A0A096LWF0_POEFO Loading...

Haloacid dehalogenase-like hydrolase domain-containing 5

AlphaFold DB , UniProt , Accession A0A096LWF0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 287 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
1M32.5Very low39.8Very low232 Ų232149.7 Ų149.7100%1.14376%0.763SS**  066.70-162.6-171.2-7600109.6
2W37.3Very low39.9Very low252 Ų252152.7 Ų152.796%0.95576%0.757SS**  trans-145.1102.6178.2-80.271.5000108.7
3S35.3Very low40.5Very low123 Ų123150.9 Ų150.986%0.8675%0.746SS**  trans-172.570.8166.5-90.40000108.7
4R42.9Very low41.2Very low257 Ų257144.1 Ų144.197%0.9773%0.726SS**  trans-147.385.5166.9-74.7-166.3175.7-161.6-1108.2
5G44.4Very low42Very low51 Ų51137.8 Ų137.853%0.52670%0.7SS.*SBendtrans-160.4-35.217800000114.7
6F42.3Very low42.9Very low185 Ų185133.8 Ų133.881%0.81169%0.685SS**Hα-helixtrans-82.8-20.6-172.3-81-85.4000115.5
7G35.8Very low43.9Very low51 Ų51129.8 Ų129.853%0.52667%0.668SS.*Hα-helixtrans-75.5-34.9-176.600000114.8V11G7-V11 WeakPolarHBondContact O-CB 3.49Å; G7-V11 WeakPolarHBondContact O-CG2 3.43Å; G7-V11 PolarHBondContact O-N 3.08Å
8L40.3Very low45Very low133 Ų133130.4 Ų130.470%0.69666%0.66SS**Hα-helixtrans-75.5-27.8-172.6-94.8141.7000113.7R12L8-R12 WeakPolarHBondContact O-CB 3.42Å; L8-R12 WeakPolarHBondContact O-CG 3.18Å; L8-R12 PolarHBondContact O-N 2.97Å; L8-R12 VanDerWaalsContact O-N 3.08Å
9Q39.5Very low47Very low144 Ų144127.5 Ų127.567%0.67364%0.644SS**Hα-helixtrans-80.3-39.6-177.5-143166.92.600111.8R12 Q13Q9-R12 PolarHBondContact O-N 2.87Å; Q9-Q13 PolarHBondContact O-N 3.46Å
10L40.5Very low49.2Very low119 Ų119122.9 Ų122.962%0.62362%0.622SS**Hα-helixtrans-65.7-41.7172.1-100.8148.8000112.2Q13 A14L10-Q13 PolarHBondContact O-N 2.94Å; L10-A14 VanDerWaalsContact O-CB 3.27Å; L10-A14 WeakPolarHBondContact O-CB 3.37Å; L10-A14 PolarHBondContact O-N 2.7Å
11V47Very low51.4Low100 Ų100117 Ų11761%0.60659%0.593SS**Hα-helixtrans-67.4-38176172.90000111.2G7 S15G7-V11 WeakPolarHBondContact O-CB 3.49Å; G7-V11 WeakPolarHBondContact O-CG2 3.43Å; G7-V11 PolarHBondContact O-N 3.08Å; V11-S15 VanDerWaalsContact O-CB 3.27Å; V11-S15 WeakPolarHBondContact O-CB 3.45Å; V11-S15 PolarHBondContact O-N 3.2Å; V11-S15 PolarHBondContact O-OG 3.44Å
12R41.1Very low54.4Low185 Ų185106.5 Ų106.570%0.69854%0.541SS*.Hα-helixtrans-65-47.1173-85.9-177.3168.6-170.4-2.9112.3L8 Q9 A14 S15 T16L8-R12 WeakPolarHBondContact O-CB 3.42Å; L8-R12 WeakPolarHBondContact O-CG 3.18Å; L8-R12 PolarHBondContact O-N 2.97Å; L8-R12 VanDerWaalsContact O-N 3.08Å; Q9-R12 PolarHBondContact O-N 2.87Å; R12-A14 PolarHBondContact O-N 3.1Å; R12-S15 WeakPolarHBondContact CA-OG 3.44Å; R12-S15 PolarHBondContact O-N 2.98Å; R12-S15 PolarHBondContact O-OG 3.34Å; R12-T16 PolarHBondContact O-N 3.08Å; R12-T16 PolarHBondContact O-OG1 3.35Å; R12-T16 VanDerWaalsContact O-OG1 3.1Å
13Q47.4Very low57.2Low130 Ų13094.9 Ų94.961%0.60750%0.498SS*.Hα-helixtrans-60.2-44.6175.4-97.4177-26.600112.2Q9 L10 S15 T16 V17Q9-Q13 PolarHBondContact O-N 3.46Å; L10-Q13 PolarHBondContact O-N 2.94Å; Q13-S15 VanDerWaalsContact C-N 3.31Å; Q13-S15 PolarHBondContact O-N 3.49Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.2Å; Q13-T16 PolarHBondContact O-N 3.22Å; Q13-T16 PolarHBondContact O-OG1 2.89Å; Q13-V17 WeakPolarHBondContact O-CG2 3.27Å; Q13-V17 PolarHBondContact O-N 3.11Å; Q13-V17 VanDerWaalsContact O-N 3.07Å
14A51.3Low60.1Low56 Ų5689.7 Ų89.746%0.46346%0.46SS..Hα-helixtrans-63.3-36.6175.700000112.4L10 R12L10-A14 VanDerWaalsContact O-CB 3.27Å; L10-A14 WeakPolarHBondContact O-CB 3.37Å; L10-A14 PolarHBondContact O-N 2.7Å; R12-A14 PolarHBondContact O-N 3.1Å
15S53.2Low62.5Low49 Ų4978 Ų7834%0.34342%0.416SS..Hα-helixtrans-70.2-34.8177.274.90000113.3V11 R12 Q13V11-S15 VanDerWaalsContact O-CB 3.27Å; V11-S15 WeakPolarHBondContact O-CB 3.45Å; V11-S15 PolarHBondContact O-N 3.2Å; V11-S15 PolarHBondContact O-OG 3.44Å; R12-S15 WeakPolarHBondContact CA-OG 3.44Å; R12-S15 PolarHBondContact O-N 2.98Å; R12-S15 PolarHBondContact O-OG 3.34Å; Q13-S15 VanDerWaalsContact C-N 3.31Å; Q13-S15 PolarHBondContact O-N 3.49Å
16T56.6Low64.8Low74 Ų7475.5 Ų75.545%0.45439%0.391SS..Hα-helixtrans-75.8-34.1177.646.50000112.8R12 Q13 R18 Q19R12-T16 PolarHBondContact O-N 3.08Å; R12-T16 PolarHBondContact O-OG1 3.35Å; R12-T16 VanDerWaalsContact O-OG1 3.1Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.2Å; Q13-T16 PolarHBondContact O-N 3.22Å; Q13-T16 PolarHBondContact O-OG1 2.89Å; T16-R18 PolarHBondContact O-N 3.07Å; T16-Q19 PolarHBondContact O-N 2.8Å; T16-Q19 VanDerWaalsContact O-N 3.09Å
17V59.4Low66.9Low66 Ų6669.2 Ų69.240%0.437%0.366SS..Hα-helixtrans-63.1-33.5177.5170.90000111.1Q13 Q19 L55Q13-V17 WeakPolarHBondContact O-CG2 3.27Å; Q13-V17 PolarHBondContact O-N 3.11Å; Q13-V17 VanDerWaalsContact O-N 3.07Å; V17-Q19 VanDerWaalsContact C-N 3.26Å; V17-Q19 PolarHBondContact O-N 2.87Å; V17-L55 WeakPolarHBondContact CG1-O 3.38Å
18R63.9Low69.2Low140 Ų14067.9 Ų67.953%0.52835%0.352SS..THydrogen-bonded Turntrans-81.57.9176.1-65.2-174.9176.7-177.2-4.3114.4T16 N269 H272T16-R18 PolarHBondContact O-N 3.07Å; R18-N269 PolarHBondContact O-ND2 3.05Å; R18-H272 HydrophobicContact CB-CB 4.33Å; R18-H272 WeakPolarHBondContact O-CB 3.31Å
19Q83.3Confident71.6Confident76 Ų7663 Ų6336%0.35533%0.327SS..THydrogen-bonded Turntrans-105.9-1.4174-65.6179.4-5.500112.8T16 V17 L274 S275 T276T16-Q19 PolarHBondContact O-N 2.8Å; T16-Q19 VanDerWaalsContact O-N 3.09Å; V17-Q19 VanDerWaalsContact C-N 3.26Å; V17-Q19 PolarHBondContact O-N 2.87Å; Q19-L274 CarbonylContact O-C 3.51Å; Q19-L274 WeakPolarHBondContact O-CA 3.47Å; Q19-S275 WeakPolarHBondContact CB-OG 3.49Å; Q19-S275 PolarHBondContact O-N 3.11Å; Q19-S275 PolarHBondContact O-OG 2.87Å; Q19-T276 PolarHBondContact O-N 3.31Å
20V90.8Very high74.2Confident34 Ų3456.3 Ų56.321%0.20630%0.296CS..EExtended strand (participates in β ladder)trans-106.4137.6-179.2178.20000109.8P57 T276 Y278V20-P57 WeakPolarHBondContact O-CD 3.38Å; V20-T276 WeakPolarHBondContact CA-O 3.39Å; V20-Y278 HydrophobicContact CG1-CD2 3.51Å; V20-Y278 HydrophobicContact CG1-CE2 3.52Å; V20-Y278 HydrophobicContact CG2-CE2 4.47Å
21G94.3Very high76.6Confident0 Ų050.7 Ų50.70%027%0.267CS..EExtended strand (participates in β ladder)trans-121.5155.4167.900000111P57 T276 I277 Y278G21-P57 WeakPolarHBondContact CA-O 3.47Å; G21-T276 PolarHBondContact N-O 3.3Å; G21-I277 WeakPolarHBondContact O-CA 3.1Å; G21-Y278 PolarHBondContact O-N 2.79Å
22V95.6Very high78.5Confident11 Ų1153.3 Ų53.37%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-129.9130.9179-174.40000111.1F24 F56 P57 V58 V59 Y278 V280V22-F24 HydrophobicContact CB-CE2 4.18Å; V22-F24 HydrophobicContact CG1-CD2 3.95Å; V22-F24 HydrophobicContact CG1-CE1 4.19Å; V22-F24 HydrophobicContact CG1-CE2 3.43Å; V22-F24 VanDerWaalsContact CG1-CE2 3.43Å; V22-F24 HydrophobicContact CG1-CZ 3.55Å; V22-F56 HydrophobicContact CB-CD2 4.19Å; V22-F56 HydrophobicContact CB-CE2 3.72Å; V22-F56 HydrophobicContact CG2-CD2 3.66Å; V22-F56 HydrophobicContact CG2-CE2 3.18Å; V22-F56 HydrophobicContact CG2-CZ 3.82Å; V22-P57 PolarHBondContact N-O 2.87Å; V22-V58 HydrophobicContact CB-CG2 4.49Å; V22-V58 WeakPolarHBondContact O-CA 3.34Å; V22-V59 PolarHBondContact O-N 3.4Å; V22-Y278 CarbonylContact C-O 3.53Å; V22-Y278 WeakPolarHBondContact CA-O 3.33Å; V22-V280 HydrophobicContact CG1-CG2 4.15Å
23L96.1Very high80.4Confident8 Ų845.4 Ų45.44%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-105.1122.4170.8-59.3-178.4000108.7V59 V61 Y258 A261 L265 I277 Y278 A279 V280L23-V59 CarbonylContact C-O 3.6Å; L23-V59 VanDerWaalsContact CA-O 3.31Å; L23-V59 WeakPolarHBondContact CA-O 3.42Å; L23-V59 HydrophobicContact CD2-CB 3.63Å; L23-V59 HydrophobicContact CD2-CG1 4.06Å; L23-V61 HydrophobicContact CD2-CG2 4.47Å; L23-Y258 HydrophobicContact CD1-CD1 3.66Å; L23-Y258 HydrophobicContact CD1-CE1 4.07Å; L23-A261 HydrophobicContact CD1-CB 4.13Å; L23-A261 HydrophobicContact CD2-CB 3.83Å; L23-L265 HydrophobicContact CD2-CD1 3.41Å; L23-L265 VanDerWaalsContact CD2-CD1 3.41Å; L23-L265 HydrophobicContact CD2-CD2 4.3Å; L23-L265 HydrophobicContact CD2-CG 3.83Å; L23-L265 HydrophobicContact CG-CD1 3.88Å; L23-I277 HydrophobicContact CD1-CG2 4.04Å; L23-I277 HydrophobicContact CG-CG2 3.9Å; L23-Y278 PolarHBondContact N-O 2.58Å; L23-A279 HydrophobicContact CB-CB 4.44Å; L23-V280 PolarHBondContact O-N 2.78Å
24F95.8Very high82.2Confident15 Ų1540.9 Ų40.97%0.06623%0.23CC..EExtended strand (participates in β ladder)trans-103.8123.1172-72.8-76.3000110.2V22 L30 L44 L47 V58 V59 F60 V61 V280V22-F24 HydrophobicContact CB-CE2 4.18Å; V22-F24 HydrophobicContact CG1-CD2 3.95Å; V22-F24 HydrophobicContact CG1-CE1 4.19Å; V22-F24 HydrophobicContact CG1-CE2 3.43Å; V22-F24 VanDerWaalsContact CG1-CE2 3.43Å; V22-F24 HydrophobicContact CG1-CZ 3.55Å; F24-L30 HydrophobicContact CB-CD1 3.9Å; F24-L30 HydrophobicContact CB-CG 4.5Å; F24-L30 HydrophobicContact CD1-CD2 4.29Å; F24-L30 HydrophobicContact CG-CD1 4.39Å; F24-L44 HydrophobicContact CD2-CD2 4.29Å; F24-L44 HydrophobicContact CE2-CD2 3.96Å; F24-L44 HydrophobicContact CZ-CD2 4.21Å; F24-L47 HydrophobicContact CE2-CD1 3.8Å; F24-L47 HydrophobicContact CZ-CD1 3.52Å; F24-V58 HydrophobicContact CD2-CG1 3.69Å; F24-V58 HydrophobicContact CE2-CG1 3.93Å; F24-V59 PolarHBondContact N-O 3.41Å; F24-F60 HydrophobicContact CB-CD1 3.94Å; F24-F60 HydrophobicContact CB-CE1 4.29Å; F24-F60 HydrophobicContact CD2-CE1 4.17Å; F24-F60 HydrophobicContact CG-CE1 4.47Å; F24-F60 CarbonylContact O-C 3.56Å; F24-F60 WeakPolarHBondContact O-CA 3.47Å; F24-V61 PolarHBondContact O-N 3.36Å; F24-V280 HydrophobicContact CD1-CB 3.74Å; F24-V280 HydrophobicContact CD1-CG1 4.07Å; F24-V280 HydrophobicContact CD1-CG2 4.08Å; F24-V280 HydrophobicContact CE1-CB 3.93Å; F24-V280 HydrophobicContact CE1-CG1 4.14Å; F24-V280 HydrophobicContact CE1-CG2 3.78Å; F24-V280 HydrophobicContact CZ-CG2 4.49Å
25D93.5Very high84Confident10 Ų1042 Ų425%0.05323%0.234CC..EExtended strand (participates in β ladder)trans-60.7141.5154.8-165.5-14.7000108.9D27 V29 L30 V61 K252 V280D25-D27 PolarHBondContact OD1-N 2.94Å; D25-V29 HydrophobicContact CB-CB 4.18Å; D25-V29 HydrophobicContact CB-CG2 3.82Å; D25-V29 VanDerWaalsContact O-CB 3.31Å; D25-V29 WeakPolarHBondContact O-CB 3.37Å; D25-V29 WeakPolarHBondContact O-CG1 3.45Å; D25-L30 WeakPolarHBondContact O-CG 3.24Å; D25-V61 WeakPolarHBondContact CA-O 3.19Å; D25-K252 IonicContact OD1-NZ 2.65Å; D25-K252 PolarHBondContact OD1-NZ 3.17Å; D25-K252 IonicContact OD2-NZ 3.21Å; D25-K252 PolarHBondContact OD2-NZ 3.25Å; D25-V280 WeakPolarHBondContact CB-O 3.37Å; D25-V280 PolarHBondContact N-O 3.25Å
26V92.9Very high86Confident0 Ų041.3 Ų41.30%023%0.228CC..  trans-85.9-53.2172.2178.40000110.5G28 V29 L30 L31 F60 V61 T62 L76V26-G28 PolarHBondContact O-N 3.38Å; V26-V29 PolarHBondContact O-N 3.5Å; V26-L30 PolarHBondContact O-N 3.06Å; V26-L31 HydrophobicContact CG1-CB 4.27Å; V26-L31 HydrophobicContact CG1-CD1 3.73Å; V26-L31 HydrophobicContact CG1-CG 3.88Å; V26-L31 PolarHBondContact O-N 3.16Å; V26-F60 HydrophobicContact CG2-CB 4.1Å; V26-V61 PolarHBondContact N-O 2.95Å; V26-V61 VanDerWaalsContact N-O 3.09Å; V26-T62 HydrophobicContact CG2-CG2 4.37Å; V26-L76 HydrophobicContact CG1-CD2 3.75Å; V26-L76 HydrophobicContact CG2-CD1 4.04Å; V26-L76 HydrophobicContact CG2-CD2 4.32Å
27D87.6Confident87.6Confident53 Ų5339.6 Ų39.628%0.28322%0.216SC..BIsolated β-bridgetrans-82.2119.3-165.6-54.2-67.3000109.9D25 V29 T62D25-D27 PolarHBondContact OD1-N 2.94Å; D27-V29 VanDerWaalsContact C-N 3.25Å; D27-V29 PolarHBondContact O-N 3.45Å; D27-T62 WeakPolarHBondContact OD2-CB 3.21Å; D27-T62 PolarHBondContact OD2-OG1 3.07Å
28G83.4Confident89.1Confident22 Ų2241.3 Ų41.323%0.22723%0.229CC..THydrogen-bonded Turntrans82.4-8.2-17500000115V26 L31 I37V26-G28 PolarHBondContact O-N 3.38Å; G28-L31 WeakPolarHBondContact CA-O 3.49Å; G28-L31 PolarHBondContact N-O 2.99Å; G28-I37 WeakPolarHBondContact O-CD1 3.36Å
29V90.8Very high90.5Very high30 Ų3037 Ų3718%0.18222%0.222CC..THydrogen-bonded Turntrans-113.9-52.4179.71720000112.2D25 V26 D27 I37 V280D25-V29 HydrophobicContact CB-CB 4.18Å; D25-V29 HydrophobicContact CB-CG2 3.82Å; D25-V29 VanDerWaalsContact O-CB 3.31Å; D25-V29 WeakPolarHBondContact O-CB 3.37Å; D25-V29 WeakPolarHBondContact O-CG1 3.45Å; V26-V29 PolarHBondContact O-N 3.5Å; D27-V29 VanDerWaalsContact C-N 3.25Å; D27-V29 PolarHBondContact O-N 3.45Å; V29-I37 WeakPolarHBondContact O-CD1 3.45Å; V29-V280 HydrophobicContact CG1-CG1 3.92Å
30L94Very high91Very high4 Ų433.6 Ų33.62%0.02121%0.207CC..THydrogen-bonded Turntrans-100.7-38.5177.6-60.2178.5000111.7F24 D25 V26 I37 A40 L44 F60 L80F24-L30 HydrophobicContact CB-CD1 3.9Å; F24-L30 HydrophobicContact CB-CG 4.5Å; F24-L30 HydrophobicContact CD1-CD2 4.29Å; F24-L30 HydrophobicContact CG-CD1 4.39Å; D25-L30 WeakPolarHBondContact O-CG 3.24Å; V26-L30 PolarHBondContact O-N 3.06Å; L30-I37 PolarHBondContact O-N 3.31Å; L30-A40 HydrophobicContact CB-CB 4.35Å; L30-A40 HydrophobicContact CD2-CB 3.85Å; L30-L44 HydrophobicContact CD2-CD1 4.24Å; L30-F60 HydrophobicContact CD1-CD1 3.51Å; L30-F60 HydrophobicContact CD1-CE1 3.6Å; L30-L80 HydrophobicContact CB-CD2 4.21Å; L30-L80 HydrophobicContact CD1-CD1 4Å
31L91.2Very high91.2Very high2 Ų236.6 Ų36.61%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-123.6155.6-179.3-55.2-175.6000111.2V26 G28 S35 V36 L76 L79 L80V26-L31 HydrophobicContact CG1-CB 4.27Å; V26-L31 HydrophobicContact CG1-CD1 3.73Å; V26-L31 HydrophobicContact CG1-CG 3.88Å; V26-L31 PolarHBondContact O-N 3.16Å; G28-L31 WeakPolarHBondContact CA-O 3.49Å; G28-L31 PolarHBondContact N-O 2.99Å; L31-S35 CarbonylContact C-O 3.53Å; L31-S35 VanDerWaalsContact CA-O 3.26Å; L31-S35 WeakPolarHBondContact CA-O 3.27Å; L31-V36 HydrophobicContact CD2-CB 4.31Å; L31-V36 HydrophobicContact CD2-CG2 3.81Å; L31-L76 HydrophobicContact CD1-CD2 3.81Å; L31-L76 HydrophobicContact CG-CD2 4.46Å; L31-L79 HydrophobicContact CD1-CD1 3.82Å; L31-L79 HydrophobicContact CD2-CB 4.35Å; L31-L79 HydrophobicContact CD2-CD1 3.99Å; L31-L80 HydrophobicContact CD2-CD2 4.39Å
32R86.1Confident91.1Very high155 Ų15543.8 Ų43.859%0.58524%0.242SC*.EExtended strand (participates in β ladder)trans-132.3115.6164.9-179.5180-69.4-178.1-3.1107.6G34 S35 I37R32-G34 PolarHBondContact O-N 2.85Å; R32-S35 PolarHBondContact N-O 2.72Å; R32-S35 PolarHBondContact O-N 2.88Å; R32-I37 HydrophobicContact CB-CG1 4.42Å
33G81.6Confident91Very high18 Ų1845.5 Ų45.519%0.18626%0.257CS..THydrogen-bonded Turntrans53.6-133.9-161.800000110.5S35 M215G33-S35 VanDerWaalsContact C-N 3.31Å; G33-S35 PolarHBondContact O-N 3.22Å; G33-M215 PolarHBondContact N-O 2.84Å
34G83.9Confident91Very high35 Ų3545.1 Ų45.136%0.36126%0.255SS..THydrogen-bonded Turntrans-78-3.3172.300000116.3R32 E217R32-G34 PolarHBondContact O-N 2.85Å; G34-E217 PolarHBondContact N-OE1 2.98Å
35S89.8Confident90.8Very high79 Ų7950.4 Ų50.455%0.55228%0.275SS*.EExtended strand (participates in β ladder)trans-102.1141.7-168.9-66.50000113.7L31 R32 G33L31-S35 CarbonylContact C-O 3.53Å; L31-S35 VanDerWaalsContact CA-O 3.26Å; L31-S35 WeakPolarHBondContact CA-O 3.27Å; R32-S35 PolarHBondContact N-O 2.72Å; R32-S35 PolarHBondContact O-N 2.88Å; G33-S35 VanDerWaalsContact C-N 3.31Å; G33-S35 PolarHBondContact O-N 3.22Å
36V94.6Very high90.8Very high35 Ų3557.9 Ų57.921%0.21231%0.307CS..EExtended strand (participates in β ladder)trans-73.8132.1178.5-179.80000111L31 A40 R41 L79 L80L31-V36 HydrophobicContact CD2-CB 4.31Å; L31-V36 HydrophobicContact CD2-CG2 3.81Å; V36-A40 HydrophobicContact CG1-CB 4.22Å; V36-R41 HydrophobicContact CG1-CG 3.98Å; V36-L79 HydrophobicContact CG2-CB 3.72Å; V36-L79 HydrophobicContact CG2-CD2 4.16Å; V36-L79 HydrophobicContact CG2-CG 4.44Å; V36-L79 VanDerWaalsContact CG2-O 3.24Å; V36-L79 WeakPolarHBondContact CG2-O 3.34Å; V36-L80 HydrophobicContact CG1-CD2 4.14Å
37I91.6Very high90.8Very high39 Ų3959.4 Ų59.420%0.232%0.315CS..PPolyproline II helixtrans-68.9126.5170.4-69.6169000108.2G28 V29 L30 R32 A39 A40G28-I37 WeakPolarHBondContact O-CD1 3.36Å; V29-I37 WeakPolarHBondContact O-CD1 3.45Å; L30-I37 PolarHBondContact O-N 3.31Å; R32-I37 HydrophobicContact CB-CG1 4.42Å; I37-A39 PolarHBondContact O-N 2.8Å; I37-A40 HydrophobicContact CB-CB 4.44Å; I37-A40 WeakPolarHBondContact O-CB 3.45Å; I37-A40 PolarHBondContact O-N 3.32Å
38P89.9Confident91.1Very high102 Ų10257.7 Ų57.766%0.66231%0.306SS*.Hα-helixtrans-55.2-29.2-169.9-30.735.5000115.6R42P38-R42 PolarHBondContact O-NH1 3.43Å; P38-R42 VanDerWaalsContact O-NH1 3.08Å
39A92.8Very high91.5Very high48 Ų4859.4 Ų59.440%0.39731%0.31SS..Hα-helixtrans-78-21.5177.800000113.8I37 R42 A43I37-A39 PolarHBondContact O-N 2.8Å; A39-R42 PolarHBondContact O-N 3.36Å; A39-A43 PolarHBondContact O-N 3.34Å
40A95Very high91.4Very high5 Ų567.2 Ų67.24%0.04135%0.345CS..Hα-helixtrans-60.9-50.2-172.800000112.3L30 V36 I37 R42 A43 L44 L80L30-A40 HydrophobicContact CB-CB 4.35Å; L30-A40 HydrophobicContact CD2-CB 3.85Å; V36-A40 HydrophobicContact CG1-CB 4.22Å; I37-A40 HydrophobicContact CB-CB 4.44Å; I37-A40 WeakPolarHBondContact O-CB 3.45Å; I37-A40 PolarHBondContact O-N 3.32Å; A40-R42 VanDerWaalsContact C-N 3.32Å; A40-R42 PolarHBondContact O-N 3.09Å; A40-A43 PolarHBondContact O-N 2.67Å; A40-A43 VanDerWaalsContact O-N 3.17Å; A40-L44 WeakPolarHBondContact O-CG 3.31Å; A40-L44 PolarHBondContact O-N 3.35Å; A40-L80 HydrophobicContact CB-CD2 4.06Å
41R94Very high91.2Very high97 Ų9773.2 Ų73.237%0.36638%0.377SS..Hα-helixtrans-58.8-43.5177-65.5-172.9176.4169.3-4.8112V36 A43 L44 R45 L79V36-R41 HydrophobicContact CG1-CG 3.98Å; R41-A43 VanDerWaalsContact C-N 3.32Å; R41-A43 PolarHBondContact O-N 2.9Å; R41-L44 PolarHBondContact O-N 2.92Å; R41-R45 WeakPolarHBondContact O-CB 3.36Å; R41-R45 VanDerWaalsContact O-CG 3.24Å; R41-R45 WeakPolarHBondContact O-CG 3.37Å; R41-R45 PolarHBondContact O-N 2.97Å; R41-L79 VanDerWaalsContact CZ-O 3.23Å; R41-L79 PolarHBondContact NE-O 2.85Å; R41-L79 PolarHBondContact NH2-O 3.44Å
42R93.1Very high91Very high152 Ų15277 Ų7757%0.57439%0.394SS*.Hα-helixtrans-65.3-36.5179.2-65.6-163.8-56.8-84.11.7112P38 A39 A40 K46P38-R42 PolarHBondContact O-NH1 3.43Å; P38-R42 VanDerWaalsContact O-NH1 3.08Å; A39-R42 PolarHBondContact O-N 3.36Å; A40-R42 VanDerWaalsContact C-N 3.32Å; A40-R42 PolarHBondContact O-N 3.09Å; R42-K46 WeakPolarHBondContact O-CG 3.49Å
43A94.1Very high91.2Very high46 Ų4672.7 Ų72.738%0.3839%0.388SS..Hα-helixtrans-68.2-52.4176.500000110.9A39 A40 R41 R45 K46A39-A43 PolarHBondContact O-N 3.34Å; A40-A43 PolarHBondContact O-N 2.67Å; A40-A43 VanDerWaalsContact O-N 3.17Å; R41-A43 VanDerWaalsContact C-N 3.32Å; R41-A43 PolarHBondContact O-N 2.9Å; A43-R45 VanDerWaalsContact C-N 3.35Å; A43-R45 PolarHBondContact O-N 2.88Å; A43-K46 WeakPolarHBondContact O-CB 3.44Å; A43-K46 PolarHBondContact O-N 3.02Å
44L94.8Very high91.8Very high0 Ų073.5 Ų73.50%039%0.387CS..Hα-helixtrans-63.6-36.5-177.5-68.1171.4000113F24 L30 A40 R41 K46 L47 V48 F54 F60 L80 V82F24-L44 HydrophobicContact CD2-CD2 4.29Å; F24-L44 HydrophobicContact CE2-CD2 3.96Å; F24-L44 HydrophobicContact CZ-CD2 4.21Å; L30-L44 HydrophobicContact CD2-CD1 4.24Å; A40-L44 WeakPolarHBondContact O-CG 3.31Å; A40-L44 PolarHBondContact O-N 3.35Å; R41-L44 PolarHBondContact O-N 2.92Å; L44-K46 PolarHBondContact O-N 2.95Å; L44-K46 VanDerWaalsContact O-N 3.16Å; L44-L47 HydrophobicContact CD2-CD1 4.34Å; L44-L47 WeakPolarHBondContact O-CA 3.38Å; L44-L47 WeakPolarHBondContact O-CB 3.47Å; L44-L47 PolarHBondContact O-N 3.32Å; L44-V48 PolarHBondContact O-N 3.09Å; L44-F54 HydrophobicContact CD2-CE1 4.4Å; L44-F60 HydrophobicContact CD1-CE1 4.41Å; L44-F60 HydrophobicContact CD2-CE1 4.12Å; L44-F60 HydrophobicContact CD2-CZ 4.24Å; L44-L80 HydrophobicContact CD1-CB 3.81Å; L44-L80 HydrophobicContact CD1-CD1 3.7Å; L44-L80 HydrophobicContact CD1-CD2 3.94Å; L44-L80 HydrophobicContact CD1-CG 4.01Å; L44-V82 HydrophobicContact CB-CG1 4.19Å; L44-V82 HydrophobicContact CD1-CG2 4.24Å
45R91.9Very high92.1Very high126 Ų12675.8 Ų75.848%0.47539%0.39SS..G310 helixtrans-59.4-25.4174.1-77.3176.6-173.7165.4-0.8113.8R41 A43 D81R41-R45 WeakPolarHBondContact O-CB 3.36Å; R41-R45 VanDerWaalsContact O-CG 3.24Å; R41-R45 WeakPolarHBondContact O-CG 3.37Å; R41-R45 PolarHBondContact O-N 2.97Å; A43-R45 VanDerWaalsContact C-N 3.35Å; A43-R45 PolarHBondContact O-N 2.88Å; R45-D81 IonicContact CZ-OD2 3.64Å; R45-D81 IonicContact NE-OD2 3.75Å; R45-D81 IonicContact NH2-OD2 2.72Å; R45-D81 PolarHBondContact NH2-OD2 2.83Å
46K93.2Very high92.2Very high167 Ų16773.8 Ų73.873%0.72637%0.371SS*.G310 helixtrans-78.2-11.5174.6-65.4177.4177.1-171.70112.9R42 A43 L44R42-K46 WeakPolarHBondContact O-CG 3.49Å; A43-K46 WeakPolarHBondContact O-CB 3.44Å; A43-K46 PolarHBondContact O-N 3.02Å; L44-K46 PolarHBondContact O-N 2.95Å; L44-K46 VanDerWaalsContact O-N 3.16Å
47L92.9Very high92.2Very high33 Ų3372.6 Ų72.617%0.17336%0.364CS..G310 helixtrans-105.3-0.6-175.5-48.5-176.1000112.6F24 L44 F54 L55 F56F24-L47 HydrophobicContact CE2-CD1 3.8Å; F24-L47 HydrophobicContact CZ-CD1 3.52Å; L44-L47 HydrophobicContact CD2-CD1 4.34Å; L44-L47 WeakPolarHBondContact O-CA 3.38Å; L44-L47 WeakPolarHBondContact O-CB 3.47Å; L44-L47 PolarHBondContact O-N 3.32Å; L47-F54 HydrophobicContact CB-CD1 4.27Å; L47-F54 CarbonylContact O-C 3.58Å; L47-F54 WeakPolarHBondContact O-CA 3.38Å; L47-L55 WeakPolarHBondContact O-CG 3.21Å; L47-L55 PolarHBondContact O-N 2.87Å; L47-F56 HydrophobicContact CB-CE1 4.33Å; L47-F56 HydrophobicContact CB-CE2 4.42Å; L47-F56 HydrophobicContact CB-CZ 3.85Å; L47-F56 HydrophobicContact CD1-CE2 4.08Å; L47-F56 HydrophobicContact CD1-CZ 3.7Å; L47-F56 HydrophobicContact CD2-CE1 3.82Å; L47-F56 HydrophobicContact CD2-CZ 3.42Å; L47-F56 VanDerWaalsContact CD2-CZ 3.42Å; L47-F56 HydrophobicContact CG-CE1 4.48Å; L47-F56 HydrophobicContact CG-CZ 3.8Å
48V93.5Very high92.4Very high16 Ų1670.7 Ų70.710%0.09736%0.355CS..BIsolated β-bridgetrans-114.2150.2177.4-600000110.6L44 S53 F54 V82L44-V48 PolarHBondContact O-N 3.09Å; V48-S53 CarbonylContact C-O 3.5Å; V48-S53 VanDerWaalsContact CA-O 3.26Å; V48-S53 WeakPolarHBondContact CA-O 3.42Å; V48-F54 HydrophobicContact CG1-CD1 3.69Å; V48-F54 HydrophobicContact CG1-CE1 3.75Å; V48-F54 HydrophobicContact CG1-CG 4.19Å; V48-F54 HydrophobicContact CG1-CZ 4.3Å; V48-V82 HydrophobicContact CG1-CG1 4.23Å
49D92.2Very high92.8Very high58 Ų5865.9 Ų65.931%0.3132%0.323SS..  trans-83.7-174.4173.572.35.7000112.5N51 Q52 S53 L55D49-N51 PolarHBondContact O-N 2.59Å; D49-N51 VanDerWaalsContact OD1-C 3.29Å; D49-N51 VanDerWaalsContact OD1-CA 3.28Å; D49-N51 WeakPolarHBondContact OD1-CA 3.46Å; D49-N51 WeakPolarHBondContact OD1-CB 3.42Å; D49-N51 PolarHBondContact OD1-N 2.86Å; D49-Q52 PolarHBondContact O-N 2.99Å; D49-Q52 VanDerWaalsContact O-N 3.09Å; D49-Q52 PolarHBondContact OD1-N 2.76Å; D49-S53 PolarHBondContact N-O 2.8Å; D49-S53 PolarHBondContact OD1-N 2.84Å; D49-L55 HydrophobicContact CB-CD2 3.86Å
50Q89.2Confident93Very high195 Ų19563.6 Ų63.691%0.91130%0.304SS*.THydrogen-bonded Turntrans-62.4-21.9178-64.3178.3-400113.1Q52Q50-Q52 VanDerWaalsContact C-N 3.35Å
51N89.4Confident93.1Very high130 Ų13063.4 Ų63.470%0.69530%0.303SS*.THydrogen-bonded Turntrans-94.713.2178.5-58.1-41.7000112.4D49 S53D49-N51 PolarHBondContact O-N 2.59Å; D49-N51 VanDerWaalsContact OD1-C 3.29Å; D49-N51 VanDerWaalsContact OD1-CA 3.28Å; D49-N51 WeakPolarHBondContact OD1-CA 3.46Å; D49-N51 WeakPolarHBondContact OD1-CB 3.42Å; D49-N51 PolarHBondContact OD1-N 2.86Å; N51-S53 PolarHBondContact O-N 3.48Å
52Q88Confident93.1Very high81 Ų8158.8 Ų58.838%0.37929%0.286SS..SBendtrans61.219.5-176.3-61.9-67.3-61.500114.2D49 Q50 Q83D49-Q52 PolarHBondContact O-N 2.99Å; D49-Q52 VanDerWaalsContact O-N 3.09Å; D49-Q52 PolarHBondContact OD1-N 2.76Å; Q50-Q52 VanDerWaalsContact C-N 3.35Å; Q52-Q83 HydrophobicContact CB-CG 4.42Å
53S90.6Very high93.1Very high65 Ų6551.9 Ų51.946%0.45526%0.26SS..  trans-92136.5175.9-64.40000110.3V48 D49 N51 L55V48-S53 CarbonylContact C-O 3.5Å; V48-S53 VanDerWaalsContact CA-O 3.26Å; V48-S53 WeakPolarHBondContact CA-O 3.42Å; D49-S53 PolarHBondContact N-O 2.8Å; D49-S53 PolarHBondContact OD1-N 2.84Å; N51-S53 PolarHBondContact O-N 3.48Å; S53-L55 PolarHBondContact O-N 3.47Å
54F92.9Very high93Very high35 Ų3550.9 Ų50.915%0.15425%0.251CS..BIsolated β-bridgetrans-63.7136177.3-73-76.2000111.5L44 L47 V48 F56 V58 F60 V82 Q83 I84 Q88L44-F54 HydrophobicContact CD2-CE1 4.4Å; L47-F54 HydrophobicContact CB-CD1 4.27Å; L47-F54 CarbonylContact O-C 3.58Å; L47-F54 WeakPolarHBondContact O-CA 3.38Å; V48-F54 HydrophobicContact CG1-CD1 3.69Å; V48-F54 HydrophobicContact CG1-CE1 3.75Å; V48-F54 HydrophobicContact CG1-CG 4.19Å; V48-F54 HydrophobicContact CG1-CZ 4.3Å; F54-F56 WeakPolarHBondContact CB-O 3.39Å; F54-F56 PolarHBondContact O-N 2.89Å; F54-V58 HydrophobicContact CB-CG2 4.26Å; F54-V58 HydrophobicContact CD1-CB 4.19Å; F54-V58 HydrophobicContact CD1-CG2 3.7Å; F54-V58 HydrophobicContact CD2-CB 4.47Å; F54-V58 HydrophobicContact CE1-CB 4.44Å; F54-V58 HydrophobicContact CE1-CG1 4.42Å; F54-V58 HydrophobicContact CE1-CG2 4.22Å; F54-V58 HydrophobicContact CG-CB 4.21Å; F54-V58 HydrophobicContact CG-CG2 3.99Å; F54-F60 HydrophobicContact CE1-CZ 4.49Å; F54-F60 HydrophobicContact CE2-CE2 4.33Å; F54-F60 HydrophobicContact CZ-CE2 4.08Å; F54-F60 AromaticContact CZ-CZ 3.83Å; F54-F60 HydrophobicContact CZ-CZ 3.83Å; F54-V82 HydrophobicContact CZ-CG2 4.33Å; F54-Q83 WeakPolarHBondContact CE2-O 3.26Å; F54-I84 HydrophobicContact CE2-CG1 4.44Å; F54-I84 HydrophobicContact CZ-CG1 4.46Å; F54-Q88 VanDerWaalsContact CD2-NE2 3.3Å
55L91.6Very high92.8Very high82 Ų8251.3 Ų51.343%0.42926%0.256SS..SBendtrans-69.2-20.3-179.6-63.9173.2000112.9V17 L47 D49 S53V17-L55 WeakPolarHBondContact CG1-O 3.38Å; L47-L55 WeakPolarHBondContact O-CG 3.21Å; L47-L55 PolarHBondContact O-N 2.87Å; D49-L55 HydrophobicContact CB-CD2 3.86Å; S53-L55 PolarHBondContact O-N 3.47Å
56F90.6Very high92.9Very high37 Ų3748 Ų4816%0.16225%0.252CS..SBendtrans-146.3163.5178.943.4-101.9000110V22 L47 F54 V58V22-F56 HydrophobicContact CB-CD2 4.19Å; V22-F56 HydrophobicContact CB-CE2 3.72Å; V22-F56 HydrophobicContact CG2-CD2 3.66Å; V22-F56 HydrophobicContact CG2-CE2 3.18Å; V22-F56 HydrophobicContact CG2-CZ 3.82Å; L47-F56 HydrophobicContact CB-CE1 4.33Å; L47-F56 HydrophobicContact CB-CE2 4.42Å; L47-F56 HydrophobicContact CB-CZ 3.85Å; L47-F56 HydrophobicContact CD1-CE2 4.08Å; L47-F56 HydrophobicContact CD1-CZ 3.7Å; L47-F56 HydrophobicContact CD2-CE1 3.82Å; L47-F56 HydrophobicContact CD2-CZ 3.42Å; L47-F56 VanDerWaalsContact CD2-CZ 3.42Å; L47-F56 HydrophobicContact CG-CE1 4.48Å; L47-F56 HydrophobicContact CG-CZ 3.8Å; F54-F56 WeakPolarHBondContact CB-O 3.39Å; F54-F56 PolarHBondContact O-N 2.89Å; F56-V58 HydrophobicContact CD2-CG2 3.55Å; F56-V58 HydrophobicContact CE2-CG2 3.52Å; F56-V58 PolarHBondContact O-N 3.46Å
57P94.5Very high93Very high10 Ų1041.4 Ų41.47%0.06523%0.227CC..  trans-55.3127.2172.8-3039.1000112.3V20 G21 V22 L265 Q268 N269 L274V20-P57 WeakPolarHBondContact O-CD 3.38Å; G21-P57 WeakPolarHBondContact CA-O 3.47Å; V22-P57 PolarHBondContact N-O 2.87Å; P57-L265 VanDerWaalsContact C-CD2 3.47Å; P57-L265 HydrophobicContact CB-CB 4.41Å; P57-L265 HydrophobicContact CB-CD2 3.67Å; P57-L265 WeakPolarHBondContact O-CD2 3.46Å; P57-Q268 HydrophobicContact CB-CB 4.08Å; P57-Q268 HydrophobicContact CG-CB 4.31Å; P57-N269 HydrophobicContact CG-CB 3.6Å; P57-L274 HydrophobicContact CG-CD2 4.29Å
58V95.9Very high93.2Very high0 Ų040.2 Ų40.20%022%0.22CC..EExtended strand (participates in β ladder)trans-129.7134.1179.2177.30000109.5V22 F24 F54 F56 F60 Q88 Q268V22-V58 HydrophobicContact CB-CG2 4.49Å; V22-V58 WeakPolarHBondContact O-CA 3.34Å; F24-V58 HydrophobicContact CD2-CG1 3.69Å; F24-V58 HydrophobicContact CE2-CG1 3.93Å; F54-V58 HydrophobicContact CB-CG2 4.26Å; F54-V58 HydrophobicContact CD1-CB 4.19Å; F54-V58 HydrophobicContact CD1-CG2 3.7Å; F54-V58 HydrophobicContact CD2-CB 4.47Å; F54-V58 HydrophobicContact CE1-CB 4.44Å; F54-V58 HydrophobicContact CE1-CG1 4.42Å; F54-V58 HydrophobicContact CE1-CG2 4.22Å; F54-V58 HydrophobicContact CG-CB 4.21Å; F54-V58 HydrophobicContact CG-CG2 3.99Å; F56-V58 HydrophobicContact CD2-CG2 3.55Å; F56-V58 HydrophobicContact CE2-CG2 3.52Å; F56-V58 PolarHBondContact O-N 3.46Å; V58-F60 HydrophobicContact CG1-CD2 4.3Å; V58-F60 HydrophobicContact CG1-CE1 4.43Å; V58-F60 HydrophobicContact CG1-CE2 3.72Å; V58-F60 HydrophobicContact CG1-CZ 3.8Å; V58-Q88 PolarHBondContact O-NE2 2.77Å; V58-Q268 VanDerWaalsContact N-OE1 3.11Å; V58-Q268 PolarHBondContact O-NE2 2.9Å; V58-Q268 PolarHBondContact O-OE1 2.91Å
59V97.7Very high93.3Very high0 Ų042.3 Ų42.30%023%0.227CC..EExtended strand (participates in β ladder)trans-129.4136.8170.3169.70000109.5V22 L23 F24 V61 Q88 V90 A261 L264 L265V22-V59 PolarHBondContact O-N 3.4Å; L23-V59 CarbonylContact C-O 3.6Å; L23-V59 VanDerWaalsContact CA-O 3.31Å; L23-V59 WeakPolarHBondContact CA-O 3.42Å; L23-V59 HydrophobicContact CD2-CB 3.63Å; L23-V59 HydrophobicContact CD2-CG1 4.06Å; F24-V59 PolarHBondContact N-O 3.41Å; V59-V61 HydrophobicContact CG1-CG2 4.13Å; V59-Q88 CarbonylContact C-O 3.59Å; V59-Q88 VanDerWaalsContact CA-O 3.3Å; V59-Q88 WeakPolarHBondContact CA-O 3.26Å; V59-V90 HydrophobicContact CG1-CB 4.39Å; V59-V90 HydrophobicContact CG1-CG2 3.57Å; V59-A261 HydrophobicContact CG1-CB 4.16Å; V59-L264 HydrophobicContact CG2-CB 3.88Å; V59-L265 HydrophobicContact CB-CD2 4.14Å; V59-L265 HydrophobicContact CB-CG 4.32Å; V59-L265 HydrophobicContact CG2-CD2 3.72Å; V59-L265 HydrophobicContact CG2-CG 3.85Å
60F97.5Very high93.6Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-100.4123.5176.1-60.1-88.7000108.8F24 V26 L30 L44 F54 V58 L76 L80 I84 Q88 V89 V90F24-F60 HydrophobicContact CB-CD1 3.94Å; F24-F60 HydrophobicContact CB-CE1 4.29Å; F24-F60 HydrophobicContact CD2-CE1 4.17Å; F24-F60 HydrophobicContact CG-CE1 4.47Å; F24-F60 CarbonylContact O-C 3.56Å; F24-F60 WeakPolarHBondContact O-CA 3.47Å; V26-F60 HydrophobicContact CG2-CB 4.1Å; L30-F60 HydrophobicContact CD1-CD1 3.51Å; L30-F60 HydrophobicContact CD1-CE1 3.6Å; L44-F60 HydrophobicContact CD1-CE1 4.41Å; L44-F60 HydrophobicContact CD2-CE1 4.12Å; L44-F60 HydrophobicContact CD2-CZ 4.24Å; F54-F60 HydrophobicContact CE1-CZ 4.49Å; F54-F60 HydrophobicContact CE2-CE2 4.33Å; F54-F60 HydrophobicContact CZ-CE2 4.08Å; F54-F60 AromaticContact CZ-CZ 3.83Å; F54-F60 HydrophobicContact CZ-CZ 3.83Å; V58-F60 HydrophobicContact CG1-CD2 4.3Å; V58-F60 HydrophobicContact CG1-CE1 4.43Å; V58-F60 HydrophobicContact CG1-CE2 3.72Å; V58-F60 HydrophobicContact CG1-CZ 3.8Å; F60-L76 HydrophobicContact CB-CD1 4.1Å; F60-L76 HydrophobicContact CG-CD1 4.37Å; F60-L80 HydrophobicContact CE1-CD1 4.33Å; F60-I84 HydrophobicContact CD2-CD1 4.14Å; F60-I84 HydrophobicContact CD2-CG1 4.36Å; F60-I84 HydrophobicContact CD2-CG2 3.66Å; F60-I84 HydrophobicContact CE1-CD1 4.06Å; F60-I84 HydrophobicContact CE2-CB 4.3Å; F60-I84 HydrophobicContact CE2-CD1 3.61Å; F60-I84 HydrophobicContact CE2-CG1 3.65Å; F60-I84 HydrophobicContact CE2-CG2 3.7Å; F60-I84 HydrophobicContact CZ-CD1 3.57Å; F60-I84 HydrophobicContact CZ-CG1 3.94Å; F60-Q88 HydrophobicContact CD2-CB 4.29Å; F60-Q88 PolarHBondContact N-O 3.09Å; F60-V89 WeakPolarHBondContact O-CA 3.24Å; F60-V90 PolarHBondContact O-N 3.2Å
61V96.6Very high94Very high2 Ų238.3 Ų38.31%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-115125.3-175.9-169.40000109.1L23 F24 D25 V26 V59 V90 K252 T257 A261L23-V61 HydrophobicContact CD2-CG2 4.47Å; F24-V61 PolarHBondContact O-N 3.36Å; D25-V61 WeakPolarHBondContact CA-O 3.19Å; V26-V61 PolarHBondContact N-O 2.95Å; V26-V61 VanDerWaalsContact N-O 3.09Å; V59-V61 HydrophobicContact CG1-CG2 4.13Å; V61-V90 WeakPolarHBondContact CA-O 3.33Å; V61-V90 HydrophobicContact CG1-CB 4.25Å; V61-V90 HydrophobicContact CG1-CG1 4.15Å; V61-V90 HydrophobicContact CG2-CB 4.28Å; V61-K252 HydrophobicContact CB-CD 4.34Å; V61-K252 HydrophobicContact CG1-CD 3.8Å; V61-K252 HydrophobicContact CG1-CG 3.67Å; V61-T257 HydrophobicContact CG1-CG2 3.84Å; V61-A261 HydrophobicContact CG2-CB 4.09Å
62T94.1Very high94.3Very high0 Ų032.8 Ų32.80%018%0.176CC..  trans-140.8148.7-179.9174.50000110.1V26 D27 A64 K72 V90 L91 S92V26-T62 HydrophobicContact CG2-CG2 4.37Å; D27-T62 WeakPolarHBondContact OD2-CB 3.21Å; D27-T62 PolarHBondContact OD2-OG1 3.07Å; T62-A64 HydrophobicContact CG2-CB 3.97Å; T62-A64 PolarHBondContact O-N 3.01Å; T62-A64 WeakPolarHBondContact OG1-CB 3.5Å; T62-A64 PolarHBondContact OG1-N 3.29Å; T62-A64 VanDerWaalsContact OG1-N 3.15Å; T62-K72 HydrophobicContact CG2-CG 4.45Å; T62-V90 PolarHBondContact N-O 2.87Å; T62-L91 HydrophobicContact CG2-CD2 3.61Å; T62-L91 CarbonylContact O-C 3.41Å; T62-S92 PolarHBondContact O-N 3.1Å; T62-S92 VanDerWaalsContact O-N 3.12Å
63N93.2Very high94.8Very high7 Ų729 Ų294%0.03716%0.158CC..  trans-84.48173.6-78.8-5.5000112.8G65 S92 N209 D211 G251 K252N63-G65 PolarHBondContact O-N 3.44Å; N63-S92 WeakPolarHBondContact O-CB 3.31Å; N63-S92 PolarHBondContact O-OG 2.85Å; N63-N209 PolarHBondContact ND2-OD1 3.26Å; N63-D211 WeakPolarHBondContact CB-OD2 3.46Å; N63-D211 PolarHBondContact ND2-OD1 3.11Å; N63-D211 VanDerWaalsContact ND2-OD1 3.1Å; N63-D211 PolarHBondContact ND2-OD2 3.4Å; N63-G251 VanDerWaalsContact OD1-CA 3.28Å; N63-G251 WeakPolarHBondContact OD1-CA 3.36Å; N63-K252 PolarHBondContact ND2-O 2.93Å; N63-K252 WeakPolarHBondContact OD1-CE 3.45Å; N63-K252 PolarHBondContact OD1-N 3.48Å
64A92.3Very high95.1Very high24 Ų2431.8 Ų31.820%0.19816%0.164CC..  trans-57.2119.8172.400000111.1T62 L91 S92T62-A64 HydrophobicContact CG2-CB 3.97Å; T62-A64 PolarHBondContact O-N 3.01Å; T62-A64 WeakPolarHBondContact OG1-CB 3.5Å; T62-A64 PolarHBondContact OG1-N 3.29Å; T62-A64 VanDerWaalsContact OG1-N 3.15Å; A64-L91 HydrophobicContact CB-CD2 4.31Å; A64-L91 WeakPolarHBondContact O-CB 3.41Å; A64-S92 PolarHBondContact O-N 3.25Å; A64-S92 PolarHBondContact O-OG 3.49Å
65G91.8Very high95.3Very high10 Ų1033.9 Ų33.910%0.10317%0.174CC..  trans-109.4-10.8-175.600000115.7N63 S92 H93N63-G65 PolarHBondContact O-N 3.44Å; G65-S92 WeakPolarHBondContact CA-OG 3.36Å; G65-S92 PolarHBondContact N-OG 2.93Å; G65-H93 PolarHBondContact O-CE1 3.43Å; G65-H93 PolarHBondContact O-ND1 3.34Å
66S93.3Very high95.6Very high56 Ų5630 Ų3039%0.39215%0.154SC..SBendtrans-102.413.1-165.258.30000115.6Q112 G113S66-Q112 VanDerWaalsContact CA-O 3.26Å; S66-Q112 WeakPolarHBondContact CA-O 3.29Å; S66-Q112 WeakPolarHBondContact CB-O 3.39Å; S66-G113 WeakPolarHBondContact O-CA 3.45Å
67C95.7Very high95.9Very high28 Ų2829 Ų2919%0.18915%0.152CC..SBendtrans-139.7164.2-176.467.80000112.2L91 H93C67-L91 WeakPolarHBondContact O-CD1 3.09Å; C67-H93 PolarHBondContact O-CE1 2.85Å
68L96.9Very high96Very high8 Ų836 Ų364%0.04218%0.183CC..  trans-79.7147.1172.2-61167.2000109.9H70 H71 K72 P114 Q117 I118L68-H70 VanDerWaalsContact C-N 3.27Å; L68-H70 VanDerWaalsContact CB-CE1 3.48Å; L68-H70 WeakPolarHBondContact CB-CE1 3.39Å; L68-H70 WeakPolarHBondContact CD1-CE1 3.48Å; L68-H70 PolarHBondContact O-N 2.82Å; L68-H71 PolarHBondContact O-N 3.45Å; L68-H71 VanDerWaalsContact O-N 3.07Å; L68-K72 PolarHBondContact O-N 2.85Å; L68-K72 VanDerWaalsContact O-N 3.11Å; L68-P114 HydrophobicContact CD1-CG 4.41Å; L68-P114 HydrophobicContact CD2-CG 4.48Å; L68-P114 HydrophobicContact CG-CG 4.14Å; L68-Q117 VanDerWaalsContact CD1-CD 3.49Å; L68-Q117 HydrophobicContact CD1-CG 4.28Å; L68-Q117 HydrophobicContact CD2-CB 4.46Å; L68-Q117 HydrophobicContact CD2-CG 4.09Å; L68-I118 HydrophobicContact CD2-CG1 3.81Å
69R96.2Very high96Very high61 Ų6137.5 Ų37.523%0.2319%0.191CC..Hα-helixtrans-52.2-42.9-178.9-169.7-178.6-64.2179-7.7113.2K72 A73 P86 V89 L91 S94 Y260R69-K72 PolarHBondContact O-N 2.97Å; R69-A73 WeakPolarHBondContact O-CB 3.35Å; R69-A73 PolarHBondContact O-N 3.3Å; R69-P86 WeakPolarHBondContact CD-O 3.28Å; R69-P86 HydrophobicContact CG-CB 4.33Å; R69-P86 VanDerWaalsContact CG-O 3.25Å; R69-P86 WeakPolarHBondContact CG-O 2.98Å; R69-V89 VanDerWaalsContact CD-O 3.28Å; R69-V89 WeakPolarHBondContact CD-O 3.43Å; R69-V89 HydrophobicContact CG-CB 3.96Å; R69-V89 HydrophobicContact CG-CG1 4.37Å; R69-V89 WeakPolarHBondContact CG-O 3.29Å; R69-V89 PolarHBondContact NE-O 3.14Å; R69-L91 HydrophobicContact CB-CD1 4.32Å; R69-S94 VanDerWaalsContact NH2-CB 3.35Å; R69-S94 PolarHBondContact NH2-OG 3.18Å; R69-S94 VanDerWaalsContact NH2-OG 3.1Å; R69-Y260 PolarHBondContact NH1-OH 3.48Å; R69-Y260 PolarHBondContact NH2-OH 3.12Å
70H97.3Very high95.9Very high73 Ų7337.5 Ų37.534%0.33819%0.191SC..Hα-helixtrans-67-38.818065.7-95000112.8L68 K72 A73 Q74 P86L68-H70 VanDerWaalsContact C-N 3.27Å; L68-H70 VanDerWaalsContact CB-CE1 3.48Å; L68-H70 WeakPolarHBondContact CB-CE1 3.39Å; L68-H70 WeakPolarHBondContact CD1-CE1 3.48Å; L68-H70 PolarHBondContact O-N 2.82Å; H70-K72 VanDerWaalsContact C-N 3.33Å; H70-K72 PolarHBondContact O-N 3.5Å; H70-A73 PolarHBondContact O-N 3.46Å; H70-Q74 WeakPolarHBondContact O-CG 3.44Å; H70-Q74 PolarHBondContact O-N 3.46Å; H70-P86 HydrophobicContact CB-CB 4.41Å; H70-P86 HydrophobicContact CB-CG 4Å
71H97.4Very high95.8Very high95 Ų9541.5 Ų41.544%0.4421%0.212SC..Hα-helixtrans-63.3-41.7174.9-69.2153000110.9L68 Q74 Q75L68-H71 PolarHBondContact O-N 3.45Å; L68-H71 VanDerWaalsContact O-N 3.07Å; H71-Q74 PolarHBondContact O-N 3.02Å; H71-Q75 WeakPolarHBondContact O-CB 3.37Å; H71-Q75 PolarHBondContact O-N 2.77Å
72K97.2Very high95.7Very high15 Ų1541.6 Ų41.67%0.06521%0.213CC..Hα-helixtrans-65-41.9176.4-169.362.3168.9-176.80111.9T62 L68 R69 H70 Q75 L76 V89 L91T62-K72 HydrophobicContact CG2-CG 4.45Å; L68-K72 PolarHBondContact O-N 2.85Å; L68-K72 VanDerWaalsContact O-N 3.11Å; R69-K72 PolarHBondContact O-N 2.97Å; H70-K72 VanDerWaalsContact C-N 3.33Å; H70-K72 PolarHBondContact O-N 3.5Å; K72-Q75 VanDerWaalsContact CD-OE1 3.31Å; K72-Q75 PolarHBondContact O-N 2.65Å; K72-L76 HydrophobicContact CD-CG 4.44Å; K72-L76 HydrophobicContact CG-CD1 4.16Å; K72-L76 HydrophobicContact CG-CG 4.35Å; K72-L76 WeakPolarHBondContact O-CB 3.29Å; K72-L76 VanDerWaalsContact O-CG 3.29Å; K72-L76 WeakPolarHBondContact O-CG 3.33Å; K72-L76 PolarHBondContact O-N 2.95Å; K72-V89 HydrophobicContact CB-CG1 4.16Å; K72-V89 HydrophobicContact CG-CG1 3.95Å; K72-L91 HydrophobicContact CB-CD2 3.94Å; K72-L91 HydrophobicContact CG-CD2 3.81Å
73A97.8Very high95.7Very high1 Ų148.1 Ų48.11%0.00824%0.243CC..Hα-helixtrans-61.3-43.9176.700000112.2R69 H70 L76 S77 I84 P86 V89R69-A73 WeakPolarHBondContact O-CB 3.35Å; R69-A73 PolarHBondContact O-N 3.3Å; H70-A73 PolarHBondContact O-N 3.46Å; A73-L76 PolarHBondContact O-N 3.18Å; A73-S77 WeakPolarHBondContact O-CB 3.3Å; A73-S77 PolarHBondContact O-N 3.02Å; A73-S77 PolarHBondContact O-OG 3.41Å; A73-I84 HydrophobicContact CB-CG2 4.4Å; A73-P86 HydrophobicContact CB-CG 4.42Å; A73-V89 HydrophobicContact CB-CG2 3.77Å
74Q98.1Very high95.9Very high123 Ų12348.2 Ų48.258%0.57524%0.244SC*.Hα-helixtrans-62.3-45.5174-73.1172.1-18.300112H70 H71 S77 H78H70-Q74 WeakPolarHBondContact O-CG 3.44Å; H70-Q74 PolarHBondContact O-N 3.46Å; H71-Q74 PolarHBondContact O-N 3.02Å; Q74-S77 PolarHBondContact O-N 3.22Å; Q74-H78 PolarHBondContact O-N 3.36Å
75Q96.9Very high96.1Very high80 Ų8048.9 Ų48.937%0.37425%0.249SC..Hα-helixtrans-58-50.9176.2-175.7-167.49.600110.9H71 K72 S77 H78 L79H71-Q75 WeakPolarHBondContact O-CB 3.37Å; H71-Q75 PolarHBondContact O-N 2.77Å; K72-Q75 VanDerWaalsContact CD-OE1 3.31Å; K72-Q75 PolarHBondContact O-N 2.65Å; Q75-S77 VanDerWaalsContact C-N 3.32Å; Q75-S77 PolarHBondContact O-N 3.11Å; Q75-H78 PolarHBondContact O-N 2.81Å; Q75-L79 HydrophobicContact CG-CD1 3.89Å; Q75-L79 HydrophobicContact CG-CG 4.47Å; Q75-L79 WeakPolarHBondContact O-CB 3.44Å; Q75-L79 VanDerWaalsContact O-CG 3.31Å; Q75-L79 WeakPolarHBondContact O-CG 3.5Å; Q75-L79 PolarHBondContact O-N 2.85Å
76L97.3Very high96.3Very high0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-62.9-40.3179.5-69.9177.5000111.3V26 L31 F60 K72 A73 H78 L79 L80 I84 V89V26-L76 HydrophobicContact CG1-CD2 3.75Å; V26-L76 HydrophobicContact CG2-CD1 4.04Å; V26-L76 HydrophobicContact CG2-CD2 4.32Å; L31-L76 HydrophobicContact CD1-CD2 3.81Å; L31-L76 HydrophobicContact CG-CD2 4.46Å; F60-L76 HydrophobicContact CB-CD1 4.1Å; F60-L76 HydrophobicContact CG-CD1 4.37Å; K72-L76 HydrophobicContact CD-CG 4.44Å; K72-L76 HydrophobicContact CG-CD1 4.16Å; K72-L76 HydrophobicContact CG-CG 4.35Å; K72-L76 WeakPolarHBondContact O-CB 3.29Å; K72-L76 VanDerWaalsContact O-CG 3.29Å; K72-L76 WeakPolarHBondContact O-CG 3.33Å; K72-L76 PolarHBondContact O-N 2.95Å; A73-L76 PolarHBondContact O-N 3.18Å; L76-H78 PolarHBondContact O-N 3.13Å; L76-L79 PolarHBondContact O-N 3.37Å; L76-L80 HydrophobicContact CB-CD1 4.22Å; L76-L80 HydrophobicContact CD2-CD1 4.22Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 3.36Å; L76-I84 HydrophobicContact CB-CD1 3.62Å; L76-V89 HydrophobicContact CD1-CG2 4.28Å
77S97Very high96.4Very high17 Ų1753.3 Ų53.312%0.11927%0.265CS..Hα-helixtrans-59.5-48.4178-60.10000111.5A73 Q74 Q75 D81 V82 I84A73-S77 WeakPolarHBondContact O-CB 3.3Å; A73-S77 PolarHBondContact O-N 3.02Å; A73-S77 PolarHBondContact O-OG 3.41Å; Q74-S77 PolarHBondContact O-N 3.22Å; Q75-S77 VanDerWaalsContact C-N 3.32Å; Q75-S77 PolarHBondContact O-N 3.11Å; S77-D81 WeakPolarHBondContact O-CA 3.39Å; S77-D81 PolarHBondContact O-N 3.07Å; S77-V82 CarbonylContact C-O 3.3Å; S77-V82 WeakPolarHBondContact CA-O 3.37Å; S77-V82 VanDerWaalsContact CB-O 3.22Å; S77-V82 WeakPolarHBondContact CB-O 3.38Å; S77-V82 PolarHBondContact O-N 2.75Å; S77-I84 WeakPolarHBondContact OG-CB 3.28Å; S77-I84 PolarHBondContact OG-N 3.49Å; S77-I84 PolarHBondContact OG-O 3.03Å
78H96.6Very high96.5Very high155 Ų15553 Ų5372%0.71826%0.261SS*.Hα-helixtrans-63.4-46.1178.4-18071.3000112.2Q74 Q75 L76Q74-H78 PolarHBondContact O-N 3.36Å; Q75-H78 PolarHBondContact O-N 2.81Å; L76-H78 PolarHBondContact O-N 3.13Å
79L95.8Very high96.5Very high32 Ų3252.6 Ų52.617%0.16826%0.259CS..Hα-helixtrans-67.5-41.9-178.7-72.9177.2000112L31 V36 R41 Q75 L76L31-L79 HydrophobicContact CD1-CD1 3.82Å; L31-L79 HydrophobicContact CD2-CB 4.35Å; L31-L79 HydrophobicContact CD2-CD1 3.99Å; V36-L79 HydrophobicContact CG2-CB 3.72Å; V36-L79 HydrophobicContact CG2-CD2 4.16Å; V36-L79 HydrophobicContact CG2-CG 4.44Å; V36-L79 VanDerWaalsContact CG2-O 3.24Å; V36-L79 WeakPolarHBondContact CG2-O 3.34Å; R41-L79 VanDerWaalsContact CZ-O 3.23Å; R41-L79 PolarHBondContact NE-O 2.85Å; R41-L79 PolarHBondContact NH2-O 3.44Å; Q75-L79 HydrophobicContact CG-CD1 3.89Å; Q75-L79 HydrophobicContact CG-CG 4.47Å; Q75-L79 WeakPolarHBondContact O-CB 3.44Å; Q75-L79 VanDerWaalsContact O-CG 3.31Å; Q75-L79 WeakPolarHBondContact O-CG 3.5Å; Q75-L79 PolarHBondContact O-N 2.85Å; L76-L79 PolarHBondContact O-N 3.37Å
80L95.8Very high96.6Very high0 Ų049.7 Ų49.70%025%0.248CC..Hα-helixtrans-92.3-7.2-171.8-61.1168.6000113.7L30 L31 V36 A40 L44 F60 L76 V82 I84L30-L80 HydrophobicContact CB-CD2 4.21Å; L30-L80 HydrophobicContact CD1-CD1 4Å; L31-L80 HydrophobicContact CD2-CD2 4.39Å; V36-L80 HydrophobicContact CG1-CD2 4.14Å; A40-L80 HydrophobicContact CB-CD2 4.06Å; L44-L80 HydrophobicContact CD1-CB 3.81Å; L44-L80 HydrophobicContact CD1-CD1 3.7Å; L44-L80 HydrophobicContact CD1-CD2 3.94Å; L44-L80 HydrophobicContact CD1-CG 4.01Å; F60-L80 HydrophobicContact CE1-CD1 4.33Å; L76-L80 HydrophobicContact CB-CD1 4.22Å; L76-L80 HydrophobicContact CD2-CD1 4.22Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 3.36Å; L80-V82 VanDerWaalsContact C-N 3.31Å; L80-V82 HydrophobicContact CB-CG2 3.82Å; L80-V82 PolarHBondContact O-N 3.32Å; L80-I84 HydrophobicContact CD1-CD1 3.95Å
81D94.2Very high96.6Very high85 Ų8546.2 Ų46.246%0.45523%0.232SC..THydrogen-bonded Turntrans58.344.7179-170.342.4000111.6R45 S77R45-D81 IonicContact CZ-OD2 3.64Å; R45-D81 IonicContact NE-OD2 3.75Å; R45-D81 IonicContact NH2-OD2 2.72Å; R45-D81 PolarHBondContact NH2-OD2 2.83Å; S77-D81 WeakPolarHBondContact O-CA 3.39Å; S77-D81 PolarHBondContact O-N 3.07Å
82V94.5Very high96.6Very high3 Ų341.7 Ų41.72%0.01821%0.211CC..SBendtrans-146.6152.6176.2-69.10000109.3L44 V48 F54 S77 L80 I84L44-V82 HydrophobicContact CB-CG1 4.19Å; L44-V82 HydrophobicContact CD1-CG2 4.24Å; V48-V82 HydrophobicContact CG1-CG1 4.23Å; F54-V82 HydrophobicContact CZ-CG2 4.33Å; S77-V82 CarbonylContact C-O 3.3Å; S77-V82 WeakPolarHBondContact CA-O 3.37Å; S77-V82 VanDerWaalsContact CB-O 3.22Å; S77-V82 WeakPolarHBondContact CB-O 3.38Å; S77-V82 PolarHBondContact O-N 2.75Å; L80-V82 VanDerWaalsContact C-N 3.31Å; L80-V82 HydrophobicContact CB-CG2 3.82Å; L80-V82 PolarHBondContact O-N 3.32Å; V82-I84 HydrophobicContact CG2-CD1 3.98Å; V82-I84 HydrophobicContact CG2-CG1 4Å
83Q94.8Very high96.6Very high137 Ų13741.3 Ų41.364%0.6421%0.209SC*.  trans-80.3120.6176.7-65.6-62.8-37.500110.5Q52 F54Q52-Q83 HydrophobicContact CB-CG 4.42Å; F54-Q83 WeakPolarHBondContact CE2-O 3.26Å
84I96.6Very high96.6Very high10 Ų1041.3 Ų41.35%0.05121%0.209CC..  trans-121.4116.4178.3-59.6170.6000108.4F54 F60 A73 L76 S77 L80 V82 Q88 V89F54-I84 HydrophobicContact CE2-CG1 4.44Å; F54-I84 HydrophobicContact CZ-CG1 4.46Å; F60-I84 HydrophobicContact CD2-CD1 4.14Å; F60-I84 HydrophobicContact CD2-CG1 4.36Å; F60-I84 HydrophobicContact CD2-CG2 3.66Å; F60-I84 HydrophobicContact CE1-CD1 4.06Å; F60-I84 HydrophobicContact CE2-CB 4.3Å; F60-I84 HydrophobicContact CE2-CD1 3.61Å; F60-I84 HydrophobicContact CE2-CG1 3.65Å; F60-I84 HydrophobicContact CE2-CG2 3.7Å; F60-I84 HydrophobicContact CZ-CD1 3.57Å; F60-I84 HydrophobicContact CZ-CG1 3.94Å; A73-I84 HydrophobicContact CB-CG2 4.4Å; L76-I84 HydrophobicContact CB-CD1 3.62Å; S77-I84 WeakPolarHBondContact OG-CB 3.28Å; S77-I84 PolarHBondContact OG-N 3.49Å; S77-I84 PolarHBondContact OG-O 3.03Å; L80-I84 HydrophobicContact CD1-CD1 3.95Å; V82-I84 HydrophobicContact CG2-CD1 3.98Å; V82-I84 HydrophobicContact CG2-CG1 4Å; I84-Q88 HydrophobicContact CG2-CB 4.1Å; I84-V89 HydrophobicContact CG2-CG2 3.83Å
85A96.4Very high96.6Very high38 Ų3835.4 Ų35.431%0.31418%0.182SC..  trans-77.5152.3176.500000111.3E87 Q88A85-E87 WeakPolarHBondContact CB-OE2 3.45Å; A85-E87 PolarHBondContact O-N 3.17Å; A85-Q88 HydrophobicContact CB-CG 4.23Å; A85-Q88 WeakPolarHBondContact O-CB 3.45Å; A85-Q88 PolarHBondContact O-N 3.31Å
86P96.8Very high96.6Very high44 Ų4431.6 Ų31.629%0.28616%0.164SC..G310 helixtrans-52.2-39.6176.2-26.535.3000113.1R69 H70 A73 Q88 V89R69-P86 WeakPolarHBondContact CD-O 3.28Å; R69-P86 HydrophobicContact CG-CB 4.33Å; R69-P86 VanDerWaalsContact CG-O 3.25Å; R69-P86 WeakPolarHBondContact CG-O 2.98Å; H70-P86 HydrophobicContact CB-CB 4.41Å; H70-P86 HydrophobicContact CB-CG 4Å; A73-P86 HydrophobicContact CB-CG 4.42Å; P86-Q88 PolarHBondContact O-N 3.3Å; P86-Q88 VanDerWaalsContact O-N 3.08Å; P86-V89 PolarHBondContact O-N 3.15Å
87E95.6Very high96.6Very high114 Ų11436 Ų3653%0.53318%0.184SC..G310 helixtrans-65.8-12-179.4-58.368.4-144.700113A85A85-E87 WeakPolarHBondContact CB-OE2 3.45Å; A85-E87 PolarHBondContact O-N 3.17Å
88Q97.1Very high96.5Very high22 Ų2238 Ų3810%0.10319%0.192CC..G310 helixtrans-92.22.7173.9-55.5-176.3-90.900112.4F54 V58 V59 F60 I84 A85 P86F54-Q88 VanDerWaalsContact CD2-NE2 3.3Å; V58-Q88 PolarHBondContact O-NE2 2.77Å; V59-Q88 CarbonylContact C-O 3.59Å; V59-Q88 VanDerWaalsContact CA-O 3.3Å; V59-Q88 WeakPolarHBondContact CA-O 3.26Å; F60-Q88 HydrophobicContact CD2-CB 4.29Å; F60-Q88 PolarHBondContact N-O 3.09Å; I84-Q88 HydrophobicContact CG2-CB 4.1Å; A85-Q88 HydrophobicContact CB-CG 4.23Å; A85-Q88 WeakPolarHBondContact O-CB 3.45Å; A85-Q88 PolarHBondContact O-N 3.31Å; P86-Q88 PolarHBondContact O-N 3.3Å; P86-Q88 VanDerWaalsContact O-N 3.08Å
89V98Very high96.5Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-116.8125.2-176.5-178.50000111.5F60 R69 K72 A73 L76 I84 P86 L91F60-V89 WeakPolarHBondContact O-CA 3.24Å; R69-V89 VanDerWaalsContact CD-O 3.28Å; R69-V89 WeakPolarHBondContact CD-O 3.43Å; R69-V89 HydrophobicContact CG-CB 3.96Å; R69-V89 HydrophobicContact CG-CG1 4.37Å; R69-V89 WeakPolarHBondContact CG-O 3.29Å; R69-V89 PolarHBondContact NE-O 3.14Å; K72-V89 HydrophobicContact CB-CG1 4.16Å; K72-V89 HydrophobicContact CG-CG1 3.95Å; A73-V89 HydrophobicContact CB-CG2 3.77Å; L76-V89 HydrophobicContact CD1-CG2 4.28Å; I84-V89 HydrophobicContact CG2-CG2 3.83Å; P86-V89 PolarHBondContact O-N 3.15Å; V89-L91 HydrophobicContact CG1-CD2 3.97Å; V89-L91 HydrophobicContact CG1-CG 4.32Å
90V98Very high96.6Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-108.6112.5170.8177.90000108.7V59 F60 V61 T62 T257 Y260 A261 L264V59-V90 HydrophobicContact CG1-CB 4.39Å; V59-V90 HydrophobicContact CG1-CG2 3.57Å; F60-V90 PolarHBondContact O-N 3.2Å; V61-V90 WeakPolarHBondContact CA-O 3.33Å; V61-V90 HydrophobicContact CG1-CB 4.25Å; V61-V90 HydrophobicContact CG1-CG1 4.15Å; V61-V90 HydrophobicContact CG2-CB 4.28Å; T62-V90 PolarHBondContact N-O 2.87Å; V90-T257 HydrophobicContact CG1-CG2 3.98Å; V90-Y260 HydrophobicContact CG1-CD1 4.08Å; V90-Y260 HydrophobicContact CG2-CD1 3.91Å; V90-Y260 HydrophobicContact CG2-CE1 4.2Å; V90-A261 HydrophobicContact CG2-CB 4.04Å; V90-L264 HydrophobicContact CG2-CD1 3.5Å
91L97.5Very high96.6Very high0 Ų042.2 Ų42.20%022%0.219CC..  trans-87.6163.5169.1-59.3-179.1000110.1T62 A64 C67 R69 K72 V89 H93 S94T62-L91 HydrophobicContact CG2-CD2 3.61Å; T62-L91 CarbonylContact O-C 3.41Å; A64-L91 HydrophobicContact CB-CD2 4.31Å; A64-L91 WeakPolarHBondContact O-CB 3.41Å; C67-L91 WeakPolarHBondContact O-CD1 3.09Å; R69-L91 HydrophobicContact CB-CD1 4.32Å; K72-L91 HydrophobicContact CB-CD2 3.94Å; K72-L91 HydrophobicContact CG-CD2 3.81Å; V89-L91 HydrophobicContact CG1-CD2 3.97Å; V89-L91 HydrophobicContact CG1-CG 4.32Å; L91-H93 VanDerWaalsContact CD1-CE1 3.48Å; L91-H93 WeakPolarHBondContact CD1-CE1 3.46Å; L91-H93 WeakPolarHBondContact CD1-NE2 3.44Å; L91-H93 PolarHBondContact O-N 3.37Å; L91-H93 VanDerWaalsContact O-N 3.13Å; L91-S94 PolarHBondContact N-OG 2.93Å; L91-S94 VanDerWaalsContact O-CB 3.25Å; L91-S94 WeakPolarHBondContact O-CB 3.33Å; L91-S94 PolarHBondContact O-N 2.94Å; L91-S94 PolarHBondContact O-OG 2.95Å
92S96.6Very high96.8Very high0 Ų038.6 Ų38.60%020%0.199CC..THydrogen-bonded Turntrans-49.9-42.2178.848.40000113.2T62 N63 A64 G65 P95 C208T62-S92 PolarHBondContact O-N 3.1Å; T62-S92 VanDerWaalsContact O-N 3.12Å; N63-S92 WeakPolarHBondContact O-CB 3.31Å; N63-S92 PolarHBondContact O-OG 2.85Å; A64-S92 PolarHBondContact O-N 3.25Å; A64-S92 PolarHBondContact O-OG 3.49Å; G65-S92 WeakPolarHBondContact CA-OG 3.36Å; G65-S92 PolarHBondContact N-OG 2.93Å; S92-P95 WeakPolarHBondContact O-CD 3.22Å; S92-C208 WeakPolarHBondContact CB-O 3.49Å
93H97.3Very high97Very high6 Ų639.5 Ų39.53%0.02820%0.204CC..THydrogen-bonded Turntrans-86.5-7.4-178.558.6-108.9000114.8G65 C67 L91 P95 L96 L122 F168 C208G65-H93 PolarHBondContact O-CE1 3.43Å; G65-H93 PolarHBondContact O-ND1 3.34Å; C67-H93 PolarHBondContact O-CE1 2.85Å; L91-H93 VanDerWaalsContact CD1-CE1 3.48Å; L91-H93 WeakPolarHBondContact CD1-CE1 3.46Å; L91-H93 WeakPolarHBondContact CD1-NE2 3.44Å; L91-H93 PolarHBondContact O-N 3.37Å; L91-H93 VanDerWaalsContact O-N 3.13Å; H93-P95 VanDerWaalsContact C-N 3.35Å; H93-L96 HydrophobicContact CB-CD1 4.14Å; H93-L96 VanDerWaalsContact O-CB 3.31Å; H93-L96 WeakPolarHBondContact O-CB 3.36Å; H93-L96 WeakPolarHBondContact O-CG 3.5Å; H93-L96 PolarHBondContact O-N 2.84Å; H93-L96 VanDerWaalsContact O-N 3.15Å; H93-L122 HydrophobicContact CB-CD1 4.28Å; H93-F168 HydrophobicContact CB-CD1 3.51Å; H93-F168 HydrophobicContact CB-CE1 3.79Å; H93-C208 HydrophobicContact CB-CB 4.29Å
94S97.7Very high97.2Very high1 Ų137.4 Ų37.41%0.00720%0.197CC..G310 helixtrans-56.8-37.6-176.5-730000114.9R69 L91 L96 H97R69-S94 VanDerWaalsContact NH2-CB 3.35Å; R69-S94 PolarHBondContact NH2-OG 3.18Å; R69-S94 VanDerWaalsContact NH2-OG 3.1Å; L91-S94 PolarHBondContact N-OG 2.93Å; L91-S94 VanDerWaalsContact O-CB 3.25Å; L91-S94 WeakPolarHBondContact O-CB 3.33Å; L91-S94 PolarHBondContact O-N 2.94Å; L91-S94 PolarHBondContact O-OG 2.95Å; S94-L96 PolarHBondContact O-N 2.9Å; S94-H97 WeakPolarHBondContact O-CB 3.37Å; S94-H97 PolarHBondContact O-N 2.8Å
95P97.2Very high97.3Very high0 Ų039.8 Ų39.80%021%0.207CC..G310 helixtrans-64.9-18.8179.5-23.135.2000114.6S92 H93 H97 M98 L250 F256 Y260S92-P95 WeakPolarHBondContact O-CD 3.22Å; H93-P95 VanDerWaalsContact C-N 3.35Å; P95-H97 PolarHBondContact O-N 2.73Å; P95-M98 HydrophobicContact CB-CE 4.36Å; P95-M98 PolarHBondContact O-N 3.17Å; P95-L250 HydrophobicContact CB-CD1 4.42Å; P95-L250 HydrophobicContact CB-CD2 4.39Å; P95-F256 HydrophobicContact CB-CD1 3.36Å; P95-F256 HydrophobicContact CB-CE1 3.55Å; P95-F256 HydrophobicContact CG-CD1 4.41Å; P95-F256 WeakPolarHBondContact O-CE1 3.11Å; P95-Y260 HydrophobicContact CB-CG 4.43Å; P95-Y260 HydrophobicContact CG-CD1 4.5Å; P95-Y260 HydrophobicContact CG-CG 4.4Å
96L97.7Very high97.3Very high0 Ų038.1 Ų38.10%019%0.192CC..G310 helixtrans-57.8-20.3174.5-68.5171.6000112.9H93 S94 M98 M99 H103 L122 F124 I166 F168 L206 L250H93-L96 HydrophobicContact CB-CD1 4.14Å; H93-L96 VanDerWaalsContact O-CB 3.31Å; H93-L96 WeakPolarHBondContact O-CB 3.36Å; H93-L96 WeakPolarHBondContact O-CG 3.5Å; H93-L96 PolarHBondContact O-N 2.84Å; H93-L96 VanDerWaalsContact O-N 3.15Å; S94-L96 PolarHBondContact O-N 2.9Å; L96-M98 PolarHBondContact O-N 2.62Å; L96-M99 HydrophobicContact CD2-SD 3.75Å; L96-M99 WeakPolarHBondContact O-CB 3.26Å; L96-M99 PolarHBondContact O-N 3.19Å; L96-H103 PolarHBondContact O-NE2 2.87Å; L96-H103 VanDerWaalsContact O-NE2 3.07Å; L96-L122 HydrophobicContact CB-CD1 4.11Å; L96-L122 HydrophobicContact CD1-CD1 3.98Å; L96-F124 HydrophobicContact CB-CE2 3.93Å; L96-F124 HydrophobicContact CB-CZ 4.27Å; L96-F124 HydrophobicContact CD1-CE2 4.26Å; L96-F124 HydrophobicContact CD2-CZ 4.31Å; L96-I166 HydrophobicContact CD1-CG2 3.73Å; L96-F168 HydrophobicContact CD1-CD1 4.25Å; L96-F168 HydrophobicContact CD1-CE1 3.62Å; L96-L206 HydrophobicContact CD2-CB 4.25Å; L96-L206 HydrophobicContact CD2-CD1 3.75Å; L96-L250 HydrophobicContact CD1-CD1 4.48Å; L96-L250 HydrophobicContact CD2-CD1 3.51Å; L96-L250 HydrophobicContact CG-CD1 3.52Å
97H96.6Very high97.4Very high92 Ų9236 Ų3643%0.42618%0.179SC..G310 helixtrans-57.2-30.9172.2-173.261.9000112.9S94 P95 M99 H103 L122 Y260S94-H97 WeakPolarHBondContact O-CB 3.37Å; S94-H97 PolarHBondContact O-N 2.8Å; P95-H97 PolarHBondContact O-N 2.73Å; H97-M99 VanDerWaalsContact C-N 3.3Å; H97-H103 PolarHBondContact O-CE1 3.44Å; H97-H103 VanDerWaalsContact O-CE1 3.3Å; H97-L122 HydrophobicContact CB-CD2 4.21Å; H97-L122 PolarHBondContact ND1-O 3.37Å; H97-Y260 HydrophobicContact CB-CE2 4.38Å
98M96Very high97.6Very high58 Ų5830.6 Ų30.629%0.28615%0.154SC..G310 helixtrans-83-4.5177.8-59.8-171.7-62.500113.4P95 L96 E100 F256 Y260 Q263P95-M98 HydrophobicContact CB-CE 4.36Å; P95-M98 PolarHBondContact O-N 3.17Å; L96-M98 PolarHBondContact O-N 2.62Å; M98-E100 VanDerWaalsContact C-N 3.33Å; M98-E100 PolarHBondContact O-N 3.15Å; M98-F256 HydrophobicContact CB-CZ 4.1Å; M98-F256 HydrophobicContact CE-CD1 4Å; M98-F256 HydrophobicContact CE-CD2 4.42Å; M98-F256 HydrophobicContact CE-CE1 3.54Å; M98-F256 HydrophobicContact CE-CE2 3.99Å; M98-F256 HydrophobicContact CE-CG 4.44Å; M98-F256 HydrophobicContact CE-CZ 3.54Å; M98-Y260 HydrophobicContact CE-CD2 3.84Å; M98-Y260 HydrophobicContact CE-CG 4.24Å; M98-Y260 HydrophobicContact CG-CD2 3.81Å; M98-Y260 HydrophobicContact CG-CE2 4.17Å; M98-Y260 HydrophobicContact SD-CD2 3.68Å; M98-Q263 PolarHBondContact SD-OE1 3.31Å
99M96.4Very high97.7Very high23 Ų2329.6 Ų29.611%0.11315%0.149CC..  trans-95.455-173.9-60.8-17071.200112L96 H97 T101 F102 H103 L206 A248 F256L96-M99 HydrophobicContact CD2-SD 3.75Å; L96-M99 WeakPolarHBondContact O-CB 3.26Å; L96-M99 PolarHBondContact O-N 3.19Å; H97-M99 VanDerWaalsContact C-N 3.3Å; M99-T101 PolarHBondContact O-N 2.96Å; M99-T101 VanDerWaalsContact O-N 3.09Å; M99-F102 HydrophobicContact CB-CD2 4.27Å; M99-F102 HydrophobicContact CE-CD2 3.83Å; M99-F102 HydrophobicContact CE-CE2 3.74Å; M99-F102 PolarHBondContact O-N 3.19Å; M99-H103 PolarHBondContact O-CD2 2.85Å; M99-H103 VanDerWaalsContact O-CD2 3.26Å; M99-H103 PolarHBondContact O-NE2 3.38Å; M99-L206 HydrophobicContact CE-CD1 4.23Å; M99-L206 HydrophobicContact CE-CD2 3.67Å; M99-L206 HydrophobicContact SD-CD1 4.37Å; M99-L206 HydrophobicContact SD-CD2 4.39Å; M99-A248 HydrophobicContact CE-CB 3.92Å; M99-A248 HydrophobicContact SD-CB 4.18Å; M99-F256 HydrophobicContact CG-CE1 4.18Å; M99-F256 HydrophobicContact CG-CZ 4.1Å; M99-F256 HydrophobicContact SD-CE1 4.45Å
100E97.2Very high97.7Very high144 Ų14429.6 Ų29.667%0.67315%0.149SC*.Hα-helixtrans-56.3-29.9-173.8-62.8-178.9-175.600113.7M98 F102 H103M98-E100 VanDerWaalsContact C-N 3.33Å; M98-E100 PolarHBondContact O-N 3.15Å; E100-F102 PolarHBondContact O-N 3.47Å; E100-F102 VanDerWaalsContact O-N 3.1Å; E100-H103 PolarHBondContact O-N 3.46Å; E100-H103 VanDerWaalsContact O-N 3.1Å
101T97.4Very high97.6Very high110 Ų11030.5 Ų30.568%0.67516%0.158SC*.Hα-helixtrans-61.7-18.3176.858.40000113.6M99 K105M99-T101 PolarHBondContact O-N 2.96Å; M99-T101 VanDerWaalsContact O-N 3.09Å; T101-K105 WeakPolarHBondContact O-CE 3.28Å
102F98.1Very high97.5Very high8 Ų833.7 Ų33.74%0.03517%0.173CC..Hα-helixtrans-100-16.2176.2-70.4-90.5000114M99 E100 N104 K105 F124 A164 P204 L206 E247M99-F102 HydrophobicContact CB-CD2 4.27Å; M99-F102 HydrophobicContact CE-CD2 3.83Å; M99-F102 HydrophobicContact CE-CE2 3.74Å; M99-F102 PolarHBondContact O-N 3.19Å; E100-F102 PolarHBondContact O-N 3.47Å; E100-F102 VanDerWaalsContact O-N 3.1Å; F102-N104 VanDerWaalsContact C-N 3.27Å; F102-N104 PolarHBondContact O-N 3.38Å; F102-K105 HydrophobicContact CD1-CD 3.7Å; F102-K105 HydrophobicContact CE1-CD 4.15Å; F102-K105 VanDerWaalsContact CE1-NZ 3.27Å; F102-K105 HydrophobicContact CG-CD 4.41Å; F102-K105 WeakPolarHBondContact O-CB 3.33Å; F102-K105 PolarHBondContact O-N 3Å; F102-F124 HydrophobicContact CB-CE1 3.74Å; F102-F124 HydrophobicContact CB-CZ 4.4Å; F102-A164 HydrophobicContact CD1-CB 3.84Å; F102-A164 HydrophobicContact CE1-CB 4Å; F102-P204 HydrophobicContact CE1-CB 3.63Å; F102-P204 HydrophobicContact CE1-CG 3.97Å; F102-P204 HydrophobicContact CZ-CB 4.06Å; F102-P204 HydrophobicContact CZ-CG 4.36Å; F102-L206 HydrophobicContact CD1-CD1 4.26Å; F102-L206 HydrophobicContact CG-CD1 4.22Å; F102-E247 HydrophobicContact CE2-CG 4.32Å; F102-E247 HydrophobicContact CZ-CG 3.79Å
103H98.4Very high97.5Very high23 Ų2336.1 Ų36.111%0.10620%0.198CC..Hα-helixtrans-62.1-30.7-170.2-71.5-179.9000114.1L96 H97 M99 E100 L122 G123 Q125L96-H103 PolarHBondContact O-NE2 2.87Å; L96-H103 VanDerWaalsContact O-NE2 3.07Å; H97-H103 PolarHBondContact O-CE1 3.44Å; H97-H103 VanDerWaalsContact O-CE1 3.3Å; M99-H103 PolarHBondContact O-CD2 2.85Å; M99-H103 VanDerWaalsContact O-CD2 3.26Å; M99-H103 PolarHBondContact O-NE2 3.38Å; E100-H103 PolarHBondContact O-N 3.46Å; E100-H103 VanDerWaalsContact O-N 3.1Å; H103-L122 PolarHBondContact CE1-O 3.3Å; H103-L122 VanDerWaalsContact CE1-O 3.26Å; H103-L122 PolarHBondContact NE2-O 3.43Å; H103-G123 WeakPolarHBondContact CB-O 3.39Å; H103-Q125 PolarHBondContact O-N 2.9Å
104N98.1Very high97.5Very high93 Ų9338.2 Ų38.250%0.49721%0.212SC..THydrogen-bonded Turntrans-89.9-8.2178.2-69.2-35000114.2F102 Q125 K126F102-N104 VanDerWaalsContact C-N 3.27Å; F102-N104 PolarHBondContact O-N 3.38Å; N104-Q125 PolarHBondContact OD1-NE2 3.4Å; N104-Q125 PolarHBondContact OD1-OE1 3Å; N104-K126 PolarHBondContact O-NZ 2.92Å
105K98.2Very high97.5Very high60 Ų6038.9 Ų38.926%0.26122%0.216SC..SBendtrans-76.9149.5178.8-66.7-175.1-174.6174.30110.1T101 F102 V107 Q163T101-K105 WeakPolarHBondContact O-CE 3.28Å; F102-K105 HydrophobicContact CD1-CD 3.7Å; F102-K105 HydrophobicContact CE1-CD 4.15Å; F102-K105 VanDerWaalsContact CE1-NZ 3.27Å; F102-K105 HydrophobicContact CG-CD 4.41Å; F102-K105 WeakPolarHBondContact O-CB 3.33Å; F102-K105 PolarHBondContact O-N 3Å; K105-V107 HydrophobicContact CB-CG1 4.47Å; K105-V107 PolarHBondContact O-N 2.72Å; K105-Q163 HydrophobicContact CB-CB 4.02Å; K105-Q163 HydrophobicContact CD-CB 4.3Å; K105-Q163 HydrophobicContact CG-CB 4.36Å
106C98.4Very high97.5Very high2 Ų241.5 Ų41.51%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-72.6119165.8-179.80000109.5K126 P160 Q161 Q163 A164C106-K126 WeakPolarHBondContact CA-O 3.42Å; C106-K126 HydrophobicContact CB-CB 4.2Å; C106-P160 HydrophobicContact CB-CG 4.32Å; C106-P160 VanDerWaalsContact SG-CG 3.59Å; C106-Q161 WeakPolarHBondContact CB-O 3.36Å; C106-Q163 PolarHBondContact O-N 3.04Å; C106-A164 PolarHBondContact O-N 3.39Å
107V98.8Very high97.6Very high0 Ų046.3 Ų46.30%026%0.255CS..EExtended strand (participates in β ladder)trans-113.3132.8-178-60.70000111.2K105 V109 F124 K126 V127 V128 A164 I166K105-V107 HydrophobicContact CB-CG1 4.47Å; K105-V107 PolarHBondContact O-N 2.72Å; V107-V109 HydrophobicContact CG2-CG1 4.05Å; V107-F124 HydrophobicContact CB-CD1 4.47Å; V107-F124 HydrophobicContact CG1-CD1 3.79Å; V107-F124 HydrophobicContact CG1-CE1 3.98Å; V107-F124 HydrophobicContact CG2-CB 4.28Å; V107-F124 HydrophobicContact CG2-CD1 3.87Å; V107-F124 HydrophobicContact CG2-CG 4.26Å; V107-K126 PolarHBondContact N-O 2.82Å; V107-V127 HydrophobicContact CG2-CG2 4.22Å; V107-V128 PolarHBondContact O-N 3.4Å; V107-A164 VanDerWaalsContact CA-O 3.32Å; V107-A164 WeakPolarHBondContact CA-O 3.42Å; V107-A164 HydrophobicContact CG1-CB 4.18Å; V107-I166 HydrophobicContact CB-CD1 3.96Å; V107-I166 HydrophobicContact CB-CG1 4.15Å; V107-I166 HydrophobicContact CG1-CD1 4.12Å; V107-I166 HydrophobicContact CG1-CG1 4.41Å; V107-I166 HydrophobicContact CG2-CD1 3.84Å
108L98.8Very high97.6Very high0 Ų042 Ų420%024%0.235CC..EExtended strand (participates in β ladder)trans-82.5129164178.769.4000108.2V128 M130 L133 I162 A164 I165 I166 I181 V184L108-V128 WeakPolarHBondContact CA-O 3.45Å; L108-V128 HydrophobicContact CD1-CB 4.44Å; L108-V128 HydrophobicContact CD1-CG1 4.05Å; L108-M130 HydrophobicContact CD1-SD 3.81Å; L108-M130 HydrophobicContact CD2-SD 3.88Å; L108-M130 HydrophobicContact CG-SD 3.89Å; L108-L133 HydrophobicContact CD1-CB 4.29Å; L108-L133 HydrophobicContact CD1-CD2 3.96Å; L108-L133 HydrophobicContact CD2-CD2 4.09Å; L108-I162 HydrophobicContact CB-CD1 4.15Å; L108-I162 HydrophobicContact CB-CG1 4.4Å; L108-I162 HydrophobicContact CB-CG2 3.76Å; L108-I162 HydrophobicContact CD1-CD1 4.44Å; L108-A164 PolarHBondContact N-O 2.85Å; L108-I165 HydrophobicContact CB-CG1 4.46Å; L108-I165 CarbonylContact O-C 3.57Å; L108-I165 WeakPolarHBondContact O-CA 3.35Å; L108-I166 PolarHBondContact O-N 2.75Å; L108-I181 HydrophobicContact CD2-CG1 4.44Å; L108-V184 HydrophobicContact CD2-CB 4.33Å; L108-V184 HydrophobicContact CD2-CG1 4.2Å; L108-V184 HydrophobicContact CD2-CG2 4.06Å
109V98.6Very high97.8Very high1 Ų139.2 Ų39.21%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-112.6133179-60.60000111.1V107 V115 A119 V127 V128 T129 M130 I166 F168V107-V109 HydrophobicContact CG2-CG1 4.05Å; V109-V115 HydrophobicContact CG2-CB 4.08Å; V109-V115 HydrophobicContact CG2-CG2 3.82Å; V109-A119 HydrophobicContact CG1-CB 4.3Å; V109-V127 HydrophobicContact CB-CG1 4.32Å; V109-V127 HydrophobicContact CG1-CG1 3.77Å; V109-V127 HydrophobicContact CG2-CG1 3.52Å; V109-V128 PolarHBondContact N-O 2.79Å; V109-T129 HydrophobicContact CG2-CG2 4.3Å; V109-M130 WeakPolarHBondContact O-CG 3.28Å; V109-I166 WeakPolarHBondContact CA-O 3.35Å; V109-I166 HydrophobicContact CG1-CB 4.25Å; V109-I166 HydrophobicContact CG1-CD1 4.34Å; V109-F168 HydrophobicContact CB-CD2 4.19Å; V109-F168 HydrophobicContact CB-CE2 3.8Å; V109-F168 HydrophobicContact CG1-CE2 3.75Å; V109-F168 HydrophobicContact CG1-CZ 4.37Å
110S98.4Very high97.9Very high1 Ų142.7 Ų42.71%0.00724%0.237CC..EExtended strand (participates in β ladder)trans-128.1139.1174178.40000110.2I166 F168 N177S110-I166 PolarHBondContact N-O 2.91Å; S110-F168 PolarHBondContact O-N 2.69Å; S110-N177 PolarHBondContact OG-OD1 3.15Å
111G97.1Very high97.9Very high18 Ų1840.1 Ų40.119%0.18623%0.231CC..SBendtrans154-164.8-179.500000111.7G169G111-G169 WeakPolarHBondContact CA-O 3.31Å
112Q95.6Very high97.9Very high67 Ų6735.2 Ų35.231%0.31320%0.201SC..SBendtrans-113.4162177.7-76178.665.200111.9S66 E170 I172S66-Q112 VanDerWaalsContact CA-O 3.26Å; S66-Q112 WeakPolarHBondContact CA-O 3.29Å; S66-Q112 WeakPolarHBondContact CB-O 3.39Å; Q112-E170 WeakPolarHBondContact CG-O 3.35Å; Q112-E170 PolarHBondContact NE2-O 2.96Å; Q112-I172 HydrophobicContact CG-CD1 4.42Å; Q112-I172 HydrophobicContact CG-CG1 4.06Å
113G95.8Very high97.9Very high51 Ų5136.1 Ų36.153%0.52621%0.212SC..SBendtrans82.8-162.3179.100000113.1S66 V115S66-G113 WeakPolarHBondContact O-CA 3.45Å; G113-V115 PolarHBondContact O-N 3.2Å
114P97.2Very high97.9Very high51 Ų5135.1 Ų35.133%0.33121%0.208SC..SBendtrans-79.464.4-175.834.8-36.5000111.1L68 T116 Q117 I118L68-P114 HydrophobicContact CD1-CG 4.41Å; L68-P114 HydrophobicContact CD2-CG 4.48Å; L68-P114 HydrophobicContact CG-CG 4.14Å; P114-T116 VanDerWaalsContact C-N 3.29Å; P114-T116 PolarHBondContact O-N 2.99Å; P114-Q117 HydrophobicContact CB-CB 4.04Å; P114-Q117 WeakPolarHBondContact O-CA 3.32Å; P114-Q117 WeakPolarHBondContact O-CB 3.28Å; P114-Q117 PolarHBondContact O-N 3.42Å; P114-I118 HydrophobicContact CG-CD1 4.41Å; P114-I118 HydrophobicContact CG-CG1 4.41Å; P114-I118 WeakPolarHBondContact O-CG1 3.21Å; P114-I118 PolarHBondContact O-N 3.06Å
115V97.3Very high97.9Very high15 Ų1536.4 Ų36.49%0.09121%0.211CC..Hα-helixtrans-55.2-38.5-170.7-66.40000113.6V109 G113 I118 A119 T129 F168V109-V115 HydrophobicContact CG2-CB 4.08Å; V109-V115 HydrophobicContact CG2-CG2 3.82Å; G113-V115 PolarHBondContact O-N 3.2Å; V115-I118 PolarHBondContact O-N 2.99Å; V115-A119 WeakPolarHBondContact O-CB 3.3Å; V115-A119 PolarHBondContact O-N 3.11Å; V115-T129 HydrophobicContact CG2-CG2 4.49Å; V115-F168 HydrophobicContact CB-CD2 4.04Å; V115-F168 HydrophobicContact CB-CE2 4.2Å; V115-F168 HydrophobicContact CG1-CD2 4.02Å
116T98.1Very high97.8Very high54 Ų5438.5 Ų38.533%0.33122%0.22SC..Hα-helixtrans-64.6-44.4175.8-50.50000111.5P114 A119 H120 V127 T129P114-T116 VanDerWaalsContact C-N 3.29Å; P114-T116 PolarHBondContact O-N 2.99Å; T116-A119 PolarHBondContact O-N 3.38Å; T116-H120 PolarHBondContact O-CD2 3.21Å; T116-H120 PolarHBondContact O-N 3.26Å; T116-V127 HydrophobicContact CG2-CB 4.4Å; T116-V127 HydrophobicContact CG2-CG1 4.3Å; T116-T129 WeakPolarHBondContact OG1-CG2 3.36Å
117Q98.4Very high97.8Very high102 Ų10239.5 Ų39.548%0.47723%0.226SC..Hα-helixtrans-66.8-40177.1-167.3179.6400111.3L68 P114 H120 T121L68-Q117 VanDerWaalsContact CD1-CD 3.49Å; L68-Q117 HydrophobicContact CD1-CG 4.28Å; L68-Q117 HydrophobicContact CD2-CB 4.46Å; L68-Q117 HydrophobicContact CD2-CG 4.09Å; P114-Q117 HydrophobicContact CB-CB 4.04Å; P114-Q117 WeakPolarHBondContact O-CA 3.32Å; P114-Q117 WeakPolarHBondContact O-CB 3.28Å; P114-Q117 PolarHBondContact O-N 3.42Å; Q117-H120 PolarHBondContact O-N 2.94Å; Q117-T121 VanDerWaalsContact O-CG2 3.31Å; Q117-T121 WeakPolarHBondContact O-CG2 3.4Å; Q117-T121 PolarHBondContact O-N 3.1Å; Q117-T121 PolarHBondContact O-OG1 3.4Å
118I98.3Very high97.8Very high0 Ų039.7 Ų39.70%023%0.227CC..Hα-helixtrans-57.5-53.2174-68.8166.9000109.3L68 P114 V115 H120 T121 L122 F168L68-I118 HydrophobicContact CD2-CG1 3.81Å; P114-I118 HydrophobicContact CG-CD1 4.41Å; P114-I118 HydrophobicContact CG-CG1 4.41Å; P114-I118 WeakPolarHBondContact O-CG1 3.21Å; P114-I118 PolarHBondContact O-N 3.06Å; V115-I118 PolarHBondContact O-N 2.99Å; I118-H120 PolarHBondContact O-N 3.01Å; I118-T121 PolarHBondContact O-N 3.32Å; I118-T121 PolarHBondContact O-OG1 2.95Å; I118-L122 HydrophobicContact CG2-CD1 3.8Å; I118-L122 WeakPolarHBondContact O-CD1 3.46Å; I118-L122 VanDerWaalsContact O-CG 3.31Å; I118-L122 WeakPolarHBondContact O-CG 3.31Å; I118-L122 PolarHBondContact O-N 3.32Å; I118-L122 VanDerWaalsContact O-N 3.14Å; I118-F168 HydrophobicContact CB-CZ 4.46Å; I118-F168 HydrophobicContact CG2-CD1 4.21Å; I118-F168 HydrophobicContact CG2-CE1 3.73Å; I118-F168 HydrophobicContact CG2-CE2 4.34Å; I118-F168 HydrophobicContact CG2-CZ 3.81Å
119A98.4Very high97.8Very high0 Ų040.2 Ų40.20%023%0.23CC..Hα-helixtrans-56.6-46.2178.800000112.5V109 V115 T116 T121 L122 G123 F124 V127 F168V109-A119 HydrophobicContact CG1-CB 4.3Å; V115-A119 WeakPolarHBondContact O-CB 3.3Å; V115-A119 PolarHBondContact O-N 3.11Å; T116-A119 PolarHBondContact O-N 3.38Å; A119-T121 PolarHBondContact O-N 3.22Å; A119-L122 PolarHBondContact O-N 3.06Å; A119-G123 PolarHBondContact O-N 3.36Å; A119-F124 HydrophobicContact CB-CB 4.15Å; A119-F124 HydrophobicContact CB-CD2 4.4Å; A119-F124 WeakPolarHBondContact O-CB 3.46Å; A119-F124 WeakPolarHBondContact O-CD2 3.47Å; A119-F124 PolarHBondContact O-N 3.29Å; A119-V127 HydrophobicContact CB-CG1 4.31Å; A119-V127 HydrophobicContact CB-CG2 3.59Å; A119-F168 HydrophobicContact CB-CE2 4.29Å; A119-F168 HydrophobicContact CB-CZ 3.98Å
120H98.4Very high97.7Very high97 Ų9740.5 Ų40.545%0.44923%0.232SC..Hα-helixtrans-63.8-41178.1-71.6-45000113.4T116 Q117 I118 L122 G123 F124T116-H120 PolarHBondContact O-CD2 3.21Å; T116-H120 PolarHBondContact O-N 3.26Å; Q117-H120 PolarHBondContact O-N 2.94Å; I118-H120 PolarHBondContact O-N 3.01Å; H120-L122 PolarHBondContact O-N 3.44Å; H120-G123 PolarHBondContact O-N 2.96Å; H120-G123 VanDerWaalsContact O-N 3.1Å; H120-F124 PolarHBondContact ND1-O 3.03Å
121T97.4Very high97.4Very high90 Ų9045.9 Ų45.955%0.55226%0.257SS*.Hα-helixtrans-65.5-22.7176.657.40000113.2Q117 I118 A119Q117-T121 VanDerWaalsContact O-CG2 3.31Å; Q117-T121 WeakPolarHBondContact O-CG2 3.4Å; Q117-T121 PolarHBondContact O-N 3.1Å; Q117-T121 PolarHBondContact O-OG1 3.4Å; I118-T121 PolarHBondContact O-N 3.32Å; I118-T121 PolarHBondContact O-OG1 2.95Å; A119-T121 PolarHBondContact O-N 3.22Å
122L97.6Very high97.3Very high7 Ų747.2 Ų47.24%0.03726%0.258CS..Hα-helixtrans-85-14.3175.4-65.2164.3000113.3H93 L96 H97 H103 I118 A119 H120 F124 F168H93-L122 HydrophobicContact CB-CD1 4.28Å; L96-L122 HydrophobicContact CB-CD1 4.11Å; L96-L122 HydrophobicContact CD1-CD1 3.98Å; H97-L122 HydrophobicContact CB-CD2 4.21Å; H97-L122 PolarHBondContact ND1-O 3.37Å; H103-L122 PolarHBondContact CE1-O 3.3Å; H103-L122 VanDerWaalsContact CE1-O 3.26Å; H103-L122 PolarHBondContact NE2-O 3.43Å; I118-L122 HydrophobicContact CG2-CD1 3.8Å; I118-L122 WeakPolarHBondContact O-CD1 3.46Å; I118-L122 VanDerWaalsContact O-CG 3.31Å; I118-L122 WeakPolarHBondContact O-CG 3.31Å; I118-L122 PolarHBondContact O-N 3.32Å; I118-L122 VanDerWaalsContact O-N 3.14Å; A119-L122 PolarHBondContact O-N 3.06Å; H120-L122 PolarHBondContact O-N 3.44Å; L122-F124 HydrophobicContact CB-CD2 4.03Å; L122-F124 HydrophobicContact CB-CE2 4.1Å; L122-F168 HydrophobicContact CD1-CE1 3.9Å; L122-F168 HydrophobicContact CD1-CZ 4.34Å
123G98.1Very high97.3Very high27 Ų2744 Ų4428%0.27824%0.243SC..THydrogen-bonded Turntrans115.4-6178.300000115H103 A119 H120 Q125H103-G123 WeakPolarHBondContact CB-O 3.39Å; A119-G123 PolarHBondContact O-N 3.36Å; H120-G123 PolarHBondContact O-N 2.96Å; H120-G123 VanDerWaalsContact O-N 3.1Å; G123-Q125 PolarHBondContact O-N 3.39Å
124F98.6Very high97.1Very high1 Ų142.6 Ų42.60%0.00423%0.225CC..  trans-70.3127.7179-63.9-89.7000111.3L96 F102 V107 A119 H120 L122 V127 I166L96-F124 HydrophobicContact CB-CE2 3.93Å; L96-F124 HydrophobicContact CB-CZ 4.27Å; L96-F124 HydrophobicContact CD1-CE2 4.26Å; L96-F124 HydrophobicContact CD2-CZ 4.31Å; F102-F124 HydrophobicContact CB-CE1 3.74Å; F102-F124 HydrophobicContact CB-CZ 4.4Å; V107-F124 HydrophobicContact CB-CD1 4.47Å; V107-F124 HydrophobicContact CG1-CD1 3.79Å; V107-F124 HydrophobicContact CG1-CE1 3.98Å; V107-F124 HydrophobicContact CG2-CB 4.28Å; V107-F124 HydrophobicContact CG2-CD1 3.87Å; V107-F124 HydrophobicContact CG2-CG 4.26Å; A119-F124 HydrophobicContact CB-CB 4.15Å; A119-F124 HydrophobicContact CB-CD2 4.4Å; A119-F124 WeakPolarHBondContact O-CB 3.46Å; A119-F124 WeakPolarHBondContact O-CD2 3.47Å; A119-F124 PolarHBondContact O-N 3.29Å; H120-F124 PolarHBondContact ND1-O 3.03Å; L122-F124 HydrophobicContact CB-CD2 4.03Å; L122-F124 HydrophobicContact CB-CE2 4.1Å; F124-V127 HydrophobicContact CB-CG2 4.19Å; F124-I166 HydrophobicContact CD1-CD1 3.89Å; F124-I166 HydrophobicContact CD2-CD1 4.16Å; F124-I166 HydrophobicContact CE1-CD1 3.47Å; F124-I166 VanDerWaalsContact CE1-CD1 3.47Å; F124-I166 HydrophobicContact CE2-CD1 3.8Å; F124-I166 HydrophobicContact CG-CD1 4.21Å; F124-I166 HydrophobicContact CZ-CD1 3.44Å; F124-I166 VanDerWaalsContact CZ-CD1 3.44Å
125Q97.6Very high96.7Very high121 Ų12146.4 Ų46.457%0.56524%0.238SC*.  trans-95.7-32.3-174.4-62.217714.500113H103 N104 G123H103-Q125 PolarHBondContact O-N 2.9Å; N104-Q125 PolarHBondContact OD1-NE2 3.4Å; N104-Q125 PolarHBondContact OD1-OE1 3Å; G123-Q125 PolarHBondContact O-N 3.39Å
126K98.1Very high96.3Very high104 Ų10447.5 Ų47.545%0.45224%0.242SC..EExtended strand (participates in β ladder)trans-120.198.3-173.5-63.3172.2-166.8156.20109.4N104 C106 V107N104-K126 PolarHBondContact O-NZ 2.92Å; C106-K126 WeakPolarHBondContact CA-O 3.42Å; C106-K126 HydrophobicContact CB-CB 4.2Å; V107-K126 PolarHBondContact N-O 2.82Å
127V98.3Very high95.9Very high22 Ų2247.5 Ų47.513%0.13324%0.239CC..EExtended strand (participates in β ladder)trans-113.2132.4-175.7-1780000108.7V107 V109 T116 A119 F124V107-V127 HydrophobicContact CG2-CG2 4.22Å; V109-V127 HydrophobicContact CB-CG1 4.32Å; V109-V127 HydrophobicContact CG1-CG1 3.77Å; V109-V127 HydrophobicContact CG2-CG1 3.52Å; T116-V127 HydrophobicContact CG2-CB 4.4Å; T116-V127 HydrophobicContact CG2-CG1 4.3Å; A119-V127 HydrophobicContact CB-CG1 4.31Å; A119-V127 HydrophobicContact CB-CG2 3.59Å; F124-V127 HydrophobicContact CB-CG2 4.19Å
128V98.3Very high95.4Very high4 Ų443.6 Ų43.62%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-115128.2167.9175.10000106.9V107 L108 V109 E132 L133 L159V107-V128 PolarHBondContact O-N 3.4Å; L108-V128 WeakPolarHBondContact CA-O 3.45Å; L108-V128 HydrophobicContact CD1-CB 4.44Å; L108-V128 HydrophobicContact CD1-CG1 4.05Å; V109-V128 PolarHBondContact N-O 2.79Å; V128-E132 WeakPolarHBondContact CA-OE2 3.32Å; V128-E132 HydrophobicContact CG1-CB 4.42Å; V128-L133 HydrophobicContact CG1-CB 4.27Å; V128-L159 HydrophobicContact CG1-CD1 4.09Å; V128-L159 HydrophobicContact CG1-CD2 4.37Å; V128-L159 HydrophobicContact CG2-CD2 4.37Å
129T97.7Very high95Very high12 Ų1249.8 Ų49.87%0.07426%0.255CS..EExtended strand (participates in β ladder)trans-89.9165.1175.283.10000111.9V109 V115 T116 E131 E132 L133V109-T129 HydrophobicContact CG2-CG2 4.3Å; V115-T129 HydrophobicContact CG2-CG2 4.49Å; T116-T129 WeakPolarHBondContact OG1-CG2 3.36Å; T129-E131 WeakPolarHBondContact CB-OE2 3.46Å; T129-E131 PolarHBondContact O-N 2.95Å; T129-E131 PolarHBondContact OG1-N 2.98Å; T129-E131 PolarHBondContact OG1-OE2 3.09Å; T129-E132 PolarHBondContact N-OE2 3.01Å; T129-E132 VanDerWaalsContact N-OE2 3.11Å; T129-E132 PolarHBondContact O-N 3.12Å; T129-E132 PolarHBondContact OG1-N 3Å; T129-E132 VanDerWaalsContact OG1-N 3.14Å; T129-L133 WeakPolarHBondContact O-CB 3.11Å; T129-L133 PolarHBondContact O-N 2.76Å
130M96.8Very high94.6Very high7 Ų751.8 Ų51.83%0.03427%0.265CS..Hα-helixtrans-62.1-36.2174.4-61.5-60.4-54.200111.7L108 V109 L133 S134 N177 L180 I181L108-M130 HydrophobicContact CD1-SD 3.81Å; L108-M130 HydrophobicContact CD2-SD 3.88Å; L108-M130 HydrophobicContact CG-SD 3.89Å; V109-M130 WeakPolarHBondContact O-CG 3.28Å; M130-L133 PolarHBondContact O-N 3.34Å; M130-S134 WeakPolarHBondContact O-CB 3.45Å; M130-S134 PolarHBondContact O-N 3.25Å; M130-N177 HydrophobicContact CE-CB 4.32Å; M130-N177 WeakPolarHBondContact CG-OD1 3.34Å; M130-L180 HydrophobicContact CE-CB 3.55Å; M130-L180 HydrophobicContact CE-CD1 3.89Å; M130-L180 HydrophobicContact CE-CG 4.32Å; M130-I181 HydrophobicContact CE-CG1 4.25Å; M130-I181 HydrophobicContact SD-CG1 4.33Å
131E93.6Very high94.2Very high114 Ų11447.3 Ų47.353%0.53325%0.245SC..Hα-helixtrans-65.2-50.6175.9-58.973.1-158.800110.6T129 L133 S134 E135T129-E131 WeakPolarHBondContact CB-OE2 3.46Å; T129-E131 PolarHBondContact O-N 2.95Å; T129-E131 PolarHBondContact OG1-N 2.98Å; T129-E131 PolarHBondContact OG1-OE2 3.09Å; E131-L133 VanDerWaalsContact C-N 3.28Å; E131-L133 PolarHBondContact O-N 3.28Å; E131-S134 PolarHBondContact O-N 3.11Å; E131-E135 WeakPolarHBondContact O-CG 3.46Å; E131-E135 PolarHBondContact O-N 2.96Å
132E94.4Very high93.7Very high45 Ų4545.6 Ų45.621%0.2123%0.231CC..Hα-helixtrans-58.4-42.3176.3-71.9-176.9127.200111.2V128 T129 E135 Q136 R157V128-E132 WeakPolarHBondContact CA-OE2 3.32Å; V128-E132 HydrophobicContact CG1-CB 4.42Å; T129-E132 PolarHBondContact N-OE2 3.01Å; T129-E132 VanDerWaalsContact N-OE2 3.11Å; T129-E132 PolarHBondContact O-N 3.12Å; T129-E132 PolarHBondContact OG1-N 3Å; T129-E132 VanDerWaalsContact OG1-N 3.14Å; E132-E135 PolarHBondContact O-N 3.16Å; E132-Q136 WeakPolarHBondContact O-CB 3.47Å; E132-Q136 WeakPolarHBondContact O-CG 3.34Å; E132-Q136 PolarHBondContact O-N 3.5Å; E132-Q136 VanDerWaalsContact O-N 3.11Å; E132-R157 IonicContact OE1-CZ 3.81Å; E132-R157 IonicContact OE1-NH1 3.05Å; E132-R157 PolarHBondContact OE1-NH1 3.4Å; E132-R157 IonicContact OE1-NH2 3.73Å
133L94.4Very high93.3Very high0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-63.8-44.3178178.763.1000112L108 V128 T129 M130 E131 Q136 H137 L159 I162 L180 V184 P191L108-L133 HydrophobicContact CD1-CB 4.29Å; L108-L133 HydrophobicContact CD1-CD2 3.96Å; L108-L133 HydrophobicContact CD2-CD2 4.09Å; V128-L133 HydrophobicContact CG1-CB 4.27Å; T129-L133 WeakPolarHBondContact O-CB 3.11Å; T129-L133 PolarHBondContact O-N 2.76Å; M130-L133 PolarHBondContact O-N 3.34Å; E131-L133 VanDerWaalsContact C-N 3.28Å; E131-L133 PolarHBondContact O-N 3.28Å; L133-Q136 PolarHBondContact O-N 3.19Å; L133-H137 PolarHBondContact O-N 3.19Å; L133-L159 HydrophobicContact CD1-CD1 3.94Å; L133-I162 HydrophobicContact CD1-CD1 4.45Å; L133-L180 HydrophobicContact CD2-CB 3.98Å; L133-L180 HydrophobicContact CD2-CD1 4.41Å; L133-V184 HydrophobicContact CD2-CG2 3.65Å; L133-P191 HydrophobicContact CD1-CG 3.46Å; L133-P191 VanDerWaalsContact CD1-CG 3.46Å
134S92.2Very high92.7Very high21 Ų2150 Ų5015%0.14725%0.251CS..Hα-helixtrans-64.2-38.3177.3-173.70000112.3M130 E131 Q136 H137 P138M130-S134 WeakPolarHBondContact O-CB 3.45Å; M130-S134 PolarHBondContact O-N 3.25Å; E131-S134 PolarHBondContact O-N 3.11Å; S134-Q136 VanDerWaalsContact C-N 3.33Å; S134-H137 CarbonylContact O-C 3.36Å; S134-P138 WeakPolarHBondContact O-CA 3.38Å; S134-P138 WeakPolarHBondContact O-CB 3.36Å
135E89.3Confident92.1Very high131 Ų13156.4 Ų56.461%0.61228%0.281SS*.Hα-helixtrans-67.4-35.6178.1-74.7174.5178.200111.9E131 E132E131-E135 WeakPolarHBondContact O-CG 3.46Å; E131-E135 PolarHBondContact O-N 2.96Å; E132-E135 PolarHBondContact O-N 3.16Å
136Q89.3Confident91.6Very high38 Ų3855.5 Ų55.518%0.17829%0.288CS..Hα-helixtrans-79.4-30.1-179.7-64.7-63.5-23.800112.9E132 L133 S134 S155 R157 L159E132-Q136 WeakPolarHBondContact O-CB 3.47Å; E132-Q136 WeakPolarHBondContact O-CG 3.34Å; E132-Q136 PolarHBondContact O-N 3.5Å; E132-Q136 VanDerWaalsContact O-N 3.11Å; L133-Q136 PolarHBondContact O-N 3.19Å; S134-Q136 VanDerWaalsContact C-N 3.33Å; Q136-S155 PolarHBondContact NE2-OG 3.04Å; Q136-S155 VanDerWaalsContact OE1-CB 3.25Å; Q136-S155 PolarHBondContact OE1-OG 3.25Å; Q136-R157 PolarHBondContact OE1-O 3.41Å; Q136-L159 HydrophobicContact CB-CD1 3.74Å; Q136-L159 HydrophobicContact CB-CG 4.09Å; Q136-L159 HydrophobicContact CG-CD1 3.72Å; Q136-L159 HydrophobicContact CG-CD2 4.1Å; Q136-L159 HydrophobicContact CG-CG 3.72Å
137H89.4Confident90.6Very high54 Ų5454.5 Ų54.525%0.2528%0.281CS..SBendtrans-127.565.2179.3-61.3-81.6000111.2L133 S134 L139 L140L133-H137 PolarHBondContact O-N 3.19Å; S134-H137 CarbonylContact O-C 3.36Å; H137-L139 PolarHBondContact O-N 3.17Å; H137-L139 VanDerWaalsContact O-N 3.13Å; H137-L140 HydrophobicContact CB-CB 4.4Å; H137-L140 HydrophobicContact CB-CD1 3.42Å; H137-L140 VanDerWaalsContact CB-CD1 3.42Å; H137-L140 HydrophobicContact CB-CG 3.78Å; H137-L140 WeakPolarHBondContact O-CB 3.49Å; H137-L140 PolarHBondContact O-N 3.12Å
138P87.9Confident89.9Confident21 Ų2158.1 Ų58.114%0.13629%0.292CS..THydrogen-bonded Turntrans-76.4-10.8-165.736.9-42.6000113.5S134 P149 P153S134-P138 WeakPolarHBondContact O-CA 3.38Å; S134-P138 WeakPolarHBondContact O-CB 3.36Å; P138-P149 HydrophobicContact CB-CG 3.46Å; P138-P149 VanDerWaalsContact CB-CG 3.46Å; P138-P149 HydrophobicContact CG-CG 3.83Å; P138-P153 HydrophobicContact CG-CB 3.84Å; P138-P153 HydrophobicContact CG-CG 3.58Å
139L89.8Confident88.8Confident129 Ų12960.2 Ų60.268%0.67531%0.306SS*.THydrogen-bonded Turntrans-77-7.6169-63.7-177.7000113.5H137 M142H137-L139 PolarHBondContact O-N 3.17Å; H137-L139 VanDerWaalsContact O-N 3.13Å; L139-M142 HydrophobicContact CD2-CE 4.31Å; L139-M142 HydrophobicContact CD2-SD 4.28Å; L139-M142 WeakPolarHBondContact O-CG 3.38Å
140L90.8Very high87.5Confident43 Ų4366.8 Ų66.823%0.22535%0.346CS..THydrogen-bonded Turntrans-87.7-26.2175.4-58.6-178.6000112.5H137 Q179 L180 D183 P191H137-L140 HydrophobicContact CB-CB 4.4Å; H137-L140 HydrophobicContact CB-CD1 3.42Å; H137-L140 VanDerWaalsContact CB-CD1 3.42Å; H137-L140 HydrophobicContact CB-CG 3.78Å; H137-L140 WeakPolarHBondContact O-CB 3.49Å; H137-L140 PolarHBondContact O-N 3.12Å; L140-Q179 VanDerWaalsContact O-CG 3.29Å; L140-Q179 WeakPolarHBondContact O-CG 3.18Å; L140-L180 HydrophobicContact CB-CD2 3.53Å; L140-L180 HydrophobicContact CD1-CD2 4.28Å; L140-D183 HydrophobicContact CD1-CB 4.46Å; L140-P191 HydrophobicContact CD1-CB 3.68Å; L140-P191 WeakPolarHBondContact CD1-O 3.3Å
141D88.8Confident86Confident3 Ų370.7 Ų70.72%0.01637%0.374CS..  trans-101.874.1175.6-177.719.9000111.4R147 R173 T176D141-R147 IonicContact OD1-NH2 2.87Å; D141-R147 IonicContact OD2-CZ 3.5Å; D141-R147 IonicContact OD2-NH1 2.73Å; D141-R147 PolarHBondContact OD2-NH1 3.42Å; D141-R147 IonicContact OD2-NH2 3.35Å; D141-R147 PolarHBondContact OD2-NH2 3.41Å; D141-R173 IonicContact OD2-NH2 2.59Å; D141-R173 PolarHBondContact OD2-NH2 3.03Å; D141-T176 WeakPolarHBondContact OD1-CB 3.45Å; D141-T176 PolarHBondContact OD1-OG1 3.35Å; D141-T176 WeakPolarHBondContact OD2-CB 3.21Å; D141-T176 PolarHBondContact OD2-OG1 2.89Å; D141-T176 VanDerWaalsContact OD2-OG1 3.09Å
142M88.2Confident84.4Confident53 Ų5371.5 Ų71.526%0.26139%0.387SS..  trans-108.52.6-174.5-62.8-65-7800114.1L139 R148L139-M142 HydrophobicContact CD2-CE 4.31Å; L139-M142 HydrophobicContact CD2-SD 4.28Å; L139-M142 WeakPolarHBondContact O-CG 3.38Å; M142-R148 HydrophobicContact CE-CB 3.97Å; M142-R148 HydrophobicContact CE-CG 3.62Å; M142-R148 VanDerWaalsContact O-CZ 3.23Å; M142-R148 PolarHBondContact O-NE 3.32Å; M142-R148 PolarHBondContact O-NH2 3.43Å; M142-R148 HydrophobicContact SD-CB 4.18Å; M142-R148 HydrophobicContact SD-CG 3.77Å
143V87.6Confident82.9Confident79 Ų7972.8 Ų72.848%0.47940%0.399SS..SBendtrans-66.1-43.4-178.2179.40000110.8H145 E175V143-H145 PolarHBondContact O-N 3.13Å; V143-E175 HydrophobicContact CB-CB 4.27Å; V143-E175 HydrophobicContact CB-CG 3.93Å; V143-E175 HydrophobicContact CG1-CB 3.91Å; V143-E175 HydrophobicContact CG1-CG 3.74Å; V143-E175 HydrophobicContact CG2-CB 4.47Å
144D86.7Confident81Confident49 Ų4978.7 Ų78.726%0.26244%0.44SS..SBendtrans-82.9103174.3-172-18.3000110.5S146 R147 R148D144-S146 PolarHBondContact O-N 3.03Å; D144-S146 WeakPolarHBondContact OD1-CB 3.21Å; D144-S146 PolarHBondContact OD1-N 3.35Å; D144-S146 PolarHBondContact OD1-OG 2.93Å; D144-S146 PolarHBondContact OD2-OG 2.97Å; D144-R147 HydrophobicContact CB-CB 4.39Å; D144-R147 PolarHBondContact O-N 3.43Å; D144-R147 VanDerWaalsContact O-N 3.12Å; D144-R147 WeakPolarHBondContact OD2-CD 3.12Å; D144-R147 IonicContact OD2-CZ 2.71Å; D144-R147 IonicContact OD2-NE 3.55Å; D144-R147 PolarHBondContact OD2-NE 3.08Å; D144-R147 IonicContact OD2-NH2 2.8Å; D144-R148 PolarHBondContact O-N 3.42Å
145H86.1Confident79.4Confident135 Ų13580.3 Ų80.363%0.62545%0.452SS*.G310 helixtrans-57.8-28.5179.1-70.1-91.8000113.8V143 R147 R148V143-H145 PolarHBondContact O-N 3.13Å; H145-R147 VanDerWaalsContact C-N 3.29Å; H145-R147 PolarHBondContact O-N 3.2Å; H145-R148 PolarHBondContact CE1-NH2 2.75Å; H145-R148 PolarHBondContact ND1-NE 2.86Å; H145-R148 PolarHBondContact ND1-NH1 3.32Å; H145-R148 PolarHBondContact ND1-NH2 2.86Å
146S85.6Confident78.1Confident102 Ų10279.7 Ų79.771%0.71346%0.462SS*.G310 helixtrans-74.7-20.1-178.773.70000113.2D144D144-S146 PolarHBondContact O-N 3.03Å; D144-S146 WeakPolarHBondContact OD1-CB 3.21Å; D144-S146 PolarHBondContact OD1-N 3.35Å; D144-S146 PolarHBondContact OD1-OG 2.93Å; D144-S146 PolarHBondContact OD2-OG 2.97Å
147R78.2Confident77.2Confident82 Ų8285 Ų8531%0.30948%0.481SS..G310 helixtrans-107.55.6-177.4-62.7-174.3-63.996.44.5113.5D141 D144 H145 R173 E175 T176D141-R147 IonicContact OD1-NH2 2.87Å; D141-R147 IonicContact OD2-CZ 3.5Å; D141-R147 IonicContact OD2-NH1 2.73Å; D141-R147 PolarHBondContact OD2-NH1 3.42Å; D141-R147 IonicContact OD2-NH2 3.35Å; D141-R147 PolarHBondContact OD2-NH2 3.41Å; D144-R147 HydrophobicContact CB-CB 4.39Å; D144-R147 PolarHBondContact O-N 3.43Å; D144-R147 VanDerWaalsContact O-N 3.12Å; D144-R147 WeakPolarHBondContact OD2-CD 3.12Å; D144-R147 IonicContact OD2-CZ 2.71Å; D144-R147 IonicContact OD2-NE 3.55Å; D144-R147 PolarHBondContact OD2-NE 3.08Å; D144-R147 IonicContact OD2-NH2 2.8Å; H145-R147 VanDerWaalsContact C-N 3.29Å; H145-R147 PolarHBondContact O-N 3.2Å; R147-R173 VanDerWaalsContact NH2-NE 3.13Å; R147-E175 IonicContact NH2-OE1 3.52Å; R147-T176 PolarHBondContact NH2-OG1 2.84Å
148R83Confident76.9Confident99 Ų9990 Ų9037%0.37451%0.507SS..SBendtrans-62.5138.5177.2-69.7-177.7175-165.1-0.9110.1M142 D144 H145 T150M142-R148 HydrophobicContact CE-CB 3.97Å; M142-R148 HydrophobicContact CE-CG 3.62Å; M142-R148 VanDerWaalsContact O-CZ 3.23Å; M142-R148 PolarHBondContact O-NE 3.32Å; M142-R148 PolarHBondContact O-NH2 3.43Å; M142-R148 HydrophobicContact SD-CB 4.18Å; M142-R148 HydrophobicContact SD-CG 3.77Å; D144-R148 PolarHBondContact O-N 3.42Å; H145-R148 PolarHBondContact CE1-NH2 2.75Å; H145-R148 PolarHBondContact ND1-NE 2.86Å; H145-R148 PolarHBondContact ND1-NH1 3.32Å; H145-R148 PolarHBondContact ND1-NH2 2.86Å; R148-T150 PolarHBondContact O-N 2.95Å
149P75.4Confident76.9Confident48 Ų4890.3 Ų90.331%0.31251%0.508SS..  trans-60.7130176.2-22.735.1000110.5P138P138-P149 HydrophobicContact CB-CG 3.46Å; P138-P149 VanDerWaalsContact CB-CG 3.46Å; P138-P149 HydrophobicContact CG-CG 3.83Å
150T70.2Confident77Confident149 Ų14987.6 Ų87.691%0.91450%0.498SS*.SBendtrans-88.3-10.3171.950.30000112.3R148R148-T150 PolarHBondContact O-N 2.95Å
151S65Low77.3Confident89 Ų8989.1 Ų89.162%0.62250%0.504SS*.SBendtrans-141.9159.7178.759.20000111.6
152T61.3Low77.7Confident132 Ų13289 Ų8981%0.8150%0.504SS*.  trans-62127.5174.128.20000110.4S154T152-S154 PolarHBondContact O-N 3.3Å
153P61Low78.2Confident71 Ų7190.8 Ų90.846%0.46151%0.511SS..  trans-63134.2-178.825-33.2000111P138P138-P153 HydrophobicContact CG-CB 3.84Å; P138-P153 HydrophobicContact CG-CG 3.58Å
154S54.6Low78.7Confident124 Ų12487 Ų8787%0.86749%0.488SS*.  trans-94.811.2-178.956.40000113.4T152 S156T152-S154 PolarHBondContact O-N 3.3Å; S154-S156 PolarHBondContact O-N 2.92Å
155S59Low79.3Confident55 Ų5584.7 Ų84.739%0.38548%0.476SS..  trans-70.2117.2-176.8176.30000111.1Q136 R157Q136-S155 PolarHBondContact NE2-OG 3.04Å; Q136-S155 VanDerWaalsContact OE1-CB 3.25Å; Q136-S155 PolarHBondContact OE1-OG 3.25Å; S155-R157 VanDerWaalsContact C-N 3.28Å; S155-R157 PolarHBondContact OG-N 2.99Å
156S62.1Low79.9Confident119 Ų11978.3 Ų78.383%0.83245%0.446SS*.  trans-81.4-4.8169.857.10000113.3S154 I158S154-S156 PolarHBondContact O-N 2.92Å; S156-I158 PolarHBondContact O-N 2.91Å
157R71.6Confident80.5Confident150 Ų15073.4 Ų73.457%0.56641%0.412SS*.  trans-85.598.2-172-171178.8-177.3-154.6-5.3110.9E132 Q136 S155 L159E132-R157 IonicContact OE1-CZ 3.81Å; E132-R157 IonicContact OE1-NH1 3.05Å; E132-R157 PolarHBondContact OE1-NH1 3.4Å; E132-R157 IonicContact OE1-NH2 3.73Å; Q136-R157 PolarHBondContact OE1-O 3.41Å; S155-R157 VanDerWaalsContact C-N 3.28Å; S155-R157 PolarHBondContact OG-N 2.99Å; R157-L159 PolarHBondContact O-N 3.42Å
158I81.9Confident81.5Confident158 Ų15869.5 Ų69.581%0.8140%0.397SS*.PPolyproline II helixtrans-69.4120.4174.1-58.6171.4000109.1S156S156-I158 PolarHBondContact O-N 2.91Å
159L87.5Confident82Confident27 Ų2765.1 Ų65.114%0.14138%0.383CS..PPolyproline II helixtrans-69.9138.4171.4-67.4177.1000110.2V128 L133 Q136 R157V128-L159 HydrophobicContact CG1-CD1 4.09Å; V128-L159 HydrophobicContact CG1-CD2 4.37Å; V128-L159 HydrophobicContact CG2-CD2 4.37Å; L133-L159 HydrophobicContact CD1-CD1 3.94Å; Q136-L159 HydrophobicContact CB-CD1 3.74Å; Q136-L159 HydrophobicContact CB-CG 4.09Å; Q136-L159 HydrophobicContact CG-CD1 3.72Å; Q136-L159 HydrophobicContact CG-CD2 4.1Å; Q136-L159 HydrophobicContact CG-CG 3.72Å; R157-L159 PolarHBondContact O-N 3.42Å
160P92.8Very high82.9Confident73 Ų7365.2 Ų65.247%0.47438%0.379SS..PPolyproline II helixtrans-61.6156.2169.428.6-34.9000110.3C106 I162C106-P160 HydrophobicContact CB-CG 4.32Å; C106-P160 VanDerWaalsContact SG-CG 3.59Å; P160-I162 PolarHBondContact O-N 3.48Å
161Q96.1Very high84.1Confident74 Ų7458.3 Ų58.335%0.34634%0.337SS..PPolyproline II helixtrans-59.6125.7172177.6173.7-1.600109.6C106 N188 R190C106-Q161 WeakPolarHBondContact CB-O 3.36Å; Q161-N188 PolarHBondContact NE2-O 3.49Å; Q161-R190 HydrophobicContact CB-CG 4.42Å; Q161-R190 HydrophobicContact CG-CG 4Å; Q161-R190 VanDerWaalsContact OE1-NE 3.09Å
162I98.3Very high85.5Confident2 Ų259.8 Ų59.81%0.0134%0.336CS..PPolyproline II helixtrans-70.3137.2174.2-63.6156.3000108.3L108 L133 P160 A164 V184 G189 M203L108-I162 HydrophobicContact CB-CD1 4.15Å; L108-I162 HydrophobicContact CB-CG1 4.4Å; L108-I162 HydrophobicContact CB-CG2 3.76Å; L108-I162 HydrophobicContact CD1-CD1 4.44Å; L133-I162 HydrophobicContact CD1-CD1 4.45Å; P160-I162 PolarHBondContact O-N 3.48Å; I162-A164 WeakPolarHBondContact CG2-O 3.41Å; I162-V184 HydrophobicContact CB-CG1 4.28Å; I162-V184 HydrophobicContact CD1-CG1 4.06Å; I162-V184 HydrophobicContact CD1-CG2 3.76Å; I162-V184 HydrophobicContact CG2-CG1 3.98Å; I162-G189 PolarHBondContact N-O 3.26Å; I162-G189 VanDerWaalsContact N-O 3.1Å; I162-G189 WeakPolarHBondContact O-CA 3.14Å; I162-M203 HydrophobicContact CG2-CE 4.1Å; I162-M203 HydrophobicContact CG2-SD 4.08Å; I162-M203 VanDerWaalsContact O-SD 3.35Å
163Q98.4Very high87Confident90 Ų9058 Ų5842%0.42132%0.315SS..  trans-121.6-12.3-173.7-61.3178-81.700113.4K105 C106 M203K105-Q163 HydrophobicContact CB-CB 4.02Å; K105-Q163 HydrophobicContact CD-CB 4.3Å; K105-Q163 HydrophobicContact CG-CB 4.36Å; C106-Q163 PolarHBondContact O-N 3.04Å; Q163-M203 WeakPolarHBondContact O-CG 3.4Å
164A98.6Very high88.7Confident0 Ų058 Ų580%031%0.305CS..EExtended strand (participates in β ladder)trans-158.8161.1168.800000110.3F102 C106 V107 L108 I162 P204F102-A164 HydrophobicContact CD1-CB 3.84Å; F102-A164 HydrophobicContact CE1-CB 4Å; C106-A164 PolarHBondContact O-N 3.39Å; V107-A164 VanDerWaalsContact CA-O 3.32Å; V107-A164 WeakPolarHBondContact CA-O 3.42Å; V107-A164 HydrophobicContact CG1-CB 4.18Å; L108-A164 PolarHBondContact N-O 2.85Å; I162-A164 WeakPolarHBondContact CG2-O 3.41Å; A164-P204 WeakPolarHBondContact CA-O 3.42Å; A164-P204 HydrophobicContact CB-CB 4.15Å
165I98.9Very high90.6Very high0 Ų055.3 Ų55.30%028%0.279CS..EExtended strand (participates in β ladder)trans-116134.1175.2-53.1179.3000108.8L108 L167 I181 V184 L185 M203 P204 V205 L206L108-I165 HydrophobicContact CB-CG1 4.46Å; L108-I165 CarbonylContact O-C 3.57Å; L108-I165 WeakPolarHBondContact O-CA 3.35Å; I165-L167 HydrophobicContact CG2-CD2 3.64Å; I165-L167 HydrophobicContact CG2-CG 4.26Å; I165-I181 HydrophobicContact CD1-CG2 3.94Å; I165-V184 HydrophobicContact CD1-CB 4.48Å; I165-V184 HydrophobicContact CD1-CG1 3.82Å; I165-V184 HydrophobicContact CG1-CG1 4.17Å; I165-L185 HydrophobicContact CD1-CD2 3.89Å; I165-L185 HydrophobicContact CD1-CG 3.85Å; I165-M203 HydrophobicContact CD1-CE 3.75Å; I165-M203 HydrophobicContact CG1-CE 3.61Å; I165-P204 PolarHBondContact N-O 3.45Å; I165-V205 HydrophobicContact CB-CG1 4.47Å; I165-V205 HydrophobicContact CB-CG2 4.44Å; I165-L206 PolarHBondContact O-N 3.35Å
166I98.8Very high92.3Very high0 Ų052.9 Ų52.90%026%0.262CS..EExtended strand (participates in β ladder)trans-115.2121.1173.7-49.8178.8000108.8L96 V107 L108 V109 S110 F124 F168 L206L96-I166 HydrophobicContact CD1-CG2 3.73Å; V107-I166 HydrophobicContact CB-CD1 3.96Å; V107-I166 HydrophobicContact CB-CG1 4.15Å; V107-I166 HydrophobicContact CG1-CD1 4.12Å; V107-I166 HydrophobicContact CG1-CG1 4.41Å; V107-I166 HydrophobicContact CG2-CD1 3.84Å; L108-I166 PolarHBondContact O-N 2.75Å; V109-I166 WeakPolarHBondContact CA-O 3.35Å; V109-I166 HydrophobicContact CG1-CB 4.25Å; V109-I166 HydrophobicContact CG1-CD1 4.34Å; S110-I166 PolarHBondContact N-O 2.91Å; F124-I166 HydrophobicContact CD1-CD1 3.89Å; F124-I166 HydrophobicContact CD2-CD1 4.16Å; F124-I166 HydrophobicContact CE1-CD1 3.47Å; F124-I166 VanDerWaalsContact CE1-CD1 3.47Å; F124-I166 HydrophobicContact CE2-CD1 3.8Å; F124-I166 HydrophobicContact CG-CD1 4.21Å; F124-I166 HydrophobicContact CZ-CD1 3.44Å; F124-I166 VanDerWaalsContact CZ-CD1 3.44Å; I166-F168 HydrophobicContact CG2-CD1 3.83Å; I166-F168 HydrophobicContact CG2-CD2 4.45Å; I166-F168 HydrophobicContact CG2-CE1 3.67Å; I166-F168 HydrophobicContact CG2-CE2 4.3Å; I166-F168 HydrophobicContact CG2-CG 4.24Å; I166-F168 HydrophobicContact CG2-CZ 3.91Å; I166-L206 HydrophobicContact CG1-CD1 4.24Å
167L98.6Very high94Very high0 Ų047.6 Ų47.60%023%0.225CC..EExtended strand (participates in β ladder)trans-104.995.6176.8-49177.5000107.5I165 G169 I181 V205 L206 C208 H225 L229 L232 Y246I165-L167 HydrophobicContact CG2-CD2 3.64Å; I165-L167 HydrophobicContact CG2-CG 4.26Å; L167-G169 VanDerWaalsContact C-N 3.35Å; L167-I181 HydrophobicContact CD2-CD1 3.7Å; L167-V205 HydrophobicContact CD1-CG1 3.78Å; L167-V205 HydrophobicContact CG-CG1 4.18Å; L167-L206 PolarHBondContact N-O 2.97Å; L167-C208 VanDerWaalsContact O-CB 3.24Å; L167-C208 WeakPolarHBondContact O-CB 3.45Å; L167-C208 PolarHBondContact O-N 2.92Å; L167-C208 PolarHBondContact O-SG 3.14Å; L167-C208 VanDerWaalsContact O-SG 3.36Å; L167-H225 WeakPolarHBondContact CB-NE2 3.25Å; L167-L229 HydrophobicContact CD1-CD2 3.37Å; L167-L232 HydrophobicContact CD1-CD2 4.07Å; L167-Y246 HydrophobicContact CD1-CE1 4.39Å
168F97.9Very high95.2Very high0 Ų041.4 Ų41.40%020%0.202CC..  trans-72.8-28-175.8-75.3-55.4000113.1H93 L96 V109 S110 V115 I118 A119 L122 I166H93-F168 HydrophobicContact CB-CD1 3.51Å; H93-F168 HydrophobicContact CB-CE1 3.79Å; L96-F168 HydrophobicContact CD1-CD1 4.25Å; L96-F168 HydrophobicContact CD1-CE1 3.62Å; V109-F168 HydrophobicContact CB-CD2 4.19Å; V109-F168 HydrophobicContact CB-CE2 3.8Å; V109-F168 HydrophobicContact CG1-CE2 3.75Å; V109-F168 HydrophobicContact CG1-CZ 4.37Å; S110-F168 PolarHBondContact O-N 2.69Å; V115-F168 HydrophobicContact CB-CD2 4.04Å; V115-F168 HydrophobicContact CB-CE2 4.2Å; V115-F168 HydrophobicContact CG1-CD2 4.02Å; I118-F168 HydrophobicContact CB-CZ 4.46Å; I118-F168 HydrophobicContact CG2-CD1 4.21Å; I118-F168 HydrophobicContact CG2-CE1 3.73Å; I118-F168 HydrophobicContact CG2-CE2 4.34Å; I118-F168 HydrophobicContact CG2-CZ 3.81Å; A119-F168 HydrophobicContact CB-CE2 4.29Å; A119-F168 HydrophobicContact CB-CZ 3.98Å; L122-F168 HydrophobicContact CD1-CE1 3.9Å; L122-F168 HydrophobicContact CD1-CZ 4.34Å; I166-F168 HydrophobicContact CG2-CD1 3.83Å; I166-F168 HydrophobicContact CG2-CD2 4.45Å; I166-F168 HydrophobicContact CG2-CE1 3.67Å; I166-F168 HydrophobicContact CG2-CE2 4.3Å; I166-F168 HydrophobicContact CG2-CG 4.24Å; I166-F168 HydrophobicContact CG2-CZ 3.91Å
169G95.2Very high95.9Very high6 Ų637 Ų376%0.06218%0.179CC..SBendtrans170.9-178.6-174.600000110.3G111 L167 P171 H225G111-G169 WeakPolarHBondContact CA-O 3.31Å; L167-G169 VanDerWaalsContact C-N 3.35Å; G169-P171 WeakPolarHBondContact O-CD 3.41Å; G169-H225 VanDerWaalsContact C-CG 3.45Å; G169-H225 PolarHBondContact O-CE1 3.47Å; G169-H225 PolarHBondContact O-ND1 3.26Å
170E93.5Very high96.4Very high51 Ų5135.8 Ų35.824%0.23817%0.172CC..PPolyproline II helixtrans-61.9123.2-179.666.4-65.416200111.1Q112 W174 H225Q112-E170 WeakPolarHBondContact CG-O 3.35Å; Q112-E170 PolarHBondContact NE2-O 2.96Å; E170-W174 HydrophobicContact CB-CZ2 4.48Å; E170-H225 WeakPolarHBondContact CA-ND1 3.34Å; E170-H225 HydrophobicContact CB-CB 4.4Å; E170-H225 PolarHBondContact N-ND1 2.71Å; E170-H225 VanDerWaalsContact N-ND1 3.11Å
171P95.9Very high96.6Very high4 Ų432.3 Ų32.33%0.02615%0.15CC..PPolyproline II helixtrans-79.4164.7174.833.2-34.6000111G169 W174 N177 F228G169-P171 WeakPolarHBondContact O-CD 3.41Å; P171-W174 PolarHBondContact O-NE1 3Å; P171-N177 HydrophobicContact CB-CB 4.21Å; P171-N177 VanDerWaalsContact CB-CG 3.45Å; P171-N177 WeakPolarHBondContact CB-OD1 3.24Å; P171-N177 HydrophobicContact CG-CB 3.66Å; P171-N177 VanDerWaalsContact CG-CG 3.49Å; P171-F228 HydrophobicContact CG-CD2 3.88Å; P171-F228 HydrophobicContact CG-CE1 4.33Å; P171-F228 HydrophobicContact CG-CE2 3.48Å; P171-F228 VanDerWaalsContact CG-CE2 3.48Å; P171-F228 HydrophobicContact CG-CG 4.46Å; P171-F228 HydrophobicContact CG-CZ 3.74Å
172I92.7Very high96.7Very high119 Ų11928.9 Ų28.961%0.6113%0.134SC*.SBendtrans-82.3151161.9-60.1172.5000107.4Q112 N177Q112-I172 HydrophobicContact CG-CD1 4.42Å; Q112-I172 HydrophobicContact CG-CG1 4.06Å; I172-N177 PolarHBondContact O-ND2 3.2Å
173R93.4Very high96.6Very high95 Ų9528.9 Ų28.936%0.35813%0.134SC..  trans60.471.5-178.3-72.4169.250.7-146.6-25.6112.3D141 R147 E175 T176 N177D141-R173 IonicContact OD2-NH2 2.59Å; D141-R173 PolarHBondContact OD2-NH2 3.03Å; R147-R173 VanDerWaalsContact NH2-NE 3.13Å; R173-E175 VanDerWaalsContact CA-OE2 3.26Å; R173-E175 WeakPolarHBondContact CA-OE2 3.25Å; R173-E175 VanDerWaalsContact CB-OE1 3.24Å; R173-E175 WeakPolarHBondContact CB-OE1 3.48Å; R173-E175 WeakPolarHBondContact CG-OE1 3Å; R173-E175 IonicContact NE-OE1 3.58Å; R173-E175 PolarHBondContact O-N 3.48Å; R173-T176 PolarHBondContact NH2-OG1 2.83Å; R173-T176 PolarHBondContact O-N 3.11Å; R173-N177 PolarHBondContact O-N 3.36Å; R173-N177 PolarHBondContact O-ND2 2.93Å
174W96Very high96.6Very high70 Ų7024.6 Ų24.627%0.26511%0.114SC..Hα-helixtrans-59.9-34.5-178.4-73.521.7000111.4E170 P171 T176 N177 L178 M227 F228E170-W174 HydrophobicContact CB-CZ2 4.48Å; P171-W174 PolarHBondContact O-NE1 3Å; W174-T176 PolarHBondContact O-N 2.94Å; W174-N177 PolarHBondContact O-N 3.49Å; W174-L178 HydrophobicContact CB-CD1 4.23Å; W174-L178 WeakPolarHBondContact O-CB 3.34Å; W174-L178 WeakPolarHBondContact O-CD1 3.26Å; W174-L178 WeakPolarHBondContact O-CG 3.46Å; W174-L178 PolarHBondContact O-N 3.35Å; W174-M227 HydrophobicContact CH2-CB 3.91Å; W174-M227 HydrophobicContact CH2-CG 3.8Å; W174-M227 HydrophobicContact CZ3-CG 4.01Å; W174-F228 HydrophobicContact CB-CD2 4.32Å; W174-F228 HydrophobicContact CB-CE2 4.4Å; W174-F228 HydrophobicContact CD2-CB 4.37Å; W174-F228 AromaticContact CD2-CD2 3.69Å; W174-F228 HydrophobicContact CD2-CD2 3.69Å; W174-F228 AromaticContact CE2-CD2 3.93Å; W174-F228 HydrophobicContact CE3-CB 4.38Å; W174-F228 HydrophobicContact CE3-CD2 4.06Å; W174-F228 AromaticContact CG-CD2 3.79Å; W174-F228 HydrophobicContact CG-CD2 3.79Å; W174-F228 HydrophobicContact CG-CE2 4.27Å; W174-F228 HydrophobicContact CH2-CB 3.86Å; W174-F228 HydrophobicContact CZ2-CB 3.81Å; W174-F228 HydrophobicContact CZ3-CB 4.14Å
175E94.9Very high96.5Very high68 Ų6824.8 Ų24.832%0.31812%0.115SC..Hα-helixtrans-57.1-50.2179.673-64.4162.600112.6V143 R147 R173 Q179V143-E175 HydrophobicContact CB-CB 4.27Å; V143-E175 HydrophobicContact CB-CG 3.93Å; V143-E175 HydrophobicContact CG1-CB 3.91Å; V143-E175 HydrophobicContact CG1-CG 3.74Å; V143-E175 HydrophobicContact CG2-CB 4.47Å; R147-E175 IonicContact NH2-OE1 3.52Å; R173-E175 VanDerWaalsContact CA-OE2 3.26Å; R173-E175 WeakPolarHBondContact CA-OE2 3.25Å; R173-E175 VanDerWaalsContact CB-OE1 3.24Å; R173-E175 WeakPolarHBondContact CB-OE1 3.48Å; R173-E175 WeakPolarHBondContact CG-OE1 3Å; R173-E175 IonicContact NE-OE1 3.58Å; R173-E175 PolarHBondContact O-N 3.48Å; E175-Q179 WeakPolarHBondContact O-CB 3.44Å; E175-Q179 PolarHBondContact O-N 2.95Å; E175-Q179 VanDerWaalsContact O-N 3.11Å
176T94.9Very high96.4Very high4 Ų424.9 Ų24.93%0.02512%0.115CC..Hα-helixtrans-73.5-36.9178.4-26.30000111.8D141 R147 R173 W174 Q179 L180D141-T176 WeakPolarHBondContact OD1-CB 3.45Å; D141-T176 PolarHBondContact OD1-OG1 3.35Å; D141-T176 WeakPolarHBondContact OD2-CB 3.21Å; D141-T176 PolarHBondContact OD2-OG1 2.89Å; D141-T176 VanDerWaalsContact OD2-OG1 3.09Å; R147-T176 PolarHBondContact NH2-OG1 2.84Å; R173-T176 PolarHBondContact NH2-OG1 2.83Å; R173-T176 PolarHBondContact O-N 3.11Å; W174-T176 PolarHBondContact O-N 2.94Å; T176-Q179 PolarHBondContact O-N 2.88Å; T176-L180 HydrophobicContact CG2-CD1 4.22Å; T176-L180 WeakPolarHBondContact O-CB 3.12Å; T176-L180 VanDerWaalsContact O-CG 3.29Å; T176-L180 WeakPolarHBondContact O-CG 3.41Å; T176-L180 PolarHBondContact O-N 3.06Å
177N97.6Very high96.2Very high9 Ų925.5 Ų25.55%0.04812%0.119CC..Hα-helixtrans-64-46.4-179.4-82.3-97.5000111.3S110 M130 P171 I172 R173 W174 I181 F228S110-N177 PolarHBondContact OG-OD1 3.15Å; M130-N177 HydrophobicContact CE-CB 4.32Å; M130-N177 WeakPolarHBondContact CG-OD1 3.34Å; P171-N177 HydrophobicContact CB-CB 4.21Å; P171-N177 VanDerWaalsContact CB-CG 3.45Å; P171-N177 WeakPolarHBondContact CB-OD1 3.24Å; P171-N177 HydrophobicContact CG-CB 3.66Å; P171-N177 VanDerWaalsContact CG-CG 3.49Å; I172-N177 PolarHBondContact O-ND2 3.2Å; R173-N177 PolarHBondContact O-N 3.36Å; R173-N177 PolarHBondContact O-ND2 2.93Å; W174-N177 PolarHBondContact O-N 3.49Å; N177-I181 VanDerWaalsContact O-CB 3.24Å; N177-I181 WeakPolarHBondContact O-CB 3.34Å; N177-I181 VanDerWaalsContact O-CD1 3.3Å; N177-I181 WeakPolarHBondContact O-CD1 3.44Å; N177-I181 WeakPolarHBondContact O-CG1 3.26Å; N177-I181 PolarHBondContact O-N 2.83Å; N177-F228 HydrophobicContact CB-CE2 3.89Å; N177-F228 HydrophobicContact CB-CZ 3.87Å
178L97.9Very high96.1Very high19 Ų1928.7 Ų28.710%0.09914%0.136CC..Hα-helixtrans-61.1-47.7176.1-69.2168.4000111W174 V182 F228 C231 L232 I235W174-L178 HydrophobicContact CB-CD1 4.23Å; W174-L178 WeakPolarHBondContact O-CB 3.34Å; W174-L178 WeakPolarHBondContact O-CD1 3.26Å; W174-L178 WeakPolarHBondContact O-CG 3.46Å; W174-L178 PolarHBondContact O-N 3.35Å; L178-V182 WeakPolarHBondContact O-CB 3.43Å; L178-V182 WeakPolarHBondContact O-CG2 3.43Å; L178-V182 PolarHBondContact O-N 3.2Å; L178-F228 HydrophobicContact CD2-CD2 4.22Å; L178-F228 HydrophobicContact CD2-CE2 3.74Å; L178-F228 HydrophobicContact CD2-CZ 3.92Å; L178-F228 HydrophobicContact CG-CD2 4.39Å; L178-F228 HydrophobicContact CG-CE2 3.75Å; L178-F228 HydrophobicContact CG-CZ 4.24Å; L178-C231 HydrophobicContact CD1-CB 4.01Å; L178-C231 HydrophobicContact CD2-CB 4.11Å; L178-L232 HydrophobicContact CD2-CB 3.69Å; L178-L232 HydrophobicContact CD2-CD1 4.16Å; L178-I235 HydrophobicContact CB-CD1 4.02Å; L178-I235 HydrophobicContact CD1-CD1 3.96Å; L178-I235 HydrophobicContact CD2-CD1 4.22Å; L178-I235 HydrophobicContact CG-CD1 4.29Å
179Q96.4Very high96Very high67 Ų6728.8 Ų28.831%0.31314%0.137SC..Hα-helixtrans-58-55.8178.8179.457.962.200111.5L140 E175 T176 I181 V182 D183 Y195L140-Q179 VanDerWaalsContact O-CG 3.29Å; L140-Q179 WeakPolarHBondContact O-CG 3.18Å; E175-Q179 WeakPolarHBondContact O-CB 3.44Å; E175-Q179 PolarHBondContact O-N 2.95Å; E175-Q179 VanDerWaalsContact O-N 3.11Å; T176-Q179 PolarHBondContact O-N 2.88Å; Q179-I181 PolarHBondContact O-N 3.32Å; Q179-V182 PolarHBondContact O-N 3.1Å; Q179-D183 VanDerWaalsContact NE2-CG 3.29Å; Q179-D183 PolarHBondContact NE2-OD1 3.48Å; Q179-D183 PolarHBondContact NE2-OD2 2.81Å; Q179-D183 VanDerWaalsContact O-CG 3.27Å; Q179-D183 PolarHBondContact O-N 3.34Å; Q179-D183 VanDerWaalsContact O-OD2 3.09Å; Q179-Y195 PolarHBondContact NE2-OH 3.07Å
180L97.1Very high96Very high0 Ų035.1 Ų35.10%016%0.159CC..Hα-helixtrans-68.3-35.7-174.8-66.9-179.6000113.1M130 L133 L140 T176 V182 D183 V184M130-L180 HydrophobicContact CE-CB 3.55Å; M130-L180 HydrophobicContact CE-CD1 3.89Å; M130-L180 HydrophobicContact CE-CG 4.32Å; L133-L180 HydrophobicContact CD2-CB 3.98Å; L133-L180 HydrophobicContact CD2-CD1 4.41Å; L140-L180 HydrophobicContact CB-CD2 3.53Å; L140-L180 HydrophobicContact CD1-CD2 4.28Å; T176-L180 HydrophobicContact CG2-CD1 4.22Å; T176-L180 WeakPolarHBondContact O-CB 3.12Å; T176-L180 VanDerWaalsContact O-CG 3.29Å; T176-L180 WeakPolarHBondContact O-CG 3.41Å; T176-L180 PolarHBondContact O-N 3.06Å; L180-V182 VanDerWaalsContact C-N 3.34Å; L180-D183 PolarHBondContact O-N 2.82Å; L180-V184 WeakPolarHBondContact O-CB 3.33Å; L180-V184 VanDerWaalsContact O-CG2 3.26Å; L180-V184 WeakPolarHBondContact O-CG2 3.29Å; L180-V184 PolarHBondContact O-N 3.31Å
181I98.3Very high95.8Very high0 Ų033.1 Ų33.10%015%0.151CC..Hα-helixtrans-64.6-42.8173.9-71.1165.2000110L108 M130 I165 L167 N177 Q179 V184 L185 F228 L232L108-I181 HydrophobicContact CD2-CG1 4.44Å; M130-I181 HydrophobicContact CE-CG1 4.25Å; M130-I181 HydrophobicContact SD-CG1 4.33Å; I165-I181 HydrophobicContact CD1-CG2 3.94Å; L167-I181 HydrophobicContact CD2-CD1 3.7Å; N177-I181 VanDerWaalsContact O-CB 3.24Å; N177-I181 WeakPolarHBondContact O-CB 3.34Å; N177-I181 VanDerWaalsContact O-CD1 3.3Å; N177-I181 WeakPolarHBondContact O-CD1 3.44Å; N177-I181 WeakPolarHBondContact O-CG1 3.26Å; N177-I181 PolarHBondContact O-N 2.83Å; Q179-I181 PolarHBondContact O-N 3.32Å; I181-V184 PolarHBondContact O-N 3.21Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.45Å; I181-L185 WeakPolarHBondContact O-CB 3.48Å; I181-L185 VanDerWaalsContact O-CG 3.29Å; I181-L185 WeakPolarHBondContact O-CG 3.41Å; I181-L185 PolarHBondContact O-N 3.48Å; I181-F228 HydrophobicContact CD1-CE1 4.14Å; I181-F228 HydrophobicContact CD1-CZ 3.89Å; I181-L232 HydrophobicContact CB-CD1 4.25Å; I181-L232 HydrophobicContact CG2-CD1 3.67Å; I181-L232 HydrophobicContact CG2-CD2 3.81Å; I181-L232 HydrophobicContact CG2-CG 4.39Å
182V97.1Very high95.3Very high3 Ų335.8 Ų35.82%0.01818%0.179CC..Hα-helixtrans-64.2-43.7176168.60000111.1L178 Q179 L180 V184 L185 L186 L232 I235 L239L178-V182 WeakPolarHBondContact O-CB 3.43Å; L178-V182 WeakPolarHBondContact O-CG2 3.43Å; L178-V182 PolarHBondContact O-N 3.2Å; Q179-V182 PolarHBondContact O-N 3.1Å; L180-V182 VanDerWaalsContact C-N 3.34Å; V182-V184 VanDerWaalsContact C-N 3.29Å; V182-V184 PolarHBondContact O-N 3.36Å; V182-L185 PolarHBondContact O-N 3.44Å; V182-L186 HydrophobicContact CG1-CD1 3.68Å; V182-L186 HydrophobicContact CG1-CG 4.12Å; V182-L186 WeakPolarHBondContact O-CB 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.18Å; V182-L186 PolarHBondContact O-N 3.21Å; V182-L232 HydrophobicContact CG2-CD1 3.81Å; V182-I235 HydrophobicContact CG2-CG2 3.8Å; V182-L239 HydrophobicContact CG1-CD1 3.54Å
183D96.8Very high95.1Very high2 Ų233.5 Ų33.51%0.01117%0.173CC..Hα-helixtrans-54.3-48.5174.5-70.2-42.6000110.9L140 Q179 L180 L186 T187 P191 Y195L140-D183 HydrophobicContact CD1-CB 4.46Å; Q179-D183 VanDerWaalsContact NE2-CG 3.29Å; Q179-D183 PolarHBondContact NE2-OD1 3.48Å; Q179-D183 PolarHBondContact NE2-OD2 2.81Å; Q179-D183 VanDerWaalsContact O-CG 3.27Å; Q179-D183 PolarHBondContact O-N 3.34Å; Q179-D183 VanDerWaalsContact O-OD2 3.09Å; L180-D183 PolarHBondContact O-N 2.82Å; D183-L186 PolarHBondContact O-N 2.95Å; D183-T187 VanDerWaalsContact O-CB 3.32Å; D183-T187 WeakPolarHBondContact O-CB 3.34Å; D183-T187 VanDerWaalsContact O-CG2 3.24Å; D183-T187 WeakPolarHBondContact O-CG2 3.48Å; D183-T187 PolarHBondContact O-N 3.3Å; D183-T187 PolarHBondContact O-OG1 3.32Å; D183-P191 HydrophobicContact CB-CB 3.93Å; D183-Y195 HydrophobicContact CB-CE1 4.41Å; D183-Y195 WeakPolarHBondContact OD1-CE1 3.29Å; D183-Y195 PolarHBondContact OD1-OH 2.82Å
184V97.7Very high95Very high0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-65.5-40.1-179.7164.80000111.9L108 L133 I162 I165 L180 I181 V182 N188 G189 P191 M203L108-V184 HydrophobicContact CD2-CB 4.33Å; L108-V184 HydrophobicContact CD2-CG1 4.2Å; L108-V184 HydrophobicContact CD2-CG2 4.06Å; L133-V184 HydrophobicContact CD2-CG2 3.65Å; I162-V184 HydrophobicContact CB-CG1 4.28Å; I162-V184 HydrophobicContact CD1-CG1 4.06Å; I162-V184 HydrophobicContact CD1-CG2 3.76Å; I162-V184 HydrophobicContact CG2-CG1 3.98Å; I165-V184 HydrophobicContact CD1-CB 4.48Å; I165-V184 HydrophobicContact CD1-CG1 3.82Å; I165-V184 HydrophobicContact CG1-CG1 4.17Å; L180-V184 WeakPolarHBondContact O-CB 3.33Å; L180-V184 VanDerWaalsContact O-CG2 3.26Å; L180-V184 WeakPolarHBondContact O-CG2 3.29Å; L180-V184 PolarHBondContact O-N 3.31Å; I181-V184 PolarHBondContact O-N 3.21Å; V182-V184 VanDerWaalsContact C-N 3.29Å; V182-V184 PolarHBondContact O-N 3.36Å; V184-N188 PolarHBondContact O-N 2.96Å; V184-G189 PolarHBondContact O-N 3.11Å; V184-P191 HydrophobicContact CG2-CB 3.98Å; V184-P191 HydrophobicContact CG2-CG 3.79Å; V184-M203 HydrophobicContact CG1-CE 3.33Å
185L97.4Very high94.8Very high4 Ų436.7 Ų36.72%0.02120%0.2CC..Hα-helixtrans-65.3-45.9175.9-74.5168.4000112.2I165 I181 V182 T187 N188 Q202 V205 Y236 L244I165-L185 HydrophobicContact CD1-CD2 3.89Å; I165-L185 HydrophobicContact CD1-CG 3.85Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.45Å; I181-L185 WeakPolarHBondContact O-CB 3.48Å; I181-L185 VanDerWaalsContact O-CG 3.29Å; I181-L185 WeakPolarHBondContact O-CG 3.41Å; I181-L185 PolarHBondContact O-N 3.48Å; V182-L185 PolarHBondContact O-N 3.44Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.07Å; L185-N188 PolarHBondContact O-N 2.95Å; L185-Q202 HydrophobicContact CD2-CG 4.38Å; L185-V205 HydrophobicContact CD2-CG2 3.78Å; L185-Y236 HydrophobicContact CB-CD2 4.42Å; L185-Y236 HydrophobicContact CB-CE2 4.12Å; L185-Y236 HydrophobicContact CD1-CD2 3.99Å; L185-Y236 HydrophobicContact CD1-CE2 4.28Å; L185-L244 HydrophobicContact CD1-CD1 3.69Å; L185-L244 HydrophobicContact CD2-CD1 4.4Å
186L96.1Very high94.6Very high2 Ų236.9 Ų36.91%0.0120%0.203CC..Hα-helixtrans-79-12-175.3-62.8-175.9000113.7V182 D183 Y195 D196 Y236 L239 T240V182-L186 HydrophobicContact CG1-CD1 3.68Å; V182-L186 HydrophobicContact CG1-CG 4.12Å; V182-L186 WeakPolarHBondContact O-CB 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.18Å; V182-L186 PolarHBondContact O-N 3.21Å; D183-L186 PolarHBondContact O-N 2.95Å; L186-Y195 HydrophobicContact CB-CD1 3.83Å; L186-Y195 HydrophobicContact CB-CD2 4.27Å; L186-Y195 HydrophobicContact CB-CE1 4.29Å; L186-Y195 HydrophobicContact CB-CG 3.81Å; L186-Y195 HydrophobicContact CD1-CD1 4.44Å; L186-Y195 HydrophobicContact CD1-CD2 3.5Å; L186-Y195 HydrophobicContact CD1-CE2 3.6Å; L186-Y195 HydrophobicContact CD1-CG 3.94Å; L186-D196 PolarHBondContact O-N 2.81Å; L186-Y236 HydrophobicContact CD2-CD2 4.46Å; L186-Y236 HydrophobicContact CD2-CE2 4.02Å; L186-L239 HydrophobicContact CD1-CB 4.43Å; L186-L239 HydrophobicContact CD1-CD1 4.06Å; L186-T240 HydrophobicContact CD2-CG2 3.37Å
187T95.6Very high94.1Very high13 Ų1339.7 Ų39.78%0.0822%0.221CC..THydrogen-bonded Turntrans-109.57.8176.260.80000113.2D183 L185 G189 R190 P191 C193 Y195D183-T187 VanDerWaalsContact O-CB 3.32Å; D183-T187 WeakPolarHBondContact O-CB 3.34Å; D183-T187 VanDerWaalsContact O-CG2 3.24Å; D183-T187 WeakPolarHBondContact O-CG2 3.48Å; D183-T187 PolarHBondContact O-N 3.3Å; D183-T187 PolarHBondContact O-OG1 3.32Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.07Å; T187-G189 VanDerWaalsContact C-N 3.28Å; T187-G189 PolarHBondContact O-N 2.73Å; T187-R190 VanDerWaalsContact CB-C 3.47Å; T187-R190 WeakPolarHBondContact CB-O 3.24Å; T187-R190 PolarHBondContact O-N 3.25Å; T187-R190 PolarHBondContact OG1-N 3.44Å; T187-R190 PolarHBondContact OG1-O 3.02Å; T187-P191 WeakPolarHBondContact OG1-CA 3.35Å; T187-C193 HydrophobicContact CG2-CB 4.36Å; T187-C193 VanDerWaalsContact CG2-O 3.24Å; T187-C193 WeakPolarHBondContact CG2-O 3.5Å; T187-Y195 HydrophobicContact CG2-CD1 3.92Å; T187-Y195 HydrophobicContact CG2-CE1 4.44Å
188N95.6Very high93.4Very high66 Ų6649.2 Ų49.235%0.35326%0.256SS..THydrogen-bonded Turntrans51.546.6-176.7-166.327.9000112.7Q161 V184 L185 L199Q161-N188 PolarHBondContact NE2-O 3.49Å; V184-N188 PolarHBondContact O-N 2.96Å; L185-N188 PolarHBondContact O-N 2.95Å; N188-L199 HydrophobicContact CB-CD1 4.06Å; N188-L199 HydrophobicContact CB-CD2 4.13Å
189G96Very high92.6Very high2 Ų250 Ų502%0.02126%0.26CS..SBendtrans86.513.6176.600000115.9I162 V184 T187I162-G189 PolarHBondContact N-O 3.26Å; I162-G189 VanDerWaalsContact N-O 3.1Å; I162-G189 WeakPolarHBondContact O-CA 3.14Å; V184-G189 PolarHBondContact O-N 3.11Å; T187-G189 VanDerWaalsContact C-N 3.28Å; T187-G189 PolarHBondContact O-N 2.73Å
190R94.4Very high91.8Very high140 Ų14053 Ų5353%0.52829%0.288SS..  trans-130.269.7-178.7-60.3-174.9-176.9-1690.7111.3Q161 T187 G192 C193Q161-R190 HydrophobicContact CB-CG 4.42Å; Q161-R190 HydrophobicContact CG-CG 4Å; Q161-R190 VanDerWaalsContact OE1-NE 3.09Å; T187-R190 VanDerWaalsContact CB-C 3.47Å; T187-R190 WeakPolarHBondContact CB-O 3.24Å; T187-R190 PolarHBondContact O-N 3.25Å; T187-R190 PolarHBondContact OG1-N 3.44Å; T187-R190 PolarHBondContact OG1-O 3.02Å; R190-G192 PolarHBondContact O-N 3.25Å; R190-C193 HydrophobicContact CB-CB 4.44Å; R190-C193 VanDerWaalsContact O-CB 3.31Å; R190-C193 WeakPolarHBondContact O-CB 3.45Å; R190-C193 PolarHBondContact O-N 3.3Å
191P89.8Confident91.3Very high9 Ų956.1 Ų56.16%0.05831%0.314CS..THydrogen-bonded Turntrans-64.7-8.2-167.624.9-33.7000115.4L133 L140 D183 V184 T187 C193L133-P191 HydrophobicContact CD1-CG 3.46Å; L133-P191 VanDerWaalsContact CD1-CG 3.46Å; L140-P191 HydrophobicContact CD1-CB 3.68Å; L140-P191 WeakPolarHBondContact CD1-O 3.3Å; D183-P191 HydrophobicContact CB-CB 3.93Å; V184-P191 HydrophobicContact CG2-CB 3.98Å; V184-P191 HydrophobicContact CG2-CG 3.79Å; T187-P191 WeakPolarHBondContact OG1-CA 3.35Å; P191-C193 VanDerWaalsContact C-N 3.3Å
192G85.4Confident91.1Very high60 Ų6058.5 Ų58.562%0.61933%0.325SS*.THydrogen-bonded Turntrans-79.3-3.9166.900000115.3R190R190-G192 PolarHBondContact O-N 3.25Å
193C88.9Confident91.1Very high71 Ų7158.7 Ų58.748%0.4833%0.326SS..SBendtrans-93.5163.6178.4-64.40000112T187 R190 P191T187-C193 HydrophobicContact CG2-CB 4.36Å; T187-C193 VanDerWaalsContact CG2-O 3.24Å; T187-C193 WeakPolarHBondContact CG2-O 3.5Å; R190-C193 HydrophobicContact CB-CB 4.44Å; R190-C193 VanDerWaalsContact O-CB 3.31Å; R190-C193 WeakPolarHBondContact O-CB 3.45Å; R190-C193 PolarHBondContact O-N 3.3Å; P191-C193 VanDerWaalsContact C-N 3.3Å
194V90.4Very high91.1Very high137 Ų13759.9 Ų59.983%0.8333%0.334SS*.PPolyproline II helixtrans-67143171.5-177.10000109.5
195Y92.8Very high91.2Very high95 Ų9559.9 Ų59.937%0.37333%0.334SS..PPolyproline II helixtrans-57.8141.1175.2-68.3-4.1000112.4Q179 D183 L186 T187Q179-Y195 PolarHBondContact NE2-OH 3.07Å; D183-Y195 HydrophobicContact CB-CE1 4.41Å; D183-Y195 WeakPolarHBondContact OD1-CE1 3.29Å; D183-Y195 PolarHBondContact OD1-OH 2.82Å; L186-Y195 HydrophobicContact CB-CD1 3.83Å; L186-Y195 HydrophobicContact CB-CD2 4.27Å; L186-Y195 HydrophobicContact CB-CE1 4.29Å; L186-Y195 HydrophobicContact CB-CG 3.81Å; L186-Y195 HydrophobicContact CD1-CD1 4.44Å; L186-Y195 HydrophobicContact CD1-CD2 3.5Å; L186-Y195 HydrophobicContact CD1-CE2 3.6Å; L186-Y195 HydrophobicContact CD1-CG 3.94Å; T187-Y195 HydrophobicContact CG2-CD1 3.92Å; T187-Y195 HydrophobicContact CG2-CE1 4.44Å
196D90.7Very high91.2Very high72 Ų7259.7 Ų59.739%0.38533%0.333SS..  trans-121.1103.7167.2-176.84.1000109.6L186 R198 L199L186-D196 PolarHBondContact O-N 2.81Å; D196-R198 PolarHBondContact O-N 3.36Å; D196-R198 WeakPolarHBondContact OD1-CA 3.33Å; D196-R198 WeakPolarHBondContact OD1-CB 3.33Å; D196-R198 PolarHBondContact OD1-N 2.85Å; D196-L199 HydrophobicContact CB-CD2 4.18Å; D196-L199 HydrophobicContact CB-CG 4.01Å; D196-L199 WeakPolarHBondContact O-CD1 3.29Å; D196-L199 WeakPolarHBondContact O-CG 3.32Å
197T83.1Confident91.3Very high63 Ų6359.6 Ų59.639%0.38733%0.333SS..THydrogen-bonded Turntrans-80.2-2.1176.557.40000113
198R83Confident91.4Very high208 Ų20859 Ų5979%0.78533%0.329SS*.THydrogen-bonded Turntrans-104.85.8-177.4-58.3-179.3-177.4178.61.3113.2D196 S200D196-R198 PolarHBondContact O-N 3.36Å; D196-R198 WeakPolarHBondContact OD1-CA 3.33Å; D196-R198 WeakPolarHBondContact OD1-CB 3.33Å; D196-R198 PolarHBondContact OD1-N 2.85Å; R198-S200 PolarHBondContact O-N 3.19Å
199L81.8Confident91.2Very high37 Ų3756.4 Ų56.419%0.19432%0.315CS..  trans-43.9129.3174.8-69.4170000111N188 D196 A201 R242N188-L199 HydrophobicContact CB-CD1 4.06Å; N188-L199 HydrophobicContact CB-CD2 4.13Å; D196-L199 HydrophobicContact CB-CD2 4.18Å; D196-L199 HydrophobicContact CB-CG 4.01Å; D196-L199 WeakPolarHBondContact O-CD1 3.29Å; D196-L199 WeakPolarHBondContact O-CG 3.32Å; L199-A201 VanDerWaalsContact C-N 3.34Å; L199-R242 PolarHBondContact O-NH1 2.85Å
200S78.9Confident91Very high129 Ų12958.9 Ų58.990%0.90233%0.326SS*.SBendtrans-73.2-28.4-176.652.50000112.8R198R198-S200 PolarHBondContact O-N 3.19Å
201A88.6Confident90.8Very high66 Ų6653.2 Ų53.255%0.54531%0.307SS..SBendtrans-131.3137.817800000110.5L199L199-A201 VanDerWaalsContact C-N 3.34Å
202Q93.8Very high90.9Very high49 Ų4955.7 Ų55.723%0.22932%0.319CS..PPolyproline II helixtrans-77.2140.4172.4-163.9-165-82.600109.9L185 E245L185-Q202 HydrophobicContact CD2-CG 4.38Å; Q202-E245 PolarHBondContact NE2-O 3.48Å
203M95.4Very high91.1Very high8 Ų856.8 Ų56.84%0.03931%0.31CS..PPolyproline II helixtrans-63.3141.7169.3-175.5172.757.100110.3I162 Q163 I165 V184 V205I162-M203 HydrophobicContact CG2-CE 4.1Å; I162-M203 HydrophobicContact CG2-SD 4.08Å; I162-M203 VanDerWaalsContact O-SD 3.35Å; Q163-M203 WeakPolarHBondContact O-CG 3.4Å; I165-M203 HydrophobicContact CD1-CE 3.75Å; I165-M203 HydrophobicContact CG1-CE 3.61Å; V184-M203 HydrophobicContact CG1-CE 3.33Å; M203-V205 PolarHBondContact O-N 3.05Å
204P98.1Very high90.8Very high27 Ų2758.3 Ų58.318%0.17531%0.306CS..PPolyproline II helixtrans-58.8134.1179.6-27.736.2000113.4F102 A164 I165 E247F102-P204 HydrophobicContact CE1-CB 3.63Å; F102-P204 HydrophobicContact CE1-CG 3.97Å; F102-P204 HydrophobicContact CZ-CB 4.06Å; F102-P204 HydrophobicContact CZ-CG 4.36Å; A164-P204 WeakPolarHBondContact CA-O 3.42Å; A164-P204 HydrophobicContact CB-CB 4.15Å; I165-P204 PolarHBondContact N-O 3.45Å; P204-E247 HydrophobicContact CB-CB 3.99Å; P204-E247 HydrophobicContact CB-CG 4.23Å
205V98.6Very high90.4Very high0 Ų055.7 Ų55.70%029%0.286CS..EExtended strand (participates in β ladder)trans-121.3125.7172.6-174.50000109I165 L167 L185 M203 Y246 E247I165-V205 HydrophobicContact CB-CG1 4.47Å; I165-V205 HydrophobicContact CB-CG2 4.44Å; L167-V205 HydrophobicContact CD1-CG1 3.78Å; L167-V205 HydrophobicContact CG-CG1 4.18Å; L185-V205 HydrophobicContact CD2-CG2 3.78Å; M203-V205 PolarHBondContact O-N 3.05Å; V205-Y246 HydrophobicContact CB-CD1 4.07Å; V205-Y246 HydrophobicContact CB-CE1 4.47Å; V205-Y246 HydrophobicContact CG1-CD1 3.76Å; V205-Y246 HydrophobicContact CG1-CE1 3.79Å; V205-E247 PolarHBondContact O-N 2.95Å
206L98.4Very high89.8Confident0 Ų051.5 Ų51.50%027%0.271CS..EExtended strand (participates in β ladder)trans-108.6107.9178.8-53.3-179.3000108.5L96 M99 F102 I165 I166 L167 E247 A248L96-L206 HydrophobicContact CD2-CB 4.25Å; L96-L206 HydrophobicContact CD2-CD1 3.75Å; M99-L206 HydrophobicContact CE-CD1 4.23Å; M99-L206 HydrophobicContact CE-CD2 3.67Å; M99-L206 HydrophobicContact SD-CD1 4.37Å; M99-L206 HydrophobicContact SD-CD2 4.39Å; F102-L206 HydrophobicContact CD1-CD1 4.26Å; F102-L206 HydrophobicContact CG-CD1 4.22Å; I165-L206 PolarHBondContact O-N 3.35Å; I166-L206 HydrophobicContact CG1-CD1 4.24Å; L167-L206 PolarHBondContact N-O 2.97Å; L206-E247 HydrophobicContact CD2-CB 3.88Å; L206-E247 HydrophobicContact CD2-CG 4.08Å; L206-A248 HydrophobicContact CD2-CB 3.73Å
207A97.8Very high89.3Confident0 Ų054.7 Ų54.70%028%0.284CS..EExtended strand (participates in β ladder)trans-97.5124.3178.300000110.3M210 L229 Y246 A248 L250A207-M210 HydrophobicContact CB-SD 4.2Å; A207-L229 HydrophobicContact CB-CD1 3.99Å; A207-L229 HydrophobicContact CB-CD2 4.42Å; A207-Y246 HydrophobicContact CB-CD1 3.68Å; A207-Y246 HydrophobicContact CB-CE1 3.76Å; A207-Y246 HydrophobicContact CB-CG 4.44Å; A207-A248 PolarHBondContact N-O 3.38Å; A207-L250 PolarHBondContact O-N 3.38Å
208C97.3Very high89.2Confident0 Ų053.5 Ų53.50%028%0.28CS..  trans-90.5-19.2-173.6-620000114.1S92 H93 L167 L250 G251S92-C208 WeakPolarHBondContact CB-O 3.49Å; H93-C208 HydrophobicContact CB-CB 4.29Å; L167-C208 VanDerWaalsContact O-CB 3.24Å; L167-C208 WeakPolarHBondContact O-CB 3.45Å; L167-C208 PolarHBondContact O-N 2.92Å; L167-C208 PolarHBondContact O-SG 3.14Å; L167-C208 VanDerWaalsContact O-SG 3.36Å; C208-L250 CarbonylContact C-O 3.32Å; C208-L250 CarbonylContact O-C 3.05Å; C208-G251 WeakPolarHBondContact O-CA 3.42Å; C208-G251 PolarHBondContact O-N 2.92Å; C208-G251 VanDerWaalsContact O-N 3.12Å
209N92.9Very high89.3Confident12 Ų1250 Ų506%0.06428%0.284CS..  trans-147.9126.6-176.2-178.19.3000110.8N63 D211 H225N63-N209 PolarHBondContact ND2-OD1 3.26Å; N209-D211 WeakPolarHBondContact OD1-CB 3.35Å; N209-D211 PolarHBondContact OD1-N 2.8Å; N209-D211 PolarHBondContact OD1-OD2 3.17Å; N209-H225 HydrophobicContact CB-CB 4.05Å; N209-H225 PolarHBondContact O-CD2 3.03Å
210M91Very high89.5Confident53 Ų5351.6 Ų51.626%0.26130%0.299SS..  trans-102.81.3179-61.9-58.1-64.800113.9A207 L212 G226 L229 V249A207-M210 HydrophobicContact CB-SD 4.2Å; M210-L212 PolarHBondContact O-N 2.9Å; M210-G226 WeakPolarHBondContact O-CA 3.37Å; M210-L229 HydrophobicContact CE-CD1 3.87Å; M210-L229 HydrophobicContact SD-CD1 3.29Å; M210-L229 WeakPolarHBondContact SD-CD1 3.45Å; M210-V249 HydrophobicContact CG-CG1 3.16Å; M210-V249 HydrophobicContact SD-CG1 3.6Å; M210-V249 VanDerWaalsContact SD-CG1 3.6Å; M210-V249 HydrophobicContact SD-CG2 4.4Å
211D90.9Very high89.9Confident21 Ų2148 Ų4811%0.11227%0.272CS..  trans-59.7110.4-175.3-68.8-16.5000110.3N63 N209 L213 G224 H225 G226N63-D211 WeakPolarHBondContact CB-OD2 3.46Å; N63-D211 PolarHBondContact ND2-OD1 3.11Å; N63-D211 VanDerWaalsContact ND2-OD1 3.1Å; N63-D211 PolarHBondContact ND2-OD2 3.4Å; N209-D211 WeakPolarHBondContact OD1-CB 3.35Å; N209-D211 PolarHBondContact OD1-N 2.8Å; N209-D211 PolarHBondContact OD1-OD2 3.17Å; D211-L213 VanDerWaalsContact C-N 3.26Å; D211-L213 PolarHBondContact O-N 3.17Å; D211-G224 CarbonylContact O-C 3.53Å; D211-G224 VanDerWaalsContact O-C 3.23Å; D211-G224 VanDerWaalsContact O-CA 3.29Å; D211-G224 WeakPolarHBondContact O-CA 3.48Å; D211-H225 PolarHBondContact O-N 3.22Å; D211-G226 PolarHBondContact O-N 3.36Å
212L91.8Very high89.9Confident62 Ų6250.1 Ų50.133%0.32527%0.266SS..SBendtrans-62.7-39.7173.3-78.5172.7000110.9M210 G224M210-L212 PolarHBondContact O-N 2.9Å; L212-G224 PolarHBondContact O-N 2.63Å
213L89.3Confident89.9Confident82 Ų8252.3 Ų52.343%0.42928%0.279SS..EExtended strand (participates in β ladder)trans-134.1147.8-176-60.8176.3000110D211 P221 R222 L223D211-L213 VanDerWaalsContact C-N 3.26Å; D211-L213 PolarHBondContact O-N 3.17Å; L213-P221 HydrophobicContact CB-CB 3.87Å; L213-P221 HydrophobicContact CD1-CB 4.21Å; L213-P221 HydrophobicContact CD2-CB 4.45Å; L213-P221 HydrophobicContact CG-CB 4.41Å; L213-R222 CarbonylContact C-O 3.23Å; L213-R222 WeakPolarHBondContact CA-O 3.1Å; L213-L223 HydrophobicContact CD2-CD2 3.99Å
214W83.1Confident89.7Confident103 Ų10352 Ų5239%0.3928%0.277SS..EExtended strand (participates in β ladder)trans-136.5154.9172.671.2-78.5000111.9A216 P221 R222 L223W214-A216 HydrophobicContact CD2-CB 4.44Å; W214-A216 HydrophobicContact CE3-CB 4.07Å; W214-A216 HydrophobicContact CH2-CB 3.49Å; W214-A216 VanDerWaalsContact CH2-CB 3.49Å; W214-A216 HydrophobicContact CZ2-CB 3.89Å; W214-A216 HydrophobicContact CZ3-CB 3.59Å; W214-A216 PolarHBondContact O-N 2.75Å; W214-P221 CarbonylContact O-C 3.49Å; W214-P221 WeakPolarHBondContact O-CA 3.24Å; W214-R222 HydrophobicContact CZ2-CB 4.35Å; W214-R222 PolarHBondContact N-O 3.23Å; W214-R222 PolarHBondContact O-N 3.09Å; W214-L223 PolarHBondContact NE1-O 3.41Å
215M80.8Confident89.6Confident82 Ų8250.7 Ų50.740%0.40427%0.269SS..  trans-89.491-175.6-63.3-56.7-60.300111.2G33 P221G33-M215 PolarHBondContact N-O 2.84Å; M215-P221 HydrophobicContact SD-CB 4.1Å; M215-P221 HydrophobicContact SD-CG 3.74Å
216A80Confident89.4Confident8 Ų851 Ų517%0.06627%0.271CS..  trans-81.4-168.3169.800000111.9W214 A218 R222W214-A216 HydrophobicContact CD2-CB 4.44Å; W214-A216 HydrophobicContact CE3-CB 4.07Å; W214-A216 HydrophobicContact CH2-CB 3.49Å; W214-A216 VanDerWaalsContact CH2-CB 3.49Å; W214-A216 HydrophobicContact CZ2-CB 3.89Å; W214-A216 HydrophobicContact CZ3-CB 3.59Å; W214-A216 PolarHBondContact O-N 2.75Å; A216-A218 VanDerWaalsContact C-N 3.28Å; A216-A218 PolarHBondContact O-N 3.2Å; A216-R222 HydrophobicContact CB-CB 4.38Å; A216-R222 HydrophobicContact CB-CG 3.44Å; A216-R222 VanDerWaalsContact CB-CG 3.44Å
217E80.1Confident89.3Confident139 Ų13953.3 Ų53.365%0.6528%0.283SS*.SBendtrans-68.6-24.7177.9-64.972.6-160.600113.2G34G34-E217 PolarHBondContact N-OE1 2.98Å
218A82.6Confident89.3Confident38 Ų3853.3 Ų53.331%0.31428%0.283SS..SBendtrans-67151.8179.200000111.8A216 S220A216-A218 VanDerWaalsContact C-N 3.28Å; A216-A218 PolarHBondContact O-N 3.2Å; A218-S220 PolarHBondContact O-N 2.88Å
219P83.4Confident89.4Confident134 Ų13453.3 Ų53.387%0.8728%0.283SS*.SBendtrans-58.3-34.7178.5-26.134.7000113.9
220S87.1Confident89.6Confident71 Ų7156.5 Ų56.550%0.49730%0.3SS..SBendtrans-101.6145.5178.6-580000111.1A218 R222A218-S220 PolarHBondContact O-N 2.88Å; S220-R222 PolarHBondContact O-NE 3.39Å; S220-R222 PolarHBondContact O-NH2 2.8Å
221P86.8Confident89.9Confident52 Ų5256 Ų5634%0.33830%0.301SS..PPolyproline II helixtrans-53.9151.2176.6-20.628.7000112.7L213 W214 M215L213-P221 HydrophobicContact CB-CB 3.87Å; L213-P221 HydrophobicContact CD1-CB 4.21Å; L213-P221 HydrophobicContact CD2-CB 4.45Å; L213-P221 HydrophobicContact CG-CB 4.41Å; W214-P221 CarbonylContact O-C 3.49Å; W214-P221 WeakPolarHBondContact O-CA 3.24Å; M215-P221 HydrophobicContact SD-CB 4.1Å; M215-P221 HydrophobicContact SD-CG 3.74Å
222R89.8Confident90.3Very high112 Ų11255 Ų5542%0.42330%0.296SS..EExtended strand (participates in β ladder)trans-101.1156.1174.7-58.1-60.482.2-170.2-7.6109.9L213 W214 A216 S220 G224L213-R222 CarbonylContact C-O 3.23Å; L213-R222 WeakPolarHBondContact CA-O 3.1Å; W214-R222 HydrophobicContact CZ2-CB 4.35Å; W214-R222 PolarHBondContact N-O 3.23Å; W214-R222 PolarHBondContact O-N 3.09Å; A216-R222 HydrophobicContact CB-CB 4.38Å; A216-R222 HydrophobicContact CB-CG 3.44Å; A216-R222 VanDerWaalsContact CB-CG 3.44Å; S220-R222 PolarHBondContact O-NE 3.39Å; S220-R222 PolarHBondContact O-NH2 2.8Å; R222-G224 PolarHBondContact O-N 3.4Å
223L92.7Very high90.6Very high95 Ų9554.9 Ų54.950%0.49729%0.294SS..EExtended strand (participates in β ladder)trans-62.5131.1174.2-59.7177.9000109.8L213 W214 M227L213-L223 HydrophobicContact CD2-CD2 3.99Å; W214-L223 PolarHBondContact NE1-O 3.41Å; L223-M227 HydrophobicContact CB-CB 4.21Å; L223-M227 HydrophobicContact CB-CG 4.38Å; L223-M227 HydrophobicContact CD1-CG 4.06Å; L223-M227 HydrophobicContact CD2-CB 4.23Å; L223-M227 HydrophobicContact CD2-CE 3.74Å; L223-M227 HydrophobicContact CD2-CG 3.92Å; L223-M227 HydrophobicContact CG-CG 4.33Å
224G91.6Very high91Very high1 Ų154.1 Ų54.11%0.0130%0.295CS..  trans-104.1-171.4174.100000112.3D211 L212 R222 G226 M227D211-G224 CarbonylContact O-C 3.53Å; D211-G224 VanDerWaalsContact O-C 3.23Å; D211-G224 VanDerWaalsContact O-CA 3.29Å; D211-G224 WeakPolarHBondContact O-CA 3.48Å; L212-G224 PolarHBondContact O-N 2.63Å; R222-G224 PolarHBondContact O-N 3.4Å; G224-G226 VanDerWaalsContact C-N 3.25Å; G224-G226 PolarHBondContact O-N 2.6Å; G224-M227 PolarHBondContact O-N 3.09Å; G224-M227 VanDerWaalsContact O-N 3.14Å
225H95.1Very high91.7Very high0 Ų052.2 Ų52.20%029%0.292CS..Hα-helixtrans-59.6-33.6-179.3-168.843000113.6L167 G169 E170 N209 D211 M227 F228 L229L167-H225 WeakPolarHBondContact CB-NE2 3.25Å; G169-H225 VanDerWaalsContact C-CG 3.45Å; G169-H225 PolarHBondContact O-CE1 3.47Å; G169-H225 PolarHBondContact O-ND1 3.26Å; E170-H225 WeakPolarHBondContact CA-ND1 3.34Å; E170-H225 HydrophobicContact CB-CB 4.4Å; E170-H225 PolarHBondContact N-ND1 2.71Å; E170-H225 VanDerWaalsContact N-ND1 3.11Å; N209-H225 HydrophobicContact CB-CB 4.05Å; N209-H225 PolarHBondContact O-CD2 3.03Å; D211-H225 PolarHBondContact O-N 3.22Å; H225-M227 PolarHBondContact O-N 2.83Å; H225-M227 VanDerWaalsContact O-N 3.15Å; H225-F228 AromaticContact CE1-CD1 3.62Å; H225-F228 AromaticContact ND1-CD1 3.87Å; H225-F228 WeakPolarHBondContact O-CA 3.37Å; H225-F228 VanDerWaalsContact O-CB 3.32Å; H225-F228 WeakPolarHBondContact O-CB 3.48Å; H225-F228 PolarHBondContact O-N 2.97Å; H225-L229 WeakPolarHBondContact O-CG 3.49Å; H225-L229 PolarHBondContact O-N 3.4Å
226G95.5Very high92.5Very high5 Ų549.1 Ų49.15%0.05228%0.276CS..Hα-helixtrans-57.3-31.6177.400000113.2M210 D211 G224 L229 L230M210-G226 WeakPolarHBondContact O-CA 3.37Å; D211-G226 PolarHBondContact O-N 3.36Å; G224-G226 VanDerWaalsContact C-N 3.25Å; G224-G226 PolarHBondContact O-N 2.6Å; G226-L229 PolarHBondContact O-N 2.91Å; G226-L230 PolarHBondContact O-N 3.29Å
227M96.6Very high93.3Very high49 Ų4956.6 Ų56.624%0.24130%0.302CS..Hα-helixtrans-70.1-37.1176-175.960.766.100111.8W174 L223 G224 H225 L229 L230 C231W174-M227 HydrophobicContact CH2-CB 3.91Å; W174-M227 HydrophobicContact CH2-CG 3.8Å; W174-M227 HydrophobicContact CZ3-CG 4.01Å; L223-M227 HydrophobicContact CB-CB 4.21Å; L223-M227 HydrophobicContact CB-CG 4.38Å; L223-M227 HydrophobicContact CD1-CG 4.06Å; L223-M227 HydrophobicContact CD2-CB 4.23Å; L223-M227 HydrophobicContact CD2-CE 3.74Å; L223-M227 HydrophobicContact CD2-CG 3.92Å; L223-M227 HydrophobicContact CG-CG 4.33Å; G224-M227 PolarHBondContact O-N 3.09Å; G224-M227 VanDerWaalsContact O-N 3.14Å; H225-M227 PolarHBondContact O-N 2.83Å; H225-M227 VanDerWaalsContact O-N 3.15Å; M227-L229 VanDerWaalsContact C-N 3.34Å; M227-L230 PolarHBondContact O-N 2.84Å; M227-L230 HydrophobicContact SD-CD2 3.98Å; M227-C231 PolarHBondContact O-N 3.27Å; M227-C231 VanDerWaalsContact O-N 3.16Å; M227-C231 PolarHBondContact O-SG 3.01Å
228F97.8Very high94.1Very high0 Ų058.8 Ų58.80%031%0.31CS..Hα-helixtrans-63.1-42.8172.3174.5-92.9000111.1P171 W174 N177 L178 I181 H225 L230 C231 L232P171-F228 HydrophobicContact CG-CD2 3.88Å; P171-F228 HydrophobicContact CG-CE1 4.33Å; P171-F228 HydrophobicContact CG-CE2 3.48Å; P171-F228 VanDerWaalsContact CG-CE2 3.48Å; P171-F228 HydrophobicContact CG-CG 4.46Å; P171-F228 HydrophobicContact CG-CZ 3.74Å; W174-F228 HydrophobicContact CB-CD2 4.32Å; W174-F228 HydrophobicContact CB-CE2 4.4Å; W174-F228 HydrophobicContact CD2-CB 4.37Å; W174-F228 AromaticContact CD2-CD2 3.69Å; W174-F228 HydrophobicContact CD2-CD2 3.69Å; W174-F228 AromaticContact CE2-CD2 3.93Å; W174-F228 HydrophobicContact CE3-CB 4.38Å; W174-F228 HydrophobicContact CE3-CD2 4.06Å; W174-F228 AromaticContact CG-CD2 3.79Å; W174-F228 HydrophobicContact CG-CD2 3.79Å; W174-F228 HydrophobicContact CG-CE2 4.27Å; W174-F228 HydrophobicContact CH2-CB 3.86Å; W174-F228 HydrophobicContact CZ2-CB 3.81Å; W174-F228 HydrophobicContact CZ3-CB 4.14Å; N177-F228 HydrophobicContact CB-CE2 3.89Å; N177-F228 HydrophobicContact CB-CZ 3.87Å; L178-F228 HydrophobicContact CD2-CD2 4.22Å; L178-F228 HydrophobicContact CD2-CE2 3.74Å; L178-F228 HydrophobicContact CD2-CZ 3.92Å; L178-F228 HydrophobicContact CG-CD2 4.39Å; L178-F228 HydrophobicContact CG-CE2 3.75Å; L178-F228 HydrophobicContact CG-CZ 4.24Å; I181-F228 HydrophobicContact CD1-CE1 4.14Å; I181-F228 HydrophobicContact CD1-CZ 3.89Å; H225-F228 AromaticContact CE1-CD1 3.62Å; H225-F228 AromaticContact ND1-CD1 3.87Å; H225-F228 WeakPolarHBondContact O-CA 3.37Å; H225-F228 VanDerWaalsContact O-CB 3.32Å; H225-F228 WeakPolarHBondContact O-CB 3.48Å; H225-F228 PolarHBondContact O-N 2.97Å; F228-L230 PolarHBondContact O-N 3.47Å; F228-C231 WeakPolarHBondContact O-CB 3.39Å; F228-C231 PolarHBondContact O-N 3.44Å; F228-L232 PolarHBondContact O-N 3.17Å
229L97.8Very high94.7Very high1 Ų161.1 Ų61.11%0.00532%0.316CS..Hα-helixtrans-61.1-43.5176-61.1-179000111.7L167 A207 M210 H225 G226 M227 C231 L232 E233 Y246L167-L229 HydrophobicContact CD1-CD2 3.37Å; A207-L229 HydrophobicContact CB-CD1 3.99Å; A207-L229 HydrophobicContact CB-CD2 4.42Å; M210-L229 HydrophobicContact CE-CD1 3.87Å; M210-L229 HydrophobicContact SD-CD1 3.29Å; M210-L229 WeakPolarHBondContact SD-CD1 3.45Å; H225-L229 WeakPolarHBondContact O-CG 3.49Å; H225-L229 PolarHBondContact O-N 3.4Å; G226-L229 PolarHBondContact O-N 2.91Å; M227-L229 VanDerWaalsContact C-N 3.34Å; L229-C231 VanDerWaalsContact C-N 3.3Å; L229-C231 PolarHBondContact O-N 3.38Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 3.1Å; L229-L232 VanDerWaalsContact O-N 3.09Å; L229-E233 WeakPolarHBondContact O-CB 3.46Å; L229-E233 VanDerWaalsContact O-CG 3.28Å; L229-E233 WeakPolarHBondContact O-CG 3.34Å; L229-E233 PolarHBondContact O-N 3.3Å; L229-Y246 HydrophobicContact CD2-CE1 4.28Å
230L98Very high95.2Very high79 Ų7955.8 Ų55.841%0.41428%0.281SS..Hα-helixtrans-58.2-41.4175.7-17866.2000112.3G226 M227 F228 S234G226-L230 PolarHBondContact O-N 3.29Å; M227-L230 PolarHBondContact O-N 2.84Å; M227-L230 HydrophobicContact SD-CD2 3.98Å; F228-L230 PolarHBondContact O-N 3.47Å; L230-S234 VanDerWaalsContact O-CB 3.3Å; L230-S234 WeakPolarHBondContact O-CB 3.45Å; L230-S234 PolarHBondContact O-N 3.44Å; L230-S234 PolarHBondContact O-OG 3.21Å
231C98.1Very high95.6Very high42 Ų4255.4 Ų55.428%0.28429%0.289SS..Hα-helixtrans-63-46.5174-680000111.4L178 M227 F228 L229 S234 I235L178-C231 HydrophobicContact CD1-CB 4.01Å; L178-C231 HydrophobicContact CD2-CB 4.11Å; M227-C231 PolarHBondContact O-N 3.27Å; M227-C231 VanDerWaalsContact O-N 3.16Å; M227-C231 PolarHBondContact O-SG 3.01Å; F228-C231 WeakPolarHBondContact O-CB 3.39Å; F228-C231 PolarHBondContact O-N 3.44Å; L229-C231 VanDerWaalsContact C-N 3.3Å; L229-C231 PolarHBondContact O-N 3.38Å; C231-S234 PolarHBondContact O-N 2.89Å; C231-I235 VanDerWaalsContact O-CG1 3.31Å; C231-I235 WeakPolarHBondContact O-CG1 3.33Å; C231-I235 PolarHBondContact O-N 3.1Å
232L98.4Very high96Very high0 Ų058.2 Ų58.20%029%0.293CS..Hα-helixtrans-61.2-48.3179.3-179.962.5000112L167 L178 I181 V182 F228 L229 S234 I235 Y236 L244L167-L232 HydrophobicContact CD1-CD2 4.07Å; L178-L232 HydrophobicContact CD2-CB 3.69Å; L178-L232 HydrophobicContact CD2-CD1 4.16Å; I181-L232 HydrophobicContact CB-CD1 4.25Å; I181-L232 HydrophobicContact CG2-CD1 3.67Å; I181-L232 HydrophobicContact CG2-CD2 3.81Å; I181-L232 HydrophobicContact CG2-CG 4.39Å; V182-L232 HydrophobicContact CG2-CD1 3.81Å; F228-L232 PolarHBondContact O-N 3.17Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 3.1Å; L229-L232 VanDerWaalsContact O-N 3.09Å; L232-S234 VanDerWaalsContact C-N 3.29Å; L232-S234 PolarHBondContact O-N 2.63Å; L232-I235 PolarHBondContact O-N 2.92Å; L232-Y236 WeakPolarHBondContact O-CB 3.35Å; L232-Y236 PolarHBondContact O-N 2.97Å; L232-L244 HydrophobicContact CD2-CD2 3.83Å; L232-L244 HydrophobicContact CG-CD2 3.87Å
233E98.4Very high96.3Very high60 Ų6062.3 Ų62.328%0.2831%0.308SS..Hα-helixtrans-56.8-44175.6-72172.7-169.900111.5L229 R237 L244 Y246L229-E233 WeakPolarHBondContact O-CB 3.46Å; L229-E233 VanDerWaalsContact O-CG 3.28Å; L229-E233 WeakPolarHBondContact O-CG 3.34Å; L229-E233 PolarHBondContact O-N 3.3Å; E233-R237 VanDerWaalsContact O-CB 3.26Å; E233-R237 WeakPolarHBondContact O-CB 3.32Å; E233-R237 PolarHBondContact O-N 3.26Å; E233-L244 HydrophobicContact CG-CB 4.22Å; E233-L244 HydrophobicContact CG-CD2 4.18Å; E233-Y246 HydrophobicContact CG-CE2 4.41Å; E233-Y246 WeakPolarHBondContact OE1-CE2 3.34Å; E233-Y246 PolarHBondContact OE1-OH 3.05Å
234S98.4Very high96.5Very high66 Ų6658.4 Ų58.446%0.46229%0.288SS..Hα-helixtrans-65.3-44.4-179.3-63.90000111.9L230 C231 L232 K238L230-S234 VanDerWaalsContact O-CB 3.3Å; L230-S234 WeakPolarHBondContact O-CB 3.45Å; L230-S234 PolarHBondContact O-N 3.44Å; L230-S234 PolarHBondContact O-OG 3.21Å; C231-S234 PolarHBondContact O-N 2.89Å; L232-S234 VanDerWaalsContact C-N 3.29Å; L232-S234 PolarHBondContact O-N 2.63Å; S234-K238 WeakPolarHBondContact O-CB 3.24Å; S234-K238 PolarHBondContact O-N 3.37Å
235I97.7Very high96.7Very high63 Ų6365 Ų6532%0.32332%0.318SS..Hα-helixtrans-64.4-50.1176.7-66.5164.4000110L178 V182 C231 L232 R237 K238 L239L178-I235 HydrophobicContact CB-CD1 4.02Å; L178-I235 HydrophobicContact CD1-CD1 3.96Å; L178-I235 HydrophobicContact CD2-CD1 4.22Å; L178-I235 HydrophobicContact CG-CD1 4.29Å; V182-I235 HydrophobicContact CG2-CG2 3.8Å; C231-I235 VanDerWaalsContact O-CG1 3.31Å; C231-I235 WeakPolarHBondContact O-CG1 3.33Å; C231-I235 PolarHBondContact O-N 3.1Å; L232-I235 PolarHBondContact O-N 2.92Å; I235-R237 VanDerWaalsContact C-N 3.31Å; I235-R237 PolarHBondContact O-N 2.88Å; I235-K238 PolarHBondContact O-N 3.04Å; I235-K238 VanDerWaalsContact O-N 3.11Å; I235-L239 HydrophobicContact CG2-CD1 3.79Å; I235-L239 HydrophobicContact CG2-CG 4.39Å; I235-L239 WeakPolarHBondContact O-CG 3.32Å; I235-L239 PolarHBondContact O-N 3.1Å
236Y97.2Very high96.8Very high17 Ų1767.1 Ų67.17%0.06733%0.327CS..Hα-helixtrans-57-45.8179.7-174.8-96.3000111.4L185 L186 L232 K238 L239 T240 R242 L244L185-Y236 HydrophobicContact CB-CD2 4.42Å; L185-Y236 HydrophobicContact CB-CE2 4.12Å; L185-Y236 HydrophobicContact CD1-CD2 3.99Å; L185-Y236 HydrophobicContact CD1-CE2 4.28Å; L186-Y236 HydrophobicContact CD2-CD2 4.46Å; L186-Y236 HydrophobicContact CD2-CE2 4.02Å; L232-Y236 WeakPolarHBondContact O-CB 3.35Å; L232-Y236 PolarHBondContact O-N 2.97Å; Y236-K238 PolarHBondContact O-N 3.41Å; Y236-L239 PolarHBondContact O-N 3.26Å; Y236-T240 HydrophobicContact CD2-CG2 4.17Å; Y236-T240 HydrophobicContact CE1-CG2 4.24Å; Y236-T240 HydrophobicContact CE2-CG2 3.86Å; Y236-T240 HydrophobicContact CG-CG2 4.49Å; Y236-T240 WeakPolarHBondContact O-CB 3.4Å; Y236-T240 WeakPolarHBondContact O-CG2 3.49Å; Y236-T240 PolarHBondContact O-N 2.45Å; Y236-T240 PolarHBondContact O-OG1 2.98Å; Y236-R242 HydrophobicContact CE1-CB 4.31Å; Y236-L244 HydrophobicContact CD1-CB 3.79Å; Y236-L244 HydrophobicContact CD1-CD1 4.06Å; Y236-L244 HydrophobicContact CD2-CD1 4.06Å; Y236-L244 HydrophobicContact CE1-CB 4.42Å; Y236-L244 HydrophobicContact CE1-CD1 4.3Å; Y236-L244 HydrophobicContact CE2-CD1 4.32Å; Y236-L244 HydrophobicContact CG-CB 4.16Å; Y236-L244 HydrophobicContact CG-CD1 3.92Å
237R97Very high96.9Very high164 Ų16472.6 Ų72.662%0.61935%0.351SS*.Hα-helixtrans-64-39.5176.6-175.1179-179.6-174.90.2112.8E233 I235 L239 G241 R242E233-R237 VanDerWaalsContact O-CB 3.26Å; E233-R237 WeakPolarHBondContact O-CB 3.32Å; E233-R237 PolarHBondContact O-N 3.26Å; I235-R237 VanDerWaalsContact C-N 3.31Å; I235-R237 PolarHBondContact O-N 2.88Å; R237-L239 VanDerWaalsContact C-N 3.32Å; R237-L239 PolarHBondContact O-N 3.25Å; R237-G241 WeakPolarHBondContact O-CA 3.17Å; R237-G241 PolarHBondContact O-N 3.42Å; R237-R242 WeakPolarHBondContact CA-O 3.26Å; R237-R242 WeakPolarHBondContact CB-O 3.37Å
238K97Very high96.9Very high186 Ų18671.1 Ų71.181%0.80935%0.346SS*.Hα-helixtrans-66.2-36179.1-172.862.1174.7-176.80112.2S234 I235 Y236S234-K238 WeakPolarHBondContact O-CB 3.24Å; S234-K238 PolarHBondContact O-N 3.37Å; I235-K238 PolarHBondContact O-N 3.04Å; I235-K238 VanDerWaalsContact O-N 3.11Å; Y236-K238 PolarHBondContact O-N 3.41Å
239L94.8Very high96.7Very high86 Ų8673.7 Ų73.745%0.4536%0.362SS..Hα-helixtrans-82.1-36-178.8-66.6175.1000113.4V182 L186 I235 Y236 R237V182-L239 HydrophobicContact CG1-CD1 3.54Å; L186-L239 HydrophobicContact CD1-CB 4.43Å; L186-L239 HydrophobicContact CD1-CD1 4.06Å; I235-L239 HydrophobicContact CG2-CD1 3.79Å; I235-L239 HydrophobicContact CG2-CG 4.39Å; I235-L239 WeakPolarHBondContact O-CG 3.32Å; I235-L239 PolarHBondContact O-N 3.1Å; Y236-L239 PolarHBondContact O-N 3.26Å; R237-L239 VanDerWaalsContact C-N 3.32Å; R237-L239 PolarHBondContact O-N 3.25Å
240T94.6Very high96.6Very high22 Ų2273.7 Ų73.714%0.13536%0.362CS..Hα-helixtrans-106.4-19.2-172.566.50000114.3L186 Y236 R242L186-T240 HydrophobicContact CD2-CG2 3.37Å; Y236-T240 HydrophobicContact CD2-CG2 4.17Å; Y236-T240 HydrophobicContact CE1-CG2 4.24Å; Y236-T240 HydrophobicContact CE2-CG2 3.86Å; Y236-T240 HydrophobicContact CG-CG2 4.49Å; Y236-T240 WeakPolarHBondContact O-CB 3.4Å; Y236-T240 WeakPolarHBondContact O-CG2 3.49Å; Y236-T240 PolarHBondContact O-N 2.45Å; Y236-T240 PolarHBondContact O-OG1 2.98Å; T240-R242 PolarHBondContact O-N 2.99Å; T240-R242 PolarHBondContact OG1-N 2.96Å
241G94.6Very high96.3Very high64 Ų6470 Ų7066%0.6634%0.342SS*.SBendtrans74.30.6-167.300000114.5R237R237-G241 WeakPolarHBondContact O-CA 3.17Å; R237-G241 PolarHBondContact O-N 3.42Å
242R94.3Very high95.9Very high110 Ų11068.5 Ų68.542%0.41533%0.331SS..SBendtrans-110.3157.4-175.3-56.9-179.7-170.8179.74.1111.6L199 Y236 R237 T240L199-R242 PolarHBondContact O-NH1 2.85Å; Y236-R242 HydrophobicContact CE1-CB 4.31Å; R237-R242 WeakPolarHBondContact CA-O 3.26Å; R237-R242 WeakPolarHBondContact CB-O 3.37Å; T240-R242 PolarHBondContact O-N 2.99Å; T240-R242 PolarHBondContact OG1-N 2.96Å
243R96.1Very high95.4Very high199 Ų19973.6 Ų73.675%0.75136%0.364SS*.PPolyproline II helixtrans-76.9142.5170.8-64.8-179.267.5-174.3-0.3108.8
244L97.2Very high95.1Very high13 Ų1372 Ų727%0.06836%0.36CS..PPolyproline II helixtrans-71.5128.7168.3-176.573.5000108.2L185 L232 E233 Y236 Y246L185-L244 HydrophobicContact CD1-CD1 3.69Å; L185-L244 HydrophobicContact CD2-CD1 4.4Å; L232-L244 HydrophobicContact CD2-CD2 3.83Å; L232-L244 HydrophobicContact CG-CD2 3.87Å; E233-L244 HydrophobicContact CG-CB 4.22Å; E233-L244 HydrophobicContact CG-CD2 4.18Å; Y236-L244 HydrophobicContact CD1-CB 3.79Å; Y236-L244 HydrophobicContact CD1-CD1 4.06Å; Y236-L244 HydrophobicContact CD2-CD1 4.06Å; Y236-L244 HydrophobicContact CE1-CB 4.42Å; Y236-L244 HydrophobicContact CE1-CD1 4.3Å; Y236-L244 HydrophobicContact CE2-CD1 4.32Å; Y236-L244 HydrophobicContact CG-CB 4.16Å; Y236-L244 HydrophobicContact CG-CD1 3.92Å; L244-Y246 HydrophobicContact CD2-CE1 4.2Å
245E96.7Very high94.7Very high138 Ų13874.7 Ų74.765%0.64537%0.369SS*.PPolyproline II helixtrans-103138.8178.7-66-178.7176.500110.6Q202Q202-E245 PolarHBondContact NE2-O 3.48Å
246Y97.1Very high94.4Very high46 Ų4674.8 Ų74.818%0.1837%0.367CS..PPolyproline II helixtrans-102.2129.8173.8-63.8-78.5000109L167 V205 A207 L229 E233 L244 A248 V249L167-Y246 HydrophobicContact CD1-CE1 4.39Å; V205-Y246 HydrophobicContact CB-CD1 4.07Å; V205-Y246 HydrophobicContact CB-CE1 4.47Å; V205-Y246 HydrophobicContact CG1-CD1 3.76Å; V205-Y246 HydrophobicContact CG1-CE1 3.79Å; A207-Y246 HydrophobicContact CB-CD1 3.68Å; A207-Y246 HydrophobicContact CB-CE1 3.76Å; A207-Y246 HydrophobicContact CB-CG 4.44Å; L229-Y246 HydrophobicContact CD2-CE1 4.28Å; E233-Y246 HydrophobicContact CG-CE2 4.41Å; E233-Y246 WeakPolarHBondContact OE1-CE2 3.34Å; E233-Y246 PolarHBondContact OE1-OH 3.05Å; L244-Y246 HydrophobicContact CD2-CE1 4.2Å; Y246-A248 VanDerWaalsContact C-N 3.32Å; Y246-V249 HydrophobicContact CD2-CG2 4.25Å; Y246-V249 HydrophobicContact CG-CG2 4.04Å
247E97Very high94.2Very high120 Ų12074 Ų7456%0.56136%0.364SS*.SBendtrans-70.2-36.9173-179.576.5-144.700110.2F102 P204 V205 L206F102-E247 HydrophobicContact CE2-CG 4.32Å; F102-E247 HydrophobicContact CZ-CG 3.79Å; P204-E247 HydrophobicContact CB-CB 3.99Å; P204-E247 HydrophobicContact CB-CG 4.23Å; V205-E247 PolarHBondContact O-N 2.95Å; L206-E247 HydrophobicContact CD2-CB 3.88Å; L206-E247 HydrophobicContact CD2-CG 4.08Å
248A95.9Very high94Very high17 Ų1769.6 Ų69.614%0.1435%0.347CS..EExtended strand (participates in β ladder)trans-145141.1170.500000111.3M99 L206 A207 Y246 L250M99-A248 HydrophobicContact CE-CB 3.92Å; M99-A248 HydrophobicContact SD-CB 4.18Å; L206-A248 HydrophobicContact CD2-CB 3.73Å; A207-A248 PolarHBondContact N-O 3.38Å; Y246-A248 VanDerWaalsContact C-N 3.32Å; A248-L250 HydrophobicContact CB-CD2 4.01Å
249V94.8Very high93.9Very high54 Ų5464.9 Ų64.933%0.32733%0.329SS..EExtended strand (participates in β ladder)trans-115.8115170.2176.90000107.7M210 Y246 S254M210-V249 HydrophobicContact CG-CG1 3.16Å; M210-V249 HydrophobicContact SD-CG1 3.6Å; M210-V249 VanDerWaalsContact SD-CG1 3.6Å; M210-V249 HydrophobicContact SD-CG2 4.4Å; Y246-V249 HydrophobicContact CD2-CG2 4.25Å; Y246-V249 HydrophobicContact CG-CG2 4.04Å; V249-S254 VanDerWaalsContact O-CB 3.28Å; V249-S254 WeakPolarHBondContact O-CB 3.32Å; V249-S254 PolarHBondContact O-OG 2.98Å
250L95Very high93.9Very high1 Ų161.2 Ų61.21%0.00531%0.309CS..  trans-112.3-179.1-178-37.8176.1000110.2P95 L96 A207 C208 A248 F256P95-L250 HydrophobicContact CB-CD1 4.42Å; P95-L250 HydrophobicContact CB-CD2 4.39Å; L96-L250 HydrophobicContact CD1-CD1 4.48Å; L96-L250 HydrophobicContact CD2-CD1 3.51Å; L96-L250 HydrophobicContact CG-CD1 3.52Å; A207-L250 PolarHBondContact O-N 3.38Å; C208-L250 CarbonylContact C-O 3.32Å; C208-L250 CarbonylContact O-C 3.05Å; A248-L250 HydrophobicContact CB-CD2 4.01Å; L250-F256 HydrophobicContact CD2-CB 4.38Å; L250-F256 HydrophobicContact CD2-CD1 3.56Å; L250-F256 HydrophobicContact CD2-CE1 4.15Å; L250-F256 HydrophobicContact CD2-CG 4.28Å
251G91.3Very high94Very high1 Ų160.1 Ų60.11%0.0130%0.302CS..SBendtrans79.4160-170.100000110.9N63 C208 S254 T257N63-G251 VanDerWaalsContact OD1-CA 3.28Å; N63-G251 WeakPolarHBondContact OD1-CA 3.36Å; C208-G251 WeakPolarHBondContact O-CA 3.42Å; C208-G251 PolarHBondContact O-N 2.92Å; C208-G251 VanDerWaalsContact O-N 3.12Å; G251-S254 WeakPolarHBondContact O-CA 3.31Å; G251-S254 WeakPolarHBondContact O-CB 3.44Å; G251-S254 PolarHBondContact O-N 2.96Å; G251-T257 WeakPolarHBondContact CA-OG1 3.31Å; G251-T257 PolarHBondContact N-OG1 2.77Å; G251-T257 PolarHBondContact O-OG1 3.02Å
252K90.1Very high94Very high12 Ų1260.2 Ų60.25%0.05229%0.285CS..THydrogen-bonded Turntrans-58.9142.2172.8-55.8167.7-70.41570108.8D25 V61 N63 Y258D25-K252 IonicContact OD1-NZ 2.65Å; D25-K252 PolarHBondContact OD1-NZ 3.17Å; D25-K252 IonicContact OD2-NZ 3.21Å; D25-K252 PolarHBondContact OD2-NZ 3.25Å; V61-K252 HydrophobicContact CB-CD 4.34Å; V61-K252 HydrophobicContact CG1-CD 3.8Å; V61-K252 HydrophobicContact CG1-CG 3.67Å; N63-K252 PolarHBondContact ND2-O 2.93Å; N63-K252 WeakPolarHBondContact OD1-CE 3.45Å; N63-K252 PolarHBondContact OD1-N 3.48Å; K252-Y258 HydrophobicContact CG-CE2 4.38Å
253P89.1Confident94Very high106 Ų10658.8 Ų58.869%0.68828%0.283SS*.THydrogen-bonded Turncis-9221.33.637-36000114.7L255P253-L255 PolarHBondContact O-N 3.14Å
254S90.8Very high93.9Very high28 Ų2849.7 Ų49.720%0.19625%0.249CC..  trans-56133-175.9-177.60000113V249 G251 F256 T257 Y258V249-S254 VanDerWaalsContact O-CB 3.28Å; V249-S254 WeakPolarHBondContact O-CB 3.32Å; V249-S254 PolarHBondContact O-OG 2.98Å; G251-S254 WeakPolarHBondContact O-CA 3.31Å; G251-S254 WeakPolarHBondContact O-CB 3.44Å; G251-S254 PolarHBondContact O-N 2.96Å; S254-F256 PolarHBondContact O-N 3.39Å; S254-F256 PolarHBondContact OG-N 2.73Å; S254-T257 WeakPolarHBondContact O-CB 3.21Å; S254-T257 PolarHBondContact O-N 3.43Å; S254-T257 VanDerWaalsContact O-N 3.11Å; S254-Y258 WeakPolarHBondContact O-CD2 3.19Å; S254-Y258 PolarHBondContact O-N 2.8Å
255L90.4Very high93.8Very high122 Ų12249 Ų4964%0.63925%0.246SC*.Hα-helixtrans-54.7-37.8175.1177.361.1000111.5P253 T257 Y258 Q259P253-L255 PolarHBondContact O-N 3.14Å; L255-T257 VanDerWaalsContact C-N 3.29Å; L255-T257 PolarHBondContact O-N 3.33Å; L255-Y258 PolarHBondContact O-N 3.46Å; L255-Y258 VanDerWaalsContact O-N 3.13Å; L255-Q259 HydrophobicContact CD1-CG 4.18Å; L255-Q259 HydrophobicContact CG-CG 4.2Å; L255-Q259 WeakPolarHBondContact O-CG 3.13Å; L255-Q259 PolarHBondContact O-N 2.87Å
256F91.8Very high93.6Very high64 Ų6447.2 Ų47.228%0.28123%0.233SC..Hα-helixtrans-64.8-34.7-177.7-161.2-101.1000112.1P95 M98 M99 L250 S254 Y260P95-F256 HydrophobicContact CB-CD1 3.36Å; P95-F256 HydrophobicContact CB-CE1 3.55Å; P95-F256 HydrophobicContact CG-CD1 4.41Å; P95-F256 WeakPolarHBondContact O-CE1 3.11Å; M98-F256 HydrophobicContact CB-CZ 4.1Å; M98-F256 HydrophobicContact CE-CD1 4Å; M98-F256 HydrophobicContact CE-CD2 4.42Å; M98-F256 HydrophobicContact CE-CE1 3.54Å; M98-F256 HydrophobicContact CE-CE2 3.99Å; M98-F256 HydrophobicContact CE-CG 4.44Å; M98-F256 HydrophobicContact CE-CZ 3.54Å; M99-F256 HydrophobicContact CG-CE1 4.18Å; M99-F256 HydrophobicContact CG-CZ 4.1Å; M99-F256 HydrophobicContact SD-CE1 4.45Å; L250-F256 HydrophobicContact CD2-CB 4.38Å; L250-F256 HydrophobicContact CD2-CD1 3.56Å; L250-F256 HydrophobicContact CD2-CE1 4.15Å; L250-F256 HydrophobicContact CD2-CG 4.28Å; S254-F256 PolarHBondContact O-N 3.39Å; S254-F256 PolarHBondContact OG-N 2.73Å; F256-Y260 PolarHBondContact O-N 3.35Å
257T93.8Very high93.3Very high1 Ų149.6 Ų49.61%0.00625%0.246CC..Hα-helixtrans-65.4-42.5172.7-66.70000111.7V61 V90 G251 S254 L255 Y260 A261V61-T257 HydrophobicContact CG1-CG2 3.84Å; V90-T257 HydrophobicContact CG1-CG2 3.98Å; G251-T257 WeakPolarHBondContact CA-OG1 3.31Å; G251-T257 PolarHBondContact N-OG1 2.77Å; G251-T257 PolarHBondContact O-OG1 3.02Å; S254-T257 WeakPolarHBondContact O-CB 3.21Å; S254-T257 PolarHBondContact O-N 3.43Å; S254-T257 VanDerWaalsContact O-N 3.11Å; L255-T257 VanDerWaalsContact C-N 3.29Å; L255-T257 PolarHBondContact O-N 3.33Å; T257-Y260 PolarHBondContact O-N 3.04Å; T257-A261 WeakPolarHBondContact O-CB 3.24Å; T257-A261 PolarHBondContact O-N 3.36Å
258Y92.8Very high93Very high71 Ų7147.2 Ų47.228%0.27824%0.235SC..Hα-helixtrans-71.7-33.8178.3-77.7-80000112.9L23 K252 S254 L255 A261 E262L23-Y258 HydrophobicContact CD1-CD1 3.66Å; L23-Y258 HydrophobicContact CD1-CE1 4.07Å; K252-Y258 HydrophobicContact CG-CE2 4.38Å; S254-Y258 WeakPolarHBondContact O-CD2 3.19Å; S254-Y258 PolarHBondContact O-N 2.8Å; L255-Y258 PolarHBondContact O-N 3.46Å; L255-Y258 VanDerWaalsContact O-N 3.13Å; Y258-A261 PolarHBondContact O-N 3.46Å; Y258-E262 WeakPolarHBondContact O-CB 3.33Å; Y258-E262 PolarHBondContact O-N 2.85Å
259Q93.7Very high92.4Very high88 Ų8847.2 Ų47.241%0.41123%0.233SC..Hα-helixtrans-62.7-43.5171.6-74.4173.9-29.200111.5L255 E262 Q263L255-Q259 HydrophobicContact CD1-CG 4.18Å; L255-Q259 HydrophobicContact CG-CG 4.2Å; L255-Q259 WeakPolarHBondContact O-CG 3.13Å; L255-Q259 PolarHBondContact O-N 2.87Å; Q259-E262 PolarHBondContact O-N 3.05Å; Q259-Q263 PolarHBondContact O-N 2.85Å
260Y95.8Very high91.4Very high8 Ų852.4 Ų52.43%0.03125%0.253CS..Hα-helixtrans-61.9-44.9173.6-173.4-106.6000111.8R69 V90 P95 H97 M98 F256 T257 E262 Q263 L264R69-Y260 PolarHBondContact NH1-OH 3.48Å; R69-Y260 PolarHBondContact NH2-OH 3.12Å; V90-Y260 HydrophobicContact CG1-CD1 4.08Å; V90-Y260 HydrophobicContact CG2-CD1 3.91Å; V90-Y260 HydrophobicContact CG2-CE1 4.2Å; P95-Y260 HydrophobicContact CB-CG 4.43Å; P95-Y260 HydrophobicContact CG-CD1 4.5Å; P95-Y260 HydrophobicContact CG-CG 4.4Å; H97-Y260 HydrophobicContact CB-CE2 4.38Å; M98-Y260 HydrophobicContact CE-CD2 3.84Å; M98-Y260 HydrophobicContact CE-CG 4.24Å; M98-Y260 HydrophobicContact CG-CD2 3.81Å; M98-Y260 HydrophobicContact CG-CE2 4.17Å; M98-Y260 HydrophobicContact SD-CD2 3.68Å; F256-Y260 PolarHBondContact O-N 3.35Å; T257-Y260 PolarHBondContact O-N 3.04Å; Y260-E262 VanDerWaalsContact C-N 3.33Å; Y260-E262 PolarHBondContact O-N 2.9Å; Y260-Q263 WeakPolarHBondContact O-CB 3.38Å; Y260-Q263 PolarHBondContact O-N 2.92Å; Y260-L264 HydrophobicContact CD1-CD1 4.14Å; Y260-L264 HydrophobicContact CD1-CG 4.5Å; Y260-L264 HydrophobicContact CE1-CD1 3.68Å; Y260-L264 HydrophobicContact CE1-CD2 4.47Å; Y260-L264 HydrophobicContact CE1-CG 4.15Å; Y260-L264 PolarHBondContact O-N 2.87Å; Y260-L264 VanDerWaalsContact O-N 3.11Å
261A95.9Very high90.5Very high0 Ų059.3 Ų59.30%029%0.29CS..Hα-helixtrans-62.2-39.7177.500000112.4L23 V59 V61 V90 T257 Y258 L264 L265L23-A261 HydrophobicContact CD1-CB 4.13Å; L23-A261 HydrophobicContact CD2-CB 3.83Å; V59-A261 HydrophobicContact CG1-CB 4.16Å; V61-A261 HydrophobicContact CG2-CB 4.09Å; V90-A261 HydrophobicContact CG2-CB 4.04Å; T257-A261 WeakPolarHBondContact O-CB 3.24Å; T257-A261 PolarHBondContact O-N 3.36Å; Y258-A261 PolarHBondContact O-N 3.46Å; A261-L264 PolarHBondContact O-N 3.17Å; A261-L265 PolarHBondContact O-N 3.47Å
262E93.9Very high89.8Confident65 Ų6562.2 Ų62.230%0.30430%0.304SS..Hα-helixtrans-62.2-42.7173.6177.3179.2-179.800111.8Y258 Q259 Y260 L264 L265 R266 I277Y258-E262 WeakPolarHBondContact O-CB 3.33Å; Y258-E262 PolarHBondContact O-N 2.85Å; Q259-E262 PolarHBondContact O-N 3.05Å; Y260-E262 VanDerWaalsContact C-N 3.33Å; Y260-E262 PolarHBondContact O-N 2.9Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 3.32Å; E262-L265 WeakPolarHBondContact O-CB 3.37Å; E262-L265 PolarHBondContact O-N 3.22Å; E262-R266 HydrophobicContact CG-CG 4.49Å; E262-R266 WeakPolarHBondContact O-CG 3.34Å; E262-R266 PolarHBondContact O-N 2.89Å; E262-R266 IonicContact OE1-CZ 2.95Å; E262-R266 IonicContact OE1-NE 3.9Å; E262-R266 PolarHBondContact OE1-NE 3.21Å; E262-R266 IonicContact OE1-NH2 3.55Å; E262-R266 PolarHBondContact OE1-NH2 3.22Å; E262-I277 HydrophobicContact CB-CD1 4.28Å; E262-I277 HydrophobicContact CG-CD1 3.73Å
263Q94Very high89.4Confident81 Ų8169.9 Ų69.938%0.37934%0.337SS..Hα-helixtrans-58.6-43.1175.8-179.4178.3-2300111.4M98 Q259 Y260 R266 Q267M98-Q263 PolarHBondContact SD-OE1 3.31Å; Q259-Q263 PolarHBondContact O-N 2.85Å; Y260-Q263 WeakPolarHBondContact O-CB 3.38Å; Y260-Q263 PolarHBondContact O-N 2.92Å; Q263-R266 PolarHBondContact O-N 3.39Å; Q263-Q267 WeakPolarHBondContact O-CG 3.41Å; Q263-Q267 PolarHBondContact O-N 3.24Å
264L95.3Very high89.3Confident7 Ų765.2 Ų65.24%0.03731%0.306CS..Hα-helixtrans-63.8-42.3176-64-178.9000112.1V59 V90 Y260 A261 E262 R266 Q267 Q268V59-L264 HydrophobicContact CG2-CB 3.88Å; V90-L264 HydrophobicContact CG2-CD1 3.5Å; Y260-L264 HydrophobicContact CD1-CD1 4.14Å; Y260-L264 HydrophobicContact CD1-CG 4.5Å; Y260-L264 HydrophobicContact CE1-CD1 3.68Å; Y260-L264 HydrophobicContact CE1-CD2 4.47Å; Y260-L264 HydrophobicContact CE1-CG 4.15Å; Y260-L264 PolarHBondContact O-N 2.87Å; Y260-L264 VanDerWaalsContact O-N 3.11Å; A261-L264 PolarHBondContact O-N 3.17Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 3.32Å; L264-R266 VanDerWaalsContact C-N 3.29Å; L264-R266 PolarHBondContact O-N 2.95Å; L264-Q267 PolarHBondContact O-N 3.1Å; L264-Q268 WeakPolarHBondContact O-CG 3.41Å; L264-Q268 PolarHBondContact O-N 2.8Å; L264-Q268 VanDerWaalsContact O-N 3.1Å
265L94.6Very high89.2Confident0 Ų067.6 Ų67.60%032%0.323CS..Hα-helixtrans-59-41.5174.2-74.1176000111.8L23 P57 V59 A261 E262 Q268 L274 I277L23-L265 HydrophobicContact CD2-CD1 3.41Å; L23-L265 VanDerWaalsContact CD2-CD1 3.41Å; L23-L265 HydrophobicContact CD2-CD2 4.3Å; L23-L265 HydrophobicContact CD2-CG 3.83Å; L23-L265 HydrophobicContact CG-CD1 3.88Å; P57-L265 VanDerWaalsContact C-CD2 3.47Å; P57-L265 HydrophobicContact CB-CB 4.41Å; P57-L265 HydrophobicContact CB-CD2 3.67Å; P57-L265 WeakPolarHBondContact O-CD2 3.46Å; V59-L265 HydrophobicContact CB-CD2 4.14Å; V59-L265 HydrophobicContact CB-CG 4.32Å; V59-L265 HydrophobicContact CG2-CD2 3.72Å; V59-L265 HydrophobicContact CG2-CG 3.85Å; A261-L265 PolarHBondContact O-N 3.47Å; E262-L265 WeakPolarHBondContact O-CB 3.37Å; E262-L265 PolarHBondContact O-N 3.22Å; L265-Q268 PolarHBondContact O-N 3.11Å; L265-L274 HydrophobicContact CB-CD1 3.65Å; L265-I277 HydrophobicContact CD1-CD1 4.05Å; L265-I277 HydrophobicContact CD1-CG1 4.22Å; L265-I277 HydrophobicContact CD1-CG2 3.85Å
266R91.8Very high89.2Confident99 Ų9964.5 Ų64.537%0.37431%0.309SS..Hα-helixtrans-66.8-38177.8-69.9178-179.4-69.8-3111.7E262 Q263 L264 Q268 N269 Q270 L274E262-R266 HydrophobicContact CG-CG 4.49Å; E262-R266 WeakPolarHBondContact O-CG 3.34Å; E262-R266 PolarHBondContact O-N 2.89Å; E262-R266 IonicContact OE1-CZ 2.95Å; E262-R266 IonicContact OE1-NE 3.9Å; E262-R266 PolarHBondContact OE1-NE 3.21Å; E262-R266 IonicContact OE1-NH2 3.55Å; E262-R266 PolarHBondContact OE1-NH2 3.22Å; Q263-R266 PolarHBondContact O-N 3.39Å; L264-R266 VanDerWaalsContact C-N 3.29Å; L264-R266 PolarHBondContact O-N 2.95Å; R266-Q268 VanDerWaalsContact C-N 3.3Å; R266-Q268 PolarHBondContact O-N 2.94Å; R266-N269 CarbonylContact O-C 3.59Å; R266-N269 VanDerWaalsContact O-C 3.3Å; R266-N269 PolarHBondContact O-N 3.13Å; R266-Q270 PolarHBondContact O-N 2.8Å; R266-L274 HydrophobicContact CG-CD1 4.02Å
267Q91.9Very high89.3Confident96 Ų9664.3 Ų64.345%0.44931%0.31SS..Hα-helixtrans-65.5-31.4176.2-74173.8-4.700113Q263 L264 N269 Q270Q263-Q267 WeakPolarHBondContact O-CG 3.41Å; Q263-Q267 PolarHBondContact O-N 3.24Å; L264-Q267 PolarHBondContact O-N 3.1Å; Q267-N269 PolarHBondContact O-N 2.99Å; Q267-Q270 WeakPolarHBondContact O-CG 3.14Å
268Q89.9Confident89.3Confident70 Ų7070.8 Ų70.833%0.32734%0.336SS..THydrogen-bonded Turntrans-69.7-14.2173.1-67.2175.233.200113P57 V58 L264 L265 R266P57-Q268 HydrophobicContact CB-CB 4.08Å; P57-Q268 HydrophobicContact CG-CB 4.31Å; V58-Q268 VanDerWaalsContact N-OE1 3.11Å; V58-Q268 PolarHBondContact O-NE2 2.9Å; V58-Q268 PolarHBondContact O-OE1 2.91Å; L264-Q268 WeakPolarHBondContact O-CG 3.41Å; L264-Q268 PolarHBondContact O-N 2.8Å; L264-Q268 VanDerWaalsContact O-N 3.1Å; L265-Q268 PolarHBondContact O-N 3.11Å; R266-Q268 VanDerWaalsContact C-N 3.3Å; R266-Q268 PolarHBondContact O-N 2.94Å
269N84Confident89.3Confident17 Ų1770.6 Ų70.69%0.09135%0.349CS..THydrogen-bonded Turntrans-140.348.8-171.3-164.220.1000113R18 P57 R266 Q267 N271 H272R18-N269 PolarHBondContact O-ND2 3.05Å; P57-N269 HydrophobicContact CG-CB 3.6Å; R266-N269 CarbonylContact O-C 3.59Å; R266-N269 VanDerWaalsContact O-C 3.3Å; R266-N269 PolarHBondContact O-N 3.13Å; Q267-N269 PolarHBondContact O-N 2.99Å; N269-N271 PolarHBondContact O-N 3.18Å; N269-H272 PolarHBondContact ND2-O 3.34Å; N269-H272 PolarHBondContact O-N 3.37Å; N269-H272 PolarHBondContact OD1-ND1 3.11Å
270Q74.6Confident89.3Confident163 Ų16369.2 Ų69.276%0.76235%0.346SS*.THydrogen-bonded Turntrans-55.1-27.1-174-61.8178.20.300114R266 Q267R266-Q270 PolarHBondContact O-N 2.8Å; Q267-Q270 WeakPolarHBondContact O-CG 3.14Å
271N75.1Confident88.9Confident146 Ų14671 Ų7178%0.78137%0.367SS*.THydrogen-bonded Turntrans-87.7-8.1-177-64.2-27.2000114.1N269N269-N271 PolarHBondContact O-N 3.18Å
272H77.8Confident87.8Confident63 Ų6377.9 Ų77.929%0.29239%0.394SS..SBendtrans-139130.8-178.6-50.983.3000111.6R18 N269 L274R18-H272 HydrophobicContact CB-CB 4.33Å; R18-H272 WeakPolarHBondContact O-CB 3.31Å; N269-H272 PolarHBondContact ND2-O 3.34Å; N269-H272 PolarHBondContact O-N 3.37Å; N269-H272 PolarHBondContact OD1-ND1 3.11Å; H272-L274 PolarHBondContact O-N 3.4Å
273K81.6Confident86.2Confident172 Ų17279.8 Ų79.875%0.74841%0.412SS*.  trans-68.9122.7174.3-173176.5179.4179.90109.7S275K273-S275 PolarHBondContact O-N 3.05Å
274L87.1Confident84.4Confident8 Ų879.6 Ų79.64%0.04241%0.411CS..  trans-64.2123.3166.6-64.5175.6000109.6Q19 P57 L265 R266 H272Q19-L274 CarbonylContact O-C 3.51Å; Q19-L274 WeakPolarHBondContact O-CA 3.47Å; P57-L274 HydrophobicContact CG-CD2 4.29Å; L265-L274 HydrophobicContact CB-CD1 3.65Å; R266-L274 HydrophobicContact CG-CD1 4.02Å; H272-L274 PolarHBondContact O-N 3.4Å
275S87.4Confident82.2Confident79 Ų7984.8 Ų84.855%0.55245%0.445SS*.  trans-98.2-29.1175.966.40000112.3Q19 K273Q19-S275 WeakPolarHBondContact CB-OG 3.49Å; Q19-S275 PolarHBondContact O-N 3.11Å; Q19-S275 PolarHBondContact O-OG 2.87Å; K273-S275 PolarHBondContact O-N 3.05Å
276T91.5Very high79.7Confident57 Ų5791.5 Ų91.535%0.3549%0.486SS..EExtended strand (participates in β ladder)trans-139.7134.1-176.8-510000110.6Q19 V20 G21 Y278Q19-T276 PolarHBondContact O-N 3.31Å; V20-T276 WeakPolarHBondContact CA-O 3.39Å; G21-T276 PolarHBondContact N-O 3.3Å; T276-Y278 HydrophobicContact CG2-CD2 4.2Å; T276-Y278 HydrophobicContact CG2-CE1 4.42Å; T276-Y278 HydrophobicContact CG2-CE2 3.66Å
277I93Very high77.2Confident59 Ų5993.5 Ų93.530%0.30352%0.515SS..EExtended strand (participates in β ladder)trans-119.9122.6172.4-61.2174.4000108.4G21 L23 E262 L265G21-I277 WeakPolarHBondContact O-CA 3.1Å; L23-I277 HydrophobicContact CD1-CG2 4.04Å; L23-I277 HydrophobicContact CG-CG2 3.9Å; E262-I277 HydrophobicContact CB-CD1 4.28Å; E262-I277 HydrophobicContact CG-CD1 3.73Å; L265-I277 HydrophobicContact CD1-CD1 4.05Å; L265-I277 HydrophobicContact CD1-CG1 4.22Å; L265-I277 HydrophobicContact CD1-CG2 3.85Å
278Y94Very high76.5Confident137 Ų13793.4 Ų93.454%0.53752%0.518SS..EExtended strand (participates in β ladder)trans-94.8120.2173-65.2-86000109.6V20 G21 V22 L23 T276V20-Y278 HydrophobicContact CG1-CD2 3.51Å; V20-Y278 HydrophobicContact CG1-CE2 3.52Å; V20-Y278 HydrophobicContact CG2-CE2 4.47Å; G21-Y278 PolarHBondContact O-N 2.79Å; V22-Y278 CarbonylContact C-O 3.53Å; V22-Y278 WeakPolarHBondContact CA-O 3.33Å; L23-Y278 PolarHBondContact N-O 2.58Å; T276-Y278 HydrophobicContact CG2-CD2 4.2Å; T276-Y278 HydrophobicContact CG2-CE1 4.42Å; T276-Y278 HydrophobicContact CG2-CE2 3.66Å
279A93.1Very high75.8Confident67 Ų6794.6 Ų94.655%0.55453%0.529SS*.EExtended strand (participates in β ladder)trans-98.4115.7171.400000109.9L23L23-A279 HydrophobicContact CB-CB 4.44Å
280V93.1Very high75.3Confident60 Ų6098.9 Ų98.936%0.36455%0.553SS.*EExtended strand (participates in β ladder)trans-99.799.5177.3-173.90000107.8V22 L23 F24 D25 V29V22-V280 HydrophobicContact CG1-CG2 4.15Å; L23-V280 PolarHBondContact O-N 2.78Å; F24-V280 HydrophobicContact CD1-CB 3.74Å; F24-V280 HydrophobicContact CD1-CG1 4.07Å; F24-V280 HydrophobicContact CD1-CG2 4.08Å; F24-V280 HydrophobicContact CE1-CB 3.93Å; F24-V280 HydrophobicContact CE1-CG1 4.14Å; F24-V280 HydrophobicContact CE1-CG2 3.78Å; F24-V280 HydrophobicContact CZ-CG2 4.49Å; D25-V280 WeakPolarHBondContact CB-O 3.37Å; D25-V280 PolarHBondContact N-O 3.25Å; V29-V280 HydrophobicContact CG1-CG1 3.92Å
281G86.7Confident75.4Confident45 Ų4595.2 Ų95.246%0.46454%0.541SS..  trans-128.6158.9-177.500000112.3
282Y72.7Confident75.4Confident144 Ų14492 Ų9257%0.56553%0.526SS*.  trans-89.7132.4164.1-172.7-96.5000107.7Q284Y282-Q284 PolarHBondContact O-N 3.18Å
283P60.6Low75.2Confident105 Ų10593.9 Ų93.968%0.68254%0.541SS*.  trans-62.8103175.623.9-30.2000109.1
284Q57.6Low74.8Confident78 Ų7888.4 Ų88.436%0.36453%0.526SS..  trans-69.9125163.2-68.4-90.6-3.400105.9Y282 V286Y282-Q284 PolarHBondContact O-N 3.18Å; Q284-V286 PolarHBondContact O-N 3.43Å; Q284-V286 VanDerWaalsContact O-N 3.11Å
285P48.2Very low73.8Confident116 Ų11694.5 Ų94.575%0.75356%0.564SS**  trans-55.4124171.921.8-29.4000107.8S287P285-S287 PolarHBondContact O-N 3.18Å
286V41.5Very low72.7Confident141 Ų14195.8 Ų95.886%0.85557%0.565SS**  trans-62.9112.3177.6-164.30000106.3Q284Q284-V286 PolarHBondContact O-N 3.43Å; Q284-V286 VanDerWaalsContact O-N 3.11Å
287S40.5Very low71Confident141 Ų14199.4 Ų99.499%0.98658%0.584SS**  trans-740174.156.80000111.2P285P285-S287 PolarHBondContact O-N 3.18Å

Retrieved 287 of 287 residues in 137.9 ms (Link to these results)