R536 WeakPolarHBondContact O-CG 3.46Å; S533-R536 PolarHBondContact O-N 2.79Å; E534-R536 PolarHBondContact O-N 2.77Å; E534-R536 VanDerWaalsContact O-N 3.16Å; R536-Y540 HydrophobicContact CB-CD2 3.84Å; R536-Y540 HydrophobicContact CB-CE2 3.7Å; R536-Y540 HydrophobicContact CG-CD2 4.45Å; R536-Y540 HydrophobicContact CG-CE2 3.79Å; R536-Y540 VanDerWaalsContact O-CB 3.29Å; R536-Y540 WeakPolarHBondContact O-CB 3.34Å; R536-Y540 WeakPolarHBondContact O-CD2 3.21Å; R536-Y540 VanDerWaalsContact O-CG 3.31Å; R536-Y540 PolarHBondContact O-N 3.27Å; R536-V605 HydrophobicContact CB-CG2 4.45Å
537K92.1Very high92.7Very high98 Ų9822.1 Ų22.143%0.42611%0.113SC..Hα-helixtrans-62.5-62.3-176.4-66.9-179.8178.7-178.90112.7E534 L535 I539 W541 H609E534-K537 PolarHBondContact O-N 3.22Å; E534-K537 VanDerWaalsContact O-N 3.14Å; L535-K537 PolarHBondContact O-N 2.69Å; K537-I539 VanDerWaalsContact C-N 3.3Å; K537-I539 PolarHBondContact O-N 3.34Å; K537-W541 WeakPolarHBondContact O-CB 3.41Å; K537-W541 PolarHBondContact O-N 3.45Å; K537-H609 PolarHBondContact O-NE2 3.16Å; K537-H609 VanDerWaalsContact O-NE2 3.13Å
538P92.1Very high92.8Very high3 Ų318.9 Ų18.92%0.01910%0.098CC..Hα-helixtrans-62.9-35.1-179.225.6-35.1000112.9I427 E534 L535I427-P538 HydrophobicContact CG1-CB 4.09Å; I427-P538 HydrophobicContact CG1-CG 4.16Å; E534-P538 WeakPolarHBondContact O-CD 3.4Å; L535-P538 HydrophobicContact CD2-CG 4.27Å; L535-P538 VanDerWaalsContact O-CD 3.26Å; L535-P538 WeakPolarHBondContact O-CD 3.15Å; L535-P538 WeakPolarHBondContact O-CG 3.49Å
539I93.5Very high92.8Very high0 Ų022.5 Ų22.50%012%0.118CC..Hα-helixtrans-68-47-178.3-68.4172.7000111.9V383 F387 R488 T492 L535 K537V383-I539 HydrophobicContact CG1-CD1 3.83Å; F387-I539 HydrophobicContact CB-CB 4.47Å; F387-I539 HydrophobicContact CB-CD1 4.06Å; F387-I539 HydrophobicContact CB-CG1 3.89Å; F387-I539 HydrophobicContact CB-CG2 3.89Å; R488-I539 HydrophobicContact CB-CG2 3.86Å; R488-I539 HydrophobicContact CG-CG2 4Å; R488-I539 PolarHBondContact NH1-O 2.84Å; R488-I539 VanDerWaalsContact NH1-O 3.13Å; T492-I539 HydrophobicContact CG2-CD1 4.34Å; T492-I539 WeakPolarHBondContact OG1-CD1 3.26Å; L535-I539 HydrophobicContact CB-CD1 4.03Å; L535-I539 WeakPolarHBondContact O-CB 3.32Å; L535-I539 WeakPolarHBondContact O-CD1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.26Å; L535-I539 PolarHBondContact O-N 3.41Å; K537-I539 VanDerWaalsContact C-N 3.3Å; K537-I539 PolarHBondContact O-N 3.34Å
540Y94.3Very high92.7Very high0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-81.7-21.2-178.1-60.8-43.8000112.7L485 R488 V489 T492 R536 I542 V543 A544 V602 V605 L606L485-Y540 HydrophobicContact CD1-CD1 4.13Å; L485-Y540 HydrophobicContact CD1-CE1 4.25Å; R488-Y540 HydrophobicContact CB-CE1 4.24Å; V489-Y540 HydrophobicContact CG2-CE1 4.09Å; T492-Y540 HydrophobicContact CG2-CE2 4.48Å; R536-Y540 HydrophobicContact CB-CD2 3.84Å; R536-Y540 HydrophobicContact CB-CE2 3.7Å; R536-Y540 HydrophobicContact CG-CD2 4.45Å; R536-Y540 HydrophobicContact CG-CE2 3.79Å; R536-Y540 VanDerWaalsContact O-CB 3.29Å; R536-Y540 WeakPolarHBondContact O-CB 3.34Å; R536-Y540 WeakPolarHBondContact O-CD2 3.21Å; R536-Y540 VanDerWaalsContact O-CG 3.31Å; R536-Y540 PolarHBondContact O-N 3.27Å; Y540-I542 VanDerWaalsContact C-N 3.28Å; Y540-I542 PolarHBondContact O-N 3.2Å; Y540-V543 PolarHBondContact O-N 3.39Å; Y540-A544 PolarHBondContact O-N 3.17Å; Y540-V602 HydrophobicContact CD1-CG1 4.43Å; Y540-V602 HydrophobicContact CD2-CG1 4.08Å; Y540-V602 HydrophobicContact CE1-CG1 3.87Å; Y540-V602 HydrophobicContact CE2-CB 4.04Å; Y540-V602 HydrophobicContact CE2-CG1 3.48Å; Y540-V602 VanDerWaalsContact CE2-CG1 3.48Å; Y540-V602 HydrophobicContact CE2-CG2 3.83Å; Y540-V602 WeakPolarHBondContact OH-CG2 3.22Å; Y540-V605 HydrophobicContact CD2-CB 4.28Å; Y540-V605 HydrophobicContact CD2-CG1 3.92Å; Y540-L606 HydrophobicContact CD1-CD2 4.24Å; Y540-L606 HydrophobicContact CD1-CG 4.49Å; Y540-L606 HydrophobicContact CG-CD2 4.16Å; Y540-L606 HydrophobicContact CG-CG 4.23Å
541W92.1Very high92.6Very high11 Ų1127.4 Ų27.44%0.04214%0.136CC..Hα-helixtrans-54.3-44.5169.5174.9-100.5000112.3Y419 L424 L426 K537 V543 A544 A545 H609 L613Y419-W541 HydrophobicContact CD1-CZ2 4.04Å; Y419-W541 HydrophobicContact CE1-CZ2 4.04Å; L424-W541 HydrophobicContact CD1-CH2 3.19Å; L424-W541 HydrophobicContact CD1-CZ2 3.25Å; L424-W541 HydrophobicContact CD1-CZ3 4Å; L424-W541 HydrophobicContact CD2-CH2 3.95Å; L424-W541 HydrophobicContact CD2-CZ3 4.12Å; L424-W541 HydrophobicContact CG-CH2 4.2Å; L426-W541 HydrophobicContact CD1-CB 4.2Å; L426-W541 HydrophobicContact CD1-CD2 3.85Å; L426-W541 HydrophobicContact CD1-CG 3.57Å; L426-W541 HydrophobicContact CD2-CB 4.12Å; L426-W541 HydrophobicContact CD2-CD2 3.84Å; L426-W541 HydrophobicContact CD2-CE3 3.86Å; L426-W541 HydrophobicContact CD2-CG 3.95Å; L426-W541 HydrophobicContact CG-CD2 4.5Å; L426-W541 HydrophobicContact CG-CG 4.43Å; K537-W541 WeakPolarHBondContact O-CB 3.41Å; K537-W541 PolarHBondContact O-N 3.45Å; W541-V543 PolarHBondContact O-N 3.42Å; W541-A544 PolarHBondContact O-N 2.97Å; W541-A545 WeakPolarHBondContact O-CB 3.47Å; W541-A545 PolarHBondContact O-N 3.42Å; W541-H609 HydrophobicContact CE3-CB 3.88Å; W541-H609 AromaticContact CE3-CG 3.67Å; W541-H609 AromaticContact CE3-ND1 3.45Å; W541-H609 HydrophobicContact CZ3-CB 4.27Å; W541-H609 AromaticContact CZ3-ND1 3.92Å; W541-L613 HydrophobicContact CE3-CD1 4.23Å; W541-L613 HydrophobicContact CE3-CG 4.49Å; W541-L613 HydrophobicContact CH2-CD1 3.79Å; W541-L613 HydrophobicContact CH2-CD2 3.18Å; W541-L613 HydrophobicContact CH2-CG 3.3Å; W541-L613 HydrophobicContact CZ2-CD1 4.26Å; W541-L613 HydrophobicContact CZ2-CD2 3.56Å; W541-L613 HydrophobicContact CZ2-CG 4.06Å; W541-L613 HydrophobicContact CZ3-CD1 3.76Å; W541-L613 HydrophobicContact CZ3-CD2 3.99Å; W541-L613 HydrophobicContact CZ3-CG 3.56Å
542I89.4Confident92.6Very high14 Ų1431.2 Ų31.27%0.07215%0.154CC..Hα-helixtrans-60.9-37.1-179.6-66.7162.2000111.2F387 Y540 K546F387-I542 VanDerWaalsContact O-CD1 3.25Å; F387-I542 WeakPolarHBondContact O-CD1 3.42Å; Y540-I542 VanDerWaalsContact C-N 3.28Å; Y540-I542 PolarHBondContact O-N 3.2Å; I542-K546 WeakPolarHBondContact O-CG 3.45Å
543V92.5Very high92.5Very high0 Ų031.4 Ų31.40%015%0.154CC..Hα-helixtrans-68.8-50.3175.5179.70000109.8L482 L485 Y540 W541 A545 K546 A547 L606L482-V543 HydrophobicContact CB-CG1 4.41Å; L482-V543 WeakPolarHBondContact O-CG1 3.33Å; L485-V543 HydrophobicContact CD1-CG1 4.39Å; L485-V543 HydrophobicContact CD1-CG2 4.26Å; Y540-V543 PolarHBondContact O-N 3.39Å; W541-V543 PolarHBondContact O-N 3.42Å; V543-A545 VanDerWaalsContact C-N 3.35Å; V543-A545 PolarHBondContact O-N 3.25Å; V543-K546 CarbonylContact O-C 3.6Å; V543-K546 PolarHBondContact O-N 2.82Å; V543-K546 VanDerWaalsContact O-N 3.14Å; V543-A547 VanDerWaalsContact O-CB 3.23Å; V543-A547 WeakPolarHBondContact O-CB 3.43Å; V543-A547 PolarHBondContact O-N 2.84Å; V543-L606 HydrophobicContact CB-CD2 4.24Å; V543-L606 HydrophobicContact CG1-CD2 4.22Å
544A92.4Very high92.5Very high0 Ų030.1 Ų30.10%014%0.144CC..Hα-helixtrans-58.8-43.5-179.300000112.6Y540 W541 K546 A547 H609 L613Y540-A544 PolarHBondContact O-N 3.17Å; W541-A544 PolarHBondContact O-N 2.97Å; A544-K546 PolarHBondContact O-N 3.18Å; A544-A547 PolarHBondContact O-N 3.19Å; A544-H609 HydrophobicContact CB-CB 3.46Å; A544-H609 VanDerWaalsContact CB-CB 3.46Å; A544-L613 HydrophobicContact CB-CD1 3.98Å
545A90.6Very high92.5Very high20 Ų2034 Ų3417%0.16517%0.165CC..Hα-helixtrans-61.1-24.6178.700000113.8Y419 W541 V543 L613Y419-A545 HydrophobicContact CE1-CB 3.99Å; W541-A545 WeakPolarHBondContact O-CB 3.47Å; W541-A545 PolarHBondContact O-N 3.42Å; V543-A545 VanDerWaalsContact C-N 3.35Å; V543-A545 PolarHBondContact O-N 3.25Å; A545-L613 HydrophobicContact CB-CD1 4.22Å
546K90.5Very high92.6Very high79 Ų7936.6 Ų36.634%0.34318%0.178SC..Hα-helixtrans-106.5-16.1179-61.3-179179.7-177.90113.4Y483 I542 V543 A544 I548Y483-K546 HydrophobicContact CD1-CB 4.37Å; Y483-K546 HydrophobicContact CD1-CD 3.83Å; Y483-K546 HydrophobicContact CD2-CB 3.66Å; Y483-K546 HydrophobicContact CD2-CD 4.4Å; Y483-K546 HydrophobicContact CE1-CB 4.06Å; Y483-K546 HydrophobicContact CE1-CD 3.92Å; Y483-K546 HydrophobicContact CE2-CB 3.31Å; Y483-K546 WeakPolarHBondContact CE2-O 3.5Å; Y483-K546 HydrophobicContact CG-CB 4.19Å; Y483-K546 HydrophobicContact CG-CD 4.07Å; Y483-K546 PolarHBondContact OH-O 3.14Å; I542-K546 WeakPolarHBondContact O-CG 3.45Å; V543-K546 CarbonylContact O-C 3.6Å; V543-K546 PolarHBondContact O-N 2.82Å; V543-K546 VanDerWaalsContact O-N 3.14Å; A544-K546 PolarHBondContact O-N 3.18Å; K546-I548 VanDerWaalsContact C-N 3.32Å; K546-I548 PolarHBondContact O-N 3.39Å
547A90.7Very high92.6Very high3 Ų335.1 Ų35.13%0.02517%0.172CC..Hα-helixtrans-69-31.4-173.700000112.7V543 A544 F585 R588V543-A547 VanDerWaalsContact O-CB 3.23Å; V543-A547 WeakPolarHBondContact O-CB 3.43Å; V543-A547 PolarHBondContact O-N 2.84Å; A544-A547 PolarHBondContact O-N 3.19Å; A547-F585 HydrophobicContact CB-CD2 3.84Å; A547-F585 HydrophobicContact CB-CE2 4.18Å; A547-R588 PolarHBondContact O-NH2 2.99Å
548I92.8Very high92.6Very high4 Ų434.2 Ų34.22%0.02118%0.183CC..SBendtrans-122.5137.7-178.1-62.4175.6000108.6K546 Y550 L578 E581 F582 C610K546-I548 VanDerWaalsContact C-N 3.32Å; K546-I548 PolarHBondContact O-N 3.39Å; I548-Y550 VanDerWaalsContact C-N 3.34Å; I548-Y550 HydrophobicContact CB-CD2 4.5Å; I548-Y550 HydrophobicContact CB-CE1 3.94Å; I548-Y550 HydrophobicContact CB-CE2 3.92Å; I548-Y550 HydrophobicContact CG2-CD1 4.05Å; I548-Y550 HydrophobicContact CG2-CE1 3.75Å; I548-Y550 HydrophobicContact CG2-CE2 4.46Å; I548-Y550 WeakPolarHBondContact O-CD2 3.23Å; I548-Y550 WeakPolarHBondContact O-CE2 3.48Å; I548-Y550 PolarHBondContact O-N 3.32Å; I548-L578 HydrophobicContact CG2-CD1 4.1Å; I548-E581 HydrophobicContact CG1-CB 4.33Å; I548-E581 HydrophobicContact CG2-CB 3.88Å; I548-E581 HydrophobicContact CG2-CG 4.35Å; I548-F582 HydrophobicContact CD1-CD1 3.96Å; I548-F582 HydrophobicContact CD1-CD2 4.21Å; I548-F582 HydrophobicContact CD1-CE1 3.84Å; I548-F582 HydrophobicContact CD1-CE2 4.06Å; I548-F582 HydrophobicContact CD1-CG 4.16Å; I548-F582 HydrophobicContact CD1-CZ 3.88Å; I548-C610 HydrophobicContact CD1-CB 4.15Å
549D92Very high92.5Very high76 Ų7637.2 Ų37.241%0.40621%0.214SC..  trans-79.580.9177.3-168.3-16.9000111.4E551 Q552 M553D549-E551 VanDerWaalsContact C-N 3.25Å; D549-E551 PolarHBondContact O-N 2.97Å; D549-E551 PolarHBondContact OD1-N 3.19Å; D549-Q552 HydrophobicContact CB-CB 4.1Å; D549-Q552 VanDerWaalsContact CG-CB 3.4Å; D549-Q552 WeakPolarHBondContact OD1-CB 3.39Å; D549-Q552 PolarHBondContact OD1-N 3.39Å; D549-Q552 WeakPolarHBondContact OD2-CB 3.42Å; D549-M553 WeakPolarHBondContact O-CG 3.33Å; D549-M553 PolarHBondContact O-N 3.31Å
550Y92.8Very high92.4Very high10 Ų1038.5 Ų38.54%0.03922%0.222CC..Hα-helixtrans-66.3-26.8177.7-58.5-70.6000113I548 M553 L554 C610 L613 A614 T617I548-Y550 VanDerWaalsContact C-N 3.34Å; I548-Y550 HydrophobicContact CB-CD2 4.5Å; I548-Y550 HydrophobicContact CB-CE1 3.94Å; I548-Y550 HydrophobicContact CB-CE2 3.92Å; I548-Y550 HydrophobicContact CG2-CD1 4.05Å; I548-Y550 HydrophobicContact CG2-CE1 3.75Å; I548-Y550 HydrophobicContact CG2-CE2 4.46Å; I548-Y550 WeakPolarHBondContact O-CD2 3.23Å; I548-Y550 WeakPolarHBondContact O-CE2 3.48Å; I548-Y550 PolarHBondContact O-N 3.32Å; Y550-M553 WeakPolarHBondContact O-CB 3.35Å; Y550-M553 PolarHBondContact O-N 3.35Å; Y550-L554 PolarHBondContact O-N 3.47Å; Y550-L554 VanDerWaalsContact O-N 3.17Å; Y550-C610 WeakPolarHBondContact OH-CA 3.37Å; Y550-C610 PolarHBondContact OH-O 2.69Å; Y550-L613 HydrophobicContact CD1-CB 4.36Å; Y550-L613 HydrophobicContact CD2-CB 4.49Å; Y550-L613 HydrophobicContact CE1-CB 3.65Å; Y550-L613 HydrophobicContact CE2-CB 3.8Å; Y550-L613 HydrophobicContact CE2-CD1 3.84Å; Y550-L613 HydrophobicContact CE2-CD2 4.47Å; Y550-L613 HydrophobicContact CE2-CG 4.26Å; Y550-L613 VanDerWaalsContact OH-CB 3.31Å; Y550-L613 WeakPolarHBondContact OH-CB 3.17Å; Y550-A614 HydrophobicContact CE1-CB 4.15Å; Y550-T617 HydrophobicContact CD1-CG2 4.46Å; Y550-T617 WeakPolarHBondContact CD1-OG1 3.42Å; Y550-T617 WeakPolarHBondContact O-CG2 3.34Å
551E91.8Very high92.2Very high131 Ų13146.9 Ų46.961%0.61226%0.259SS*.Hα-helixtrans-70.2-43.9179.4-174.8173.8-178.500110.7D549 M553 L554 L555D549-E551 VanDerWaalsContact C-N 3.25Å; D549-E551 PolarHBondContact O-N 2.97Å; D549-E551 PolarHBondContact OD1-N 3.19Å; E551-M553 PolarHBondContact O-N 2.75Å; E551-L554 PolarHBondContact O-N 3.15Å; E551-L554 VanDerWaalsContact O-N 3.15Å; E551-L555 WeakPolarHBondContact O-CG 3.45Å; E551-L555 PolarHBondContact O-N 3.02Å
552Q93.4Very high92.2Very high81 Ų8146.8 Ų46.838%0.37926%0.258SS..Hα-helixtrans-56.7-38.5171.8-176.9178.940.300111.5D549 L554 L555 M556D549-Q552 HydrophobicContact CB-CB 4.1Å; D549-Q552 VanDerWaalsContact CG-CB 3.4Å; D549-Q552 WeakPolarHBondContact OD1-CB 3.39Å; D549-Q552 PolarHBondContact OD1-N 3.39Å; D549-Q552 WeakPolarHBondContact OD2-CB 3.42Å; Q552-L554 PolarHBondContact O-N 3.48Å; Q552-L555 PolarHBondContact O-N 2.8Å; Q552-M556 HydrophobicContact CG-SD 4.38Å; Q552-M556 WeakPolarHBondContact O-CG 3.31Å; Q552-M556 PolarHBondContact O-N 3Å
553M94.1Very high92.1Very high3 Ų351.2 Ų51.22%0.01528%0.282CS..Hα-helixtrans-62.9-44.5177.6-61.2-50.7107.300111.5D549 Y550 E551 L555 M556 M557 V577 L578 T617D549-M553 WeakPolarHBondContact O-CG 3.33Å; D549-M553 PolarHBondContact O-N 3.31Å; Y550-M553 WeakPolarHBondContact O-CB 3.35Å; Y550-M553 PolarHBondContact O-N 3.35Å; E551-M553 PolarHBondContact O-N 2.75Å; M553-L555 VanDerWaalsContact C-N 3.33Å; M553-L555 PolarHBondContact O-N 3.06Å; M553-M556 HydrophobicContact CE-SD 4.36Å; M553-M556 PolarHBondContact O-N 2.97Å; M553-M557 WeakPolarHBondContact O-CB 3.39Å; M553-M557 VanDerWaalsContact O-CG 3.27Å; M553-M557 WeakPolarHBondContact O-CG 3.25Å; M553-M557 PolarHBondContact O-N 2.94Å; M553-V577 HydrophobicContact CE-CB 4.35Å; M553-V577 HydrophobicContact CE-CG1 3.57Å; M553-V577 HydrophobicContact SD-CG1 4.32Å; M553-L578 HydrophobicContact CG-CD1 4.12Å; M553-L578 HydrophobicContact SD-CB 3.8Å; M553-L578 HydrophobicContact SD-CD1 4.38Å; M553-T617 HydrophobicContact CB-CG2 4.04Å
554L93.6Very high91.9Very high26 Ų2652.6 Ų52.614%0.13629%0.289CS..Hα-helixtrans-61.9-40.9176.1-68.5174.1000112.1L418 Y550 E551 Q552 M557 A558 T617 E620L418-L554 HydrophobicContact CD1-CD1 4Å; L418-L554 HydrophobicContact CD2-CD1 4.18Å; Y550-L554 PolarHBondContact O-N 3.47Å; Y550-L554 VanDerWaalsContact O-N 3.17Å; E551-L554 PolarHBondContact O-N 3.15Å; E551-L554 VanDerWaalsContact O-N 3.15Å; Q552-L554 PolarHBondContact O-N 3.48Å; L554-M557 PolarHBondContact O-N 3.01Å; L554-A558 WeakPolarHBondContact O-CB 3.44Å; L554-A558 PolarHBondContact O-N 2.94Å; L554-T617 HydrophobicContact CD2-CG2 3.81Å; L554-T617 WeakPolarHBondContact CD2-O 2.87Å; L554-T617 HydrophobicContact CG-CG2 3.77Å; L554-E620 HydrophobicContact CD2-CB 4.11Å; L554-E620 HydrophobicContact CD2-CG 4.14Å
555L94.4Very high91.4Very high120 Ų12062.1 Ų62.163%0.62833%0.331SS*.Hα-helixtrans-62.8-43176.7-70173.1000111.8E551 Q552 M553 A558 G559E551-L555 WeakPolarHBondContact O-CG 3.45Å; E551-L555 PolarHBondContact O-N 3.02Å; Q552-L555 PolarHBondContact O-N 2.8Å; M553-L555 VanDerWaalsContact C-N 3.33Å; M553-L555 PolarHBondContact O-N 3.06Å; L555-A558 PolarHBondContact O-N 3.34Å; L555-G559 PolarHBondContact O-N 2.98Å
556M94.1Very high91Very high55 Ų5568.9 Ų68.927%0.27136%0.359SS..Hα-helixtrans-64.7-44.3176.1-69.1-178.372.800111.7Q552 M553 A558 G559 V573 V577Q552-M556 HydrophobicContact CG-SD 4.38Å; Q552-M556 WeakPolarHBondContact O-CG 3.31Å; Q552-M556 PolarHBondContact O-N 3Å; M553-M556 HydrophobicContact CE-SD 4.36Å; M553-M556 PolarHBondContact O-N 2.97Å; M556-A558 VanDerWaalsContact C-N 3.3Å; M556-A558 PolarHBondContact O-N 3.08Å; M556-G559 PolarHBondContact O-N 3.15Å; M556-G559 VanDerWaalsContact O-N 3.12Å; M556-V573 HydrophobicContact CE-CB 4.39Å; M556-V573 HydrophobicContact CE-CG1 4.07Å; M556-V577 HydrophobicContact CE-CB 4.27Å; M556-V577 HydrophobicContact CE-CG2 3.73Å; M556-V577 HydrophobicContact SD-CB 4.16Å; M556-V577 HydrophobicContact SD-CG1 4.21Å; M556-V577 HydrophobicContact SD-CG2 4.13Å
557M94.8Very high90.3Very high3 Ų369.7 Ų69.72%0.01537%0.366CS..Hα-helixtrans-63-34.7177.4-70.4179.778.400112.5M553 L554 G559 V560 Y574 L618 Y622M553-M557 WeakPolarHBondContact O-CB 3.39Å; M553-M557 VanDerWaalsContact O-CG 3.27Å; M553-M557 WeakPolarHBondContact O-CG 3.25Å; M553-M557 PolarHBondContact O-N 2.94Å; L554-M557 PolarHBondContact O-N 3.01Å; M557-G559 PolarHBondContact O-N 3.13Å; M557-V560 WeakPolarHBondContact O-CB 3.45Å; M557-V560 PolarHBondContact O-N 3.25Å; M557-Y574 HydrophobicContact CE-CE2 4.26Å; M557-Y574 HydrophobicContact CG-CD1 3.87Å; M557-Y574 HydrophobicContact CG-CD2 3.85Å; M557-Y574 HydrophobicContact CG-CE1 3.98Å; M557-Y574 HydrophobicContact CG-CE2 3.99Å; M557-Y574 HydrophobicContact CG-CG 3.81Å; M557-Y574 HydrophobicContact SD-CD2 4.29Å; M557-Y574 HydrophobicContact SD-CE2 4.08Å; M557-L618 HydrophobicContact CE-CD2 4.2Å; M557-L618 WeakPolarHBondContact CE-O 3.42Å; M557-L618 HydrophobicContact SD-CD2 4.1Å; M557-Y622 HydrophobicContact CE-CD1 3.57Å; M557-Y622 HydrophobicContact CE-CE1 3.42Å; M557-Y622 VanDerWaalsContact CE-CE1 3.42Å; M557-Y622 HydrophobicContact CE-CG 4.29Å
558A92.6Very high89.5Confident80 Ų8074.7 Ų74.766%0.66139%0.39SS*.Hα-helixtrans-65.2-25.9175.400000113.2L554 L555 M556L554-A558 WeakPolarHBondContact O-CB 3.44Å; L554-A558 PolarHBondContact O-N 2.94Å; L555-A558 PolarHBondContact O-N 3.34Å; M556-A558 VanDerWaalsContact C-N 3.3Å; M556-A558 PolarHBondContact O-N 3.08Å
559G89.6Confident88.9Confident65 Ų6580.5 Ų80.567%0.6743%0.431SS*.THydrogen-bonded Turntrans-79.6-13.1175.100000114.6L555 M556 M557L555-G559 PolarHBondContact O-N 2.98Å; M556-G559 PolarHBondContact O-N 3.15Å; M556-G559 VanDerWaalsContact O-N 3.12Å; M557-G559 PolarHBondContact O-N 3.13Å
560V92.3Very high88.6Confident28 Ų2883.8 Ų83.817%0.1744%0.444CS..  trans-76.6134-178.5179.10000110.6M557 W562 N572 Y574M557-V560 WeakPolarHBondContact O-CB 3.45Å; M557-V560 PolarHBondContact O-N 3.25Å; V560-W562 HydrophobicContact CB-CZ2 4Å; V560-W562 HydrophobicContact CG1-CD2 3.95Å; V560-W562 HydrophobicContact CG1-CE3 4.35Å; V560-W562 HydrophobicContact CG1-CG 4.45Å; V560-W562 HydrophobicContact CG1-CH2 4.15Å; V560-W562 HydrophobicContact CG1-CZ2 3.72Å; V560-W562 HydrophobicContact CG1-CZ3 4.42Å; V560-W562 VanDerWaalsContact O-CD1 3.26Å; V560-N572 HydrophobicContact CG2-CB 4.47Å; V560-Y574 HydrophobicContact CG2-CD1 4.15Å; V560-Y574 HydrophobicContact CG2-CE1 4.39Å
561K89.9Confident88.6Confident175 Ų17585.4 Ų85.476%0.76145%0.452SS*.  trans-88.4113.3172.4-68.2-178.1-179.1176.50109.8I564K561-I564 WeakPolarHBondContact O-CG2 3.21Å
562W91.2Very high88.7Confident10 Ų1080.5 Ų80.54%0.03843%0.43CS..  trans-94.9-1.7179.8-58.296.6000114V560 Y574 Y622 V625 C628 S629 G632 L635 M636V560-W562 HydrophobicContact CB-CZ2 4Å; V560-W562 HydrophobicContact CG1-CD2 3.95Å; V560-W562 HydrophobicContact CG1-CE3 4.35Å; V560-W562 HydrophobicContact CG1-CG 4.45Å; V560-W562 HydrophobicContact CG1-CH2 4.15Å; V560-W562 HydrophobicContact CG1-CZ2 3.72Å; V560-W562 HydrophobicContact CG1-CZ3 4.42Å; V560-W562 VanDerWaalsContact O-CD1 3.26Å; W562-Y574 HydrophobicContact CH2-CE1 4.29Å; W562-Y574 HydrophobicContact CZ2-CE1 4.41Å; W562-Y622 HydrophobicContact CH2-CD1 4.24Å; W562-Y622 AromaticContact CH2-CE1 3.74Å; W562-Y622 HydrophobicContact CH2-CE1 3.74Å; W562-Y622 HydrophobicContact CZ2-CD1 4.16Å; W562-Y622 HydrophobicContact CZ2-CE1 4.01Å; W562-V625 HydrophobicContact CB-CG1 3.75Å; W562-V625 HydrophobicContact CD2-CG2 4.34Å; W562-V625 HydrophobicContact CG-CG1 3.82Å; W562-V625 HydrophobicContact CG-CG2 3.89Å; W562-C628 HydrophobicContact CB-CB 4.39Å; W562-S629 PolarHBondContact O-N 2.93Å; W562-S629 PolarHBondContact O-OG 3.43Å; W562-G632 WeakPolarHBondContact O-CA 3.3Å; W562-L635 HydrophobicContact CZ3-CB 4.44Å; W562-L635 HydrophobicContact CZ3-CD2 4.43Å; W562-L635 HydrophobicContact CZ3-CG 4.25Å; W562-M636 HydrophobicContact CB-CE 4.37Å; W562-M636 HydrophobicContact CD2-CE 3.56Å; W562-M636 HydrophobicContact CD2-CG 4.38Å; W562-M636 HydrophobicContact CE3-CE 3.55Å; W562-M636 HydrophobicContact CE3-CG 3.51Å; W562-M636 HydrophobicContact CE3-SD 4.4Å; W562-M636 HydrophobicContact CG-CE 3.96Å; W562-M636 HydrophobicContact CH2-CG 3.78Å; W562-M636 HydrophobicContact CZ3-CB 4.11Å; W562-M636 HydrophobicContact CZ3-CE 4.1Å; W562-M636 HydrophobicContact CZ3-CG 3.17Å
563D88.5Confident88.7Confident106 Ų10681.5 Ų81.557%0.56744%0.441SS*.  trans-101.582173.7-171.724.6000109.1K627D563-K627 HydrophobicContact CB-CB 4.37Å
564I88.3Confident88.8Confident29 Ų2981.6 Ų81.615%0.14944%0.441CS..  trans-116.9148.6-174.655.4174.4000109.6K561 S629 E631 L635K561-I564 WeakPolarHBondContact O-CG2 3.21Å; I564-S629 PolarHBondContact N-OG 2.9Å; I564-S629 WeakPolarHBondContact O-CB 3.49Å; I564-S629 PolarHBondContact O-OG 3.39Å; I564-S629 VanDerWaalsContact O-OG 3.12Å; I564-E631 HydrophobicContact CD1-CB 4.24Å; I564-E631 HydrophobicContact CG1-CB 3.83Å; I564-L635 HydrophobicContact CD1-CB 4.27Å; I564-L635 HydrophobicContact CD1-CD2 3.88Å
565K82.6Confident88.9Confident201 Ų20180.4 Ų80.487%0.87444%0.435SS*.SBendtrans-93.1-23.7-178-66.1-176.2178.6-1790113.5
566E81.3Confident89Confident162 Ų16277.8 Ų77.876%0.75742%0.422SS*.SBendtrans-133.3136.4-179.4-68.8-179.3-177.800108.4M568E566-M568 PolarHBondContact O-N 3.39Å
567I76.3Confident89.1Confident95 Ų9576.9 Ų76.949%0.48742%0.42SS..  trans-68.8124.1177-62.2173.2000108.1E631 A634I567-E631 HydrophobicContact CD1-CG 4.48Å; I567-E631 HydrophobicContact CG1-CB 3.65Å; I567-E631 HydrophobicContact CG1-CG 3.78Å; I567-A634 HydrophobicContact CD1-CB 3.76Å; I567-A634 HydrophobicContact CG1-CB 4.35Å
568M72.8Confident89.2Confident108 Ų10877 Ų7753%0.53242%0.42SS..  trans-72.8139.4172.6-61.4-171.163.800109.8E566 Q570E566-M568 PolarHBondContact O-N 3.39Å; M568-Q570 PolarHBondContact O-N 2.89Å
569S81.5Confident89.4Confident126 Ų12673.4 Ų73.488%0.88139%0.39SS*.SBendtrans-74.3-1.1176.8-48.30000113.9
570Q85.7Confident89.7Confident145 Ų14576.3 Ų76.368%0.67838%0.384SS*.SBendtrans-124145.9-176.2-64.8-177.6-6.800109.9M568M568-Q570 PolarHBondContact O-N 2.89Å
571H91.3Very high89.9Confident44 Ų4476.3 Ų76.320%0.20438%0.382CS..  trans-75.5163.9172.860.1-82.7000111.7D576 D639 Q642H571-D576 IonicContact CD2-OD2 3.82Å; H571-D576 IonicContact CE1-OD1 3.99Å; H571-D576 IonicContact CE1-OD2 3.01Å; H571-D576 IonicContact NE2-OD1 2.83Å; H571-D576 PolarHBondContact NE2-OD1 2.97Å; H571-D576 IonicContact NE2-OD2 3.67Å; H571-D576 PolarHBondContact NE2-OD2 3.4Å; H571-D639 WeakPolarHBondContact CA-OD1 3.46Å; H571-D639 WeakPolarHBondContact CB-OD1 3.41Å; H571-Q642 HydrophobicContact CB-CB 4.22Å; H571-Q642 HydrophobicContact CB-CG 4Å
572N94.1Very high90.2Very high29 Ų2968 Ų6816%0.15535%0.346CS..  trans-73.2148.3-179.8-76.4-59.9000113.2V560 Y574 V575 D639V560-N572 HydrophobicContact CG2-CB 4.47Å; N572-Y574 HydrophobicContact CB-CD1 3.48Å; N572-Y574 VanDerWaalsContact CB-CD1 3.48Å; N572-Y574 HydrophobicContact CB-CE1 3.41Å; N572-Y574 VanDerWaalsContact CB-CE1 3.41Å; N572-Y574 PolarHBondContact O-N 3.3Å; N572-Y574 VanDerWaalsContact O-N 3.12Å; N572-V575 WeakPolarHBondContact O-CB 3.37Å; N572-V575 PolarHBondContact O-N 2.86Å; N572-D639 PolarHBondContact N-OD1 3.4Å; N572-D639 PolarHBondContact ND2-OD2 3.22Å
573V94.2Very high90.4Very high102 Ų10272.7 Ų72.762%0.61837%0.368SS*.Hα-helixtrans-58.4-30.5-175.9-177.80000113.4M556 V575 D576 V577M556-V573 HydrophobicContact CE-CB 4.39Å; M556-V573 HydrophobicContact CE-CG1 4.07Å; V573-V575 PolarHBondContact O-N 3.28Å; V573-D576 PolarHBondContact O-N 3.41Å; V573-D576 VanDerWaalsContact O-N 3.16Å; V573-V577 HydrophobicContact CG1-CG2 4.3Å; V573-V577 PolarHBondContact O-N 3.5Å; V573-V577 VanDerWaalsContact O-N 3.09Å
574Y96.1Very high90.7Very high4 Ų471.1 Ų71.12%0.01636%0.357CS..Hα-helixtrans-61.1-28.817976.9-99.6000112.3M557 V560 W562 N572 V577 L578 L618 Y622 D639M557-Y574 HydrophobicContact CE-CE2 4.26Å; M557-Y574 HydrophobicContact CG-CD1 3.87Å; M557-Y574 HydrophobicContact CG-CD2 3.85Å; M557-Y574 HydrophobicContact CG-CE1 3.98Å; M557-Y574 HydrophobicContact CG-CE2 3.99Å; M557-Y574 HydrophobicContact CG-CG 3.81Å; M557-Y574 HydrophobicContact SD-CD2 4.29Å; M557-Y574 HydrophobicContact SD-CE2 4.08Å; V560-Y574 HydrophobicContact CG2-CD1 4.15Å; V560-Y574 HydrophobicContact CG2-CE1 4.39Å; W562-Y574 HydrophobicContact CH2-CE1 4.29Å; W562-Y574 HydrophobicContact CZ2-CE1 4.41Å; N572-Y574 HydrophobicContact CB-CD1 3.48Å; N572-Y574 VanDerWaalsContact CB-CD1 3.48Å; N572-Y574 HydrophobicContact CB-CE1 3.41Å; N572-Y574 VanDerWaalsContact CB-CE1 3.41Å; N572-Y574 PolarHBondContact O-N 3.3Å; N572-Y574 VanDerWaalsContact O-N 3.12Å; Y574-V577 PolarHBondContact O-N 3.38Å; Y574-L578 VanDerWaalsContact O-CB 3.3Å; Y574-L578 WeakPolarHBondContact O-CB 3.41Å; Y574-L578 PolarHBondContact O-N 3.35Å; Y574-L618 HydrophobicContact CD2-CD2 4.41Å; Y574-L618 HydrophobicContact CE2-CD2 3.61Å; Y574-Y622 PolarHBondContact OH-OH 3.43Å; Y574-Y622 VanDerWaalsContact OH-OH 3.14Å; Y574-D639 WeakPolarHBondContact OH-CB 3.43Å; Y574-D639 PolarHBondContact OH-OD2 3.35Å; Y574-D639 VanDerWaalsContact OH-OD2 3.09Å
575V96.4Very high91.1Very high2 Ų269.7 Ų69.71%0.01235%0.35CS..Hα-helixtrans-66.8-43.3177.6177.40000110.5N572 V573 L578 L579 D639 Q642 F643N572-V575 WeakPolarHBondContact O-CB 3.37Å; N572-V575 PolarHBondContact O-N 2.86Å; V573-V575 PolarHBondContact O-N 3.28Å; V575-L578 PolarHBondContact O-N 2.92Å; V575-L579 HydrophobicContact CG1-CD1 3.97Å; V575-L579 WeakPolarHBondContact O-CB 3.33Å; V575-L579 WeakPolarHBondContact O-CD1 3.48Å; V575-L579 VanDerWaalsContact O-CG 3.25Å; V575-L579 WeakPolarHBondContact O-CG 3.4Å; V575-L579 PolarHBondContact O-N 3.45Å; V575-D639 HydrophobicContact CG2-CB 3.76Å; V575-Q642 HydrophobicContact CG1-CB 4.45Å; V575-F643 HydrophobicContact CG1-CB 3.93Å
576D95.9Very high91.7Very high64 Ų6463.4 Ų63.434%0.34233%0.326SS..Hα-helixtrans-68.5-37.3177-69.3-44.4000111.8H571 V573 L579 K580 K646H571-D576 IonicContact CD2-OD2 3.82Å; H571-D576 IonicContact CE1-OD1 3.99Å; H571-D576 IonicContact CE1-OD2 3.01Å; H571-D576 IonicContact NE2-OD1 2.83Å; H571-D576 PolarHBondContact NE2-OD1 2.97Å; H571-D576 IonicContact NE2-OD2 3.67Å; H571-D576 PolarHBondContact NE2-OD2 3.4Å; V573-D576 PolarHBondContact O-N 3.41Å; V573-D576 VanDerWaalsContact O-N 3.16Å; D576-L579 PolarHBondContact O-N 2.98Å; D576-K580 WeakPolarHBondContact O-CB 3.16Å; D576-K580 PolarHBondContact O-N 3.32Å; D576-K646 IonicContact OD1-NZ 2.99Å; D576-K646 PolarHBondContact OD1-NZ 3.36Å
577V96.4Very high92.3Very high37 Ų3762.8 Ų62.822%0.22432%0.321CS..Hα-helixtrans-65.1-46174.8-179.90000110.8M553 M556 V573 Y574 L579 K580 E581M553-V577 HydrophobicContact CE-CB 4.35Å; M553-V577 HydrophobicContact CE-CG1 3.57Å; M553-V577 HydrophobicContact SD-CG1 4.32Å; M556-V577 HydrophobicContact CE-CB 4.27Å; M556-V577 HydrophobicContact CE-CG2 3.73Å; M556-V577 HydrophobicContact SD-CB 4.16Å; M556-V577 HydrophobicContact SD-CG1 4.21Å; M556-V577 HydrophobicContact SD-CG2 4.13Å; V573-V577 HydrophobicContact CG1-CG2 4.3Å; V573-V577 PolarHBondContact O-N 3.5Å; V573-V577 VanDerWaalsContact O-N 3.09Å; Y574-V577 PolarHBondContact O-N 3.38Å; V577-L579 VanDerWaalsContact C-N 3.34Å; V577-L579 PolarHBondContact O-N 3.44Å; V577-K580 WeakPolarHBondContact O-CB 3.41Å; V577-K580 PolarHBondContact O-N 2.94Å; V577-E581 PolarHBondContact O-N 3.28Å
578L96.6Very high93.1Very high4 Ų460.8 Ų60.82%0.02131%0.307CS..Hα-helixtrans-58.9-44.8176.4179.156.2000111.7I548 M553 Y574 V575 K580 E581 F582 A614 L618 F643I548-L578 HydrophobicContact CG2-CD1 4.1Å; M553-L578 HydrophobicContact CG-CD1 4.12Å; M553-L578 HydrophobicContact SD-CB 3.8Å; M553-L578 HydrophobicContact SD-CD1 4.38Å; Y574-L578 VanDerWaalsContact O-CB 3.3Å; Y574-L578 WeakPolarHBondContact O-CB 3.41Å; Y574-L578 PolarHBondContact O-N 3.35Å; V575-L578 PolarHBondContact O-N 2.92Å; L578-K580 VanDerWaalsContact C-N 3.33Å; L578-K580 PolarHBondContact O-N 2.94Å; L578-E581 WeakPolarHBondContact O-CB 3.43Å; L578-E581 PolarHBondContact O-N 2.97Å; L578-F582 HydrophobicContact CD1-CD2 4.12Å; L578-F582 HydrophobicContact CD1-CE2 3.78Å; L578-F582 HydrophobicContact CG-CD2 4.2Å; L578-F582 HydrophobicContact CG-CE2 4.02Å; L578-F582 VanDerWaalsContact O-CD2 3.31Å; L578-F582 WeakPolarHBondContact O-CD2 3.22Å; L578-F582 PolarHBondContact O-N 2.93Å; L578-F582 VanDerWaalsContact O-N 3.08Å; L578-A614 HydrophobicContact CD1-CB 4.33Å; L578-A614 HydrophobicContact CD2-CB 4.34Å; L578-L618 HydrophobicContact CD2-CD2 4.42Å; L578-F643 HydrophobicContact CD2-CD2 3.99Å; L578-F643 HydrophobicContact CD2-CE2 3.65Å; L578-F643 HydrophobicContact CD2-CZ 4.15Å; L578-F643 HydrophobicContact CG-CD2 4.38Å; L578-F643 HydrophobicContact CG-CE2 3.89Å
579L96.7Very high94.1Very high5 Ų556.1 Ų56.13%0.02628%0.284CS..Hα-helixtrans-64.3-38.3176.9-73.5164.9000112.4V575 D576 V577 E581 F582 E583 F643 K646 L647V575-L579 HydrophobicContact CG1-CD1 3.97Å; V575-L579 WeakPolarHBondContact O-CB 3.33Å; V575-L579 WeakPolarHBondContact O-CD1 3.48Å; V575-L579 VanDerWaalsContact O-CG 3.25Å; V575-L579 WeakPolarHBondContact O-CG 3.4Å; V575-L579 PolarHBondContact O-N 3.45Å; D576-L579 PolarHBondContact O-N 2.98Å; V577-L579 VanDerWaalsContact C-N 3.34Å; V577-L579 PolarHBondContact O-N 3.44Å; L579-E581 VanDerWaalsContact C-N 3.28Å; L579-E581 PolarHBondContact O-N 3.27Å; L579-F582 WeakPolarHBondContact O-CB 3.16Å; L579-F582 PolarHBondContact O-N 3.07Å; L579-F582 VanDerWaalsContact O-N 3.15Å; L579-E583 WeakPolarHBondContact O-CG 3.44Å; L579-E583 PolarHBondContact O-N 3.46Å; L579-F643 HydrophobicContact CD2-CD2 3.83Å; L579-F643 HydrophobicContact CD2-CE2 4.15Å; L579-F643 HydrophobicContact CG-CD2 4.06Å; L579-K646 HydrophobicContact CD1-CB 3.68Å; L579-K646 HydrophobicContact CD1-CD 3.33Å; L579-K646 HydrophobicContact CD1-CG 4.12Å; L579-K646 HydrophobicContact CD2-CB 3.74Å; L579-K646 HydrophobicContact CG-CB 4.36Å; L579-L647 HydrophobicContact CD2-CB 4.42Å
580K96.4Very high94.6Very high126 Ų12651.8 Ų51.855%0.54826%0.26SS..Hα-helixtrans-63.1-34.9173.8-169.4-173.5173.4-175.70111.8D576 V577 L578 E583 Q584D576-K580 WeakPolarHBondContact O-CB 3.16Å; D576-K580 PolarHBondContact O-N 3.32Å; V577-K580 WeakPolarHBondContact O-CB 3.41Å; V577-K580 PolarHBondContact O-N 2.94Å; L578-K580 VanDerWaalsContact C-N 3.33Å; L578-K580 PolarHBondContact O-N 2.94Å; K580-E583 PolarHBondContact O-N 2.89Å; K580-Q584 WeakPolarHBondContact O-CB 3.49Å; K580-Q584 VanDerWaalsContact O-CG 3.28Å; K580-Q584 WeakPolarHBondContact O-CG 3.4Å; K580-Q584 PolarHBondContact O-N 3Å; K580-Q584 PolarHBondContact O-NE2 2.92Å
581E95.7Very high94.9Very high29 Ų2947.7 Ų47.714%0.13624%0.242CC..Hα-helixtrans-66-39.6172.3-70.3-57.3116.800111.8I548 V577 L578 L579 Q584 F585I548-E581 HydrophobicContact CG1-CB 4.33Å; I548-E581 HydrophobicContact CG2-CB 3.88Å; I548-E581 HydrophobicContact CG2-CG 4.35Å; V577-E581 PolarHBondContact O-N 3.28Å; L578-E581 WeakPolarHBondContact O-CB 3.43Å; L578-E581 PolarHBondContact O-N 2.97Å; L579-E581 VanDerWaalsContact C-N 3.28Å; L579-E581 PolarHBondContact O-N 3.27Å; E581-Q584 PolarHBondContact O-N 3.46Å; E581-Q584 PolarHBondContact OE1-NE2 3.27Å; E581-F585 WeakPolarHBondContact O-CB 3.29Å; E581-F585 PolarHBondContact O-N 2.93Å
582F96.8Very high94.9Very high0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-63.8-39.7172.2-83.9-77.7000112.9I548 L578 L579 F585 N586 W607 C610 I611 A614 F643 L647 L650I548-F582 HydrophobicContact CD1-CD1 3.96Å; I548-F582 HydrophobicContact CD1-CD2 4.21Å; I548-F582 HydrophobicContact CD1-CE1 3.84Å; I548-F582 HydrophobicContact CD1-CE2 4.06Å; I548-F582 HydrophobicContact CD1-CG 4.16Å; I548-F582 HydrophobicContact CD1-CZ 3.88Å; L578-F582 HydrophobicContact CD1-CD2 4.12Å; L578-F582 HydrophobicContact CD1-CE2 3.78Å; L578-F582 HydrophobicContact CG-CD2 4.2Å; L578-F582 HydrophobicContact CG-CE2 4.02Å; L578-F582 VanDerWaalsContact O-CD2 3.31Å; L578-F582 WeakPolarHBondContact O-CD2 3.22Å; L578-F582 PolarHBondContact O-N 2.93Å; L578-F582 VanDerWaalsContact O-N 3.08Å; L579-F582 WeakPolarHBondContact O-CB 3.16Å; L579-F582 PolarHBondContact O-N 3.07Å; L579-F582 VanDerWaalsContact O-N 3.15Å; F582-F585 PolarHBondContact O-N 2.73Å; F582-N586 WeakPolarHBondContact O-CB 3.32Å; F582-N586 PolarHBondContact O-N 2.85Å; F582-W607 HydrophobicContact CD1-CE3 4.2Å; F582-W607 HydrophobicContact CD1-CH2 4.31Å; F582-W607 AromaticContact CD1-CZ3 3.52Å; F582-W607 HydrophobicContact CD1-CZ3 3.52Å; F582-W607 HydrophobicContact CE1-CE3 4.38Å; F582-W607 HydrophobicContact CE1-CZ3 4.12Å; F582-W607 HydrophobicContact CG-CZ3 4.47Å; F582-C610 HydrophobicContact CE1-CB 3.78Å; F582-C610 HydrophobicContact CZ-CB 4.41Å; F582-I611 HydrophobicContact CE1-CG1 4Å; F582-I611 HydrophobicContact CZ-CG1 4.28Å; F582-A614 HydrophobicContact CE2-CB 3.8Å; F582-A614 HydrophobicContact CZ-CB 3.72Å; F582-F643 HydrophobicContact CD2-CE2 4.07Å; F582-F643 AromaticContact CE2-CE2 3.74Å; F582-F643 HydrophobicContact CE2-CE2 3.74Å; F582-F643 AromaticContact CE2-CZ 3.81Å; F582-F643 HydrophobicContact CE2-CZ 3.81Å; F582-F643 HydrophobicContact CZ-CZ 4.32Å; F582-L647 HydrophobicContact CD1-CD1 4.03Å; F582-L647 HydrophobicContact CD2-CD1 4.37Å; F582-L647 HydrophobicContact CE1-CD1 4.09Å; F582-L647 HydrophobicContact CE2-CD1 4.47Å; F582-L647 HydrophobicContact CG-CD1 4.16Å; F582-L647 HydrophobicContact CZ-CD1 4.32Å; F582-L650 HydrophobicContact CB-CD1 3.98Å
583E96Very high94.7Very high108 Ų10847.7 Ų47.751%0.50525%0.249SC..Hα-helixtrans-63.3-44173.9-71.6174178.400111.7L579 K580 N586 K587 L650L579-E583 WeakPolarHBondContact O-CG 3.44Å; L579-E583 PolarHBondContact O-N 3.46Å; K580-E583 PolarHBondContact O-N 2.89Å; E583-N586 PolarHBondContact O-N 3.46Å; E583-K587 PolarHBondContact O-N 3.49Å; E583-L650 HydrophobicContact CG-CD1 4.02Å; E583-L650 HydrophobicContact CG-CD2 4.06Å
584Q94.7Very high94.4Very high73 Ų7352.2 Ų52.234%0.34126%0.255SS..Hα-helixtrans-64.6-40.4175.6-75.5175.770.900112.2K580 E581 K587 R588K580-Q584 WeakPolarHBondContact O-CB 3.49Å; K580-Q584 VanDerWaalsContact O-CG 3.28Å; K580-Q584 WeakPolarHBondContact O-CG 3.4Å; K580-Q584 PolarHBondContact O-N 3Å; K580-Q584 PolarHBondContact O-NE2 2.92Å; E581-Q584 PolarHBondContact O-N 3.46Å; E581-Q584 PolarHBondContact OE1-NE2 3.27Å; Q584-K587 PolarHBondContact O-N 3.31Å; Q584-R588 WeakPolarHBondContact O-CG 3.19Å; Q584-R588 PolarHBondContact O-N 3.2Å
585F95.5Very high94Very high0 Ų058.8 Ų58.80%029%0.286CS..Hα-helixtrans-59.1-49.5172.9169.4-106.1000110.9A547 E581 F582 K587 R588 L589 L606 W607A547-F585 HydrophobicContact CB-CD2 3.84Å; A547-F585 HydrophobicContact CB-CE2 4.18Å; E581-F585 WeakPolarHBondContact O-CB 3.29Å; E581-F585 PolarHBondContact O-N 2.93Å; F582-F585 PolarHBondContact O-N 2.73Å; F585-K587 VanDerWaalsContact C-N 3.3Å; F585-K587 PolarHBondContact O-N 3.15Å; F585-R588 PolarHBondContact O-N 3.08Å; F585-L589 HydrophobicContact CE1-CD2 4.36Å; F585-L589 HydrophobicContact CZ-CD2 4.36Å; F585-L589 WeakPolarHBondContact O-CB 3.47Å; F585-L589 PolarHBondContact O-N 3.22Å; F585-L606 HydrophobicContact CZ-CB 4.19Å; F585-W607 HydrophobicContact CD1-CH2 4.32Å; F585-W607 HydrophobicContact CD1-CZ2 4.25Å; F585-W607 HydrophobicContact CE1-CD2 4.16Å; F585-W607 HydrophobicContact CE1-CZ2 4.3Å
586N95.1Very high93.7Very high68 Ų6859.3 Ų59.336%0.36429%0.289SS..Hα-helixtrans-59.9-40.2178.1-169.437.4000112.2F582 E583 L589 G590 W607F582-N586 WeakPolarHBondContact O-CB 3.32Å; F582-N586 PolarHBondContact O-N 2.85Å; E583-N586 PolarHBondContact O-N 3.46Å; N586-L589 PolarHBondContact O-N 2.52Å; N586-G590 PolarHBondContact O-N 2.97Å; N586-W607 HydrophobicContact CB-CH2 4.15Å; N586-W607 HydrophobicContact CB-CZ2 3.83Å
587K93.9Very high93.4Very high149 Ų14961.8 Ų61.865%0.64829%0.293SS*.Hα-helixtrans-62.2-50.2175.2-175.2-177.5175.9-174.70111.9E583 Q584 F585 L589 G590 D591E583-K587 PolarHBondContact O-N 3.49Å; Q584-K587 PolarHBondContact O-N 3.31Å; F585-K587 VanDerWaalsContact C-N 3.3Å; F585-K587 PolarHBondContact O-N 3.15Å; K587-L589 VanDerWaalsContact C-N 3.29Å; K587-L589 PolarHBondContact O-N 3.25Å; K587-G590 WeakPolarHBondContact O-CA 3.45Å; K587-G590 PolarHBondContact O-N 3.07Å; K587-G590 VanDerWaalsContact O-N 3.08Å; K587-D591 PolarHBondContact O-N 3.17Å
588R94.3Very high93.2Very high53 Ų5361.2 Ų61.220%0.229%0.289CS..Hα-helixtrans-62.2-37.4178-73.3-175.4-72.6171.7-3.8111.9L482 A547 Q584 F585 G590 D591 V592L482-R588 HydrophobicContact CD1-CB 3.67Å; L482-R588 HydrophobicContact CD2-CB 3.91Å; L482-R588 HydrophobicContact CG-CB 3.8Å; A547-R588 PolarHBondContact O-NH2 2.99Å; Q584-R588 WeakPolarHBondContact O-CG 3.19Å; Q584-R588 PolarHBondContact O-N 3.2Å; F585-R588 PolarHBondContact O-N 3.08Å; R588-G590 VanDerWaalsContact C-N 3.3Å; R588-G590 PolarHBondContact O-N 3.16Å; R588-D591 PolarHBondContact O-N 3.41Å; R588-D591 VanDerWaalsContact O-N 3.17Å; R588-V592 WeakPolarHBondContact O-CG2 3.42Å; R588-V592 PolarHBondContact O-N 3.41Å
589L93.6Very high93Very high10 Ų1061.9 Ų61.95%0.05229%0.293CS..Hα-helixtrans-61.1-41.8173.4-171.967.7000111L485 F585 N586 K587 V592 S593 I598 L606L485-L589 HydrophobicContact CD2-CD1 3.66Å; F585-L589 HydrophobicContact CE1-CD2 4.36Å; F585-L589 HydrophobicContact CZ-CD2 4.36Å; F585-L589 WeakPolarHBondContact O-CB 3.47Å; F585-L589 PolarHBondContact O-N 3.22Å; N586-L589 PolarHBondContact O-N 2.52Å; K587-L589 VanDerWaalsContact C-N 3.29Å; K587-L589 PolarHBondContact O-N 3.25Å; L589-V592 PolarHBondContact O-N 3.4Å; L589-S593 WeakPolarHBondContact O-CB 3.37Å; L589-S593 PolarHBondContact O-N 2.81Å; L589-I598 HydrophobicContact CD1-CD1 3.38Å; L589-I598 HydrophobicContact CG-CD1 3.89Å; L589-L606 HydrophobicContact CD1-CD1 3.88Å
590G91.9Very high92.8Very high35 Ų3567.5 Ų67.536%0.36132%0.322SS..Hα-helixtrans-61.7-37.9172.300000113.6N586 K587 R588 S593 R594N586-G590 PolarHBondContact O-N 2.97Å; K587-G590 WeakPolarHBondContact O-CA 3.45Å; K587-G590 PolarHBondContact O-N 3.07Å; K587-G590 VanDerWaalsContact O-N 3.08Å; R588-G590 VanDerWaalsContact C-N 3.3Å; R588-G590 PolarHBondContact O-N 3.16Å; G590-S593 WeakPolarHBondContact O-CB 3.49Å; G590-S593 PolarHBondContact O-N 3.09Å; G590-R594 PolarHBondContact O-N 3.01Å
591D91.6Very high92.6Very high59 Ų5964.3 Ų64.332%0.31632%0.315SS..Hα-helixtrans-67.8-39.4176.2-67.6-35.2000112.1K587 R588 S593 R594 H595K587-D591 PolarHBondContact O-N 3.17Å; R588-D591 PolarHBondContact O-N 3.41Å; R588-D591 VanDerWaalsContact O-N 3.17Å; D591-S593 VanDerWaalsContact C-N 3.34Å; D591-R594 WeakPolarHBondContact O-CB 3.39Å; D591-R594 PolarHBondContact O-N 3.44Å; D591-R594 IonicContact OD1-CZ 2.69Å; D591-R594 IonicContact OD1-NH1 2.95Å; D591-R594 PolarHBondContact OD1-NH1 3.46Å; D591-R594 IonicContact OD1-NH2 3.26Å; D591-H595 PolarHBondContact O-ND1 3Å
592V91.9Very high92.6Very high12 Ų1263 Ų637%0.07331%0.309CS..Hα-helixtrans-65-39.2172.4175.70000111.2L482 L485 A486 R588 L589 R594 H595 V596 I598L482-V592 HydrophobicContact CD1-CG2 4.08Å; L485-V592 HydrophobicContact CB-CG1 4.38Å; L485-V592 HydrophobicContact CD2-CB 4.45Å; L485-V592 HydrophobicContact CD2-CG1 4.19Å; L485-V592 HydrophobicContact CD2-CG2 4.38Å; L485-V592 HydrophobicContact CG-CG1 4.19Å; A486-V592 HydrophobicContact CB-CG1 4.26Å; R588-V592 WeakPolarHBondContact O-CG2 3.42Å; R588-V592 PolarHBondContact O-N 3.41Å; L589-V592 PolarHBondContact O-N 3.4Å; V592-R594 PolarHBondContact O-N 2.83Å; V592-R594 VanDerWaalsContact O-N 3.08Å; V592-H595 PolarHBondContact O-N 2.88Å; V592-V596 PolarHBondContact O-N 2.69Å; V592-I598 HydrophobicContact CB-CD1 4.38Å; V592-I598 HydrophobicContact CG1-CD1 4.2Å
593S89.9Confident92.5Very high61 Ų6164.2 Ų64.243%0.42732%0.317SS..Hα-helixtrans-58.6-22.6178.3-165.60000113.7L589 G590 D591 H595 V596L589-S593 WeakPolarHBondContact O-CB 3.37Å; L589-S593 PolarHBondContact O-N 2.81Å; G590-S593 WeakPolarHBondContact O-CB 3.49Å; G590-S593 PolarHBondContact O-N 3.09Å; D591-S593 VanDerWaalsContact C-N 3.34Å; S593-H595 VanDerWaalsContact C-N 3.34Å; S593-V596 CarbonylContact C-O 3.6Å; S593-V596 VanDerWaalsContact CA-O 3.26Å; S593-V596 WeakPolarHBondContact CA-O 3.14Å
594R88.1Confident92.4Very high198 Ų19861.8 Ų61.875%0.74731%0.308SS*.THydrogen-bonded Turntrans-72.5-26.7173.9-63.4176.2-179169.23.3113.3G590 D591 V592G590-R594 PolarHBondContact O-N 3.01Å; D591-R594 WeakPolarHBondContact O-CB 3.39Å; D591-R594 PolarHBondContact O-N 3.44Å; D591-R594 IonicContact OD1-CZ 2.69Å; D591-R594 IonicContact OD1-NH1 2.95Å; D591-R594 PolarHBondContact OD1-NH1 3.46Å; D591-R594 IonicContact OD1-NH2 3.26Å; V592-R594 PolarHBondContact O-N 2.83Å; V592-R594 VanDerWaalsContact O-N 3.08Å
595H86.3Confident92.4Very high142 Ų14259.1 Ų59.166%0.65730%0.297SS*.THydrogen-bonded Turntrans-94-46.5-178.6-61.383.9000110.8D591 V592 S593D591-H595 PolarHBondContact O-ND1 3Å; V592-H595 PolarHBondContact O-N 2.88Å; S593-H595 VanDerWaalsContact C-N 3.34Å
596V90Very high92.4Very high13 Ų1359.1 Ų59.18%0.07930%0.297CS..SBendtrans-131.8131.3-179.8175.80000109.2L201 A486 V489 V490 V592 S593 I598L201-V596 HydrophobicContact CD1-CG1 4.49Å; L201-V596 HydrophobicContact CD1-CG2 4.36Å; A486-V596 HydrophobicContact CB-CB 4.47Å; A486-V596 HydrophobicContact CB-CG2 3.88Å; V489-V596 HydrophobicContact CB-CG1 4.24Å; V489-V596 HydrophobicContact CG1-CG1 3.78Å; V490-V596 HydrophobicContact CG2-CG1 3.84Å; V490-V596 HydrophobicContact CG2-CG2 3.93Å; V592-V596 PolarHBondContact O-N 2.69Å; S593-V596 CarbonylContact C-O 3.6Å; S593-V596 VanDerWaalsContact CA-O 3.26Å; S593-V596 WeakPolarHBondContact CA-O 3.14Å; V596-I598 PolarHBondContact O-N 2.88Å
597R89.9Confident92.5Very high116 Ų11656.4 Ų56.444%0.43828%0.281SS..  trans-59.8129.3173.7179-171.2175.7-164.12.3109.5A335 P599A335-R597 PolarHBondContact O-NE 2.79Å; A335-R597 PolarHBondContact O-NH1 3.23Å; A335-R597 PolarHBondContact O-NH2 3.24Å; R597-P599 WeakPolarHBondContact O-CD 3.39Å
598I91.9Very high92.5Very high25 Ų2551.9 Ų51.913%0.12826%0.262CS..  trans-99.4108.8175.6-54.6-176.9000108.8L589 V592 V596 V602L589-I598 HydrophobicContact CD1-CD1 3.38Å; L589-I598 HydrophobicContact CG-CD1 3.89Å; V592-I598 HydrophobicContact CB-CD1 4.38Å; V592-I598 HydrophobicContact CG1-CD1 4.2Å; V596-I598 PolarHBondContact O-N 2.88Å; I598-V602 HydrophobicContact CG2-CB 4.11Å; I598-V602 HydrophobicContact CG2-CG1 3.96Å
599P92.4Very high92.6Very high17 Ų1749.8 Ų49.811%0.1126%0.255CS..  trans-62.8151.3176.5-23.936.4000112.1I339 E493 R597 P601 V602 S603I339-P599 HydrophobicContact CD1-CG 3.64Å; E493-P599 HydrophobicContact CG-CG 4.02Å; R597-P599 WeakPolarHBondContact O-CD 3.39Å; P599-P601 VanDerWaalsContact C-CD 3.49Å; P599-V602 HydrophobicContact CB-CG2 4.24Å; P599-V602 HydrophobicContact CG-CG2 4.24Å; P599-V602 WeakPolarHBondContact O-CB 3.48Å; P599-V602 PolarHBondContact O-N 3.4Å; P599-S603 PolarHBondContact O-N 3.42Å
600L92.1Very high92.7Very high123 Ų12349.3 Ų49.364%0.64425%0.252SS*.Hα-helixtrans-55.4-42.1178.2-176.964.8000113.2V602 S603 N604L600-V602 PolarHBondContact O-N 2.96Å; L600-S603 PolarHBondContact O-N 3.43Å; L600-N604 WeakPolarHBondContact O-CB 3.33Å; L600-N604 PolarHBondContact O-N 3.22Å; L600-N604 PolarHBondContact O-OD1 3.38Å
601P93.4Very high92.8Very high60 Ų6047.6 Ų47.639%0.3924%0.235SC..Hα-helixtrans-57.7-36.2174.5-26.135.6000113.4P599 V605P599-P601 VanDerWaalsContact C-CD 3.49Å; P601-V605 VanDerWaalsContact O-CG2 3.26Å; P601-V605 WeakPolarHBondContact O-CG2 3.41Å; P601-V605 PolarHBondContact O-N 3.25Å; P601-V605 VanDerWaalsContact O-N 3.13Å
602V94.9Very high93Very high0 Ų047.9 Ų47.90%023%0.232CC..Hα-helixtrans-71.6-48.3178.2176.60000111.1V489 E493 Y540 I598 P599 L600 N604 V605 L606V489-V602 HydrophobicContact CG2-CG1 4.08Å; E493-V602 VanDerWaalsContact CD-CG2 3.49Å; E493-V602 HydrophobicContact CG-CG2 3.98Å; E493-V602 WeakPolarHBondContact OE1-CG2 3.42Å; Y540-V602 HydrophobicContact CD1-CG1 4.43Å; Y540-V602 HydrophobicContact CD2-CG1 4.08Å; Y540-V602 HydrophobicContact CE1-CG1 3.87Å; Y540-V602 HydrophobicContact CE2-CB 4.04Å; Y540-V602 HydrophobicContact CE2-CG1 3.48Å; Y540-V602 VanDerWaalsContact CE2-CG1 3.48Å; Y540-V602 HydrophobicContact CE2-CG2 3.83Å; Y540-V602 WeakPolarHBondContact OH-CG2 3.22Å; I598-V602 HydrophobicContact CG2-CB 4.11Å; I598-V602 HydrophobicContact CG2-CG1 3.96Å; P599-V602 HydrophobicContact CB-CG2 4.24Å; P599-V602 HydrophobicContact CG-CG2 4.24Å; P599-V602 WeakPolarHBondContact O-CB 3.48Å; P599-V602 PolarHBondContact O-N 3.4Å; L600-V602 PolarHBondContact O-N 2.96Å; V602-N604 VanDerWaalsContact C-N 3.27Å; V602-N604 PolarHBondContact O-N 3.4Å; V602-V605 PolarHBondContact O-N 3.39Å; V602-L606 HydrophobicContact CG1-CD1 3.89Å; V602-L606 HydrophobicContact CG1-CG 4.48Å; V602-L606 WeakPolarHBondContact O-CG 3.31Å; V602-L606 PolarHBondContact O-N 2.87Å
603S94.8Very high93.1Very high26 Ų2647.7 Ų47.718%0.18223%0.23CC..Hα-helixtrans-55.5-45.5175.7-174.30000111P599 L600 V605 L606 W607P599-S603 PolarHBondContact O-N 3.42Å; L600-S603 PolarHBondContact O-N 3.43Å; S603-V605 PolarHBondContact O-N 2.93Å; S603-L606 PolarHBondContact O-N 2.92Å; S603-W607 WeakPolarHBondContact O-CB 3.38Å; S603-W607 VanDerWaalsContact O-CD1 3.28Å; S603-W607 PolarHBondContact O-N 3.04Å
604N94.9Very high93.3Very high57 Ų5744.8 Ų44.831%0.30521%0.21SC..Hα-helixtrans-60.1-45.9178-73-5.9000112.1L600 V602 E608 L653L600-N604 WeakPolarHBondContact O-CB 3.33Å; L600-N604 PolarHBondContact O-N 3.22Å; L600-N604 PolarHBondContact O-OD1 3.38Å; V602-N604 VanDerWaalsContact C-N 3.27Å; V602-N604 PolarHBondContact O-N 3.4Å; N604-E608 WeakPolarHBondContact O-CB 3.3Å; N604-E608 PolarHBondContact O-N 3.37Å; N604-L653 HydrophobicContact CB-CD2 3.89Å
605V95.1Very high93.7Very high18 Ų1835.4 Ų35.411%0.10917%0.174CC..Hα-helixtrans-65.1-41.6179171.80000111.6R536 Y540 P601 V602 S603 E608 H609R536-V605 HydrophobicContact CB-CG2 4.45Å; Y540-V605 HydrophobicContact CD2-CB 4.28Å; Y540-V605 HydrophobicContact CD2-CG1 3.92Å; P601-V605 VanDerWaalsContact O-CG2 3.26Å; P601-V605 WeakPolarHBondContact O-CG2 3.41Å; P601-V605 PolarHBondContact O-N 3.25Å; P601-V605 VanDerWaalsContact O-N 3.13Å; V602-V605 PolarHBondContact O-N 3.39Å; S603-V605 PolarHBondContact O-N 2.93Å; V605-E608 PolarHBondContact O-N 3.45Å; V605-H609 WeakPolarHBondContact CG1-NE2 3.35Å; V605-H609 PolarHBondContact O-CD2 3.14Å; V605-H609 PolarHBondContact O-N 3.2Å
606L95.3Very high94Very high0 Ų032.5 Ų32.50%016%0.158CC..Hα-helixtrans-61.5-51.4176.6-77.2163.8000111.8L485 Y540 V543 F585 L589 V602 S603 E608 H609 C610L485-L606 HydrophobicContact CD1-CD1 4.03Å; L485-L606 HydrophobicContact CD1-CD2 4.17Å; L485-L606 HydrophobicContact CD2-CD1 4.21Å; Y540-L606 HydrophobicContact CD1-CD2 4.24Å; Y540-L606 HydrophobicContact CD1-CG 4.49Å; Y540-L606 HydrophobicContact CG-CD2 4.16Å; Y540-L606 HydrophobicContact CG-CG 4.23Å; V543-L606 HydrophobicContact CB-CD2 4.24Å; V543-L606 HydrophobicContact CG1-CD2 4.22Å; F585-L606 HydrophobicContact CZ-CB 4.19Å; L589-L606 HydrophobicContact CD1-CD1 3.88Å; V602-L606 HydrophobicContact CG1-CD1 3.89Å; V602-L606 HydrophobicContact CG1-CG 4.48Å; V602-L606 WeakPolarHBondContact O-CG 3.31Å; V602-L606 PolarHBondContact O-N 2.87Å; S603-L606 PolarHBondContact O-N 2.92Å; L606-E608 VanDerWaalsContact C-N 3.32Å; L606-E608 PolarHBondContact O-N 3.33Å; L606-H609 PolarHBondContact O-N 2.94Å; L606-C610 PolarHBondContact O-N 2.95Å; L606-C610 PolarHBondContact O-SG 3.27Å; L606-C610 VanDerWaalsContact O-SG 3.35Å
607W96.4Very high94.2Very high10 Ų1032.5 Ų32.54%0.03816%0.158CC..Hα-helixtrans-61.2-42.5176.9-85.7104.8000111.7F582 F585 N586 S603 H609 C610 I611 L647 L650 L653F582-W607 HydrophobicContact CD1-CE3 4.2Å; F582-W607 HydrophobicContact CD1-CH2 4.31Å; F582-W607 AromaticContact CD1-CZ3 3.52Å; F582-W607 HydrophobicContact CD1-CZ3 3.52Å; F582-W607 HydrophobicContact CE1-CE3 4.38Å; F582-W607 HydrophobicContact CE1-CZ3 4.12Å; F582-W607 HydrophobicContact CG-CZ3 4.47Å; F585-W607 HydrophobicContact CD1-CH2 4.32Å; F585-W607 HydrophobicContact CD1-CZ2 4.25Å; F585-W607 HydrophobicContact CE1-CD2 4.16Å; F585-W607 HydrophobicContact CE1-CZ2 4.3Å; N586-W607 HydrophobicContact CB-CH2 4.15Å; N586-W607 HydrophobicContact CB-CZ2 3.83Å; S603-W607 WeakPolarHBondContact O-CB 3.38Å; S603-W607 VanDerWaalsContact O-CD1 3.28Å; S603-W607 PolarHBondContact O-N 3.04Å; W607-H609 VanDerWaalsContact C-N 3.35Å; W607-H609 PolarHBondContact O-N 3.3Å; W607-C610 PolarHBondContact O-N 3.47Å; W607-I611 HydrophobicContact CE3-CD1 4.29Å; W607-I611 WeakPolarHBondContact O-CB 3.49Å; W607-I611 WeakPolarHBondContact O-CD1 3.49Å; W607-I611 WeakPolarHBondContact O-CG1 3.48Å; W607-I611 PolarHBondContact O-N 2.96Å; W607-L647 HydrophobicContact CZ3-CD1 4.35Å; W607-L650 HydrophobicContact CH2-CB 3.99Å; W607-L650 HydrophobicContact CZ3-CB 4.4Å; W607-L653 HydrophobicContact CB-CD1 3.51Å; W607-L653 HydrophobicContact CB-CG 4.32Å
608E95Very high94.5Very high54 Ų5427.2 Ų27.225%0.25214%0.138SC..Hα-helixtrans-57.3-49.2176.6179.5178179.500110.9N604 V605 L606 I611 R612 L653 P657N604-E608 WeakPolarHBondContact O-CB 3.3Å; N604-E608 PolarHBondContact O-N 3.37Å; V605-E608 PolarHBondContact O-N 3.45Å; L606-E608 VanDerWaalsContact C-N 3.32Å; L606-E608 PolarHBondContact O-N 3.33Å; E608-I611 PolarHBondContact O-N 2.87Å; E608-R612 HydrophobicContact CG-CG 4.35Å; E608-R612 WeakPolarHBondContact O-CB 3.49Å; E608-R612 VanDerWaalsContact O-CG 3.22Å; E608-R612 WeakPolarHBondContact O-CG 3.4Å; E608-R612 PolarHBondContact O-N 2.76Å; E608-R612 IonicContact OE1-CZ 3.78Å; E608-R612 VanDerWaalsContact OE1-CZ 3.22Å; E608-R612 IonicContact OE1-NE 2.73Å; E608-R612 PolarHBondContact OE1-NE 3.15Å; E608-R612 IonicContact OE1-NH2 3.52Å; E608-R612 PolarHBondContact OE1-NH2 3.17Å; E608-L653 HydrophobicContact CB-CD1 4.17Å; E608-P657 HydrophobicContact CB-CG 4.25Å; E608-P657 HydrophobicContact CG-CB 4.09Å; E608-P657 HydrophobicContact CG-CG 3.84Å
609H94.5Very high94.6Very high9 Ų926 Ų264%0.04213%0.132CC..Hα-helixtrans-63.9-45.8178.8-71.7-39.5000113K537 W541 A544 V605 L606 W607 I611 R612 L613K537-H609 PolarHBondContact O-NE2 3.16Å; K537-H609 VanDerWaalsContact O-NE2 3.13Å; W541-H609 HydrophobicContact CE3-CB 3.88Å; W541-H609 AromaticContact CE3-CG 3.67Å; W541-H609 AromaticContact CE3-ND1 3.45Å; W541-H609 HydrophobicContact CZ3-CB 4.27Å; W541-H609 AromaticContact CZ3-ND1 3.92Å; A544-H609 HydrophobicContact CB-CB 3.46Å; A544-H609 VanDerWaalsContact CB-CB 3.46Å; V605-H609 WeakPolarHBondContact CG1-NE2 3.35Å; V605-H609 PolarHBondContact O-CD2 3.14Å; V605-H609 PolarHBondContact O-N 3.2Å; L606-H609 PolarHBondContact O-N 2.94Å; W607-H609 VanDerWaalsContact C-N 3.35Å; W607-H609 PolarHBondContact O-N 3.3Å; H609-I611 VanDerWaalsContact C-N 3.29Å; H609-I611 PolarHBondContact O-N 3.25Å; H609-R612 PolarHBondContact O-N 2.99Å; H609-L613 WeakPolarHBondContact O-CB 3.42Å; H609-L613 WeakPolarHBondContact O-CD1 3.42Å; H609-L613 WeakPolarHBondContact O-CG 3.39Å; H609-L613 PolarHBondContact O-N 2.69Å
610C95.7Very high94.7Very high0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-58.7-41.8177.9-70.40000111.9I548 Y550 F582 L606 W607 A614I548-C610 HydrophobicContact CD1-CB 4.15Å; Y550-C610 WeakPolarHBondContact OH-CA 3.37Å; Y550-C610 PolarHBondContact OH-O 2.69Å; F582-C610 HydrophobicContact CE1-CB 3.78Å; F582-C610 HydrophobicContact CZ-CB 4.41Å; L606-C610 PolarHBondContact O-N 2.95Å; L606-C610 PolarHBondContact O-SG 3.27Å; L606-C610 VanDerWaalsContact O-SG 3.35Å; W607-C610 PolarHBondContact O-N 3.47Å; C610-A614 WeakPolarHBondContact O-CB 3.39Å; C610-A614 PolarHBondContact O-N 3.08Å
611I95.8Very high94.8Very high0 Ų020.8 Ų20.80%010%0.104CC..Hα-helixtrans-70.2-45.7179.4-65.3166.4000111.3F582 W607 E608 H609 L613 A614 N615 L647 T651 L653 I656 P657F582-I611 HydrophobicContact CE1-CG1 4Å; F582-I611 HydrophobicContact CZ-CG1 4.28Å; W607-I611 HydrophobicContact CE3-CD1 4.29Å; W607-I611 WeakPolarHBondContact O-CB 3.49Å; W607-I611 WeakPolarHBondContact O-CD1 3.49Å; W607-I611 WeakPolarHBondContact O-CG1 3.48Å; W607-I611 PolarHBondContact O-N 2.96Å; E608-I611 PolarHBondContact O-N 2.87Å; H609-I611 VanDerWaalsContact C-N 3.29Å; H609-I611 PolarHBondContact O-N 3.25Å; I611-L613 VanDerWaalsContact C-N 3.3Å; I611-L613 PolarHBondContact O-N 2.87Å; I611-A614 PolarHBondContact O-N 3.29Å; I611-N615 WeakPolarHBondContact O-CB 3.36Å; I611-N615 PolarHBondContact O-N 3.3Å; I611-L647 HydrophobicContact CD1-CD2 4.27Å; I611-L647 HydrophobicContact CG1-CD1 4.26Å; I611-L647 HydrophobicContact CG1-CD2 4.09Å; I611-L647 HydrophobicContact CG2-CD2 4.14Å; I611-T651 HydrophobicContact CD1-CG2 3.96Å; I611-L653 HydrophobicContact CD1-CD1 4.25Å; I611-I656 HydrophobicContact CG2-CG2 3.92Å; I611-P657 HydrophobicContact CG2-CB 4.25Å; I611-P657 HydrophobicContact CG2-CG 4.4Å
612R94Very high94.8Very high65 Ų6517.9 Ų17.925%0.2459%0.085CC..Hα-helixtrans-58.6-44176.7-72-179.1179.8-80.6-0.5111.3E608 H609 N615 R616 P657 D658E608-R612 HydrophobicContact CG-CG 4.35Å; E608-R612 WeakPolarHBondContact O-CB 3.49Å; E608-R612 VanDerWaalsContact O-CG 3.22Å; E608-R612 WeakPolarHBondContact O-CG 3.4Å; E608-R612 PolarHBondContact O-N 2.76Å; E608-R612 IonicContact OE1-CZ 3.78Å; E608-R612 VanDerWaalsContact OE1-CZ 3.22Å; E608-R612 IonicContact OE1-NE 2.73Å; E608-R612 PolarHBondContact OE1-NE 3.15Å; E608-R612 IonicContact OE1-NH2 3.52Å; E608-R612 PolarHBondContact OE1-NH2 3.17Å; H609-R612 PolarHBondContact O-N 2.99Å; R612-N615 PolarHBondContact O-N 2.95Å; R612-R616 WeakPolarHBondContact O-CB 3.43Å; R612-R616 VanDerWaalsContact O-CG 3.31Å; R612-R616 WeakPolarHBondContact O-CG 3.31Å; R612-R616 PolarHBondContact O-N 3.5Å; R612-P657 HydrophobicContact CG-CB 3.68Å; R612-D658 HydrophobicContact CG-CB 4.48Å; R612-D658 VanDerWaalsContact CG-OD2 3.29Å; R612-D658 WeakPolarHBondContact CG-OD2 3.21Å; R612-D658 IonicContact CZ-OD1 3.82Å; R612-D658 IonicContact CZ-OD2 3.81Å; R612-D658 IonicContact NH1-OD1 2.91Å; R612-D658 PolarHBondContact NH1-OD1 3.15Å; R612-D658 IonicContact NH1-OD2 2.69Å; R612-D658 PolarHBondContact NH1-OD2 3.12Å
613L94.1Very high94.7Very high8 Ų818.1 Ų18.14%0.0429%0.087CC..Hα-helixtrans-62.3-44.8175.8-80.9162.3000112.2Y419 W541 A544 A545 Y550 H609 I611 R616 T617Y419-L613 HydrophobicContact CE1-CD2 3.8Å; W541-L613 HydrophobicContact CE3-CD1 4.23Å; W541-L613 HydrophobicContact CE3-CG 4.49Å; W541-L613 HydrophobicContact CH2-CD1 3.79Å; W541-L613 HydrophobicContact CH2-CD2 3.18Å; W541-L613 HydrophobicContact CH2-CG 3.3Å; W541-L613 HydrophobicContact CZ2-CD1 4.26Å; W541-L613 HydrophobicContact CZ2-CD2 3.56Å; W541-L613 HydrophobicContact CZ2-CG 4.06Å; W541-L613 HydrophobicContact CZ3-CD1 3.76Å; W541-L613 HydrophobicContact CZ3-CD2 3.99Å; W541-L613 HydrophobicContact CZ3-CG 3.56Å; A544-L613 HydrophobicContact CB-CD1 3.98Å; A545-L613 HydrophobicContact CB-CD1 4.22Å; Y550-L613 HydrophobicContact CD1-CB 4.36Å; Y550-L613 HydrophobicContact CD2-CB 4.49Å; Y550-L613 HydrophobicContact CE1-CB 3.65Å; Y550-L613 HydrophobicContact CE2-CB 3.8Å; Y550-L613 HydrophobicContact CE2-CD1 3.84Å; Y550-L613 HydrophobicContact CE2-CD2 4.47Å; Y550-L613 HydrophobicContact CE2-CG 4.26Å; Y550-L613 VanDerWaalsContact OH-CB 3.31Å; Y550-L613 WeakPolarHBondContact OH-CB 3.17Å; H609-L613 WeakPolarHBondContact O-CB 3.42Å; H609-L613 WeakPolarHBondContact O-CD1 3.42Å; H609-L613 WeakPolarHBondContact O-CG 3.39Å; H609-L613 PolarHBondContact O-N 2.69Å; I611-L613 VanDerWaalsContact C-N 3.3Å; I611-L613 PolarHBondContact O-N 2.87Å; L613-R616 PolarHBondContact O-N 3.3Å; L613-T617 WeakPolarHBondContact O-CB 3.45Å; L613-T617 PolarHBondContact O-N 3.45Å; L613-T617 PolarHBondContact O-OG1 2.93Å
614A95.8Very high94.5Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-60.4-48.3175.800000111.6Y550 L578 F582 C610 I611 R616 T617 L618 F643Y550-A614 HydrophobicContact CE1-CB 4.15Å; L578-A614 HydrophobicContact CD1-CB 4.33Å; L578-A614 HydrophobicContact CD2-CB 4.34Å; F582-A614 HydrophobicContact CE2-CB 3.8Å; F582-A614 HydrophobicContact CZ-CB 3.72Å; C610-A614 WeakPolarHBondContact O-CB 3.39Å; C610-A614 PolarHBondContact O-N 3.08Å; I611-A614 PolarHBondContact O-N 3.29Å; A614-R616 VanDerWaalsContact C-N 3.34Å; A614-R616 PolarHBondContact O-N 3Å; A614-T617 WeakPolarHBondContact O-CB 3.29Å; A614-T617 PolarHBondContact O-N 2.89Å; A614-T617 VanDerWaalsContact O-N 3.11Å; A614-L618 WeakPolarHBondContact O-CG 3.48Å; A614-L618 PolarHBondContact O-N 3.09Å; A614-F643 HydrophobicContact CB-CZ 4.14Å
615N95.3Very high94.3Very high0 Ų018 Ų180%08%0.084CC..Hα-helixtrans-62.8-39.1179.4-77.7-16.9000112.5I611 R612 L618 V619 F640 P657 D658 V662I611-N615 WeakPolarHBondContact O-CB 3.36Å; I611-N615 PolarHBondContact O-N 3.3Å; R612-N615 PolarHBondContact O-N 2.95Å; N615-L618 PolarHBondContact O-N 2.71Å; N615-V619 PolarHBondContact O-N 3.29Å; N615-V619 VanDerWaalsContact O-N 3.17Å; N615-F640 WeakPolarHBondContact OD1-CE2 3.38Å; N615-P657 PolarHBondContact ND2-O 3.46Å; N615-D658 HydrophobicContact CB-CB 4.19Å; N615-V662 HydrophobicContact CB-CG2 3.54Å
616R93.2Very high93.9Very high81 Ų8126.2 Ų26.231%0.30612%0.119SC..Hα-helixtrans-65-40.4172-74.1179174.1-1390.5112.6G423 L424 R612 L613 A614 L618 V619 E620 F661G423-R616 PolarHBondContact O-NH2 2.81Å; L424-R616 VanDerWaalsContact CG-NH1 3.29Å; R612-R616 WeakPolarHBondContact O-CB 3.43Å; R612-R616 VanDerWaalsContact O-CG 3.31Å; R612-R616 WeakPolarHBondContact O-CG 3.31Å; R612-R616 PolarHBondContact O-N 3.5Å; L613-R616 PolarHBondContact O-N 3.3Å; A614-R616 VanDerWaalsContact C-N 3.34Å; A614-R616 PolarHBondContact O-N 3Å; R616-L618 VanDerWaalsContact C-N 3.32Å; R616-L618 PolarHBondContact O-N 3.14Å; R616-V619 PolarHBondContact O-N 3.04Å; R616-E620 WeakPolarHBondContact O-CB 3.33Å; R616-E620 PolarHBondContact O-N 3.12Å; R616-F661 HydrophobicContact CG-CE1 4.05Å
617T94.6Very high93.5Very high13 Ų1333.3 Ų33.38%0.0815%0.15CC..Hα-helixtrans-62.2-40.6176.3-57.10000111.2Y550 M553 L554 L613 A614 E620 G621Y550-T617 HydrophobicContact CD1-CG2 4.46Å; Y550-T617 WeakPolarHBondContact CD1-OG1 3.42Å; Y550-T617 WeakPolarHBondContact O-CG2 3.34Å; M553-T617 HydrophobicContact CB-CG2 4.04Å; L554-T617 HydrophobicContact CD2-CG2 3.81Å; L554-T617 WeakPolarHBondContact CD2-O 2.87Å; L554-T617 HydrophobicContact CG-CG2 3.77Å; L613-T617 WeakPolarHBondContact O-CB 3.45Å; L613-T617 PolarHBondContact O-N 3.45Å; L613-T617 PolarHBondContact O-OG1 2.93Å; A614-T617 WeakPolarHBondContact O-CB 3.29Å; A614-T617 PolarHBondContact O-N 2.89Å; A614-T617 VanDerWaalsContact O-N 3.11Å; T617-E620 PolarHBondContact O-N 3.22Å; T617-G621 PolarHBondContact O-N 3.36Å
618L95.6Very high93.1Very high5 Ų533.6 Ų33.63%0.02615%0.153CC..Hα-helixtrans-61.9-49.2175.7-68.9174.7000111.9M557 Y574 L578 A614 N615 R616 E620 G621 Y622 F640 F643M557-L618 HydrophobicContact CE-CD2 4.2Å; M557-L618 WeakPolarHBondContact CE-O 3.42Å; M557-L618 HydrophobicContact SD-CD2 4.1Å; Y574-L618 HydrophobicContact CD2-CD2 4.41Å; Y574-L618 HydrophobicContact CE2-CD2 3.61Å; L578-L618 HydrophobicContact CD2-CD2 4.42Å; A614-L618 WeakPolarHBondContact O-CG 3.48Å; A614-L618 PolarHBondContact O-N 3.09Å; N615-L618 PolarHBondContact O-N 2.71Å; R616-L618 VanDerWaalsContact C-N 3.32Å; R616-L618 PolarHBondContact O-N 3.14Å; L618-E620 VanDerWaalsContact C-N 3.31Å; L618-E620 PolarHBondContact O-N 3.47Å; L618-G621 PolarHBondContact O-N 3.41Å; L618-Y622 HydrophobicContact CB-CE2 4.17Å; L618-Y622 WeakPolarHBondContact O-CD2 3.27Å; L618-Y622 VanDerWaalsContact O-CG 3.27Å; L618-Y622 PolarHBondContact O-N 3.17Å; L618-F640 HydrophobicContact CD1-CD2 3.77Å; L618-F640 HydrophobicContact CD1-CE2 4.02Å; L618-F643 HydrophobicContact CD1-CD1 4.11Å; L618-F643 HydrophobicContact CD1-CE1 4.27Å
619V94.9Very high92.9Very high0 Ų031.8 Ų31.80%015%0.146CC..Hα-helixtrans-62.4-40.5177.6171.20000111.3N615 R616 G621 Y622 A623 F661 V662 Y665 Y686 Q690N615-V619 PolarHBondContact O-N 3.29Å; N615-V619 VanDerWaalsContact O-N 3.17Å; R616-V619 PolarHBondContact O-N 3.04Å; V619-G621 VanDerWaalsContact C-N 3.33Å; V619-G621 PolarHBondContact O-N 3.17Å; V619-Y622 PolarHBondContact O-N 2.86Å; V619-A623 WeakPolarHBondContact O-CB 3.44Å; V619-A623 PolarHBondContact O-N 3.41Å; V619-F661 HydrophobicContact CB-CD1 4.41Å; V619-F661 HydrophobicContact CB-CE1 3.64Å; V619-F661 HydrophobicContact CB-CZ 4.21Å; V619-F661 HydrophobicContact CG1-CE1 3.95Å; V619-F661 HydrophobicContact CG1-CZ 3.99Å; V619-F661 HydrophobicContact CG2-CD1 3.73Å; V619-F661 HydrophobicContact CG2-CE1 3.46Å; V619-F661 VanDerWaalsContact CG2-CE1 3.46Å; V619-F661 HydrophobicContact CG2-CZ 4.27Å; V619-V662 HydrophobicContact CG2-CB 4.25Å; V619-V662 HydrophobicContact CG2-CG1 4.25Å; V619-V662 HydrophobicContact CG2-CG2 4.06Å; V619-Y665 HydrophobicContact CG1-CD1 3.98Å; V619-Y665 HydrophobicContact CG1-CD2 3.79Å; V619-Y665 HydrophobicContact CG1-CE1 4.24Å; V619-Y665 HydrophobicContact CG1-CE2 4.07Å; V619-Y665 HydrophobicContact CG1-CG 3.75Å; V619-Y665 HydrophobicContact CG2-CG 4.29Å; V619-Y686 HydrophobicContact CG1-CD1 4.22Å; V619-Y686 HydrophobicContact CG1-CE1 4.34Å; V619-Q690 HydrophobicContact CG1-CG 4.32Å
620E93.9Very high92.6Very high26 Ų2636 Ų3612%0.12117%0.169CC..Hα-helixtrans-64.2-39.2175.6-173.258.6-154.700112L418 L554 R616 T617 L618 A623 N624 K689 Q690L418-E620 HydrophobicContact CD2-CG 4.11Å; L554-E620 HydrophobicContact CD2-CB 4.11Å; L554-E620 HydrophobicContact CD2-CG 4.14Å; R616-E620 WeakPolarHBondContact O-CB 3.33Å; R616-E620 PolarHBondContact O-N 3.12Å; T617-E620 PolarHBondContact O-N 3.22Å; L618-E620 VanDerWaalsContact C-N 3.31Å; L618-E620 PolarHBondContact O-N 3.47Å; E620-A623 PolarHBondContact O-N 2.9Å; E620-N624 PolarHBondContact O-N 3.11Å; E620-N624 PolarHBondContact O-ND2 2.93Å; E620-K689 IonicContact OE1-NZ 3.8Å; E620-K689 PolarHBondContact OE1-NZ 3.22Å; E620-Q690 PolarHBondContact OE2-NE2 3.48Å
621G93.7Very high92.3Very high4 Ų439.1 Ų39.14%0.04118%0.184CC..Hα-helixtrans-60.9-45.6172.700000112.5T617 L618 V619 N624T617-G621 PolarHBondContact O-N 3.36Å; L618-G621 PolarHBondContact O-N 3.41Å; V619-G621 VanDerWaalsContact C-N 3.33Å; V619-G621 PolarHBondContact O-N 3.17Å; G621-N624 PolarHBondContact O-N 3.5Å
622Y93.9Very high92.1Very high0 Ų039.1 Ų39.10%018%0.184CC..Hα-helixtrans-65.3-37.5175.8-58.9-36000112.4M557 W562 Y574 L618 V619 N624 V625 M636 V662 I666 Y669M557-Y622 HydrophobicContact CE-CD1 3.57Å; M557-Y622 HydrophobicContact CE-CE1 3.42Å; M557-Y622 VanDerWaalsContact CE-CE1 3.42Å; M557-Y622 HydrophobicContact CE-CG 4.29Å; W562-Y622 HydrophobicContact CH2-CD1 4.24Å; W562-Y622 AromaticContact CH2-CE1 3.74Å; W562-Y622 HydrophobicContact CH2-CE1 3.74Å; W562-Y622 HydrophobicContact CZ2-CD1 4.16Å; W562-Y622 HydrophobicContact CZ2-CE1 4.01Å; Y574-Y622 PolarHBondContact OH-OH 3.43Å; Y574-Y622 VanDerWaalsContact OH-OH 3.14Å; L618-Y622 HydrophobicContact CB-CE2 4.17Å; L618-Y622 WeakPolarHBondContact O-CD2 3.27Å; L618-Y622 VanDerWaalsContact O-CG 3.27Å; L618-Y622 PolarHBondContact O-N 3.17Å; V619-Y622 PolarHBondContact O-N 2.86Å; Y622-N624 PolarHBondContact O-N 2.91Å; Y622-V625 VanDerWaalsContact O-CB 3.26Å; Y622-V625 WeakPolarHBondContact O-CB 3.19Å; Y622-V625 VanDerWaalsContact O-CG2 3.24Å; Y622-V625 WeakPolarHBondContact O-CG2 3.47Å; Y622-V625 PolarHBondContact O-N 3.12Å; Y622-V625 VanDerWaalsContact O-N 3.1Å; Y622-M636 HydrophobicContact CD1-CE 4.03Å; Y622-M636 HydrophobicContact CD1-CG 3.9Å; Y622-M636 HydrophobicContact CD1-SD 4Å; Y622-M636 HydrophobicContact CE1-CB 4.1Å; Y622-M636 HydrophobicContact CE1-CG 3.8Å; Y622-M636 HydrophobicContact CE1-SD 4.47Å; Y622-M636 HydrophobicContact CG-SD 4.24Å; Y622-V662 HydrophobicContact CE2-CG1 4.13Å; Y622-I666 HydrophobicContact CD2-CG1 4.32Å; Y622-I666 HydrophobicContact CE2-CD1 3.96Å; Y622-I666 HydrophobicContact CE2-CG1 4.16Å; Y622-Y669 PolarHBondContact O-OH 2.85Å
623A91.9Very high91.9Very high4 Ų437 Ų373%0.03318%0.176CC..Hα-helixtrans-68-14.3176.300000114.2V619 E620 Y665 Q690 N693V619-A623 WeakPolarHBondContact O-CB 3.44Å; V619-A623 PolarHBondContact O-N 3.41Å; E620-A623 PolarHBondContact O-N 2.9Å; A623-Y665 WeakPolarHBondContact CA-OH 3.5Å; A623-Y665 WeakPolarHBondContact CB-OH 3.46Å; A623-Q690 HydrophobicContact CB-CB 4.19Å; A623-Q690 HydrophobicContact CB-CG 3.61Å; A623-N693 HydrophobicContact CB-CB 4.33Å; A623-N693 WeakPolarHBondContact O-CB 3.46Å; A623-N693 PolarHBondContact O-ND2 3.18Å
624N91.1Very high91.8Very high71 Ų7138 Ų3838%0.3819%0.185SC..THydrogen-bonded Turntrans-87.3-6.1174-71.8-41.5000113.3E620 G621 Y622 K689E620-N624 PolarHBondContact O-N 3.11Å; E620-N624 PolarHBondContact O-ND2 2.93Å; G621-N624 PolarHBondContact O-N 3.5Å; Y622-N624 PolarHBondContact O-N 2.91Å; N624-K689 VanDerWaalsContact OD1-CE 3.22Å; N624-K689 WeakPolarHBondContact OD1-CE 3.35Å; N624-K689 PolarHBondContact OD1-NZ 3.46Å
625V90.1Very high91.7Very high9 Ų938.1 Ų38.16%0.05519%0.185CC..  trans-70.8130.7-179.21790000110.6W562 Y622 K627 C628 M636 N693 V697W562-V625 HydrophobicContact CB-CG1 3.75Å; W562-V625 HydrophobicContact CD2-CG2 4.34Å; W562-V625 HydrophobicContact CG-CG1 3.82Å; W562-V625 HydrophobicContact CG-CG2 3.89Å; Y622-V625 VanDerWaalsContact O-CB 3.26Å; Y622-V625 WeakPolarHBondContact O-CB 3.19Å; Y622-V625 VanDerWaalsContact O-CG2 3.24Å; Y622-V625 WeakPolarHBondContact O-CG2 3.47Å; Y622-V625 PolarHBondContact O-N 3.12Å; Y622-V625 VanDerWaalsContact O-N 3.1Å; V625-K627 VanDerWaalsContact CG1-O 3.25Å; V625-K627 WeakPolarHBondContact CG1-O 3.15Å; V625-C628 HydrophobicContact CG1-CB 4.03Å; V625-M636 HydrophobicContact CB-CE 4.48Å; V625-M636 HydrophobicContact CG1-CE 4.44Å; V625-M636 HydrophobicContact CG2-CE 3.95Å; V625-N693 PolarHBondContact O-ND2 3.21Å; V625-V697 WeakPolarHBondContact O-CG2 3.42Å
626K87.7Confident91.7Very high191 Ų19138.1 Ų38.183%0.8319%0.185SC*.SBendtrans-92.2-29.9-179-64.1-178.7-177.5175.40113.9
627K85.8Confident91.7Very high150 Ų15038.2 Ų38.265%0.65219%0.189SC*.  trans-143.7130.1-179.7-66.8-174.2179-175.90108.4D563 V625D563-K627 HydrophobicContact CB-CB 4.37Å; V625-K627 VanDerWaalsContact CG1-O 3.25Å; V625-K627 WeakPolarHBondContact CG1-O 3.15Å
628C88.8Confident91.7Very high16 Ų1639.6 Ų39.611%0.10820%0.196CC..  trans-139.5118.1-178.2-167.60000110.2W562 V625 M636 Y669 V697W562-C628 HydrophobicContact CB-CB 4.39Å; V625-C628 HydrophobicContact CG1-CB 4.03Å; C628-M636 VanDerWaalsContact SG-CE 3.59Å; C628-Y669 HydrophobicContact CB-CE1 4.43Å; C628-V697 HydrophobicContact CB-CG1 3.63Å
629S90.4Very high91.7Very high15 Ų1539.4 Ų39.411%0.10520%0.195CC..  trans-75.4167.2174.457.40000111.6W562 I564 E631 G632 R633W562-S629 PolarHBondContact O-N 2.93Å; W562-S629 PolarHBondContact O-OG 3.43Å; I564-S629 PolarHBondContact N-OG 2.9Å; I564-S629 WeakPolarHBondContact O-CB 3.49Å; I564-S629 PolarHBondContact O-OG 3.39Å; I564-S629 VanDerWaalsContact O-OG 3.12Å; S629-E631 VanDerWaalsContact C-N 3.28Å; S629-E631 PolarHBondContact O-N 3.28Å; S629-G632 PolarHBondContact O-N 2.94Å; S629-G632 PolarHBondContact OG-N 2.91Å; S629-R633 WeakPolarHBondContact O-CG 3.45Å; S629-R633 PolarHBondContact O-N 3.49Å
630N87.9Confident91.8Very high98 Ų9839.7 Ų39.752%0.52420%0.196SC..Hα-helixtrans-64.1-38.3175-75.5-24.3000111.5G632 R633 A634N630-G632 VanDerWaalsContact C-N 3.34Å; N630-R633 PolarHBondContact O-N 3.06Å; N630-R633 PolarHBondContact OD1-NH1 2.87Å; N630-A634 PolarHBondContact O-N 2.7Å; N630-A634 VanDerWaalsContact O-N 3.09Å
631E89.9Confident91.8Very high66 Ų6643 Ų4331%0.30821%0.212SC..Hα-helixtrans-65-38.4174.7-64.472.7-160.300110.9I564 I567 S629 A634 L635I564-E631 HydrophobicContact CD1-CB 4.24Å; I564-E631 HydrophobicContact CG1-CB 3.83Å; I567-E631 HydrophobicContact CD1-CG 4.48Å; I567-E631 HydrophobicContact CG1-CB 3.65Å; I567-E631 HydrophobicContact CG1-CG 3.78Å; S629-E631 VanDerWaalsContact C-N 3.28Å; S629-E631 PolarHBondContact O-N 3.28Å; E631-A634 WeakPolarHBondContact O-CB 3.29Å; E631-A634 PolarHBondContact O-N 2.84Å; E631-L635 PolarHBondContact O-N 3.09Å
632G91Very high91.9Very high0 Ų045.3 Ų45.30%022%0.221CC..Hα-helixtrans-65.4-37173.400000113.7W562 S629 N630 L635 M636W562-G632 WeakPolarHBondContact O-CA 3.3Å; S629-G632 PolarHBondContact O-N 2.94Å; S629-G632 PolarHBondContact OG-N 2.91Å; N630-G632 VanDerWaalsContact C-N 3.34Å; G632-L635 WeakPolarHBondContact O-CB 3.49Å; G632-L635 PolarHBondContact O-N 3.39Å; G632-M636 WeakPolarHBondContact O-CG 3.45Å; G632-M636 PolarHBondContact O-N 3.4Å
633R91.1Very high92Very high20 Ų2045.4 Ų45.48%0.07522%0.222CC..Hα-helixtrans-65.2-41.6172.8-61.9162.8-165.9-162.2-5.9111.2S629 N630 L635 M636 Q637 Y669 Y670S629-R633 WeakPolarHBondContact O-CG 3.45Å; S629-R633 PolarHBondContact O-N 3.49Å; N630-R633 PolarHBondContact O-N 3.06Å; N630-R633 PolarHBondContact OD1-NH1 2.87Å; R633-L635 VanDerWaalsContact C-N 3.27Å; R633-L635 PolarHBondContact O-N 3.12Å; R633-M636 WeakPolarHBondContact O-CB 3.04Å; R633-M636 PolarHBondContact O-N 2.94Å; R633-Q637 PolarHBondContact O-N 3.41Å; R633-Q637 VanDerWaalsContact O-N 3.12Å; R633-Y669 HydrophobicContact CG-CD1 4.27Å; R633-Y669 HydrophobicContact CG-CG 4.27Å; R633-Y669 PolarHBondContact NH1-O 3.17Å; R633-Y670 HydrophobicContact CB-CE2 4.23Å; R633-Y670 VanDerWaalsContact CB-OH 3.23Å; R633-Y670 WeakPolarHBondContact CB-OH 3.39Å
634A91.4Very high92.3Very high28 Ų2845.7 Ų45.723%0.23122%0.223CC..Hα-helixtrans-62.4-36.1173.200000111.7I567 N630 E631 Q637 L638I567-A634 HydrophobicContact CD1-CB 3.76Å; I567-A634 HydrophobicContact CG1-CB 4.35Å; N630-A634 PolarHBondContact O-N 2.7Å; N630-A634 VanDerWaalsContact O-N 3.09Å; E631-A634 WeakPolarHBondContact O-CB 3.29Å; E631-A634 PolarHBondContact O-N 2.84Å; A634-Q637 PolarHBondContact O-N 3.31Å; A634-L638 PolarHBondContact O-N 3.39Å
635L93.4Very high92.4Very high3 Ų347.6 Ų47.62%0.01623%0.231CC..Hα-helixtrans-65.1-41.5173.1-175.759.9000112.4W562 I564 E631 G632 R633 Q637 L638 D639W562-L635 HydrophobicContact CZ3-CB 4.44Å; W562-L635 HydrophobicContact CZ3-CD2 4.43Å; W562-L635 HydrophobicContact CZ3-CG 4.25Å; I564-L635 HydrophobicContact CD1-CB 4.27Å; I564-L635 HydrophobicContact CD1-CD2 3.88Å; E631-L635 PolarHBondContact O-N 3.09Å; G632-L635 WeakPolarHBondContact O-CB 3.49Å; G632-L635 PolarHBondContact O-N 3.39Å; R633-L635 VanDerWaalsContact C-N 3.27Å; R633-L635 PolarHBondContact O-N 3.12Å; L635-Q637 PolarHBondContact O-N 3.41Å; L635-L638 HydrophobicContact CD1-CD2 4.24Å; L635-L638 PolarHBondContact O-N 2.85Å; L635-D639 WeakPolarHBondContact O-CB 3.46Å; L635-D639 VanDerWaalsContact O-CG 3.27Å; L635-D639 PolarHBondContact O-N 3.19Å
636M94.4Very high92.6Very high0 Ų050.9 Ų50.90%024%0.244CC..Hα-helixtrans-57.7-40.3173.2-66174176.200111.7W562 Y622 V625 C628 G632 R633 F640 I666 Y669W562-M636 HydrophobicContact CB-CE 4.37Å; W562-M636 HydrophobicContact CD2-CE 3.56Å; W562-M636 HydrophobicContact CD2-CG 4.38Å; W562-M636 HydrophobicContact CE3-CE 3.55Å; W562-M636 HydrophobicContact CE3-CG 3.51Å; W562-M636 HydrophobicContact CE3-SD 4.4Å; W562-M636 HydrophobicContact CG-CE 3.96Å; W562-M636 HydrophobicContact CH2-CG 3.78Å; W562-M636 HydrophobicContact CZ3-CB 4.11Å; W562-M636 HydrophobicContact CZ3-CE 4.1Å; W562-M636 HydrophobicContact CZ3-CG 3.17Å; Y622-M636 HydrophobicContact CD1-CE 4.03Å; Y622-M636 HydrophobicContact CD1-CG 3.9Å; Y622-M636 HydrophobicContact CD1-SD 4Å; Y622-M636 HydrophobicContact CE1-CB 4.1Å; Y622-M636 HydrophobicContact CE1-CG 3.8Å; Y622-M636 HydrophobicContact CE1-SD 4.47Å; Y622-M636 HydrophobicContact CG-SD 4.24Å; V625-M636 HydrophobicContact CB-CE 4.48Å; V625-M636 HydrophobicContact CG1-CE 4.44Å; V625-M636 HydrophobicContact CG2-CE 3.95Å; C628-M636 VanDerWaalsContact SG-CE 3.59Å; G632-M636 WeakPolarHBondContact O-CG 3.45Å; G632-M636 PolarHBondContact O-N 3.4Å; R633-M636 WeakPolarHBondContact O-CB 3.04Å; R633-M636 PolarHBondContact O-N 2.94Å; M636-F640 PolarHBondContact O-N 3.39Å; M636-F640 VanDerWaalsContact O-N 3.12Å; M636-I666 HydrophobicContact CB-CD1 4.37Å; M636-I666 HydrophobicContact CB-CG1 4.5Å; M636-Y669 HydrophobicContact SD-CE2 4.3Å
637Q93.9Very high92.9Very high84 Ų8441.8 Ų41.839%0.39321%0.205SC..Hα-helixtrans-68.3-42.2177-171.2171.312.200111.8R633 A634 L635 F640 Q641 I666R633-Q637 PolarHBondContact O-N 3.41Å; R633-Q637 VanDerWaalsContact O-N 3.12Å; A634-Q637 PolarHBondContact O-N 3.31Å; L635-Q637 PolarHBondContact O-N 3.41Å; Q637-F640 PolarHBondContact O-N 3.35Å; Q637-Q641 WeakPolarHBondContact O-CB 3.41Å; Q637-Q641 VanDerWaalsContact O-CG 3.29Å; Q637-Q641 WeakPolarHBondContact O-CG 3.45Å; Q637-Q641 PolarHBondContact O-N 2.92Å; Q637-I666 HydrophobicContact CB-CG2 4.33Å
638L94.3Very high93.3Very high41 Ų4138.1 Ų38.122%0.21519%0.19CC..Hα-helixtrans-61.3-47.3175.6-179.265.5000111.3A634 L635 F640 Q641 Q642A634-L638 PolarHBondContact O-N 3.39Å; L635-L638 HydrophobicContact CD1-CD2 4.24Å; L635-L638 PolarHBondContact O-N 2.85Å; L638-F640 VanDerWaalsContact C-N 3.34Å; L638-F640 PolarHBondContact O-N 3.48Å; L638-Q641 PolarHBondContact O-N 3.29Å; L638-Q642 HydrophobicContact CD1-CG 4.41Å; L638-Q642 WeakPolarHBondContact O-CG 3.46Å; L638-Q642 PolarHBondContact O-N 3.43Å
639D95.7Very high93.5Very high1 Ų145.9 Ų45.91%0.00522%0.222CC..Hα-helixtrans-56.3-48.5178-74.4-14.8000111.2H571 N572 Y574 V575 L635 Q642 F643H571-D639 WeakPolarHBondContact CA-OD1 3.46Å; H571-D639 WeakPolarHBondContact CB-OD1 3.41Å; N572-D639 PolarHBondContact N-OD1 3.4Å; N572-D639 PolarHBondContact ND2-OD2 3.22Å; Y574-D639 WeakPolarHBondContact OH-CB 3.43Å; Y574-D639 PolarHBondContact OH-OD2 3.35Å; Y574-D639 VanDerWaalsContact OH-OD2 3.09Å; V575-D639 HydrophobicContact CG2-CB 3.76Å; L635-D639 WeakPolarHBondContact O-CB 3.46Å; L635-D639 VanDerWaalsContact O-CG 3.27Å; L635-D639 PolarHBondContact O-N 3.19Å; D639-Q642 PolarHBondContact O-N 2.99Å; D639-F643 WeakPolarHBondContact O-CB 3.2Å; D639-F643 PolarHBondContact O-N 2.94Å
640F96.7Very high93.6Very high6 Ų647.2 Ų47.23%0.02623%0.227CC..Hα-helixtrans-68.7-37.2-179.9-172.2-122.1000112.8N615 L618 M636 Q637 L638 F643 L644 K659 V662 E663 I666N615-F640 WeakPolarHBondContact OD1-CE2 3.38Å; L618-F640 HydrophobicContact CD1-CD2 3.77Å; L618-F640 HydrophobicContact CD1-CE2 4.02Å; M636-F640 PolarHBondContact O-N 3.39Å; M636-F640 VanDerWaalsContact O-N 3.12Å; Q637-F640 PolarHBondContact O-N 3.35Å; L638-F640 VanDerWaalsContact C-N 3.34Å; L638-F640 PolarHBondContact O-N 3.48Å; F640-F643 HydrophobicContact CD2-CD1 4Å; F640-F643 AromaticContact CE2-CD1 3.92Å; F640-F643 HydrophobicContact CE2-CD1 3.92Å; F640-F643 HydrophobicContact CE2-CE1 4.39Å; F640-F643 WeakPolarHBondContact O-CB 3.32Å; F640-F643 PolarHBondContact O-N 3.33Å; F640-L644 HydrophobicContact CD1-CD1 3.97Å; F640-L644 HydrophobicContact CD1-CG 4.43Å; F640-L644 HydrophobicContact CD2-CG 4.5Å; F640-L644 HydrophobicContact CE1-CD1 3.53Å; F640-L644 HydrophobicContact CE1-CD2 4.44Å; F640-L644 HydrophobicContact CE1-CG 4.05Å; F640-L644 HydrophobicContact CE2-CD2 4.19Å; F640-L644 HydrophobicContact CE2-CG 4.14Å; F640-L644 HydrophobicContact CZ-CD1 3.84Å; F640-L644 HydrophobicContact CZ-CD2 3.88Å; F640-L644 HydrophobicContact CZ-CG 3.9Å; F640-L644 WeakPolarHBondContact O-CG 3.35Å; F640-L644 PolarHBondContact O-N 3.43Å; F640-K659 HydrophobicContact CE1-CG 4.37Å; F640-K659 HydrophobicContact CZ-CG 4.39Å; F640-V662 HydrophobicContact CD1-CB 4.32Å; F640-V662 HydrophobicContact CD1-CG1 4.02Å; F640-V662 HydrophobicContact CD2-CB 4.27Å; F640-V662 HydrophobicContact CD2-CG1 3.73Å; F640-V662 HydrophobicContact CE1-CB 3.82Å; F640-V662 HydrophobicContact CE1-CG1 4.03Å; F640-V662 HydrophobicContact CE2-CB 3.77Å; F640-V662 HydrophobicContact CE2-CG1 3.75Å; F640-V662 HydrophobicContact CE2-CG2 3.83Å; F640-V662 HydrophobicContact CG-CG1 3.87Å; F640-V662 HydrophobicContact CZ-CB 3.52Å; F640-V662 HydrophobicContact CZ-CG1 3.91Å; F640-V662 HydrophobicContact CZ-CG2 3.85Å; F640-E663 HydrophobicContact CD1-CG 4.23Å; F640-E663 HydrophobicContact CE1-CG 3.72Å; F640-I666 HydrophobicContact CB-CD1 4.1Å; F640-I666 HydrophobicContact CG-CD1 4.48Å
641Q95.5Very high93.8Very high96 Ų9642.9 Ų42.945%0.44921%0.205SC..Hα-helixtrans-63.4-43.2174-77.2179.9-8.200111.9Q637 L638 F643 L644 M645Q637-Q641 WeakPolarHBondContact O-CB 3.41Å; Q637-Q641 VanDerWaalsContact O-CG 3.29Å; Q637-Q641 WeakPolarHBondContact O-CG 3.45Å; Q637-Q641 PolarHBondContact O-N 2.92Å; L638-Q641 PolarHBondContact O-N 3.29Å; Q641-F643 VanDerWaalsContact C-N 3.35Å; Q641-L644 PolarHBondContact O-N 3.3Å; Q641-M645 WeakPolarHBondContact O-CB 3.43Å; Q641-M645 VanDerWaalsContact O-CG 3.29Å; Q641-M645 WeakPolarHBondContact O-CG 3.45Å; Q641-M645 PolarHBondContact O-N 3.33Å
642Q95.2Very high93.8Very high52 Ų5247.3 Ų47.324%0.24323%0.231CC..Hα-helixtrans-63.9-41.1176.2-71.2-58.6-37.800111.8H571 V575 L638 D639 K646H571-Q642 HydrophobicContact CB-CB 4.22Å; H571-Q642 HydrophobicContact CB-CG 4Å; V575-Q642 HydrophobicContact CG1-CB 4.45Å; L638-Q642 HydrophobicContact CD1-CG 4.41Å; L638-Q642 WeakPolarHBondContact O-CG 3.46Å; L638-Q642 PolarHBondContact O-N 3.43Å; D639-Q642 PolarHBondContact O-N 2.99Å; Q642-K646 PolarHBondContact O-N 2.86Å
643F96.8Very high93.8Very high2 Ų248.6 Ų48.61%0.00924%0.237CC..Hα-helixtrans-56.6-52.7172.4174.9-114000111.5V575 L578 L579 F582 A614 L618 D639 F640 Q641 M645 K646 L647V575-F643 HydrophobicContact CG1-CB 3.93Å; L578-F643 HydrophobicContact CD2-CD2 3.99Å; L578-F643 HydrophobicContact CD2-CE2 3.65Å; L578-F643 HydrophobicContact CD2-CZ 4.15Å; L578-F643 HydrophobicContact CG-CD2 4.38Å; L578-F643 HydrophobicContact CG-CE2 3.89Å; L579-F643 HydrophobicContact CD2-CD2 3.83Å; L579-F643 HydrophobicContact CD2-CE2 4.15Å; L579-F643 HydrophobicContact CG-CD2 4.06Å; F582-F643 HydrophobicContact CD2-CE2 4.07Å; F582-F643 AromaticContact CE2-CE2 3.74Å; F582-F643 HydrophobicContact CE2-CE2 3.74Å; F582-F643 AromaticContact CE2-CZ 3.81Å; F582-F643 HydrophobicContact CE2-CZ 3.81Å; F582-F643 HydrophobicContact CZ-CZ 4.32Å; A614-F643 HydrophobicContact CB-CZ 4.14Å; L618-F643 HydrophobicContact CD1-CD1 4.11Å; L618-F643 HydrophobicContact CD1-CE1 4.27Å; D639-F643 WeakPolarHBondContact O-CB 3.2Å; D639-F643 PolarHBondContact O-N 2.94Å; F640-F643 HydrophobicContact CD2-CD1 4Å; F640-F643 AromaticContact CE2-CD1 3.92Å; F640-F643 HydrophobicContact CE2-CD1 3.92Å; F640-F643 HydrophobicContact CE2-CE1 4.39Å; F640-F643 WeakPolarHBondContact O-CB 3.32Å; F640-F643 PolarHBondContact O-N 3.33Å; Q641-F643 VanDerWaalsContact C-N 3.35Å; F643-M645 PolarHBondContact O-N 3.23Å; F643-K646 PolarHBondContact O-N 2.93Å; F643-L647 HydrophobicContact CE1-CD2 3.82Å; F643-L647 HydrophobicContact CE2-CD2 4.46Å; F643-L647 HydrophobicContact CZ-CD1 4.45Å; F643-L647 HydrophobicContact CZ-CD2 3.74Å; F643-L647 HydrophobicContact CZ-CG 4.48Å; F643-L647 WeakPolarHBondContact O-CB 3.49Å; F643-L647 PolarHBondContact O-N 2.98Å
644L96.3Very high93.9Very high10 Ų1053.7 Ų53.75%0.05226%0.256CS..Hα-helixtrans-60.5-47.8-179.9-72177.5000112.6F640 Q641 K646 L647 E648 I656 K659F640-L644 HydrophobicContact CD1-CD1 3.97Å; F640-L644 HydrophobicContact CD1-CG 4.43Å; F640-L644 HydrophobicContact CD2-CG 4.5Å; F640-L644 HydrophobicContact CE1-CD1 3.53Å; F640-L644 HydrophobicContact CE1-CD2 4.44Å; F640-L644 HydrophobicContact CE1-CG 4.05Å; F640-L644 HydrophobicContact CE2-CD2 4.19Å; F640-L644 HydrophobicContact CE2-CG 4.14Å; F640-L644 HydrophobicContact CZ-CD1 3.84Å; F640-L644 HydrophobicContact CZ-CD2 3.88Å; F640-L644 HydrophobicContact CZ-CG 3.9Å; F640-L644 WeakPolarHBondContact O-CG 3.35Å; F640-L644 PolarHBondContact O-N 3.43Å; Q641-L644 PolarHBondContact O-N 3.3Å; L644-K646 VanDerWaalsContact C-N 3.26Å; L644-K646 PolarHBondContact O-N 3.09Å; L644-L647 PolarHBondContact O-N 3.01Å; L644-E648 WeakPolarHBondContact O-CB 3.3Å; L644-E648 VanDerWaalsContact O-CG 3.32Å; L644-E648 WeakPolarHBondContact O-CG 3.45Å; L644-E648 PolarHBondContact O-N 3.39Å; L644-I656 HydrophobicContact CD2-CG2 3.99Å; L644-K659 HydrophobicContact CD1-CD 4.08Å; L644-K659 HydrophobicContact CD1-CG 4.15Å; L644-K659 HydrophobicContact CD2-CD 4.46Å; L644-K659 HydrophobicContact CD2-CG 4.41Å
645M93.9Very high93.9Very high111 Ų11158.1 Ų58.155%0.54728%0.283SS..Hα-helixtrans-59.2-36.4-177.7-75.8-178.470.400113.2Q641 F643Q641-M645 WeakPolarHBondContact O-CB 3.43Å; Q641-M645 VanDerWaalsContact O-CG 3.29Å; Q641-M645 WeakPolarHBondContact O-CG 3.45Å; Q641-M645 PolarHBondContact O-N 3.33Å; F643-M645 PolarHBondContact O-N 3.23Å
646K94Very high93.9Very high79 Ų7958.4 Ų58.434%0.34328%0.284SS..Hα-helixtrans-83.8-40.1177.6-70.6178.7178.4-178.50111.3D576 L579 Q642 F643 L644 E648 K649D576-K646 IonicContact OD1-NZ 2.99Å; D576-K646 PolarHBondContact OD1-NZ 3.36Å; L579-K646 HydrophobicContact CD1-CB 3.68Å; L579-K646 HydrophobicContact CD1-CD 3.33Å; L579-K646 HydrophobicContact CD1-CG 4.12Å; L579-K646 HydrophobicContact CD2-CB 3.74Å; L579-K646 HydrophobicContact CG-CB 4.36Å; Q642-K646 PolarHBondContact O-N 2.86Å; F643-K646 PolarHBondContact O-N 2.93Å; L644-K646 VanDerWaalsContact C-N 3.26Å; L644-K646 PolarHBondContact O-N 3.09Å; K646-E648 VanDerWaalsContact C-N 3.33Å; K646-E648 PolarHBondContact O-N 3.12Å; K646-K649 WeakPolarHBondContact O-CB 3.49Å; K646-K649 PolarHBondContact O-N 3.23Å; K646-K649 VanDerWaalsContact O-N 3.15Å
647L94.7Very high93.8Very high0 Ų059.1 Ų59.10%029%0.289CS..Hα-helixtrans-59.3-42176.6-179.869.5000112.1L579 F582 W607 I611 F643 L644 K649 L650 T651 I656L579-L647 HydrophobicContact CD2-CB 4.42Å; F582-L647 HydrophobicContact CD1-CD1 4.03Å; F582-L647 HydrophobicContact CD2-CD1 4.37Å; F582-L647 HydrophobicContact CE1-CD1 4.09Å; F582-L647 HydrophobicContact CE2-CD1 4.47Å; F582-L647 HydrophobicContact CG-CD1 4.16Å; F582-L647 HydrophobicContact CZ-CD1 4.32Å; W607-L647 HydrophobicContact CZ3-CD1 4.35Å; I611-L647 HydrophobicContact CD1-CD2 4.27Å; I611-L647 HydrophobicContact CG1-CD1 4.26Å; I611-L647 HydrophobicContact CG1-CD2 4.09Å; I611-L647 HydrophobicContact CG2-CD2 4.14Å; F643-L647 HydrophobicContact CE1-CD2 3.82Å; F643-L647 HydrophobicContact CE2-CD2 4.46Å; F643-L647 HydrophobicContact CZ-CD1 4.45Å; F643-L647 HydrophobicContact CZ-CD2 3.74Å; F643-L647 HydrophobicContact CZ-CG 4.48Å; F643-L647 WeakPolarHBondContact O-CB 3.49Å; F643-L647 PolarHBondContact O-N 2.98Å; L644-L647 PolarHBondContact O-N 3.01Å; L647-K649 PolarHBondContact O-N 3.27Å; L647-L650 WeakPolarHBondContact O-CB 3.19Å; L647-L650 PolarHBondContact O-N 3.4Å; L647-T651 HydrophobicContact CG-CG2 4.37Å; L647-T651 PolarHBondContact O-N 3.18Å; L647-I656 HydrophobicContact CD2-CG2 4.29Å
648E93.9Very high93.7Very high73 Ų7357 Ų5734%0.34128%0.28SS..THydrogen-bonded Turntrans-59.2-20.2178.7-81.8-176.7-174.700113.6L644 K646 R654 I656L644-E648 WeakPolarHBondContact O-CB 3.3Å; L644-E648 VanDerWaalsContact O-CG 3.32Å; L644-E648 WeakPolarHBondContact O-CG 3.45Å; L644-E648 PolarHBondContact O-N 3.39Å; K646-E648 VanDerWaalsContact C-N 3.33Å; K646-E648 PolarHBondContact O-N 3.12Å; E648-R654 VanDerWaalsContact CB-NH2 3.31Å; E648-R654 PolarHBondContact O-NH2 2.86Å; E648-I656 HydrophobicContact CG-CD1 4.03Å; E648-I656 HydrophobicContact CG-CG1 4.18Å
649K93.1Very high93.7Very high179 Ų17958.3 Ų58.378%0.77828%0.284SS*.THydrogen-bonded Turntrans-86.4-16.7174.6-60177.8-176.9178.60113.3K646 L647K646-K649 WeakPolarHBondContact O-CB 3.49Å; K646-K649 PolarHBondContact O-N 3.23Å; K646-K649 VanDerWaalsContact O-N 3.15Å; L647-K649 PolarHBondContact O-N 3.27Å
650L92Very high93.6Very high42 Ų4265.4 Ų65.422%0.2232%0.317CS..THydrogen-bonded Turntrans-94.8-21.5-178.3-62.1176.9000112.7F582 E583 W607 L647F582-L650 HydrophobicContact CB-CD1 3.98Å; E583-L650 HydrophobicContact CG-CD1 4.02Å; E583-L650 HydrophobicContact CG-CD2 4.06Å; W607-L650 HydrophobicContact CH2-CB 3.99Å; W607-L650 HydrophobicContact CZ3-CB 4.4Å; L647-L650 WeakPolarHBondContact O-CB 3.19Å; L647-L650 PolarHBondContact O-N 3.4Å
651T92.8Very high93.4Very high7 Ų766.2 Ų66.24%0.04332%0.321CS..  trans-135.2143.8-178.4-174.30000112.2I611 L647 L653 R654 I656I611-T651 HydrophobicContact CD1-CG2 3.96Å; L647-T651 HydrophobicContact CG-CG2 4.37Å; L647-T651 PolarHBondContact O-N 3.18Å; T651-L653 VanDerWaalsContact C-N 3.33Å; T651-L653 HydrophobicContact CG2-CB 4.46Å; T651-L653 PolarHBondContact OG1-N 3.36Å; T651-R654 PolarHBondContact O-NH1 3.22Å; T651-I656 HydrophobicContact CG2-CD1 4.24Å
652D90.3Very high93.4Very high160 Ų16061.7 Ų61.786%0.85630%0.299SS*.  trans-86.8-1.7174.1-62.7-40.2000113R654D652-R654 PolarHBondContact O-N 3.29Å
653L90.8Very high93.4Very high26 Ų2661.8 Ų61.814%0.13630%0.3CS..  trans-63.5121-179.2-73.4-177.8000111.7N604 W607 E608 I611 T651 P657N604-L653 HydrophobicContact CB-CD2 3.89Å; W607-L653 HydrophobicContact CB-CD1 3.51Å; W607-L653 HydrophobicContact CB-CG 4.32Å; E608-L653 HydrophobicContact CB-CD1 4.17Å; I611-L653 HydrophobicContact CD1-CD1 4.25Å; T651-L653 VanDerWaalsContact C-N 3.33Å; T651-L653 HydrophobicContact CG2-CB 4.46Å; T651-L653 PolarHBondContact OG1-N 3.36Å; L653-P657 HydrophobicContact CD1-CG 4.45Å
654R92.5Very high93.3Very high128 Ų12863.4 Ų63.448%0.48331%0.31SS..SBendtrans-138132.8174.5-63.3-62.8-179.1-73.3-7.9110.3E648 T651 D652E648-R654 VanDerWaalsContact CB-NH2 3.31Å; E648-R654 PolarHBondContact O-NH2 2.86Å; T651-R654 PolarHBondContact O-NH1 3.22Å; D652-R654 PolarHBondContact O-N 3.29Å
655P91.1Very high93.2Very high120 Ų12063 Ų6378%0.77931%0.308SS*.SBendcis-67.6161.4-6.231-36.1000112.6P657P655-P657 WeakPolarHBondContact O-CD 3.41Å
656I93.3Very high93.1Very high10 Ų1058 Ų585%0.05128%0.283CS..PPolyproline II helixtrans-67.9123.7178.1-63.5-71.2000109.3I611 L644 L647 E648 T651 D658 K659I611-I656 HydrophobicContact CG2-CG2 3.92Å; L644-I656 HydrophobicContact CD2-CG2 3.99Å; L647-I656 HydrophobicContact CD2-CG2 4.29Å; E648-I656 HydrophobicContact CG-CD1 4.03Å; E648-I656 HydrophobicContact CG-CG1 4.18Å; T651-I656 HydrophobicContact CG2-CD1 4.24Å; I656-D658 PolarHBondContact O-N 2.91Å; I656-K659 HydrophobicContact CB-CB 4.12Å; I656-K659 HydrophobicContact CB-CD 4.46Å; I656-K659 HydrophobicContact CG2-CB 4.21Å; I656-K659 WeakPolarHBondContact O-CB 3.34Å; I656-K659 PolarHBondContact O-N 2.88Å
657P92.5Very high93Very high14 Ų1459.6 Ų59.69%0.09129%0.29CS..THydrogen-bonded Turntrans-57.2133.8-178.2-26.634.5000112.8E608 I611 R612 N615 L653 P655 K659E608-P657 HydrophobicContact CB-CG 4.25Å; E608-P657 HydrophobicContact CG-CB 4.09Å; E608-P657 HydrophobicContact CG-CG 3.84Å; I611-P657 HydrophobicContact CG2-CB 4.25Å; I611-P657 HydrophobicContact CG2-CG 4.4Å; R612-P657 HydrophobicContact CG-CB 3.68Å; N615-P657 PolarHBondContact ND2-O 3.46Å; L653-P657 HydrophobicContact CD1-CG 4.45Å; P655-P657 WeakPolarHBondContact O-CD 3.41Å; P657-K659 PolarHBondContact O-N 3.05Å
658D92.4Very high92.9Very high39 Ų3959.7 Ų59.721%0.20929%0.291CS..THydrogen-bonded Turntrans53.324.8178.2-64.2-15.5000114.7R612 N615 I656 F661 V662R612-D658 HydrophobicContact CG-CB 4.48Å; R612-D658 VanDerWaalsContact CG-OD2 3.29Å; R612-D658 WeakPolarHBondContact CG-OD2 3.21Å; R612-D658 IonicContact CZ-OD1 3.82Å; R612-D658 IonicContact CZ-OD2 3.81Å; R612-D658 IonicContact NH1-OD1 2.91Å; R612-D658 PolarHBondContact NH1-OD1 3.15Å; R612-D658 IonicContact NH1-OD2 2.69Å; R612-D658 PolarHBondContact NH1-OD2 3.12Å; N615-D658 HydrophobicContact CB-CB 4.19Å; I656-D658 PolarHBondContact O-N 2.91Å; D658-F661 HydrophobicContact CB-CB 4.01Å; D658-F661 WeakPolarHBondContact O-CB 3.45Å; D658-F661 PolarHBondContact O-N 2.74Å; D658-V662 PolarHBondContact O-N 3.39Å
659K93.8Very high92.6Very high69 Ų6956.2 Ų56.230%0.328%0.275SS..Hα-helixtrans-59.5-48.9170.9173.9178.8171.9177.20111.3F640 L644 I656 P657 F661 V662 E663F640-K659 HydrophobicContact CE1-CG 4.37Å; F640-K659 HydrophobicContact CZ-CG 4.39Å; L644-K659 HydrophobicContact CD1-CD 4.08Å; L644-K659 HydrophobicContact CD1-CG 4.15Å; L644-K659 HydrophobicContact CD2-CD 4.46Å; L644-K659 HydrophobicContact CD2-CG 4.41Å; I656-K659 HydrophobicContact CB-CB 4.12Å; I656-K659 HydrophobicContact CB-CD 4.46Å; I656-K659 HydrophobicContact CG2-CB 4.21Å; I656-K659 WeakPolarHBondContact O-CB 3.34Å; I656-K659 PolarHBondContact O-N 2.88Å; P657-K659 PolarHBondContact O-N 3.05Å; K659-F661 PolarHBondContact O-N 3.17Å; K659-V662 PolarHBondContact O-N 3.22Å; K659-E663 WeakPolarHBondContact CE-OE1 3.25Å; K659-E663 HydrophobicContact CG-CG 4.39Å; K659-E663 IonicContact NZ-OE1 3.85Å; K659-E663 PolarHBondContact O-N 2.83Å
660E93.1Very high92.3Very high151 Ų15153.1 Ų53.171%0.70626%0.259SS*.Hα-helixtrans-63-30.7-179.5-66.9-176.317500112.3E663 T664E660-E663 PolarHBondContact O-N 2.96Å; E660-T664 WeakPolarHBondContact O-CB 3.45Å; E660-T664 PolarHBondContact O-N 2.78Å; E660-T664 PolarHBondContact O-OG1 2.98Å
661F93.6Very high92.1Very high23 Ų2353.3 Ų53.310%0.10126%0.26CS..Hα-helixtrans-60.4-44.7175.5175.8-102.8000111.6R616 V619 D658 K659 Y665 E685 Y686R616-F661 HydrophobicContact CG-CE1 4.05Å; V619-F661 HydrophobicContact CB-CD1 4.41Å; V619-F661 HydrophobicContact CB-CE1 3.64Å; V619-F661 HydrophobicContact CB-CZ 4.21Å; V619-F661 HydrophobicContact CG1-CE1 3.95Å; V619-F661 HydrophobicContact CG1-CZ 3.99Å; V619-F661 HydrophobicContact CG2-CD1 3.73Å; V619-F661 HydrophobicContact CG2-CE1 3.46Å; V619-F661 VanDerWaalsContact CG2-CE1 3.46Å; V619-F661 HydrophobicContact CG2-CZ 4.27Å; D658-F661 HydrophobicContact CB-CB 4.01Å; D658-F661 WeakPolarHBondContact O-CB 3.45Å; D658-F661 PolarHBondContact O-N 2.74Å; K659-F661 PolarHBondContact O-N 3.17Å; F661-Y665 WeakPolarHBondContact O-CB 3.27Å; F661-Y665 PolarHBondContact O-N 3.35Å; F661-E685 HydrophobicContact CD2-CB 4.44Å; F661-E685 HydrophobicContact CD2-CG 3.83Å; F661-E685 HydrophobicContact CE2-CB 4.33Å; F661-E685 HydrophobicContact CE2-CG 3.96Å; F661-Y686 HydrophobicContact CD2-CD1 4.12Å; F661-Y686 AromaticContact CD2-CE1 3.5Å; F661-Y686 HydrophobicContact CD2-CE1 3.5Å; F661-Y686 VanDerWaalsContact CD2-CE1 3.5Å; F661-Y686 AromaticContact CD2-CZ 3.89Å; F661-Y686 HydrophobicContact CE1-CE1 4.44Å; F661-Y686 AromaticContact CE2-CD1 3.37Å; F661-Y686 HydrophobicContact CE2-CD1 3.37Å; F661-Y686 AromaticContact CE2-CE1 3.22Å; F661-Y686 HydrophobicContact CE2-CE1 3.22Å; F661-Y686 HydrophobicContact CE2-CG 4.24Å; F661-Y686 AromaticContact CE2-CZ 3.99Å; F661-Y686 HydrophobicContact CG-CE1 4.23Å; F661-Y686 AromaticContact CZ-CD1 3.74Å; F661-Y686 HydrophobicContact CZ-CD1 3.74Å; F661-Y686 AromaticContact CZ-CE1 3.74Å; F661-Y686 HydrophobicContact CZ-CE1 3.74Å; F661-Y686 PolarHBondContact O-OH 3.1Å
662V95.3Very high91.8Very high0 Ų056.6 Ų56.60%028%0.28CS..Hα-helixtrans-73.4-46177.3-170.60000111.2N615 V619 Y622 F640 D658 K659 T664 Y665 I666N615-V662 HydrophobicContact CB-CG2 3.54Å; V619-V662 HydrophobicContact CG2-CB 4.25Å; V619-V662 HydrophobicContact CG2-CG1 4.25Å; V619-V662 HydrophobicContact CG2-CG2 4.06Å; Y622-V662 HydrophobicContact CE2-CG1 4.13Å; F640-V662 HydrophobicContact CD1-CB 4.32Å; F640-V662 HydrophobicContact CD1-CG1 4.02Å; F640-V662 HydrophobicContact CD2-CB 4.27Å; F640-V662 HydrophobicContact CD2-CG1 3.73Å; F640-V662 HydrophobicContact CE1-CB 3.82Å; F640-V662 HydrophobicContact CE1-CG1 4.03Å; F640-V662 HydrophobicContact CE2-CB 3.77Å; F640-V662 HydrophobicContact CE2-CG1 3.75Å; F640-V662 HydrophobicContact CE2-CG2 3.83Å; F640-V662 HydrophobicContact CG-CG1 3.87Å; F640-V662 HydrophobicContact CZ-CB 3.52Å; F640-V662 HydrophobicContact CZ-CG1 3.91Å; F640-V662 HydrophobicContact CZ-CG2 3.85Å; D658-V662 PolarHBondContact O-N 3.39Å; K659-V662 PolarHBondContact O-N 3.22Å; V662-T664 VanDerWaalsContact C-N 3.32Å; V662-T664 PolarHBondContact O-N 2.73Å; V662-Y665 PolarHBondContact O-N 3.21Å; V662-I666 HydrophobicContact CG1-CD1 3.99Å; V662-I666 WeakPolarHBondContact O-CG1 3.38Å; V662-I666 PolarHBondContact O-N 2.68Å
663E94.8Very high91.4Very high55 Ų5552.5 Ų52.526%0.25726%0.256SS..Hα-helixtrans-61.2-42.1-178.9-69.3-166.8179.900112.3F640 K659 E660 Y665 I666 K667F640-E663 HydrophobicContact CD1-CG 4.23Å; F640-E663 HydrophobicContact CE1-CG 3.72Å; K659-E663 WeakPolarHBondContact CE-OE1 3.25Å; K659-E663 HydrophobicContact CG-CG 4.39Å; K659-E663 IonicContact NZ-OE1 3.85Å; K659-E663 PolarHBondContact O-N 2.83Å; E660-E663 PolarHBondContact O-N 2.96Å; E663-Y665 VanDerWaalsContact C-N 3.34Å; E663-I666 PolarHBondContact O-N 3.01Å; E663-K667 WeakPolarHBondContact O-CB 3.42Å; E663-K667 WeakPolarHBondContact O-CD 3.45Å; E663-K667 WeakPolarHBondContact O-CG 3.22Å; E663-K667 PolarHBondContact O-N 3.46Å; E663-K667 IonicContact OE2-NZ 3.61Å; E663-K667 PolarHBondContact OE2-NZ 3.31Å
664T94.5Very high91Very high36 Ų3656.7 Ų56.722%0.22128%0.278CS..Hα-helixtrans-66.4-39.5-179.7-61.30000110.5E660 V662 K667 A668 F679 Y686E660-T664 WeakPolarHBondContact O-CB 3.45Å; E660-T664 PolarHBondContact O-N 2.78Å; E660-T664 PolarHBondContact O-OG1 2.98Å; V662-T664 VanDerWaalsContact C-N 3.32Å; V662-T664 PolarHBondContact O-N 2.73Å; T664-K667 PolarHBondContact O-N 2.9Å; T664-A668 WeakPolarHBondContact O-CB 3.24Å; T664-A668 PolarHBondContact O-N 3.17Å; T664-F679 HydrophobicContact CG2-CE2 3.61Å; T664-F679 HydrophobicContact CG2-CZ 4.06Å; T664-Y686 WeakPolarHBondContact CB-OH 3.5Å
665Y94.2Very high90.8Very high0 Ų053.8 Ų53.80%027%0.272CS..Hα-helixtrans-62.7-44.2173.4-165.3-97.1000112.7V619 A623 F661 V662 E663 A668 Y669 Y686 Q690 L694V619-Y665 HydrophobicContact CG1-CD1 3.98Å; V619-Y665 HydrophobicContact CG1-CD2 3.79Å; V619-Y665 HydrophobicContact CG1-CE1 4.24Å; V619-Y665 HydrophobicContact CG1-CE2 4.07Å; V619-Y665 HydrophobicContact CG1-CG 3.75Å; V619-Y665 HydrophobicContact CG2-CG 4.29Å; A623-Y665 WeakPolarHBondContact CA-OH 3.5Å; A623-Y665 WeakPolarHBondContact CB-OH 3.46Å; F661-Y665 WeakPolarHBondContact O-CB 3.27Å; F661-Y665 PolarHBondContact O-N 3.35Å; V662-Y665 PolarHBondContact O-N 3.21Å; E663-Y665 VanDerWaalsContact C-N 3.34Å; Y665-A668 VanDerWaalsContact O-CB 3.3Å; Y665-A668 WeakPolarHBondContact O-CB 3.26Å; Y665-A668 PolarHBondContact O-N 3.31Å; Y665-Y669 HydrophobicContact CD1-CE2 4.13Å; Y665-Y669 AromaticContact CE1-CE2 3.87Å; Y665-Y669 HydrophobicContact CE1-CE2 3.87Å; Y665-Y669 WeakPolarHBondContact O-CD2 3.25Å; Y665-Y686 AromaticContact CD2-CD1 3.62Å; Y665-Y686 HydrophobicContact CD2-CD1 3.62Å; Y665-Y686 AromaticContact CD2-CE1 3.58Å; Y665-Y686 HydrophobicContact CD2-CE1 3.58Å; Y665-Y686 HydrophobicContact CD2-CG 4.34Å; Y665-Y686 HydrophobicContact CE2-CD1 4.25Å; Y665-Y686 HydrophobicContact CG-CE1 4.13Å; Y665-Y686 PolarHBondContact N-OH 3.32Å; Y665-Q690 HydrophobicContact CE2-CB 3.89Å; Y665-Q690 PolarHBondContact OH-O 3.22Å; Y665-L694 HydrophobicContact CD2-CD1 3.9Å; Y665-L694 HydrophobicContact CD2-CD2 4.47Å; Y665-L694 HydrophobicContact CD2-CG 4.39Å; Y665-L694 HydrophobicContact CE1-CD2 4.08Å; Y665-L694 HydrophobicContact CE2-CD1 3.52Å; Y665-L694 HydrophobicContact CE2-CD2 3.99Å; Y665-L694 HydrophobicContact CE2-CG 3.67Å
666I93.2Very high90.6Very high6 Ų648.1 Ų48.13%0.03124%0.235CC..Hα-helixtrans-65.6-43.3176.9-64.1170.6000110.6Y622 M636 Q637 F640 V662 E663 A668 Y669Y622-I666 HydrophobicContact CD2-CG1 4.32Å; Y622-I666 HydrophobicContact CE2-CD1 3.96Å; Y622-I666 HydrophobicContact CE2-CG1 4.16Å; M636-I666 HydrophobicContact CB-CD1 4.37Å; M636-I666 HydrophobicContact CB-CG1 4.5Å; Q637-I666 HydrophobicContact CB-CG2 4.33Å; F640-I666 HydrophobicContact CB-CD1 4.1Å; F640-I666 HydrophobicContact CG-CD1 4.48Å; V662-I666 HydrophobicContact CG1-CD1 3.99Å; V662-I666 WeakPolarHBondContact O-CG1 3.38Å; V662-I666 PolarHBondContact O-N 2.68Å; E663-I666 PolarHBondContact O-N 3.01Å; I666-A668 PolarHBondContact O-N 3.23Å; I666-Y669 WeakPolarHBondContact O-CB 3.38Å; I666-Y669 PolarHBondContact O-N 2.92Å
667K92Very high90.3Very high114 Ų11449.5 Ų49.550%0.49624%0.241SC..Hα-helixtrans-61.4-30175.5-72.7166.6-169161.80111.7E663 T664 Y669 Y670E663-K667 WeakPolarHBondContact O-CB 3.42Å; E663-K667 WeakPolarHBondContact O-CD 3.45Å; E663-K667 WeakPolarHBondContact O-CG 3.22Å; E663-K667 PolarHBondContact O-N 3.46Å; E663-K667 IonicContact OE2-NZ 3.61Å; E663-K667 PolarHBondContact OE2-NZ 3.31Å; T664-K667 PolarHBondContact O-N 2.9Å; K667-Y669 PolarHBondContact O-N 2.96Å; K667-Y670 PolarHBondContact O-N 3.18Å
668A90.8Very high90.1Very high1 Ų154.5 Ų54.51%0.00826%0.264CS..Hα-helixtrans-61.4-24.1178.100000113.4T664 Y665 I666 Y670 L671 M676 F679 L694T664-A668 WeakPolarHBondContact O-CB 3.24Å; T664-A668 PolarHBondContact O-N 3.17Å; Y665-A668 VanDerWaalsContact O-CB 3.3Å; Y665-A668 WeakPolarHBondContact O-CB 3.26Å; Y665-A668 PolarHBondContact O-N 3.31Å; I666-A668 PolarHBondContact O-N 3.23Å; A668-Y670 PolarHBondContact O-N 3.3Å; A668-Y670 VanDerWaalsContact O-N 3.17Å; A668-L671 HydrophobicContact CB-CD1 3.99Å; A668-L671 PolarHBondContact O-N 3.25Å; A668-M676 WeakPolarHBondContact O-CE 3.5Å; A668-F679 HydrophobicContact CB-CE1 4.17Å; A668-F679 HydrophobicContact CB-CE2 3.97Å; A668-F679 HydrophobicContact CB-CZ 3.79Å; A668-L694 HydrophobicContact CB-CD1 3.72Å; A668-L694 HydrophobicContact CB-CD2 4.02Å; A668-L694 HydrophobicContact CB-CG 4.49Å
669Y87.9Confident89.9Confident0 Ų053.4 Ų53.40%026%0.257CS..THydrogen-bonded Turntrans-65.9-11.2172.9-76.5-92.8000113.9Y622 C628 R633 M636 Y665 I666 K667 N693 L694 V697 C698Y622-Y669 PolarHBondContact O-OH 2.85Å; C628-Y669 HydrophobicContact CB-CE1 4.43Å; R633-Y669 HydrophobicContact CG-CD1 4.27Å; R633-Y669 HydrophobicContact CG-CG 4.27Å; R633-Y669 PolarHBondContact NH1-O 3.17Å; M636-Y669 HydrophobicContact SD-CE2 4.3Å; Y665-Y669 HydrophobicContact CD1-CE2 4.13Å; Y665-Y669 AromaticContact CE1-CE2 3.87Å; Y665-Y669 HydrophobicContact CE1-CE2 3.87Å; Y665-Y669 WeakPolarHBondContact O-CD2 3.25Å; I666-Y669 WeakPolarHBondContact O-CB 3.38Å; I666-Y669 PolarHBondContact O-N 2.92Å; K667-Y669 PolarHBondContact O-N 2.96Å; Y669-N693 PolarHBondContact OH-OD1 3.42Å; Y669-L694 HydrophobicContact CD2-CD2 3.84Å; Y669-L694 HydrophobicContact CE1-CD2 4.41Å; Y669-L694 HydrophobicContact CE2-CD2 3.65Å; Y669-L694 HydrophobicContact CG-CD2 4.31Å; Y669-V697 HydrophobicContact CE1-CB 4.35Å; Y669-V697 HydrophobicContact CE1-CG1 3.99Å; Y669-C698 HydrophobicContact CD1-CB 4.48Å; Y669-C698 PolarHBondContact O-SG 2.99Å
670Y87.6Confident89.6Confident115 Ų11550.2 Ų50.245%0.45124%0.243SC..THydrogen-bonded Turntrans-106.33.9-179.6-60.8-88.7000113.1R633 K667 A668R633-Y670 HydrophobicContact CB-CE2 4.23Å; R633-Y670 VanDerWaalsContact CB-OH 3.23Å; R633-Y670 WeakPolarHBondContact CB-OH 3.39Å; K667-Y670 PolarHBondContact O-N 3.18Å; A668-Y670 PolarHBondContact O-N 3.3Å; A668-Y670 VanDerWaalsContact O-N 3.17Å
671L88.2Confident89.2Confident46 Ų4648.5 Ų48.524%0.24123%0.233CC..  trans-75.1150.5-176.4-64.7176.6000112.8A668 D675 M676 F679A668-L671 HydrophobicContact CB-CD1 3.99Å; A668-L671 PolarHBondContact O-N 3.25Å; L671-D675 HydrophobicContact CB-CB 4.2Å; L671-D675 HydrophobicContact CD2-CB 3.96Å; L671-M676 HydrophobicContact CB-CE 4.12Å; L671-M676 HydrophobicContact CD1-CE 4.33Å; L671-F679 HydrophobicContact CD1-CB 3.87Å; L671-F679 HydrophobicContact CD1-CD2 3.72Å; L671-F679 HydrophobicContact CD1-CE2 4.45Å; L671-F679 HydrophobicContact CD1-CG 3.85Å
672T86.2Confident88.9Confident75 Ų7553.1 Ų53.146%0.4626%0.259SS..  trans-80.6171.8170.274.10000111.4N674 D675 M676T672-N674 VanDerWaalsContact C-N 3.33Å; T672-N674 PolarHBondContact O-N 2.92Å; T672-D675 PolarHBondContact O-N 3.49Å; T672-D675 VanDerWaalsContact OG1-CG 3.26Å; T672-D675 PolarHBondContact OG1-OD2 3.3Å; T672-M676 WeakPolarHBondContact O-CB 3.45Å; T672-M676 PolarHBondContact O-N 3.18Å
673E81.4Confident88.5Confident75 Ų7555.3 Ų55.335%0.3527%0.269SS..Hα-helixtrans-55.8-45.2177.1-177.1-177.6161.900112.7M676 E677 I703 A707E673-M676 PolarHBondContact O-N 3.3Å; E673-E677 PolarHBondContact O-N 2.8Å; E673-I703 HydrophobicContact CB-CG2 4.41Å; E673-A707 WeakPolarHBondContact OE1-CB 3.4Å
674N83.1Confident87.9Confident113 Ų11361.2 Ų61.260%0.60429%0.289SS*.Hα-helixtrans-67.7-41.4-177.9-69.5-31.5000111.6T672 M676 E677 Q678T672-N674 VanDerWaalsContact C-N 3.33Å; T672-N674 PolarHBondContact O-N 2.92Å; N674-M676 VanDerWaalsContact C-N 3.34Å; N674-E677 PolarHBondContact O-N 3.47Å; N674-Q678 PolarHBondContact O-N 3.3Å
675D88.2Confident87.4Confident67 Ų6764.3 Ų64.336%0.35830%0.301SS..Hα-helixtrans-71-32.9179.9-53.4-41.2000111.2L671 T672 Q678 F679L671-D675 HydrophobicContact CB-CB 4.2Å; L671-D675 HydrophobicContact CD2-CB 3.96Å; T672-D675 PolarHBondContact O-N 3.49Å; T672-D675 VanDerWaalsContact OG1-CG 3.26Å; T672-D675 PolarHBondContact OG1-OD2 3.3Å; D675-Q678 PolarHBondContact O-N 2.99Å; D675-F679 VanDerWaalsContact O-CB 3.31Å; D675-F679 WeakPolarHBondContact O-CB 3.23Å; D675-F679 PolarHBondContact O-N 3.39Å
676M87.5Confident87.2Confident1 Ų164.8 Ų64.81%0.00530%0.303CS..Hα-helixtrans-65.1-39.3174.8-171.564.870.300111.9A668 L671 T672 E673 N674 Q678 F679 I680 L694 V695 C698 L699 L711A668-M676 WeakPolarHBondContact O-CE 3.5Å; L671-M676 HydrophobicContact CB-CE 4.12Å; L671-M676 HydrophobicContact CD1-CE 4.33Å; T672-M676 WeakPolarHBondContact O-CB 3.45Å; T672-M676 PolarHBondContact O-N 3.18Å; E673-M676 PolarHBondContact O-N 3.3Å; N674-M676 VanDerWaalsContact C-N 3.34Å; M676-Q678 VanDerWaalsContact C-N 3.3Å; M676-Q678 PolarHBondContact O-N 3.12Å; M676-F679 PolarHBondContact O-N 3.41Å; M676-F679 HydrophobicContact SD-CD1 4.47Å; M676-I680 HydrophobicContact CG-CD1 4.02Å; M676-I680 WeakPolarHBondContact O-CB 3.47Å; M676-I680 WeakPolarHBondContact O-CD1 3.31Å; M676-I680 VanDerWaalsContact O-CG1 3.28Å; M676-I680 WeakPolarHBondContact O-CG1 3.15Å; M676-I680 PolarHBondContact O-N 3.17Å; M676-L694 HydrophobicContact CE-CB 4.21Å; M676-L694 HydrophobicContact SD-CB 4.34Å; M676-V695 HydrophobicContact CG-CG2 4.27Å; M676-C698 HydrophobicContact CE-CB 4.34Å; M676-L699 HydrophobicContact CB-CD1 3.84Å; M676-L699 HydrophobicContact CE-CD1 4.3Å; M676-L699 HydrophobicContact CG-CD1 3.8Å; M676-L711 HydrophobicContact CG-CD1 4.33Å
677E85.9Confident86.9Confident39 Ų3966.8 Ų66.818%0.18232%0.318CS..Hα-helixtrans-62.9-38.5174.7-166.7-178.7149.300111.7E673 N674 K681 K710 L711E673-E677 PolarHBondContact O-N 2.8Å; N674-E677 PolarHBondContact O-N 3.47Å; E677-K681 WeakPolarHBondContact O-CG 3.33Å; E677-K681 PolarHBondContact O-N 3.19Å; E677-K681 IonicContact OE1-NZ 3.86Å; E677-K681 PolarHBondContact OE1-NZ 3Å; E677-K710 IonicContact OE1-NZ 2.76Å; E677-K710 IonicContact OE2-NZ 3.74Å; E677-K710 PolarHBondContact OE2-NZ 2.88Å; E677-L711 HydrophobicContact CB-CD2 3.76Å; E677-L711 HydrophobicContact CG-CD2 4.15Å
678Q87.6Confident86.7Confident120 Ų12064.8 Ų64.856%0.56131%0.311SS*.Hα-helixtrans-70.4-40.1174.7-65.9-176.86.600111.9N674 D675 M676 I680 K681 N682N674-Q678 PolarHBondContact O-N 3.3Å; D675-Q678 PolarHBondContact O-N 2.99Å; M676-Q678 VanDerWaalsContact C-N 3.3Å; M676-Q678 PolarHBondContact O-N 3.12Å; Q678-I680 PolarHBondContact O-N 2.87Å; Q678-K681 PolarHBondContact O-N 3.01Å; Q678-N682 WeakPolarHBondContact O-CB 3.42Å; Q678-N682 VanDerWaalsContact O-CG 3.29Å; Q678-N682 PolarHBondContact O-N 3.27Å; Q678-N682 PolarHBondContact O-ND2 2.82Å
679F89.5Confident86.7Confident16 Ų1669.7 Ų69.77%0.0733%0.332CS..Hα-helixtrans-58.3-49.7177.9-174.6-89.1000111.3T664 A668 L671 D675 M676 K681 N682 H683 Y686 L691 L694T664-F679 HydrophobicContact CG2-CE2 3.61Å; T664-F679 HydrophobicContact CG2-CZ 4.06Å; A668-F679 HydrophobicContact CB-CE1 4.17Å; A668-F679 HydrophobicContact CB-CE2 3.97Å; A668-F679 HydrophobicContact CB-CZ 3.79Å; L671-F679 HydrophobicContact CD1-CB 3.87Å; L671-F679 HydrophobicContact CD1-CD2 3.72Å; L671-F679 HydrophobicContact CD1-CE2 4.45Å; L671-F679 HydrophobicContact CD1-CG 3.85Å; D675-F679 VanDerWaalsContact O-CB 3.31Å; D675-F679 WeakPolarHBondContact O-CB 3.23Å; D675-F679 PolarHBondContact O-N 3.39Å; M676-F679 PolarHBondContact O-N 3.41Å; M676-F679 HydrophobicContact SD-CD1 4.47Å; F679-K681 VanDerWaalsContact C-N 3.26Å; F679-K681 PolarHBondContact O-N 2.93Å; F679-N682 PolarHBondContact O-N 3.44Å; F679-H683 AromaticContact CD2-CD2 3.27Å; F679-H683 WeakPolarHBondContact CD2-CD2 3.32Å; F679-H683 AromaticContact CD2-NE2 3.63Å; F679-H683 HydrophobicContact CE1-CB 4.23Å; F679-H683 AromaticContact CE2-CD2 3.38Å; F679-H683 WeakPolarHBondContact CE2-CD2 3.48Å; F679-H683 AromaticContact CE2-CG 3.91Å; F679-H683 AromaticContact CE2-NE2 3.6Å; F679-H683 AromaticContact CG-CD2 3.72Å; F679-H683 HydrophobicContact CZ-CB 4.29Å; F679-H683 AromaticContact CZ-CD2 3.89Å; F679-H683 AromaticContact CZ-CG 4Å; F679-H683 WeakPolarHBondContact O-CB 3.4Å; F679-H683 PolarHBondContact O-CD2 3.49Å; F679-H683 PolarHBondContact O-N 2.85Å; F679-Y686 HydrophobicContact CE1-CD2 4.1Å; F679-Y686 HydrophobicContact CE1-CE2 4.09Å; F679-Y686 HydrophobicContact CZ-CD2 4.13Å; F679-Y686 AromaticContact CZ-CE2 3.63Å; F679-Y686 HydrophobicContact CZ-CE2 3.63Å; F679-L691 HydrophobicContact CD1-CD2 4.19Å; F679-L691 HydrophobicContact CE1-CD2 3.9Å; F679-L694 HydrophobicContact CE1-CD1 3.93Å
680I87Confident86.8Confident2 Ų270.5 Ų70.51%0.0134%0.336CS..Hα-helixtrans-57.4-39.2177.3-72.3164.4000111.3M676 Q678 V695 L711 I715 I718M676-I680 HydrophobicContact CG-CD1 4.02Å; M676-I680 WeakPolarHBondContact O-CB 3.47Å; M676-I680 WeakPolarHBondContact O-CD1 3.31Å; M676-I680 VanDerWaalsContact O-CG1 3.28Å; M676-I680 WeakPolarHBondContact O-CG1 3.15Å; M676-I680 PolarHBondContact O-N 3.17Å; Q678-I680 PolarHBondContact O-N 2.87Å; I680-V695 HydrophobicContact CD1-CG2 3.89Å; I680-L711 HydrophobicContact CD1-CB 4.4Å; I680-L711 HydrophobicContact CD1-CD2 4.22Å; I680-I715 HydrophobicContact CD1-CD1 3.97Å; I680-I715 HydrophobicContact CD1-CG1 3.88Å; I680-I715 HydrophobicContact CG1-CD1 4.41Å; I680-I715 HydrophobicContact CG1-CG1 4.11Å; I680-I715 HydrophobicContact CG2-CG1 3.69Å; I680-I718 HydrophobicContact CG2-CD1 3.49Å; I680-I718 VanDerWaalsContact CG2-CD1 3.49Å; I680-I718 WeakPolarHBondContact O-CD1 3.38Å
681K85.4Confident86.9Confident114 Ų11465.2 Ų65.250%0.49632%0.316SS..Hα-helixtrans-72.8-34.3179.3-71.2173.4-171.6167.50113.4E677 Q678 F679E677-K681 WeakPolarHBondContact O-CG 3.33Å; E677-K681 PolarHBondContact O-N 3.19Å; E677-K681 IonicContact OE1-NZ 3.86Å; E677-K681 PolarHBondContact OE1-NZ 3Å; Q678-K681 PolarHBondContact O-N 3.01Å; F679-K681 VanDerWaalsContact C-N 3.26Å; F679-K681 PolarHBondContact O-N 2.93Å
682N87.2Confident87Confident120 Ų12064.2 Ų64.264%0.64231%0.314SS*.Hα-helixtrans-93.1-28.2-170.9-67.7-13.9000113.6Q678 F679Q678-N682 WeakPolarHBondContact O-CB 3.42Å; Q678-N682 VanDerWaalsContact O-CG 3.29Å; Q678-N682 PolarHBondContact O-N 3.27Å; Q678-N682 PolarHBondContact O-ND2 2.82Å; F679-N682 PolarHBondContact O-N 3.44Å
683H85.6Confident87.2Confident46 Ų4661.5 Ų61.521%0.21330%0.297CS..  trans-10498.6-175.9-68.1-82.2000111.9F679 E685 Y686F679-H683 AromaticContact CD2-CD2 3.27Å; F679-H683 WeakPolarHBondContact CD2-CD2 3.32Å; F679-H683 AromaticContact CD2-NE2 3.63Å; F679-H683 HydrophobicContact CE1-CB 4.23Å; F679-H683 AromaticContact CE2-CD2 3.38Å; F679-H683 WeakPolarHBondContact CE2-CD2 3.48Å; F679-H683 AromaticContact CE2-CG 3.91Å; F679-H683 AromaticContact CE2-NE2 3.6Å; F679-H683 AromaticContact CG-CD2 3.72Å; F679-H683 HydrophobicContact CZ-CB 4.29Å; F679-H683 AromaticContact CZ-CD2 3.89Å; F679-H683 AromaticContact CZ-CG 4Å; F679-H683 WeakPolarHBondContact O-CB 3.4Å; F679-H683 PolarHBondContact O-CD2 3.49Å; F679-H683 PolarHBondContact O-N 2.85Å; H683-E685 VanDerWaalsContact C-OE2 3.26Å; H683-E685 WeakPolarHBondContact CA-OE2 3.44Å; H683-E685 IonicContact CE1-OE1 2.68Å; H683-E685 IonicContact CG-OE1 2.74Å; H683-E685 IonicContact ND1-OE1 2.71Å; H683-E685 PolarHBondContact ND1-OE1 2.84Å; H683-E685 IonicContact ND1-OE2 3.78Å; H683-Y686 HydrophobicContact CB-CD2 3.74Å; H683-Y686 HydrophobicContact CB-CE2 3.79Å
684R83.1Confident87.6Confident180 Ų18058 Ų5868%0.67928%0.28SS*.  trans-93.6-6.2-179.6-65.6-172.3173.7-147.9-10.2113.8Y686R684-Y686 VanDerWaalsContact C-N 3.34Å
685E84.8Confident87.8Confident100 Ų10052.6 Ų52.647%0.46725%0.251SS..SBendtrans-77.7-17.1-178.663.8-87-155.700113.6F661 H683F661-E685 HydrophobicContact CD2-CB 4.44Å; F661-E685 HydrophobicContact CD2-CG 3.83Å; F661-E685 HydrophobicContact CE2-CB 4.33Å; F661-E685 HydrophobicContact CE2-CG 3.96Å; H683-E685 VanDerWaalsContact C-OE2 3.26Å; H683-E685 WeakPolarHBondContact CA-OE2 3.44Å; H683-E685 IonicContact CE1-OE1 2.68Å; H683-E685 IonicContact CG-OE1 2.74Å; H683-E685 IonicContact ND1-OE1 2.71Å; H683-E685 PolarHBondContact ND1-OE1 2.84Å; H683-E685 IonicContact ND1-OE2 3.78Å
686Y88.9Confident87.7Confident10 Ų1052.1 Ų52.14%0.03925%0.249CC..SBendtrans-93.4145.2176.7-56.2-73.8000111.7V619 F661 T664 Y665 F679 H683 R684 L691V619-Y686 HydrophobicContact CG1-CD1 4.22Å; V619-Y686 HydrophobicContact CG1-CE1 4.34Å; F661-Y686 HydrophobicContact CD2-CD1 4.12Å; F661-Y686 AromaticContact CD2-CE1 3.5Å; F661-Y686 HydrophobicContact CD2-CE1 3.5Å; F661-Y686 VanDerWaalsContact CD2-CE1 3.5Å; F661-Y686 AromaticContact CD2-CZ 3.89Å; F661-Y686 HydrophobicContact CE1-CE1 4.44Å; F661-Y686 AromaticContact CE2-CD1 3.37Å; F661-Y686 HydrophobicContact CE2-CD1 3.37Å; F661-Y686 AromaticContact CE2-CE1 3.22Å; F661-Y686 HydrophobicContact CE2-CE1 3.22Å; F661-Y686 HydrophobicContact CE2-CG 4.24Å; F661-Y686 AromaticContact CE2-CZ 3.99Å; F661-Y686 HydrophobicContact CG-CE1 4.23Å; F661-Y686 AromaticContact CZ-CD1 3.74Å; F661-Y686 HydrophobicContact CZ-CD1 3.74Å; F661-Y686 AromaticContact CZ-CE1 3.74Å; F661-Y686 HydrophobicContact CZ-CE1 3.74Å; F661-Y686 PolarHBondContact O-OH 3.1Å; T664-Y686 WeakPolarHBondContact CB-OH 3.5Å; Y665-Y686 AromaticContact CD2-CD1 3.62Å; Y665-Y686 HydrophobicContact CD2-CD1 3.62Å; Y665-Y686 AromaticContact CD2-CE1 3.58Å; Y665-Y686 HydrophobicContact CD2-CE1 3.58Å; Y665-Y686 HydrophobicContact CD2-CG 4.34Å; Y665-Y686 HydrophobicContact CE2-CD1 4.25Å; Y665-Y686 HydrophobicContact CG-CE1 4.13Å; Y665-Y686 PolarHBondContact N-OH 3.32Å; F679-Y686 HydrophobicContact CE1-CD2 4.1Å; F679-Y686 HydrophobicContact CE1-CE2 4.09Å; F679-Y686 HydrophobicContact CZ-CD2 4.13Å; F679-Y686 AromaticContact CZ-CE2 3.63Å; F679-Y686 HydrophobicContact CZ-CE2 3.63Å; H683-Y686 HydrophobicContact CB-CD2 3.74Å; H683-Y686 HydrophobicContact CB-CE2 3.79Å; R684-Y686 VanDerWaalsContact C-N 3.34Å; Y686-L691 HydrophobicContact CD2-CD2 4.28Å; Y686-L691 HydrophobicContact CG-CD2 4.42Å
687S87.7Confident87.6Confident49 Ų4952.9 Ų52.934%0.34325%0.253SS..  trans-71157.8176.975.70000112.3K689 Q690 L691S687-K689 PolarHBondContact O-N 3.47Å; S687-K689 VanDerWaalsContact O-N 3.17Å; S687-Q690 WeakPolarHBondContact O-CB 3.16Å; S687-Q690 PolarHBondContact O-N 3.08Å; S687-Q690 VanDerWaalsContact OG-CG 3.25Å; S687-Q690 WeakPolarHBondContact OG-CG 3.43Å; S687-Q690 PolarHBondContact OG-N 3.02Å; S687-L691 PolarHBondContact O-N 3.49Å
688M87.8Confident87Confident72 Ų7251.3 Ų51.336%0.35525%0.246SC..Hα-helixtrans-54-37.4173.9-66-119.3-7100111.8A692 I715 D719M688-A692 WeakPolarHBondContact O-CB 3.47Å; M688-A692 PolarHBondContact O-N 3.37Å; M688-I715 HydrophobicContact CB-CG2 4.07Å; M688-I715 HydrophobicContact CG-CG2 4.13Å; M688-I715 HydrophobicContact SD-CG2 3.55Å; M688-I715 VanDerWaalsContact SD-CG2 3.55Å; M688-D719 HydrophobicContact SD-CB 4.41Å
689K90Very high86.2Confident103 Ų10346 Ų4645%0.44822%0.222SC..Hα-helixtrans-63.1-45.8175.3-178.3-171.3172.2-165.30111.7E620 N624 S687 A692 N693E620-K689 IonicContact OE1-NZ 3.8Å; E620-K689 PolarHBondContact OE1-NZ 3.22Å; N624-K689 VanDerWaalsContact OD1-CE 3.22Å; N624-K689 WeakPolarHBondContact OD1-CE 3.35Å; N624-K689 PolarHBondContact OD1-NZ 3.46Å; S687-K689 PolarHBondContact O-N 3.47Å; S687-K689 VanDerWaalsContact O-N 3.17Å; K689-A692 PolarHBondContact O-N 3.14Å; K689-N693 PolarHBondContact O-N 3Å
690Q90.9Very high85Confident17 Ų1746.6 Ų46.68%0.07923%0.233CC..Hα-helixtrans-64.9-43.1179.8-72.6164.6-100111.7V619 E620 A623 Y665 S687 N693 L694V619-Q690 HydrophobicContact CG1-CG 4.32Å; E620-Q690 PolarHBondContact OE2-NE2 3.48Å; A623-Q690 HydrophobicContact CB-CB 4.19Å; A623-Q690 HydrophobicContact CB-CG 3.61Å; Y665-Q690 HydrophobicContact CE2-CB 3.89Å; Y665-Q690 PolarHBondContact OH-O 3.22Å; S687-Q690 WeakPolarHBondContact O-CB 3.16Å; S687-Q690 PolarHBondContact O-N 3.08Å; S687-Q690 VanDerWaalsContact OG-CG 3.25Å; S687-Q690 WeakPolarHBondContact OG-CG 3.43Å; S687-Q690 PolarHBondContact OG-N 3.02Å; Q690-N693 WeakPolarHBondContact O-CB 2.95Å; Q690-N693 PolarHBondContact O-N 3.08Å; Q690-L694 PolarHBondContact O-N 3.02Å
691L90Very high83.9Confident5 Ų551 Ų513%0.02626%0.264CS..Hα-helixtrans-67-42.9175.5-65177.1000112F679 Y686 S687 N693 L694 V695 I715 I718F679-L691 HydrophobicContact CD1-CD2 4.19Å; F679-L691 HydrophobicContact CE1-CD2 3.9Å; Y686-L691 HydrophobicContact CD2-CD2 4.28Å; Y686-L691 HydrophobicContact CG-CD2 4.42Å; S687-L691 PolarHBondContact O-N 3.49Å; L691-N693 VanDerWaalsContact C-N 3.28Å; L691-N693 PolarHBondContact O-N 2.93Å; L691-L694 PolarHBondContact O-N 3.28Å; L691-V695 PolarHBondContact O-N 3.36Å; L691-V695 VanDerWaalsContact O-N 3.14Å; L691-I715 HydrophobicContact CB-CD1 3.76Å; L691-I715 HydrophobicContact CB-CG1 4.12Å; L691-I715 HydrophobicContact CB-CG2 4.42Å; L691-I718 HydrophobicContact CD1-CD1 4.32Å
692A89.1Confident83Confident24 Ų2453 Ų5320%0.19827%0.274CS..Hα-helixtrans-63.5-35.3176.500000111.8M688 K689 V695 N696 L712M688-A692 WeakPolarHBondContact O-CB 3.47Å; M688-A692 PolarHBondContact O-N 3.37Å; K689-A692 PolarHBondContact O-N 3.14Å; A692-V695 PolarHBondContact O-N 3.45Å; A692-N696 WeakPolarHBondContact O-CB 3.33Å; A692-N696 PolarHBondContact O-N 2.7Å; A692-N696 PolarHBondContact O-ND2 3.2Å; A692-L712 HydrophobicContact CB-CD2 4.07Å
693N91.1Very high82.5Confident19 Ų1948.6 Ų48.610%0.10225%0.251CS..Hα-helixtrans-59.6-49.7173.1-176.2-86.5000111.2A623 V625 Y669 K689 Q690 L691 V695 N696 V697A623-N693 HydrophobicContact CB-CB 4.33Å; A623-N693 WeakPolarHBondContact O-CB 3.46Å; A623-N693 PolarHBondContact O-ND2 3.18Å; V625-N693 PolarHBondContact O-ND2 3.21Å; Y669-N693 PolarHBondContact OH-OD1 3.42Å; K689-N693 PolarHBondContact O-N 3Å; Q690-N693 WeakPolarHBondContact O-CB 2.95Å; Q690-N693 PolarHBondContact O-N 3.08Å; L691-N693 VanDerWaalsContact C-N 3.28Å; L691-N693 PolarHBondContact O-N 2.93Å; N693-V695 VanDerWaalsContact C-N 3.34Å; N693-V695 PolarHBondContact O-N 3.32Å; N693-N696 PolarHBondContact O-N 2.92Å; N693-N696 VanDerWaalsContact O-N 3.08Å; N693-V697 WeakPolarHBondContact O-CB 3.46Å; N693-V697 WeakPolarHBondContact O-CG2 3.45Å; N693-V697 PolarHBondContact O-N 2.66Å
694L89.4Confident82.2Confident0 Ų052.6 Ų52.60%027%0.274CS..Hα-helixtrans-55.1-49.4178.5-69172.7000110.9Y665 A668 Y669 M676 F679 Q690 L691 N696 V697 C698Y665-L694 HydrophobicContact CD2-CD1 3.9Å; Y665-L694 HydrophobicContact CD2-CD2 4.47Å; Y665-L694 HydrophobicContact CD2-CG 4.39Å; Y665-L694 HydrophobicContact CE1-CD2 4.08Å; Y665-L694 HydrophobicContact CE2-CD1 3.52Å; Y665-L694 HydrophobicContact CE2-CD2 3.99Å; Y665-L694 HydrophobicContact CE2-CG 3.67Å; A668-L694 HydrophobicContact CB-CD1 3.72Å; A668-L694 HydrophobicContact CB-CD2 4.02Å; A668-L694 HydrophobicContact CB-CG 4.49Å; Y669-L694 HydrophobicContact CD2-CD2 3.84Å; Y669-L694 HydrophobicContact CE1-CD2 4.41Å; Y669-L694 HydrophobicContact CE2-CD2 3.65Å; Y669-L694 HydrophobicContact CG-CD2 4.31Å; M676-L694 HydrophobicContact CE-CB 4.21Å; M676-L694 HydrophobicContact SD-CB 4.34Å; F679-L694 HydrophobicContact CE1-CD1 3.93Å; Q690-L694 PolarHBondContact O-N 3.02Å; L691-L694 PolarHBondContact O-N 3.28Å; L694-N696 VanDerWaalsContact C-N 3.31Å; L694-N696 PolarHBondContact O-N 3.38Å; L694-V697 PolarHBondContact O-N 3.45Å; L694-C698 WeakPolarHBondContact O-CA 3.28Å; L694-C698 WeakPolarHBondContact O-CB 3.48Å; L694-C698 PolarHBondContact O-N 2.94Å
695V87.1Confident82.1Confident0 Ų051.3 Ų51.30%027%0.273CS..Iπ-helixtrans-59.5-41.8177.9176.10000111.9M676 I680 L691 A692 N693 L699 G700 R708 L711 L712 I715M676-V695 HydrophobicContact CG-CG2 4.27Å; I680-V695 HydrophobicContact CD1-CG2 3.89Å; L691-V695 PolarHBondContact O-N 3.36Å; L691-V695 VanDerWaalsContact O-N 3.14Å; A692-V695 PolarHBondContact O-N 3.45Å; N693-V695 VanDerWaalsContact C-N 3.34Å; N693-V695 PolarHBondContact O-N 3.32Å; V695-L699 PolarHBondContact O-N 3.4Å; V695-G700 PolarHBondContact O-N 3.39Å; V695-R708 HydrophobicContact CG1-CG 4.1Å; V695-L711 HydrophobicContact CG1-CB 4.01Å; V695-L711 HydrophobicContact CG1-CD1 4.25Å; V695-L711 HydrophobicContact CG2-CB 4.12Å; V695-L712 HydrophobicContact CB-CD2 4.34Å; V695-L712 HydrophobicContact CG1-CD2 4.21Å; V695-L712 HydrophobicContact CG1-CG 4.26Å; V695-I715 HydrophobicContact CG2-CD1 3.95Å
696N86.8Confident82Confident57 Ų5754.7 Ų54.731%0.30529%0.286SS..Iπ-helixtrans-75.6-36.5-175.2-70.9-36.7000113.6A692 N693 L694 G700 R708A692-N696 WeakPolarHBondContact O-CB 3.33Å; A692-N696 PolarHBondContact O-N 2.7Å; A692-N696 PolarHBondContact O-ND2 3.2Å; N693-N696 PolarHBondContact O-N 2.92Å; N693-N696 VanDerWaalsContact O-N 3.08Å; L694-N696 VanDerWaalsContact C-N 3.31Å; L694-N696 PolarHBondContact O-N 3.38Å; N696-G700 WeakPolarHBondContact O-CA 3.47Å; N696-R708 PolarHBondContact OD1-NE 3.39Å; N696-R708 PolarHBondContact OD1-NH2 3.18Å
697V83.8Confident81.7Confident17 Ų1754.9 Ų54.910%0.10329%0.29CS..Iπ-helixtrans-96.9-38.5-174.1-178.20000112.1V625 C628 Y669 N693 L694V625-V697 WeakPolarHBondContact O-CG2 3.42Å; C628-V697 HydrophobicContact CB-CG1 3.63Å; Y669-V697 HydrophobicContact CE1-CB 4.35Å; Y669-V697 HydrophobicContact CE1-CG1 3.99Å; N693-V697 WeakPolarHBondContact O-CB 3.46Å; N693-V697 WeakPolarHBondContact O-CG2 3.45Å; N693-V697 PolarHBondContact O-N 2.66Å; L694-V697 PolarHBondContact O-N 3.45Å
698C74.6Confident81.4Confident6 Ų657 Ų574%0.04129%0.29CS..Iπ-helixtrans-73.9-49.6179.9-178.90000111.6Y669 M676 L694Y669-C698 HydrophobicContact CD1-CB 4.48Å; Y669-C698 PolarHBondContact O-SG 2.99Å; M676-C698 HydrophobicContact CE-CB 4.34Å; L694-C698 WeakPolarHBondContact O-CA 3.28Å; L694-C698 WeakPolarHBondContact O-CB 3.48Å; L694-C698 PolarHBondContact O-N 2.94Å
699L71.4Confident81.3Confident9 Ų959.3 Ų59.35%0.04730%0.3CS..Iπ-helixtrans-104.7-16.9-169.5-62.5175.3000113.1M676 V695 S701 H702 I703 L711M676-L699 HydrophobicContact CB-CD1 3.84Å; M676-L699 HydrophobicContact CE-CD1 4.3Å; M676-L699 HydrophobicContact CG-CD1 3.8Å; V695-L699 PolarHBondContact O-N 3.4Å; L699-S701 PolarHBondContact O-N 2.94Å; L699-H702 PolarHBondContact O-N 2.93Å; L699-I703 HydrophobicContact CB-CB 4.48Å; L699-I703 HydrophobicContact CB-CD1 3.65Å; L699-I703 HydrophobicContact CB-CG1 3.91Å; L699-I703 HydrophobicContact CB-CG2 3.85Å; L699-I703 HydrophobicContact CD1-CD1 4.2Å; L699-I703 HydrophobicContact CD2-CG2 4.08Å; L699-I703 HydrophobicContact CG-CG2 4.38Å; L699-I703 WeakPolarHBondContact O-CG1 3.49Å; L699-I703 PolarHBondContact O-N 3Å; L699-L711 HydrophobicContact CD1-CD1 3.77Å
700G64.4Low81.1Confident29 Ų2959.8 Ų59.830%0.29930%0.302SS..THydrogen-bonded Turntrans-56.6-25.1-16900000116.4V695 N696V695-G700 PolarHBondContact O-N 3.39Å; N696-G700 WeakPolarHBondContact O-CA 3.47Å
701S62.8Low80.9Confident94 Ų9459 Ų5966%0.65730%0.299SS*.THydrogen-bonded Turntrans-92.5-18174.247.20000114.3L699L699-S701 PolarHBondContact O-N 2.94Å
702H66.6Low80.7Confident155 Ų15561.1 Ų61.172%0.71831%0.31SS*.THydrogen-bonded Turntrans-111.5-15-169.9-63.9-72.3000114.3L699L699-H702 PolarHBondContact O-N 2.93Å
703I77.3Confident80.6Confident28 Ų2862.3 Ų62.314%0.14432%0.319CS..SBendtrans-114.2152-178.572.9173.6000113E673 L699 A707 R708 L711E673-I703 HydrophobicContact CB-CG2 4.41Å; L699-I703 HydrophobicContact CB-CB 4.48Å; L699-I703 HydrophobicContact CB-CD1 3.65Å; L699-I703 HydrophobicContact CB-CG1 3.91Å; L699-I703 HydrophobicContact CB-CG2 3.85Å; L699-I703 HydrophobicContact CD1-CD1 4.2Å; L699-I703 HydrophobicContact CD2-CG2 4.08Å; L699-I703 HydrophobicContact CG-CG2 4.38Å; L699-I703 WeakPolarHBondContact O-CG1 3.49Å; L699-I703 PolarHBondContact O-N 3Å; I703-A707 HydrophobicContact CB-CB 4.4Å; I703-A707 HydrophobicContact CD1-CB 4.36Å; I703-R708 HydrophobicContact CD1-CB 3.72Å; I703-R708 HydrophobicContact CD1-CG 4.39Å; I703-R708 HydrophobicContact CG1-CB 4.12Å; I703-L711 HydrophobicContact CD1-CD1 4.09Å
704N78.6Confident80.3Confident130 Ų13062.6 Ų62.670%0.69533%0.325SS*.  trans-72.5151.8179.6-157.3-4.4000111.6K706 A707 R708N704-K706 PolarHBondContact O-N 3.48Å; N704-A707 WeakPolarHBondContact O-CB 3.35Å; N704-A707 PolarHBondContact O-N 3.13Å; N704-R708 PolarHBondContact O-N 3.42Å; N704-R708 VanDerWaalsContact O-N 3.13Å
705K81.4Confident80.1Confident154 Ų15462.8 Ų62.867%0.6733%0.326SS*.Hα-helixtrans-54-35.6-174.1-171.5177.8-179.6-179.30113.4Q709K705-Q709 WeakPolarHBondContact O-CG 3.41Å; K705-Q709 PolarHBondContact O-N 3.44Å; K705-Q709 VanDerWaalsContact O-N 3.1Å
706K82.8Confident79.9Confident171 Ų17167.4 Ų67.474%0.74335%0.35SS*.Hα-helixtrans-68.3-41.3178.1-170.6178.5-179.5-178.70112.8N704 Q709 K710N704-K706 PolarHBondContact O-N 3.48Å; K706-Q709 PolarHBondContact O-N 2.95Å; K706-K710 PolarHBondContact O-N 2.84Å
707A81.3Confident79.6Confident14 Ų1469.2 Ų69.212%0.11636%0.36CS..Hα-helixtrans-65.6-43.1176.400000111.2E673 I703 N704 Q709 K710 L711E673-A707 WeakPolarHBondContact OE1-CB 3.4Å; I703-A707 HydrophobicContact CB-CB 4.4Å; I703-A707 HydrophobicContact CD1-CB 4.36Å; N704-A707 WeakPolarHBondContact O-CB 3.35Å; N704-A707 PolarHBondContact O-N 3.13Å; A707-Q709 PolarHBondContact O-N 3.28Å; A707-K710 WeakPolarHBondContact O-CB 3.32Å; A707-K710 PolarHBondContact O-N 2.97Å; A707-K710 VanDerWaalsContact O-N 3.17Å; A707-L711 PolarHBondContact O-N 3.12Å
708R82.6Confident79.1Confident94 Ų9471 Ų7136%0.35537%0.369SS..Hα-helixtrans-59.2-45.1174.7-174.7176171.3-169.2-4.3112.4V695 N696 I703 N704 K710 L711 L712V695-R708 HydrophobicContact CG1-CG 4.1Å; N696-R708 PolarHBondContact OD1-NE 3.39Å; N696-R708 PolarHBondContact OD1-NH2 3.18Å; I703-R708 HydrophobicContact CD1-CB 3.72Å; I703-R708 HydrophobicContact CD1-CG 4.39Å; I703-R708 HydrophobicContact CG1-CB 4.12Å; N704-R708 PolarHBondContact O-N 3.42Å; N704-R708 VanDerWaalsContact O-N 3.13Å; R708-K710 VanDerWaalsContact C-N 3.32Å; R708-K710 PolarHBondContact O-N 3.5Å; R708-L711 PolarHBondContact O-N 3.24Å; R708-L712 HydrophobicContact CG-CD1 4.32Å; R708-L712 WeakPolarHBondContact O-CG 3.46Å; R708-L712 PolarHBondContact O-N 2.98Å; R708-L712 VanDerWaalsContact O-N 3.08Å
709Q84.8Confident78.5Confident119 Ų11976.7 Ų76.756%0.55640%0.398SS*.Hα-helixtrans-63.8-37176.2-78.5177.7-21.900112.4K705 K706 A707 L712 A713K705-Q709 WeakPolarHBondContact O-CG 3.41Å; K705-Q709 PolarHBondContact O-N 3.44Å; K705-Q709 VanDerWaalsContact O-N 3.1Å; K706-Q709 PolarHBondContact O-N 2.95Å; A707-Q709 PolarHBondContact O-N 3.28Å; Q709-L712 PolarHBondContact O-N 3.41Å; Q709-A713 WeakPolarHBondContact O-CB 3.42Å; Q709-A713 PolarHBondContact O-N 2.76Å
710K87.3Confident78Confident113 Ų11384.9 Ų84.949%0.49143%0.429SS..Hα-helixtrans-61.4-45.9175.2-172.3-163.6176.6-154.30111.7E677 K706 A707 R708 A713 A714E677-K710 IonicContact OE1-NZ 2.76Å; E677-K710 IonicContact OE2-NZ 3.74Å; E677-K710 PolarHBondContact OE2-NZ 2.88Å; K706-K710 PolarHBondContact O-N 2.84Å; A707-K710 WeakPolarHBondContact O-CB 3.32Å; A707-K710 PolarHBondContact O-N 2.97Å; A707-K710 VanDerWaalsContact O-N 3.17Å; R708-K710 VanDerWaalsContact C-N 3.32Å; R708-K710 PolarHBondContact O-N 3.5Å; K710-A713 PolarHBondContact O-N 2.71Å; K710-A714 PolarHBondContact O-N 3.08Å
711L85.3Confident77.2Confident2 Ų289 Ų891%0.0145%0.45CS..Hα-helixtrans-66.7-40.9179.2-69173.9000112.4M676 E677 I680 V695 L699 I703 A707 R708 A714 I715M676-L711 HydrophobicContact CG-CD1 4.33Å; E677-L711 HydrophobicContact CB-CD2 3.76Å; E677-L711 HydrophobicContact CG-CD2 4.15Å; I680-L711 HydrophobicContact CD1-CB 4.4Å; I680-L711 HydrophobicContact CD1-CD2 4.22Å; V695-L711 HydrophobicContact CG1-CB 4.01Å; V695-L711 HydrophobicContact CG1-CD1 4.25Å; V695-L711 HydrophobicContact CG2-CB 4.12Å; L699-L711 HydrophobicContact CD1-CD1 3.77Å; I703-L711 HydrophobicContact CD1-CD1 4.09Å; A707-L711 PolarHBondContact O-N 3.12Å; R708-L711 PolarHBondContact O-N 3.24Å; L711-A714 WeakPolarHBondContact O-CB 3.35Å; L711-A714 PolarHBondContact O-N 3.38Å; L711-I715 WeakPolarHBondContact O-CG1 3.46Å; L711-I715 PolarHBondContact O-N 3.06Å; L711-I715 VanDerWaalsContact O-N 3.12Å
712L86.9Confident76.4Confident49 Ų4993.9 Ų93.926%0.25746%0.46SS..Hα-helixtrans-64.6-40.7175.3-68.8173.8000111.8A692 V695 R708 Q709 A714 I715 D716A692-L712 HydrophobicContact CB-CD2 4.07Å; V695-L712 HydrophobicContact CB-CD2 4.34Å; V695-L712 HydrophobicContact CG1-CD2 4.21Å; V695-L712 HydrophobicContact CG1-CG 4.26Å; R708-L712 HydrophobicContact CG-CD1 4.32Å; R708-L712 WeakPolarHBondContact O-CG 3.46Å; R708-L712 PolarHBondContact O-N 2.98Å; R708-L712 VanDerWaalsContact O-N 3.08Å; Q709-L712 PolarHBondContact O-N 3.41Å; L712-A714 VanDerWaalsContact C-N 3.3Å; L712-A714 PolarHBondContact O-N 3.05Å; L712-I715 HydrophobicContact CD2-CD1 4.37Å; L712-I715 WeakPolarHBondContact O-CB 3.46Å; L712-I715 PolarHBondContact O-N 2.71Å; L712-D716 PolarHBondContact O-N 3.07Å; L712-D716 VanDerWaalsContact O-N 3.13Å
713A86.2Confident74.8Confident48 Ų48101.6 Ų101.640%0.39748%0.482SS..Hα-helixtrans-63.3-36.7173.700000112.2Q709 K710 I715 D716 D717Q709-A713 WeakPolarHBondContact O-CB 3.42Å; Q709-A713 PolarHBondContact O-N 2.76Å; K710-A713 PolarHBondContact O-N 2.71Å; A713-I715 VanDerWaalsContact C-N 3.28Å; A713-I715 PolarHBondContact O-N 3.17Å; A713-D716 PolarHBondContact O-N 3.49Å; A713-D717 PolarHBondContact O-N 3.13Å
714A85.2Confident74.7Confident26 Ų26105.3 Ų105.322%0.21550%0.499CS..Hα-helixtrans-65-30.8175.200000112.7K710 L711 L712 I718K710-A714 PolarHBondContact O-N 3.08Å; L711-A714 WeakPolarHBondContact O-CB 3.35Å; L711-A714 PolarHBondContact O-N 3.38Å; L712-A714 VanDerWaalsContact C-N 3.3Å; L712-A714 PolarHBondContact O-N 3.05Å; A714-I718 WeakPolarHBondContact O-CG1 3.37Å
715I85.4Confident74.5Confident4 Ų4104 Ų1042%0.02149%0.489CS..Hα-helixtrans-68.8-47.7172.7-66.8164.8000110I680 M688 L691 V695 L711 L712 A713 D717 I718I680-I715 HydrophobicContact CD1-CD1 3.97Å; I680-I715 HydrophobicContact CD1-CG1 3.88Å; I680-I715 HydrophobicContact CG1-CD1 4.41Å; I680-I715 HydrophobicContact CG1-CG1 4.11Å; I680-I715 HydrophobicContact CG2-CG1 3.69Å; M688-I715 HydrophobicContact CB-CG2 4.07Å; M688-I715 HydrophobicContact CG-CG2 4.13Å; M688-I715 HydrophobicContact SD-CG2 3.55Å; M688-I715 VanDerWaalsContact SD-CG2 3.55Å; L691-I715 HydrophobicContact CB-CD1 3.76Å; L691-I715 HydrophobicContact CB-CG1 4.12Å; L691-I715 HydrophobicContact CB-CG2 4.42Å; V695-I715 HydrophobicContact CG2-CD1 3.95Å; L711-I715 WeakPolarHBondContact O-CG1 3.46Å; L711-I715 PolarHBondContact O-N 3.06Å; L711-I715 VanDerWaalsContact O-N 3.12Å; L712-I715 HydrophobicContact CD2-CD1 4.37Å; L712-I715 WeakPolarHBondContact O-CB 3.46Å; L712-I715 PolarHBondContact O-N 2.71Å; A713-I715 VanDerWaalsContact C-N 3.28Å; A713-I715 PolarHBondContact O-N 3.17Å; I715-D717 PolarHBondContact O-N 3.43Å; I715-I718 WeakPolarHBondContact O-CB 3.38Å; I715-I718 PolarHBondContact O-N 2.99Å
716D83.4Confident74.1Confident97 Ų97101.2 Ų101.252%0.51948%0.479SS..Hα-helixtrans-61.2-29178.8-70.4-21.4000113L712 A713 I718L712-D716 PolarHBondContact O-N 3.07Å; L712-D716 VanDerWaalsContact O-N 3.13Å; A713-D716 PolarHBondContact O-N 3.49Å; D716-I718 VanDerWaalsContact C-N 3.33Å
717D80Confident73.6Confident95 Ų9597.1 Ų97.151%0.50846%0.463SS..THydrogen-bonded Turntrans-76.4-14.2176.6-80.8-23.8000113.7A713 I715 D719 R720A713-D717 PolarHBondContact O-N 3.13Å; I715-D717 PolarHBondContact O-N 3.43Å; D717-D719 VanDerWaalsContact C-N 3.32Å; D717-D719 PolarHBondContact O-N 3.05Å; D717-R720 IonicContact OD1-NH1 3.66Å
718I73.5Confident73.1Confident55 Ų55102.3 Ų102.328%0.28249%0.485SS..THydrogen-bonded Turntrans-66.7-34.9178.1-71.1171000111.9I680 L691 A714 I715 D716I680-I718 HydrophobicContact CG2-CD1 3.49Å; I680-I718 VanDerWaalsContact CG2-CD1 3.49Å; I680-I718 WeakPolarHBondContact O-CD1 3.38Å; L691-I718 HydrophobicContact CD1-CD1 4.32Å; A714-I718 WeakPolarHBondContact O-CG1 3.37Å; I715-I718 WeakPolarHBondContact O-CB 3.38Å; I715-I718 PolarHBondContact O-N 2.99Å; D716-I718 VanDerWaalsContact C-N 3.33Å
719D61.1Low72.5Confident125 Ų125102.9 Ų102.967%0.66849%0.494SS*.SBendtrans-93.9-3.5-173.1-142.619.1000112.8M688 D717 P721M688-D719 HydrophobicContact SD-CB 4.41Å; D717-D719 VanDerWaalsContact C-N 3.32Å; D717-D719 PolarHBondContact O-N 3.05Å; D719-P721 WeakPolarHBondContact O-CD 3.21Å
720R61.3Low71.6Confident180 Ų180101.7 Ų101.768%0.67949%0.489SS*.SBendtrans-72.5121.7172.3-79.3-177.2170.4-174.3-2109.2D717 K722D717-R720 IonicContact OD1-NH1 3.66Å; R720-K722 PolarHBondContact O-N 3.1Å; R720-K722 VanDerWaalsContact O-N 3.08Å
721P47.2Very low70.4Confident116 Ų116100.8 Ų100.875%0.75349%0.489SS*.  trans-57.1123.417222.8-30.4000107.5D719 R723D719-P721 WeakPolarHBondContact O-CD 3.21Å; P721-R723 PolarHBondContact O-N 3.44Å
722K45.8Very low69.1Low197 Ų197109.1 Ų109.186%0.85753%0.529SS*.  trans-54111.9171.5-73.2-176.5176-178.60106.6R720R720-K722 PolarHBondContact O-N 3.1Å; R720-K722 VanDerWaalsContact O-N 3.08Å
723R33.6Very low67.5Low317 Ų317114.5 Ų114.5100%1.19655%0.554SS**  trans-60.40175.1-87.9-173.6176.2-179.1-1.4111.3P721P721-R723 PolarHBondContact O-N 3.44Å

Retrieved 723 of 723 residues in 493.2 ms (Link to these results)

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