A0A060XH19_ONCMY Loading...

Beta-centractin

AlphaFold DB , UniProt , Accession A0A060XH19, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523429, Length 376 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
1M36.1Very low59.4Low249 Ų249121.5 Ų121.5100%1.22761%0.614SS**  098.80-132.3169.5-176.800105.1S3M1-S3 PolarHBondContact O-N 3.07Å
2E36.1Very low62.6Low183 Ų183111.3 Ų111.386%0.85556%0.563SS**  trans-63.6126.5-165.3-71.6166.9153.900110.5Y4E2-Y4 PolarHBondContact O-N 3.36Å; E2-Y4 VanDerWaalsContact O-N 3.11Å
3S40.8Very low65.3Low105 Ų105102.8 Ų102.873%0.73452%0.52SS*.  trans-62.3108.1169.949.50000107.7M1 D5M1-S3 PolarHBondContact O-N 3.07Å; S3-D5 PolarHBondContact O-N 2.75Å
4Y47.2Very low67.6Low225 Ų22595.4 Ų95.488%0.88248%0.483SS*.  trans-56.6114.3167.4-80.5-91.4000107.9E2 I6E2-Y4 PolarHBondContact O-N 3.36Å; E2-Y4 VanDerWaalsContact O-N 3.11Å; Y4-I6 PolarHBondContact O-N 3.36Å
5D48.4Very low69.6Low130 Ų13089.3 Ų89.370%0.69545%0.451SS*.  trans-56.8105.8172.2-87.3-43.8000107.8S3 I7S3-D5 PolarHBondContact O-N 2.75Å; D5-I7 VanDerWaalsContact C-N 3.33Å; D5-I7 PolarHBondContact O-N 3.36Å
6I53.3Low71.2Confident74 Ų7484.3 Ų84.338%0.37943%0.427SS..  trans-56110.9153.7-59.4171.5000103.4Y4 A8Y4-I6 PolarHBondContact O-N 3.36Å; I6-A8 HydrophobicContact CG2-CB 4.14Å; I6-A8 PolarHBondContact O-N 3.18Å
7I54Low72.4Confident155 Ų15580 Ų8080%0.79541%0.408SS*.  trans-65.781.6166.9-58.4173.7000104.6D5 N9D5-I7 VanDerWaalsContact C-N 3.33Å; D5-I7 PolarHBondContact O-N 3.36Å; I7-N9 PolarHBondContact O-N 3.01Å
8A62.7Low73.6Confident30 Ų3076 Ų7625%0.24839%0.389CS..  trans-79.4110.9-174.300000106.6I6 P107 W357I6-A8 HydrophobicContact CG2-CB 4.14Å; I6-A8 PolarHBondContact O-N 3.18Å; A8-P107 HydrophobicContact CB-CG 3.94Å; A8-W357 HydrophobicContact CB-CH2 3.65Å; A8-W357 HydrophobicContact CB-CZ2 4.21Å
9N86.8Confident74.6Confident69 Ų6972.6 Ų72.637%0.36937%0.374SS..PPolyproline II helixtrans-56.9162.5164.7-66.4-32.9000109.5I7 P11 E105 P107I7-N9 PolarHBondContact O-N 3.01Å; N9-P11 WeakPolarHBondContact O-CD 3.32Å; N9-E105 WeakPolarHBondContact CB-O 3.33Å; N9-E105 PolarHBondContact ND2-O 2.59Å; N9-P107 VanDerWaalsContact O-CD 3.28Å; N9-P107 WeakPolarHBondContact O-CD 3.45Å
10Q93Very high75.7Confident100 Ų10071.4 Ų71.447%0.46737%0.37SS..PPolyproline II helixtrans-50.1121.7-179.7-170.7176.316.500111F25 A26 H106Q10-F25 HydrophobicContact CG-CB 4.1Å; Q10-F25 HydrophobicContact CG-CD1 4.41Å; Q10-A26 PolarHBondContact NE2-O 3Å; Q10-H106 PolarHBondContact O-ND1 3.18Å
11P95.6Very high76.7Confident16 Ų1668 Ų6810%0.10435%0.353CS..PPolyproline II helixtrans-62.9148.4-177.3-25.134.2000113.2N9 A26 P107 A348 F353 W357N9-P11 WeakPolarHBondContact O-CD 3.32Å; P11-A26 HydrophobicContact CB-CB 4.19Å; P11-A26 HydrophobicContact CG-CB 4.47Å; P11-A26 PolarHBondContact O-N 3.18Å; P11-P107 CarbonylContact C-O 3.59Å; P11-P107 VanDerWaalsContact CA-O 3.25Å; P11-P107 WeakPolarHBondContact CA-O 3.42Å; P11-P107 HydrophobicContact CB-CB 4.2Å; P11-P107 HydrophobicContact CG-CB 4.3Å; P11-P107 HydrophobicContact CG-CG 4.39Å; P11-A348 HydrophobicContact CB-CB 4.2Å; P11-F353 HydrophobicContact CB-CE1 4.08Å; P11-F353 HydrophobicContact CG-CD1 4.21Å; P11-F353 HydrophobicContact CG-CE1 4Å; P11-W357 HydrophobicContact CG-CZ3 4.46Å
12V97.2Very high79.6Confident0 Ų057 Ų570%030%0.298CS..EExtended strand (participates in β ladder)trans-93.8133.6171.3177.10000109.3I14 F25 Y94 L99 H106 P107 V108 L109V12-I14 HydrophobicContact CG1-CD1 4.3Å; V12-I14 HydrophobicContact CG1-CG1 3.88Å; V12-F25 HydrophobicContact CG2-CD1 3.96Å; V12-F25 HydrophobicContact CG2-CE1 3.7Å; V12-F25 HydrophobicContact CG2-CZ 4.49Å; V12-Y94 HydrophobicContact CG1-CE1 4.38Å; V12-Y94 HydrophobicContact CG2-CE1 4.24Å; V12-L99 HydrophobicContact CG1-CD1 3.65Å; V12-L99 HydrophobicContact CG2-CD1 4.46Å; V12-H106 HydrophobicContact CG2-CB 3.83Å; V12-P107 PolarHBondContact N-O 3.26Å; V12-V108 WeakPolarHBondContact O-CA 3.28Å; V12-L109 PolarHBondContact O-N 3.4Å
13V98.1Very high82.5Confident0 Ų048.3 Ų48.30%026%0.257CS..EExtended strand (participates in β ladder)trans-108.5117.4177.7-1790000109A23 G24 A26 L109 W341 A348V13-A23 WeakPolarHBondContact O-CA 3.5Å; V13-G24 PolarHBondContact N-O 2.9Å; V13-G24 PolarHBondContact O-N 2.72Å; V13-A26 HydrophobicContact CG2-CB 4.26Å; V13-L109 HydrophobicContact CG1-CD2 4.2Å; V13-L109 HydrophobicContact CG2-CB 4.26Å; V13-W341 HydrophobicContact CB-CZ2 4.18Å; V13-W341 HydrophobicContact CG1-CG 4.31Å; V13-W341 PolarHBondContact O-NE1 2.81Å; V13-A348 HydrophobicContact CG2-CB 4.03Å
14I97.9Very high85.1Confident0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-117105.7178.9-53.9179.1000109V12 V21 V93 Y94 V108 L109 L110 T111 F128V12-I14 HydrophobicContact CG1-CD1 4.3Å; V12-I14 HydrophobicContact CG1-CG1 3.88Å; I14-V21 HydrophobicContact CG2-CG1 4.47Å; I14-V93 HydrophobicContact CD1-CG1 4.19Å; I14-V93 HydrophobicContact CG1-CG1 4.43Å; I14-Y94 HydrophobicContact CD1-CE2 4.03Å; I14-V108 HydrophobicContact CD1-CG1 4.11Å; I14-V108 HydrophobicContact CG1-CG1 4.39Å; I14-L109 PolarHBondContact N-O 3.08Å; I14-L110 HydrophobicContact CB-CD1 3.94Å; I14-L110 HydrophobicContact CG2-CD1 4.04Å; I14-T111 PolarHBondContact O-N 3.3Å; I14-T111 VanDerWaalsContact O-N 3.12Å; I14-F128 HydrophobicContact CD1-CE1 4.15Å; I14-F128 HydrophobicContact CD1-CZ 4.21Å
15D97.3Very high87.5Confident3 Ų333.5 Ų33.52%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-90.5106.9173.2175.540.8000110.8G17 K22 T111 W341D15-G17 PolarHBondContact O-N 2.94Å; D15-G17 VanDerWaalsContact O-N 3.17Å; D15-K22 HydrophobicContact CB-CB 4.2Å; D15-K22 PolarHBondContact N-O 3.25Å; D15-K22 PolarHBondContact O-N 3.41Å; D15-K22 VanDerWaalsContact O-N 3.15Å; D15-K22 WeakPolarHBondContact OD2-CD 3.49Å; D15-K22 WeakPolarHBondContact OD2-CE 3.33Å; D15-K22 IonicContact OD2-NZ 3.16Å; D15-K22 PolarHBondContact OD2-NZ 3.27Å; D15-T111 VanDerWaalsContact CA-OG1 3.26Å; D15-T111 WeakPolarHBondContact CA-OG1 3.29Å; D15-T111 HydrophobicContact CB-CG2 4.01Å; D15-T111 WeakPolarHBondContact OD1-CB 3.36Å; D15-T111 PolarHBondContact OD1-OG1 2.71Å; D15-W341 HydrophobicContact CB-CB 4.16Å; D15-W341 HydrophobicContact CB-CG 4.48Å
16N94.1Very high89.8Confident10 Ų1027.6 Ų27.65%0.05315%0.153CC..EExtended strand (participates in β ladder)trans-82.489.8-178.9-65.9-47.3000111W90 L110 T111 Q142N16-W90 PolarHBondContact OD1-NE1 3.21Å; N16-L110 WeakPolarHBondContact ND2-CD1 3.07Å; N16-L110 VanDerWaalsContact ND2-CG 3.28Å; N16-L110 WeakPolarHBondContact ND2-CG 3.45Å; N16-T111 PolarHBondContact N-OG1 2.97Å; N16-T111 PolarHBondContact ND2-O 3.18Å; N16-Q142 PolarHBondContact O-NE2 3.28Å; N16-Q142 VanDerWaalsContact O-NE2 3.13Å
17G93.1Very high91.7Very high11 Ų1126.5 Ų26.511%0.11316%0.16CC..  trans-87.3146.4168.700000112D15 G19 V20 N37D15-G17 PolarHBondContact O-N 2.94Å; D15-G17 VanDerWaalsContact O-N 3.17Å; G17-G19 VanDerWaalsContact C-N 3.25Å; G17-G19 PolarHBondContact O-N 3.22Å; G17-V20 VanDerWaalsContact CA-O 3.27Å; G17-V20 WeakPolarHBondContact CA-O 3.48Å; G17-V20 PolarHBondContact N-O 3.13Å; G17-N37 WeakPolarHBondContact O-CB 3.37Å; G17-N37 PolarHBondContact O-ND2 3.02Å
18S93.3Very high93.6Very high8 Ų821.1 Ų21.16%0.05613%0.133CC..SBendtrans-63.5-31.2175.7-52.80000113.5M75 G78 R188S18-M75 VanDerWaalsContact CA-SD 3.52Å; S18-M75 PolarHBondContact OG-SD 2.9Å; S18-M75 VanDerWaalsContact OG-SD 3.37Å; S18-G78 WeakPolarHBondContact OG-CA 3.17Å; S18-G78 PolarHBondContact OG-N 3.5Å; S18-R188 PolarHBondContact O-NH2 3.22Å
19G93.2Very high95Very high11 Ų1127.7 Ų27.711%0.11316%0.159CC..SBendtrans-101-37.4178.500000113.8G17 P36 N37 D162G17-G19 VanDerWaalsContact C-N 3.25Å; G17-G19 PolarHBondContact O-N 3.22Å; G19-P36 CarbonylContact O-C 3.55Å; G19-P36 WeakPolarHBondContact O-CA 3.44Å; G19-N37 PolarHBondContact O-N 3.36Å; G19-D162 WeakPolarHBondContact CA-OD2 3.27Å
20V95.3Very high95.3Very high49 Ų4928.2 Ų28.230%0.29716%0.161SC..EExtended strand (participates in β ladder)trans-138.8126.6-174.3179.90000109.9G17 K22 C34 F35G17-V20 VanDerWaalsContact CA-O 3.27Å; G17-V20 WeakPolarHBondContact CA-O 3.48Å; G17-V20 PolarHBondContact N-O 3.13Å; V20-K22 HydrophobicContact CG1-CG 4.32Å; V20-K22 PolarHBondContact O-NZ 3Å; V20-C34 HydrophobicContact CG1-CB 4.46Å; V20-F35 WeakPolarHBondContact CA-O 3.41Å; V20-F35 WeakPolarHBondContact CG1-O 3.39Å
21V96.5Very high95.4Very high0 Ų023.9 Ų23.90%014%0.141CC..EExtended strand (participates in β ladder)trans-87.1138.3169.1169.70000108.9I14 C34 F35 N37 I89 V93I14-V21 HydrophobicContact CG2-CG1 4.47Å; V21-C34 WeakPolarHBondContact O-CA 3.37Å; V21-F35 HydrophobicContact CB-CE1 4.38Å; V21-F35 HydrophobicContact CB-CE2 4.33Å; V21-F35 HydrophobicContact CB-CZ 4.09Å; V21-F35 HydrophobicContact CG1-CE1 4.14Å; V21-F35 HydrophobicContact CG1-CZ 4Å; V21-F35 PolarHBondContact N-O 2.82Å; V21-F35 PolarHBondContact O-N 2.85Å; V21-F35 VanDerWaalsContact O-N 3.15Å; V21-N37 HydrophobicContact CG2-CB 3.85Å; V21-I89 HydrophobicContact CG2-CG2 4.13Å; V21-V93 HydrophobicContact CG1-CG2 4.15Å
22K96.9Very high95.3Very high18 Ų1828.4 Ų28.48%0.07816%0.159CC..EExtended strand (participates in β ladder)trans-125.2127.7176.9-48.8160.2-157.374.50108.1D15 V20 P31 Y33 L337 Y338 W341D15-K22 HydrophobicContact CB-CB 4.2Å; D15-K22 PolarHBondContact N-O 3.25Å; D15-K22 PolarHBondContact O-N 3.41Å; D15-K22 VanDerWaalsContact O-N 3.15Å; D15-K22 WeakPolarHBondContact OD2-CD 3.49Å; D15-K22 WeakPolarHBondContact OD2-CE 3.33Å; D15-K22 IonicContact OD2-NZ 3.16Å; D15-K22 PolarHBondContact OD2-NZ 3.27Å; V20-K22 HydrophobicContact CG1-CG 4.32Å; V20-K22 PolarHBondContact O-NZ 3Å; K22-P31 HydrophobicContact CB-CB 4.03Å; K22-P31 HydrophobicContact CB-CG 4.33Å; K22-Y33 CarbonylContact C-O 3.09Å; K22-Y33 WeakPolarHBondContact CA-O 3.43Å; K22-L337 WeakPolarHBondContact CE-O 3.02Å; K22-Y338 HydrophobicContact CD-CD1 4.08Å; K22-W341 HydrophobicContact CB-CB 4.3Å; K22-W341 HydrophobicContact CB-CG 4.17Å; K22-W341 HydrophobicContact CD-CB 4.33Å
23A97.1Very high95.2Very high0 Ų031.2 Ų31.20%017%0.17CC..EExtended strand (participates in β ladder)trans-137.2152.5-17500000111.4V13 K32 Y33 V93V13-A23 WeakPolarHBondContact O-CA 3.5Å; A23-K32 PolarHBondContact O-N 3.15Å; A23-Y33 PolarHBondContact N-O 2.92Å; A23-Y33 WeakPolarHBondContact O-CB 3.14Å; A23-Y33 PolarHBondContact O-N 3.44Å; A23-V93 HydrophobicContact CB-CG1 3.7Å
24G97Very high95Very high0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans170.5-173.3176.500000111.2V13V13-G24 PolarHBondContact N-O 2.9Å; V13-G24 PolarHBondContact O-N 2.72Å
25F96.8Very high94.9Very high20 Ų2033.9 Ų33.99%0.08819%0.188CC..EExtended strand (participates in β ladder)trans-95.4149.5178.5-65.4-84.2000111.1Q10 V12 D28 L99 T101 H106Q10-F25 HydrophobicContact CG-CB 4.1Å; Q10-F25 HydrophobicContact CG-CD1 4.41Å; V12-F25 HydrophobicContact CG2-CD1 3.96Å; V12-F25 HydrophobicContact CG2-CE1 3.7Å; V12-F25 HydrophobicContact CG2-CZ 4.49Å; F25-D28 PolarHBondContact O-N 3.24Å; F25-L99 HydrophobicContact CD2-CD2 4.2Å; F25-L99 HydrophobicContact CE2-CD2 3.66Å; F25-L99 HydrophobicContact CZ-CD2 4.04Å; F25-T101 HydrophobicContact CE1-CG2 4.17Å; F25-T101 HydrophobicContact CZ-CG2 3.58Å; F25-H106 AromaticContact CE1-CE1 3.89Å
26A95.9Very high94.8Very high5 Ų534 Ų344%0.04119%0.189CC..THydrogen-bonded Turntrans-61.1137.5174.300000111.3Q10 P11 V13 A348Q10-A26 PolarHBondContact NE2-O 3Å; P11-A26 HydrophobicContact CB-CB 4.19Å; P11-A26 HydrophobicContact CG-CB 4.47Å; P11-A26 PolarHBondContact O-N 3.18Å; V13-A26 HydrophobicContact CG2-CB 4.26Å; A26-A348 HydrophobicContact CB-CB 3.55Å
27G93.6Very high94.9Very high51 Ų5133.6 Ų33.653%0.52619%0.186SC..THydrogen-bonded Turntrans94.4-14.2-176.600000114.7S345G27-S345 PolarHBondContact N-O 3.21Å; G27-S345 PolarHBondContact N-OG 3.19Å
28D94.6Very high95Very high43 Ų4333.2 Ų33.223%0.2318%0.182CC..  trans-72.9145.4169.8-67.6-25.9000109.9F25 K32 W341 S345F25-D28 PolarHBondContact O-N 3.24Å; D28-K32 IonicContact OD1-NZ 3.63Å; D28-K32 WeakPolarHBondContact OD2-CD 3.12Å; D28-K32 WeakPolarHBondContact OD2-CE 3.49Å; D28-K32 IonicContact OD2-NZ 3.45Å; D28-K32 PolarHBondContact OD2-NZ 3.07Å; D28-W341 HydrophobicContact CB-CH2 4Å; D28-W341 WeakPolarHBondContact O-CZ3 3.45Å; D28-S345 PolarHBondContact N-OG 3.3Å; D28-S345 PolarHBondContact O-OG 2.91Å
29Q91.8Very high95.1Very high168 Ų16832.9 Ų32.979%0.78518%0.179SC*.SBendtrans-76-31.7-177.1-68-175.6-4.500113.7I342Q29-I342 WeakPolarHBondContact O-CG1 3.42Å
30I93.7Very high95.2Very high80 Ų8032.3 Ų32.341%0.4117%0.174SC..SBendtrans-133.5145.6-177.5-64176.3000107.1K32 Y338 W341I30-K32 PolarHBondContact O-N 3.45Å; I30-Y338 HydrophobicContact CG2-CD2 4.21Å; I30-Y338 HydrophobicContact CG2-CE2 4.26Å; I30-W341 VanDerWaalsContact C-CZ3 3.41Å
31P95.1Very high95.2Very high8 Ų833 Ų335%0.05217%0.171CC..  trans-57.5123.5173.223.1-34.1000110.5K22 Y33 C34 Y338 W341K22-P31 HydrophobicContact CB-CB 4.03Å; K22-P31 HydrophobicContact CB-CG 4.33Å; P31-Y33 PolarHBondContact O-N 3.28Å; P31-C34 WeakPolarHBondContact CG-SG 3.39Å; P31-Y338 HydrophobicContact CG-CD1 3.62Å; P31-Y338 HydrophobicContact CG-CD2 4.46Å; P31-Y338 HydrophobicContact CG-CE1 4.06Å; P31-Y338 HydrophobicContact CG-CG 3.84Å; P31-W341 HydrophobicContact CB-CD2 3.61Å; P31-W341 HydrophobicContact CB-CE3 3.92Å; P31-W341 HydrophobicContact CB-CG 3.94Å; P31-W341 HydrophobicContact CB-CZ2 4.39Å; P31-W341 HydrophobicContact CB-CZ3 4.42Å; P31-W341 VanDerWaalsContact CD-CE3 3.43Å; P31-W341 HydrophobicContact CG-CD2 4.2Å; P31-W341 HydrophobicContact CG-CE3 4.21Å; P31-W341 HydrophobicContact CG-CG 4.39Å
32K92.9Very high95Very high111 Ų11135 Ų3548%0.48318%0.184SC..SBendtrans-58.7-33.3175.4-78.1-179.9172.6144.80112.2A23 D28 I30A23-K32 PolarHBondContact O-N 3.15Å; D28-K32 IonicContact OD1-NZ 3.63Å; D28-K32 WeakPolarHBondContact OD2-CD 3.12Å; D28-K32 WeakPolarHBondContact OD2-CE 3.49Å; D28-K32 IonicContact OD2-NZ 3.45Å; D28-K32 PolarHBondContact OD2-NZ 3.07Å; I30-K32 PolarHBondContact O-N 3.45Å
33Y94.3Very high94.6Very high60 Ų6038 Ų3824%0.23520%0.197CC..EExtended strand (participates in β ladder)trans-131.3114.5-166.2-66.6-59.2000110.1K22 A23 P31 Q98 L99K22-Y33 CarbonylContact C-O 3.09Å; K22-Y33 WeakPolarHBondContact CA-O 3.43Å; A23-Y33 PolarHBondContact N-O 2.92Å; A23-Y33 WeakPolarHBondContact O-CB 3.14Å; A23-Y33 PolarHBondContact O-N 3.44Å; P31-Y33 PolarHBondContact O-N 3.28Å; Y33-Q98 HydrophobicContact CD1-CG 3.53Å; Y33-Q98 HydrophobicContact CD2-CG 3.98Å; Y33-Q98 HydrophobicContact CE1-CG 4.08Å; Y33-Q98 HydrophobicContact CG-CG 3.45Å; Y33-Q98 VanDerWaalsContact CG-CG 3.45Å; Y33-Q98 PolarHBondContact OH-O 2.89Å; Y33-L99 HydrophobicContact CD2-CD2 3.61Å; Y33-L99 HydrophobicContact CD2-CG 4.12Å; Y33-L99 HydrophobicContact CE2-CD2 3.67Å; Y33-L99 HydrophobicContact CE2-CG 4.25Å
34C95.2Very high94Very high51 Ų5144.5 Ų44.535%0.34523%0.227SC..EExtended strand (participates in β ladder)trans-128.4123.8174.9-66.30000108.9V20 V21 P31V20-C34 HydrophobicContact CG1-CB 4.46Å; V21-C34 WeakPolarHBondContact O-CA 3.37Å; P31-C34 WeakPolarHBondContact CG-SG 3.39Å
35F95.1Very high93.3Very high4 Ų451 Ų512%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-151157.8177.664.1-88.1000111.6V20 V21 I58 I89 Y92 V93V20-F35 WeakPolarHBondContact CA-O 3.41Å; V20-F35 WeakPolarHBondContact CG1-O 3.39Å; V21-F35 HydrophobicContact CB-CE1 4.38Å; V21-F35 HydrophobicContact CB-CE2 4.33Å; V21-F35 HydrophobicContact CB-CZ 4.09Å; V21-F35 HydrophobicContact CG1-CE1 4.14Å; V21-F35 HydrophobicContact CG1-CZ 4Å; V21-F35 PolarHBondContact N-O 2.82Å; V21-F35 PolarHBondContact O-N 2.85Å; V21-F35 VanDerWaalsContact O-N 3.15Å; F35-I58 HydrophobicContact CD2-CG2 4.35Å; F35-I58 HydrophobicContact CE2-CG2 3.85Å; F35-I89 HydrophobicContact CE2-CG2 4.06Å; F35-I89 HydrophobicContact CZ-CG2 4.16Å; F35-Y92 HydrophobicContact CD1-CE1 4.38Å; F35-Y92 HydrophobicContact CD2-CE1 4.34Å; F35-Y92 HydrophobicContact CE1-CD1 4.17Å; F35-Y92 HydrophobicContact CE1-CE1 4.21Å; F35-Y92 AromaticContact CE2-CD1 3.9Å; F35-Y92 HydrophobicContact CE2-CD1 3.9Å; F35-Y92 HydrophobicContact CE2-CE1 4.17Å; F35-Y92 HydrophobicContact CG-CE1 4.45Å; F35-Y92 AromaticContact CZ-CD1 3.72Å; F35-Y92 HydrophobicContact CZ-CD1 3.72Å; F35-Y92 HydrophobicContact CZ-CE1 4.11Å; F35-V93 HydrophobicContact CE1-CG2 3.89Å; F35-V93 HydrophobicContact CZ-CG2 3.65Å
36P94.8Very high92.5Very high7 Ų754.2 Ų54.25%0.04528%0.278CS..EExtended strand (participates in β ladder)trans-62.3139.5-179.6-23.533.9000113.4G19 Y38 E63G19-P36 CarbonylContact O-C 3.55Å; G19-P36 WeakPolarHBondContact O-CA 3.44Å; P36-Y38 VanDerWaalsContact C-N 3.3Å; P36-Y38 HydrophobicContact CB-CD1 3.47Å; P36-Y38 VanDerWaalsContact CB-CD1 3.47Å; P36-Y38 HydrophobicContact CB-CE1 3.16Å; P36-Y38 HydrophobicContact CB-CG 4.34Å; P36-Y38 HydrophobicContact CG-CE1 3.86Å; P36-Y38 PolarHBondContact O-N 3.38Å; P36-E63 VanDerWaalsContact CD-CD 3.47Å; P36-E63 WeakPolarHBondContact CD-OE1 3.23Å; P36-E63 VanDerWaalsContact CG-CD 3.41Å; P36-E63 HydrophobicContact CG-CG 3.74Å; P36-E63 WeakPolarHBondContact CG-OE1 3.42Å
37N95.9Very high91.5Very high0 Ų060.5 Ų60.50%032%0.316CS..SBendtrans-84.768.5179.2-167.48.4000111.3G17 G19 V21 Y73 P74 I89G17-N37 WeakPolarHBondContact O-CB 3.37Å; G17-N37 PolarHBondContact O-ND2 3.02Å; G19-N37 PolarHBondContact O-N 3.36Å; V21-N37 HydrophobicContact CG2-CB 3.85Å; N37-Y73 VanDerWaalsContact O-CD1 3.31Å; N37-Y73 WeakPolarHBondContact O-CD1 3.12Å; N37-P74 WeakPolarHBondContact O-CD 3.31Å; N37-I89 WeakPolarHBondContact OD1-CD1 3.32Å
38Y95.8Very high90.6Very high4 Ų465.8 Ų65.82%0.01633%0.329CS..  trans-148.2161.5173.861-115.7000112.1P36 A62 E63 V71 R72 Y73 E212P36-Y38 VanDerWaalsContact C-N 3.3Å; P36-Y38 HydrophobicContact CB-CD1 3.47Å; P36-Y38 VanDerWaalsContact CB-CD1 3.47Å; P36-Y38 HydrophobicContact CB-CE1 3.16Å; P36-Y38 HydrophobicContact CB-CG 4.34Å; P36-Y38 HydrophobicContact CG-CE1 3.86Å; P36-Y38 PolarHBondContact O-N 3.38Å; Y38-A62 HydrophobicContact CD2-CB 4.39Å; Y38-A62 HydrophobicContact CE2-CB 3.71Å; Y38-E63 VanDerWaalsContact OH-CG 3.31Å; Y38-E63 WeakPolarHBondContact OH-CG 3.48Å; Y38-V71 HydrophobicContact CD1-CG1 3.81Å; Y38-V71 HydrophobicContact CD2-CB 4.41Å; Y38-V71 HydrophobicContact CD2-CG1 3.4Å; Y38-V71 VanDerWaalsContact CD2-CG1 3.4Å; Y38-V71 HydrophobicContact CD2-CG2 4.27Å; Y38-V71 HydrophobicContact CE1-CG1 4.24Å; Y38-V71 HydrophobicContact CE2-CG1 3.89Å; Y38-V71 HydrophobicContact CE2-CG2 4.07Å; Y38-V71 HydrophobicContact CG-CG1 3.36Å; Y38-R72 WeakPolarHBondContact CA-O 3.41Å; Y38-R72 VanDerWaalsContact CB-O 3.31Å; Y38-R72 WeakPolarHBondContact CB-O 3.39Å; Y38-Y73 AromaticContact CD1-CE1 3.76Å; Y38-Y73 HydrophobicContact CD1-CE1 3.76Å; Y38-Y73 AromaticContact CD1-CZ 3.84Å; Y38-Y73 HydrophobicContact CG-CE1 4.36Å; Y38-E212 HydrophobicContact CE1-CG 4.41Å
39V96.4Very high89.4Confident0 Ų068.9 Ų68.90%036%0.36CS..EExtended strand (participates in β ladder)trans-114.8123.1175.7-175.10000109.3L56 I58 R72 D85 I89V39-L56 HydrophobicContact CG1-CD2 3.72Å; V39-I58 HydrophobicContact CG1-CG1 4.32Å; V39-I58 HydrophobicContact CG2-CD1 4.27Å; V39-I58 HydrophobicContact CG2-CG1 4.22Å; V39-R72 PolarHBondContact N-O 3.31Å; V39-R72 PolarHBondContact O-N 3.1Å; V39-D85 HydrophobicContact CG2-CB 3.77Å; V39-I89 HydrophobicContact CG2-CD1 3.96Å; V39-I89 HydrophobicContact CG2-CG1 3.96Å
40G95.4Very high88.3Confident0 Ų064.6 Ų64.60%036%0.361CS..EExtended strand (participates in β ladder)trans-93134.4174.700000111.7F57G40-F57 PolarHBondContact N-O 3.06Å; G40-F57 PolarHBondContact O-N 2.74Å
41R93.9Very high87.5Confident62 Ų6262.7 Ų62.723%0.23436%0.357CS..EExtended strand (participates in β ladder)trans-124.1138.3174.5-69.4174.9177.287.3-5.2110.8K43 L56 L69 S70 D85R41-K43 PolarHBondContact O-N 3.33Å; R41-L56 HydrophobicContact CG-CD2 3.96Å; R41-L69 CarbonylContact O-C 3.51Å; R41-L69 WeakPolarHBondContact O-CA 3.33Å; R41-S70 PolarHBondContact N-O 3.22Å; R41-S70 PolarHBondContact O-N 2.8Å; R41-D85 IonicContact CZ-OD1 2.64Å; R41-D85 IonicContact CZ-OD2 3.34Å; R41-D85 IonicContact NH1-OD1 3.92Å; R41-D85 IonicContact NH1-OD2 3.68Å; R41-D85 PolarHBondContact NH1-OD2 2.9Å; R41-D85 VanDerWaalsContact NH2-CG 3.26Å; R41-D85 IonicContact NH2-OD1 3.78Å; R41-D85 PolarHBondContact NH2-OD1 3.06Å; R41-D85 IonicContact NH2-OD2 3.86Å; R41-D85 PolarHBondContact NH2-OD2 3.27Å
42P92.4Very high86.6Confident44 Ų4465.2 Ų65.229%0.28637%0.37SS..EExtended strand (participates in β ladder)trans-55.1131.3180-25.434.1000113.1D55 F57 L69P42-D55 VanDerWaalsContact CD-O 3.27Å; P42-D55 WeakPolarHBondContact CD-O 3.36Å; P42-F57 HydrophobicContact CG-CD2 4.46Å; P42-F57 HydrophobicContact CG-CE2 3.78Å; P42-L69 HydrophobicContact CG-CD2 4.39Å
43K88.6Confident85.9Confident79 Ų7968.2 Ų68.234%0.34339%0.386SS..SBendtrans-77.4-34.4174.7-69.7173.7-179.4150.50112.7R41 G67 L68 L69R41-K43 PolarHBondContact O-N 3.33Å; K43-G67 PolarHBondContact NZ-O 2.82Å; K43-L68 PolarHBondContact N-O 2.88Å; K43-L69 WeakPolarHBondContact CE-O 3.14Å; K43-L69 PolarHBondContact NZ-O 2.89Å
44H85.3Confident85.3Confident138 Ų13867.3 Ų67.364%0.63940%0.395SS*.SBendtrans-114.9146.9-169.2-57-64.8000110.8
45V82.6Confident84.8Confident135 Ų13570.6 Ų70.682%0.81841%0.409SS*.  trans-66.3132.5176.3-177.80000109.2
46R79.6Confident84.6Confident88 Ų8873.8 Ų73.833%0.33243%0.426SS..  trans-79.6125.6176.9-63.1175-180151.7-5.5109.6A51 L52 G54 D55R46-A51 HydrophobicContact CB-CB 4.41Å; R46-A51 HydrophobicContact CG-CB 4.31Å; R46-L52 PolarHBondContact NE-O 3.3Å; R46-L52 VanDerWaalsContact NE-O 3.12Å; R46-L52 PolarHBondContact NH1-O 3.31Å; R46-L52 PolarHBondContact NH2-O 3.4Å; R46-G54 PolarHBondContact NH1-O 3.49Å; R46-G54 PolarHBondContact NH2-O 3.01Å; R46-D55 IonicContact NH1-OD1 3.91Å; R46-D55 PolarHBondContact NH1-OD1 3.11Å
47V74.6Confident84.6Confident138 Ų13873.8 Ų73.884%0.83643%0.425SS*.  trans-113.6-25.9-179.4-1740000112.1
48M74.3Confident84.6Confident162 Ų16274.6 Ų74.680%0.79843%0.429SS*.SBendtrans-92.3137.1-179.4-74.1-174.817200112.6A51M48-A51 PolarHBondContact O-N 3.27Å
49A69.4Low84.4Confident108 Ų10874.4 Ų74.489%0.89343%0.429SS*.THydrogen-bonded Turntrans-66.2128.5167.100000109.7
50G69.9Low84.2Confident78 Ų7877.7 Ų77.780%0.80445%0.45SS*.THydrogen-bonded Turntrans94.45.8-175.700000115.6
51A75.9Confident84.1Confident40 Ų4082 Ų8233%0.33147%0.469SS..SBendtrans-62.715716600000111R46 M48 E53R46-A51 HydrophobicContact CB-CB 4.41Å; R46-A51 HydrophobicContact CG-CB 4.31Å; M48-A51 PolarHBondContact O-N 3.27Å; A51-E53 PolarHBondContact O-N 3.26Å
52L75.5Confident84Confident61 Ų6179 Ų7932%0.31946%0.458SS..  trans-39.9116.2176.8-94.3132.5000111.5R46 F57 H65 L68R46-L52 PolarHBondContact NE-O 3.3Å; R46-L52 VanDerWaalsContact NE-O 3.12Å; R46-L52 PolarHBondContact NH1-O 3.31Å; R46-L52 PolarHBondContact NH2-O 3.4Å; L52-F57 HydrophobicContact CB-CE1 4.05Å; L52-F57 HydrophobicContact CB-CZ 3.95Å; L52-F57 HydrophobicContact CD2-CD1 4.13Å; L52-F57 HydrophobicContact CD2-CE1 3.39Å; L52-F57 HydrophobicContact CD2-CZ 4.16Å; L52-F57 HydrophobicContact CG-CE1 4.31Å; L52-H65 HydrophobicContact CD1-CB 4.29Å; L52-H65 VanDerWaalsContact CD1-CD2 3.45Å; L52-H65 WeakPolarHBondContact CD1-CD2 3.41Å; L52-H65 VanDerWaalsContact CD2-CD2 3.47Å; L52-H65 WeakPolarHBondContact CD2-CD2 3.38Å; L52-L68 HydrophobicContact CD1-CD1 4.45Å
53E78.1Confident83.9Confident173 Ų17380.5 Ų80.581%0.80846%0.461SS*.  trans-76149.5-178.3-64.4-175.2170.700111.3A51A51-E53 PolarHBondContact O-N 3.26Å
54G81.8Confident84Confident42 Ų4283.8 Ų83.843%0.43348%0.478SS..SBendtrans88.4151.1178.200000114.4R46 F57R46-G54 PolarHBondContact NH1-O 3.49Å; R46-G54 PolarHBondContact NH2-O 3.01Å; G54-F57 VanDerWaalsContact O-CE2 3.27Å; G54-F57 WeakPolarHBondContact O-CE2 3.47Å; G54-F57 VanDerWaalsContact O-CZ 3.24Å; G54-F57 WeakPolarHBondContact O-CZ 3.47Å
55D85.7Confident84.2Confident120 Ų12079.5 Ų79.564%0.64246%0.458SS*.SBendtrans-96.2-2.9-173.8-62-30.5000113.7P42 R46P42-D55 VanDerWaalsContact CD-O 3.27Å; P42-D55 WeakPolarHBondContact CD-O 3.36Å; R46-D55 IonicContact NH1-OD1 3.91Å; R46-D55 PolarHBondContact NH1-OD1 3.11Å
56L91.8Very high84.5Confident71 Ų7176.6 Ų76.637%0.37243%0.432SS..  trans-134.5128.5-172.1-66.3164.1000109.6V39 R41V39-L56 HydrophobicContact CG1-CD2 3.72Å; R41-L56 HydrophobicContact CG-CD2 3.96Å
57F94Very high84.9Confident7 Ų774.8 Ų74.83%0.03144%0.441CS..BIsolated β-bridgetrans-123.3127.1-178.3-62.8-87.6000109.2G40 P42 L52 G54 K61 A62 L69G40-F57 PolarHBondContact N-O 3.06Å; G40-F57 PolarHBondContact O-N 2.74Å; P42-F57 HydrophobicContact CG-CD2 4.46Å; P42-F57 HydrophobicContact CG-CE2 3.78Å; L52-F57 HydrophobicContact CB-CE1 4.05Å; L52-F57 HydrophobicContact CB-CZ 3.95Å; L52-F57 HydrophobicContact CD2-CD1 4.13Å; L52-F57 HydrophobicContact CD2-CE1 3.39Å; L52-F57 HydrophobicContact CD2-CZ 4.16Å; L52-F57 HydrophobicContact CG-CE1 4.31Å; G54-F57 VanDerWaalsContact O-CE2 3.27Å; G54-F57 WeakPolarHBondContact O-CE2 3.47Å; G54-F57 VanDerWaalsContact O-CZ 3.24Å; G54-F57 WeakPolarHBondContact O-CZ 3.47Å; F57-K61 HydrophobicContact CD1-CB 4.29Å; F57-A62 HydrophobicContact CB-CB 3.95Å; F57-L69 HydrophobicContact CB-CD1 3.72Å; F57-L69 HydrophobicContact CB-CD2 4.39Å; F57-L69 HydrophobicContact CD2-CD1 4.27Å; F57-L69 HydrophobicContact CD2-CD2 3.4Å; F57-L69 VanDerWaalsContact CD2-CD2 3.4Å; F57-L69 HydrophobicContact CD2-CG 4.49Å; F57-L69 HydrophobicContact CE2-CD2 3.95Å; F57-L69 HydrophobicContact CG-CD1 3.98Å; F57-L69 HydrophobicContact CG-CD2 3.96Å
58I94.8Very high85.6Confident16 Ų1672.9 Ų72.98%0.08243%0.426CS..  trans-133.5147.5-179.7-56.2175.1000107.7F35 V39 R88 I89 Y92F35-I58 HydrophobicContact CD2-CG2 4.35Å; F35-I58 HydrophobicContact CE2-CG2 3.85Å; V39-I58 HydrophobicContact CG1-CG1 4.32Å; V39-I58 HydrophobicContact CG2-CD1 4.27Å; V39-I58 HydrophobicContact CG2-CG1 4.22Å; I58-R88 HydrophobicContact CD1-CB 3.88Å; I58-R88 WeakPolarHBondContact CD1-O 3.22Å; I58-I89 HydrophobicContact CD1-CG1 4.04Å; I58-I89 HydrophobicContact CG2-CG1 4.01Å; I58-Y92 HydrophobicContact CB-CD1 4.16Å; I58-Y92 HydrophobicContact CB-CD2 4.17Å; I58-Y92 HydrophobicContact CB-CG 3.93Å; I58-Y92 HydrophobicContact CG2-CD1 3.52Å; I58-Y92 HydrophobicContact CG2-CD2 4.41Å; I58-Y92 HydrophobicContact CG2-CE1 4.09Å; I58-Y92 HydrophobicContact CG2-CG 3.7Å
59G92.9Very high86.5Confident1 Ų165.4 Ų65.41%0.0139%0.389CS..THydrogen-bonded Turntrans71.8-145.9175.800000113.8K61 A62 E63G59-K61 VanDerWaalsContact C-N 3.27Å; G59-K61 PolarHBondContact O-N 3.12Å; G59-A62 WeakPolarHBondContact O-CB 3.28Å; G59-A62 PolarHBondContact O-N 2.89Å; G59-E63 PolarHBondContact O-N 3.33Å
60P92.6Very high87.6Confident68 Ų6862.1 Ų62.144%0.44236%0.359SS..Hα-helixtrans-56.9-36-173-27.436000114.2A62 E63 E64 Y92P60-A62 VanDerWaalsContact C-N 3.25Å; P60-A62 PolarHBondContact O-N 3.04Å; P60-E63 PolarHBondContact O-N 3.1Å; P60-E64 WeakPolarHBondContact O-CB 3.31Å; P60-E64 PolarHBondContact O-N 2.82Å; P60-Y92 WeakPolarHBondContact CD-OH 3.49Å
61K91.8Very high88.7Confident90 Ų9058.9 Ų58.939%0.39132%0.324SS..Hα-helixtrans-61.3-35.3176-69.6178.3177.7169.90112.2F57 G59 H65 E97F57-K61 HydrophobicContact CD1-CB 4.29Å; G59-K61 VanDerWaalsContact C-N 3.27Å; G59-K61 PolarHBondContact O-N 3.12Å; K61-H65 PolarHBondContact O-CD2 3.07Å; K61-H65 VanDerWaalsContact O-CD2 3.29Å; K61-H65 PolarHBondContact O-N 2.81Å; K61-E97 VanDerWaalsContact NZ-CD 3.28Å; K61-E97 IonicContact NZ-OE1 3.43Å; K61-E97 PolarHBondContact NZ-OE1 3.49Å; K61-E97 IonicContact NZ-OE2 2.65Å; K61-E97 PolarHBondContact NZ-OE2 3.41Å
62A92.3Very high89.6Confident0 Ų064.2 Ų64.20%034%0.335CS..Hα-helixtrans-74.9-35.117800000111.7Y38 F57 G59 P60 R66 L69Y38-A62 HydrophobicContact CD2-CB 4.39Å; Y38-A62 HydrophobicContact CE2-CB 3.71Å; F57-A62 HydrophobicContact CB-CB 3.95Å; G59-A62 WeakPolarHBondContact O-CB 3.28Å; G59-A62 PolarHBondContact O-N 2.89Å; P60-A62 VanDerWaalsContact C-N 3.25Å; P60-A62 PolarHBondContact O-N 3.04Å; A62-R66 WeakPolarHBondContact O-CA 3.41Å; A62-R66 PolarHBondContact O-N 3.16Å; A62-R66 VanDerWaalsContact O-N 3.16Å; A62-L69 HydrophobicContact CB-CD1 4.19Å
63E90.1Very high90.6Very high75 Ų7563.4 Ų63.435%0.3533%0.329SS..Hα-helixtrans-67.2-46.8175.5-71.3-174.6119.200112.1P36 Y38 G59 P60 H65P36-E63 VanDerWaalsContact CD-CD 3.47Å; P36-E63 WeakPolarHBondContact CD-OE1 3.23Å; P36-E63 VanDerWaalsContact CG-CD 3.41Å; P36-E63 HydrophobicContact CG-CG 3.74Å; P36-E63 WeakPolarHBondContact CG-OE1 3.42Å; Y38-E63 VanDerWaalsContact OH-CG 3.31Å; Y38-E63 WeakPolarHBondContact OH-CG 3.48Å; G59-E63 PolarHBondContact O-N 3.33Å; P60-E63 PolarHBondContact O-N 3.1Å; E63-H65 PolarHBondContact O-N 3.49Å
64E90.7Very high91.4Very high149 Ų14955.2 Ų55.270%0.69629%0.29SS*.Hα-helixtrans-62.7-43.5-179-172.6178.5177.500111.4P60P60-E64 WeakPolarHBondContact O-CB 3.31Å; P60-E64 PolarHBondContact O-N 2.82Å
65H90.1Very high92Very high48 Ų4853.7 Ų53.722%0.22227%0.272CS..THydrogen-bonded Turntrans-101.620.7-174.7-56-51.2000114L52 K61 E63 G67 L68 L69L52-H65 HydrophobicContact CD1-CB 4.29Å; L52-H65 VanDerWaalsContact CD1-CD2 3.45Å; L52-H65 WeakPolarHBondContact CD1-CD2 3.41Å; L52-H65 VanDerWaalsContact CD2-CD2 3.47Å; L52-H65 WeakPolarHBondContact CD2-CD2 3.38Å; K61-H65 PolarHBondContact O-CD2 3.07Å; K61-H65 VanDerWaalsContact O-CD2 3.29Å; K61-H65 PolarHBondContact O-N 2.81Å; E63-H65 PolarHBondContact O-N 3.49Å; H65-G67 PolarHBondContact O-N 3.1Å; H65-L68 HydrophobicContact CB-CD1 4.47Å; H65-L68 WeakPolarHBondContact O-CB 3.33Å; H65-L68 PolarHBondContact O-N 2.88Å; H65-L69 HydrophobicContact CB-CD1 4.28Å; H65-L69 WeakPolarHBondContact O-CG 3.39Å
66R88Confident92.4Very high73 Ų7352 Ų5228%0.27526%0.26SS..G310 helixtrans-48.1-36.6-175.665.1-175.8178.7-158.8-6114.8A62 L68 L69 A209A62-R66 WeakPolarHBondContact O-CA 3.41Å; A62-R66 PolarHBondContact O-N 3.16Å; A62-R66 VanDerWaalsContact O-N 3.16Å; R66-L68 VanDerWaalsContact C-N 3.26Å; R66-L68 PolarHBondContact O-N 2.91Å; R66-L69 PolarHBondContact O-N 2.87Å; R66-L69 VanDerWaalsContact O-N 3.11Å; R66-L69 VanDerWaalsContact O-O 3.05Å; R66-A209 HydrophobicContact CB-CB 4.29Å; R66-A209 HydrophobicContact CG-CB 4.46Å; R66-A209 WeakPolarHBondContact O-CB 3.41Å
67G87.8Confident92.4Very high51 Ų5150.8 Ų50.853%0.52625%0.252SS..G310 helixtrans-59.5-37.5-179.900000113K43 H65 L69K43-G67 PolarHBondContact NZ-O 2.82Å; H65-G67 PolarHBondContact O-N 3.1Å; G67-L69 VanDerWaalsContact C-N 3.31Å
68L90Very high92.2Very high98 Ų9850.6 Ų50.651%0.51325%0.253SS..G310 helixtrans-80.4-13.8-179.4-55.5178.4000113K43 L52 H65 R66K43-L68 PolarHBondContact N-O 2.88Å; L52-L68 HydrophobicContact CD1-CD1 4.45Å; H65-L68 HydrophobicContact CB-CD1 4.47Å; H65-L68 WeakPolarHBondContact O-CB 3.33Å; H65-L68 PolarHBondContact O-N 2.88Å; R66-L68 VanDerWaalsContact C-N 3.26Å; R66-L68 PolarHBondContact O-N 2.91Å
69L92.8Very high92.2Very high4 Ų451.2 Ų51.22%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-110.3139.7-168.4-57.6173.8000111.6R41 P42 K43 F57 A62 H65 R66 G67R41-L69 CarbonylContact O-C 3.51Å; R41-L69 WeakPolarHBondContact O-CA 3.33Å; P42-L69 HydrophobicContact CG-CD2 4.39Å; K43-L69 WeakPolarHBondContact CE-O 3.14Å; K43-L69 PolarHBondContact NZ-O 2.89Å; F57-L69 HydrophobicContact CB-CD1 3.72Å; F57-L69 HydrophobicContact CB-CD2 4.39Å; F57-L69 HydrophobicContact CD2-CD1 4.27Å; F57-L69 HydrophobicContact CD2-CD2 3.4Å; F57-L69 VanDerWaalsContact CD2-CD2 3.4Å; F57-L69 HydrophobicContact CD2-CG 4.49Å; F57-L69 HydrophobicContact CE2-CD2 3.95Å; F57-L69 HydrophobicContact CG-CD1 3.98Å; F57-L69 HydrophobicContact CG-CD2 3.96Å; A62-L69 HydrophobicContact CB-CD1 4.19Å; H65-L69 HydrophobicContact CB-CD1 4.28Å; H65-L69 WeakPolarHBondContact O-CG 3.39Å; R66-L69 PolarHBondContact O-N 2.87Å; R66-L69 VanDerWaalsContact O-N 3.11Å; R66-L69 VanDerWaalsContact O-O 3.05Å; G67-L69 VanDerWaalsContact C-N 3.31Å
70S93.2Very high92.3Very high40 Ų4051.9 Ų51.928%0.2826%0.26SS..EExtended strand (participates in β ladder)trans-85.5106.9161.8-171.70000107.6R41R41-S70 PolarHBondContact N-O 3.22Å; R41-S70 PolarHBondContact O-N 2.8Å
71V93.8Very high92.4Very high9 Ų954.6 Ų54.66%0.05527%0.265CS..EExtended strand (participates in β ladder)trans-83.2131-179176.20000110.2Y38 Y73 S208Y38-V71 HydrophobicContact CD1-CG1 3.81Å; Y38-V71 HydrophobicContact CD2-CB 4.41Å; Y38-V71 HydrophobicContact CD2-CG1 3.4Å; Y38-V71 VanDerWaalsContact CD2-CG1 3.4Å; Y38-V71 HydrophobicContact CD2-CG2 4.27Å; Y38-V71 HydrophobicContact CE1-CG1 4.24Å; Y38-V71 HydrophobicContact CE2-CG1 3.89Å; Y38-V71 HydrophobicContact CE2-CG2 4.07Å; Y38-V71 HydrophobicContact CG-CG1 3.36Å; V71-Y73 HydrophobicContact CG1-CE2 4.28Å; V71-S208 PolarHBondContact N-OG 3.12Å
72R94.4Very high92.6Very high152 Ų15252.9 Ų52.957%0.57426%0.26SS*.EExtended strand (participates in β ladder)trans-130.5136.4173.3-67-173.6178.5-177.1-1111.3Y38 V39Y38-R72 WeakPolarHBondContact CA-O 3.41Å; Y38-R72 VanDerWaalsContact CB-O 3.31Å; Y38-R72 WeakPolarHBondContact CB-O 3.39Å; V39-R72 PolarHBondContact N-O 3.31Å; V39-R72 PolarHBondContact O-N 3.1Å
73Y95.1Very high92.8Very high45 Ų4555.4 Ų55.418%0.17627%0.269CS..  trans-92.9123178.3-71.5-86000109.9N37 Y38 V71 M75 E212N37-Y73 VanDerWaalsContact O-CD1 3.31Å; N37-Y73 WeakPolarHBondContact O-CD1 3.12Å; Y38-Y73 AromaticContact CD1-CE1 3.76Å; Y38-Y73 HydrophobicContact CD1-CE1 3.76Å; Y38-Y73 AromaticContact CD1-CZ 3.84Å; Y38-Y73 HydrophobicContact CG-CE1 4.36Å; V71-Y73 HydrophobicContact CG1-CE2 4.28Å; Y73-M75 VanDerWaalsContact C-N 3.3Å; Y73-E212 VanDerWaalsContact OH-CD 3.23Å; Y73-E212 PolarHBondContact OH-OE1 2.93Å
74P96.2Very high93.1Very high1 Ų156.6 Ų56.61%0.00628%0.278CS..SBendtrans-78-17.4177.931.5-35.7000113.3N37 K81 D82 D85 M86 I89N37-P74 WeakPolarHBondContact O-CD 3.31Å; P74-K81 PolarHBondContact O-N 3.35Å; P74-D82 HydrophobicContact CB-CB 4.35Å; P74-D82 PolarHBondContact O-N 3.5Å; P74-D85 HydrophobicContact CB-CB 3.78Å; P74-D85 HydrophobicContact CG-CB 4.49Å; P74-M86 HydrophobicContact CB-CG 3.84Å; P74-M86 HydrophobicContact CB-SD 3.75Å; P74-M86 HydrophobicContact CG-CG 4.19Å; P74-M86 HydrophobicContact CG-SD 3.42Å; P74-M86 WeakPolarHBondContact CG-SD 3.47Å; P74-I89 HydrophobicContact CG-CD1 3.7Å
75M94.8Very high93.4Very high9 Ų949.5 Ų49.54%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-117.1131.6-178.3-159.6-173-153.900110.9S18 Y73 G78 I79 V80 R188S18-M75 VanDerWaalsContact CA-SD 3.52Å; S18-M75 PolarHBondContact OG-SD 2.9Å; S18-M75 VanDerWaalsContact OG-SD 3.37Å; Y73-M75 VanDerWaalsContact C-N 3.3Å; M75-G78 WeakPolarHBondContact CE-O 3.48Å; M75-I79 WeakPolarHBondContact CA-O 3.42Å; M75-I79 WeakPolarHBondContact CG-O 3.47Å; M75-V80 HydrophobicContact CG-CG2 4.49Å; M75-R188 PolarHBondContact O-NH1 3.01Å
76E92.4Very high93.7Very high84 Ų8447.2 Ų47.239%0.39323%0.234SC..EExtended strand (participates in β ladder)trans-127.5129.7175.4-64.8-175.7159.400108.7G78 I79 K81E76-G78 VanDerWaalsContact C-N 3.28Å; E76-G78 PolarHBondContact O-N 3.4Å; E76-I79 PolarHBondContact N-O 3.44Å; E76-I79 WeakPolarHBondContact O-CA 3.41Å; E76-I79 WeakPolarHBondContact O-CB 3.38Å; E76-I79 PolarHBondContact O-N 2.96Å; E76-I79 VanDerWaalsContact O-O 3.05Å; E76-K81 HydrophobicContact CB-CG 4.06Å; E76-K81 HydrophobicContact CG-CG 4.16Å
77H92.6Very high94.1Very high46 Ų4646.6 Ų46.621%0.21324%0.235CC..THydrogen-bonded Turntrans5142.6-179.8-50.7-67.9000114.6I79 G163 R182 D184 D189H77-I79 PolarHBondContact O-N 3.44Å; H77-G163 VanDerWaalsContact CA-O 3.31Å; H77-G163 WeakPolarHBondContact CA-O 3.47Å; H77-G163 PolarHBondContact ND1-O 2.76Å; H77-R182 PolarHBondContact O-NH2 3.29Å; H77-D184 HydrophobicContact CB-CB 4.06Å; H77-D184 PolarHBondContact CE1-O 3.46Å; H77-D184 PolarHBondContact ND1-O 3.23Å; H77-D189 IonicContact CE1-OD1 2.67Å
78G90.2Very high94.5Very high4 Ų448.1 Ų48.14%0.04123%0.225CC..THydrogen-bonded Turntrans70.19.8-178.100000114.7S18 M75 E76S18-G78 WeakPolarHBondContact OG-CA 3.17Å; S18-G78 PolarHBondContact OG-N 3.5Å; M75-G78 WeakPolarHBondContact CE-O 3.48Å; E76-G78 VanDerWaalsContact C-N 3.28Å; E76-G78 PolarHBondContact O-N 3.4Å
79I93.9Very high94.8Very high28 Ų2843.5 Ų43.514%0.14420%0.2CC..EExtended strand (participates in β ladder)trans-119.9128.7-178.9-60.9176.8000108.8M75 E76 H77 K81 N120M75-I79 WeakPolarHBondContact CA-O 3.42Å; M75-I79 WeakPolarHBondContact CG-O 3.47Å; E76-I79 PolarHBondContact N-O 3.44Å; E76-I79 WeakPolarHBondContact O-CA 3.41Å; E76-I79 WeakPolarHBondContact O-CB 3.38Å; E76-I79 PolarHBondContact O-N 2.96Å; E76-I79 VanDerWaalsContact O-O 3.05Å; H77-I79 PolarHBondContact O-N 3.44Å; I79-K81 PolarHBondContact O-N 3.23Å; I79-N120 WeakPolarHBondContact CG2-ND2 3.28Å
80V95.6Very high95Very high15 Ų1543.4 Ų43.49%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-69127.3173.7177.30000109.9M75 W83 M86 N120M75-V80 HydrophobicContact CG-CG2 4.49Å; V80-W83 HydrophobicContact CB-CD2 4.45Å; V80-W83 HydrophobicContact CB-CH2 4.15Å; V80-W83 HydrophobicContact CB-CZ2 3.93Å; V80-W83 HydrophobicContact CG1-CD2 3.66Å; V80-W83 HydrophobicContact CG1-CE3 3.95Å; V80-W83 HydrophobicContact CG1-CG 4.05Å; V80-W83 HydrophobicContact CG1-CH2 4.32Å; V80-W83 HydrophobicContact CG1-CZ2 4.06Å; V80-W83 HydrophobicContact CG1-CZ3 4.28Å; V80-W83 HydrophobicContact CG2-CH2 4.4Å; V80-M86 HydrophobicContact CB-CG 4.1Å; V80-M86 HydrophobicContact CG1-CB 4.09Å; V80-M86 HydrophobicContact CG1-CG 3.31Å; V80-M86 HydrophobicContact CG2-CE 4.5Å; V80-M86 HydrophobicContact CG2-CG 3.68Å; V80-M86 HydrophobicContact CG2-SD 4.28Å; V80-N120 PolarHBondContact O-ND2 2.83Å
81K94.6Very high95.2Very high126 Ų12647.4 Ų47.455%0.54821%0.214SC..SBendtrans-107.8-43.7176.1-61.2-62.7-175.61770111.7P74 E76 I79P74-K81 PolarHBondContact O-N 3.35Å; E76-K81 HydrophobicContact CB-CG 4.06Å; E76-K81 HydrophobicContact CG-CG 4.16Å; I79-K81 PolarHBondContact O-N 3.23Å
82D96.5Very high95.3Very high53 Ų5348.2 Ų48.228%0.28322%0.216SC..  trans-107100.8175.5-167.4-23.6000110.3P74 N84 D85 M86P74-D82 HydrophobicContact CB-CB 4.35Å; P74-D82 PolarHBondContact O-N 3.5Å; D82-N84 WeakPolarHBondContact OD1-CB 3.22Å; D82-N84 PolarHBondContact OD1-N 3.06Å; D82-D85 HydrophobicContact CB-CB 4.19Å; D82-D85 PolarHBondContact O-N 3.41Å; D82-D85 PolarHBondContact OD1-N 2.79Å; D82-M86 PolarHBondContact O-N 2.81Å; D82-M86 VanDerWaalsContact O-N 3.12Å
83W96.1Very high95.3Very high53 Ų5341 Ų4120%0.20119%0.189CC..Hα-helixtrans-69.9-31.4-179.9-74.197.3000113.1V80 D85 M86 E87 W90 N120 K123 A124V80-W83 HydrophobicContact CB-CD2 4.45Å; V80-W83 HydrophobicContact CB-CH2 4.15Å; V80-W83 HydrophobicContact CB-CZ2 3.93Å; V80-W83 HydrophobicContact CG1-CD2 3.66Å; V80-W83 HydrophobicContact CG1-CE3 3.95Å; V80-W83 HydrophobicContact CG1-CG 4.05Å; V80-W83 HydrophobicContact CG1-CH2 4.32Å; V80-W83 HydrophobicContact CG1-CZ2 4.06Å; V80-W83 HydrophobicContact CG1-CZ3 4.28Å; V80-W83 HydrophobicContact CG2-CH2 4.4Å; W83-D85 VanDerWaalsContact C-N 3.3Å; W83-D85 PolarHBondContact O-N 3.01Å; W83-M86 PolarHBondContact O-N 3.26Å; W83-E87 WeakPolarHBondContact O-CB 3.41Å; W83-E87 PolarHBondContact O-N 3.31Å; W83-W90 AromaticContact CZ3-CH2 3.94Å; W83-W90 HydrophobicContact CZ3-CH2 3.94Å; W83-W90 HydrophobicContact CZ3-CZ3 4.27Å; W83-N120 HydrophobicContact CH2-CB 4.39Å; W83-N120 VanDerWaalsContact CH2-O 3.25Å; W83-N120 WeakPolarHBondContact CH2-O 3.46Å; W83-N120 HydrophobicContact CZ2-CB 3.99Å; W83-K123 HydrophobicContact CD2-CB 4.46Å; W83-K123 HydrophobicContact CD2-CG 3.63Å; W83-K123 HydrophobicContact CE3-CB 4.46Å; W83-K123 HydrophobicContact CE3-CG 3.73Å; W83-K123 HydrophobicContact CG-CG 4.28Å; W83-K123 HydrophobicContact CH2-CB 3.77Å; W83-K123 HydrophobicContact CH2-CG 3.95Å; W83-K123 HydrophobicContact CZ2-CB 3.75Å; W83-K123 HydrophobicContact CZ2-CG 3.85Å; W83-K123 HydrophobicContact CZ3-CB 4.12Å; W83-K123 HydrophobicContact CZ3-CG 3.87Å; W83-A124 HydrophobicContact CH2-CB 4.17Å; W83-A124 HydrophobicContact CZ3-CB 4.18Å
84N96.3Very high95.4Very high100 Ų10039.7 Ų39.754%0.53518%0.184SC..Hα-helixtrans-66.5-38.8178.6-59.4-54.4000110.4D82 R88D82-N84 WeakPolarHBondContact OD1-CB 3.22Å; D82-N84 PolarHBondContact OD1-N 3.06Å; N84-R88 WeakPolarHBondContact O-CD 3.43Å; N84-R88 VanDerWaalsContact O-CG 3.26Å; N84-R88 WeakPolarHBondContact O-CG 3.29Å; N84-R88 PolarHBondContact O-N 2.92Å
85D96.5Very high95.2Very high1 Ų141.2 Ų41.21%0.00520%0.195CC..Hα-helixtrans-75.2-35.8178-79.81.9000112.3V39 R41 P74 D82 W83 R88 I89V39-D85 HydrophobicContact CG2-CB 3.77Å; R41-D85 IonicContact CZ-OD1 2.64Å; R41-D85 IonicContact CZ-OD2 3.34Å; R41-D85 IonicContact NH1-OD1 3.92Å; R41-D85 IonicContact NH1-OD2 3.68Å; R41-D85 PolarHBondContact NH1-OD2 2.9Å; R41-D85 VanDerWaalsContact NH2-CG 3.26Å; R41-D85 IonicContact NH2-OD1 3.78Å; R41-D85 PolarHBondContact NH2-OD1 3.06Å; R41-D85 IonicContact NH2-OD2 3.86Å; R41-D85 PolarHBondContact NH2-OD2 3.27Å; P74-D85 HydrophobicContact CB-CB 3.78Å; P74-D85 HydrophobicContact CG-CB 4.49Å; D82-D85 HydrophobicContact CB-CB 4.19Å; D82-D85 PolarHBondContact O-N 3.41Å; D82-D85 PolarHBondContact OD1-N 2.79Å; W83-D85 VanDerWaalsContact C-N 3.3Å; W83-D85 PolarHBondContact O-N 3.01Å; D85-R88 PolarHBondContact O-N 2.91Å; D85-R88 IonicContact OD1-CZ 3.79Å; D85-R88 IonicContact OD1-NH1 3.91Å; D85-R88 PolarHBondContact OD1-NH1 3.2Å; D85-I89 WeakPolarHBondContact O-CG1 3.25Å; D85-I89 PolarHBondContact O-N 2.93Å; D85-I89 VanDerWaalsContact O-N 3.07Å
86M96.9Very high94.9Very high0 Ų049.4 Ų49.40%023%0.23CC..Hα-helixtrans-62.9-42.9170.8-78.9-51.1-59.200112.8P74 V80 D82 W83 R88 I89 W90P74-M86 HydrophobicContact CB-CG 3.84Å; P74-M86 HydrophobicContact CB-SD 3.75Å; P74-M86 HydrophobicContact CG-CG 4.19Å; P74-M86 HydrophobicContact CG-SD 3.42Å; P74-M86 WeakPolarHBondContact CG-SD 3.47Å; V80-M86 HydrophobicContact CB-CG 4.1Å; V80-M86 HydrophobicContact CG1-CB 4.09Å; V80-M86 HydrophobicContact CG1-CG 3.31Å; V80-M86 HydrophobicContact CG2-CE 4.5Å; V80-M86 HydrophobicContact CG2-CG 3.68Å; V80-M86 HydrophobicContact CG2-SD 4.28Å; D82-M86 PolarHBondContact O-N 2.81Å; D82-M86 VanDerWaalsContact O-N 3.12Å; W83-M86 PolarHBondContact O-N 3.26Å; M86-R88 VanDerWaalsContact C-N 3.32Å; M86-R88 PolarHBondContact O-N 3.49Å; M86-I89 WeakPolarHBondContact O-CB 3.37Å; M86-I89 PolarHBondContact O-N 3.12Å; M86-I89 VanDerWaalsContact O-N 3.12Å; M86-W90 HydrophobicContact CB-CH2 4.34Å; M86-W90 HydrophobicContact CB-CZ3 4.33Å; M86-W90 HydrophobicContact CE-CH2 4.5Å; M86-W90 HydrophobicContact CE-CZ2 3.71Å; M86-W90 PolarHBondContact O-N 3.4Å
87E96.7Very high94.6Very high60 Ų6050.1 Ų50.128%0.2823%0.233SC..Hα-helixtrans-60.9-42.9178.6-172.9179.1147.400111.2W83 I89 W90 Q91 V127 T131 F132W83-E87 WeakPolarHBondContact O-CB 3.41Å; W83-E87 PolarHBondContact O-N 3.31Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 2.97Å; E87-W90 PolarHBondContact O-N 3.43Å; E87-Q91 WeakPolarHBondContact O-CB 3.34Å; E87-Q91 PolarHBondContact O-N 2.64Å; E87-V127 HydrophobicContact CG-CG1 4.06Å; E87-T131 VanDerWaalsContact OE1-CG2 3.3Å; E87-T131 WeakPolarHBondContact OE1-CG2 3.31Å; E87-F132 HydrophobicContact CG-CE2 4.22Å; E87-F132 HydrophobicContact CG-CZ 4.22Å
88R96.1Very high94.5Very high83 Ų8348.7 Ų48.731%0.31323%0.227SC..Hα-helixtrans-61.4-37.3173.7-71.1166.2177131.78.8112.8I58 N84 D85 M86 Q91 Y92I58-R88 HydrophobicContact CD1-CB 3.88Å; I58-R88 WeakPolarHBondContact CD1-O 3.22Å; N84-R88 WeakPolarHBondContact O-CD 3.43Å; N84-R88 VanDerWaalsContact O-CG 3.26Å; N84-R88 WeakPolarHBondContact O-CG 3.29Å; N84-R88 PolarHBondContact O-N 2.92Å; D85-R88 PolarHBondContact O-N 2.91Å; D85-R88 IonicContact OD1-CZ 3.79Å; D85-R88 IonicContact OD1-NH1 3.91Å; D85-R88 PolarHBondContact OD1-NH1 3.2Å; M86-R88 VanDerWaalsContact C-N 3.32Å; M86-R88 PolarHBondContact O-N 3.49Å; R88-Q91 PolarHBondContact O-N 3.02Å; R88-Y92 WeakPolarHBondContact O-CB 3.5Å; R88-Y92 PolarHBondContact O-N 3.38Å
89I96.7Very high94.5Very high0 Ų048.8 Ų48.80%023%0.226CC..Hα-helixtrans-67.2-43.4176.2-71.6176.5000110.8V21 F35 N37 V39 I58 P74 D85 M86 E87 Q91 Y92 V93V21-I89 HydrophobicContact CG2-CG2 4.13Å; F35-I89 HydrophobicContact CE2-CG2 4.06Å; F35-I89 HydrophobicContact CZ-CG2 4.16Å; N37-I89 WeakPolarHBondContact OD1-CD1 3.32Å; V39-I89 HydrophobicContact CG2-CD1 3.96Å; V39-I89 HydrophobicContact CG2-CG1 3.96Å; I58-I89 HydrophobicContact CD1-CG1 4.04Å; I58-I89 HydrophobicContact CG2-CG1 4.01Å; P74-I89 HydrophobicContact CG-CD1 3.7Å; D85-I89 WeakPolarHBondContact O-CG1 3.25Å; D85-I89 PolarHBondContact O-N 2.93Å; D85-I89 VanDerWaalsContact O-N 3.07Å; M86-I89 WeakPolarHBondContact O-CB 3.37Å; M86-I89 PolarHBondContact O-N 3.12Å; M86-I89 VanDerWaalsContact O-N 3.12Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 2.97Å; I89-Q91 VanDerWaalsContact C-N 3.35Å; I89-Y92 WeakPolarHBondContact O-CB 3.29Å; I89-Y92 PolarHBondContact O-N 3.2Å; I89-V93 WeakPolarHBondContact O-CG2 3.49Å; I89-V93 PolarHBondContact O-N 2.95Å
90W97.1Very high94.5Very high3 Ų354.2 Ų54.21%0.01125%0.251CS..Hα-helixtrans-65.3-38174.3-65.8-36.4000112.3N16 W83 M86 E87 Y92 V93 Y94 A124 V127 F128 F132N16-W90 PolarHBondContact OD1-NE1 3.21Å; W83-W90 AromaticContact CZ3-CH2 3.94Å; W83-W90 HydrophobicContact CZ3-CH2 3.94Å; W83-W90 HydrophobicContact CZ3-CZ3 4.27Å; M86-W90 HydrophobicContact CB-CH2 4.34Å; M86-W90 HydrophobicContact CB-CZ3 4.33Å; M86-W90 HydrophobicContact CE-CH2 4.5Å; M86-W90 HydrophobicContact CE-CZ2 3.71Å; M86-W90 PolarHBondContact O-N 3.4Å; E87-W90 PolarHBondContact O-N 3.43Å; W90-Y92 VanDerWaalsContact C-N 3.29Å; W90-Y92 PolarHBondContact O-N 2.8Å; W90-V93 WeakPolarHBondContact O-CB 3.49Å; W90-V93 PolarHBondContact O-N 3.48Å; W90-Y94 WeakPolarHBondContact O-CD2 3.49Å; W90-Y94 PolarHBondContact O-N 2.91Å; W90-A124 HydrophobicContact CH2-CB 4.31Å; W90-V127 HydrophobicContact CE3-CG1 3.82Å; W90-V127 HydrophobicContact CZ3-CB 4.2Å; W90-V127 HydrophobicContact CZ3-CG1 3.81Å; W90-F128 AromaticContact CD2-CE2 3.92Å; W90-F128 HydrophobicContact CD2-CE2 3.92Å; W90-F128 AromaticContact CD2-CZ 3.78Å; W90-F128 HydrophobicContact CD2-CZ 3.78Å; W90-F128 AromaticContact CE2-CE2 3.88Å; W90-F128 AromaticContact CE2-CZ 3.91Å; W90-F128 HydrophobicContact CE3-CE2 4.04Å; W90-F128 HydrophobicContact CE3-CZ 4.24Å; W90-F128 AromaticContact CG-CZ 3.92Å; W90-F128 HydrophobicContact CG-CZ 3.92Å; W90-F128 HydrophobicContact CH2-CE2 4.09Å; W90-F128 AromaticContact CZ2-CE2 3.97Å; W90-F128 HydrophobicContact CZ2-CE2 3.97Å; W90-F128 HydrophobicContact CZ2-CZ 4.47Å; W90-F128 HydrophobicContact CZ3-CE2 4.12Å; W90-F132 HydrophobicContact CB-CE2 3.77Å; W90-F132 HydrophobicContact CB-CZ 3.7Å; W90-F132 HydrophobicContact CE3-CE2 4.23Å
91Q96.2Very high94.4Very high123 Ų12354.9 Ų54.958%0.57526%0.255SS*.Hα-helixtrans-61.7-40172.6-170.6-178.715.900111.4E87 R88 I89 Y94 S95 F132E87-Q91 WeakPolarHBondContact O-CB 3.34Å; E87-Q91 PolarHBondContact O-N 2.64Å; R88-Q91 PolarHBondContact O-N 3.02Å; I89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-Y94 PolarHBondContact O-N 2.93Å; Q91-S95 PolarHBondContact O-N 2.94Å; Q91-F132 HydrophobicContact CB-CE1 4.09Å; Q91-F132 HydrophobicContact CB-CZ 4.17Å
92Y95.6Very high94.3Very high26 Ų2655.7 Ų55.710%0.10226%0.259CS..Hα-helixtrans-63.3-39.7174.5179.4-102.5000112.2F35 I58 P60 R88 I89 W90 Y94 S95 E97F35-Y92 HydrophobicContact CD1-CE1 4.38Å; F35-Y92 HydrophobicContact CD2-CE1 4.34Å; F35-Y92 HydrophobicContact CE1-CD1 4.17Å; F35-Y92 HydrophobicContact CE1-CE1 4.21Å; F35-Y92 AromaticContact CE2-CD1 3.9Å; F35-Y92 HydrophobicContact CE2-CD1 3.9Å; F35-Y92 HydrophobicContact CE2-CE1 4.17Å; F35-Y92 HydrophobicContact CG-CE1 4.45Å; F35-Y92 AromaticContact CZ-CD1 3.72Å; F35-Y92 HydrophobicContact CZ-CD1 3.72Å; F35-Y92 HydrophobicContact CZ-CE1 4.11Å; I58-Y92 HydrophobicContact CB-CD1 4.16Å; I58-Y92 HydrophobicContact CB-CD2 4.17Å; I58-Y92 HydrophobicContact CB-CG 3.93Å; I58-Y92 HydrophobicContact CG2-CD1 3.52Å; I58-Y92 HydrophobicContact CG2-CD2 4.41Å; I58-Y92 HydrophobicContact CG2-CE1 4.09Å; I58-Y92 HydrophobicContact CG2-CG 3.7Å; P60-Y92 WeakPolarHBondContact CD-OH 3.49Å; R88-Y92 WeakPolarHBondContact O-CB 3.5Å; R88-Y92 PolarHBondContact O-N 3.38Å; I89-Y92 WeakPolarHBondContact O-CB 3.29Å; I89-Y92 PolarHBondContact O-N 3.2Å; W90-Y92 VanDerWaalsContact C-N 3.29Å; W90-Y92 PolarHBondContact O-N 2.8Å; Y92-Y94 VanDerWaalsContact C-N 3.34Å; Y92-Y94 PolarHBondContact O-N 2.81Å; Y92-S95 VanDerWaalsContact O-CB 3.28Å; Y92-S95 WeakPolarHBondContact O-CB 3.36Å; Y92-S95 PolarHBondContact O-N 2.76Å; Y92-S95 VanDerWaalsContact O-N 3.09Å; Y92-S95 PolarHBondContact O-OG 2.95Å; Y92-E97 HydrophobicContact CE2-CB 4.06Å; Y92-E97 WeakPolarHBondContact CE2-OE2 3.27Å
93V96Very high94.2Very high0 Ų054 Ų540%025%0.251CS..Hα-helixtrans-57.7-44175.4170.20000111.8I14 V21 A23 F35 I89 W90 S95 Q98 L99I14-V93 HydrophobicContact CD1-CG1 4.19Å; I14-V93 HydrophobicContact CG1-CG1 4.43Å; V21-V93 HydrophobicContact CG1-CG2 4.15Å; A23-V93 HydrophobicContact CB-CG1 3.7Å; F35-V93 HydrophobicContact CE1-CG2 3.89Å; F35-V93 HydrophobicContact CZ-CG2 3.65Å; I89-V93 WeakPolarHBondContact O-CG2 3.49Å; I89-V93 PolarHBondContact O-N 2.95Å; W90-V93 WeakPolarHBondContact O-CB 3.49Å; W90-V93 PolarHBondContact O-N 3.48Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-Q98 WeakPolarHBondContact O-CB 3.4Å; V93-L99 HydrophobicContact CG1-CD1 3.52Å; V93-L99 HydrophobicContact CG1-CG 4.26Å; V93-L99 VanDerWaalsContact O-CB 3.3Å; V93-L99 WeakPolarHBondContact O-CB 3.23Å; V93-L99 WeakPolarHBondContact O-CD1 3.32Å; V93-L99 VanDerWaalsContact O-CG 3.3Å; V93-L99 WeakPolarHBondContact O-CG 3.4Å; V93-L99 PolarHBondContact O-N 2.93Å; V93-L99 VanDerWaalsContact O-N 3.14Å
94Y95.5Very high94.1Very high18 Ų1857.1 Ų57.17%0.07127%0.268CS..Hα-helixtrans-79.8-12.3177.1-74.4-71.7000114.1V12 I14 W90 Q91 Y92 L99 T101 V108 F128 F132V12-Y94 HydrophobicContact CG1-CE1 4.38Å; V12-Y94 HydrophobicContact CG2-CE1 4.24Å; I14-Y94 HydrophobicContact CD1-CE2 4.03Å; W90-Y94 WeakPolarHBondContact O-CD2 3.49Å; W90-Y94 PolarHBondContact O-N 2.91Å; Q91-Y94 PolarHBondContact O-N 2.93Å; Y92-Y94 VanDerWaalsContact C-N 3.34Å; Y92-Y94 PolarHBondContact O-N 2.81Å; Y94-L99 HydrophobicContact CD1-CD1 4.35Å; Y94-L99 HydrophobicContact CE1-CD1 4.41Å; Y94-T101 VanDerWaalsContact O-O 3.04Å; Y94-V108 WeakPolarHBondContact OH-CG2 3.5Å; Y94-F128 HydrophobicContact CE2-CE1 4.34Å; Y94-F132 HydrophobicContact CD2-CD1 4.44Å
95S93.6Very high94Very high34 Ų3457 Ų5724%0.23826%0.264CS..SBendtrans-63.8165.8-175.580.50000112.9Q91 Y92 V93 E97 Q98 L99 Q100Q91-S95 PolarHBondContact O-N 2.94Å; Y92-S95 VanDerWaalsContact O-CB 3.28Å; Y92-S95 WeakPolarHBondContact O-CB 3.36Å; Y92-S95 PolarHBondContact O-N 2.76Å; Y92-S95 VanDerWaalsContact O-N 3.09Å; Y92-S95 PolarHBondContact O-OG 2.95Å; V93-S95 VanDerWaalsContact C-N 3.32Å; S95-E97 PolarHBondContact O-N 2.87Å; S95-E97 VanDerWaalsContact O-N 3.16Å; S95-E97 PolarHBondContact OG-N 2.94Å; S95-Q98 PolarHBondContact O-N 3.41Å; S95-L99 PolarHBondContact O-N 3.02Å; S95-Q100 PolarHBondContact O-N 3.22Å; S95-Q100 VanDerWaalsContact O-N 3.14Å
96K88.3Confident93.9Very high180 Ų18057.8 Ų57.878%0.78327%0.268SS*.THydrogen-bonded Turntrans-62.2-19.9175.4-65.2-174.5179.8-178.10113.7Q100K96-Q100 WeakPolarHBondContact O-CG 3.44Å; K96-Q100 PolarHBondContact O-NE2 2.89Å
97E85.6Confident93.8Very high100 Ų10057.9 Ų57.947%0.46727%0.269SS..THydrogen-bonded Turntrans-73.8-22.3177.8-59.2-169.1-176.300111.7K61 Y92 S95K61-E97 VanDerWaalsContact NZ-CD 3.28Å; K61-E97 IonicContact NZ-OE1 3.43Å; K61-E97 PolarHBondContact NZ-OE1 3.49Å; K61-E97 IonicContact NZ-OE2 2.65Å; K61-E97 PolarHBondContact NZ-OE2 3.41Å; Y92-E97 HydrophobicContact CE2-CB 4.06Å; Y92-E97 WeakPolarHBondContact CE2-OE2 3.27Å; S95-E97 PolarHBondContact O-N 2.87Å; S95-E97 VanDerWaalsContact O-N 3.16Å; S95-E97 PolarHBondContact OG-N 2.94Å
98Q90.8Very high93.8Very high15 Ų1555.1 Ų55.17%0.0726%0.255CS..THydrogen-bonded Turntrans-122.1-101.3-173.6-150.171.7-10.100111.7Y33 V93 S95 Q100Y33-Q98 HydrophobicContact CD1-CG 3.53Å; Y33-Q98 HydrophobicContact CD2-CG 3.98Å; Y33-Q98 HydrophobicContact CE1-CG 4.08Å; Y33-Q98 HydrophobicContact CG-CG 3.45Å; Y33-Q98 VanDerWaalsContact CG-CG 3.45Å; Y33-Q98 PolarHBondContact OH-O 2.89Å; V93-Q98 WeakPolarHBondContact O-CB 3.4Å; S95-Q98 PolarHBondContact O-N 3.41Å; Q98-Q100 VanDerWaalsContact C-N 3.34Å; Q98-Q100 PolarHBondContact O-N 3.21Å
99L90.8Very high93.9Very high7 Ų751.1 Ų51.14%0.03724%0.241CC..THydrogen-bonded Turntrans-71.1-22.6-173.7-72.3169.9000114.8V12 F25 Y33 V93 Y94 S95 T101V12-L99 HydrophobicContact CG1-CD1 3.65Å; V12-L99 HydrophobicContact CG2-CD1 4.46Å; F25-L99 HydrophobicContact CD2-CD2 4.2Å; F25-L99 HydrophobicContact CE2-CD2 3.66Å; F25-L99 HydrophobicContact CZ-CD2 4.04Å; Y33-L99 HydrophobicContact CD2-CD2 3.61Å; Y33-L99 HydrophobicContact CD2-CG 4.12Å; Y33-L99 HydrophobicContact CE2-CD2 3.67Å; Y33-L99 HydrophobicContact CE2-CG 4.25Å; V93-L99 HydrophobicContact CG1-CD1 3.52Å; V93-L99 HydrophobicContact CG1-CG 4.26Å; V93-L99 VanDerWaalsContact O-CB 3.3Å; V93-L99 WeakPolarHBondContact O-CB 3.23Å; V93-L99 WeakPolarHBondContact O-CD1 3.32Å; V93-L99 VanDerWaalsContact O-CG 3.3Å; V93-L99 WeakPolarHBondContact O-CG 3.4Å; V93-L99 PolarHBondContact O-N 2.93Å; V93-L99 VanDerWaalsContact O-N 3.14Å; Y94-L99 HydrophobicContact CD1-CD1 4.35Å; Y94-L99 HydrophobicContact CE1-CD1 4.41Å; S95-L99 PolarHBondContact O-N 3.02Å; L99-T101 PolarHBondContact O-N 3.3Å
100Q93.1Very high93.9Very high141 Ų14151.3 Ų51.366%0.65924%0.242SC*.  trans5833-177.5-60.6176.41300114.2S95 K96 Q98S95-Q100 PolarHBondContact O-N 3.22Å; S95-Q100 VanDerWaalsContact O-N 3.14Å; K96-Q100 WeakPolarHBondContact O-CG 3.44Å; K96-Q100 PolarHBondContact O-NE2 2.89Å; Q98-Q100 VanDerWaalsContact C-N 3.34Å; Q98-Q100 PolarHBondContact O-N 3.21Å
101T92.9Very high93.9Very high29 Ų2951.2 Ų51.218%0.17824%0.241CC..SBendtrans-134.8154.9-177.753.30000112.2F25 Y94 L99F25-T101 HydrophobicContact CE1-CG2 4.17Å; F25-T101 HydrophobicContact CZ-CG2 3.58Å; Y94-T101 VanDerWaalsContact O-O 3.04Å; L99-T101 PolarHBondContact O-N 3.3Å
102F93.8Very high93.8Very high144 Ų14446.1 Ų46.163%0.63222%0.217SC*.  trans-83.8136.6175.9-60.4-75.1000110.9E104 E105 H106F102-E104 PolarHBondContact O-N 2.89Å; F102-E105 HydrophobicContact CB-CG 4.22Å; F102-E105 PolarHBondContact O-N 3.06Å; F102-H106 PolarHBondContact O-CD2 3.38Å
103S94.5Very high93.6Very high17 Ų1744.9 Ų44.912%0.11921%0.213CC..G310 helixtrans-63.8-26.2177.750.90000113.1E105 F132S103-E105 PolarHBondContact O-N 3.09Å; S103-F132 WeakPolarHBondContact CB-O 3.33Å; S103-F132 PolarHBondContact OG-O 3.4Å
104E94.1Very high93.4Very high118 Ų11845 Ų4555%0.55121%0.213SC*.G310 helixtrans-70.1-21.7-178.6-51.6-169.1157.900113.1F102 N133 P135F102-E104 PolarHBondContact O-N 2.89Å; E104-N133 HydrophobicContact CG-CB 3.8Å; E104-N133 PolarHBondContact OE1-ND2 3.49Å; E104-P135 WeakPolarHBondContact O-CD 3.46Å
105E92.7Very high93.1Very high98 Ų9849.2 Ų49.246%0.45824%0.237SC..G310 helixtrans-91-20.2-173.4-69.2-179.4-176.600113N9 F102 S103N9-E105 WeakPolarHBondContact CB-O 3.33Å; N9-E105 PolarHBondContact ND2-O 2.59Å; F102-E105 HydrophobicContact CB-CG 4.22Å; F102-E105 PolarHBondContact O-N 3.06Å; S103-E105 PolarHBondContact O-N 3.09Å
106H94.4Very high92.9Very high18 Ų1848.6 Ų48.68%0.08323%0.231CC..SBendtrans-124.2132.6-167.3-63.9-89.6000112.8Q10 V12 F25 F102 P135Q10-H106 PolarHBondContact O-ND1 3.18Å; V12-H106 HydrophobicContact CG2-CB 3.83Å; F25-H106 AromaticContact CE1-CE1 3.89Å; F102-H106 PolarHBondContact O-CD2 3.38Å; H106-P135 VanDerWaalsContact O-CD 3.32Å; H106-P135 WeakPolarHBondContact O-CD 3.39Å
107P95.9Very high93.1Very high2 Ų242.8 Ų42.81%0.01321%0.211CC..  trans-60.6151.4166-20.132.1000111.5A8 N9 P11 V12 A136 W357A8-P107 HydrophobicContact CB-CG 3.94Å; N9-P107 VanDerWaalsContact O-CD 3.28Å; N9-P107 WeakPolarHBondContact O-CD 3.45Å; P11-P107 CarbonylContact C-O 3.59Å; P11-P107 VanDerWaalsContact CA-O 3.25Å; P11-P107 WeakPolarHBondContact CA-O 3.42Å; P11-P107 HydrophobicContact CB-CB 4.2Å; P11-P107 HydrophobicContact CG-CB 4.3Å; P11-P107 HydrophobicContact CG-CG 4.39Å; V12-P107 PolarHBondContact N-O 3.26Å; P107-A136 WeakPolarHBondContact CA-O 3.36Å; P107-A136 HydrophobicContact CB-CB 4.26Å; P107-W357 HydrophobicContact CB-CE3 4.11Å; P107-W357 HydrophobicContact CB-CH2 4.48Å; P107-W357 HydrophobicContact CB-CZ3 3.94Å; P107-W357 HydrophobicContact CG-CH2 4.09Å; P107-W357 HydrophobicContact CG-CZ3 4Å
108V96.9Very high93.4Very high1 Ų140.8 Ų40.81%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-120.6129.2-176.6-173.60000111.5V12 I14 Y94 F128 V134 A136 L137 F138V12-V108 WeakPolarHBondContact O-CA 3.28Å; I14-V108 HydrophobicContact CD1-CG1 4.11Å; I14-V108 HydrophobicContact CG1-CG1 4.39Å; Y94-V108 WeakPolarHBondContact OH-CG2 3.5Å; V108-F128 HydrophobicContact CG1-CD1 4.44Å; V108-F128 HydrophobicContact CG1-CE1 4.1Å; V108-V134 HydrophobicContact CG2-CB 4.14Å; V108-V134 HydrophobicContact CG2-CG1 3.67Å; V108-A136 PolarHBondContact N-O 2.78Å; V108-L137 HydrophobicContact CB-CD1 3.98Å; V108-L137 HydrophobicContact CG1-CD1 4.13Å; V108-L137 CarbonylContact O-C 3.57Å; V108-L137 WeakPolarHBondContact O-CA 3.32Å; V108-F138 PolarHBondContact O-N 3.39Å
109L97.4Very high93.5Very high0 Ų047.6 Ų47.60%024%0.238CC..EExtended strand (participates in β ladder)trans-98.4119.1161.2-168.8157.9000108.6V12 V13 I14 T111 F138 L145 L347 A348 F353V12-L109 PolarHBondContact O-N 3.4Å; V13-L109 HydrophobicContact CG1-CD2 4.2Å; V13-L109 HydrophobicContact CG2-CB 4.26Å; I14-L109 PolarHBondContact N-O 3.08Å; L109-T111 HydrophobicContact CD2-CG2 4.12Å; L109-F138 WeakPolarHBondContact CA-O 3.17Å; L109-F138 HydrophobicContact CD1-CD1 4.28Å; L109-F138 HydrophobicContact CG-CD1 4.21Å; L109-L145 HydrophobicContact CD2-CD1 4.03Å; L109-L347 HydrophobicContact CD1-CB 4.48Å; L109-L347 HydrophobicContact CD1-CD2 4.24Å; L109-A348 HydrophobicContact CD1-CB 4.01Å; L109-F353 HydrophobicContact CB-CZ 4.02Å; L109-F353 HydrophobicContact CD1-CE2 3.86Å; L109-F353 HydrophobicContact CD1-CZ 4.04Å; L109-F353 HydrophobicContact CG-CE2 4.46Å; L109-F353 HydrophobicContact CG-CZ 4.35Å
110L97.4Very high93.7Very high4 Ų448.5 Ų48.52%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-110.6139.9177.6-161.971.1000110.1I14 N16 A124 F128 L137 F138 I139 S140I14-L110 HydrophobicContact CB-CD1 3.94Å; I14-L110 HydrophobicContact CG2-CD1 4.04Å; N16-L110 WeakPolarHBondContact ND2-CD1 3.07Å; N16-L110 VanDerWaalsContact ND2-CG 3.28Å; N16-L110 WeakPolarHBondContact ND2-CG 3.45Å; L110-A124 HydrophobicContact CD2-CB 4.14Å; L110-F128 HydrophobicContact CD1-CE2 3.6Å; L110-F128 HydrophobicContact CD1-CZ 3.63Å; L110-F128 HydrophobicContact CD2-CD2 4.01Å; L110-F128 HydrophobicContact CD2-CE2 3.54Å; L110-F128 HydrophobicContact CD2-CZ 4.41Å; L110-F128 HydrophobicContact CG-CE2 4.18Å; L110-L137 HydrophobicContact CB-CD1 4.13Å; L110-F138 PolarHBondContact N-O 3.27Å; L110-I139 HydrophobicContact CB-CG1 4.27Å; L110-I139 HydrophobicContact CD2-CG1 4.45Å; L110-I139 CarbonylContact O-C 3.57Å; L110-I139 VanDerWaalsContact O-CA 3.31Å; L110-I139 WeakPolarHBondContact O-CA 3.18Å; L110-S140 PolarHBondContact O-N 2.72Å
111T95.9Very high93.7Very high1 Ų142.5 Ų42.51%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-100.3149.4173.275.90000111.9I14 D15 N16 L109 S140 L145 T340I14-T111 PolarHBondContact O-N 3.3Å; I14-T111 VanDerWaalsContact O-N 3.12Å; D15-T111 VanDerWaalsContact CA-OG1 3.26Å; D15-T111 WeakPolarHBondContact CA-OG1 3.29Å; D15-T111 HydrophobicContact CB-CG2 4.01Å; D15-T111 WeakPolarHBondContact OD1-CB 3.36Å; D15-T111 PolarHBondContact OD1-OG1 2.71Å; N16-T111 PolarHBondContact N-OG1 2.97Å; N16-T111 PolarHBondContact ND2-O 3.18Å; L109-T111 HydrophobicContact CD2-CG2 4.12Å; T111-S140 WeakPolarHBondContact CA-O 3.35Å; T111-L145 HydrophobicContact CG2-CD1 3.57Å; T111-T340 HydrophobicContact CG2-CG2 4.22Å
112E93.8Very high93.8Very high15 Ų1544.4 Ų44.47%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-137.815616967.1174-173.700112.2N116 R121 I139 S140 Q142E112-N116 PolarHBondContact OE2-ND2 3.38Å; E112-R121 IonicContact OE1-CZ 3.27Å; E112-R121 IonicContact OE1-NE 3.11Å; E112-R121 PolarHBondContact OE1-NE 2.87Å; E112-R121 IonicContact OE1-NH2 2.71Å; E112-R121 PolarHBondContact OE1-NH2 3.15Å; E112-R121 IonicContact OE2-NE 3.6Å; E112-R121 PolarHBondContact OE2-NE 3.22Å; E112-R121 IonicContact OE2-NH2 3.68Å; E112-I139 HydrophobicContact CB-CG2 4.24Å; E112-I139 HydrophobicContact CG-CG2 3.69Å; E112-S140 PolarHBondContact N-O 3.26Å; E112-Q142 WeakPolarHBondContact O-CG 3.41Å; E112-Q142 PolarHBondContact O-N 3.44Å
113A92.6Very high93.9Very high1 Ų140.8 Ų40.81%0.00821%0.205CC..  trans-67150.3172.400000110.8N116 V164A113-N116 WeakPolarHBondContact O-CB 3.22Å; A113-N116 PolarHBondContact O-N 3.14Å; A113-V164 HydrophobicContact CB-CG1 4.22Å
114P91.3Very high94Very high2 Ų240.4 Ų40.41%0.01320%0.203CC..THydrogen-bonded Turntrans-61.9151.6173.327.2-34.8000111.7N116 M141 H166 V168 I180 R182P114-N116 PolarHBondContact O-N 3.28Å; P114-M141 HydrophobicContact CB-CG 4.08Å; P114-M141 HydrophobicContact CB-SD 3.78Å; P114-H166 VanDerWaalsContact CD-CE1 3.47Å; P114-H166 WeakPolarHBondContact CD-CE1 3.36Å; P114-H166 HydrophobicContact CG-CB 3.63Å; P114-H166 VanDerWaalsContact CG-CD2 3.44Å; P114-H166 WeakPolarHBondContact CG-CD2 3.5Å; P114-V168 HydrophobicContact CB-CG2 4.14Å; P114-V168 HydrophobicContact CG-CG2 4.08Å; P114-I180 HydrophobicContact CB-CD1 4.45Å; P114-I180 HydrophobicContact CB-CG2 3.97Å; P114-I180 HydrophobicContact CG-CG2 4.44Å; P114-R182 PolarHBondContact O-NH1 3.18Å
115L89.4Confident94.1Very high107 Ų10734.8 Ų34.856%0.5618%0.177SC*.THydrogen-bonded Turntrans57.127.9-178.9-50.9176.3000113.4I180 R182L115-I180 HydrophobicContact CD1-CB 4.48Å; L115-I180 HydrophobicContact CD1-CG2 3.92Å; L115-I180 HydrophobicContact CG-CG2 4.01Å; L115-R182 HydrophobicContact CD1-CB 4.28Å
116N89.6Confident94.3Very high21 Ų2133.3 Ų33.311%0.11217%0.169CC..  trans-65.4138.4172.3-169.836.8000110.5E112 A113 P114 S118E112-N116 PolarHBondContact OE2-ND2 3.38Å; A113-N116 WeakPolarHBondContact O-CB 3.22Å; A113-N116 PolarHBondContact O-N 3.14Å; P114-N116 PolarHBondContact O-N 3.28Å; N116-S118 PolarHBondContact O-N 3.29Å
117P91.9Very high94.4Very high57 Ų5732.6 Ų32.637%0.3717%0.167SC..  trans-55.4135.4177.5-28.536.7000112.6K119 N120 R121P117-K119 PolarHBondContact O-N 3.4Å; P117-N120 WeakPolarHBondContact O-CB 3.12Å; P117-N120 PolarHBondContact O-N 3.31Å; P117-R121 PolarHBondContact O-N 3.36Å
118S91.9Very high94.5Very high58 Ų5832.5 Ų32.541%0.40617%0.166SC..Hα-helixtrans-56-37.7179.656.50000112.5N116 N120 R121 E122N116-S118 PolarHBondContact O-N 3.29Å; S118-N120 VanDerWaalsContact C-N 3.26Å; S118-N120 PolarHBondContact O-N 2.98Å; S118-R121 WeakPolarHBondContact O-CB 3.38Å; S118-R121 PolarHBondContact O-N 3.45Å; S118-R121 VanDerWaalsContact O-N 3.13Å; S118-E122 WeakPolarHBondContact O-CG 3.39Å; S118-E122 PolarHBondContact O-N 2.7Å
119K93.9Very high94.5Very high158 Ų15832.6 Ų32.669%0.68717%0.166SC*.Hα-helixtrans-58.3-36.6175.4-67.1-174.4177.3-1780113P117 K123P117-K119 PolarHBondContact O-N 3.4Å; K119-K123 WeakPolarHBondContact O-CB 3.15Å; K119-K123 PolarHBondContact O-N 2.71Å
120N94.1Very high94.4Very high27 Ų2737 Ų3714%0.14419%0.187CC..Hα-helixtrans-72.2-38.9178.1-77.426.5000110.9I79 V80 W83 P117 S118 E122 K123 A124I79-N120 WeakPolarHBondContact CG2-ND2 3.28Å; V80-N120 PolarHBondContact O-ND2 2.83Å; W83-N120 HydrophobicContact CH2-CB 4.39Å; W83-N120 VanDerWaalsContact CH2-O 3.25Å; W83-N120 WeakPolarHBondContact CH2-O 3.46Å; W83-N120 HydrophobicContact CZ2-CB 3.99Å; P117-N120 WeakPolarHBondContact O-CB 3.12Å; P117-N120 PolarHBondContact O-N 3.31Å; S118-N120 VanDerWaalsContact C-N 3.26Å; S118-N120 PolarHBondContact O-N 2.98Å; N120-E122 VanDerWaalsContact C-N 3.34Å; N120-K123 PolarHBondContact O-N 3.09Å; N120-A124 WeakPolarHBondContact O-CB 3.1Å; N120-A124 PolarHBondContact O-N 3.39Å
121R94.1Very high94.3Very high15 Ų1540.2 Ų40.26%0.05721%0.207CC..Hα-helixtrans-61.1-44.5173-169.5-174.9-59.3114.77.9111.5E112 P117 S118 A124 A125 I139 I371 H372E112-R121 IonicContact OE1-CZ 3.27Å; E112-R121 IonicContact OE1-NE 3.11Å; E112-R121 PolarHBondContact OE1-NE 2.87Å; E112-R121 IonicContact OE1-NH2 2.71Å; E112-R121 PolarHBondContact OE1-NH2 3.15Å; E112-R121 IonicContact OE2-NE 3.6Å; E112-R121 PolarHBondContact OE2-NE 3.22Å; E112-R121 IonicContact OE2-NH2 3.68Å; P117-R121 PolarHBondContact O-N 3.36Å; S118-R121 WeakPolarHBondContact O-CB 3.38Å; S118-R121 PolarHBondContact O-N 3.45Å; S118-R121 VanDerWaalsContact O-N 3.13Å; R121-A124 PolarHBondContact O-N 3.07Å; R121-A125 PolarHBondContact O-N 2.93Å; R121-I139 HydrophobicContact CG-CD1 3.5Å; R121-I139 VanDerWaalsContact CG-CD1 3.5Å; R121-I139 HydrophobicContact CG-CG2 4.39Å; R121-I371 HydrophobicContact CG-CG2 3.96Å; R121-H372 PolarHBondContact NH1-ND1 3.24Å
122E95.2Very high94.3Very high69 Ų6940.9 Ų40.932%0.32221%0.21SC..Hα-helixtrans-61.2-46.7175.7-70.7169.2-156.200111.5S118 N120 A124 A125 E126 A368 H372S118-E122 WeakPolarHBondContact O-CG 3.39Å; S118-E122 PolarHBondContact O-N 2.7Å; N120-E122 VanDerWaalsContact C-N 3.34Å; E122-A124 VanDerWaalsContact C-N 3.34Å; E122-A124 PolarHBondContact O-N 2.95Å; E122-A125 WeakPolarHBondContact O-CB 3.49Å; E122-A125 PolarHBondContact O-N 3.16Å; E122-E126 PolarHBondContact O-N 2.97Å; E122-A368 HydrophobicContact CG-CB 3.68Å; E122-H372 IonicContact OE1-CD2 3.85Å; E122-H372 IonicContact OE1-CE1 2.72Å; E122-H372 IonicContact OE1-NE2 3.72Å; E122-H372 PolarHBondContact OE1-NE2 3.22Å
123K95.9Very high94.4Very high68 Ų6842.9 Ų42.930%0.29622%0.221SC..Hα-helixtrans-65.6-37179.2-172.456.4174.2178.40112.6W83 K119 N120 E126 V127W83-K123 HydrophobicContact CD2-CB 4.46Å; W83-K123 HydrophobicContact CD2-CG 3.63Å; W83-K123 HydrophobicContact CE3-CB 4.46Å; W83-K123 HydrophobicContact CE3-CG 3.73Å; W83-K123 HydrophobicContact CG-CG 4.28Å; W83-K123 HydrophobicContact CH2-CB 3.77Å; W83-K123 HydrophobicContact CH2-CG 3.95Å; W83-K123 HydrophobicContact CZ2-CB 3.75Å; W83-K123 HydrophobicContact CZ2-CG 3.85Å; W83-K123 HydrophobicContact CZ3-CB 4.12Å; W83-K123 HydrophobicContact CZ3-CG 3.87Å; K119-K123 WeakPolarHBondContact O-CB 3.15Å; K119-K123 PolarHBondContact O-N 2.71Å; N120-K123 PolarHBondContact O-N 3.09Å; K123-E126 HydrophobicContact CD-CB 4.47Å; K123-E126 WeakPolarHBondContact CD-OE2 3.48Å; K123-E126 IonicContact NZ-OE1 2.81Å; K123-E126 PolarHBondContact NZ-OE1 3.38Å; K123-E126 IonicContact NZ-OE2 3.12Å; K123-E126 PolarHBondContact NZ-OE2 3.48Å; K123-E126 VanDerWaalsContact NZ-OE2 3.11Å; K123-E126 PolarHBondContact O-N 3.15Å; K123-V127 WeakPolarHBondContact O-CG2 3.48Å; K123-V127 PolarHBondContact O-N 3.22Å
124A95.9Very high94.6Very high9 Ų942.9 Ų42.97%0.07422%0.22CC..Hα-helixtrans-61.6-46.617200000110.8W83 W90 L110 N120 R121 E122 E126 V127 F128W83-A124 HydrophobicContact CH2-CB 4.17Å; W83-A124 HydrophobicContact CZ3-CB 4.18Å; W90-A124 HydrophobicContact CH2-CB 4.31Å; L110-A124 HydrophobicContact CD2-CB 4.14Å; N120-A124 WeakPolarHBondContact O-CB 3.1Å; N120-A124 PolarHBondContact O-N 3.39Å; R121-A124 PolarHBondContact O-N 3.07Å; E122-A124 VanDerWaalsContact C-N 3.34Å; E122-A124 PolarHBondContact O-N 2.95Å; A124-E126 PolarHBondContact O-N 2.72Å; A124-V127 PolarHBondContact O-N 3.38Å; A124-F128 VanDerWaalsContact O-CD2 3.25Å; A124-F128 WeakPolarHBondContact O-CD2 3.47Å; A124-F128 PolarHBondContact O-N 3.32Å
125A96.1Very high94.8Very high0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-61-42.6176.700000112.5R121 E122 V127 F128 F129 L137 Y363 I371R121-A125 PolarHBondContact O-N 2.93Å; E122-A125 WeakPolarHBondContact O-CB 3.49Å; E122-A125 PolarHBondContact O-N 3.16Å; A125-V127 PolarHBondContact O-N 2.94Å; A125-F128 PolarHBondContact O-N 3.15Å; A125-F129 HydrophobicContact CB-CD2 4.33Å; A125-F129 HydrophobicContact CB-CE2 4.47Å; A125-F129 WeakPolarHBondContact O-CB 3.39Å; A125-F129 VanDerWaalsContact O-CD2 3.23Å; A125-F129 WeakPolarHBondContact O-CD2 3.49Å; A125-F129 PolarHBondContact O-N 3.35Å; A125-L137 HydrophobicContact CB-CD2 3.86Å; A125-Y363 HydrophobicContact CB-CE2 4.29Å; A125-I371 HydrophobicContact CB-CD1 3.94Å; A125-I371 HydrophobicContact CB-CG1 3.99Å
126E96.1Very high95.1Very high66 Ų6639.2 Ų39.231%0.30820%0.203SC..Hα-helixtrans-55.6-50.8174.5-171.1-165139.400111.1E122 K123 A124 F128 F129 E130 Y363E122-E126 PolarHBondContact O-N 2.97Å; K123-E126 HydrophobicContact CD-CB 4.47Å; K123-E126 WeakPolarHBondContact CD-OE2 3.48Å; K123-E126 IonicContact NZ-OE1 2.81Å; K123-E126 PolarHBondContact NZ-OE1 3.38Å; K123-E126 IonicContact NZ-OE2 3.12Å; K123-E126 PolarHBondContact NZ-OE2 3.48Å; K123-E126 VanDerWaalsContact NZ-OE2 3.11Å; K123-E126 PolarHBondContact O-N 3.15Å; A124-E126 PolarHBondContact O-N 2.72Å; E126-F128 PolarHBondContact O-N 3.17Å; E126-F129 PolarHBondContact O-N 3.4Å; E126-E130 HydrophobicContact CG-CG 4.26Å; E126-E130 WeakPolarHBondContact O-CA 3.37Å; E126-E130 WeakPolarHBondContact O-CB 3.1Å; E126-E130 WeakPolarHBondContact O-CG 3.3Å; E126-E130 PolarHBondContact O-N 3.36Å; E126-Y363 WeakPolarHBondContact CA-OH 3.42Å
127V97.1Very high95.4Very high4 Ų438.3 Ų38.32%0.02420%0.198CC..Iπ-helixtrans-60.6-43.9178.8171.70000111.5E87 W90 K123 A124 A125 T131 F132E87-V127 HydrophobicContact CG-CG1 4.06Å; W90-V127 HydrophobicContact CE3-CG1 3.82Å; W90-V127 HydrophobicContact CZ3-CB 4.2Å; W90-V127 HydrophobicContact CZ3-CG1 3.81Å; K123-V127 WeakPolarHBondContact O-CG2 3.48Å; K123-V127 PolarHBondContact O-N 3.22Å; A124-V127 PolarHBondContact O-N 3.38Å; A125-V127 PolarHBondContact O-N 2.94Å; V127-T131 WeakPolarHBondContact O-CA 3.24Å; V127-T131 VanDerWaalsContact O-CB 3.23Å; V127-T131 WeakPolarHBondContact O-CB 3.34Å; V127-T131 PolarHBondContact O-N 3.03Å; V127-T131 VanDerWaalsContact O-N 3.09Å; V127-F132 HydrophobicContact CG1-CD2 3.78Å; V127-F132 HydrophobicContact CG1-CE2 3.56Å; V127-F132 WeakPolarHBondContact O-CD2 3.44Å; V127-F132 PolarHBondContact O-N 3.29Å
128F97.3Very high95.6Very high0 Ų036.5 Ų36.50%019%0.185CC..Iπ-helixtrans-68.5-41.6-179.9-84-74.1000113.2I14 W90 Y94 V108 L110 A124 A125 E126 F132 N133 V134 L137I14-F128 HydrophobicContact CD1-CE1 4.15Å; I14-F128 HydrophobicContact CD1-CZ 4.21Å; W90-F128 AromaticContact CD2-CE2 3.92Å; W90-F128 HydrophobicContact CD2-CE2 3.92Å; W90-F128 AromaticContact CD2-CZ 3.78Å; W90-F128 HydrophobicContact CD2-CZ 3.78Å; W90-F128 AromaticContact CE2-CE2 3.88Å; W90-F128 AromaticContact CE2-CZ 3.91Å; W90-F128 HydrophobicContact CE3-CE2 4.04Å; W90-F128 HydrophobicContact CE3-CZ 4.24Å; W90-F128 AromaticContact CG-CZ 3.92Å; W90-F128 HydrophobicContact CG-CZ 3.92Å; W90-F128 HydrophobicContact CH2-CE2 4.09Å; W90-F128 AromaticContact CZ2-CE2 3.97Å; W90-F128 HydrophobicContact CZ2-CE2 3.97Å; W90-F128 HydrophobicContact CZ2-CZ 4.47Å; W90-F128 HydrophobicContact CZ3-CE2 4.12Å; Y94-F128 HydrophobicContact CE2-CE1 4.34Å; V108-F128 HydrophobicContact CG1-CD1 4.44Å; V108-F128 HydrophobicContact CG1-CE1 4.1Å; L110-F128 HydrophobicContact CD1-CE2 3.6Å; L110-F128 HydrophobicContact CD1-CZ 3.63Å; L110-F128 HydrophobicContact CD2-CD2 4.01Å; L110-F128 HydrophobicContact CD2-CE2 3.54Å; L110-F128 HydrophobicContact CD2-CZ 4.41Å; L110-F128 HydrophobicContact CG-CE2 4.18Å; A124-F128 VanDerWaalsContact O-CD2 3.25Å; A124-F128 WeakPolarHBondContact O-CD2 3.47Å; A124-F128 PolarHBondContact O-N 3.32Å; A125-F128 PolarHBondContact O-N 3.15Å; E126-F128 PolarHBondContact O-N 3.17Å; F128-F132 HydrophobicContact CD1-CD2 4.18Å; F128-F132 HydrophobicContact CE1-CD2 4.47Å; F128-F132 CarbonylContact O-C 3.55Å; F128-F132 WeakPolarHBondContact O-CB 3.42Å; F128-N133 PolarHBondContact O-N 3.24Å; F128-N133 VanDerWaalsContact O-N 3.15Å; F128-V134 HydrophobicContact CB-CG1 4.39Å; F128-V134 HydrophobicContact CB-CG2 3.98Å; F128-V134 HydrophobicContact CD1-CG1 3.95Å; F128-V134 WeakPolarHBondContact O-CG1 3.41Å; F128-V134 WeakPolarHBondContact O-CG2 3.49Å; F128-V134 PolarHBondContact O-N 3.08Å; F128-L137 HydrophobicContact CB-CD1 4.36Å; F128-L137 HydrophobicContact CB-CD2 4.11Å; F128-L137 HydrophobicContact CD2-CD1 4.36Å; F128-L137 HydrophobicContact CG-CD1 4.24Å
129F96.9Very high95.8Very high3 Ų334 Ų341%0.01317%0.166CC..Iπ-helixtrans-81.5-36.9-178.7-75.1-61.9000114A125 E126 N133 V134 L137 V358 K360 Y363 I371A125-F129 HydrophobicContact CB-CD2 4.33Å; A125-F129 HydrophobicContact CB-CE2 4.47Å; A125-F129 WeakPolarHBondContact O-CB 3.39Å; A125-F129 VanDerWaalsContact O-CD2 3.23Å; A125-F129 WeakPolarHBondContact O-CD2 3.49Å; A125-F129 PolarHBondContact O-N 3.35Å; E126-F129 PolarHBondContact O-N 3.4Å; F129-N133 WeakPolarHBondContact O-CA 3.21Å; F129-N133 PolarHBondContact O-OD1 3.03Å; F129-V134 HydrophobicContact CD1-CG2 3.81Å; F129-V134 WeakPolarHBondContact CD1-O 3.45Å; F129-V134 HydrophobicContact CE1-CG2 3.93Å; F129-V134 HydrophobicContact CG-CG2 4.44Å; F129-L137 HydrophobicContact CD2-CD2 4.43Å; F129-L137 HydrophobicContact CE1-CB 4.21Å; F129-L137 HydrophobicContact CE2-CB 3.76Å; F129-L137 HydrophobicContact CE2-CD2 3.93Å; F129-L137 HydrophobicContact CZ-CB 3.48Å; F129-L137 VanDerWaalsContact CZ-CB 3.48Å; F129-V358 HydrophobicContact CZ-CB 4.5Å; F129-V358 HydrophobicContact CZ-CG1 4.33Å; F129-V358 WeakPolarHBondContact CZ-O 3.46Å; F129-K360 HydrophobicContact CD1-CB 4Å; F129-K360 HydrophobicContact CD1-CG 4.04Å; F129-K360 HydrophobicContact CE1-CB 4.1Å; F129-Y363 HydrophobicContact CB-CD1 3.58Å; F129-Y363 HydrophobicContact CB-CE1 3.64Å; F129-Y363 HydrophobicContact CB-CG 4.31Å; F129-Y363 HydrophobicContact CD1-CD1 4.41Å; F129-Y363 AromaticContact CD2-CD1 3.55Å; F129-Y363 HydrophobicContact CD2-CD1 3.55Å; F129-Y363 AromaticContact CD2-CD2 3.61Å; F129-Y363 HydrophobicContact CD2-CD2 3.61Å; F129-Y363 AromaticContact CD2-CE1 3.94Å; F129-Y363 HydrophobicContact CD2-CE1 3.94Å; F129-Y363 AromaticContact CD2-CE2 3.99Å; F129-Y363 HydrophobicContact CD2-CE2 3.99Å; F129-Y363 AromaticContact CD2-CG 3.37Å; F129-Y363 HydrophobicContact CD2-CG 3.37Å; F129-Y363 HydrophobicContact CE2-CD1 4.33Å; F129-Y363 AromaticContact CE2-CD2 3.82Å; F129-Y363 HydrophobicContact CE2-CD2 3.82Å; F129-Y363 AromaticContact CE2-CG 3.71Å; F129-Y363 HydrophobicContact CE2-CG 3.71Å; F129-Y363 AromaticContact CG-CD1 3.6Å; F129-Y363 HydrophobicContact CG-CD1 3.6Å; F129-Y363 HydrophobicContact CG-CD2 4.48Å; F129-Y363 HydrophobicContact CG-CE1 4.07Å; F129-Y363 AromaticContact CG-CG 3.84Å; F129-Y363 HydrophobicContact CG-CG 3.84Å; F129-Y363 HydrophobicContact CZ-CG 4.39Å; F129-I371 HydrophobicContact CE2-CD1 3.97Å
130E95.8Very high95.8Very high91 Ų9126.9 Ų26.943%0.42514%0.137SC..Iπ-helixtrans-94.4-44.5-172.7-56.7-171.5178.500112.3E126 Y363 R367E126-E130 HydrophobicContact CG-CG 4.26Å; E126-E130 WeakPolarHBondContact O-CA 3.37Å; E126-E130 WeakPolarHBondContact O-CB 3.1Å; E126-E130 WeakPolarHBondContact O-CG 3.3Å; E126-E130 PolarHBondContact O-N 3.36Å; E130-Y363 HydrophobicContact CG-CE1 4.44Å; E130-R367 IonicContact OE1-CZ 2.76Å; E130-R367 IonicContact OE1-NH1 3.61Å; E130-R367 PolarHBondContact OE1-NH1 3.33Å
131T96.4Very high95.7Very high72 Ų7226.8 Ų26.844%0.44214%0.136SC..Iπ-helixtrans-83.6-50.7178.4-50.30000111.4E87 V127E87-T131 VanDerWaalsContact OE1-CG2 3.3Å; E87-T131 WeakPolarHBondContact OE1-CG2 3.31Å; V127-T131 WeakPolarHBondContact O-CA 3.24Å; V127-T131 VanDerWaalsContact O-CB 3.23Å; V127-T131 WeakPolarHBondContact O-CB 3.34Å; V127-T131 PolarHBondContact O-N 3.03Å; V127-T131 VanDerWaalsContact O-N 3.09Å
132F96Very high95.7Very high16 Ų1626.8 Ų26.87%0.0714%0.137CC..SBendtrans-88.7-6.9-175.5-69.1-68.5000114.1E87 W90 Q91 Y94 S103 V127 F128 V134E87-F132 HydrophobicContact CG-CE2 4.22Å; E87-F132 HydrophobicContact CG-CZ 4.22Å; W90-F132 HydrophobicContact CB-CE2 3.77Å; W90-F132 HydrophobicContact CB-CZ 3.7Å; W90-F132 HydrophobicContact CE3-CE2 4.23Å; Q91-F132 HydrophobicContact CB-CE1 4.09Å; Q91-F132 HydrophobicContact CB-CZ 4.17Å; Y94-F132 HydrophobicContact CD2-CD1 4.44Å; S103-F132 WeakPolarHBondContact CB-O 3.33Å; S103-F132 PolarHBondContact OG-O 3.4Å; V127-F132 HydrophobicContact CG1-CD2 3.78Å; V127-F132 HydrophobicContact CG1-CE2 3.56Å; V127-F132 WeakPolarHBondContact O-CD2 3.44Å; V127-F132 PolarHBondContact O-N 3.29Å; F128-F132 HydrophobicContact CD1-CD2 4.18Å; F128-F132 HydrophobicContact CE1-CD2 4.47Å; F128-F132 CarbonylContact O-C 3.55Å; F128-F132 WeakPolarHBondContact O-CB 3.42Å; F132-V134 HydrophobicContact CB-CG1 4.06Å; F132-V134 PolarHBondContact O-N 3.17Å; F132-V134 VanDerWaalsContact O-N 3.17Å
133N96Very high95.7Very high57 Ų5723.5 Ų23.531%0.30512%0.121SC..  trans53.234.2177.3-75.7-41.4000114.4E104 F128 F129 K360E104-N133 HydrophobicContact CG-CB 3.8Å; E104-N133 PolarHBondContact OE1-ND2 3.49Å; F128-N133 PolarHBondContact O-N 3.24Å; F128-N133 VanDerWaalsContact O-N 3.15Å; F129-N133 WeakPolarHBondContact O-CA 3.21Å; F129-N133 PolarHBondContact O-OD1 3.03Å; N133-K360 PolarHBondContact OD1-NZ 2.91Å
134V96.3Very high95.7Very high0 Ų021.2 Ų21.20%011%0.113CC..  trans-63.2143.7-176.6-570000111.9V108 F128 F129 F132 L137V108-V134 HydrophobicContact CG2-CB 4.14Å; V108-V134 HydrophobicContact CG2-CG1 3.67Å; F128-V134 HydrophobicContact CB-CG1 4.39Å; F128-V134 HydrophobicContact CB-CG2 3.98Å; F128-V134 HydrophobicContact CD1-CG1 3.95Å; F128-V134 WeakPolarHBondContact O-CG1 3.41Å; F128-V134 WeakPolarHBondContact O-CG2 3.49Å; F128-V134 PolarHBondContact O-N 3.08Å; F129-V134 HydrophobicContact CD1-CG2 3.81Å; F129-V134 WeakPolarHBondContact CD1-O 3.45Å; F129-V134 HydrophobicContact CE1-CG2 3.93Å; F129-V134 HydrophobicContact CG-CG2 4.44Å; F132-V134 HydrophobicContact CB-CG1 4.06Å; F132-V134 PolarHBondContact O-N 3.17Å; F132-V134 VanDerWaalsContact O-N 3.17Å; V134-L137 HydrophobicContact CG2-CB 4.37Å
135P95.3Very high95.6Very high31 Ų3120.8 Ų20.820%0.20111%0.109CC..SBendtrans-71.4-33.4-179.127-33.9000112.4E104 H106 K360E104-P135 WeakPolarHBondContact O-CD 3.46Å; H106-P135 VanDerWaalsContact O-CD 3.32Å; H106-P135 WeakPolarHBondContact O-CD 3.39Å; P135-K360 PolarHBondContact O-N 2.64Å
136A95.3Very high95.6Very high1 Ų120.9 Ų20.91%0.00811%0.11CC..EExtended strand (participates in β ladder)trans-155.5150.5176.700000111.6P107 V108 W357 V358P107-A136 WeakPolarHBondContact CA-O 3.36Å; P107-A136 HydrophobicContact CB-CB 4.26Å; V108-A136 PolarHBondContact N-O 2.78Å; A136-W357 HydrophobicContact CB-CB 4.15Å; A136-W357 HydrophobicContact CB-CD2 3.92Å; A136-W357 HydrophobicContact CB-CG 3.69Å; A136-V358 CarbonylContact C-O 3.32Å; A136-V358 WeakPolarHBondContact CA-O 3.16Å; A136-V358 WeakPolarHBondContact CB-O 3.21Å
137L96.1Very high95.5Very high2 Ų217.9 Ų17.91%0.0110%0.096CC..EExtended strand (participates in β ladder)trans-132.9136.1-179.4-178.766.5000110.5V108 L110 A125 F128 F129 V134 I139 V358V108-L137 HydrophobicContact CB-CD1 3.98Å; V108-L137 HydrophobicContact CG1-CD1 4.13Å; V108-L137 CarbonylContact O-C 3.57Å; V108-L137 WeakPolarHBondContact O-CA 3.32Å; L110-L137 HydrophobicContact CB-CD1 4.13Å; A125-L137 HydrophobicContact CB-CD2 3.86Å; F128-L137 HydrophobicContact CB-CD1 4.36Å; F128-L137 HydrophobicContact CB-CD2 4.11Å; F128-L137 HydrophobicContact CD2-CD1 4.36Å; F128-L137 HydrophobicContact CG-CD1 4.24Å; F129-L137 HydrophobicContact CD2-CD2 4.43Å; F129-L137 HydrophobicContact CE1-CB 4.21Å; F129-L137 HydrophobicContact CE2-CB 3.76Å; F129-L137 HydrophobicContact CE2-CD2 3.93Å; F129-L137 HydrophobicContact CZ-CB 3.48Å; F129-L137 VanDerWaalsContact CZ-CB 3.48Å; V134-L137 HydrophobicContact CG2-CB 4.37Å; L137-I139 HydrophobicContact CD2-CD1 4.16Å; L137-I139 HydrophobicContact CD2-CG1 4.23Å; L137-I139 HydrophobicContact CG-CG1 4.19Å; L137-V358 PolarHBondContact N-O 3.3Å; L137-V358 PolarHBondContact O-N 3.11Å
138F95.9Very high95.3Very high20 Ų2022 Ų229%0.08811%0.111CC..EExtended strand (participates in β ladder)trans-127.6129.4167.1-176.4-112.1000109.9V108 L109 L110 L347 F353 M356 W357V108-F138 PolarHBondContact O-N 3.39Å; L109-F138 WeakPolarHBondContact CA-O 3.17Å; L109-F138 HydrophobicContact CD1-CD1 4.28Å; L109-F138 HydrophobicContact CG-CD1 4.21Å; L110-F138 PolarHBondContact N-O 3.27Å; F138-L347 HydrophobicContact CE1-CD2 3.85Å; F138-F353 HydrophobicContact CB-CE2 3.82Å; F138-F353 HydrophobicContact CB-CZ 3.91Å; F138-F353 AromaticContact CD1-CE2 3.63Å; F138-F353 HydrophobicContact CD1-CE2 3.63Å; F138-F353 HydrophobicContact CD1-CZ 4.41Å; F138-F353 HydrophobicContact CE1-CE2 4.42Å; F138-F353 AromaticContact CG-CE2 3.89Å; F138-F353 HydrophobicContact CG-CE2 3.89Å; F138-F353 HydrophobicContact CG-CZ 4.47Å; F138-M356 HydrophobicContact CD2-CB 4.1Å; F138-M356 WeakPolarHBondContact CD2-O 3.41Å; F138-M356 HydrophobicContact CE2-CB 3.89Å; F138-M356 HydrophobicContact CZ-CB 4.34Å; F138-W357 HydrophobicContact CB-CB 4.07Å
139I95.7Very high95.1Very high4 Ų423.3 Ų23.32%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-108.8123.9177.9-57.3176.2000108.1L110 E112 R121 L137 I371L110-I139 HydrophobicContact CB-CG1 4.27Å; L110-I139 HydrophobicContact CD2-CG1 4.45Å; L110-I139 CarbonylContact O-C 3.57Å; L110-I139 VanDerWaalsContact O-CA 3.31Å; L110-I139 WeakPolarHBondContact O-CA 3.18Å; E112-I139 HydrophobicContact CB-CG2 4.24Å; E112-I139 HydrophobicContact CG-CG2 3.69Å; R121-I139 HydrophobicContact CG-CD1 3.5Å; R121-I139 VanDerWaalsContact CG-CD1 3.5Å; R121-I139 HydrophobicContact CG-CG2 4.39Å; L137-I139 HydrophobicContact CD2-CD1 4.16Å; L137-I139 HydrophobicContact CD2-CG1 4.23Å; L137-I139 HydrophobicContact CG-CG1 4.19Å; I139-I371 HydrophobicContact CD1-CG2 4.21Å
140S93.8Very high94.9Very high9 Ų925.3 Ų25.36%0.06314%0.135CC..EExtended strand (participates in β ladder)trans-124.9150.1-176.7-172.80000112.5L110 T111 E112 L145L110-S140 PolarHBondContact O-N 2.72Å; T111-S140 WeakPolarHBondContact CA-O 3.35Å; E112-S140 PolarHBondContact N-O 3.26Å; S140-L145 WeakPolarHBondContact OG-CD2 3.5Å; S140-L145 WeakPolarHBondContact OG-CG 3.37Å
141M93.3Very high94.7Very high26 Ų2624.4 Ų24.413%0.12815%0.15CC..EExtended strand (participates in β ladder)trans-74.5134.4176.1-146.1-172.6-55.500110.8P114 A143 V144 L145 V168 A175 I180 F376P114-M141 HydrophobicContact CB-CG 4.08Å; P114-M141 HydrophobicContact CB-SD 3.78Å; M141-A143 PolarHBondContact O-N 3.27Å; M141-V144 HydrophobicContact CB-CB 4.45Å; M141-V144 HydrophobicContact CB-CG2 4.12Å; M141-V144 PolarHBondContact O-N 3.49Å; M141-L145 PolarHBondContact O-N 3.04Å; M141-V168 HydrophobicContact SD-CG1 4.27Å; M141-V168 HydrophobicContact SD-CG2 4.43Å; M141-A175 HydrophobicContact CE-CB 3.97Å; M141-A175 HydrophobicContact SD-CB 4.44Å; M141-I180 HydrophobicContact CE-CD1 4.39Å; M141-I180 HydrophobicContact SD-CD1 4.14Å; M141-F376 HydrophobicContact CE-CE1 4.19Å
142Q94.3Very high94.6Very high15 Ų1524.2 Ų24.27%0.0714%0.141CC..Hα-helixtrans-57.9-44.4-176.3-69.5171.2-22.800113.2N16 E112 V144 L145 S146 T340N16-Q142 PolarHBondContact O-NE2 3.28Å; N16-Q142 VanDerWaalsContact O-NE2 3.13Å; E112-Q142 WeakPolarHBondContact O-CG 3.41Å; E112-Q142 PolarHBondContact O-N 3.44Å; Q142-V144 VanDerWaalsContact C-N 3.34Å; Q142-V144 PolarHBondContact O-N 3.08Å; Q142-L145 PolarHBondContact O-N 3.46Å; Q142-S146 PolarHBondContact O-N 3.27Å; Q142-S146 PolarHBondContact O-OG 2.76Å; Q142-T340 HydrophobicContact CB-CG2 3.69Å; Q142-T340 HydrophobicContact CG-CG2 3.77Å
143A94.6Very high94.4Very high0 Ų027 Ų270%016%0.16CC..Hα-helixtrans-62.3-36.9179.700000114M141 L145 S146 L147 V157 V168 I170M141-A143 PolarHBondContact O-N 3.27Å; A143-L145 VanDerWaalsContact C-N 3.35Å; A143-S146 WeakPolarHBondContact CA-OG 3.46Å; A143-S146 PolarHBondContact O-N 2.7Å; A143-S146 PolarHBondContact O-OG 3.21Å; A143-L147 PolarHBondContact O-N 3.05Å; A143-L147 VanDerWaalsContact O-N 3.15Å; A143-V157 HydrophobicContact CB-CB 3.97Å; A143-V157 HydrophobicContact CB-CG1 4.07Å; A143-V157 WeakPolarHBondContact O-CG2 3.43Å; A143-V168 HydrophobicContact CB-CB 3.54Å; A143-V168 HydrophobicContact CB-CG1 3.95Å; A143-V168 HydrophobicContact CB-CG2 3.76Å; A143-I170 WeakPolarHBondContact O-CD1 3.44Å
144V94.6Very high94.4Very high20 Ų2025.7 Ų25.712%0.12115%0.154CC..Hα-helixtrans-65-44.7178.8173.40000109.8M141 Q142 L147 Y148 I170 A175M141-V144 HydrophobicContact CB-CB 4.45Å; M141-V144 HydrophobicContact CB-CG2 4.12Å; M141-V144 PolarHBondContact O-N 3.49Å; Q142-V144 VanDerWaalsContact C-N 3.34Å; Q142-V144 PolarHBondContact O-N 3.08Å; V144-L147 PolarHBondContact O-N 3.48Å; V144-Y148 HydrophobicContact CG1-CD2 3.69Å; V144-Y148 HydrophobicContact CG1-CE2 3.4Å; V144-Y148 WeakPolarHBondContact O-CD2 3.28Å; V144-Y148 PolarHBondContact O-N 3.19Å; V144-Y148 VanDerWaalsContact O-N 3.09Å; V144-I170 HydrophobicContact CG2-CD1 4.12Å; V144-I170 HydrophobicContact CG2-CG1 4.5Å; V144-A175 HydrophobicContact CG2-CB 4.01Å
145L95.4Very high94.4Very high0 Ų025.7 Ų25.70%015%0.154CC..Hα-helixtrans-64.6-43.7178.1-60.1179.5000112.3L109 T111 S140 M141 Q142 A143 L147 Y148 A149 T340 G343 L347L109-L145 HydrophobicContact CD2-CD1 4.03Å; T111-L145 HydrophobicContact CG2-CD1 3.57Å; S140-L145 WeakPolarHBondContact OG-CD2 3.5Å; S140-L145 WeakPolarHBondContact OG-CG 3.37Å; M141-L145 PolarHBondContact O-N 3.04Å; Q142-L145 PolarHBondContact O-N 3.46Å; A143-L145 VanDerWaalsContact C-N 3.35Å; L145-L147 VanDerWaalsContact C-N 3.29Å; L145-L147 PolarHBondContact O-N 3Å; L145-Y148 WeakPolarHBondContact O-CB 3.48Å; L145-Y148 PolarHBondContact O-N 2.93Å; L145-Y148 VanDerWaalsContact O-N 3.15Å; L145-A149 PolarHBondContact O-N 3.32Å; L145-T340 HydrophobicContact CB-CG2 4.33Å; L145-T340 WeakPolarHBondContact CB-O 3.43Å; L145-T340 HydrophobicContact CD1-CG2 4.35Å; L145-G343 VanDerWaalsContact O-CA 3.28Å; L145-G343 WeakPolarHBondContact O-CA 3.31Å; L145-L347 HydrophobicContact CD2-CB 4.35Å; L145-L347 HydrophobicContact CD2-CD2 3.66Å
146S95.4Very high94.6Very high1 Ų124.2 Ų24.21%0.00714%0.144CC..Hα-helixtrans-65.8-31.4-18061.70000112.8Q142 A143 V157Q142-S146 PolarHBondContact O-N 3.27Å; Q142-S146 PolarHBondContact O-OG 2.76Å; A143-S146 WeakPolarHBondContact CA-OG 3.46Å; A143-S146 PolarHBondContact O-N 2.7Å; A143-S146 PolarHBondContact O-OG 3.21Å; S146-V157 VanDerWaalsContact OG-CG1 3.23Å; S146-V157 WeakPolarHBondContact OG-CG1 3.38Å
147L94.9Very high94.7Very high3 Ų324.1 Ų24.12%0.01614%0.144CC..Hα-helixtrans-67.1-45.9170.4-169.666.1000111.5A143 V144 L145 A149 T150 R152 V157 I170 V299A143-L147 PolarHBondContact O-N 3.05Å; A143-L147 VanDerWaalsContact O-N 3.15Å; V144-L147 PolarHBondContact O-N 3.48Å; L145-L147 VanDerWaalsContact C-N 3.29Å; L145-L147 PolarHBondContact O-N 3Å; L147-A149 VanDerWaalsContact C-N 3.26Å; L147-A149 PolarHBondContact O-N 3.2Å; L147-T150 PolarHBondContact O-N 2.96Å; L147-T150 PolarHBondContact O-OG1 3.12Å; L147-R152 HydrophobicContact CD1-CB 3.78Å; L147-R152 HydrophobicContact CG-CB 4.13Å; L147-R152 WeakPolarHBondContact CG-O 3.45Å; L147-V157 HydrophobicContact CB-CG2 3.77Å; L147-V157 HydrophobicContact CD1-CG2 4.24Å; L147-I170 HydrophobicContact CB-CD1 3.91Å; L147-I170 HydrophobicContact CD2-CB 3.68Å; L147-I170 HydrophobicContact CD2-CD1 3.71Å; L147-I170 HydrophobicContact CD2-CG1 4.29Å; L147-I170 HydrophobicContact CD2-CG2 3.68Å; L147-I170 HydrophobicContact CG-CD1 4.44Å; L147-V299 HydrophobicContact CD1-CB 4.48Å; L147-V299 HydrophobicContact CD1-CG2 3.81Å
148Y91.9Very high94.7Very high90 Ų9024 Ų2435%0.35314%0.143SC..Hα-helixtrans-57.1-39176.7-84.6-60.9000112.4V144 L145 T150 G151V144-Y148 HydrophobicContact CG1-CD2 3.69Å; V144-Y148 HydrophobicContact CG1-CE2 3.4Å; V144-Y148 WeakPolarHBondContact O-CD2 3.28Å; V144-Y148 PolarHBondContact O-N 3.19Å; V144-Y148 VanDerWaalsContact O-N 3.09Å; L145-Y148 WeakPolarHBondContact O-CB 3.48Å; L145-Y148 PolarHBondContact O-N 2.93Å; L145-Y148 VanDerWaalsContact O-N 3.15Å; Y148-T150 PolarHBondContact O-N 3.35Å; Y148-T150 VanDerWaalsContact O-N 3.16Å; Y148-G151 PolarHBondContact O-N 3.37Å
149A94.2Very high94.8Very high28 Ų2823.4 Ų23.423%0.23114%0.141CC..Hα-helixtrans-59.4-26.217600000113.4L145 L147 G151 S339 I342L145-A149 PolarHBondContact O-N 3.32Å; L147-A149 VanDerWaalsContact C-N 3.26Å; L147-A149 PolarHBondContact O-N 3.2Å; A149-G151 VanDerWaalsContact C-N 3.34Å; A149-S339 WeakPolarHBondContact CB-O 3.46Å; A149-I342 HydrophobicContact CB-CB 4.19Å; A149-I342 HydrophobicContact CB-CG2 4.05Å
150T92.6Very high94.8Very high45 Ų4523.2 Ų23.228%0.27614%0.14SC..THydrogen-bonded Turntrans-87.6-1176.668.80000114L147 Y148 R152 V299 P333L147-T150 PolarHBondContact O-N 2.96Å; L147-T150 PolarHBondContact O-OG1 3.12Å; Y148-T150 PolarHBondContact O-N 3.35Å; Y148-T150 VanDerWaalsContact O-N 3.16Å; T150-R152 VanDerWaalsContact C-N 3.3Å; T150-R152 PolarHBondContact O-N 3.35Å; T150-V299 HydrophobicContact CG2-CG1 3.86Å; T150-P333 HydrophobicContact CG2-CG 4.23Å
151G91.3Very high94.9Very high72 Ų7223.7 Ų23.774%0.74215%0.146SC*.THydrogen-bonded Turntrans70.822.8-176.700000113.8Y148 A149Y148-G151 PolarHBondContact O-N 3.37Å; A149-G151 VanDerWaalsContact C-N 3.34Å
152R93.6Very high95Very high68 Ų6823.7 Ų23.726%0.25715%0.147SC..  trans-109.5150.4178.6-63.1178.8-174.7170.34110.3L147 T150 S331L147-R152 HydrophobicContact CD1-CB 3.78Å; L147-R152 HydrophobicContact CG-CB 4.13Å; L147-R152 WeakPolarHBondContact CG-O 3.45Å; T150-R152 VanDerWaalsContact C-N 3.3Å; T150-R152 PolarHBondContact O-N 3.35Å; R152-S331 PolarHBondContact NH1-OG 3.48Å; R152-S331 PolarHBondContact NH2-OG 2.82Å
153T92.6Very high94.9Very high76 Ų7623 Ų2347%0.46614%0.144SC..SBendtrans-109.9-21.4175.555.30000112.5E172 G173T153-E172 PolarHBondContact O-N 2.74Å; T153-E172 VanDerWaalsContact O-N 3.16Å; T153-G173 PolarHBondContact O-N 3.2Å
154T95.7Very high95Very high28 Ų2823.3 Ų23.317%0.17215%0.145CC..SBendtrans-123.6133.5179.7590000110.7I170 Y171 E172T154-I170 CarbonylContact C-O 3.58Å; T154-I170 WeakPolarHBondContact CA-O 3.39Å; T154-Y171 HydrophobicContact CG2-CD2 3.81Å; T154-Y171 HydrophobicContact CG2-CE2 4.03Å; T154-Y171 HydrophobicContact CG2-CG 4.44Å; T154-E172 HydrophobicContact CG2-CG 4.15Å
155G96.7Very high95Very high0 Ų022.4 Ų22.40%014%0.14CC..EExtended strand (participates in β ladder)trans161.8178.6175.500000112.7I170 N297G155-I170 PolarHBondContact N-O 2.94Å; G155-I170 PolarHBondContact O-N 3.41Å; G155-I170 VanDerWaalsContact O-O 3.08Å; G155-N297 CarbonylContact C-O 3.24Å; G155-N297 WeakPolarHBondContact CA-O 3.44Å
156V97.8Very high95.1Very high0 Ų022.4 Ų22.40%014%0.14CC..EExtended strand (participates in β ladder)trans-109.4126.4169.5-173.10000108.5A167 P169 L279 I283 L294 N297 I298 V299V156-A167 HydrophobicContact CG1-CB 4.35Å; V156-P169 HydrophobicContact CG2-CB 4.05Å; V156-L279 HydrophobicContact CB-CD1 4.18Å; V156-L279 HydrophobicContact CG1-CD1 3.55Å; V156-I283 HydrophobicContact CG2-CD1 4.19Å; V156-I283 HydrophobicContact CG2-CG1 3.72Å; V156-L294 HydrophobicContact CG2-CB 3.65Å; V156-L294 HydrophobicContact CG2-CD1 4.19Å; V156-L294 HydrophobicContact CG2-CD2 3.68Å; V156-L294 HydrophobicContact CG2-CG 4.01Å; V156-N297 PolarHBondContact N-O 3.15Å; V156-I298 CarbonylContact O-C 3.52Å; V156-I298 WeakPolarHBondContact O-CA 3.4Å; V156-V299 PolarHBondContact O-N 2.83Å
157V97.8Very high95.2Very high0 Ų022.3 Ų22.30%014%0.139CC..EExtended strand (participates in β ladder)trans-92.8123.4168.8176.30000108.3A143 S146 L147 D159 A167 V168 I170 V299A143-V157 HydrophobicContact CB-CB 3.97Å; A143-V157 HydrophobicContact CB-CG1 4.07Å; A143-V157 WeakPolarHBondContact O-CG2 3.43Å; S146-V157 VanDerWaalsContact OG-CG1 3.23Å; S146-V157 WeakPolarHBondContact OG-CG1 3.38Å; L147-V157 HydrophobicContact CB-CG2 3.77Å; L147-V157 HydrophobicContact CD1-CG2 4.24Å; V157-D159 HydrophobicContact CG1-CB 4.18Å; V157-A167 WeakPolarHBondContact O-CA 3.44Å; V157-V168 PolarHBondContact N-O 3.32Å; V157-V168 PolarHBondContact O-N 2.73Å; V157-I170 HydrophobicContact CG2-CD1 4.15Å; V157-V299 WeakPolarHBondContact CA-O 3.43Å; V157-V299 HydrophobicContact CG2-CB 4.26Å
158L97.8Very high95.3Very high0 Ų022.2 Ų22.20%014%0.139CC..EExtended strand (participates in β ladder)trans-99.6105.6163176.566.7000108T165 A167 I275 L279 V299 L300 S301 F310 L314L158-T165 HydrophobicContact CD1-CG2 3.97Å; L158-A167 HydrophobicContact CD1-CB 4.28Å; L158-I275 HydrophobicContact CD1-CG2 3.78Å; L158-I275 HydrophobicContact CD2-CG2 3.44Å; L158-I275 VanDerWaalsContact CD2-CG2 3.44Å; L158-I275 HydrophobicContact CG-CG2 4.12Å; L158-L279 HydrophobicContact CB-CD1 4.38Å; L158-L279 HydrophobicContact CD2-CD2 4.26Å; L158-V299 PolarHBondContact N-O 2.87Å; L158-L300 HydrophobicContact CB-CD2 4.04Å; L158-L300 HydrophobicContact CD2-CD2 3.88Å; L158-L300 HydrophobicContact CG-CD2 4.37Å; L158-S301 PolarHBondContact O-N 3.1Å; L158-F310 HydrophobicContact CD2-CE1 4.4Å; L158-F310 HydrophobicContact CD2-CZ 4.33Å; L158-L314 HydrophobicContact CD2-CD1 4.27Å; L158-L314 HydrophobicContact CD2-CD2 3.48Å; L158-L314 VanDerWaalsContact CD2-CD2 3.48Å
159D96.3Very high95.6Very high7 Ų717.9 Ų17.94%0.03712%0.122CC..EExtended strand (participates in β ladder)trans-105.5116.8178.1-173.240.4000109.8V157 T165 H166 S301 G302V157-D159 HydrophobicContact CG1-CB 4.18Å; D159-T165 CarbonylContact O-C 3.49Å; D159-T165 VanDerWaalsContact O-CA 3.31Å; D159-T165 WeakPolarHBondContact O-CA 3.43Å; D159-H166 VanDerWaalsContact CB-CE1 3.49Å; D159-H166 WeakPolarHBondContact CB-CE1 3.33Å; D159-H166 WeakPolarHBondContact CB-NE2 3.28Å; D159-H166 PolarHBondContact N-O 3.23Å; D159-H166 PolarHBondContact O-N 3.4Å; D159-H166 IonicContact OD2-CE1 3.57Å; D159-H166 PolarHBondContact OD2-CE1 3.19Å; D159-H166 IonicContact OD2-ND1 2.7Å; D159-H166 IonicContact OD2-NE2 3.39Å; D159-S301 WeakPolarHBondContact CA-O 3.48Å; D159-S301 VanDerWaalsContact OD1-CB 3.24Å; D159-S301 WeakPolarHBondContact OD1-CB 3.45Å; D159-S301 PolarHBondContact OD1-OG 3.19Å; D159-G302 VanDerWaalsContact OD1-CA 3.3Å; D159-G302 WeakPolarHBondContact OD1-CA 3.48Å; D159-G302 PolarHBondContact OD1-N 3.32Å; D159-G302 VanDerWaalsContact OD1-N 3.17Å
160A96.4Very high95.7Very high0 Ų016.7 Ų16.70%011%0.111CC..EExtended strand (participates in β ladder)trans-117.695.4177.700000109.6T165 I275 S301 G302 G303 S304 T305A160-T165 HydrophobicContact CB-CG2 3.96Å; A160-I275 HydrophobicContact CB-CD1 4.19Å; A160-S301 PolarHBondContact N-O 2.76Å; A160-G302 CarbonylContact O-C 3.36Å; A160-G302 VanDerWaalsContact O-C 3.24Å; A160-G302 WeakPolarHBondContact O-CA 3.04Å; A160-G303 PolarHBondContact O-N 3.45Å; A160-S304 WeakPolarHBondContact O-CB 3.46Å; A160-S304 PolarHBondContact O-N 2.87Å; A160-T305 HydrophobicContact CB-CG2 3.75Å
161G95.2Very high95.9Very high18 Ų1818.6 Ų18.619%0.18611%0.114CC..  trans-86.6-153.1-178.200000113.6V164 G187 S304G161-V164 PolarHBondContact N-O 2.98Å; G161-G187 PolarHBondContact O-N 3.07Å; G161-S304 PolarHBondContact O-OG 3.41Å
162D95.4Very high95.9Very high27 Ų2720.8 Ų20.814%0.14411%0.105CC..SBendtrans-85.2-38.5173-172.958.8000112.3G19 A186 G187 R188G19-D162 WeakPolarHBondContact CA-OD2 3.27Å; D162-A186 WeakPolarHBondContact O-CB 3.35Å; D162-G187 PolarHBondContact O-N 3.07Å; D162-R188 WeakPolarHBondContact O-CB 3.31Å; D162-R188 PolarHBondContact O-N 3.48Å; D162-R188 PolarHBondContact OD1-N 2.91Å; D162-R188 IonicContact OD2-CZ 3.05Å; D162-R188 VanDerWaalsContact OD2-CZ 3.29Å; D162-R188 IonicContact OD2-NE 2.7Å; D162-R188 PolarHBondContact OD2-NE 3.38Å; D162-R188 IonicContact OD2-NH2 3.94Å; D162-R188 PolarHBondContact OD2-NH2 3.37Å
163G93.7Very high95.6Very high1 Ų118.2 Ų18.21%0.0110%0.1CC..SBendtrans-104.1-30.1-17600000115.2H77H77-G163 VanDerWaalsContact CA-O 3.31Å; H77-G163 WeakPolarHBondContact CA-O 3.47Å; H77-G163 PolarHBondContact ND1-O 2.76Å
164V95.2Very high95.5Very high5 Ų521.8 Ų21.83%0.0311%0.109CC..  trans-139.1147-171.664.10000110.4A113 G161 R182 A186A113-V164 HydrophobicContact CB-CG1 4.22Å; G161-V164 PolarHBondContact N-O 2.98Å; V164-R182 HydrophobicContact CG2-CG 3.76Å; V164-A186 VanDerWaalsContact N-CB 3.28Å
165T96Very high95.4Very high1 Ų121.5 Ų21.51%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-116.8133.4165-57.10000109.7L158 D159 A160 V183 I185 I275L158-T165 HydrophobicContact CD1-CG2 3.97Å; D159-T165 CarbonylContact O-C 3.49Å; D159-T165 VanDerWaalsContact O-CA 3.31Å; D159-T165 WeakPolarHBondContact O-CA 3.43Å; A160-T165 HydrophobicContact CB-CG2 3.96Å; T165-V183 PolarHBondContact N-O 3.05Å; T165-V183 PolarHBondContact O-N 3.27Å; T165-V183 VanDerWaalsContact O-O 3.09Å; T165-I185 WeakPolarHBondContact CB-O 3.49Å; T165-I185 PolarHBondContact OG1-O 3.06Å; T165-I275 HydrophobicContact CG2-CD1 3.79Å; T165-I275 HydrophobicContact CG2-CG1 3.79Å
166H96.4Very high95.3Very high0 Ų022.5 Ų22.50%011%0.114CC..EExtended strand (participates in β ladder)trans-141.1146.5177.858.6-93.1000112.3P114 D159 M181P114-H166 VanDerWaalsContact CD-CE1 3.47Å; P114-H166 WeakPolarHBondContact CD-CE1 3.36Å; P114-H166 HydrophobicContact CG-CB 3.63Å; P114-H166 VanDerWaalsContact CG-CD2 3.44Å; P114-H166 WeakPolarHBondContact CG-CD2 3.5Å; D159-H166 VanDerWaalsContact CB-CE1 3.49Å; D159-H166 WeakPolarHBondContact CB-CE1 3.33Å; D159-H166 WeakPolarHBondContact CB-NE2 3.28Å; D159-H166 PolarHBondContact N-O 3.23Å; D159-H166 PolarHBondContact O-N 3.4Å; D159-H166 IonicContact OD2-CE1 3.57Å; D159-H166 PolarHBondContact OD2-CE1 3.19Å; D159-H166 IonicContact OD2-ND1 2.7Å; D159-H166 IonicContact OD2-NE2 3.39Å; H166-M181 CarbonylContact C-O 3.59Å; H166-M181 WeakPolarHBondContact CA-O 3.33Å; H166-M181 WeakPolarHBondContact CB-O 3.43Å
167A97.8Very high95.1Very high0 Ų026.2 Ų26.20%014%0.139CC..EExtended strand (participates in β ladder)trans-113.4116.4169.300000108.7V156 V157 L158 M181 V278 L279 A282V156-A167 HydrophobicContact CG1-CB 4.35Å; V157-A167 WeakPolarHBondContact O-CA 3.44Å; L158-A167 HydrophobicContact CD1-CB 4.28Å; A167-M181 PolarHBondContact N-O 3.42Å; A167-M181 PolarHBondContact O-N 3.2Å; A167-V278 HydrophobicContact CB-CG1 3.86Å; A167-L279 HydrophobicContact CB-CD1 4.4Å; A167-A282 HydrophobicContact CB-CB 3.69Å
168V97.6Very high94.9Very high0 Ų031.9 Ų31.90%017%0.165CC..EExtended strand (participates in β ladder)trans-119110.1-177.7175.60000108.4P114 M141 A143 V157 I170 A175 I180P114-V168 HydrophobicContact CB-CG2 4.14Å; P114-V168 HydrophobicContact CG-CG2 4.08Å; M141-V168 HydrophobicContact SD-CG1 4.27Å; M141-V168 HydrophobicContact SD-CG2 4.43Å; A143-V168 HydrophobicContact CB-CB 3.54Å; A143-V168 HydrophobicContact CB-CG1 3.95Å; A143-V168 HydrophobicContact CB-CG2 3.76Å; V157-V168 PolarHBondContact N-O 3.32Å; V157-V168 PolarHBondContact O-N 2.73Å; V168-I170 HydrophobicContact CG1-CD1 4.41Å; V168-I170 HydrophobicContact CG1-CG1 3.97Å; V168-A175 HydrophobicContact CG1-CB 3.95Å; V168-I180 HydrophobicContact CG1-CD1 4.42Å; V168-I180 HydrophobicContact CG1-CG1 4.21Å; V168-I180 HydrophobicContact CG2-CD1 4.42Å; V168-I180 HydrophobicContact CG2-CG1 4.14Å; V168-I180 HydrophobicContact CG2-CG2 3.92Å
169P97.6Very high94.8Very high0 Ų031.9 Ų31.90%017%0.165CC..EExtended strand (participates in β ladder)trans-76.6132.6170.926.6-24.5000110.1V156 I176 S179 S286 L294V156-P169 HydrophobicContact CG2-CB 4.05Å; P169-I176 HydrophobicContact CB-CD1 4.37Å; P169-I176 HydrophobicContact CG-CB 4.25Å; P169-I176 PolarHBondContact O-N 2.95Å; P169-S179 WeakPolarHBondContact CD-O 3.4Å; P169-S179 VanDerWaalsContact CG-CB 3.4Å; P169-S286 WeakPolarHBondContact CG-OG 3.25Å; P169-L294 HydrophobicContact CB-CD1 3.93Å; P169-L294 HydrophobicContact CB-CD2 4.26Å
170I97Very high94.9Very high2 Ų232.3 Ų32.31%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-127.8132.2-176.6-57.4164.6000107.9A143 V144 L147 T154 G155 V157 V168 F174 A175A143-I170 WeakPolarHBondContact O-CD1 3.44Å; V144-I170 HydrophobicContact CG2-CD1 4.12Å; V144-I170 HydrophobicContact CG2-CG1 4.5Å; L147-I170 HydrophobicContact CB-CD1 3.91Å; L147-I170 HydrophobicContact CD2-CB 3.68Å; L147-I170 HydrophobicContact CD2-CD1 3.71Å; L147-I170 HydrophobicContact CD2-CG1 4.29Å; L147-I170 HydrophobicContact CD2-CG2 3.68Å; L147-I170 HydrophobicContact CG-CD1 4.44Å; T154-I170 CarbonylContact C-O 3.58Å; T154-I170 WeakPolarHBondContact CA-O 3.39Å; G155-I170 PolarHBondContact N-O 2.94Å; G155-I170 PolarHBondContact O-N 3.41Å; G155-I170 VanDerWaalsContact O-O 3.08Å; V157-I170 HydrophobicContact CG2-CD1 4.15Å; V168-I170 HydrophobicContact CG1-CD1 4.41Å; V168-I170 HydrophobicContact CG1-CG1 3.97Å; I170-F174 CarbonylContact C-O 3.59Å; I170-F174 WeakPolarHBondContact CA-O 3.45Å; I170-A175 HydrophobicContact CG1-CB 4.44Å
171Y95.4Very high94.9Very high86 Ų8633 Ų3334%0.33717%0.171SC..EExtended strand (participates in β ladder)trans-128.7124.5177.3-174.8-97.6000109.7T154 G173 F174 L290T154-Y171 HydrophobicContact CG2-CD2 3.81Å; T154-Y171 HydrophobicContact CG2-CE2 4.03Å; T154-Y171 HydrophobicContact CG2-CG 4.44Å; Y171-G173 PolarHBondContact O-N 2.9Å; Y171-G173 VanDerWaalsContact O-N 3.1Å; Y171-F174 PolarHBondContact N-O 3.12Å; Y171-F174 PolarHBondContact O-N 3.04Å; Y171-L290 HydrophobicContact CD2-CD1 4.19Å; Y171-L290 HydrophobicContact CD2-CD2 3.47Å; Y171-L290 VanDerWaalsContact CD2-CD2 3.47Å; Y171-L290 HydrophobicContact CD2-CG 4.4Å; Y171-L290 HydrophobicContact CE2-CD2 3.38Å; Y171-L290 HydrophobicContact CG-CD1 4.16Å; Y171-L290 HydrophobicContact CG-CD2 4.13Å
172E92.4Very high94.9Very high118 Ų11834.5 Ų34.555%0.55117%0.171SC*.THydrogen-bonded Turntrans49.637.2179.8-67.2180-17300114T153 T154 F174T153-E172 PolarHBondContact O-N 2.74Å; T153-E172 VanDerWaalsContact O-N 3.16Å; T154-E172 HydrophobicContact CG2-CG 4.15Å; E172-F174 WeakPolarHBondContact O-CD2 3.4Å
173G87.4Confident94.9Very high14 Ų1433.6 Ų33.614%0.14417%0.166CC..THydrogen-bonded Turntrans87.6-4.5179.800000115.2T153 Y171T153-G173 PolarHBondContact O-N 3.2Å; Y171-G173 PolarHBondContact O-N 2.9Å; Y171-G173 VanDerWaalsContact O-N 3.1Å
174F90Very high94.9Very high151 Ų15136.8 Ų36.866%0.66218%0.183SC*.EExtended strand (participates in β ladder)trans-104.2127.2178-62.7-84.9000111.3I170 Y171 E172I170-F174 CarbonylContact C-O 3.59Å; I170-F174 WeakPolarHBondContact CA-O 3.45Å; Y171-F174 PolarHBondContact N-O 3.12Å; Y171-F174 PolarHBondContact O-N 3.04Å; E172-F174 WeakPolarHBondContact O-CD2 3.4Å
175A93.9Very high94.9Very high22 Ų2236.8 Ų36.818%0.18218%0.183CC..EExtended strand (participates in β ladder)trans-71.3137.3171.500000109.8M141 V144 V168 I170 P177M141-A175 HydrophobicContact CE-CB 3.97Å; M141-A175 HydrophobicContact SD-CB 4.44Å; V144-A175 HydrophobicContact CG2-CB 4.01Å; V168-A175 HydrophobicContact CG1-CB 3.95Å; I170-A175 HydrophobicContact CG1-CB 4.44Å; A175-P177 WeakPolarHBondContact O-CD 3.22Å
176I94.8Very high94.9Very high20 Ų2036.7 Ų36.710%0.10318%0.182CC..  trans-89.798.8179-55.6176.5000108.6P169 H178 S179 I180 L290P169-I176 HydrophobicContact CB-CD1 4.37Å; P169-I176 HydrophobicContact CG-CB 4.25Å; P169-I176 PolarHBondContact O-N 2.95Å; I176-H178 WeakPolarHBondContact CG2-CE1 3.36Å; I176-H178 WeakPolarHBondContact CG2-NE2 3.41Å; I176-H178 PolarHBondContact O-N 3.13Å; I176-S179 PolarHBondContact O-N 3.21Å; I176-S179 VanDerWaalsContact O-N 3.11Å; I176-I180 PolarHBondContact O-N 3.38Å; I176-L290 HydrophobicContact CD1-CD1 3.82Å
177P92.3Very high94.9Very high79 Ų7936.8 Ų36.851%0.51318%0.183SC..G310 helixtrans-67.7-36.2-161.4-22.436.4000113.8A175 S179 I180A175-P177 WeakPolarHBondContact O-CD 3.22Å; P177-S179 PolarHBondContact O-N 3.21Å; P177-I180 WeakPolarHBondContact O-CG1 3.32Å; P177-I180 PolarHBondContact O-N 3.09Å
178H94.3Very high94.8Very high119 Ų11937.2 Ų37.255%0.55118%0.184SC*.G310 helixtrans-71.2-16.4179.864.4-95.9000113.4I176I176-H178 WeakPolarHBondContact CG2-CE1 3.36Å; I176-H178 WeakPolarHBondContact CG2-NE2 3.41Å; I176-H178 PolarHBondContact O-N 3.13Å
179S96.6Very high94.8Very high0 Ų038 Ų380%019%0.189CC..G310 helixtrans-101.63.7-179.7-67.80000112.9P169 I176 P177 M181 A282 K285 S286P169-S179 WeakPolarHBondContact CD-O 3.4Å; P169-S179 VanDerWaalsContact CG-CB 3.4Å; I176-S179 PolarHBondContact O-N 3.21Å; I176-S179 VanDerWaalsContact O-N 3.11Å; P177-S179 PolarHBondContact O-N 3.21Å; S179-M181 PolarHBondContact O-N 2.97Å; S179-A282 WeakPolarHBondContact O-CA 3.47Å; S179-A282 WeakPolarHBondContact O-CB 3.32Å; S179-K285 PolarHBondContact OG-O 2.76Å; S179-S286 WeakPolarHBondContact CB-OG 3.44Å; S179-S286 WeakPolarHBondContact OG-CA 3.41Å; S179-S286 PolarHBondContact OG-N 3.45Å; S179-S286 VanDerWaalsContact OG-N 3.13Å; S179-S286 PolarHBondContact OG-OG 3.44Å
180I96.8Very high94.7Very high15 Ų1538 Ų388%0.07719%0.189CC..  trans-69.7125.8174.1-62.3178.1000109.1P114 L115 M141 V168 I176 P177P114-I180 HydrophobicContact CB-CD1 4.45Å; P114-I180 HydrophobicContact CB-CG2 3.97Å; P114-I180 HydrophobicContact CG-CG2 4.44Å; L115-I180 HydrophobicContact CD1-CB 4.48Å; L115-I180 HydrophobicContact CD1-CG2 3.92Å; L115-I180 HydrophobicContact CG-CG2 4.01Å; M141-I180 HydrophobicContact CE-CD1 4.39Å; M141-I180 HydrophobicContact SD-CD1 4.14Å; V168-I180 HydrophobicContact CG1-CD1 4.42Å; V168-I180 HydrophobicContact CG1-CG1 4.21Å; V168-I180 HydrophobicContact CG2-CD1 4.42Å; V168-I180 HydrophobicContact CG2-CG1 4.14Å; V168-I180 HydrophobicContact CG2-CG2 3.92Å; I176-I180 PolarHBondContact O-N 3.38Å; P177-I180 WeakPolarHBondContact O-CG1 3.32Å; P177-I180 PolarHBondContact O-N 3.09Å
181M97.1Very high94.7Very high15 Ų1538 Ų387%0.07419%0.189CC..EExtended strand (participates in β ladder)trans-109.8136.7170.7-63-63.8-65.300109.3H166 A167 S179 V278 F281 A282 K285H166-M181 CarbonylContact C-O 3.59Å; H166-M181 WeakPolarHBondContact CA-O 3.33Å; H166-M181 WeakPolarHBondContact CB-O 3.43Å; A167-M181 PolarHBondContact N-O 3.42Å; A167-M181 PolarHBondContact O-N 3.2Å; S179-M181 PolarHBondContact O-N 2.97Å; M181-V278 HydrophobicContact CB-CG1 3.64Å; M181-F281 HydrophobicContact CE-CB 4.05Å; M181-F281 HydrophobicContact CE-CD2 4.25Å; M181-F281 HydrophobicContact CG-CB 4.29Å; M181-F281 HydrophobicContact SD-CB 4.36Å; M181-A282 HydrophobicContact CB-CB 4.21Å; M181-A282 HydrophobicContact CG-CB 3.73Å; M181-K285 HydrophobicContact SD-CD 3.77Å; M181-K285 VanDerWaalsContact SD-CE 3.58Å; M181-K285 PolarHBondContact SD-NZ 2.74Å
182R95Very high94.8Very high49 Ų4937.8 Ų37.819%0.18519%0.188CC..EExtended strand (participates in β ladder)trans-137.2135.2-179172.7-179.7166.1153.4-0.5109H77 P114 L115 V164 D184H77-R182 PolarHBondContact O-NH2 3.29Å; P114-R182 PolarHBondContact O-NH1 3.18Å; L115-R182 HydrophobicContact CD1-CB 4.28Å; V164-R182 HydrophobicContact CG2-CG 3.76Å; R182-D184 IonicContact CZ-OD1 3.78Å; R182-D184 IonicContact NE-OD1 3.89Å; R182-D184 PolarHBondContact NE-OD1 3.1Å; R182-D184 IonicContact NH2-OD1 2.68Å; R182-D184 PolarHBondContact NH2-OD1 2.62Å; R182-D184 IonicContact NH2-OD2 2.78Å
183V95.4Very high95Very high9 Ų933.3 Ų33.36%0.05517%0.166CC..EExtended strand (participates in β ladder)trans-131.8137.7171.61790000108.6T165 I185 V278T165-V183 PolarHBondContact N-O 3.05Å; T165-V183 PolarHBondContact O-N 3.27Å; T165-V183 VanDerWaalsContact O-O 3.09Å; V183-I185 HydrophobicContact CG1-CB 3.87Å; V183-I185 HydrophobicContact CG1-CD1 3.97Å; V183-I185 HydrophobicContact CG1-CG1 3.82Å; V183-I185 PolarHBondContact O-N 2.82Å; V183-I185 VanDerWaalsContact O-N 3.15Å; V183-V278 HydrophobicContact CB-CG2 4.33Å; V183-V278 HydrophobicContact CG2-CG2 3.33Å
184D94.6Very high95.4Very high67 Ų6732.7 Ų32.736%0.35816%0.159SC..SBendtrans-8732.6-178.8-72.7-12.9000111.6H77 R182H77-D184 HydrophobicContact CB-CB 4.06Å; H77-D184 PolarHBondContact CE1-O 3.46Å; H77-D184 PolarHBondContact ND1-O 3.23Å; R182-D184 IonicContact CZ-OD1 3.78Å; R182-D184 IonicContact NE-OD1 3.89Å; R182-D184 PolarHBondContact NE-OD1 3.1Å; R182-D184 IonicContact NH2-OD1 2.68Å; R182-D184 PolarHBondContact NH2-OD1 2.62Å; R182-D184 IonicContact NH2-OD2 2.78Å
185I94.9Very high95.7Very high5 Ų529.5 Ų29.53%0.02614%0.142CC..  trans-114.5121173.6-60.8173.3000108.6T165 V183 D189 L261 L262 P265 D270T165-I185 WeakPolarHBondContact CB-O 3.49Å; T165-I185 PolarHBondContact OG1-O 3.06Å; V183-I185 HydrophobicContact CG1-CB 3.87Å; V183-I185 HydrophobicContact CG1-CD1 3.97Å; V183-I185 HydrophobicContact CG1-CG1 3.82Å; V183-I185 PolarHBondContact O-N 2.82Å; V183-I185 VanDerWaalsContact O-N 3.15Å; I185-D189 WeakPolarHBondContact CA-OD2 3.28Å; I185-D189 HydrophobicContact CG2-CB 4.33Å; I185-L261 HydrophobicContact CG2-CG 4.15Å; I185-L262 HydrophobicContact CG2-CD2 4.41Å; I185-P265 HydrophobicContact CD1-CB 3.37Å; I185-P265 HydrophobicContact CD1-CG 3.49Å; I185-P265 VanDerWaalsContact CD1-CG 3.49Å; I185-D270 HydrophobicContact CD1-CB 4.25Å
186A95.6Very high95.8Very high0 Ų032.5 Ų32.50%016%0.155CC..SBendtrans-153.7-158.8-175.700000112.7D162 V164 R188 D189 V190D162-A186 WeakPolarHBondContact O-CB 3.35Å; V164-A186 VanDerWaalsContact N-CB 3.28Å; A186-R188 VanDerWaalsContact C-N 3.25Å; A186-R188 PolarHBondContact O-N 3.2Å; A186-D189 PolarHBondContact N-OD2 3.1Å; A186-D189 PolarHBondContact O-N 3.41Å; A186-V190 WeakPolarHBondContact O-CG2 3.44Å; A186-V190 PolarHBondContact O-N 3.35Å; A186-V190 VanDerWaalsContact O-N 3.13Å
187G96.1Very high95.8Very high1 Ų132.1 Ų32.11%0.0115%0.153CC..Hα-helixtrans-59.7-29.8-174.100000114.9G161 D162 S191 K218 S304G161-G187 PolarHBondContact O-N 3.07Å; D162-G187 PolarHBondContact O-N 3.07Å; G187-S191 PolarHBondContact O-N 3.47Å; G187-S191 PolarHBondContact O-OG 3.29Å; G187-S191 VanDerWaalsContact O-OG 3.08Å; G187-K218 PolarHBondContact O-NZ 3.47Å; G187-S304 WeakPolarHBondContact CA-OG 3.23Å; G187-S304 PolarHBondContact N-OG 3.28Å
188R96Very high95.9Very high9 Ų928.4 Ų28.43%0.03413%0.129CC..Hα-helixtrans-73.5-40.5178.4-170.5175.3-62.7172.51111.3S18 M75 D162 A186 V190 S191 R192 F211S18-R188 PolarHBondContact O-NH2 3.22Å; M75-R188 PolarHBondContact O-NH1 3.01Å; D162-R188 WeakPolarHBondContact O-CB 3.31Å; D162-R188 PolarHBondContact O-N 3.48Å; D162-R188 PolarHBondContact OD1-N 2.91Å; D162-R188 IonicContact OD2-CZ 3.05Å; D162-R188 VanDerWaalsContact OD2-CZ 3.29Å; D162-R188 IonicContact OD2-NE 2.7Å; D162-R188 PolarHBondContact OD2-NE 3.38Å; D162-R188 IonicContact OD2-NH2 3.94Å; D162-R188 PolarHBondContact OD2-NH2 3.37Å; A186-R188 VanDerWaalsContact C-N 3.25Å; A186-R188 PolarHBondContact O-N 3.2Å; R188-V190 VanDerWaalsContact C-N 3.32Å; R188-S191 WeakPolarHBondContact O-CB 3.35Å; R188-S191 PolarHBondContact O-N 3.14Å; R188-R192 VanDerWaalsContact CD-NH2 3.28Å; R188-R192 WeakPolarHBondContact O-CG 3.26Å; R188-R192 PolarHBondContact O-N 3.26Å; R188-F211 HydrophobicContact CG-CE1 4.32Å; R188-F211 HydrophobicContact CG-CZ 4.19Å
189D96.7Very high95.9Very high17 Ų1729.8 Ų29.89%0.09113%0.129CC..Hα-helixtrans-64-41.2175.5-51.8-67.5000110.5H77 I185 A186 S191 R192 Y193 L261H77-D189 IonicContact CE1-OD1 2.67Å; I185-D189 WeakPolarHBondContact CA-OD2 3.28Å; I185-D189 HydrophobicContact CG2-CB 4.33Å; A186-D189 PolarHBondContact N-OD2 3.1Å; A186-D189 PolarHBondContact O-N 3.41Å; D189-S191 VanDerWaalsContact C-N 3.35Å; D189-S191 PolarHBondContact O-N 3.34Å; D189-R192 PolarHBondContact O-N 2.9Å; D189-R192 IonicContact OD1-CZ 3.29Å; D189-R192 IonicContact OD1-NH1 2.74Å; D189-R192 PolarHBondContact OD1-NH1 3.44Å; D189-Y193 WeakPolarHBondContact O-CB 3.46Å; D189-Y193 PolarHBondContact O-N 2.68Å; D189-L261 HydrophobicContact CB-CD2 3.94Å
190V97.3Very high95.7Very high1 Ų137.3 Ų37.31%0.00616%0.162CC..Hα-helixtrans-59.9-43.9171.6177.70000111.3A186 R188 Y193 L194 K218 A258 L261 L262A186-V190 WeakPolarHBondContact O-CG2 3.44Å; A186-V190 PolarHBondContact O-N 3.35Å; A186-V190 VanDerWaalsContact O-N 3.13Å; R188-V190 VanDerWaalsContact C-N 3.32Å; V190-Y193 PolarHBondContact O-N 2.93Å; V190-L194 WeakPolarHBondContact O-CB 3.35Å; V190-L194 PolarHBondContact O-N 3.22Å; V190-K218 HydrophobicContact CB-CD 4.15Å; V190-K218 HydrophobicContact CG1-CD 3.73Å; V190-K218 HydrophobicContact CG1-CG 4.08Å; V190-A258 HydrophobicContact CG1-CB 4.35Å; V190-L261 HydrophobicContact CG2-CB 4.39Å; V190-L261 HydrophobicContact CG2-CD2 4.28Å; V190-L262 HydrophobicContact CG2-CD1 4.23Å; V190-L262 HydrophobicContact CG2-CD2 3.56Å; V190-L262 HydrophobicContact CG2-CG 3.65Å
191S97Very high95.3Very high1 Ų139.9 Ų39.91%0.00717%0.174CC..Hα-helixtrans-63.4-40.5175.4-62.70000112.2G187 R188 D189 L194 R195 V214 K218G187-S191 PolarHBondContact O-N 3.47Å; G187-S191 PolarHBondContact O-OG 3.29Å; G187-S191 VanDerWaalsContact O-OG 3.08Å; R188-S191 WeakPolarHBondContact O-CB 3.35Å; R188-S191 PolarHBondContact O-N 3.14Å; D189-S191 VanDerWaalsContact C-N 3.35Å; D189-S191 PolarHBondContact O-N 3.34Å; S191-L194 PolarHBondContact O-N 3.43Å; S191-R195 PolarHBondContact O-N 3.2Å; S191-V214 WeakPolarHBondContact O-CG1 3.49Å; S191-K218 WeakPolarHBondContact OG-CE 3.27Å; S191-K218 PolarHBondContact OG-NZ 3.45Å
192R96.3Very high95Very high82 Ų8242.3 Ų42.331%0.30920%0.203SC..Hα-helixtrans-65.8-40.4176.1-69.7-173.7-157.2114.9-9.6111.7R188 D189 R195 L196 F211R188-R192 VanDerWaalsContact CD-NH2 3.28Å; R188-R192 WeakPolarHBondContact O-CG 3.26Å; R188-R192 PolarHBondContact O-N 3.26Å; D189-R192 PolarHBondContact O-N 2.9Å; D189-R192 IonicContact OD1-CZ 3.29Å; D189-R192 IonicContact OD1-NH1 2.74Å; D189-R192 PolarHBondContact OD1-NH1 3.44Å; R192-R195 WeakPolarHBondContact O-CB 3.01Å; R192-R195 PolarHBondContact O-N 3.42Å; R192-L196 PolarHBondContact O-N 2.85Å; R192-L196 VanDerWaalsContact O-N 3.12Å; R192-F211 HydrophobicContact CB-CE2 4.42Å; R192-F211 HydrophobicContact CG-CE2 3.72Å; R192-F211 HydrophobicContact CG-CZ 3.71Å
193Y96.9Very high94.8Very high24 Ų2443.8 Ų43.89%0.09421%0.209CC..Hα-helixtrans-68.9-41.1177.1-176.3-129.2000111.5D189 V190 R195 L196 L197 R257 A258 L261 L267 I268D189-Y193 WeakPolarHBondContact O-CB 3.46Å; D189-Y193 PolarHBondContact O-N 2.68Å; V190-Y193 PolarHBondContact O-N 2.93Å; Y193-R195 VanDerWaalsContact C-N 3.32Å; Y193-R195 PolarHBondContact O-N 3.47Å; Y193-L196 HydrophobicContact CD2-CD2 4.42Å; Y193-L196 WeakPolarHBondContact O-CB 3.32Å; Y193-L196 PolarHBondContact O-N 3.08Å; Y193-L196 VanDerWaalsContact O-N 3.09Å; Y193-L197 HydrophobicContact CD1-CD1 4.2Å; Y193-L197 HydrophobicContact CD2-CG 4.5Å; Y193-L197 HydrophobicContact CE1-CD1 3.82Å; Y193-L197 HydrophobicContact CE1-CG 4.38Å; Y193-L197 HydrophobicContact CE2-CD2 4.1Å; Y193-L197 HydrophobicContact CE2-CG 4.19Å; Y193-L197 WeakPolarHBondContact O-CG 3.49Å; Y193-L197 PolarHBondContact O-N 3.11Å; Y193-R257 WeakPolarHBondContact CE1-O 3.03Å; Y193-A258 HydrophobicContact CD1-CB 4.38Å; Y193-L261 HydrophobicContact CD1-CB 4.05Å; Y193-L261 HydrophobicContact CD1-CD2 4.35Å; Y193-L261 HydrophobicContact CG-CD2 4.31Å; Y193-L267 HydrophobicContact CE1-CB 4.41Å; Y193-L267 HydrophobicContact CE1-CD1 4.24Å; Y193-I268 HydrophobicContact CD2-CG2 3.75Å; Y193-I268 HydrophobicContact CE2-CG2 4.34Å; Y193-I268 HydrophobicContact CG-CG2 4.05Å
194L96.7Very high94.7Very high0 Ų047.2 Ų47.20%023%0.227CC..Hα-helixtrans-58.2-43.9172.3-179.360.6000111.6V190 S191 L196 L197 L198 V214 I217 K218 A254 A258V190-L194 WeakPolarHBondContact O-CB 3.35Å; V190-L194 PolarHBondContact O-N 3.22Å; S191-L194 PolarHBondContact O-N 3.43Å; L194-L196 VanDerWaalsContact C-N 3.28Å; L194-L196 PolarHBondContact O-N 2.93Å; L194-L197 PolarHBondContact O-N 3.41Å; L194-L197 VanDerWaalsContact O-N 3.16Å; L194-L198 HydrophobicContact CD1-CD1 4.26Å; L194-L198 HydrophobicContact CD1-CG 4.18Å; L194-L198 HydrophobicContact CG-CD1 3.98Å; L194-L198 HydrophobicContact CG-CG 4.35Å; L194-L198 WeakPolarHBondContact O-CG 3.16Å; L194-L198 PolarHBondContact O-N 2.83Å; L194-V214 HydrophobicContact CB-CG1 4Å; L194-V214 HydrophobicContact CD2-CG1 3.85Å; L194-V214 HydrophobicContact CG-CG1 3.86Å; L194-I217 HydrophobicContact CD2-CB 4.45Å; L194-I217 HydrophobicContact CD2-CG2 4.12Å; L194-K218 HydrophobicContact CD2-CB 3.79Å; L194-A254 HydrophobicContact CD1-CB 4Å; L194-A258 HydrophobicContact CB-CB 3.76Å; L194-A258 HydrophobicContact CD1-CB 3.84Å; L194-A258 HydrophobicContact CG-CB 4.33Å
195R96.5Very high94.7Very high84 Ų8445.1 Ų45.132%0.31721%0.214SC..Hα-helixtrans-56.9-43.1174.4-175.8177.369.1163.82.5111.9S191 R192 Y193 R199 F205 V214S191-R195 PolarHBondContact O-N 3.2Å; R192-R195 WeakPolarHBondContact O-CB 3.01Å; R192-R195 PolarHBondContact O-N 3.42Å; Y193-R195 VanDerWaalsContact C-N 3.32Å; Y193-R195 PolarHBondContact O-N 3.47Å; R195-R199 WeakPolarHBondContact O-CB 3.49Å; R195-R199 PolarHBondContact O-N 3.09Å; R195-F205 VanDerWaalsContact CD-O 3.25Å; R195-F205 WeakPolarHBondContact CD-O 3.23Å; R195-F205 HydrophobicContact CG-CB 4.28Å; R195-V214 HydrophobicContact CB-CG1 4.07Å; R195-V214 HydrophobicContact CB-CG2 4.27Å; R195-V214 HydrophobicContact CG-CG2 4.36Å
196L95.5Very high94.5Very high85 Ų8551.3 Ų51.345%0.44524%0.243SC..Hα-helixtrans-65-40.4177.1-179.664.3000111.9R192 Y193 L194 R199 K200R192-L196 PolarHBondContact O-N 2.85Å; R192-L196 VanDerWaalsContact O-N 3.12Å; Y193-L196 HydrophobicContact CD2-CD2 4.42Å; Y193-L196 WeakPolarHBondContact O-CB 3.32Å; Y193-L196 PolarHBondContact O-N 3.08Å; Y193-L196 VanDerWaalsContact O-N 3.09Å; L194-L196 VanDerWaalsContact C-N 3.28Å; L194-L196 PolarHBondContact O-N 2.93Å; L196-R199 PolarHBondContact O-N 3.02Å; L196-K200 PolarHBondContact O-N 3.41Å
197L94.8Very high94.4Very high13 Ų1353 Ų537%0.06825%0.254CS..Hα-helixtrans-66.6-44.9176.9-66.6179.2000111.9Y193 L194 R199 K200 E201 A254 R257 A258Y193-L197 HydrophobicContact CD1-CD1 4.2Å; Y193-L197 HydrophobicContact CD2-CG 4.5Å; Y193-L197 HydrophobicContact CE1-CD1 3.82Å; Y193-L197 HydrophobicContact CE1-CG 4.38Å; Y193-L197 HydrophobicContact CE2-CD2 4.1Å; Y193-L197 HydrophobicContact CE2-CG 4.19Å; Y193-L197 WeakPolarHBondContact O-CG 3.49Å; Y193-L197 PolarHBondContact O-N 3.11Å; L194-L197 PolarHBondContact O-N 3.41Å; L194-L197 VanDerWaalsContact O-N 3.16Å; L197-R199 PolarHBondContact O-N 3.24Å; L197-K200 HydrophobicContact CD2-CD 4.49Å; L197-K200 WeakPolarHBondContact O-CA 3.27Å; L197-K200 WeakPolarHBondContact O-CB 3.39Å; L197-K200 PolarHBondContact O-N 2.8Å; L197-E201 PolarHBondContact O-N 2.73Å; L197-E201 VanDerWaalsContact O-N 3.09Å; L197-A254 HydrophobicContact CB-CB 3.85Å; L197-A254 HydrophobicContact CD1-CB 4.25Å; L197-R257 HydrophobicContact CD1-CB 3.85Å; L197-A258 HydrophobicContact CD1-CB 4.14Å
198L94.5Very high94.1Very high0 Ų054.9 Ų54.90%027%0.266CS..Hα-helixtrans-60.4-36.5176.2-69.9171.8000111.6L194 K200 E201 G202 Y203 F205 V214 I217 L249L194-L198 HydrophobicContact CD1-CD1 4.26Å; L194-L198 HydrophobicContact CD1-CG 4.18Å; L194-L198 HydrophobicContact CG-CD1 3.98Å; L194-L198 HydrophobicContact CG-CG 4.35Å; L194-L198 WeakPolarHBondContact O-CG 3.16Å; L194-L198 PolarHBondContact O-N 2.83Å; L198-K200 VanDerWaalsContact C-N 3.33Å; L198-K200 PolarHBondContact O-N 3.47Å; L198-E201 CarbonylContact O-C 3.44Å; L198-E201 WeakPolarHBondContact O-CA 3.25Å; L198-E201 PolarHBondContact O-N 2.84Å; L198-E201 VanDerWaalsContact O-N 3.09Å; L198-G202 PolarHBondContact O-N 2.82Å; L198-G202 VanDerWaalsContact O-N 3.14Å; L198-Y203 CarbonylContact C-O 3.53Å; L198-Y203 PolarHBondContact O-N 2.89Å; L198-F205 HydrophobicContact CB-CD2 4.5Å; L198-F205 HydrophobicContact CB-CE2 4.4Å; L198-F205 HydrophobicContact CD1-CD2 4.26Å; L198-F205 HydrophobicContact CD1-CE2 3.91Å; L198-V214 HydrophobicContact CD1-CG1 4.37Å; L198-I217 HydrophobicContact CD1-CD1 4.39Å; L198-L249 HydrophobicContact CD2-CD2 4.3Å
199R94.4Very high93.8Very high149 Ų14954.8 Ų54.856%0.56227%0.268SS*.Hα-helixtrans-63.1-37.5173.4-167.5175.8-168.5-152.4-0.5112.7R195 L196 L197 E201 G202 Y203 D204R195-R199 WeakPolarHBondContact O-CB 3.49Å; R195-R199 PolarHBondContact O-N 3.09Å; L196-R199 PolarHBondContact O-N 3.02Å; L197-R199 PolarHBondContact O-N 3.24Å; R199-E201 VanDerWaalsContact C-N 3.27Å; R199-E201 PolarHBondContact O-N 2.9Å; R199-G202 PolarHBondContact O-N 3.04Å; R199-Y203 VanDerWaalsContact CA-O 3.27Å; R199-Y203 WeakPolarHBondContact CA-O 3.22Å; R199-Y203 PolarHBondContact N-O 3.47Å; R199-D204 HydrophobicContact CG-CB 4.4Å; R199-D204 IonicContact CZ-OD2 3.39Å; R199-D204 IonicContact NE-OD1 3.73Å; R199-D204 PolarHBondContact NE-OD1 3.12Å; R199-D204 IonicContact NE-OD2 2.79Å; R199-D204 PolarHBondContact NE-OD2 2.97Å; R199-D204 IonicContact NH2-OD2 3.05Å; R199-D204 PolarHBondContact NH2-OD2 3.13Å
200K92.1Very high93.6Very high158 Ų15856.7 Ų56.769%0.68728%0.276SS*.Hα-helixtrans-66.9-29.3173.2-67.9177.7178.9-179.10112.4L196 L197 L198 G202L196-K200 PolarHBondContact O-N 3.41Å; L197-K200 HydrophobicContact CD2-CD 4.49Å; L197-K200 WeakPolarHBondContact O-CA 3.27Å; L197-K200 WeakPolarHBondContact O-CB 3.39Å; L197-K200 PolarHBondContact O-N 2.8Å; L198-K200 VanDerWaalsContact C-N 3.33Å; L198-K200 PolarHBondContact O-N 3.47Å; K200-G202 VanDerWaalsContact C-N 3.27Å
201E89Confident93.5Very high69 Ų6957.6 Ų57.632%0.32228%0.28SS..THydrogen-bonded Turntrans-80.3-6.5175.1-65.9179.9173.800112.9L197 L198 R199 Y203 P253 A254L197-E201 PolarHBondContact O-N 2.73Å; L197-E201 VanDerWaalsContact O-N 3.09Å; L198-E201 CarbonylContact O-C 3.44Å; L198-E201 WeakPolarHBondContact O-CA 3.25Å; L198-E201 PolarHBondContact O-N 2.84Å; L198-E201 VanDerWaalsContact O-N 3.09Å; R199-E201 VanDerWaalsContact C-N 3.27Å; R199-E201 PolarHBondContact O-N 2.9Å; E201-Y203 HydrophobicContact CB-CD2 4.25Å; E201-P253 WeakPolarHBondContact OE1-CD 3.43Å; E201-A254 WeakPolarHBondContact OE1-CB 3.47Å; E201-A254 PolarHBondContact OE1-N 2.81Å
202G90.2Very high93.3Very high66 Ų6657.7 Ų57.768%0.6828%0.28SS*.THydrogen-bonded Turntrans107.5-0175.600000115.1L198 R199 K200L198-G202 PolarHBondContact O-N 2.82Å; L198-G202 VanDerWaalsContact O-N 3.14Å; R199-G202 PolarHBondContact O-N 3.04Å; K200-G202 VanDerWaalsContact C-N 3.27Å
203Y91.3Very high93.2Very high79 Ų7954.4 Ų54.431%0.3127%0.269SS..  trans-103.9105.6-179.1-55.9-79.6000110.8L198 R199 E201 L249L198-Y203 CarbonylContact C-O 3.53Å; L198-Y203 PolarHBondContact O-N 2.89Å; R199-Y203 VanDerWaalsContact CA-O 3.27Å; R199-Y203 WeakPolarHBondContact CA-O 3.22Å; R199-Y203 PolarHBondContact N-O 3.47Å; E201-Y203 HydrophobicContact CB-CD2 4.25Å; Y203-L249 HydrophobicContact CD1-CD1 3.34Å; Y203-L249 HydrophobicContact CD2-CD1 3.24Å; Y203-L249 HydrophobicContact CE1-CD1 3.44Å; Y203-L249 VanDerWaalsContact CE1-CD1 3.44Å; Y203-L249 HydrophobicContact CE2-CD1 3.33Å; Y203-L249 HydrophobicContact CG-CD1 3.22Å; Y203-L249 VanDerWaalsContact CZ-CD1 3.43Å
204D92.9Very high93.2Very high82 Ų8253.2 Ų53.244%0.43927%0.265SS..  trans-96.3113.2-177.4-157.1-8.2000112R199R199-D204 HydrophobicContact CG-CB 4.4Å; R199-D204 IonicContact CZ-OD2 3.39Å; R199-D204 IonicContact NE-OD1 3.73Å; R199-D204 PolarHBondContact NE-OD1 3.12Å; R199-D204 IonicContact NE-OD2 2.79Å; R199-D204 PolarHBondContact NE-OD2 2.97Å; R199-D204 IonicContact NH2-OD2 3.05Å; R199-D204 PolarHBondContact NH2-OD2 3.13Å
205F93.6Very high93.1Very high22 Ų2255.2 Ų55.210%0.09627%0.272CS..  trans-107.2110.7171.9-62.5-73.3000108.2R195 L198 E210 V214 L243R195-F205 VanDerWaalsContact CD-O 3.25Å; R195-F205 WeakPolarHBondContact CD-O 3.23Å; R195-F205 HydrophobicContact CG-CB 4.28Å; L198-F205 HydrophobicContact CB-CD2 4.5Å; L198-F205 HydrophobicContact CB-CE2 4.4Å; L198-F205 HydrophobicContact CD1-CD2 4.26Å; L198-F205 HydrophobicContact CD1-CE2 3.91Å; F205-E210 HydrophobicContact CB-CB 3.99Å; F205-E210 HydrophobicContact CD1-CB 3.94Å; F205-E210 HydrophobicContact CD1-CG 4.18Å; F205-E210 HydrophobicContact CG-CB 4.43Å; F205-V214 HydrophobicContact CB-CG2 3.96Å; F205-V214 HydrophobicContact CD2-CG2 3.69Å; F205-V214 HydrophobicContact CE2-CG2 4.34Å; F205-V214 HydrophobicContact CG-CG2 3.83Å; F205-L243 HydrophobicContact CE1-CD2 4.37Å; F205-L243 HydrophobicContact CZ-CD1 4.37Å; F205-L243 HydrophobicContact CZ-CD2 4.16Å
206H91.6Very high92.9Very high136 Ų13652.4 Ų52.463%0.6326%0.264SS*.  trans-114-28.7-171.262.4-74.9000112.8E210H206-E210 IonicContact CE1-OE1 3.22Å; H206-E210 IonicContact CE1-OE2 2.81Å; H206-E210 IonicContact CG-OE2 2.79Å; H206-E210 PolarHBondContact N-OE2 3.27Å; H206-E210 IonicContact ND1-OE2 3.9Å; H206-E210 PolarHBondContact ND1-OE2 3.12Å
207T92.1Very high92.9Very high36 Ų3648.4 Ų48.422%0.22124%0.243CC..SBendtrans-81.2159-17774.40000112.7A209 E210 F211T207-A209 VanDerWaalsContact C-N 3.26Å; T207-A209 PolarHBondContact O-N 3.03Å; T207-E210 PolarHBondContact N-OE2 3.13Å; T207-E210 PolarHBondContact O-N 2.97Å; T207-E210 WeakPolarHBondContact OG1-CB 3.41Å; T207-E210 WeakPolarHBondContact OG1-CG 3.45Å; T207-E210 PolarHBondContact OG1-N 2.58Å; T207-E210 VanDerWaalsContact OG1-N 3.13Å; T207-E210 PolarHBondContact OG1-OE2 3.3Å; T207-F211 PolarHBondContact O-N 3.15Å; T207-F211 VanDerWaalsContact O-N 3.07Å
208S91.3Very high92.9Very high39 Ų3948.4 Ų48.427%0.27324%0.243SC..Hα-helixtrans-66.5-27.3174.852.20000113.3V71 F211V71-S208 PolarHBondContact N-OG 3.12Å; S208-F211 WeakPolarHBondContact O-CB 3.49Å
209A89.5Confident92.9Very high8 Ų853.8 Ų53.87%0.06627%0.268CS..Hα-helixtrans-73.5-39.4175.100000111.8R66 T207 F211 E212R66-A209 HydrophobicContact CB-CB 4.29Å; R66-A209 HydrophobicContact CG-CB 4.46Å; R66-A209 WeakPolarHBondContact O-CB 3.41Å; T207-A209 VanDerWaalsContact C-N 3.26Å; T207-A209 PolarHBondContact O-N 3.03Å; A209-F211 VanDerWaalsContact C-N 3.27Å; A209-F211 PolarHBondContact O-N 3.42Å; A209-E212 WeakPolarHBondContact O-CB 3.4Å; A209-E212 PolarHBondContact O-N 2.85Å
210E92.1Very high92.8Very high57 Ų5755 Ų5527%0.26627%0.273SS..Hα-helixtrans-66.8-29.7174.1-74162.4179.100112.1F205 H206 T207 E212 V213 V214F205-E210 HydrophobicContact CB-CB 3.99Å; F205-E210 HydrophobicContact CD1-CB 3.94Å; F205-E210 HydrophobicContact CD1-CG 4.18Å; F205-E210 HydrophobicContact CG-CB 4.43Å; H206-E210 IonicContact CE1-OE1 3.22Å; H206-E210 IonicContact CE1-OE2 2.81Å; H206-E210 IonicContact CG-OE2 2.79Å; H206-E210 PolarHBondContact N-OE2 3.27Å; H206-E210 IonicContact ND1-OE2 3.9Å; H206-E210 PolarHBondContact ND1-OE2 3.12Å; T207-E210 PolarHBondContact N-OE2 3.13Å; T207-E210 PolarHBondContact O-N 2.97Å; T207-E210 WeakPolarHBondContact OG1-CB 3.41Å; T207-E210 WeakPolarHBondContact OG1-CG 3.45Å; T207-E210 PolarHBondContact OG1-N 2.58Å; T207-E210 VanDerWaalsContact OG1-N 3.13Å; T207-E210 PolarHBondContact OG1-OE2 3.3Å; E210-E212 PolarHBondContact O-N 2.9Å; E210-V213 WeakPolarHBondContact O-CA 3.45Å; E210-V213 VanDerWaalsContact O-CB 3.27Å; E210-V213 WeakPolarHBondContact O-CB 3.33Å; E210-V213 PolarHBondContact O-N 3Å; E210-V214 PolarHBondContact O-N 3.42Å; E210-V214 VanDerWaalsContact O-N 3.12Å
211F94.8Very high92.8Very high19 Ų1948 Ų488%0.08324%0.244CC..Hα-helixtrans-57.7-34.9174-172.7-111.2000112.5R188 R192 T207 S208 A209 V213 V214 R215R188-F211 HydrophobicContact CG-CE1 4.32Å; R188-F211 HydrophobicContact CG-CZ 4.19Å; R192-F211 HydrophobicContact CB-CE2 4.42Å; R192-F211 HydrophobicContact CG-CE2 3.72Å; R192-F211 HydrophobicContact CG-CZ 3.71Å; T207-F211 PolarHBondContact O-N 3.15Å; T207-F211 VanDerWaalsContact O-N 3.07Å; S208-F211 WeakPolarHBondContact O-CB 3.49Å; A209-F211 VanDerWaalsContact C-N 3.27Å; A209-F211 PolarHBondContact O-N 3.42Å; F211-V213 VanDerWaalsContact C-N 3.3Å; F211-V213 PolarHBondContact O-N 3.17Å; F211-V214 WeakPolarHBondContact O-CB 3.14Å; F211-V214 PolarHBondContact O-N 3.45Å; F211-R215 PolarHBondContact O-N 3.37Å
212E93.9Very high93.1Very high3 Ų344.9 Ų44.91%0.01423%0.23CC..Hα-helixtrans-67.5-30.4173.6-68.4-50.6105.400113.1Y38 Y73 A209 E210 V214 R215 T216Y38-E212 HydrophobicContact CE1-CG 4.41Å; Y73-E212 VanDerWaalsContact OH-CD 3.23Å; Y73-E212 PolarHBondContact OH-OE1 2.93Å; A209-E212 WeakPolarHBondContact O-CB 3.4Å; A209-E212 PolarHBondContact O-N 2.85Å; E210-E212 PolarHBondContact O-N 2.9Å; E212-V214 VanDerWaalsContact C-N 3.35Å; E212-R215 PolarHBondContact O-N 3Å; E212-R215 IonicContact OE2-CZ 2.73Å; E212-R215 IonicContact OE2-NE 3.53Å; E212-R215 PolarHBondContact OE2-NE 3.35Å; E212-R215 IonicContact OE2-NH2 3.83Å; E212-R215 PolarHBondContact OE2-NH2 3.42Å; E212-R215 VanDerWaalsContact OE2-NH2 3.12Å; E212-T216 PolarHBondContact O-N 3.11Å; E212-T216 PolarHBondContact O-OG1 3.38Å
213V93.8Very high93.2Very high13 Ų1344.3 Ų44.38%0.07921%0.208CC..Hα-helixtrans-66-42.9173.4-175.80000109.4E210 F211 R215 T216 I217 L243 P244E210-V213 WeakPolarHBondContact O-CA 3.45Å; E210-V213 VanDerWaalsContact O-CB 3.27Å; E210-V213 WeakPolarHBondContact O-CB 3.33Å; E210-V213 PolarHBondContact O-N 3Å; F211-V213 VanDerWaalsContact C-N 3.3Å; F211-V213 PolarHBondContact O-N 3.17Å; V213-R215 VanDerWaalsContact C-N 3.34Å; V213-R215 PolarHBondContact O-N 2.74Å; V213-T216 WeakPolarHBondContact O-CB 3.34Å; V213-T216 PolarHBondContact O-N 3.04Å; V213-T216 VanDerWaalsContact O-N 3.13Å; V213-I217 HydrophobicContact CG1-CD1 4.15Å; V213-I217 VanDerWaalsContact O-CG1 3.32Å; V213-I217 WeakPolarHBondContact O-CG1 3.48Å; V213-I217 PolarHBondContact O-N 3.38Å; V213-L243 HydrophobicContact CG1-CD2 3.67Å; V213-P244 HydrophobicContact CG1-CG 4.4Å; V213-P244 HydrophobicContact CG2-CG 4.12Å
214V95.8Very high93.4Very high0 Ų040.9 Ų40.90%020%0.195CC..Hα-helixtrans-61.4-41.1174.6-177.40000111.7S191 L194 R195 L198 F205 E210 F211 E212 T216 I217 K218S191-V214 WeakPolarHBondContact O-CG1 3.49Å; L194-V214 HydrophobicContact CB-CG1 4Å; L194-V214 HydrophobicContact CD2-CG1 3.85Å; L194-V214 HydrophobicContact CG-CG1 3.86Å; R195-V214 HydrophobicContact CB-CG1 4.07Å; R195-V214 HydrophobicContact CB-CG2 4.27Å; R195-V214 HydrophobicContact CG-CG2 4.36Å; L198-V214 HydrophobicContact CD1-CG1 4.37Å; F205-V214 HydrophobicContact CB-CG2 3.96Å; F205-V214 HydrophobicContact CD2-CG2 3.69Å; F205-V214 HydrophobicContact CE2-CG2 4.34Å; F205-V214 HydrophobicContact CG-CG2 3.83Å; E210-V214 PolarHBondContact O-N 3.42Å; E210-V214 VanDerWaalsContact O-N 3.12Å; F211-V214 WeakPolarHBondContact O-CB 3.14Å; F211-V214 PolarHBondContact O-N 3.45Å; E212-V214 VanDerWaalsContact C-N 3.35Å; V214-T216 VanDerWaalsContact C-N 3.33Å; V214-T216 PolarHBondContact O-N 3.27Å; V214-I217 WeakPolarHBondContact O-CB 3.42Å; V214-I217 PolarHBondContact O-N 3.13Å; V214-K218 PolarHBondContact O-N 3.27Å
215R95.1Very high93.3Very high42 Ų4237.3 Ų37.316%0.15818%0.176CC..Hα-helixtrans-59.6-43.3173.1-176.1-175.464.580.4-4.6111.7F211 E212 V213 I217 K218 E219F211-R215 PolarHBondContact O-N 3.37Å; E212-R215 PolarHBondContact O-N 3Å; E212-R215 IonicContact OE2-CZ 2.73Å; E212-R215 IonicContact OE2-NE 3.53Å; E212-R215 PolarHBondContact OE2-NE 3.35Å; E212-R215 IonicContact OE2-NH2 3.83Å; E212-R215 PolarHBondContact OE2-NH2 3.42Å; E212-R215 VanDerWaalsContact OE2-NH2 3.12Å; V213-R215 VanDerWaalsContact C-N 3.34Å; V213-R215 PolarHBondContact O-N 2.74Å; R215-I217 VanDerWaalsContact C-N 3.34Å; R215-I217 PolarHBondContact O-N 2.86Å; R215-K218 WeakPolarHBondContact O-CB 3.36Å; R215-K218 PolarHBondContact O-N 3.22Å; R215-E219 WeakPolarHBondContact CG-OE1 3.36Å; R215-E219 IonicContact CZ-OE1 2.95Å; R215-E219 VanDerWaalsContact NH1-CD 3.34Å; R215-E219 IonicContact NH1-OE1 3.34Å; R215-E219 PolarHBondContact NH1-OE1 3Å; R215-E219 IonicContact NH1-OE2 3.43Å; R215-E219 PolarHBondContact NH1-OE2 2.78Å; R215-E219 WeakPolarHBondContact O-CG 3.49Å; R215-E219 PolarHBondContact O-N 2.9Å; R215-E219 VanDerWaalsContact O-N 3.09Å
216T93.8Very high93.1Very high25 Ų2540.4 Ų40.415%0.15319%0.193CC..Hα-helixtrans-64.2-39.6177.5-50.70000111.5E212 V213 V214 E219 R220 Y241E212-T216 PolarHBondContact O-N 3.11Å; E212-T216 PolarHBondContact O-OG1 3.38Å; V213-T216 WeakPolarHBondContact O-CB 3.34Å; V213-T216 PolarHBondContact O-N 3.04Å; V213-T216 VanDerWaalsContact O-N 3.13Å; V214-T216 VanDerWaalsContact C-N 3.33Å; V214-T216 PolarHBondContact O-N 3.27Å; T216-E219 PolarHBondContact O-N 2.9Å; T216-R220 PolarHBondContact O-N 2.85Å; T216-R220 VanDerWaalsContact O-N 3.13Å; T216-Y241 WeakPolarHBondContact CG2-OH 3.39Å
217I94.6Very high92.8Very high0 Ų037.7 Ų37.70%018%0.183CC..Hα-helixtrans-61.5-45.8174.5-68.6163.6000110.3L194 L198 V213 V214 R215 E219 R220 A221 Y241 L243 L249 I251L194-I217 HydrophobicContact CD2-CB 4.45Å; L194-I217 HydrophobicContact CD2-CG2 4.12Å; L198-I217 HydrophobicContact CD1-CD1 4.39Å; V213-I217 HydrophobicContact CG1-CD1 4.15Å; V213-I217 VanDerWaalsContact O-CG1 3.32Å; V213-I217 WeakPolarHBondContact O-CG1 3.48Å; V213-I217 PolarHBondContact O-N 3.38Å; V214-I217 WeakPolarHBondContact O-CB 3.42Å; V214-I217 PolarHBondContact O-N 3.13Å; R215-I217 VanDerWaalsContact C-N 3.34Å; R215-I217 PolarHBondContact O-N 2.86Å; I217-E219 VanDerWaalsContact C-N 3.33Å; I217-E219 PolarHBondContact O-N 3.22Å; I217-R220 PolarHBondContact O-N 3.18Å; I217-A221 HydrophobicContact CG2-CB 4.36Å; I217-A221 WeakPolarHBondContact O-CB 3.47Å; I217-A221 PolarHBondContact O-N 3.31Å; I217-Y241 HydrophobicContact CD1-CD1 4.26Å; I217-Y241 HydrophobicContact CD1-CE1 4.26Å; I217-Y241 HydrophobicContact CG1-CD1 3.75Å; I217-Y241 HydrophobicContact CG1-CD2 4.47Å; I217-Y241 HydrophobicContact CG1-CE1 3.55Å; I217-Y241 HydrophobicContact CG1-CE2 4.3Å; I217-Y241 HydrophobicContact CG1-CG 4.22Å; I217-L243 HydrophobicContact CD1-CD2 4.24Å; I217-L249 HydrophobicContact CD1-CD2 3.64Å; I217-I251 HydrophobicContact CG2-CD1 3.35Å; I217-I251 HydrophobicContact CG2-CG1 4.39Å
218K95.6Very high92.2Very high14 Ų1436.8 Ų36.86%0.06118%0.178CC..Hα-helixtrans-53.2-50.8175.6177.8-163.366.2177.90111.2G187 V190 S191 L194 V214 R215 R220 C222G187-K218 PolarHBondContact O-NZ 3.47Å; V190-K218 HydrophobicContact CB-CD 4.15Å; V190-K218 HydrophobicContact CG1-CD 3.73Å; V190-K218 HydrophobicContact CG1-CG 4.08Å; S191-K218 WeakPolarHBondContact OG-CE 3.27Å; S191-K218 PolarHBondContact OG-NZ 3.45Å; L194-K218 HydrophobicContact CD2-CB 3.79Å; V214-K218 PolarHBondContact O-N 3.27Å; R215-K218 WeakPolarHBondContact O-CB 3.36Å; R215-K218 PolarHBondContact O-N 3.22Å; K218-R220 VanDerWaalsContact C-N 3.34Å; K218-R220 PolarHBondContact O-N 2.91Å; K218-C222 WeakPolarHBondContact O-CB 3.48Å; K218-C222 PolarHBondContact O-N 3.08Å
219E93.7Very high91.7Very high113 Ų11341.8 Ų41.853%0.52820%0.197SC..Hα-helixtrans-65.9-34.1-175.9-71.6168.5-16400113.2R215 T216 I217R215-E219 WeakPolarHBondContact CG-OE1 3.36Å; R215-E219 IonicContact CZ-OE1 2.95Å; R215-E219 VanDerWaalsContact NH1-CD 3.34Å; R215-E219 IonicContact NH1-OE1 3.34Å; R215-E219 PolarHBondContact NH1-OE1 3Å; R215-E219 IonicContact NH1-OE2 3.43Å; R215-E219 PolarHBondContact NH1-OE2 2.78Å; R215-E219 WeakPolarHBondContact O-CG 3.49Å; R215-E219 PolarHBondContact O-N 2.9Å; R215-E219 VanDerWaalsContact O-N 3.09Å; T216-E219 PolarHBondContact O-N 2.9Å; I217-E219 VanDerWaalsContact C-N 3.33Å; I217-E219 PolarHBondContact O-N 3.22Å
220R92.9Very high91.4Very high174 Ų17447.6 Ų47.666%0.65722%0.221SC*.Hα-helixtrans-91.9-41.4-174.9-68.2179.4175.9-171.7-0.1114.1T216 I217 K218 Y241T216-R220 PolarHBondContact O-N 2.85Å; T216-R220 VanDerWaalsContact O-N 3.13Å; I217-R220 PolarHBondContact O-N 3.18Å; K218-R220 VanDerWaalsContact C-N 3.34Å; K218-R220 PolarHBondContact O-N 2.91Å; R220-Y241 HydrophobicContact CB-CE2 4.24Å
221A92.1Very high90.9Very high11 Ų1146.6 Ų46.69%0.09122%0.218CC..Hα-helixtrans-104.5-23.8-166.600000114.4I217 I251 R255I217-A221 HydrophobicContact CG2-CB 4.36Å; I217-A221 WeakPolarHBondContact O-CB 3.47Å; I217-A221 PolarHBondContact O-N 3.31Å; A221-I251 HydrophobicContact CB-CD1 3.65Å; A221-R255 PolarHBondContact O-NE 2.88Å; A221-R255 PolarHBondContact O-NH2 2.92Å; A221-R255 VanDerWaalsContact O-NH2 3.11Å
222C94.1Very high90Very high4 Ų451.1 Ų51.13%0.02724%0.239CC..  trans-80.3151.9-174.7-64.30000113.2K218 R255 P259 L307K218-C222 WeakPolarHBondContact O-CB 3.48Å; K218-C222 PolarHBondContact O-N 3.08Å; C222-R255 WeakPolarHBondContact CA-O 3.41Å; C222-R255 WeakPolarHBondContact CB-O 3.48Å; C222-R255 PolarHBondContact SG-O 3.13Å; C222-R255 VanDerWaalsContact SG-O 3.42Å; C222-P259 HydrophobicContact CB-CG 3.71Å; C222-L307 HydrophobicContact CB-CD2 4.08Å
223Y93.8Very high89.1Confident53 Ų5356.6 Ų56.621%0.20827%0.273CS..BIsolated β-bridgetrans-149.4159174.968-88.7000110.1R255 F256Y223-R255 HydrophobicContact CD1-CG 4.17Å; Y223-R255 HydrophobicContact CE1-CG 3.69Å; Y223-R255 PolarHBondContact N-O 3.28Å; Y223-F256 HydrophobicContact CD2-CB 4.36Å; Y223-F256 HydrophobicContact CE1-CB 4.19Å; Y223-F256 HydrophobicContact CE2-CB 3.88Å; Y223-F256 WeakPolarHBondContact O-CA 3.41Å
224L93.8Very high88.2Confident8 Ų861.4 Ų61.44%0.04230%0.297CS..  trans-97.4129.5173.1-82.3160.8000110P259 F263 L307 K308 F310L224-P259 HydrophobicContact CD2-CB 3.5Å; L224-P259 VanDerWaalsContact CD2-CB 3.5Å; L224-P259 HydrophobicContact CG-CB 3.66Å; L224-F263 HydrophobicContact CD1-CE2 3.71Å; L224-F263 HydrophobicContact CD1-CZ 4.48Å; L224-F263 HydrophobicContact CD2-CD2 3.87Å; L224-F263 HydrophobicContact CD2-CE2 3.76Å; L224-F263 HydrophobicContact CG-CE2 4.38Å; L224-L307 HydrophobicContact CD1-CB 4.16Å; L224-L307 HydrophobicContact CD1-CD1 4.31Å; L224-K308 PolarHBondContact N-O 3.15Å; L224-F310 HydrophobicContact CD1-CB 3.83Å; L224-F310 HydrophobicContact CD1-CD2 3.47Å; L224-F310 VanDerWaalsContact CD1-CD2 3.47Å; L224-F310 HydrophobicContact CD1-CE2 4.43Å; L224-F310 HydrophobicContact CD1-CG 4.06Å
225S90.9Very high86.8Confident7 Ų770.8 Ų70.85%0.04934%0.341CS..  trans-84.8146.6174.2-175.10000110.8N227 D231 R313S225-N227 VanDerWaalsContact C-N 3.33Å; S225-N227 PolarHBondContact OG-N 3.38Å; S225-N227 PolarHBondContact OG-O 2.97Å; S225-D231 WeakPolarHBondContact CB-OD2 3.42Å; S225-D231 PolarHBondContact OG-OD1 3.03Å; S225-D231 PolarHBondContact OG-OD2 3.45Å; S225-R313 WeakPolarHBondContact O-CD 3.02Å
226L89.1Confident85.4Confident86 Ų8670.5 Ų70.545%0.4534%0.344SS..SBendtrans-69.3-34.1169-80.2168.5000111.8D312 R313L226-D312 HydrophobicContact CD2-CB 4Å; L226-R313 PolarHBondContact O-NH1 2.84Å
227N86.1Confident84.2Confident79 Ų7977.4 Ų77.442%0.42238%0.375SS..  trans-138.586-176.3-71.7-47.9000109.7S225 Q229 K230 D231S225-N227 VanDerWaalsContact C-N 3.33Å; S225-N227 PolarHBondContact OG-N 3.38Å; S225-N227 PolarHBondContact OG-O 2.97Å; N227-Q229 PolarHBondContact O-N 3.15Å; N227-Q229 VanDerWaalsContact O-N 3.12Å; N227-K230 HydrophobicContact CB-CB 4.2Å; N227-K230 HydrophobicContact CB-CD 4.12Å; N227-K230 HydrophobicContact CB-CG 4.09Å; N227-K230 PolarHBondContact O-N 3.4Å; N227-D231 PolarHBondContact O-N 3Å
228P79.3Confident83.4Confident18 Ų1884.4 Ų84.412%0.11741%0.405CS..Hα-helixtrans-58.8-31.9-174.822.5-34.5000112.9K230 D231 E232 E260P228-K230 VanDerWaalsContact C-N 3.31Å; P228-K230 PolarHBondContact O-N 3.48Å; P228-D231 PolarHBondContact O-N 2.93Å; P228-E232 WeakPolarHBondContact O-CB 3.46Å; P228-E232 PolarHBondContact O-N 3.4Å; P228-E260 HydrophobicContact CB-CG 4.25Å
229Q81.6Confident82.8Confident143 Ų14384.9 Ų84.967%0.66841%0.412SS*.Hα-helixtrans-62.9-34.8176.6-69177.6-20.900113.1N227 T233N227-Q229 PolarHBondContact O-N 3.15Å; N227-Q229 VanDerWaalsContact O-N 3.12Å; Q229-T233 WeakPolarHBondContact O-CG2 3.2Å
230K82.6Confident82.6Confident131 Ų13186.6 Ų86.657%0.5742%0.42SS*.Hα-helixtrans-75-44.1178.4-69-172.1177.7-174.90110.6N227 P228 E232 T233 L234N227-K230 HydrophobicContact CB-CB 4.2Å; N227-K230 HydrophobicContact CB-CD 4.12Å; N227-K230 HydrophobicContact CB-CG 4.09Å; N227-K230 PolarHBondContact O-N 3.4Å; P228-K230 VanDerWaalsContact C-N 3.31Å; P228-K230 PolarHBondContact O-N 3.48Å; K230-E232 PolarHBondContact O-N 3.12Å; K230-T233 PolarHBondContact O-N 2.87Å; K230-T233 VanDerWaalsContact O-N 3.08Å; K230-T233 PolarHBondContact O-OG1 3.16Å; K230-L234 PolarHBondContact O-N 3.37Å
231D80.8Confident82.4Confident36 Ų3679.6 Ų79.619%0.19339%0.394CS..Hα-helixtrans-65.2-26.9179.1-71.519.6000112S225 N227 P228 T236 F256S225-D231 WeakPolarHBondContact CB-OD2 3.42Å; S225-D231 PolarHBondContact OG-OD1 3.03Å; S225-D231 PolarHBondContact OG-OD2 3.45Å; N227-D231 PolarHBondContact O-N 3Å; P228-D231 PolarHBondContact O-N 2.93Å; D231-T236 PolarHBondContact O-OG1 3.09Å; D231-F256 HydrophobicContact CB-CD2 4.46Å; D231-F256 HydrophobicContact CB-CE2 4.19Å; D231-F256 HydrophobicContact CB-CZ 4.25Å
232E76.8Confident82.4Confident113 Ų11383.4 Ų83.453%0.52842%0.416SS..Hα-helixtrans-72.4-29.5173.7-174.2162.8-138.500113.5P228 K230 R257P228-E232 WeakPolarHBondContact O-CB 3.46Å; P228-E232 PolarHBondContact O-N 3.4Å; K230-E232 PolarHBondContact O-N 3.12Å; E232-R257 IonicContact OE1-CZ 3.6Å; E232-R257 IonicContact OE1-NE 2.81Å; E232-R257 IonicContact OE1-NH2 3.76Å; E232-R257 PolarHBondContact OE1-NH2 2.92Å
233T74.9Confident82.3Confident119 Ų11984.3 Ų84.373%0.7342%0.42SS*.Hα-helixtrans-82.8-22.517756.80000113.7Q229 K230Q229-T233 WeakPolarHBondContact O-CG2 3.2Å; K230-T233 PolarHBondContact O-N 2.87Å; K230-T233 VanDerWaalsContact O-N 3.08Å; K230-T233 PolarHBondContact O-OG1 3.16Å
234L75.9Confident81.9Confident113 Ų11386 Ų8659%0.59244%0.438SS*.SBendtrans-82.5129175.2-69.4163.6000108.1K230 T236K230-L234 PolarHBondContact O-N 3.37Å; L234-T236 PolarHBondContact O-N 3.44Å; L234-T236 PolarHBondContact O-OG1 3.06Å
235E66Low81.6Confident198 Ų19891.4 Ų91.493%0.92547%0.467SS*.  trans-60.2102.7172.6-165.1169.5-158.500108E237E235-E237 PolarHBondContact O-N 3.2Å
236T64.8Low81.5Confident36 Ų3693.7 Ų93.722%0.22149%0.491CS..PPolyproline II helixtrans-71126.5-170.3-61.90000109.2D231 L234 K238 F256D231-T236 PolarHBondContact O-OG1 3.09Å; L234-T236 PolarHBondContact O-N 3.44Å; L234-T236 PolarHBondContact O-OG1 3.06Å; T236-K238 PolarHBondContact O-N 3.2Å; T236-K238 VanDerWaalsContact O-N 3.15Å; T236-F256 HydrophobicContact CG2-CD1 4.49Å; T236-F256 HydrophobicContact CG2-CE1 4.18Å
237E69.3Low81.6Confident170 Ų17091.9 Ų91.979%0.79449%0.486SS*.PPolyproline II helixtrans-56.2119.3170.6-68.5-177.6169.100109.9E235 A239E235-E237 PolarHBondContact O-N 3.2Å; E237-A239 PolarHBondContact O-N 3.33Å
238K78.1Confident81.8Confident146 Ų14692.3 Ų92.364%0.63549%0.491SS*.PPolyproline II helixtrans-67.3119.5176.3-64.6-178.5-179.7-176.30108.6T236 D250T236-K238 PolarHBondContact O-N 3.2Å; T236-K238 VanDerWaalsContact O-N 3.15Å; K238-D250 HydrophobicContact CB-CB 4.36Å; K238-D250 HydrophobicContact CD-CB 4.2Å
239A83.2Confident82.4Confident25 Ų2591.4 Ų91.421%0.20749%0.486CS..EExtended strand (participates in β ladder)trans-85.8122.1174.600000109.4E237 I251E237-A239 PolarHBondContact O-N 3.33Å; A239-I251 PolarHBondContact N-O 2.91Å; A239-I251 PolarHBondContact O-N 3.02Å
240Q87.8Confident82.8Confident148 Ų14887.1 Ų87.169%0.69247%0.467SS*.EExtended strand (participates in β ladder)trans-75.9134.4173.8-80.7178.60.500111.4L249 D250Q240-L249 CarbonylContact C-O 3.6Å; Q240-L249 WeakPolarHBondContact CA-O 3.2Å; Q240-D250 WeakPolarHBondContact CG-OD1 3.43Å
241Y90.3Very high83.1Confident27 Ų2780.9 Ų80.911%0.10644%0.44CS..EExtended strand (participates in β ladder)trans-128.3128.1175.9-176.4-89.4000110.5T216 I217 R220 L243 L249 I251T216-Y241 WeakPolarHBondContact CG2-OH 3.39Å; I217-Y241 HydrophobicContact CD1-CD1 4.26Å; I217-Y241 HydrophobicContact CD1-CE1 4.26Å; I217-Y241 HydrophobicContact CG1-CD1 3.75Å; I217-Y241 HydrophobicContact CG1-CD2 4.47Å; I217-Y241 HydrophobicContact CG1-CE1 3.55Å; I217-Y241 HydrophobicContact CG1-CE2 4.3Å; I217-Y241 HydrophobicContact CG1-CG 4.22Å; R220-Y241 HydrophobicContact CB-CE2 4.24Å; Y241-L243 HydrophobicContact CD1-CD2 4.15Å; Y241-L243 HydrophobicContact CE1-CD2 4.16Å; Y241-L249 PolarHBondContact N-O 2.95Å; Y241-L249 PolarHBondContact O-N 3.48Å; Y241-I251 HydrophobicContact CG-CD1 4.2Å
242T92.2Very high83.3Confident92 Ų9279.4 Ų79.456%0.56443%0.433SS*.EExtended strand (participates in β ladder)trans-87121.8177.1-44.70000110.6S247T242-S247 CarbonylContact C-O 3.54Å; T242-S247 WeakPolarHBondContact CA-O 3.5Å
243L90.3Very high83.9Confident22 Ų2275.8 Ų75.812%0.11542%0.42CS..  trans-75.2161.9176.1-69.3176.9000111.2F205 V213 I217 Y241 D245 G246 S247 L249F205-L243 HydrophobicContact CE1-CD2 4.37Å; F205-L243 HydrophobicContact CZ-CD1 4.37Å; F205-L243 HydrophobicContact CZ-CD2 4.16Å; V213-L243 HydrophobicContact CG1-CD2 3.67Å; I217-L243 HydrophobicContact CD1-CD2 4.24Å; Y241-L243 HydrophobicContact CD1-CD2 4.15Å; Y241-L243 HydrophobicContact CE1-CD2 4.16Å; L243-D245 WeakPolarHBondContact CB-OD1 3.38Å; L243-D245 PolarHBondContact O-N 3.09Å; L243-D245 VanDerWaalsContact O-N 3.14Å; L243-G246 PolarHBondContact O-N 3.09Å; L243-S247 VanDerWaalsContact CD1-OG 3.28Å; L243-S247 WeakPolarHBondContact CD1-OG 3.32Å; L243-S247 PolarHBondContact N-O 3.44Å; L243-L249 HydrophobicContact CD1-CB 4.45Å; L243-L249 HydrophobicContact CD2-CD2 4.49Å; L243-L249 HydrophobicContact CG-CB 4.32Å
244P86.9Confident84.7Confident88 Ų8870.2 Ų70.257%0.57139%0.385SS*.THydrogen-bonded Turntrans-61.3-20.3-179.5-23.434.1000114.9V213 G246V213-P244 HydrophobicContact CG1-CG 4.4Å; V213-P244 HydrophobicContact CG2-CG 4.12Å; P244-G246 VanDerWaalsContact C-N 3.3Å
245D86.1Confident85.4Confident123 Ų12367.4 Ų67.466%0.65837%0.367SS*.THydrogen-bonded Turntrans-84.7-2.6175.463.4-2.3000113.2L243 S247L243-D245 WeakPolarHBondContact CB-OD1 3.38Å; L243-D245 PolarHBondContact O-N 3.09Å; L243-D245 VanDerWaalsContact O-N 3.14Å; D245-S247 VanDerWaalsContact CG-OG 3.28Å; D245-S247 WeakPolarHBondContact OD1-CB 3.02Å; D245-S247 PolarHBondContact OD1-N 3.02Å; D245-S247 PolarHBondContact OD1-OG 3.2Å; D245-S247 PolarHBondContact OD2-OG 3.11Å
246G89.4Confident86.7Confident54 Ų5458.1 Ų58.156%0.55732%0.323SS*.SBendtrans88.8-5.9-177.200000114.6L243 P244L243-G246 PolarHBondContact O-N 3.09Å; P244-G246 VanDerWaalsContact C-N 3.3Å
247S90.9Very high88Confident49 Ų4960.6 Ų60.634%0.34333%0.329SS..  trans-70.8154.7175.1680000111.4T242 L243 D245T242-S247 CarbonylContact C-O 3.54Å; T242-S247 WeakPolarHBondContact CA-O 3.5Å; L243-S247 VanDerWaalsContact CD1-OG 3.28Å; L243-S247 WeakPolarHBondContact CD1-OG 3.32Å; L243-S247 PolarHBondContact N-O 3.44Å; D245-S247 VanDerWaalsContact CG-OG 3.28Å; D245-S247 WeakPolarHBondContact OD1-CB 3.02Å; D245-S247 PolarHBondContact OD1-N 3.02Å; D245-S247 PolarHBondContact OD1-OG 3.2Å; D245-S247 PolarHBondContact OD2-OG 3.11Å
248T91.3Very high89.3Confident87 Ų8752.5 Ų52.553%0.53429%0.291SS..EExtended strand (participates in β ladder)trans-106.1134.6179.148.30000110.8
249L90.9Very high90.1Very high0 Ų045.5 Ų45.50%026%0.261CS..EExtended strand (participates in β ladder)trans-113.1122.5-179.8174.771.2000108.6L198 Y203 I217 Q240 Y241 L243 I251L198-L249 HydrophobicContact CD2-CD2 4.3Å; Y203-L249 HydrophobicContact CD1-CD1 3.34Å; Y203-L249 HydrophobicContact CD2-CD1 3.24Å; Y203-L249 HydrophobicContact CE1-CD1 3.44Å; Y203-L249 VanDerWaalsContact CE1-CD1 3.44Å; Y203-L249 HydrophobicContact CE2-CD1 3.33Å; Y203-L249 HydrophobicContact CG-CD1 3.22Å; Y203-L249 VanDerWaalsContact CZ-CD1 3.43Å; I217-L249 HydrophobicContact CD1-CD2 3.64Å; Q240-L249 CarbonylContact C-O 3.6Å; Q240-L249 WeakPolarHBondContact CA-O 3.2Å; Y241-L249 PolarHBondContact N-O 2.95Å; Y241-L249 PolarHBondContact O-N 3.48Å; L243-L249 HydrophobicContact CD1-CB 4.45Å; L243-L249 HydrophobicContact CD2-CD2 4.49Å; L243-L249 HydrophobicContact CG-CB 4.32Å; L249-I251 HydrophobicContact CD2-CD1 4.28Å; L249-I251 HydrophobicContact CD2-CG1 3.87Å; L249-I251 HydrophobicContact CG-CG1 3.98Å; L249-I251 PolarHBondContact O-N 3.15Å
250D89.9Confident90.7Very high53 Ų5344.7 Ų44.728%0.28325%0.253SS..EExtended strand (participates in β ladder)trans-86.4110.1171.9-76.9-21.7000109.5K238 Q240K238-D250 HydrophobicContact CB-CB 4.36Å; K238-D250 HydrophobicContact CD-CB 4.2Å; Q240-D250 WeakPolarHBondContact CG-OD1 3.43Å
251I88.6Confident91.1Very high0 Ų037.7 Ų37.70%022%0.22CC..EExtended strand (participates in β ladder)trans-95.3106.4176.9-50.8166.2000108.1I217 A221 A239 Y241 L249 A254 R255I217-I251 HydrophobicContact CG2-CD1 3.35Å; I217-I251 HydrophobicContact CG2-CG1 4.39Å; A221-I251 HydrophobicContact CB-CD1 3.65Å; A239-I251 PolarHBondContact N-O 2.91Å; A239-I251 PolarHBondContact O-N 3.02Å; Y241-I251 HydrophobicContact CG-CD1 4.2Å; L249-I251 HydrophobicContact CD2-CD1 4.28Å; L249-I251 HydrophobicContact CD2-CG1 3.87Å; L249-I251 HydrophobicContact CG-CG1 3.98Å; L249-I251 PolarHBondContact O-N 3.15Å; I251-A254 HydrophobicContact CG2-CB 4.45Å; I251-R255 HydrophobicContact CG2-CB 3.82Å
252G86.5Confident91.4Very high4 Ų436.5 Ų36.54%0.04122%0.215CC..  trans-86.3-125.3177.300000112A254 R255G252-A254 PolarHBondContact O-N 2.86Å; G252-R255 WeakPolarHBondContact O-CD 3.14Å; G252-R255 VanDerWaalsContact O-CG 3.27Å; G252-R255 WeakPolarHBondContact O-CG 3.33Å
253P89.6Confident91.5Very high38 Ų3832.4 Ų32.425%0.24719%0.19CC..THydrogen-bonded Turntrans-69.6-15.9-174.729.7-36.2000114.2E201 R255 F256 R257E201-P253 WeakPolarHBondContact OE1-CD 3.43Å; P253-R255 PolarHBondContact O-N 3.48Å; P253-R255 VanDerWaalsContact O-N 3.1Å; P253-F256 HydrophobicContact CB-CE1 3.69Å; P253-F256 HydrophobicContact CB-CZ 3.91Å; P253-F256 WeakPolarHBondContact O-CD1 3.38Å; P253-F256 PolarHBondContact O-N 2.87Å; P253-R257 WeakPolarHBondContact O-CB 3.37Å; P253-R257 WeakPolarHBondContact O-CG 3.48Å; P253-R257 PolarHBondContact O-N 2.87Å; P253-R257 VanDerWaalsContact O-N 3.09Å
254A91.3Very high91.8Very high1 Ų137 Ų371%0.00821%0.205CC..Hα-helixtrans-54.2-30.517700000113.3L194 L197 E201 I251 G252 F256 A258L194-A254 HydrophobicContact CD1-CB 4Å; L197-A254 HydrophobicContact CB-CB 3.85Å; L197-A254 HydrophobicContact CD1-CB 4.25Å; E201-A254 WeakPolarHBondContact OE1-CB 3.47Å; E201-A254 PolarHBondContact OE1-N 2.81Å; I251-A254 HydrophobicContact CG2-CB 4.45Å; G252-A254 PolarHBondContact O-N 2.86Å; A254-F256 PolarHBondContact O-N 3.14Å; A254-A258 VanDerWaalsContact O-CB 3.28Å; A254-A258 WeakPolarHBondContact O-CB 3.23Å; A254-A258 PolarHBondContact O-N 2.84Å
255R91.1Very high92.2Very high54 Ų5433 Ų3320%0.20418%0.179CC..Hα-helixtrans-64.4-31.8-177.270.7-170.4-63.8-149-7.4115.1A221 C222 Y223 I251 G252 P253 P259A221-R255 PolarHBondContact O-NE 2.88Å; A221-R255 PolarHBondContact O-NH2 2.92Å; A221-R255 VanDerWaalsContact O-NH2 3.11Å; C222-R255 WeakPolarHBondContact CA-O 3.41Å; C222-R255 WeakPolarHBondContact CB-O 3.48Å; C222-R255 PolarHBondContact SG-O 3.13Å; C222-R255 VanDerWaalsContact SG-O 3.42Å; Y223-R255 HydrophobicContact CD1-CG 4.17Å; Y223-R255 HydrophobicContact CE1-CG 3.69Å; Y223-R255 PolarHBondContact N-O 3.28Å; I251-R255 HydrophobicContact CG2-CB 3.82Å; G252-R255 WeakPolarHBondContact O-CD 3.14Å; G252-R255 VanDerWaalsContact O-CG 3.27Å; G252-R255 WeakPolarHBondContact O-CG 3.33Å; P253-R255 PolarHBondContact O-N 3.48Å; P253-R255 VanDerWaalsContact O-N 3.1Å; R255-P259 WeakPolarHBondContact O-CD 3.45Å
256F91.9Very high92.6Very high3 Ų332.5 Ų32.51%0.01318%0.177CC..Hα-helixtrans-103.5-2917770.2-97.2000111.6Y223 D231 T236 P253 A254 P259 E260Y223-F256 HydrophobicContact CD2-CB 4.36Å; Y223-F256 HydrophobicContact CE1-CB 4.19Å; Y223-F256 HydrophobicContact CE2-CB 3.88Å; Y223-F256 WeakPolarHBondContact O-CA 3.41Å; D231-F256 HydrophobicContact CB-CD2 4.46Å; D231-F256 HydrophobicContact CB-CE2 4.19Å; D231-F256 HydrophobicContact CB-CZ 4.25Å; T236-F256 HydrophobicContact CG2-CD1 4.49Å; T236-F256 HydrophobicContact CG2-CE1 4.18Å; P253-F256 HydrophobicContact CB-CE1 3.69Å; P253-F256 HydrophobicContact CB-CZ 3.91Å; P253-F256 WeakPolarHBondContact O-CD1 3.38Å; P253-F256 PolarHBondContact O-N 2.87Å; A254-F256 PolarHBondContact O-N 3.14Å; F256-P259 WeakPolarHBondContact O-CD 3.49Å; F256-E260 WeakPolarHBondContact O-CG 3.25Å
257R92.9Very high92.8Very high88 Ų8833.5 Ų33.533%0.33217%0.169SC..Hα-helixtrans-66.6-36.5175.1-72.5179.9173164.4-2.1113Y193 L197 E232 P253 E260Y193-R257 WeakPolarHBondContact CE1-O 3.03Å; L197-R257 HydrophobicContact CD1-CB 3.85Å; E232-R257 IonicContact OE1-CZ 3.6Å; E232-R257 IonicContact OE1-NE 2.81Å; E232-R257 IonicContact OE1-NH2 3.76Å; E232-R257 PolarHBondContact OE1-NH2 2.92Å; P253-R257 WeakPolarHBondContact O-CB 3.37Å; P253-R257 WeakPolarHBondContact O-CG 3.48Å; P253-R257 PolarHBondContact O-N 2.87Å; P253-R257 VanDerWaalsContact O-N 3.09Å; R257-E260 WeakPolarHBondContact O-CB 3.49Å; R257-E260 PolarHBondContact O-N 3.09Å
258A95.2Very high92.9Very high0 Ų034.8 Ų34.80%017%0.171CC..THydrogen-bonded Turntrans-64.4-49.3-177.500000113V190 Y193 L194 L197 A254 E260 L261V190-A258 HydrophobicContact CG1-CB 4.35Å; Y193-A258 HydrophobicContact CD1-CB 4.38Å; L194-A258 HydrophobicContact CB-CB 3.76Å; L194-A258 HydrophobicContact CD1-CB 3.84Å; L194-A258 HydrophobicContact CG-CB 4.33Å; L197-A258 HydrophobicContact CD1-CB 4.14Å; A254-A258 VanDerWaalsContact O-CB 3.28Å; A254-A258 WeakPolarHBondContact O-CB 3.23Å; A254-A258 PolarHBondContact O-N 2.84Å; A258-E260 VanDerWaalsContact C-N 3.27Å; A258-E260 PolarHBondContact O-N 3.41Å; A258-L261 VanDerWaalsContact O-CB 3.29Å; A258-L261 WeakPolarHBondContact O-CB 3.06Å; A258-L261 PolarHBondContact O-N 3.18Å
259P95.9Very high93Very high0 Ų033.9 Ų33.90%018%0.18CC..G310 helixtrans-62.1-25.2175-30.139.6000116C222 L224 R255 F256 L261 L262 L307C222-P259 HydrophobicContact CB-CG 3.71Å; L224-P259 HydrophobicContact CD2-CB 3.5Å; L224-P259 VanDerWaalsContact CD2-CB 3.5Å; L224-P259 HydrophobicContact CG-CB 3.66Å; R255-P259 WeakPolarHBondContact O-CD 3.45Å; F256-P259 WeakPolarHBondContact O-CD 3.49Å; P259-L261 PolarHBondContact O-N 2.85Å; P259-L261 VanDerWaalsContact O-N 3.09Å; P259-L262 WeakPolarHBondContact O-CB 3.28Å; P259-L262 PolarHBondContact O-N 2.95Å; P259-L307 HydrophobicContact CB-CD1 3.98Å; P259-L307 HydrophobicContact CG-CD1 4.26Å; P259-L307 HydrophobicContact CG-CD2 4.24Å
260E95.1Very high93.1Very high8 Ų836.5 Ų36.54%0.03719%0.194CC..G310 helixtrans-59-21.9177.5-73.5-65.1138.600112.4P228 F256 R257 A258 L262 F263 R264 L267 R313P228-E260 HydrophobicContact CB-CG 4.25Å; F256-E260 WeakPolarHBondContact O-CG 3.25Å; R257-E260 WeakPolarHBondContact O-CB 3.49Å; R257-E260 PolarHBondContact O-N 3.09Å; A258-E260 VanDerWaalsContact C-N 3.27Å; A258-E260 PolarHBondContact O-N 3.41Å; E260-L262 PolarHBondContact O-N 3.36Å; E260-L262 VanDerWaalsContact O-N 3.14Å; E260-F263 CarbonylContact O-C 3.56Å; E260-F263 PolarHBondContact O-N 2.86Å; E260-R264 PolarHBondContact O-N 3.25Å; E260-L267 HydrophobicContact CB-CD1 4.05Å; E260-R313 IonicContact OE1-NH2 3.65Å; E260-R313 IonicContact OE2-CZ 2.81Å; E260-R313 IonicContact OE2-NH2 3.51Å; E260-R313 PolarHBondContact OE2-NH2 3.06Å
261L96.3Very high93.3Very high0 Ų042.8 Ų42.80%022%0.221CC..G310 helixtrans-51.6-35.6172.6176.159.8000113I185 D189 V190 Y193 A258 P259 F263 R264 I268I185-L261 HydrophobicContact CG2-CG 4.15Å; D189-L261 HydrophobicContact CB-CD2 3.94Å; V190-L261 HydrophobicContact CG2-CB 4.39Å; V190-L261 HydrophobicContact CG2-CD2 4.28Å; Y193-L261 HydrophobicContact CD1-CB 4.05Å; Y193-L261 HydrophobicContact CD1-CD2 4.35Å; Y193-L261 HydrophobicContact CG-CD2 4.31Å; A258-L261 VanDerWaalsContact O-CB 3.29Å; A258-L261 WeakPolarHBondContact O-CB 3.06Å; A258-L261 PolarHBondContact O-N 3.18Å; P259-L261 PolarHBondContact O-N 2.85Å; P259-L261 VanDerWaalsContact O-N 3.09Å; L261-F263 PolarHBondContact O-N 2.79Å; L261-R264 CarbonylContact O-C 3.22Å; L261-R264 PolarHBondContact O-N 3.31Å; L261-I268 HydrophobicContact CD1-CB 4.22Å; L261-I268 HydrophobicContact CD1-CD1 3.8Å; L261-I268 HydrophobicContact CD1-CG1 3.62Å; L261-I268 HydrophobicContact CD1-CG2 3.73Å; L261-I268 HydrophobicContact CD2-CD1 4.36Å; L261-I268 HydrophobicContact CD2-CG2 4.13Å
262L96.5Very high93.6Very high2 Ų244.6 Ų44.61%0.0123%0.234CC..G310 helixtrans-66.5-24.9178.4-62.7178.3000112.7I185 V190 P259 E260 I275 L307 F310I185-L262 HydrophobicContact CG2-CD2 4.41Å; V190-L262 HydrophobicContact CG2-CD1 4.23Å; V190-L262 HydrophobicContact CG2-CD2 3.56Å; V190-L262 HydrophobicContact CG2-CG 3.65Å; P259-L262 WeakPolarHBondContact O-CB 3.28Å; P259-L262 PolarHBondContact O-N 2.95Å; E260-L262 PolarHBondContact O-N 3.36Å; E260-L262 VanDerWaalsContact O-N 3.14Å; L262-I275 HydrophobicContact CB-CD1 3.7Å; L262-I275 HydrophobicContact CB-CG1 4.22Å; L262-I275 HydrophobicContact CD1-CD1 4.21Å; L262-I275 HydrophobicContact CD2-CD1 3.97Å; L262-I275 HydrophobicContact CG-CD1 4.16Å; L262-I275 WeakPolarHBondContact O-CB 3.39Å; L262-I275 VanDerWaalsContact O-CG1 3.28Å; L262-I275 WeakPolarHBondContact O-CG1 3.46Å; L262-I275 PolarHBondContact O-N 3.04Å; L262-L307 HydrophobicContact CD1-CD1 4Å; L262-F310 HydrophobicContact CD1-CE2 4.32Å
263F95.8Very high94Very high7 Ų747.8 Ų47.83%0.03125%0.248CC..THydrogen-bonded Turntrans-101.9-23.8178.4-68.3-95.6000112.2L224 E260 L261 H276 F310 R313 L314 E317L224-F263 HydrophobicContact CD1-CE2 3.71Å; L224-F263 HydrophobicContact CD1-CZ 4.48Å; L224-F263 HydrophobicContact CD2-CD2 3.87Å; L224-F263 HydrophobicContact CD2-CE2 3.76Å; L224-F263 HydrophobicContact CG-CE2 4.38Å; E260-F263 CarbonylContact O-C 3.56Å; E260-F263 PolarHBondContact O-N 2.86Å; L261-F263 PolarHBondContact O-N 2.79Å; F263-H276 HydrophobicContact CD1-CB 4.19Å; F263-H276 AromaticContact CD1-ND1 3.54Å; F263-H276 HydrophobicContact CE1-CB 4.18Å; F263-H276 PolarHBondContact O-CE1 2.91Å; F263-H276 VanDerWaalsContact O-CE1 3.27Å; F263-F310 HydrophobicContact CE2-CE2 4.44Å; F263-F310 HydrophobicContact CZ-CE2 4.48Å; F263-R313 HydrophobicContact CD1-CG 4.17Å; F263-R313 HydrophobicContact CD2-CG 4.35Å; F263-R313 HydrophobicContact CE1-CG 3.7Å; F263-R313 HydrophobicContact CE2-CG 3.91Å; F263-R313 HydrophobicContact CG-CG 4.49Å; F263-R313 HydrophobicContact CZ-CB 4.25Å; F263-R313 HydrophobicContact CZ-CG 3.56Å; F263-L314 HydrophobicContact CE1-CD1 4.35Å; F263-L314 HydrophobicContact CZ-CB 4.48Å; F263-E317 HydrophobicContact CD1-CG 4.11Å; F263-E317 HydrophobicContact CE1-CG 4.31Å
264R95.1Very high94.3Very high118 Ų11846 Ų4645%0.44524%0.236SC..  trans-134.282.9178.8-66.9-173.9-179.4176.8-1110.7E260 L261 D266 L267E260-R264 PolarHBondContact O-N 3.25Å; L261-R264 CarbonylContact O-C 3.22Å; L261-R264 PolarHBondContact O-N 3.31Å; R264-D266 PolarHBondContact O-N 2.78Å; R264-L267 HydrophobicContact CB-CD1 4.22Å; R264-L267 HydrophobicContact CB-CG 4.14Å; R264-L267 WeakPolarHBondContact O-CG 3.27Å; R264-L267 PolarHBondContact O-N 3.36Å
265P95.6Very high94.5Very high4 Ų446.3 Ų46.33%0.02624%0.238CC..G310 helixtrans-50.5-30.1170.4-3645.1000114.7I185 L267 I268 D270 S272I185-P265 HydrophobicContact CD1-CB 3.37Å; I185-P265 HydrophobicContact CD1-CG 3.49Å; I185-P265 VanDerWaalsContact CD1-CG 3.49Å; P265-L267 PolarHBondContact O-N 3.15Å; P265-I268 WeakPolarHBondContact O-CG1 3.46Å; P265-I268 PolarHBondContact O-N 3.17Å; P265-D270 CarbonylContact C-O 3.59Å; P265-D270 HydrophobicContact CB-CB 4.31Å; P265-D270 VanDerWaalsContact CB-O 3.27Å; P265-D270 WeakPolarHBondContact CB-O 3.46Å; P265-D270 PolarHBondContact O-N 2.68Å; P265-S272 WeakPolarHBondContact CB-O 3.45Å; P265-S272 VanDerWaalsContact CG-O 3.25Å; P265-S272 WeakPolarHBondContact CG-O 3.34Å
266D95.1Very high94.8Very high112 Ų11244.7 Ų44.760%0.59923%0.232SC*.G310 helixtrans-54.6-24.7-179.2-49.4-74.4000113.5R264 I268 G269 D270R264-D266 PolarHBondContact O-N 2.78Å; D266-I268 PolarHBondContact O-N 3.45Å; D266-G269 PolarHBondContact O-N 3.42Å; D266-D270 WeakPolarHBondContact CA-O 3.43Å; D266-D270 PolarHBondContact N-O 2.89Å
267L93.4Very high95Very high76 Ų7647.6 Ų47.640%0.39825%0.246SC..G310 helixtrans-61.5-25.5-180-66.2176.8000113.8Y193 E260 R264 P265Y193-L267 HydrophobicContact CE1-CB 4.41Å; Y193-L267 HydrophobicContact CE1-CD1 4.24Å; E260-L267 HydrophobicContact CB-CD1 4.05Å; R264-L267 HydrophobicContact CB-CD1 4.22Å; R264-L267 HydrophobicContact CB-CG 4.14Å; R264-L267 WeakPolarHBondContact O-CG 3.27Å; R264-L267 PolarHBondContact O-N 3.36Å; P265-L267 PolarHBondContact O-N 3.15Å
268I93.4Very high95.2Very high75 Ų7543.5 Ų43.539%0.38523%0.23SC..G310 helixtrans-1057.417461.1169.3000112.4Y193 L261 P265 D266 D270Y193-I268 HydrophobicContact CD2-CG2 3.75Å; Y193-I268 HydrophobicContact CE2-CG2 4.34Å; Y193-I268 HydrophobicContact CG-CG2 4.05Å; L261-I268 HydrophobicContact CD1-CB 4.22Å; L261-I268 HydrophobicContact CD1-CD1 3.8Å; L261-I268 HydrophobicContact CD1-CG1 3.62Å; L261-I268 HydrophobicContact CD1-CG2 3.73Å; L261-I268 HydrophobicContact CD2-CD1 4.36Å; L261-I268 HydrophobicContact CD2-CG2 4.13Å; P265-I268 WeakPolarHBondContact O-CG1 3.46Å; P265-I268 PolarHBondContact O-N 3.17Å; D266-I268 PolarHBondContact O-N 3.45Å; I268-D270 HydrophobicContact CD1-CB 4.09Å; I268-D270 HydrophobicContact CG1-CB 3.9Å
269G92.9Very high95.3Very high69 Ų6943.5 Ų43.571%0.71123%0.23SC*.THydrogen-bonded Turntrans74.724-175.400000113.8D266D266-G269 PolarHBondContact O-N 3.42Å
270D93.2Very high95.3Very high55 Ų5543.5 Ų43.529%0.29423%0.231SC..  trans-99.6124.5172.9-168.4-19.8000108.9I185 P265 D266 I268 S272I185-D270 HydrophobicContact CD1-CB 4.25Å; P265-D270 CarbonylContact C-O 3.59Å; P265-D270 HydrophobicContact CB-CB 4.31Å; P265-D270 VanDerWaalsContact CB-O 3.27Å; P265-D270 WeakPolarHBondContact CB-O 3.46Å; P265-D270 PolarHBondContact O-N 2.68Å; D266-D270 WeakPolarHBondContact CA-O 3.43Å; D266-D270 PolarHBondContact N-O 2.89Å; I268-D270 HydrophobicContact CD1-CB 4.09Å; I268-D270 HydrophobicContact CG1-CB 3.9Å; D270-S272 PolarHBondContact O-N 3.29Å; D270-S272 VanDerWaalsContact OD1-CB 3.29Å; D270-S272 WeakPolarHBondContact OD1-CB 3.43Å; D270-S272 PolarHBondContact OD1-N 3.48Å; D270-S272 PolarHBondContact OD1-OG 3.29Å
271E94.3Very high95.4Very high185 Ų18546.6 Ų46.686%0.86424%0.244SC*.  trans-86.615-179.2-61.3-175.3162.200112.6
272S93.5Very high95.4Very high37 Ų3746.6 Ų46.626%0.25924%0.244SC..PPolyproline II helixtrans-66.8161.5174.4-62.40000112.7P265 D270P265-S272 WeakPolarHBondContact CB-O 3.45Å; P265-S272 VanDerWaalsContact CG-O 3.25Å; P265-S272 WeakPolarHBondContact CG-O 3.34Å; D270-S272 PolarHBondContact O-N 3.29Å; D270-S272 VanDerWaalsContact OD1-CB 3.29Å; D270-S272 WeakPolarHBondContact OD1-CB 3.43Å; D270-S272 PolarHBondContact OD1-N 3.48Å; D270-S272 PolarHBondContact OD1-OG 3.29Å
273E95.4Very high95.5Very high72 Ų7246.5 Ų46.534%0.33624%0.244SC..PPolyproline II helixtrans-72.6146.7177.6-58.390.7159.300112.9E277 V278 F281E273-E277 HydrophobicContact CB-CB 4.08Å; E273-V278 HydrophobicContact CB-CG2 3.92Å; E273-F281 HydrophobicContact CG-CD2 4.16Å; E273-F281 HydrophobicContact CG-CE2 3.88Å
274G96Very high95.4Very high1 Ų150 Ų501%0.0126%0.26CS..PPolyproline II helixtrans-71.5157.2171.800000112.2H276 E277 V278G274-H276 PolarHBondContact O-N 3.02Å; G274-E277 PolarHBondContact N-OE2 2.82Å; G274-E277 VanDerWaalsContact N-OE2 3.07Å; G274-E277 WeakPolarHBondContact O-CA 3.49Å; G274-E277 WeakPolarHBondContact O-CB 3.34Å; G274-E277 PolarHBondContact O-N 3.01Å; G274-V278 WeakPolarHBondContact O-CG2 3.41Å; G274-V278 PolarHBondContact O-N 3.33Å
275I96.9Very high95.5Very high7 Ų749.7 Ų49.74%0.03626%0.262CS..Hα-helixtrans-53.1-37.9-177.9-71.8-170.9000113.7L158 A160 T165 L262 L279 F310 L314L158-I275 HydrophobicContact CD1-CG2 3.78Å; L158-I275 HydrophobicContact CD2-CG2 3.44Å; L158-I275 VanDerWaalsContact CD2-CG2 3.44Å; L158-I275 HydrophobicContact CG-CG2 4.12Å; A160-I275 HydrophobicContact CB-CD1 4.19Å; T165-I275 HydrophobicContact CG2-CD1 3.79Å; T165-I275 HydrophobicContact CG2-CG1 3.79Å; L262-I275 HydrophobicContact CB-CD1 3.7Å; L262-I275 HydrophobicContact CB-CG1 4.22Å; L262-I275 HydrophobicContact CD1-CD1 4.21Å; L262-I275 HydrophobicContact CD2-CD1 3.97Å; L262-I275 HydrophobicContact CG-CD1 4.16Å; L262-I275 WeakPolarHBondContact O-CB 3.39Å; L262-I275 VanDerWaalsContact O-CG1 3.28Å; L262-I275 WeakPolarHBondContact O-CG1 3.46Å; L262-I275 PolarHBondContact O-N 3.04Å; I275-L279 WeakPolarHBondContact O-CB 3.19Å; I275-L279 PolarHBondContact O-N 2.85Å; I275-F310 HydrophobicContact CD1-CE2 4.36Å; I275-F310 HydrophobicContact CD1-CZ 4.46Å; I275-F310 HydrophobicContact CG2-CZ 4.24Å; I275-L314 HydrophobicContact CG2-CD1 4.36Å
276H96.4Very high95.5Very high19 Ų1949.6 Ų49.69%0.08826%0.261CS..Hα-helixtrans-67.2-36.3178.862.6-69000112.8F263 G274 A280 L314 E317F263-H276 HydrophobicContact CD1-CB 4.19Å; F263-H276 AromaticContact CD1-ND1 3.54Å; F263-H276 HydrophobicContact CE1-CB 4.18Å; F263-H276 PolarHBondContact O-CE1 2.91Å; F263-H276 VanDerWaalsContact O-CE1 3.27Å; G274-H276 PolarHBondContact O-N 3.02Å; H276-A280 WeakPolarHBondContact O-CB 3.35Å; H276-A280 PolarHBondContact O-N 3.27Å; H276-A280 VanDerWaalsContact O-N 3.12Å; H276-L314 HydrophobicContact CB-CD1 3.89Å; H276-E317 HydrophobicContact CB-CB 3.59Å; H276-E317 HydrophobicContact CB-CG 4.32Å
277E96.7Very high95.5Very high65 Ų6548.9 Ų48.930%0.30426%0.257SS..Hα-helixtrans-73.2-44.8174.7-66.2169.5166.700110.6E273 G274 L279 A280 F281 L321E273-E277 HydrophobicContact CB-CB 4.08Å; G274-E277 PolarHBondContact N-OE2 2.82Å; G274-E277 VanDerWaalsContact N-OE2 3.07Å; G274-E277 WeakPolarHBondContact O-CA 3.49Å; G274-E277 WeakPolarHBondContact O-CB 3.34Å; G274-E277 PolarHBondContact O-N 3.01Å; E277-L279 PolarHBondContact O-N 2.71Å; E277-A280 CarbonylContact O-C 3.59Å; E277-A280 PolarHBondContact O-N 3.09Å; E277-F281 HydrophobicContact CB-CE2 4.32Å; E277-F281 HydrophobicContact CB-CZ 4.5Å; E277-F281 VanDerWaalsContact O-CB 3.31Å; E277-F281 WeakPolarHBondContact O-CB 3.42Å; E277-F281 VanDerWaalsContact O-CG 3.28Å; E277-F281 WeakPolarHBondContact O-CG 3.5Å; E277-F281 PolarHBondContact O-N 3.39Å; E277-L321 HydrophobicContact CG-CD1 4.06Å
278V97.1Very high95.5Very high1 Ų152.2 Ų52.21%0.00627%0.273CS..Hα-helixtrans-51-46.8173.8171.20000111A167 M181 V183 E273 G274 A282A167-V278 HydrophobicContact CB-CG1 3.86Å; M181-V278 HydrophobicContact CB-CG1 3.64Å; V183-V278 HydrophobicContact CB-CG2 4.33Å; V183-V278 HydrophobicContact CG2-CG2 3.33Å; E273-V278 HydrophobicContact CB-CG2 3.92Å; G274-V278 WeakPolarHBondContact O-CG2 3.41Å; G274-V278 PolarHBondContact O-N 3.33Å; V278-A282 WeakPolarHBondContact O-CB 3.06Å; V278-A282 PolarHBondContact O-N 3.25Å
279L97.4Very high95.5Very high0 Ų055.7 Ų55.70%029%0.292CS..Hα-helixtrans-65-46.6176.7177.960.1000112.3V156 L158 A167 I275 E277 A282 I283 I298 L314 V318V156-L279 HydrophobicContact CB-CD1 4.18Å; V156-L279 HydrophobicContact CG1-CD1 3.55Å; L158-L279 HydrophobicContact CB-CD1 4.38Å; L158-L279 HydrophobicContact CD2-CD2 4.26Å; A167-L279 HydrophobicContact CB-CD1 4.4Å; I275-L279 WeakPolarHBondContact O-CB 3.19Å; I275-L279 PolarHBondContact O-N 2.85Å; E277-L279 PolarHBondContact O-N 2.71Å; L279-A282 PolarHBondContact O-N 3.49Å; L279-I283 HydrophobicContact CD1-CD1 4.26Å; L279-I283 HydrophobicContact CG-CD1 4.44Å; L279-I283 WeakPolarHBondContact O-CG1 3.44Å; L279-I283 PolarHBondContact O-N 2.88Å; L279-I298 HydrophobicContact CD1-CG1 4.49Å; L279-I298 HydrophobicContact CD1-CG2 4.24Å; L279-I298 HydrophobicContact CD2-CD1 4.17Å; L279-I298 HydrophobicContact CD2-CG2 3.95Å; L279-L314 HydrophobicContact CD2-CD1 4.16Å; L279-L314 HydrophobicContact CD2-CD2 4.11Å; L279-L314 HydrophobicContact CD2-CG 4.33Å; L279-V318 HydrophobicContact CD2-CG2 3.86Å
280A96Very high95.6Very high1 Ų153.5 Ų53.51%0.00826%0.264CS..Hα-helixtrans-64.5-42.6179.700000111.8H276 E277 I283 Q284 L321H276-A280 WeakPolarHBondContact O-CB 3.35Å; H276-A280 PolarHBondContact O-N 3.27Å; H276-A280 VanDerWaalsContact O-N 3.12Å; E277-A280 CarbonylContact O-C 3.59Å; E277-A280 PolarHBondContact O-N 3.09Å; A280-I283 PolarHBondContact O-N 3.31Å; A280-Q284 WeakPolarHBondContact O-CB 3.25Å; A280-Q284 VanDerWaalsContact O-CG 3.27Å; A280-Q284 WeakPolarHBondContact O-CG 3.48Å; A280-Q284 PolarHBondContact O-N 3.11Å; A280-L321 HydrophobicContact CB-CB 4.11Å; A280-L321 HydrophobicContact CB-CD1 3.82Å
281F96.4Very high95.7Very high73 Ų7354.8 Ų54.832%0.3227%0.265SS..Hα-helixtrans-67.6-37.9178.9-69.5-9.2000112.1M181 E273 E277 I283 Q284 K285M181-F281 HydrophobicContact CE-CB 4.05Å; M181-F281 HydrophobicContact CE-CD2 4.25Å; M181-F281 HydrophobicContact CG-CB 4.29Å; M181-F281 HydrophobicContact SD-CB 4.36Å; E273-F281 HydrophobicContact CG-CD2 4.16Å; E273-F281 HydrophobicContact CG-CE2 3.88Å; E277-F281 HydrophobicContact CB-CE2 4.32Å; E277-F281 HydrophobicContact CB-CZ 4.5Å; E277-F281 VanDerWaalsContact O-CB 3.31Å; E277-F281 WeakPolarHBondContact O-CB 3.42Å; E277-F281 VanDerWaalsContact O-CG 3.28Å; E277-F281 WeakPolarHBondContact O-CG 3.5Å; E277-F281 PolarHBondContact O-N 3.39Å; F281-I283 VanDerWaalsContact C-N 3.29Å; F281-I283 PolarHBondContact O-N 3.36Å; F281-Q284 PolarHBondContact O-N 2.67Å; F281-K285 WeakPolarHBondContact O-CB 3.28Å; F281-K285 WeakPolarHBondContact O-CG 3.31Å; F281-K285 PolarHBondContact O-N 2.8Å
282A97.3Very high95.7Very high0 Ų054.7 Ų54.70%026%0.256CS..Hα-helixtrans-59.2-42.6172.800000111.6A167 S179 M181 V278 L279 S286A167-A282 HydrophobicContact CB-CB 3.69Å; S179-A282 WeakPolarHBondContact O-CA 3.47Å; S179-A282 WeakPolarHBondContact O-CB 3.32Å; M181-A282 HydrophobicContact CB-CB 4.21Å; M181-A282 HydrophobicContact CG-CB 3.73Å; V278-A282 WeakPolarHBondContact O-CB 3.06Å; V278-A282 PolarHBondContact O-N 3.25Å; L279-A282 PolarHBondContact O-N 3.49Å; A282-S286 PolarHBondContact O-N 3.13Å; A282-S286 PolarHBondContact O-OG 3.37Å
283I96.6Very high95.8Very high0 Ų055.5 Ų55.50%026%0.26CS..Hα-helixtrans-69.4-41.4176.6-62.5168.5000111.1V156 L279 A280 F281 S286 R291 L294 F295V156-I283 HydrophobicContact CG2-CD1 4.19Å; V156-I283 HydrophobicContact CG2-CG1 3.72Å; L279-I283 HydrophobicContact CD1-CD1 4.26Å; L279-I283 HydrophobicContact CG-CD1 4.44Å; L279-I283 WeakPolarHBondContact O-CG1 3.44Å; L279-I283 PolarHBondContact O-N 2.88Å; A280-I283 PolarHBondContact O-N 3.31Å; F281-I283 VanDerWaalsContact C-N 3.29Å; F281-I283 PolarHBondContact O-N 3.36Å; I283-S286 WeakPolarHBondContact O-CB 3.49Å; I283-S286 PolarHBondContact O-N 3.13Å; I283-R291 HydrophobicContact CG2-CB 3.92Å; I283-R291 HydrophobicContact CG2-CG 4.17Å; I283-R291 WeakPolarHBondContact O-CG 3.34Å; I283-L294 HydrophobicContact CG1-CB 4.18Å; I283-L294 HydrophobicContact CG2-CB 4.12Å; I283-L294 HydrophobicContact CG2-CD1 4.48Å; I283-F295 HydrophobicContact CB-CE1 4.4Å; I283-F295 HydrophobicContact CB-CE2 4.35Å; I283-F295 HydrophobicContact CB-CZ 4.1Å; I283-F295 HydrophobicContact CD1-CD1 3.51Å; I283-F295 HydrophobicContact CD1-CE1 3.53Å; I283-F295 HydrophobicContact CD1-CG 4.06Å; I283-F295 HydrophobicContact CD1-CZ 4.1Å; I283-F295 HydrophobicContact CG2-CD1 4.46Å; I283-F295 HydrophobicContact CG2-CD2 3.72Å; I283-F295 HydrophobicContact CG2-CE1 4.19Å; I283-F295 HydrophobicContact CG2-CE2 3.41Å; I283-F295 VanDerWaalsContact CG2-CE2 3.41Å; I283-F295 HydrophobicContact CG2-CG 4.24Å; I283-F295 HydrophobicContact CG2-CZ 3.66Å
284Q95.1Very high95.8Very high79 Ų7952.1 Ų52.137%0.36924%0.244SC..Hα-helixtrans-69.2-31179.5-73.41752.700113.1A280 F281 S286 R291A280-Q284 WeakPolarHBondContact O-CB 3.25Å; A280-Q284 VanDerWaalsContact O-CG 3.27Å; A280-Q284 WeakPolarHBondContact O-CG 3.48Å; A280-Q284 PolarHBondContact O-N 3.11Å; F281-Q284 PolarHBondContact O-N 2.67Å; Q284-S286 VanDerWaalsContact C-N 3.26Å; Q284-S286 PolarHBondContact O-N 2.97Å; Q284-R291 PolarHBondContact O-NE 2.81Å; Q284-R291 PolarHBondContact O-NH2 3.2Å
285K96.2Very high95.8Very high113 Ų11352.3 Ų52.349%0.49125%0.245SC..Hα-helixtrans-70-25.1172.7-76.7-177.5177.5-177.50112.7S179 M181 F281S179-K285 PolarHBondContact OG-O 2.76Å; M181-K285 HydrophobicContact SD-CD 3.77Å; M181-K285 VanDerWaalsContact SD-CE 3.58Å; M181-K285 PolarHBondContact SD-NZ 2.74Å; F281-K285 WeakPolarHBondContact O-CB 3.28Å; F281-K285 WeakPolarHBondContact O-CG 3.31Å; F281-K285 PolarHBondContact O-N 2.8Å
286S95.8Very high95.7Very high1 Ų153.7 Ų53.71%0.00726%0.255CS..SBendtrans-72.4159.1176.9-54.90000111.6P169 S179 A282 I283 Q284 R291P169-S286 WeakPolarHBondContact CG-OG 3.25Å; S179-S286 WeakPolarHBondContact CB-OG 3.44Å; S179-S286 WeakPolarHBondContact OG-CA 3.41Å; S179-S286 PolarHBondContact OG-N 3.45Å; S179-S286 VanDerWaalsContact OG-N 3.13Å; S179-S286 PolarHBondContact OG-OG 3.44Å; A282-S286 PolarHBondContact O-N 3.13Å; A282-S286 PolarHBondContact O-OG 3.37Å; I283-S286 WeakPolarHBondContact O-CB 3.49Å; I283-S286 PolarHBondContact O-N 3.13Å; Q284-S286 VanDerWaalsContact C-N 3.26Å; Q284-S286 PolarHBondContact O-N 2.97Å; S286-R291 PolarHBondContact O-NE 3.49Å; S286-R291 PolarHBondContact O-NH2 3.01Å
287D95.1Very high95.6Very high97 Ų9754.4 Ų54.452%0.51926%0.259SS..  trans-54.8142.1178.9-63.1-38.9000112.4D289 L290 R291D287-D289 PolarHBondContact O-N 2.92Å; D287-L290 HydrophobicContact CB-CD1 4.26Å; D287-L290 HydrophobicContact CB-CG 4.19Å; D287-L290 PolarHBondContact O-N 3.27Å; D287-R291 WeakPolarHBondContact O-CG 3.37Å; D287-R291 PolarHBondContact O-N 3.5Å
288M93.3Very high95.7Very high146 Ų14651.3 Ų51.372%0.71925%0.245SC*.Hα-helixtrans-55.3-39.5-173.3-69.7-159.8-6500113L290 R291M288-L290 VanDerWaalsContact C-N 3.26Å; M288-L290 PolarHBondContact O-N 3.22Å; M288-R291 PolarHBondContact O-N 2.85Å
289D94.2Very high95.7Very high148 Ų14851.3 Ų51.379%0.79125%0.245SC*.Hα-helixtrans-66.9-29-178.2-61.8-26.4000112.4D287D287-D289 PolarHBondContact O-N 2.92Å
290L94.8Very high95.7Very high24 Ų2451.4 Ų51.413%0.12625%0.245CC..Hα-helixtrans-82.4-26.8-178.5-58.1-174.7000112.5Y171 I176 D287 M288 R292 T293 L294Y171-L290 HydrophobicContact CD2-CD1 4.19Å; Y171-L290 HydrophobicContact CD2-CD2 3.47Å; Y171-L290 VanDerWaalsContact CD2-CD2 3.47Å; Y171-L290 HydrophobicContact CD2-CG 4.4Å; Y171-L290 HydrophobicContact CE2-CD2 3.38Å; Y171-L290 HydrophobicContact CG-CD1 4.16Å; Y171-L290 HydrophobicContact CG-CD2 4.13Å; I176-L290 HydrophobicContact CD1-CD1 3.82Å; D287-L290 HydrophobicContact CB-CD1 4.26Å; D287-L290 HydrophobicContact CB-CG 4.19Å; D287-L290 PolarHBondContact O-N 3.27Å; M288-L290 VanDerWaalsContact C-N 3.26Å; M288-L290 PolarHBondContact O-N 3.22Å; L290-R292 VanDerWaalsContact C-N 3.31Å; L290-R292 PolarHBondContact O-N 2.83Å; L290-T293 WeakPolarHBondContact O-CA 3.32Å; L290-T293 WeakPolarHBondContact O-CB 3.5Å; L290-T293 PolarHBondContact O-N 3.45Å; L290-L294 HydrophobicContact CB-CD1 4.22Å; L290-L294 HydrophobicContact CB-CG 4.39Å; L290-L294 WeakPolarHBondContact O-CG 3.45Å; L290-L294 PolarHBondContact O-N 2.89Å
291R95Very high95.6Very high82 Ų8251.4 Ų51.431%0.30925%0.245SC..Hα-helixtrans-55.6-42.7-169.5-58.1-169.5-175.7162.64113.1I283 Q284 S286 D287 M288 T293 L294 F295I283-R291 HydrophobicContact CG2-CB 3.92Å; I283-R291 HydrophobicContact CG2-CG 4.17Å; I283-R291 WeakPolarHBondContact O-CG 3.34Å; Q284-R291 PolarHBondContact O-NE 2.81Å; Q284-R291 PolarHBondContact O-NH2 3.2Å; S286-R291 PolarHBondContact O-NE 3.49Å; S286-R291 PolarHBondContact O-NH2 3.01Å; D287-R291 WeakPolarHBondContact O-CG 3.37Å; D287-R291 PolarHBondContact O-N 3.5Å; M288-R291 PolarHBondContact O-N 2.85Å; R291-T293 VanDerWaalsContact C-N 3.33Å; R291-T293 PolarHBondContact O-N 2.94Å; R291-L294 PolarHBondContact O-N 3.28Å; R291-F295 HydrophobicContact CB-CD2 4.49Å; R291-F295 HydrophobicContact CB-CE2 4.46Å; R291-F295 WeakPolarHBondContact O-CD2 3.08Å; R291-F295 PolarHBondContact O-N 2.95Å
292R94.3Very high95.5Very high182 Ų18248.3 Ų48.369%0.68723%0.234SC*.Hα-helixtrans-61.9-43.1179.3-172.6177.7-176.3174.33.1111.4L290 S296L290-R292 VanDerWaalsContact C-N 3.31Å; L290-R292 PolarHBondContact O-N 2.83Å; R292-S296 PolarHBondContact O-N 2.97Å
293T94.9Very high95.3Very high54 Ų5449.8 Ų49.833%0.33125%0.25SC..Hα-helixtrans-65.1-44.5176.7-54.10000110.7L290 R291 S296 N297L290-T293 WeakPolarHBondContact O-CA 3.32Å; L290-T293 WeakPolarHBondContact O-CB 3.5Å; L290-T293 PolarHBondContact O-N 3.45Å; R291-T293 VanDerWaalsContact C-N 3.33Å; R291-T293 PolarHBondContact O-N 2.94Å; T293-S296 PolarHBondContact O-N 2.7Å; T293-S296 PolarHBondContact O-OG 3.42Å; T293-N297 WeakPolarHBondContact O-CB 3.48Å; T293-N297 PolarHBondContact O-N 3.14Å; T293-N297 VanDerWaalsContact O-N 3.15Å; T293-N297 PolarHBondContact O-ND2 2.72Å
294L95.9Very high95.2Very high1 Ų150.2 Ų50.21%0.00525%0.252CS..Hα-helixtrans-62-46.3178.9-68.9-179.2000112.6V156 P169 I283 L290 R291 S296 N297V156-L294 HydrophobicContact CG2-CB 3.65Å; V156-L294 HydrophobicContact CG2-CD1 4.19Å; V156-L294 HydrophobicContact CG2-CD2 3.68Å; V156-L294 HydrophobicContact CG2-CG 4.01Å; P169-L294 HydrophobicContact CB-CD1 3.93Å; P169-L294 HydrophobicContact CB-CD2 4.26Å; I283-L294 HydrophobicContact CG1-CB 4.18Å; I283-L294 HydrophobicContact CG2-CB 4.12Å; I283-L294 HydrophobicContact CG2-CD1 4.48Å; L290-L294 HydrophobicContact CB-CD1 4.22Å; L290-L294 HydrophobicContact CB-CG 4.39Å; L290-L294 WeakPolarHBondContact O-CG 3.45Å; L290-L294 PolarHBondContact O-N 2.89Å; R291-L294 PolarHBondContact O-N 3.28Å; L294-S296 PolarHBondContact O-N 3.37Å; L294-N297 CarbonylContact O-C 3.59Å; L294-N297 PolarHBondContact O-N 2.87Å; L294-N297 VanDerWaalsContact O-N 3.1Å
295F95.8Very high95.2Very high6 Ų646.5 Ų46.53%0.02624%0.235CC..Hα-helixtrans-61.7-31.3174.7-80.8-62.8000113.4I283 R291 N297 V318 A322 V326 I328 K329I283-F295 HydrophobicContact CB-CE1 4.4Å; I283-F295 HydrophobicContact CB-CE2 4.35Å; I283-F295 HydrophobicContact CB-CZ 4.1Å; I283-F295 HydrophobicContact CD1-CD1 3.51Å; I283-F295 HydrophobicContact CD1-CE1 3.53Å; I283-F295 HydrophobicContact CD1-CG 4.06Å; I283-F295 HydrophobicContact CD1-CZ 4.1Å; I283-F295 HydrophobicContact CG2-CD1 4.46Å; I283-F295 HydrophobicContact CG2-CD2 3.72Å; I283-F295 HydrophobicContact CG2-CE1 4.19Å; I283-F295 HydrophobicContact CG2-CE2 3.41Å; I283-F295 VanDerWaalsContact CG2-CE2 3.41Å; I283-F295 HydrophobicContact CG2-CG 4.24Å; I283-F295 HydrophobicContact CG2-CZ 3.66Å; R291-F295 HydrophobicContact CB-CD2 4.49Å; R291-F295 HydrophobicContact CB-CE2 4.46Å; R291-F295 WeakPolarHBondContact O-CD2 3.08Å; R291-F295 PolarHBondContact O-N 2.95Å; F295-N297 VanDerWaalsContact C-N 3.3Å; F295-V318 HydrophobicContact CD1-CG1 4.21Å; F295-V318 HydrophobicContact CE1-CG1 4.04Å; F295-A322 HydrophobicContact CD1-CB 4.32Å; F295-A322 HydrophobicContact CE1-CB 3.8Å; F295-A322 HydrophobicContact CZ-CB 3.95Å; F295-V326 HydrophobicContact CB-CG1 3.46Å; F295-V326 VanDerWaalsContact CB-CG1 3.46Å; F295-V326 HydrophobicContact CD2-CG1 3.79Å; F295-V326 HydrophobicContact CG-CG1 3.83Å; F295-I328 HydrophobicContact CD1-CG1 4.4Å; F295-I328 WeakPolarHBondContact O-CA 3.27Å; F295-K329 PolarHBondContact O-N 3.34Å
296S94.8Very high95.2Very high35 Ų3544.8 Ų44.825%0.24523%0.231CC..Hα-helixtrans-79.9-12.3177.877.20000113.9R292 T293 L294 K329R292-S296 PolarHBondContact O-N 2.97Å; T293-S296 PolarHBondContact O-N 2.7Å; T293-S296 PolarHBondContact O-OG 3.42Å; L294-S296 PolarHBondContact O-N 3.37Å; S296-K329 WeakPolarHBondContact O-CB 3.43Å
297N96Very high95.1Very high34 Ų3445.7 Ų45.718%0.18224%0.236CC..  trans-13357.8-174.2-71.1-39.3000110.8G155 V156 T293 L294 F295G155-N297 CarbonylContact C-O 3.24Å; G155-N297 WeakPolarHBondContact CA-O 3.44Å; V156-N297 PolarHBondContact N-O 3.15Å; T293-N297 WeakPolarHBondContact O-CB 3.48Å; T293-N297 PolarHBondContact O-N 3.14Å; T293-N297 VanDerWaalsContact O-N 3.15Å; T293-N297 PolarHBondContact O-ND2 2.72Å; L294-N297 CarbonylContact O-C 3.59Å; L294-N297 PolarHBondContact O-N 2.87Å; L294-N297 VanDerWaalsContact O-N 3.1Å; F295-N297 VanDerWaalsContact C-N 3.3Å
298I97.4Very high95Very high0 Ų048 Ų480%024%0.241CC..EExtended strand (participates in β ladder)trans-86.2130.2171.7-60.4157.8000108.3V156 L279 L300 I328 K329 I330 S331V156-I298 CarbonylContact O-C 3.52Å; V156-I298 WeakPolarHBondContact O-CA 3.4Å; L279-I298 HydrophobicContact CD1-CG1 4.49Å; L279-I298 HydrophobicContact CD1-CG2 4.24Å; L279-I298 HydrophobicContact CD2-CD1 4.17Å; L279-I298 HydrophobicContact CD2-CG2 3.95Å; I298-L300 HydrophobicContact CG2-CD2 4.44Å; I298-I328 HydrophobicContact CD1-CG2 3.98Å; I298-K329 PolarHBondContact N-O 2.83Å; I298-K329 VanDerWaalsContact N-O 3.12Å; I298-I330 HydrophobicContact CB-CG1 4.23Å; I298-I330 HydrophobicContact CD1-CG1 4.11Å; I298-I330 HydrophobicContact CG2-CG1 4.28Å; I298-I330 HydrophobicContact CG2-CG2 4.32Å; I298-S331 WeakPolarHBondContact O-CB 3.45Å; I298-S331 PolarHBondContact O-N 3.22Å
299V97.1Very high95Very high1 Ų142.5 Ų42.51%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-118.9129.2178177.70000109.2L147 T150 V156 V157 L158 S331L147-V299 HydrophobicContact CD1-CB 4.48Å; L147-V299 HydrophobicContact CD1-CG2 3.81Å; T150-V299 HydrophobicContact CG2-CG1 3.86Å; V156-V299 PolarHBondContact O-N 2.83Å; V157-V299 WeakPolarHBondContact CA-O 3.43Å; V157-V299 HydrophobicContact CG2-CB 4.26Å; L158-V299 PolarHBondContact N-O 2.87Å; V299-S331 WeakPolarHBondContact CA-O 3.47Å
300L97.1Very high95.1Very high2 Ų235.5 Ų35.51%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-93.4133.2175.9-58.6-172.5000111.1L158 I298 T305 F310 L314 I330 S331 A332 P333L158-L300 HydrophobicContact CB-CD2 4.04Å; L158-L300 HydrophobicContact CD2-CD2 3.88Å; L158-L300 HydrophobicContact CG-CD2 4.37Å; I298-L300 HydrophobicContact CG2-CD2 4.44Å; L300-T305 HydrophobicContact CB-CG2 4.45Å; L300-F310 HydrophobicContact CD1-CD1 3.85Å; L300-F310 HydrophobicContact CD1-CE1 3.93Å; L300-F310 HydrophobicContact CD2-CE1 4.17Å; L300-L314 HydrophobicContact CD2-CD2 3.73Å; L300-I330 HydrophobicContact CD1-CG2 3.71Å; L300-I330 HydrophobicContact CD2-CG2 3.95Å; L300-I330 HydrophobicContact CG-CG2 3.62Å; L300-S331 PolarHBondContact N-O 3.04Å; L300-A332 HydrophobicContact CB-CB 4.41Å; L300-A332 HydrophobicContact CD1-CB 4.19Å; L300-P333 WeakPolarHBondContact O-CD 3.28Å
301S95.3Very high95.1Very high1 Ų135.7 Ų35.71%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-134156.7175.4174.60000110.4L158 D159 A160 T305L158-S301 PolarHBondContact O-N 3.1Å; D159-S301 WeakPolarHBondContact CA-O 3.48Å; D159-S301 VanDerWaalsContact OD1-CB 3.24Å; D159-S301 WeakPolarHBondContact OD1-CB 3.45Å; D159-S301 PolarHBondContact OD1-OG 3.19Å; A160-S301 PolarHBondContact N-O 2.76Å; S301-T305 WeakPolarHBondContact O-CG2 3.42Å
302G92.9Very high95.1Very high8 Ų836.8 Ų36.88%0.08220%0.203CC..SBendtrans94.4152.4169.900000113.9D159 A160 S304 T305 R336D159-G302 VanDerWaalsContact OD1-CA 3.3Å; D159-G302 WeakPolarHBondContact OD1-CA 3.48Å; D159-G302 PolarHBondContact OD1-N 3.32Å; D159-G302 VanDerWaalsContact OD1-N 3.17Å; A160-G302 CarbonylContact O-C 3.36Å; A160-G302 VanDerWaalsContact O-C 3.24Å; A160-G302 WeakPolarHBondContact O-CA 3.04Å; G302-S304 VanDerWaalsContact C-N 3.32Å; G302-S304 PolarHBondContact O-N 2.83Å; G302-T305 PolarHBondContact O-N 2.83Å; G302-T305 PolarHBondContact O-OG1 2.83Å; G302-R336 PolarHBondContact N-O 2.86Å; G302-R336 VanDerWaalsContact N-O 3.08Å
303G92.9Very high95.1Very high32 Ų3228.4 Ų28.433%0.3317%0.172SC..G310 helixtrans-63.8-30.1-170.400000114.6A160 T305 L306A160-G303 PolarHBondContact O-N 3.45Å; G303-T305 PolarHBondContact O-N 3.24Å; G303-L306 VanDerWaalsContact O-CB 3.28Å; G303-L306 WeakPolarHBondContact O-CB 3.21Å; G303-L306 PolarHBondContact O-N 3.26Å; G303-L306 VanDerWaalsContact O-N 3.15Å
304S95.1Very high95.2Very high8 Ų825.9 Ų25.96%0.05616%0.156CC..G310 helixtrans-72.2-18.9-179.8-61.30000112.7A160 G161 G187 G302 L306 L307A160-S304 WeakPolarHBondContact O-CB 3.46Å; A160-S304 PolarHBondContact O-N 2.87Å; G161-S304 PolarHBondContact O-OG 3.41Å; G187-S304 WeakPolarHBondContact CA-OG 3.23Å; G187-S304 PolarHBondContact N-OG 3.28Å; G302-S304 VanDerWaalsContact C-N 3.32Å; G302-S304 PolarHBondContact O-N 2.83Å; S304-L306 PolarHBondContact O-N 3.03Å; S304-L307 WeakPolarHBondContact O-CD1 3.43Å; S304-L307 WeakPolarHBondContact O-CG 3.5Å
305T95.7Very high95.2Very high1 Ų128 Ų281%0.00617%0.167CC..G310 helixtrans-77.9-2.2173.2740000113.6A160 L300 S301 G302 G303 L307 F310 R336A160-T305 HydrophobicContact CB-CG2 3.75Å; L300-T305 HydrophobicContact CB-CG2 4.45Å; S301-T305 WeakPolarHBondContact O-CG2 3.42Å; G302-T305 PolarHBondContact O-N 2.83Å; G302-T305 PolarHBondContact O-OG1 2.83Å; G303-T305 PolarHBondContact O-N 3.24Å; T305-L307 VanDerWaalsContact C-N 3.3Å; T305-F310 HydrophobicContact CG2-CD1 4.42Å; T305-F310 HydrophobicContact CG2-CE1 3.82Å; T305-F310 HydrophobicContact CG2-CE2 4.5Å; T305-F310 HydrophobicContact CG2-CZ 3.87Å; T305-R336 PolarHBondContact O-NE 3.35Å; T305-R336 PolarHBondContact O-NH2 2.81Å; T305-R336 WeakPolarHBondContact OG1-CD 3.33Å; T305-R336 PolarHBondContact OG1-NE 2.86Å
306L95.1Very high95.1Very high77 Ų7729.6 Ų29.640%0.40318%0.179SC..G310 helixtrans-80.9-10.2175.8-65.6169.1000113.1G303 S304 K308 R336 L337G303-L306 VanDerWaalsContact O-CB 3.28Å; G303-L306 WeakPolarHBondContact O-CB 3.21Å; G303-L306 PolarHBondContact O-N 3.26Å; G303-L306 VanDerWaalsContact O-N 3.15Å; S304-L306 PolarHBondContact O-N 3.03Å; L306-K308 PolarHBondContact O-N 3.15Å; L306-R336 HydrophobicContact CD2-CG 3.78Å; L306-R336 HydrophobicContact CG-CG 4.48Å; L306-L337 HydrophobicContact CD1-CB 4.33Å; L306-L337 HydrophobicContact CD1-CD1 4.41Å
307L93.9Very high95.1Very high20 Ų2029 Ų2911%0.10517%0.173CC..SBendtrans-55.8134.9176.7-72.2165.7000111C222 L224 P259 L262 S304 T305 G309 F310C222-L307 HydrophobicContact CB-CD2 4.08Å; L224-L307 HydrophobicContact CD1-CB 4.16Å; L224-L307 HydrophobicContact CD1-CD1 4.31Å; P259-L307 HydrophobicContact CB-CD1 3.98Å; P259-L307 HydrophobicContact CG-CD1 4.26Å; P259-L307 HydrophobicContact CG-CD2 4.24Å; L262-L307 HydrophobicContact CD1-CD1 4Å; S304-L307 WeakPolarHBondContact O-CD1 3.43Å; S304-L307 WeakPolarHBondContact O-CG 3.5Å; T305-L307 VanDerWaalsContact C-N 3.3Å; L307-G309 PolarHBondContact O-N 3.17Å; L307-F310 HydrophobicContact CB-CB 4.41Å; L307-F310 WeakPolarHBondContact O-CB 3.48Å; L307-F310 PolarHBondContact O-N 3.05Å; L307-F310 VanDerWaalsContact O-N 3.12Å
308K94.1Very high95.1Very high147 Ų14727.4 Ų27.464%0.63916%0.164SC*.BIsolated β-bridgetrans-60.3131.9179.1-63178.5-176.7175.70109.3L224 L306 F310L224-K308 PolarHBondContact N-O 3.15Å; L306-K308 PolarHBondContact O-N 3.15Å; K308-F310 VanDerWaalsContact C-N 3.31Å; K308-F310 PolarHBondContact O-N 2.93Å
309G93.6Very high94.9Very high29 Ų2933.7 Ų33.730%0.29919%0.191SC..THydrogen-bonded Turntrans81-0.3-178.300000115.6L307 G311 D312 R313L307-G309 PolarHBondContact O-N 3.17Å; G309-G311 PolarHBondContact O-N 3.09Å; G309-D312 PolarHBondContact O-N 3.41Å; G309-R313 WeakPolarHBondContact O-CB 2.96Å; G309-R313 PolarHBondContact O-N 3.4Å
310F95.6Very high94.7Very high2 Ų240 Ų401%0.00922%0.218CC..Hα-helixtrans-56.9-49.1-178.8-176-84000112.9L158 L224 L262 F263 I275 L300 T305 L307 K308 L314L158-F310 HydrophobicContact CD2-CE1 4.4Å; L158-F310 HydrophobicContact CD2-CZ 4.33Å; L224-F310 HydrophobicContact CD1-CB 3.83Å; L224-F310 HydrophobicContact CD1-CD2 3.47Å; L224-F310 VanDerWaalsContact CD1-CD2 3.47Å; L224-F310 HydrophobicContact CD1-CE2 4.43Å; L224-F310 HydrophobicContact CD1-CG 4.06Å; L262-F310 HydrophobicContact CD1-CE2 4.32Å; F263-F310 HydrophobicContact CE2-CE2 4.44Å; F263-F310 HydrophobicContact CZ-CE2 4.48Å; I275-F310 HydrophobicContact CD1-CE2 4.36Å; I275-F310 HydrophobicContact CD1-CZ 4.46Å; I275-F310 HydrophobicContact CG2-CZ 4.24Å; L300-F310 HydrophobicContact CD1-CD1 3.85Å; L300-F310 HydrophobicContact CD1-CE1 3.93Å; L300-F310 HydrophobicContact CD2-CE1 4.17Å; T305-F310 HydrophobicContact CG2-CD1 4.42Å; T305-F310 HydrophobicContact CG2-CE1 3.82Å; T305-F310 HydrophobicContact CG2-CE2 4.5Å; T305-F310 HydrophobicContact CG2-CZ 3.87Å; L307-F310 HydrophobicContact CB-CB 4.41Å; L307-F310 WeakPolarHBondContact O-CB 3.48Å; L307-F310 PolarHBondContact O-N 3.05Å; L307-F310 VanDerWaalsContact O-N 3.12Å; K308-F310 VanDerWaalsContact C-N 3.31Å; K308-F310 PolarHBondContact O-N 2.93Å; F310-L314 HydrophobicContact CE1-CD2 3.92Å; F310-L314 VanDerWaalsContact O-CB 3.29Å; F310-L314 WeakPolarHBondContact O-CB 3.4Å; F310-L314 PolarHBondContact O-N 2.93Å
311G94.9Very high94.5Very high27 Ų2743 Ų4328%0.27823%0.234SC..Hα-helixtrans-64-42.5-177.900000113.2G309 L314 L315G309-G311 PolarHBondContact O-N 3.09Å; G311-L314 PolarHBondContact O-N 2.82Å; G311-L315 VanDerWaalsContact O-CB 3.31Å; G311-L315 WeakPolarHBondContact O-CB 3.43Å; G311-L315 PolarHBondContact O-N 3.24Å
312D94.6Very high94.3Very high105 Ų10543.4 Ų43.456%0.56124%0.238SC*.Hα-helixtrans-68.8-42.3-179.5-59.5-43.8000111.5L226 G309 L315 S316L226-D312 HydrophobicContact CD2-CB 4Å; G309-D312 PolarHBondContact O-N 3.41Å; D312-L315 PolarHBondContact O-N 3.05Å; D312-S316 WeakPolarHBondContact O-CB 3.49Å; D312-S316 PolarHBondContact O-N 2.81Å
313R95.3Very high94.1Very high7 Ų746.9 Ų46.93%0.02626%0.259CS..Hα-helixtrans-61.4-48.7174.217657.3172.6-148.4-12.8111.2S225 L226 E260 F263 G309 L315 S316 E317S225-R313 WeakPolarHBondContact O-CD 3.02Å; L226-R313 PolarHBondContact O-NH1 2.84Å; E260-R313 IonicContact OE1-NH2 3.65Å; E260-R313 IonicContact OE2-CZ 2.81Å; E260-R313 IonicContact OE2-NH2 3.51Å; E260-R313 PolarHBondContact OE2-NH2 3.06Å; F263-R313 HydrophobicContact CD1-CG 4.17Å; F263-R313 HydrophobicContact CD2-CG 4.35Å; F263-R313 HydrophobicContact CE1-CG 3.7Å; F263-R313 HydrophobicContact CE2-CG 3.91Å; F263-R313 HydrophobicContact CG-CG 4.49Å; F263-R313 HydrophobicContact CZ-CB 4.25Å; F263-R313 HydrophobicContact CZ-CG 3.56Å; G309-R313 WeakPolarHBondContact O-CB 2.96Å; G309-R313 PolarHBondContact O-N 3.4Å; R313-L315 VanDerWaalsContact C-N 3.34Å; R313-L315 PolarHBondContact O-N 3.12Å; R313-S316 WeakPolarHBondContact O-CB 3.44Å; R313-S316 PolarHBondContact O-N 2.84Å; R313-E317 IonicContact CZ-OE1 2.8Å; R313-E317 IonicContact NE-OE1 3Å; R313-E317 IonicContact NH1-OE1 3.47Å; R313-E317 PolarHBondContact O-N 3.21Å
314L96.5Very high93.8Very high0 Ų055.5 Ų55.50%029%0.288CS..Hα-helixtrans-60.9-42.8177.3-176.564.5000111.8L158 F263 I275 H276 L279 L300 F310 G311 S316 E317 V318 I330L158-L314 HydrophobicContact CD2-CD1 4.27Å; L158-L314 HydrophobicContact CD2-CD2 3.48Å; L158-L314 VanDerWaalsContact CD2-CD2 3.48Å; F263-L314 HydrophobicContact CE1-CD1 4.35Å; F263-L314 HydrophobicContact CZ-CB 4.48Å; I275-L314 HydrophobicContact CG2-CD1 4.36Å; H276-L314 HydrophobicContact CB-CD1 3.89Å; L279-L314 HydrophobicContact CD2-CD1 4.16Å; L279-L314 HydrophobicContact CD2-CD2 4.11Å; L279-L314 HydrophobicContact CD2-CG 4.33Å; L300-L314 HydrophobicContact CD2-CD2 3.73Å; F310-L314 HydrophobicContact CE1-CD2 3.92Å; F310-L314 VanDerWaalsContact O-CB 3.29Å; F310-L314 WeakPolarHBondContact O-CB 3.4Å; F310-L314 PolarHBondContact O-N 2.93Å; G311-L314 PolarHBondContact O-N 2.82Å; L314-S316 VanDerWaalsContact C-N 3.33Å; L314-S316 PolarHBondContact O-N 2.93Å; L314-E317 PolarHBondContact O-N 3.46Å; L314-V318 HydrophobicContact CD1-CG2 3.96Å; L314-V318 HydrophobicContact CG-CG2 4.18Å; L314-V318 WeakPolarHBondContact O-CB 3.37Å; L314-V318 VanDerWaalsContact O-CG2 3.22Å; L314-V318 WeakPolarHBondContact O-CG2 3.26Å; L314-V318 PolarHBondContact O-N 3.12Å; L314-I330 HydrophobicContact CB-CD1 4.27Å; L314-I330 HydrophobicContact CD2-CD1 4.02Å; L314-I330 HydrophobicContact CG-CD1 3.97Å
315L95.5Very high93.4Very high46 Ų4662.4 Ų62.424%0.24132%0.324CS..Hα-helixtrans-61-42.6176.7-178.162.1000111.9G311 D312 R313 K319 I328 I330G311-L315 VanDerWaalsContact O-CB 3.31Å; G311-L315 WeakPolarHBondContact O-CB 3.43Å; G311-L315 PolarHBondContact O-N 3.24Å; D312-L315 PolarHBondContact O-N 3.05Å; R313-L315 VanDerWaalsContact C-N 3.34Å; R313-L315 PolarHBondContact O-N 3.12Å; L315-K319 HydrophobicContact CD1-CD 4.46Å; L315-K319 HydrophobicContact CD1-CG 4.44Å; L315-K319 HydrophobicContact CG-CD 4.28Å; L315-K319 WeakPolarHBondContact O-CB 3.44Å; L315-K319 VanDerWaalsContact O-CG 3.23Å; L315-K319 WeakPolarHBondContact O-CG 3.33Å; L315-K319 PolarHBondContact O-N 3.45Å; L315-I328 HydrophobicContact CD1-CB 4.03Å; L315-I328 HydrophobicContact CD1-CG2 3.57Å; L315-I330 HydrophobicContact CB-CD1 3.91Å; L315-I330 HydrophobicContact CD1-CD1 4.2Å; L315-I330 HydrophobicContact CD1-CG1 4.49Å
316S94.6Very high93.2Very high40 Ų4063.9 Ų63.928%0.2833%0.333SS..Hα-helixtrans-60.4-46.7176.8-177.80000111.6D312 R313 L314 K320D312-S316 WeakPolarHBondContact O-CB 3.49Å; D312-S316 PolarHBondContact O-N 2.81Å; R313-S316 WeakPolarHBondContact O-CB 3.44Å; R313-S316 PolarHBondContact O-N 2.84Å; L314-S316 VanDerWaalsContact C-N 3.33Å; L314-S316 PolarHBondContact O-N 2.93Å; S316-K320 WeakPolarHBondContact O-CG 3.39Å; S316-K320 PolarHBondContact O-N 2.52Å
317E94.8Very high93.1Very high22 Ų2268.2 Ų68.210%0.10335%0.348CS..Hα-helixtrans-70.7-43.8-179.5-65.4-53.2150.700112.8F263 H276 R313 L314 K319 K320 L321F263-E317 HydrophobicContact CD1-CG 4.11Å; F263-E317 HydrophobicContact CE1-CG 4.31Å; H276-E317 HydrophobicContact CB-CB 3.59Å; H276-E317 HydrophobicContact CB-CG 4.32Å; R313-E317 IonicContact CZ-OE1 2.8Å; R313-E317 IonicContact NE-OE1 3Å; R313-E317 IonicContact NH1-OE1 3.47Å; R313-E317 PolarHBondContact O-N 3.21Å; L314-E317 PolarHBondContact O-N 3.46Å; E317-K319 VanDerWaalsContact C-N 3.26Å; E317-K319 PolarHBondContact O-N 2.94Å; E317-K320 WeakPolarHBondContact O-CB 3.36Å; E317-K320 PolarHBondContact O-N 3.12Å; E317-K320 IonicContact OE1-NZ 2.82Å; E317-K320 PolarHBondContact OE1-NZ 2.95Å; E317-K320 WeakPolarHBondContact OE2-CD 3.31Å; E317-K320 IonicContact OE2-NZ 2.62Å; E317-K320 PolarHBondContact OE2-NZ 3.4Å; E317-L321 PolarHBondContact O-N 2.79Å
318V94.8Very high93.2Very high0 Ų068.6 Ų68.60%035%0.35CS..Hα-helixtrans-63-34.7177.4176.40000111L279 F295 L314 K320 L321 A322 I328L279-V318 HydrophobicContact CD2-CG2 3.86Å; F295-V318 HydrophobicContact CD1-CG1 4.21Å; F295-V318 HydrophobicContact CE1-CG1 4.04Å; L314-V318 HydrophobicContact CD1-CG2 3.96Å; L314-V318 HydrophobicContact CG-CG2 4.18Å; L314-V318 WeakPolarHBondContact O-CB 3.37Å; L314-V318 VanDerWaalsContact O-CG2 3.22Å; L314-V318 WeakPolarHBondContact O-CG2 3.26Å; L314-V318 PolarHBondContact O-N 3.12Å; V318-K320 PolarHBondContact O-N 3.44Å; V318-L321 PolarHBondContact O-N 3.12Å; V318-A322 HydrophobicContact CG1-CB 4.47Å; V318-A322 WeakPolarHBondContact O-CB 3.5Å; V318-A322 PolarHBondContact O-N 3.07Å; V318-I328 HydrophobicContact CG1-CD1 3.94Å; V318-I328 HydrophobicContact CG1-CG1 4.3Å; V318-I328 HydrophobicContact CG1-CG2 4.16Å
319K93.8Very high93.2Very high133 Ų13366.6 Ų66.658%0.57834%0.341SS*.Hα-helixtrans-61.8-28.9173.3-83.3175.2178.2179.60113.6L315 E317 I328L315-K319 HydrophobicContact CD1-CD 4.46Å; L315-K319 HydrophobicContact CD1-CG 4.44Å; L315-K319 HydrophobicContact CG-CD 4.28Å; L315-K319 WeakPolarHBondContact O-CB 3.44Å; L315-K319 VanDerWaalsContact O-CG 3.23Å; L315-K319 WeakPolarHBondContact O-CG 3.33Å; L315-K319 PolarHBondContact O-N 3.45Å; E317-K319 VanDerWaalsContact C-N 3.26Å; E317-K319 PolarHBondContact O-N 2.94Å; K319-I328 HydrophobicContact CB-CD1 4.21Å; K319-I328 HydrophobicContact CG-CD1 3.54Å
320K93.1Very high93.4Very high132 Ų13267 Ų6757%0.57434%0.337SS*.Hα-helixtrans-76.5-33.7176.4-62.2173.4-159.5161.90111.8S316 E317 V318S316-K320 WeakPolarHBondContact O-CG 3.39Å; S316-K320 PolarHBondContact O-N 2.52Å; E317-K320 WeakPolarHBondContact O-CB 3.36Å; E317-K320 PolarHBondContact O-N 3.12Å; E317-K320 IonicContact OE1-NZ 2.82Å; E317-K320 PolarHBondContact OE1-NZ 2.95Å; E317-K320 WeakPolarHBondContact OE2-CD 3.31Å; E317-K320 IonicContact OE2-NZ 2.62Å; E317-K320 PolarHBondContact OE2-NZ 3.4Å; V318-K320 PolarHBondContact O-N 3.44Å
321L92.8Very high93.3Very high66 Ų6667.9 Ų67.935%0.34634%0.343SS..Hα-helixtrans-88.5-29.1-177.3-63.3178.1000113.6E277 A280 E317 V318E277-L321 HydrophobicContact CG-CD1 4.06Å; A280-L321 HydrophobicContact CB-CB 4.11Å; A280-L321 HydrophobicContact CB-CD1 3.82Å; E317-L321 PolarHBondContact O-N 2.79Å; V318-L321 PolarHBondContact O-N 3.12Å
322A91.1Very high93.2Very high10 Ų1069.1 Ų69.18%0.08335%0.351CS..SBendtrans-80.6155-177.500000112.4F295 V318 I328F295-A322 HydrophobicContact CD1-CB 4.32Å; F295-A322 HydrophobicContact CE1-CB 3.8Å; F295-A322 HydrophobicContact CZ-CB 3.95Å; V318-A322 HydrophobicContact CG1-CB 4.47Å; V318-A322 WeakPolarHBondContact O-CB 3.5Å; V318-A322 PolarHBondContact O-N 3.07Å; A322-I328 HydrophobicContact CB-CD1 3.91Å; A322-I328 HydrophobicContact CB-CG1 4.43Å
323P89.1Confident93.1Very high81 Ų8165.7 Ų65.753%0.52633%0.334SS..  trans-60.3141.4171.9-1930.9000111.8D325 V326P323-D325 PolarHBondContact O-N 3.05Å; P323-V326 HydrophobicContact CB-CG2 4.09Å; P323-V326 HydrophobicContact CG-CG2 4.28Å; P323-V326 PolarHBondContact O-N 3.05Å
324K86.3Confident92.7Very high213 Ų21374.1 Ų74.193%0.92637%0.374SS*.THydrogen-bonded Turntrans-59.8-23.6-171.6-66.2-176.2179.8178.70114.7
325D85.9Confident92.2Very high152 Ų15278.4 Ų78.481%0.81339%0.394SS*.THydrogen-bonded Turntrans-93.74.8-175-57.2-39000113.9P323P323-D325 PolarHBondContact O-N 3.05Å
326V91.6Very high92Very high33 Ų3378.4 Ų78.420%0.239%0.39CS..  trans-98.1128.5-176.8-177.10000111.4F295 P323 I328F295-V326 HydrophobicContact CB-CG1 3.46Å; F295-V326 VanDerWaalsContact CB-CG1 3.46Å; F295-V326 HydrophobicContact CD2-CG1 3.79Å; F295-V326 HydrophobicContact CG-CG1 3.83Å; P323-V326 HydrophobicContact CB-CG2 4.09Å; P323-V326 HydrophobicContact CG-CG2 4.28Å; P323-V326 PolarHBondContact O-N 3.05Å; V326-I328 PolarHBondContact O-N 2.79Å
327K93.1Very high91.9Very high168 Ų16879.4 Ų79.473%0.7339%0.392SS*.  trans-76.2108.6172.3-174.9178.2-178.5176.80110.1
328I95.5Very high91.8Very high28 Ų2881.5 Ų81.514%0.14440%0.4CS..  trans-86.4128174.6-59.3155.9000109.3F295 I298 L315 V318 K319 A322 V326 I330F295-I328 HydrophobicContact CD1-CG1 4.4Å; F295-I328 WeakPolarHBondContact O-CA 3.27Å; I298-I328 HydrophobicContact CD1-CG2 3.98Å; L315-I328 HydrophobicContact CD1-CB 4.03Å; L315-I328 HydrophobicContact CD1-CG2 3.57Å; V318-I328 HydrophobicContact CG1-CD1 3.94Å; V318-I328 HydrophobicContact CG1-CG1 4.3Å; V318-I328 HydrophobicContact CG1-CG2 4.16Å; K319-I328 HydrophobicContact CB-CD1 4.21Å; K319-I328 HydrophobicContact CG-CD1 3.54Å; A322-I328 HydrophobicContact CB-CD1 3.91Å; A322-I328 HydrophobicContact CB-CG1 4.43Å; V326-I328 PolarHBondContact O-N 2.79Å; I328-I330 HydrophobicContact CG2-CG1 4.24Å
329K95.7Very high91.8Very high104 Ų10481.8 Ų81.845%0.45240%0.401SS..  trans-135116.3173.9173.5-173.8-178.5-172.80109.6F295 S296 I298F295-K329 PolarHBondContact O-N 3.34Å; S296-K329 WeakPolarHBondContact O-CB 3.43Å; I298-K329 PolarHBondContact N-O 2.83Å; I298-K329 VanDerWaalsContact N-O 3.12Å
330I96.1Very high91.9Very high39 Ų3975.8 Ų75.820%0.238%0.376CS..EExtended strand (participates in β ladder)trans-101.3123.2176.7-56.1178.8000107.7I298 L300 L314 L315 I328I298-I330 HydrophobicContact CB-CG1 4.23Å; I298-I330 HydrophobicContact CD1-CG1 4.11Å; I298-I330 HydrophobicContact CG2-CG1 4.28Å; I298-I330 HydrophobicContact CG2-CG2 4.32Å; L300-I330 HydrophobicContact CD1-CG2 3.71Å; L300-I330 HydrophobicContact CD2-CG2 3.95Å; L300-I330 HydrophobicContact CG-CG2 3.62Å; L314-I330 HydrophobicContact CB-CD1 4.27Å; L314-I330 HydrophobicContact CD2-CD1 4.02Å; L314-I330 HydrophobicContact CG-CD1 3.97Å; L315-I330 HydrophobicContact CB-CD1 3.91Å; L315-I330 HydrophobicContact CD1-CD1 4.2Å; L315-I330 HydrophobicContact CD1-CG1 4.49Å; I328-I330 HydrophobicContact CG2-CG1 4.24Å
331S94.6Very high92.1Very high20 Ų2069.5 Ų69.514%0.1435%0.349CS..EExtended strand (participates in β ladder)trans-107.1121.9177.7-54.60000108.9R152 I298 V299 L300R152-S331 PolarHBondContact NH1-OG 3.48Å; R152-S331 PolarHBondContact NH2-OG 2.82Å; I298-S331 WeakPolarHBondContact O-CB 3.45Å; I298-S331 PolarHBondContact O-N 3.22Å; V299-S331 WeakPolarHBondContact CA-O 3.47Å; L300-S331 PolarHBondContact N-O 3.04Å
332A93.6Very high92.3Very high53 Ų5367.5 Ų67.544%0.43834%0.338SS..  trans-116.8103.2176.900000108.7L300L300-A332 HydrophobicContact CB-CB 4.41Å; L300-A332 HydrophobicContact CD1-CB 4.19Å
333P91.5Very high92.5Very high33 Ų3367 Ų6721%0.21433%0.334CS..  trans-61.5150.6173.517.6-18.9000110.5T150 L300 E335 R336T150-P333 HydrophobicContact CG2-CG 4.23Å; L300-P333 WeakPolarHBondContact O-CD 3.28Å; P333-E335 VanDerWaalsContact C-N 3.33Å; P333-R336 HydrophobicContact CG-CB 3.89Å; P333-R336 WeakPolarHBondContact O-CB 3.18Å; P333-R336 WeakPolarHBondContact O-CG 3.38Å; P333-R336 PolarHBondContact O-N 3.07Å; P333-R336 PolarHBondContact O-NH1 3.27Å
334Q85.9Confident92.9Very high184 Ų18463.1 Ų63.186%0.8631%0.309SS*.THydrogen-bonded Turntrans-64.3-42.2178.4-69.7-172.2-10.200110.5R336Q334-R336 VanDerWaalsContact C-N 3.26Å; Q334-R336 PolarHBondContact O-N 3.13Å
335E87.5Confident93.4Very high90 Ų9053.1 Ų53.142%0.42127%0.266SS..THydrogen-bonded Turntrans-90.933.8-179.4-60.3179.3-176.600112.8P333 L337 Y338 S339 I342P333-E335 VanDerWaalsContact C-N 3.33Å; E335-L337 PolarHBondContact O-N 3.29Å; E335-Y338 PolarHBondContact O-N 3.4Å; E335-S339 PolarHBondContact O-N 3.47Å; E335-S339 VanDerWaalsContact O-N 3.09Å; E335-S339 PolarHBondContact O-OG 3.27Å; E335-I342 HydrophobicContact CB-CD1 4.16Å; E335-I342 WeakPolarHBondContact OE2-CD1 3.37Å
336R91.3Very high93.8Very high46 Ų4649.4 Ų49.417%0.17425%0.245CC..THydrogen-bonded Turntrans-63.4-11.2-176.764.8-174.2175.4-85.92.9115.8G302 T305 L306 P333 Q334 Y338 S339G302-R336 PolarHBondContact N-O 2.86Å; G302-R336 VanDerWaalsContact N-O 3.08Å; T305-R336 PolarHBondContact O-NE 3.35Å; T305-R336 PolarHBondContact O-NH2 2.81Å; T305-R336 WeakPolarHBondContact OG1-CD 3.33Å; T305-R336 PolarHBondContact OG1-NE 2.86Å; L306-R336 HydrophobicContact CD2-CG 3.78Å; L306-R336 HydrophobicContact CG-CG 4.48Å; P333-R336 HydrophobicContact CG-CB 3.89Å; P333-R336 WeakPolarHBondContact O-CB 3.18Å; P333-R336 WeakPolarHBondContact O-CG 3.38Å; P333-R336 PolarHBondContact O-N 3.07Å; P333-R336 PolarHBondContact O-NH1 3.27Å; Q334-R336 VanDerWaalsContact C-N 3.26Å; Q334-R336 PolarHBondContact O-N 3.13Å; R336-Y338 VanDerWaalsContact C-N 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.48Å
337L91Very high93.9Very high61 Ų6148.5 Ų48.532%0.31924%0.239SC..THydrogen-bonded Turntrans-68-32.2167.4-174.561.9000112.1K22 L306 E335K22-L337 WeakPolarHBondContact CE-O 3.02Å; L306-L337 HydrophobicContact CD1-CB 4.33Å; L306-L337 HydrophobicContact CD1-CD1 4.41Å; E335-L337 PolarHBondContact O-N 3.29Å
338Y94.1Very high94Very high66 Ų6640.8 Ų40.826%0.25921%0.207SC..THydrogen-bonded Turntrans-111.8-4.4-172.8-51.6-44000113K22 I30 P31 E335 R336 T340 W341 I342K22-Y338 HydrophobicContact CD-CD1 4.08Å; I30-Y338 HydrophobicContact CG2-CD2 4.21Å; I30-Y338 HydrophobicContact CG2-CE2 4.26Å; P31-Y338 HydrophobicContact CG-CD1 3.62Å; P31-Y338 HydrophobicContact CG-CD2 4.46Å; P31-Y338 HydrophobicContact CG-CE1 4.06Å; P31-Y338 HydrophobicContact CG-CG 3.84Å; E335-Y338 PolarHBondContact O-N 3.4Å; R336-Y338 VanDerWaalsContact C-N 3.3Å; Y338-T340 VanDerWaalsContact C-N 3.26Å; Y338-T340 PolarHBondContact O-N 3.44Å; Y338-T340 VanDerWaalsContact O-N 3.12Å; Y338-W341 WeakPolarHBondContact O-CA 3.3Å; Y338-W341 WeakPolarHBondContact O-CB 3.3Å; Y338-W341 PolarHBondContact O-N 2.99Å; Y338-I342 WeakPolarHBondContact O-CG1 3.37Å; Y338-I342 PolarHBondContact O-N 3.36Å
339S94.9Very high93.9Very high5 Ų542.6 Ų42.64%0.03522%0.222CC..Hα-helixtrans-50.2-42.5-175.6-690000113.9A149 E335 R336 W341 I342 G343A149-S339 WeakPolarHBondContact CB-O 3.46Å; E335-S339 PolarHBondContact O-N 3.47Å; E335-S339 VanDerWaalsContact O-N 3.09Å; E335-S339 PolarHBondContact O-OG 3.27Å; R336-S339 WeakPolarHBondContact CA-OG 3.48Å; S339-W341 PolarHBondContact O-N 3.2Å; S339-I342 PolarHBondContact O-N 3.34Å; S339-G343 PolarHBondContact O-N 3.28Å
340T95.8Very high93.7Very high7 Ų741.5 Ų41.54%0.04322%0.221CC..Hα-helixtrans-59.8-45.2175.9-52.20000112.4T111 Q142 L145 Y338 G344T111-T340 HydrophobicContact CG2-CG2 4.22Å; Q142-T340 HydrophobicContact CB-CG2 3.69Å; Q142-T340 HydrophobicContact CG-CG2 3.77Å; L145-T340 HydrophobicContact CB-CG2 4.33Å; L145-T340 WeakPolarHBondContact CB-O 3.43Å; L145-T340 HydrophobicContact CD1-CG2 4.35Å; Y338-T340 VanDerWaalsContact C-N 3.26Å; Y338-T340 PolarHBondContact O-N 3.44Å; Y338-T340 VanDerWaalsContact O-N 3.12Å; T340-G344 PolarHBondContact O-N 3.21Å; T340-G344 VanDerWaalsContact O-N 3.11Å
341W97.4Very high93.3Very high0 Ų046.4 Ų46.40%025%0.247CC..Hα-helixtrans-69.6-42.4179-172.692.3000111.6V13 D15 K22 D28 I30 P31 Y338 S339 G343 G344 S345V13-W341 HydrophobicContact CB-CZ2 4.18Å; V13-W341 HydrophobicContact CG1-CG 4.31Å; V13-W341 PolarHBondContact O-NE1 2.81Å; D15-W341 HydrophobicContact CB-CB 4.16Å; D15-W341 HydrophobicContact CB-CG 4.48Å; K22-W341 HydrophobicContact CB-CB 4.3Å; K22-W341 HydrophobicContact CB-CG 4.17Å; K22-W341 HydrophobicContact CD-CB 4.33Å; D28-W341 HydrophobicContact CB-CH2 4Å; D28-W341 WeakPolarHBondContact O-CZ3 3.45Å; I30-W341 VanDerWaalsContact C-CZ3 3.41Å; P31-W341 HydrophobicContact CB-CD2 3.61Å; P31-W341 HydrophobicContact CB-CE3 3.92Å; P31-W341 HydrophobicContact CB-CG 3.94Å; P31-W341 HydrophobicContact CB-CZ2 4.39Å; P31-W341 HydrophobicContact CB-CZ3 4.42Å; P31-W341 VanDerWaalsContact CD-CE3 3.43Å; P31-W341 HydrophobicContact CG-CD2 4.2Å; P31-W341 HydrophobicContact CG-CE3 4.21Å; P31-W341 HydrophobicContact CG-CG 4.39Å; Y338-W341 WeakPolarHBondContact O-CA 3.3Å; Y338-W341 WeakPolarHBondContact O-CB 3.3Å; Y338-W341 PolarHBondContact O-N 2.99Å; S339-W341 PolarHBondContact O-N 3.2Å; W341-G343 VanDerWaalsContact C-N 3.31Å; W341-G343 PolarHBondContact O-N 3.48Å; W341-G344 CarbonylContact O-C 3.51Å; W341-G344 WeakPolarHBondContact O-CA 3.38Å; W341-G344 PolarHBondContact O-N 2.7Å; W341-G344 VanDerWaalsContact O-N 3.08Å; W341-S345 PolarHBondContact O-N 3.38Å
342I96.6Very high93Very high24 Ų2449 Ų4912%0.12326%0.262CS..Hα-helixtrans-59.1-44.3176.7-65.2170.6000110.3Q29 A149 E335 Y338 S339 G344 S345 I346Q29-I342 WeakPolarHBondContact O-CG1 3.42Å; A149-I342 HydrophobicContact CB-CB 4.19Å; A149-I342 HydrophobicContact CB-CG2 4.05Å; E335-I342 HydrophobicContact CB-CD1 4.16Å; E335-I342 WeakPolarHBondContact OE2-CD1 3.37Å; Y338-I342 WeakPolarHBondContact O-CG1 3.37Å; Y338-I342 PolarHBondContact O-N 3.36Å; S339-I342 PolarHBondContact O-N 3.34Å; I342-G344 VanDerWaalsContact C-N 3.31Å; I342-G344 PolarHBondContact O-N 3.42Å; I342-S345 WeakPolarHBondContact O-CB 3.39Å; I342-S345 PolarHBondContact O-N 3.32Å; I342-I346 HydrophobicContact CG2-CD1 3.92Å; I342-I346 WeakPolarHBondContact O-CG1 3.48Å; I342-I346 PolarHBondContact O-N 2.96Å
343G95.8Very high92.7Very high0 Ų046.6 Ų46.60%024%0.242CC..Hα-helixtrans-61-39.9174.900000113L145 S339 W341 L347L145-G343 VanDerWaalsContact O-CA 3.28Å; L145-G343 WeakPolarHBondContact O-CA 3.31Å; S339-G343 PolarHBondContact O-N 3.28Å; W341-G343 VanDerWaalsContact C-N 3.31Å; W341-G343 PolarHBondContact O-N 3.48Å; G343-L347 VanDerWaalsContact O-CB 3.28Å; G343-L347 WeakPolarHBondContact O-CB 3.41Å; G343-L347 PolarHBondContact O-N 3.39Å
344G96.3Very high92.5Very high0 Ų049.7 Ų49.70%025%0.252CS..Hα-helixtrans-63.5-43.6172.300000112.8T340 W341 I342 L347 A348T340-G344 PolarHBondContact O-N 3.21Å; T340-G344 VanDerWaalsContact O-N 3.11Å; W341-G344 CarbonylContact O-C 3.51Å; W341-G344 WeakPolarHBondContact O-CA 3.38Å; W341-G344 PolarHBondContact O-N 2.7Å; W341-G344 VanDerWaalsContact O-N 3.08Å; I342-G344 VanDerWaalsContact C-N 3.31Å; I342-G344 PolarHBondContact O-N 3.42Å; G344-L347 PolarHBondContact O-N 3.21Å; G344-A348 WeakPolarHBondContact O-CB 3.3Å; G344-A348 PolarHBondContact O-N 2.94Å
345S96.8Very high92.6Very high3 Ų349.1 Ų49.12%0.02125%0.247CC..Hα-helixtrans-59.9-45.7176.3-177.70000111.7G27 D28 W341 I342 S349G27-S345 PolarHBondContact N-O 3.21Å; G27-S345 PolarHBondContact N-OG 3.19Å; D28-S345 PolarHBondContact N-OG 3.3Å; D28-S345 PolarHBondContact O-OG 2.91Å; W341-S345 PolarHBondContact O-N 3.38Å; I342-S345 WeakPolarHBondContact O-CB 3.39Å; I342-S345 PolarHBondContact O-N 3.32Å; S345-S349 WeakPolarHBondContact O-CB 3.39Å; S345-S349 PolarHBondContact O-N 3.21Å; S345-S349 VanDerWaalsContact O-N 3.15Å
346I95.1Very high92.7Very high73 Ų7347.7 Ų47.737%0.37424%0.241SC..Hα-helixtrans-62.7-53.2175.3-66.5165.4000109.9I342 A348 S349 L350I342-I346 HydrophobicContact CG2-CD1 3.92Å; I342-I346 WeakPolarHBondContact O-CG1 3.48Å; I342-I346 PolarHBondContact O-N 2.96Å; I346-A348 VanDerWaalsContact C-N 3.32Å; I346-A348 PolarHBondContact O-N 3.18Å; I346-S349 PolarHBondContact O-N 2.83Å; I346-S349 VanDerWaalsContact O-N 3.1Å; I346-S349 PolarHBondContact O-OG 3.44Å; I346-L350 WeakPolarHBondContact O-CG 3.38Å; I346-L350 PolarHBondContact O-N 3.43Å
347L94.1Very high92.7Very high15 Ų1546.2 Ų46.28%0.07924%0.235CC..Hα-helixtrans-58.4-44.4-177.4-178.464.6000111.8L109 F138 L145 G343 G344 S349 L350 F353 M356L109-L347 HydrophobicContact CD1-CB 4.48Å; L109-L347 HydrophobicContact CD1-CD2 4.24Å; F138-L347 HydrophobicContact CE1-CD2 3.85Å; L145-L347 HydrophobicContact CD2-CB 4.35Å; L145-L347 HydrophobicContact CD2-CD2 3.66Å; G343-L347 VanDerWaalsContact O-CB 3.28Å; G343-L347 WeakPolarHBondContact O-CB 3.41Å; G343-L347 PolarHBondContact O-N 3.39Å; G344-L347 PolarHBondContact O-N 3.21Å; L347-S349 VanDerWaalsContact C-N 3.26Å; L347-S349 PolarHBondContact O-N 2.88Å; L347-L350 HydrophobicContact CD1-CD1 4.33Å; L347-L350 PolarHBondContact O-N 3.2Å; L347-F353 HydrophobicContact CG-CD2 4.33Å; L347-F353 WeakPolarHBondContact O-CB 3.5Å; L347-M356 HydrophobicContact CD1-CE 3.79Å; L347-M356 HydrophobicContact CD1-SD 4.4Å
348A94.4Very high92.9Very high6 Ų643.5 Ų43.55%0.0522%0.221CC..Hα-helixtrans-70.2-21.4-179.200000113.5P11 V13 A26 L109 G344 I346 F353P11-A348 HydrophobicContact CB-CB 4.2Å; V13-A348 HydrophobicContact CG2-CB 4.03Å; A26-A348 HydrophobicContact CB-CB 3.55Å; L109-A348 HydrophobicContact CD1-CB 4.01Å; G344-A348 WeakPolarHBondContact O-CB 3.3Å; G344-A348 PolarHBondContact O-N 2.94Å; I346-A348 VanDerWaalsContact C-N 3.32Å; I346-A348 PolarHBondContact O-N 3.18Å; A348-F353 HydrophobicContact CB-CD1 4.04Å; A348-F353 HydrophobicContact CB-CE1 3.8Å; A348-F353 HydrophobicContact CB-CE2 4.42Å; A348-F353 HydrophobicContact CB-CG 4.47Å; A348-F353 HydrophobicContact CB-CZ 4.03Å; A348-F353 WeakPolarHBondContact O-CD1 3.44Å
349S93.2Very high92.9Very high66 Ų6641.5 Ų41.546%0.46222%0.217SC..Hα-helixtrans-81-13.3175.276.10000114S345 I346 L347S345-S349 WeakPolarHBondContact O-CB 3.39Å; S345-S349 PolarHBondContact O-N 3.21Å; S345-S349 VanDerWaalsContact O-N 3.15Å; I346-S349 PolarHBondContact O-N 2.83Å; I346-S349 VanDerWaalsContact O-N 3.1Å; I346-S349 PolarHBondContact O-OG 3.44Å; L347-S349 VanDerWaalsContact C-N 3.26Å; L347-S349 PolarHBondContact O-N 2.88Å
350L91.3Very high92.9Very high81 Ų8144 Ų4442%0.42423%0.227SC..SBendtrans-76.8140.9-179.5-60.8177.3000111.5I346 L347 T352 F353I346-L350 WeakPolarHBondContact O-CG 3.38Å; I346-L350 PolarHBondContact O-N 3.43Å; L347-L350 HydrophobicContact CD1-CD1 4.33Å; L347-L350 PolarHBondContact O-N 3.2Å; L350-T352 PolarHBondContact O-N 2.82Å; L350-T352 VanDerWaalsContact O-N 3.14Å; L350-F353 WeakPolarHBondContact O-CB 3.39Å; L350-F353 PolarHBondContact O-N 3.16Å
351D87.6Confident92.7Very high141 Ų14150.3 Ų50.375%0.75425%0.254SS*.THydrogen-bonded Turntrans-59.3-29.4176-68.5-40.1000113F353 K354D351-F353 PolarHBondContact O-N 2.81Å; D351-K354 PolarHBondContact O-N 2.95Å
352T88.4Confident92.5Very high75 Ų7551.8 Ų51.846%0.4626%0.261SS..THydrogen-bonded Turntrans-66-20.3175.849.80000113L350 K354 K355L350-T352 PolarHBondContact O-N 2.82Å; L350-T352 VanDerWaalsContact O-N 3.14Å; T352-K354 PolarHBondContact O-N 3.14Å; T352-K355 WeakPolarHBondContact O-CB 3.31Å; T352-K355 PolarHBondContact O-N 2.64Å; T352-K355 VanDerWaalsContact O-N 3.07Å
353F87.8Confident92.4Very high2 Ų251.4 Ų51.41%0.00926%0.258CS..Hα-helixtrans-58.7-34.7179-172.6-122.9000112.7P11 L109 F138 L347 A348 L350 D351 K355 M356 W357P11-F353 HydrophobicContact CB-CE1 4.08Å; P11-F353 HydrophobicContact CG-CD1 4.21Å; P11-F353 HydrophobicContact CG-CE1 4Å; L109-F353 HydrophobicContact CB-CZ 4.02Å; L109-F353 HydrophobicContact CD1-CE2 3.86Å; L109-F353 HydrophobicContact CD1-CZ 4.04Å; L109-F353 HydrophobicContact CG-CE2 4.46Å; L109-F353 HydrophobicContact CG-CZ 4.35Å; F138-F353 HydrophobicContact CB-CE2 3.82Å; F138-F353 HydrophobicContact CB-CZ 3.91Å; F138-F353 AromaticContact CD1-CE2 3.63Å; F138-F353 HydrophobicContact CD1-CE2 3.63Å; F138-F353 HydrophobicContact CD1-CZ 4.41Å; F138-F353 HydrophobicContact CE1-CE2 4.42Å; F138-F353 AromaticContact CG-CE2 3.89Å; F138-F353 HydrophobicContact CG-CE2 3.89Å; F138-F353 HydrophobicContact CG-CZ 4.47Å; L347-F353 HydrophobicContact CG-CD2 4.33Å; L347-F353 WeakPolarHBondContact O-CB 3.5Å; A348-F353 HydrophobicContact CB-CD1 4.04Å; A348-F353 HydrophobicContact CB-CE1 3.8Å; A348-F353 HydrophobicContact CB-CE2 4.42Å; A348-F353 HydrophobicContact CB-CG 4.47Å; A348-F353 HydrophobicContact CB-CZ 4.03Å; A348-F353 WeakPolarHBondContact O-CD1 3.44Å; L350-F353 WeakPolarHBondContact O-CB 3.39Å; L350-F353 PolarHBondContact O-N 3.16Å; D351-F353 PolarHBondContact O-N 2.81Å; F353-K355 PolarHBondContact O-N 3.05Å; F353-K355 VanDerWaalsContact O-N 3.07Å; F353-M356 PolarHBondContact O-N 3.23Å; F353-W357 AromaticContact CD1-CE3 3.46Å; F353-W357 HydrophobicContact CD1-CE3 3.46Å; F353-W357 VanDerWaalsContact CD1-CE3 3.46Å; F353-W357 AromaticContact CD1-CZ3 3.5Å; F353-W357 HydrophobicContact CD1-CZ3 3.5Å; F353-W357 VanDerWaalsContact CD1-CZ3 3.5Å; F353-W357 AromaticContact CE1-CE3 3.44Å; F353-W357 HydrophobicContact CE1-CE3 3.44Å; F353-W357 VanDerWaalsContact CE1-CE3 3.44Å; F353-W357 AromaticContact CE1-CZ3 3.74Å; F353-W357 HydrophobicContact CE1-CZ3 3.74Å; F353-W357 HydrophobicContact CG-CE3 4.23Å; F353-W357 HydrophobicContact CG-CZ3 4.47Å; F353-W357 HydrophobicContact CZ-CE3 4.19Å; F353-W357 PolarHBondContact O-N 3.23Å
354K86.6Confident92.3Very high98 Ų9856.8 Ų56.843%0.42628%0.283SS..Hα-helixtrans-58-25.4177.2-59.1-171.3175.5178.50113.5D351 T352 W357D351-K354 PolarHBondContact O-N 2.95Å; T352-K354 PolarHBondContact O-N 3.14Å; K354-W357 HydrophobicContact CB-CH2 4.05Å; K354-W357 HydrophobicContact CB-CZ2 3.84Å; K354-W357 HydrophobicContact CD-CH2 4.47Å; K354-W357 HydrophobicContact CG-CH2 3.58Å; K354-W357 HydrophobicContact CG-CZ2 3.82Å; K354-W357 HydrophobicContact CG-CZ3 4.23Å; K354-W357 PolarHBondContact O-NE1 2.79Å
355K88.1Confident92.1Very high173 Ų17363 Ų6375%0.75231%0.312SS*.Hα-helixtrans-85.9-20.2178.7-60.4-179.4-178.91770112.7T352 F353T352-K355 WeakPolarHBondContact O-CB 3.31Å; T352-K355 PolarHBondContact O-N 2.64Å; T352-K355 VanDerWaalsContact O-N 3.07Å; F353-K355 PolarHBondContact O-N 3.05Å; F353-K355 VanDerWaalsContact O-N 3.07Å
356M89.8Confident91.9Very high59 Ų5966 Ų6629%0.29133%0.328SS..Hα-helixtrans-91.4-32.6-172.8-63.3-171.4-110.500113.2F138 L347 F353 K374F138-M356 HydrophobicContact CD2-CB 4.1Å; F138-M356 WeakPolarHBondContact CD2-O 3.41Å; F138-M356 HydrophobicContact CE2-CB 3.89Å; F138-M356 HydrophobicContact CZ-CB 4.34Å; L347-M356 HydrophobicContact CD1-CE 3.79Å; L347-M356 HydrophobicContact CD1-SD 4.4Å; F353-M356 PolarHBondContact O-N 3.23Å; M356-K374 WeakPolarHBondContact O-CD 3.47Å
357W92.3Very high91.7Very high15 Ų1568.1 Ų68.16%0.05733%0.331CS..SBendtrans-70158.9-178.861.948.1000113A8 P11 P107 A136 F138 F353 K354 K374A8-W357 HydrophobicContact CB-CH2 3.65Å; A8-W357 HydrophobicContact CB-CZ2 4.21Å; P11-W357 HydrophobicContact CG-CZ3 4.46Å; P107-W357 HydrophobicContact CB-CE3 4.11Å; P107-W357 HydrophobicContact CB-CH2 4.48Å; P107-W357 HydrophobicContact CB-CZ3 3.94Å; P107-W357 HydrophobicContact CG-CH2 4.09Å; P107-W357 HydrophobicContact CG-CZ3 4Å; A136-W357 HydrophobicContact CB-CB 4.15Å; A136-W357 HydrophobicContact CB-CD2 3.92Å; A136-W357 HydrophobicContact CB-CG 3.69Å; F138-W357 HydrophobicContact CB-CB 4.07Å; F353-W357 AromaticContact CD1-CE3 3.46Å; F353-W357 HydrophobicContact CD1-CE3 3.46Å; F353-W357 VanDerWaalsContact CD1-CE3 3.46Å; F353-W357 AromaticContact CD1-CZ3 3.5Å; F353-W357 HydrophobicContact CD1-CZ3 3.5Å; F353-W357 VanDerWaalsContact CD1-CZ3 3.5Å; F353-W357 AromaticContact CE1-CE3 3.44Å; F353-W357 HydrophobicContact CE1-CE3 3.44Å; F353-W357 VanDerWaalsContact CE1-CE3 3.44Å; F353-W357 AromaticContact CE1-CZ3 3.74Å; F353-W357 HydrophobicContact CE1-CZ3 3.74Å; F353-W357 HydrophobicContact CG-CE3 4.23Å; F353-W357 HydrophobicContact CG-CZ3 4.47Å; F353-W357 HydrophobicContact CZ-CE3 4.19Å; F353-W357 PolarHBondContact O-N 3.23Å; K354-W357 HydrophobicContact CB-CH2 4.05Å; K354-W357 HydrophobicContact CB-CZ2 3.84Å; K354-W357 HydrophobicContact CD-CH2 4.47Å; K354-W357 HydrophobicContact CG-CH2 3.58Å; K354-W357 HydrophobicContact CG-CZ2 3.82Å; K354-W357 HydrophobicContact CG-CZ3 4.23Å; K354-W357 PolarHBondContact O-NE1 2.79Å; W357-K374 WeakPolarHBondContact O-CD 3.45Å; W357-K374 PolarHBondContact O-NZ 3.06Å
358V94.8Very high91.5Very high4 Ų468.7 Ų68.72%0.02434%0.338CS..EExtended strand (participates in β ladder)trans-95.1124.1167.5178.40000108F129 A136 L137 E362 A370 I371 K374F129-V358 HydrophobicContact CZ-CB 4.5Å; F129-V358 HydrophobicContact CZ-CG1 4.33Å; F129-V358 WeakPolarHBondContact CZ-O 3.46Å; A136-V358 CarbonylContact C-O 3.32Å; A136-V358 WeakPolarHBondContact CA-O 3.16Å; A136-V358 WeakPolarHBondContact CB-O 3.21Å; L137-V358 PolarHBondContact N-O 3.3Å; L137-V358 PolarHBondContact O-N 3.11Å; V358-E362 HydrophobicContact CG1-CB 4.15Å; V358-E362 HydrophobicContact CG1-CG 4.25Å; V358-A370 HydrophobicContact CG1-CB 3.8Å; V358-A370 HydrophobicContact CG2-CB 4.42Å; V358-I371 HydrophobicContact CB-CD1 3.96Å; V358-I371 HydrophobicContact CG1-CD1 3.96Å; V358-I371 HydrophobicContact CG2-CD1 4.02Å; V358-K374 HydrophobicContact CG2-CB 4.08Å; V358-K374 HydrophobicContact CG2-CD 3.84Å; V358-K374 HydrophobicContact CG2-CG 4.04Å
359S94.8Very high91.3Very high25 Ų2578.3 Ų78.318%0.17537%0.373CS..EExtended strand (participates in β ladder)trans-77.6157.1175.768.60000111.4K361 E362 Y363S359-K361 PolarHBondContact O-N 2.73Å; S359-E362 PolarHBondContact O-N 3.38Å; S359-E362 VanDerWaalsContact O-N 3.13Å; S359-E362 WeakPolarHBondContact OG-CB 3.07Å; S359-E362 PolarHBondContact OG-N 3.14Å; S359-E362 VanDerWaalsContact OG-N 3.14Å; S359-Y363 PolarHBondContact O-N 3.21Å
360K93.4Very high91.1Very high56 Ų5675.1 Ų75.124%0.24335%0.351CS..Hα-helixtrans-54.6-41.7174.9-171.2174.2-172.5173.70112.3F129 N133 P135 Y363 E364F129-K360 HydrophobicContact CD1-CB 4Å; F129-K360 HydrophobicContact CD1-CG 4.04Å; F129-K360 HydrophobicContact CE1-CB 4.1Å; N133-K360 PolarHBondContact OD1-NZ 2.91Å; P135-K360 PolarHBondContact O-N 2.64Å; K360-Y363 WeakPolarHBondContact O-CB 3.35Å; K360-Y363 PolarHBondContact O-N 2.82Å; K360-E364 WeakPolarHBondContact CE-OE1 3.27Å; K360-E364 WeakPolarHBondContact O-CG 3.46Å; K360-E364 PolarHBondContact O-N 2.7Å
361K92.5Very high91Very high140 Ų14071.5 Ų71.561%0.60933%0.332SS*.Hα-helixtrans-62.2-47.2175.9-176.3-179.8174.2-177.40112.5S359 Y363 E364 E365S359-K361 PolarHBondContact O-N 2.73Å; K361-Y363 PolarHBondContact O-N 3.07Å; K361-E364 PolarHBondContact O-N 3.32Å; K361-E365 WeakPolarHBondContact CE-OE1 3.34Å; K361-E365 WeakPolarHBondContact O-CG 3.41Å; K361-E365 PolarHBondContact O-N 3.32Å; K361-E365 VanDerWaalsContact O-N 3.09Å
362E93.3Very high91.1Very high31 Ų3167.3 Ų67.315%0.14531%0.308CS..Hα-helixtrans-61.5-36.2176.7-171.9-179.5-179.100111.1V358 S359 D366 A370 R373 K374V358-E362 HydrophobicContact CG1-CB 4.15Å; V358-E362 HydrophobicContact CG1-CG 4.25Å; S359-E362 PolarHBondContact O-N 3.38Å; S359-E362 VanDerWaalsContact O-N 3.13Å; S359-E362 WeakPolarHBondContact OG-CB 3.07Å; S359-E362 PolarHBondContact OG-N 3.14Å; S359-E362 VanDerWaalsContact OG-N 3.14Å; E362-D366 PolarHBondContact O-N 3.09Å; E362-A370 HydrophobicContact CG-CB 3.89Å; E362-R373 IonicContact OE1-CZ 3.77Å; E362-R373 IonicContact OE1-NH2 3.76Å; E362-R373 PolarHBondContact OE1-NH2 2.96Å; E362-K374 WeakPolarHBondContact OE1-CE 3.24Å; E362-K374 IonicContact OE1-NZ 3.28Å; E362-K374 PolarHBondContact OE1-NZ 3.46Å; E362-K374 WeakPolarHBondContact OE2-CE 3.27Å; E362-K374 IonicContact OE2-NZ 3.51Å; E362-K374 PolarHBondContact OE2-NZ 3.14Å
363Y94.2Very high90.9Very high16 Ų1670.7 Ų70.76%0.06331%0.312CS..Hα-helixtrans-69.2-39.6173.7178-100.5000112.9A125 E126 F129 E130 S359 K360 K361 E365 R367 I371A125-Y363 HydrophobicContact CB-CE2 4.29Å; E126-Y363 WeakPolarHBondContact CA-OH 3.42Å; F129-Y363 HydrophobicContact CB-CD1 3.58Å; F129-Y363 HydrophobicContact CB-CE1 3.64Å; F129-Y363 HydrophobicContact CB-CG 4.31Å; F129-Y363 HydrophobicContact CD1-CD1 4.41Å; F129-Y363 AromaticContact CD2-CD1 3.55Å; F129-Y363 HydrophobicContact CD2-CD1 3.55Å; F129-Y363 AromaticContact CD2-CD2 3.61Å; F129-Y363 HydrophobicContact CD2-CD2 3.61Å; F129-Y363 AromaticContact CD2-CE1 3.94Å; F129-Y363 HydrophobicContact CD2-CE1 3.94Å; F129-Y363 AromaticContact CD2-CE2 3.99Å; F129-Y363 HydrophobicContact CD2-CE2 3.99Å; F129-Y363 AromaticContact CD2-CG 3.37Å; F129-Y363 HydrophobicContact CD2-CG 3.37Å; F129-Y363 HydrophobicContact CE2-CD1 4.33Å; F129-Y363 AromaticContact CE2-CD2 3.82Å; F129-Y363 HydrophobicContact CE2-CD2 3.82Å; F129-Y363 AromaticContact CE2-CG 3.71Å; F129-Y363 HydrophobicContact CE2-CG 3.71Å; F129-Y363 AromaticContact CG-CD1 3.6Å; F129-Y363 HydrophobicContact CG-CD1 3.6Å; F129-Y363 HydrophobicContact CG-CD2 4.48Å; F129-Y363 HydrophobicContact CG-CE1 4.07Å; F129-Y363 AromaticContact CG-CG 3.84Å; F129-Y363 HydrophobicContact CG-CG 3.84Å; F129-Y363 HydrophobicContact CZ-CG 4.39Å; E130-Y363 HydrophobicContact CG-CE1 4.44Å; S359-Y363 PolarHBondContact O-N 3.21Å; K360-Y363 WeakPolarHBondContact O-CB 3.35Å; K360-Y363 PolarHBondContact O-N 2.82Å; K361-Y363 PolarHBondContact O-N 3.07Å; Y363-E365 VanDerWaalsContact C-N 3.29Å; Y363-E365 PolarHBondContact O-N 3.16Å; Y363-R367 WeakPolarHBondContact O-CA 3.28Å; Y363-R367 WeakPolarHBondContact O-CD 3.34Å; Y363-R367 PolarHBondContact O-N 3.06Å; Y363-I371 HydrophobicContact CD2-CD1 4.28Å; Y363-I371 HydrophobicContact CD2-CG1 4.26Å
364E93.1Very high90.6Very high113 Ų11373.4 Ų73.453%0.52832%0.324SS..Hα-helixtrans-64.6-34.4177.2-75170.8-176.300112.2K360 K361K360-E364 WeakPolarHBondContact CE-OE1 3.27Å; K360-E364 WeakPolarHBondContact O-CG 3.46Å; K360-E364 PolarHBondContact O-N 2.7Å; K361-E364 PolarHBondContact O-N 3.32Å
365E93.5Very high90Very high130 Ų13070 Ų7061%0.60731%0.312SS*.Hα-helixtrans-77.5-53.8178.2-68.8173.9-174.400112.8K361 Y363K361-E365 WeakPolarHBondContact CE-OE1 3.34Å; K361-E365 WeakPolarHBondContact O-CG 3.41Å; K361-E365 PolarHBondContact O-N 3.32Å; K361-E365 VanDerWaalsContact O-N 3.09Å; Y363-E365 VanDerWaalsContact C-N 3.29Å; Y363-E365 PolarHBondContact O-N 3.16Å
366D91.4Very high88.6Confident67 Ų6769.6 Ų69.636%0.35831%0.31SS..Hα-helixtrans-105.2-9.7-169.6-82.4-20.8000113.8E362 A368 R369 A370 R373E362-D366 PolarHBondContact O-N 3.09Å; D366-A368 PolarHBondContact O-N 3.18Å; D366-R369 WeakPolarHBondContact O-CB 3.49Å; D366-R369 PolarHBondContact O-N 2.91Å; D366-R369 VanDerWaalsContact O-N 3.15Å; D366-A370 HydrophobicContact CB-CB 3.83Å; D366-R373 IonicContact OD2-NH1 2.87Å; D366-R373 IonicContact OD2-NH2 2.97Å
367R91.5Very high88.6Confident118 Ų11870.2 Ų70.245%0.44531%0.311SS..THydrogen-bonded Turntrans50.5-131.2-179.3-63.1-72.8-172.9157.60.1111.7E130 Y363 R369 A370E130-R367 IonicContact OE1-CZ 2.76Å; E130-R367 IonicContact OE1-NH1 3.61Å; E130-R367 PolarHBondContact OE1-NH1 3.33Å; Y363-R367 WeakPolarHBondContact O-CA 3.28Å; Y363-R367 WeakPolarHBondContact O-CD 3.34Å; Y363-R367 PolarHBondContact O-N 3.06Å; R367-R369 PolarHBondContact O-N 3.02Å; R367-R369 VanDerWaalsContact O-N 3.13Å; R367-A370 PolarHBondContact O-N 2.89Å
368A88.8Confident88.4Confident27 Ų2773.1 Ų73.122%0.22332%0.324CS..Hα-helixtrans-55.8-29.6-178.800000113.9E122 D366 A370 I371 H372E122-A368 HydrophobicContact CG-CB 3.68Å; D366-A368 PolarHBondContact O-N 3.18Å; A368-A370 VanDerWaalsContact C-N 3.34Å; A368-A370 PolarHBondContact O-N 3.29Å; A368-I371 PolarHBondContact O-N 3.29Å; A368-H372 PolarHBondContact O-CD2 3.38Å; A368-H372 PolarHBondContact O-N 3Å
369R90Very high88Confident207 Ų20776.9 Ų76.978%0.78134%0.341SS*.Hα-helixtrans-66.9-36.1-176.4-64.6-178.4-177.81711.7112.1D366 R367 I371 H372 R373D366-R369 WeakPolarHBondContact O-CB 3.49Å; D366-R369 PolarHBondContact O-N 2.91Å; D366-R369 VanDerWaalsContact O-N 3.15Å; R367-R369 PolarHBondContact O-N 3.02Å; R367-R369 VanDerWaalsContact O-N 3.13Å; R369-I371 VanDerWaalsContact C-N 3.31Å; R369-I371 PolarHBondContact O-N 3.49Å; R369-H372 PolarHBondContact O-N 2.92Å; R369-R373 WeakPolarHBondContact O-CB 3.11Å; R369-R373 PolarHBondContact O-N 2.65Å; R369-R373 VanDerWaalsContact O-N 3.08Å
370A89.5Confident87.6Confident0 Ų079.9 Ų79.90%035%0.351CS..Hα-helixtrans-61.9-40.7176.300000111.9V358 E362 D366 R367 A368 R373 K374V358-A370 HydrophobicContact CG1-CB 3.8Å; V358-A370 HydrophobicContact CG2-CB 4.42Å; E362-A370 HydrophobicContact CG-CB 3.89Å; D366-A370 HydrophobicContact CB-CB 3.83Å; R367-A370 PolarHBondContact O-N 2.89Å; A368-A370 VanDerWaalsContact C-N 3.34Å; A368-A370 PolarHBondContact O-N 3.29Å; A370-R373 PolarHBondContact O-N 2.67Å; A370-K374 PolarHBondContact O-N 3.2Å
371I90.6Very high87.3Confident4 Ų481.4 Ų81.42%0.02136%0.358CS..Hα-helixtrans-63.3-52.8179-53.7-64.4000110R121 A125 F129 I139 V358 Y363 A368 R369 R373 K374 T375R121-I371 HydrophobicContact CG-CG2 3.96Å; A125-I371 HydrophobicContact CB-CD1 3.94Å; A125-I371 HydrophobicContact CB-CG1 3.99Å; F129-I371 HydrophobicContact CE2-CD1 3.97Å; I139-I371 HydrophobicContact CD1-CG2 4.21Å; V358-I371 HydrophobicContact CB-CD1 3.96Å; V358-I371 HydrophobicContact CG1-CD1 3.96Å; V358-I371 HydrophobicContact CG2-CD1 4.02Å; Y363-I371 HydrophobicContact CD2-CD1 4.28Å; Y363-I371 HydrophobicContact CD2-CG1 4.26Å; A368-I371 PolarHBondContact O-N 3.29Å; R369-I371 VanDerWaalsContact C-N 3.31Å; R369-I371 PolarHBondContact O-N 3.49Å; I371-R373 VanDerWaalsContact C-N 3.27Å; I371-R373 PolarHBondContact O-N 2.8Å; I371-K374 PolarHBondContact O-N 3.43Å; I371-T375 PolarHBondContact O-N 3.43Å; I371-T375 PolarHBondContact O-OG1 2.95Å; I371-T375 VanDerWaalsContact O-OG1 3.04Å
372H88.9Confident86.9Confident53 Ų5377.5 Ų77.525%0.24534%0.341CS..Hα-helixtrans-64.1-32-177.7-62.7-50.3000113.2R121 E122 A368 R369 K374R121-H372 PolarHBondContact NH1-ND1 3.24Å; E122-H372 IonicContact OE1-CD2 3.85Å; E122-H372 IonicContact OE1-CE1 2.72Å; E122-H372 IonicContact OE1-NE2 3.72Å; E122-H372 PolarHBondContact OE1-NE2 3.22Å; A368-H372 PolarHBondContact O-CD2 3.38Å; A368-H372 PolarHBondContact O-N 3Å; R369-H372 PolarHBondContact O-N 2.92Å; H372-K374 VanDerWaalsContact C-N 3.34Å; H372-K374 PolarHBondContact O-N 3.12Å
373R84.4Confident86.5Confident146 Ų14680.9 Ų80.955%0.55136%0.355SS*.Hα-helixtrans-67.1-30.2177.1-177.5176.468-154.5-4.9113.4E362 D366 R369 A370 I371E362-R373 IonicContact OE1-CZ 3.77Å; E362-R373 IonicContact OE1-NH2 3.76Å; E362-R373 PolarHBondContact OE1-NH2 2.96Å; D366-R373 IonicContact OD2-NH1 2.87Å; D366-R373 IonicContact OD2-NH2 2.97Å; R369-R373 WeakPolarHBondContact O-CB 3.11Å; R369-R373 PolarHBondContact O-N 2.65Å; R369-R373 VanDerWaalsContact O-N 3.08Å; A370-R373 PolarHBondContact O-N 2.67Å; I371-R373 VanDerWaalsContact C-N 3.27Å; I371-R373 PolarHBondContact O-N 2.8Å
374K81.6Confident85.9Confident60 Ų6085.8 Ų85.826%0.26138%0.377SS..Hα-helixtrans-100-9.7-175.9-65.2-153.9-169.9172.90114.4M356 W357 V358 E362 A370 I371 H372M356-K374 WeakPolarHBondContact O-CD 3.47Å; W357-K374 WeakPolarHBondContact O-CD 3.45Å; W357-K374 PolarHBondContact O-NZ 3.06Å; V358-K374 HydrophobicContact CG2-CB 4.08Å; V358-K374 HydrophobicContact CG2-CD 3.84Å; V358-K374 HydrophobicContact CG2-CG 4.04Å; E362-K374 WeakPolarHBondContact OE1-CE 3.24Å; E362-K374 IonicContact OE1-NZ 3.28Å; E362-K374 PolarHBondContact OE1-NZ 3.46Å; E362-K374 WeakPolarHBondContact OE2-CE 3.27Å; E362-K374 IonicContact OE2-NZ 3.51Å; E362-K374 PolarHBondContact OE2-NZ 3.14Å; A370-K374 PolarHBondContact O-N 3.2Å; I371-K374 PolarHBondContact O-N 3.43Å; H372-K374 VanDerWaalsContact C-N 3.34Å; H372-K374 PolarHBondContact O-N 3.12Å
375T73.8Confident85.3Confident27 Ų2783.6 Ų83.617%0.16637%0.365CS..Hα-helixtrans-90.5-14.3179.9-55.70000113.5I371I371-T375 PolarHBondContact O-N 3.43Å; I371-T375 PolarHBondContact O-OG1 2.95Å; I371-T375 VanDerWaalsContact O-OG1 3.04Å
376F59.4Low84.5Confident164 Ų16479.4 Ų79.472%0.71934%0.343SS*.  trans-137.90-178-65.4-77.2000113.7M141M141-F376 HydrophobicContact CE-CE1 4.19Å

Retrieved 376 of 376 residues in 174.6 ms (Link to these results)

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