A0A0D9RXH9_CHLSB Loading...

Beta-centractin

Component of a multi-subunit complex involved in microtubule based vesicle motility. It is associated with the centrosome.

AlphaFold DB , UniProt , Accession A0A0D9RXH9, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene ACTR1B, Length 376 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.7Very low59.1Low247 Ų247118.1 Ų118.1100%1.21760%0.601SS**  0102.20-97.7172.3167.800106S3M1-S3 PolarHBondContact O-N 3.46Å
2E36.2Very low62.2Low170 Ų170108.3 Ų108.379%0.79455%0.551SS**  trans-64.8122.3-169.3-71.1165.1152.400110.1Y4E2-Y4 VanDerWaalsContact C-N 3.35Å; E2-Y4 PolarHBondContact O-N 3.38Å
3S40.4Very low65Low109 Ų10999.9 Ų99.976%0.76251%0.509SS*.  trans-63.797.716647.90000107.3M1 D5M1-S3 PolarHBondContact O-N 3.46Å; S3-D5 PolarHBondContact O-N 3.15Å
4Y46.9Very low67.3Low206 Ų20692.8 Ų92.881%0.80847%0.472SS*.  trans-55.5115.4168.3-83-90.9000107.9E2 I6E2-Y4 VanDerWaalsContact C-N 3.35Å; E2-Y4 PolarHBondContact O-N 3.38Å; Y4-I6 PolarHBondContact O-N 3.15Å
5D48.2Very low69.3Low129 Ų12986.8 Ų86.869%0.6944%0.442SS*.  trans-57.1102.9174.1-83.3-46.1000108.2S3 I7S3-D5 PolarHBondContact O-N 3.15Å; D5-I7 VanDerWaalsContact C-N 3.34Å; D5-I7 PolarHBondContact O-N 2.76Å
6I53.5Low70.8Confident75 Ų7581.9 Ų81.939%0.38542%0.417SS..  trans-54.2112.3151.3-59.9171.2000103.3Y4 A8Y4-I6 PolarHBondContact O-N 3.15Å; I6-A8 HydrophobicContact CG2-CB 4.44Å; I6-A8 PolarHBondContact O-N 3.49Å
7I52.6Low72.1Confident151 Ų15177.8 Ų77.877%0.77440%0.4SS*.  trans-6386.5169.1-59.7173.4000104.7D5 N9D5-I7 VanDerWaalsContact C-N 3.34Å; D5-I7 PolarHBondContact O-N 2.76Å; I7-N9 PolarHBondContact O-N 2.97Å
8A63.4Low73.3Confident33 Ų3373.9 Ų73.927%0.27338%0.381SS..  trans-82.8103.9-17300000106.5I6 P107 W357I6-A8 HydrophobicContact CG2-CB 4.44Å; I6-A8 PolarHBondContact O-N 3.49Å; A8-P107 HydrophobicContact CB-CG 4.16Å; A8-W357 HydrophobicContact CB-CH2 3.66Å; A8-W357 HydrophobicContact CB-CZ2 4.28Å
9N85.9Confident74.3Confident66 Ų6670.4 Ų70.435%0.35337%0.365SS..PPolyproline II helixtrans-56.1161.5164.4-66.4-32.3000109.5I7 P11 E105 P107I7-N9 PolarHBondContact O-N 2.97Å; N9-P11 WeakPolarHBondContact O-CD 3.45Å; N9-P11 VanDerWaalsContact O-N 3.16Å; N9-E105 WeakPolarHBondContact CB-O 3.07Å; N9-E105 PolarHBondContact ND2-O 3.35Å; N9-P107 VanDerWaalsContact O-CD 3.3Å; N9-P107 WeakPolarHBondContact O-CD 3.35Å
10Q92.3Very high75.3Confident97 Ų9768.9 Ų68.945%0.45336%0.358SS..PPolyproline II helixtrans-50.8121.2-179.5-170.7176.115.800110.9F25 A26 H106Q10-F25 HydrophobicContact CG-CB 4.1Å; Q10-F25 HydrophobicContact CG-CD1 4.45Å; Q10-A26 PolarHBondContact NE2-O 3.15Å; Q10-H106 PolarHBondContact O-ND1 2.99Å
11P94.9Very high76.3Confident16 Ų1665.6 Ų65.610%0.10434%0.341CS..PPolyproline II helixtrans-62.8148.4-177.4-2534.1000113N9 A26 P107 A348 F353 W357N9-P11 WeakPolarHBondContact O-CD 3.45Å; N9-P11 VanDerWaalsContact O-N 3.16Å; P11-A26 HydrophobicContact CB-CB 4.19Å; P11-A26 HydrophobicContact CG-CB 4.46Å; P11-A26 PolarHBondContact O-N 3.34Å; P11-P107 CarbonylContact C-O 3.52Å; P11-P107 VanDerWaalsContact CA-O 3.25Å; P11-P107 WeakPolarHBondContact CA-O 3.44Å; P11-P107 HydrophobicContact CB-CB 4.2Å; P11-P107 HydrophobicContact CG-CB 4.3Å; P11-P107 HydrophobicContact CG-CG 4.43Å; P11-A348 HydrophobicContact CB-CB 4.21Å; P11-F353 HydrophobicContact CB-CE1 4.1Å; P11-F353 HydrophobicContact CG-CD1 4.23Å; P11-F353 HydrophobicContact CG-CE1 4.02Å; P11-W357 HydrophobicContact CG-CZ3 4.5Å
12V96.6Very high79.2Confident0 Ų054.7 Ų54.70%029%0.287CS..EExtended strand (participates in β ladder)trans-94.4133.4171.6177.30000109.2I14 F25 Y94 L99 H106 P107 V108 L109V12-I14 HydrophobicContact CG1-CD1 4.35Å; V12-I14 HydrophobicContact CG1-CG1 3.92Å; V12-F25 HydrophobicContact CG2-CD1 3.99Å; V12-F25 HydrophobicContact CG2-CE1 3.78Å; V12-Y94 HydrophobicContact CG1-CE1 4.38Å; V12-Y94 HydrophobicContact CG2-CE1 4.25Å; V12-L99 HydrophobicContact CG1-CD1 3.67Å; V12-H106 HydrophobicContact CG2-CB 3.82Å; V12-P107 PolarHBondContact N-O 3.3Å; V12-V108 WeakPolarHBondContact O-CA 3.37Å; V12-L109 PolarHBondContact O-N 2.96Å
13V97.8Very high82.1Confident0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-108.4117177.9-1790000109.1A23 G24 A26 L109 W341 A348V13-A23 WeakPolarHBondContact O-CA 3.4Å; V13-G24 PolarHBondContact N-O 3.37Å; V13-G24 PolarHBondContact O-N 3.03Å; V13-A26 HydrophobicContact CG2-CB 4.28Å; V13-L109 HydrophobicContact CG1-CD2 4.13Å; V13-L109 HydrophobicContact CG2-CB 4.25Å; V13-W341 HydrophobicContact CB-CZ2 4.2Å; V13-W341 HydrophobicContact CG1-CG 4.34Å; V13-W341 PolarHBondContact O-NE1 3.43Å; V13-A348 HydrophobicContact CG2-CB 4.03Å
14I97.5Very high84.7Confident0 Ų041.4 Ų41.40%021%0.213CC..EExtended strand (participates in β ladder)trans-115.8106.2178.4-54.6179.7000108.9V12 I21 V93 Y94 V108 L109 L110 T111 F128V12-I14 HydrophobicContact CG1-CD1 4.35Å; V12-I14 HydrophobicContact CG1-CG1 3.92Å; I14-I21 HydrophobicContact CG2-CD1 3.97Å; I14-I21 HydrophobicContact CG2-CG1 4.25Å; I14-V93 HydrophobicContact CD1-CG1 4.22Å; I14-V93 HydrophobicContact CG1-CG1 4.46Å; I14-Y94 HydrophobicContact CD1-CE2 3.95Å; I14-V108 HydrophobicContact CD1-CG1 4.14Å; I14-V108 HydrophobicContact CG1-CG1 4.41Å; I14-L109 PolarHBondContact N-O 3.16Å; I14-L110 HydrophobicContact CB-CD1 3.93Å; I14-L110 HydrophobicContact CG2-CD1 4.02Å; I14-L110 WeakPolarHBondContact O-CA 3.14Å; I14-T111 PolarHBondContact O-N 2.91Å; I14-T111 VanDerWaalsContact O-N 3.13Å; I14-F128 HydrophobicContact CD1-CE1 4.18Å; I14-F128 HydrophobicContact CD1-CZ 4.22Å
15D96.9Very high87.1Confident3 Ų332.6 Ų32.62%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-90.2104.8173.1176.937.6000110.7G17 K22 T111 T340 W341D15-G17 PolarHBondContact O-N 2.92Å; D15-G17 VanDerWaalsContact O-N 3.16Å; D15-K22 HydrophobicContact CB-CB 4.2Å; D15-K22 PolarHBondContact N-O 3.18Å; D15-K22 PolarHBondContact O-N 3.2Å; D15-K22 VanDerWaalsContact O-N 3.13Å; D15-K22 WeakPolarHBondContact OD2-CD 3.39Å; D15-K22 IonicContact OD2-NZ 2.69Å; D15-K22 PolarHBondContact OD2-NZ 3.43Å; D15-T111 VanDerWaalsContact CA-OG1 3.27Å; D15-T111 WeakPolarHBondContact CA-OG1 3.23Å; D15-T111 HydrophobicContact CB-CG2 4.05Å; D15-T111 WeakPolarHBondContact OD1-CB 3.38Å; D15-T111 PolarHBondContact OD1-OG1 2.92Å; D15-T340 WeakPolarHBondContact OD1-CG2 3.49Å; D15-W341 HydrophobicContact CB-CB 4.12Å; D15-W341 HydrophobicContact CB-CG 4.43Å
16N94.7Very high89.3Confident9 Ų926.7 Ų26.75%0.04815%0.148CC..  trans-80.192.3-179.7-67.6-45.3000110.8M75 W90 L110 T111 Q142N16-M75 HydrophobicContact CB-CE 4.38Å; N16-W90 PolarHBondContact OD1-NE1 3.26Å; N16-L110 WeakPolarHBondContact ND2-CD1 3.48Å; N16-L110 VanDerWaalsContact ND2-CG 3.26Å; N16-L110 WeakPolarHBondContact ND2-CG 3.49Å; N16-T111 PolarHBondContact N-OG1 3.32Å; N16-T111 PolarHBondContact ND2-O 3.35Å; N16-Q142 PolarHBondContact O-NE2 3.27Å; N16-Q142 VanDerWaalsContact O-NE2 3.12Å
17G92.8Very high91.2Very high12 Ų1225.5 Ų25.512%0.12415%0.154CC..  trans-90.2146.6167.600000112.2D15 G19 V20 N37D15-G17 PolarHBondContact O-N 2.92Å; D15-G17 VanDerWaalsContact O-N 3.16Å; G17-G19 VanDerWaalsContact C-N 3.26Å; G17-G19 PolarHBondContact O-N 3Å; G17-V20 VanDerWaalsContact CA-O 3.26Å; G17-V20 WeakPolarHBondContact CA-O 3.46Å; G17-V20 PolarHBondContact N-O 2.87Å; G17-N37 WeakPolarHBondContact O-CB 3.47Å; G17-N37 PolarHBondContact O-ND2 2.61Å
18S92.9Very high93.2Very high7 Ų720.2 Ų20.25%0.04913%0.127CC..SBendtrans-64-31.3175.9-51.80000113.4M75 G78 R188S18-M75 PolarHBondContact OG-SD 3.05Å; S18-G78 WeakPolarHBondContact OG-CA 3.39Å; S18-G78 PolarHBondContact OG-N 2.94Å; S18-R188 PolarHBondContact O-NH2 2.82Å
19G92.7Very high94.5Very high8 Ų826.8 Ų26.88%0.08215%0.153CC..SBendtrans-101.6-41.5179.400000113.6G17 P36 N37 D162G17-G19 VanDerWaalsContact C-N 3.26Å; G17-G19 PolarHBondContact O-N 3Å; G19-P36 CarbonylContact O-C 3.6Å; G19-P36 WeakPolarHBondContact O-CA 3.47Å; G19-N37 PolarHBondContact O-N 2.82Å; G19-D162 WeakPolarHBondContact CA-OD2 3.25Å
20V94.8Very high94.8Very high39 Ų3928.1 Ų28.124%0.23616%0.159CC..EExtended strand (participates in β ladder)trans-134.2127.4-176.8179.10000109.2G17 K22 F35G17-V20 VanDerWaalsContact CA-O 3.26Å; G17-V20 WeakPolarHBondContact CA-O 3.46Å; G17-V20 PolarHBondContact N-O 2.87Å; V20-K22 HydrophobicContact CG1-CG 4.39Å; V20-F35 WeakPolarHBondContact CG1-O 3.16Å
21I95.8Very high94.9Very high0 Ų024 Ų240%014%0.141CC..EExtended strand (participates in β ladder)trans-92.4143.5170.8-168.6167.8000109.3I14 C34 F35 N37 I89 V93I14-I21 HydrophobicContact CG2-CD1 3.97Å; I14-I21 HydrophobicContact CG2-CG1 4.25Å; I21-C34 WeakPolarHBondContact O-CA 3.4Å; I21-F35 HydrophobicContact CG2-CD1 3.97Å; I21-F35 HydrophobicContact CG2-CD2 3.66Å; I21-F35 HydrophobicContact CG2-CE1 3.64Å; I21-F35 HydrophobicContact CG2-CE2 3.31Å; I21-F35 HydrophobicContact CG2-CG 3.97Å; I21-F35 HydrophobicContact CG2-CZ 3.29Å; I21-F35 WeakPolarHBondContact CG2-O 3.48Å; I21-F35 PolarHBondContact N-O 3.12Å; I21-F35 PolarHBondContact O-N 2.72Å; I21-N37 HydrophobicContact CB-CB 4.4Å; I21-I89 HydrophobicContact CD1-CG2 3.83Å; I21-I89 HydrophobicContact CG2-CG2 4.46Å; I21-V93 HydrophobicContact CD1-CG2 4.02Å
22K96.3Very high94.8Very high18 Ų1828.5 Ų28.58%0.07816%0.158CC..EExtended strand (participates in β ladder)trans-129.6130.7-179.4-45.2165.9-16373.30108.7D15 V20 P31 Y33 L337 Y338 W341D15-K22 HydrophobicContact CB-CB 4.2Å; D15-K22 PolarHBondContact N-O 3.18Å; D15-K22 PolarHBondContact O-N 3.2Å; D15-K22 VanDerWaalsContact O-N 3.13Å; D15-K22 WeakPolarHBondContact OD2-CD 3.39Å; D15-K22 IonicContact OD2-NZ 2.69Å; D15-K22 PolarHBondContact OD2-NZ 3.43Å; V20-K22 HydrophobicContact CG1-CG 4.39Å; K22-P31 HydrophobicContact CB-CB 4.05Å; K22-P31 HydrophobicContact CB-CG 4.43Å; K22-Y33 CarbonylContact C-O 3.53Å; K22-Y33 WeakPolarHBondContact CA-O 3.39Å; K22-L337 WeakPolarHBondContact CE-O 3.44Å; K22-Y338 HydrophobicContact CD-CD1 3.99Å; K22-W341 HydrophobicContact CB-CB 4.36Å; K22-W341 HydrophobicContact CB-CG 4.19Å; K22-W341 HydrophobicContact CD-CB 4.24Å
23A96.5Very high94.6Very high0 Ų031.6 Ų31.60%017%0.17CC..EExtended strand (participates in β ladder)trans-138.5150.4-175.400000111.5V13 K32 Y33 V93V13-A23 WeakPolarHBondContact O-CA 3.4Å; A23-K32 PolarHBondContact O-N 3.31Å; A23-Y33 PolarHBondContact N-O 3.27Å; A23-Y33 PolarHBondContact O-N 3.31Å; A23-V93 HydrophobicContact CB-CG1 3.61Å
24G96.4Very high94.5Very high0 Ų034.1 Ų34.10%019%0.187CC..EExtended strand (participates in β ladder)trans173.4-173.4176.300000111.3V13V13-G24 PolarHBondContact N-O 3.37Å; V13-G24 PolarHBondContact O-N 3.03Å
25F96.2Very high94.4Very high22 Ų2234.4 Ų34.410%0.09619%0.189CC..EExtended strand (participates in β ladder)trans-95.7149.7178.9-63.9-83.9000111.2Q10 V12 D28 K32 L99 T101Q10-F25 HydrophobicContact CG-CB 4.1Å; Q10-F25 HydrophobicContact CG-CD1 4.45Å; V12-F25 HydrophobicContact CG2-CD1 3.99Å; V12-F25 HydrophobicContact CG2-CE1 3.78Å; F25-D28 PolarHBondContact O-N 3.22Å; F25-K32 HydrophobicContact CD2-CD 4.47Å; F25-L99 HydrophobicContact CD2-CD2 4.18Å; F25-L99 HydrophobicContact CE2-CD2 3.63Å; F25-L99 HydrophobicContact CZ-CD2 3.94Å; F25-T101 HydrophobicContact CE1-CG2 4.09Å; F25-T101 HydrophobicContact CZ-CG2 3.59Å
26A95.3Very high94.3Very high5 Ų534.4 Ų34.44%0.04119%0.189CC..THydrogen-bonded Turntrans-61.4136.6174.400000111.3Q10 P11 V13 A348Q10-A26 PolarHBondContact NE2-O 3.15Å; P11-A26 HydrophobicContact CB-CB 4.19Å; P11-A26 HydrophobicContact CG-CB 4.46Å; P11-A26 PolarHBondContact O-N 3.34Å; V13-A26 HydrophobicContact CG2-CB 4.28Å; A26-A348 HydrophobicContact CB-CB 3.56Å
27G92.8Very high94.3Very high49 Ų4934 Ų3451%0.50519%0.187SC..THydrogen-bonded Turntrans94.5-13.4-176.800000114.8S345G27-S345 PolarHBondContact N-O 3.1Å; G27-S345 PolarHBondContact N-OG 2.79Å
28D94.1Very high94.4Very high40 Ų4033.4 Ų33.421%0.21418%0.181CC..  trans-72.6145.4169.5-68.5-28.6000110.1F25 K32 W341 S345F25-D28 PolarHBondContact O-N 3.22Å; D28-K32 IonicContact OD1-NZ 3.41Å; D28-K32 PolarHBondContact OD1-NZ 2.92Å; D28-K32 WeakPolarHBondContact OD2-CD 3.44Å; D28-K32 WeakPolarHBondContact OD2-CE 3.17Å; D28-K32 IonicContact OD2-NZ 3.11Å; D28-K32 PolarHBondContact OD2-NZ 3.38Å; D28-W341 HydrophobicContact CB-CH2 4Å; D28-S345 PolarHBondContact N-OG 3.11Å; D28-S345 PolarHBondContact O-OG 3.25Å
29Q91Very high94.6Very high172 Ų17233 Ų3380%0.80418%0.178SC*.SBendtrans-75.7-31.8-178.4-68.1-176.1-4.700113.5
30I92.9Very high94.7Very high94 Ų9432.7 Ų32.748%0.48217%0.174SC..SBendtrans-131.5150.6179.656.1169.2000109.5K32I30-K32 PolarHBondContact O-N 3.1Å
31P94.4Very high94.6Very high11 Ų1134 Ų347%0.07118%0.175CC..  trans-61.6125.8173.924.3-32.5000109.7K22 Y33 C34 Y338 W341K22-P31 HydrophobicContact CB-CB 4.05Å; K22-P31 HydrophobicContact CB-CG 4.43Å; P31-Y33 VanDerWaalsContact C-N 3.28Å; P31-Y33 PolarHBondContact O-N 3.28Å; P31-C34 WeakPolarHBondContact CG-SG 3.44Å; P31-Y338 HydrophobicContact CG-CD1 3.7Å; P31-Y338 HydrophobicContact CG-CD2 4.34Å; P31-Y338 HydrophobicContact CG-CE1 4.1Å; P31-Y338 HydrophobicContact CG-CG 3.82Å; P31-W341 HydrophobicContact CB-CD2 3.61Å; P31-W341 HydrophobicContact CB-CE3 3.88Å; P31-W341 HydrophobicContact CB-CG 3.97Å; P31-W341 HydrophobicContact CB-CZ2 4.4Å; P31-W341 HydrophobicContact CB-CZ3 4.39Å; P31-W341 HydrophobicContact CG-CD2 4.26Å; P31-W341 HydrophobicContact CG-CE3 4.22Å; P31-W341 HydrophobicContact CG-CG 4.48Å
32K92.1Very high94.5Very high110 Ų11036.2 Ų36.248%0.47819%0.189SC..SBendtrans-63.7-37.3177.5-78.9-179.1169.61350112A23 F25 D28 I30A23-K32 PolarHBondContact O-N 3.31Å; F25-K32 HydrophobicContact CD2-CD 4.47Å; D28-K32 IonicContact OD1-NZ 3.41Å; D28-K32 PolarHBondContact OD1-NZ 2.92Å; D28-K32 WeakPolarHBondContact OD2-CD 3.44Å; D28-K32 WeakPolarHBondContact OD2-CE 3.17Å; D28-K32 IonicContact OD2-NZ 3.11Å; D28-K32 PolarHBondContact OD2-NZ 3.38Å; I30-K32 PolarHBondContact O-N 3.1Å
33Y93.8Very high94.1Very high64 Ų6438.9 Ų38.925%0.25120%0.201SC..EExtended strand (participates in β ladder)trans-126.1121.1-173.7-53.7-71000110.2K22 A23 P31 Q98 L99K22-Y33 CarbonylContact C-O 3.53Å; K22-Y33 WeakPolarHBondContact CA-O 3.39Å; A23-Y33 PolarHBondContact N-O 3.27Å; A23-Y33 PolarHBondContact O-N 3.31Å; P31-Y33 VanDerWaalsContact C-N 3.28Å; P31-Y33 PolarHBondContact O-N 3.28Å; Y33-Q98 HydrophobicContact CD1-CB 4.43Å; Y33-Q98 HydrophobicContact CG-CB 4.36Å; Y33-Q98 VanDerWaalsContact CG-OE1 3.25Å; Y33-Q98 PolarHBondContact OH-O 3.23Å; Y33-L99 HydrophobicContact CD2-CD2 3.72Å; Y33-L99 HydrophobicContact CD2-CG 4.09Å; Y33-L99 HydrophobicContact CE2-CD2 3.67Å; Y33-L99 HydrophobicContact CE2-CG 4.15Å
34C94.6Very high93.6Very high53 Ų5345.4 Ų45.436%0.35823%0.231SC..EExtended strand (participates in β ladder)trans-131.5122.2174.6-68.30000108.2I21 P31I21-C34 WeakPolarHBondContact O-CA 3.4Å; P31-C34 WeakPolarHBondContact CG-SG 3.44Å
35F94.8Very high92.8Very high6 Ų653.8 Ų53.83%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-149.9159179.465.3-94.2000110.5V20 I21 I58 I89 Y92 V93V20-F35 WeakPolarHBondContact CG1-O 3.16Å; I21-F35 HydrophobicContact CG2-CD1 3.97Å; I21-F35 HydrophobicContact CG2-CD2 3.66Å; I21-F35 HydrophobicContact CG2-CE1 3.64Å; I21-F35 HydrophobicContact CG2-CE2 3.31Å; I21-F35 HydrophobicContact CG2-CG 3.97Å; I21-F35 HydrophobicContact CG2-CZ 3.29Å; I21-F35 WeakPolarHBondContact CG2-O 3.48Å; I21-F35 PolarHBondContact N-O 3.12Å; I21-F35 PolarHBondContact O-N 2.72Å; F35-I58 HydrophobicContact CD2-CG2 4.4Å; F35-I58 HydrophobicContact CE2-CG2 3.79Å; F35-I89 HydrophobicContact CE2-CG2 4.13Å; F35-I89 HydrophobicContact CZ-CG2 4.27Å; F35-Y92 HydrophobicContact CD1-CE1 4.42Å; F35-Y92 HydrophobicContact CD2-CE1 4.43Å; F35-Y92 HydrophobicContact CE1-CD1 4.09Å; F35-Y92 HydrophobicContact CE1-CE1 4.14Å; F35-Y92 AromaticContact CE2-CD1 3.86Å; F35-Y92 HydrophobicContact CE2-CD1 3.86Å; F35-Y92 HydrophobicContact CE2-CE1 4.15Å; F35-Y92 AromaticContact CZ-CD1 3.59Å; F35-Y92 HydrophobicContact CZ-CD1 3.59Å; F35-Y92 AromaticContact CZ-CE1 4Å; F35-Y92 HydrophobicContact CZ-CE1 4Å; F35-V93 HydrophobicContact CE1-CG2 3.91Å; F35-V93 HydrophobicContact CZ-CG2 3.66Å
36P94.4Very high92.1Very high3 Ų357.1 Ų57.12%0.01928%0.284CS..EExtended strand (participates in β ladder)trans-69.9140.3-176.629.6-36.8000111.8G19 Y38 E63G19-P36 CarbonylContact O-C 3.6Å; G19-P36 WeakPolarHBondContact O-CA 3.47Å; P36-Y38 VanDerWaalsContact C-N 3.32Å; P36-Y38 HydrophobicContact CB-CD1 3.65Å; P36-Y38 HydrophobicContact CB-CE1 3.36Å; P36-Y38 HydrophobicContact CG-CD1 4.13Å; P36-Y38 HydrophobicContact CG-CE1 3.5Å; P36-Y38 HydrophobicContact CG-CE2 4.45Å; P36-Y38 PolarHBondContact O-N 3.21Å; P36-E63 VanDerWaalsContact CG-CD 3.49Å; P36-E63 HydrophobicContact CG-CG 3.52Å; P36-E63 WeakPolarHBondContact CG-OE1 3.47Å
37N95.6Very high91.3Very high0 Ų063.7 Ų63.70%032%0.323CS..SBendtrans-85.470.9-177.1-172.514.6000110.9G17 G19 I21 P74 I89G17-N37 WeakPolarHBondContact O-CB 3.47Å; G17-N37 PolarHBondContact O-ND2 2.61Å; G19-N37 PolarHBondContact O-N 2.82Å; I21-N37 HydrophobicContact CB-CB 4.4Å; N37-P74 WeakPolarHBondContact O-CD 3.21Å; N37-I89 WeakPolarHBondContact OD1-CD1 3.17Å
38Y95.6Very high90.6Very high0 Ų068.7 Ų68.70%034%0.336CS..  trans-148161.1173.262-116.1000112P36 A62 E63 I71 R72 Y73 E212P36-Y38 VanDerWaalsContact C-N 3.32Å; P36-Y38 HydrophobicContact CB-CD1 3.65Å; P36-Y38 HydrophobicContact CB-CE1 3.36Å; P36-Y38 HydrophobicContact CG-CD1 4.13Å; P36-Y38 HydrophobicContact CG-CE1 3.5Å; P36-Y38 HydrophobicContact CG-CE2 4.45Å; P36-Y38 PolarHBondContact O-N 3.21Å; Y38-A62 HydrophobicContact CD2-CB 4.43Å; Y38-A62 HydrophobicContact CE2-CB 3.73Å; Y38-E63 WeakPolarHBondContact OH-CG 3.42Å; Y38-I71 HydrophobicContact CD1-CG2 3.83Å; Y38-I71 HydrophobicContact CD2-CB 4.44Å; Y38-I71 HydrophobicContact CD2-CG1 4.34Å; Y38-I71 HydrophobicContact CD2-CG2 3.46Å; Y38-I71 VanDerWaalsContact CD2-CG2 3.46Å; Y38-I71 HydrophobicContact CE1-CG2 4.28Å; Y38-I71 HydrophobicContact CE2-CD1 4.07Å; Y38-I71 HydrophobicContact CE2-CG1 4.15Å; Y38-I71 HydrophobicContact CE2-CG2 3.96Å; Y38-I71 HydrophobicContact CG-CG2 3.4Å; Y38-R72 WeakPolarHBondContact CA-O 3.49Å; Y38-R72 WeakPolarHBondContact CB-O 3.42Å; Y38-Y73 HydrophobicContact CD1-CD1 4.3Å; Y38-Y73 AromaticContact CD1-CE1 3.69Å; Y38-Y73 HydrophobicContact CD1-CE1 3.69Å; Y38-Y73 HydrophobicContact CG-CE1 4.33Å; Y38-E212 HydrophobicContact CE1-CG 4.26Å
39V96Very high89.4Confident0 Ų071.6 Ų71.60%037%0.365CS..EExtended strand (participates in β ladder)trans-113.3125.7174.7-175.10000109.5L56 I58 R72 D85 I89V39-L56 HydrophobicContact CG1-CD2 3.71Å; V39-I58 HydrophobicContact CG1-CG1 4.33Å; V39-I58 HydrophobicContact CG2-CD1 4.28Å; V39-I58 HydrophobicContact CG2-CG1 4.24Å; V39-R72 PolarHBondContact N-O 3.14Å; V39-R72 PolarHBondContact O-N 3.27Å; V39-D85 HydrophobicContact CG2-CB 3.78Å; V39-I89 HydrophobicContact CG2-CD1 3.92Å; V39-I89 HydrophobicContact CG2-CG1 3.93Å
40G95.3Very high88.3Confident0 Ų067 Ų670%036%0.363CS..EExtended strand (participates in β ladder)trans-95.7133.8174.500000111.7F57 T70G40-F57 PolarHBondContact N-O 2.77Å; G40-F57 PolarHBondContact O-N 3.26Å; G40-T70 WeakPolarHBondContact CA-O 3.39Å
41R93.8Very high87.6Confident68 Ų6864.4 Ų64.426%0.25736%0.357SS..EExtended strand (participates in β ladder)trans-123.3137.9174.4-67.3177.1176.184.4-6.5110.8K43 L56 L69 T70 D85R41-K43 PolarHBondContact O-N 3.22Å; R41-L56 HydrophobicContact CG-CD2 4.01Å; R41-L69 CarbonylContact O-C 3.57Å; R41-L69 WeakPolarHBondContact O-CA 3.4Å; R41-T70 PolarHBondContact N-O 3.28Å; R41-T70 PolarHBondContact O-N 3.46Å; R41-D85 IonicContact CZ-OD1 3.55Å; R41-D85 IonicContact CZ-OD2 2.88Å; R41-D85 IonicContact NH1-OD1 3.31Å; R41-D85 IonicContact NH1-OD2 3.11Å; R41-D85 PolarHBondContact NH1-OD2 2.87Å; R41-D85 VanDerWaalsContact NH2-CG 3.3Å; R41-D85 IonicContact NH2-OD1 3.97Å; R41-D85 PolarHBondContact NH2-OD1 3.06Å; R41-D85 IonicContact NH2-OD2 3.45Å; R41-D85 PolarHBondContact NH2-OD2 3.42Å; R41-D85 VanDerWaalsContact NH2-OD2 3.11Å
42P92.2Very high86.7Confident45 Ų4567 Ų6729%0.29237%0.369SS..EExtended strand (participates in β ladder)trans-54.4131.6179.9-26.534.4000113.3D55 F57 L69P42-D55 VanDerWaalsContact CD-O 3.27Å; P42-D55 WeakPolarHBondContact CD-O 3.37Å; P42-F57 HydrophobicContact CG-CD2 4.39Å; P42-F57 HydrophobicContact CG-CE2 3.7Å; P42-L69 HydrophobicContact CG-CD2 4.39Å
43K88.1Confident86Confident74 Ų7469.8 Ų69.832%0.32238%0.384SS..SBendtrans-75.4-37.2173.5-73.8171.3-178.3160.20112.7R41 G67 L68 L69 T70R41-K43 PolarHBondContact O-N 3.22Å; K43-G67 PolarHBondContact NZ-O 3.38Å; K43-L68 PolarHBondContact N-O 3.46Å; K43-L69 WeakPolarHBondContact CE-O 3.25Å; K43-L69 PolarHBondContact NZ-O 3.49Å; K43-T70 WeakPolarHBondContact CG-OG1 2.91Å
44H85.5Confident85.4Confident138 Ų13868.7 Ų68.764%0.63939%0.392SS*.SBendtrans-114.8148-168.8-56.4-59.9000110.7
45M81.4Confident84.9Confident175 Ų17571.7 Ų71.786%0.86241%0.405SS*.  trans-66.9135.6176.8-170.3-178.8-67.600110.2
46R81.4Confident84.7Confident93 Ų9374.8 Ų74.835%0.35142%0.421SS..  trans-75.9128.9175.7-63.7177.5176.5133.34.8109.9L52 G54 D55 F57R46-L52 PolarHBondContact NE-O 3.16Å; R46-L52 PolarHBondContact NH2-O 3.25Å; R46-G54 PolarHBondContact NH1-O 3.13Å; R46-G54 PolarHBondContact NH2-O 3.46Å; R46-D55 IonicContact CZ-OD1 3.86Å; R46-D55 IonicContact NH1-OD1 2.88Å; R46-D55 PolarHBondContact NH1-OD1 2.99Å; R46-F57 VanDerWaalsContact NH2-CZ 3.33Å
47V78.4Confident84.7Confident142 Ų14275.1 Ų75.186%0.86142%0.422SS*.  trans-111.8-26.4179.6-1750000112.1
48M76.8Confident84.6Confident155 Ų15575.9 Ų75.976%0.76443%0.426SS*.SBendtrans-99.6133.4-176.2-169.6174.3-178.700111.7G50 A51M48-G50 PolarHBondContact O-N 3.41Å; M48-A51 PolarHBondContact O-N 3.18Å
49A68.7Low84.4Confident101 Ų10175.9 Ų75.984%0.83543%0.426SS*.THydrogen-bonded Turntrans-66.9128.2169.600000109.9
50G69.7Low84.2Confident74 Ų7479 Ų7976%0.76345%0.446SS*.THydrogen-bonded Turntrans93.24.4-175.900000115.6M48M48-G50 PolarHBondContact O-N 3.41Å
51A76.8Confident84Confident41 Ų4183.7 Ų83.734%0.33947%0.467SS..SBendtrans-64.3160.5165.400000110.9M48 E53M48-A51 PolarHBondContact O-N 3.18Å; A51-E53 PolarHBondContact O-N 2.83Å
52L76.3Confident83.9Confident64 Ų6480.4 Ų80.434%0.33546%0.455SS..SBendtrans-36.2110178.2-92.6134.9000112.1R46 F57 H65R46-L52 PolarHBondContact NE-O 3.16Å; R46-L52 PolarHBondContact NH2-O 3.25Å; L52-F57 HydrophobicContact CB-CE1 4.04Å; L52-F57 HydrophobicContact CB-CZ 3.96Å; L52-F57 HydrophobicContact CD2-CD1 4.14Å; L52-F57 HydrophobicContact CD2-CE1 3.41Å; L52-F57 VanDerWaalsContact CD2-CE1 3.41Å; L52-F57 HydrophobicContact CD2-CZ 4.19Å; L52-F57 HydrophobicContact CG-CE1 4.31Å; L52-H65 HydrophobicContact CD1-CB 4.45Å; L52-H65 VanDerWaalsContact CD1-CD2 3.47Å; L52-H65 WeakPolarHBondContact CD1-CD2 3.44Å
53E76.9Confident83.8Confident170 Ų17081.1 Ų81.179%0.79445%0.454SS*.  trans-75.8148.5-176.8-63.9-176.1170.900111.6A51A51-E53 PolarHBondContact O-N 2.83Å
54G80.9Confident83.9Confident41 Ų4184.9 Ų84.942%0.42347%0.473SS..SBendtrans88.6144.4176.200000114.3R46 L56 F57R46-G54 PolarHBondContact NH1-O 3.13Å; R46-G54 PolarHBondContact NH2-O 3.46Å; G54-L56 VanDerWaalsContact C-N 3.35Å; G54-F57 WeakPolarHBondContact O-CE2 3.5Å; G54-F57 WeakPolarHBondContact O-CZ 3.49Å
55D84.7Confident84.1Confident115 Ų11580.6 Ų80.662%0.61545%0.453SS*.SBendtrans-91.30.6-171.3-60.5-28000114.2P42 R46P42-D55 VanDerWaalsContact CD-O 3.27Å; P42-D55 WeakPolarHBondContact CD-O 3.37Å; R46-D55 IonicContact CZ-OD1 3.86Å; R46-D55 IonicContact NH1-OD1 2.88Å; R46-D55 PolarHBondContact NH1-OD1 2.99Å
56L91Very high84.4Confident71 Ų7174.8 Ų74.837%0.37242%0.421SS..  trans-133.8126.5-173.2-67162.5000109.5V39 R41 G54V39-L56 HydrophobicContact CG1-CD2 3.71Å; R41-L56 HydrophobicContact CG-CD2 4.01Å; G54-L56 VanDerWaalsContact C-N 3.35Å
57F93.1Very high84.7Confident10 Ų1073 Ų734%0.04443%0.432CS..BIsolated β-bridgetrans-121.2126.5-178.7-63.1-87.6000109.2G40 P42 R46 L52 G54 K61 A62 L69G40-F57 PolarHBondContact N-O 2.77Å; G40-F57 PolarHBondContact O-N 3.26Å; P42-F57 HydrophobicContact CG-CD2 4.39Å; P42-F57 HydrophobicContact CG-CE2 3.7Å; R46-F57 VanDerWaalsContact NH2-CZ 3.33Å; L52-F57 HydrophobicContact CB-CE1 4.04Å; L52-F57 HydrophobicContact CB-CZ 3.96Å; L52-F57 HydrophobicContact CD2-CD1 4.14Å; L52-F57 HydrophobicContact CD2-CE1 3.41Å; L52-F57 VanDerWaalsContact CD2-CE1 3.41Å; L52-F57 HydrophobicContact CD2-CZ 4.19Å; L52-F57 HydrophobicContact CG-CE1 4.31Å; G54-F57 WeakPolarHBondContact O-CE2 3.5Å; G54-F57 WeakPolarHBondContact O-CZ 3.49Å; F57-K61 HydrophobicContact CD1-CB 4.31Å; F57-A62 HydrophobicContact CB-CB 3.92Å; F57-A62 WeakPolarHBondContact O-CB 3.11Å; F57-L69 HydrophobicContact CB-CD1 3.72Å; F57-L69 HydrophobicContact CB-CD2 4.34Å; F57-L69 HydrophobicContact CD2-CD1 4.3Å; F57-L69 HydrophobicContact CD2-CD2 3.38Å; F57-L69 HydrophobicContact CD2-CG 4.5Å; F57-L69 HydrophobicContact CE2-CD2 3.93Å; F57-L69 HydrophobicContact CG-CD1 4.01Å; F57-L69 HydrophobicContact CG-CD2 3.94Å
58I93.9Very high85.3Confident16 Ų1670.9 Ų70.98%0.08242%0.415CS..  trans-132.9147-179.5-55.6175.2000108.1F35 V39 R88 I89 Y92F35-I58 HydrophobicContact CD2-CG2 4.4Å; F35-I58 HydrophobicContact CE2-CG2 3.79Å; V39-I58 HydrophobicContact CG1-CG1 4.33Å; V39-I58 HydrophobicContact CG2-CD1 4.28Å; V39-I58 HydrophobicContact CG2-CG1 4.24Å; I58-R88 HydrophobicContact CD1-CB 3.89Å; I58-I89 HydrophobicContact CD1-CG1 4.05Å; I58-I89 HydrophobicContact CG2-CG1 3.99Å; I58-Y92 HydrophobicContact CB-CD1 4.08Å; I58-Y92 HydrophobicContact CB-CD2 4.31Å; I58-Y92 HydrophobicContact CB-CG 3.96Å; I58-Y92 HydrophobicContact CG2-CD1 3.51Å; I58-Y92 HydrophobicContact CG2-CE1 4.1Å; I58-Y92 HydrophobicContact CG2-CG 3.78Å
59G91.8Very high86Confident0 Ų063.7 Ų63.70%038%0.379CS..THydrogen-bonded Turntrans70.3-144.2175.800000113.8K61 A62 E63G59-K61 VanDerWaalsContact C-N 3.28Å; G59-K61 PolarHBondContact O-N 3.31Å; G59-A62 WeakPolarHBondContact O-CA 3.28Å; G59-A62 WeakPolarHBondContact O-CB 3.32Å; G59-A62 PolarHBondContact O-N 2.89Å; G59-E63 PolarHBondContact O-N 3.12Å; G59-E63 VanDerWaalsContact O-N 3.12Å
60P91.8Very high87.2Confident66 Ų6661.4 Ų61.443%0.42936%0.355SS..Hα-helixtrans-56.1-37.2-173.1-27.835.5000114.3A62 E63 E64 Y92P60-A62 VanDerWaalsContact C-N 3.27Å; P60-A62 PolarHBondContact O-N 2.81Å; P60-E63 WeakPolarHBondContact O-CB 3.42Å; P60-E63 PolarHBondContact O-N 3.35Å; P60-E64 PolarHBondContact O-N 2.89Å; P60-Y92 WeakPolarHBondContact CD-OH 3.35Å
61K91Very high88.4Confident98 Ų9858.4 Ų58.443%0.42632%0.322SS..Hα-helixtrans-61.1-36.7176.3-69.8173.3178.3159.50112F57 G59 H65 D97F57-K61 HydrophobicContact CD1-CB 4.31Å; G59-K61 VanDerWaalsContact C-N 3.28Å; G59-K61 PolarHBondContact O-N 3.31Å; K61-H65 PolarHBondContact O-CD2 2.82Å; K61-H65 VanDerWaalsContact O-CD2 3.31Å; K61-H65 PolarHBondContact O-N 2.88Å; K61-D97 IonicContact NZ-OD2 3.27Å; K61-D97 PolarHBondContact NZ-OD2 3.39Å
62A91.8Very high89.3Confident0 Ų063.7 Ų63.70%033%0.333CS..Hα-helixtrans-75.2-28.5176.500000112.1Y38 F57 G59 P60 R66 L69Y38-A62 HydrophobicContact CD2-CB 4.43Å; Y38-A62 HydrophobicContact CE2-CB 3.73Å; F57-A62 HydrophobicContact CB-CB 3.92Å; F57-A62 WeakPolarHBondContact O-CB 3.11Å; G59-A62 WeakPolarHBondContact O-CA 3.28Å; G59-A62 WeakPolarHBondContact O-CB 3.32Å; G59-A62 PolarHBondContact O-N 2.89Å; P60-A62 VanDerWaalsContact C-N 3.27Å; P60-A62 PolarHBondContact O-N 2.81Å; A62-R66 WeakPolarHBondContact O-CG 3.45Å; A62-R66 PolarHBondContact O-N 3.11Å; A62-L69 HydrophobicContact CB-CD1 4.16Å
63E90Very high90.2Very high59 Ų5962.9 Ų62.928%0.27633%0.326SS..Hα-helixtrans-75.3-36.3176-71.6-166.3111.900113.7P36 Y38 G59 P60 R66P36-E63 VanDerWaalsContact CG-CD 3.49Å; P36-E63 HydrophobicContact CG-CG 3.52Å; P36-E63 WeakPolarHBondContact CG-OE1 3.47Å; Y38-E63 WeakPolarHBondContact OH-CG 3.42Å; G59-E63 PolarHBondContact O-N 3.12Å; G59-E63 VanDerWaalsContact O-N 3.12Å; P60-E63 WeakPolarHBondContact O-CB 3.42Å; P60-E63 PolarHBondContact O-N 3.35Å; E63-R66 VanDerWaalsContact CD-NH2 3.34Å; E63-R66 VanDerWaalsContact CG-NH2 3.26Å; E63-R66 WeakPolarHBondContact O-CD 3.47Å; E63-R66 VanDerWaalsContact O-CG 3.26Å; E63-R66 WeakPolarHBondContact O-CG 3.41Å; E63-R66 PolarHBondContact O-NE 3.06Å; E63-R66 IonicContact OE1-CZ 2.79Å; E63-R66 IonicContact OE1-NH2 3.42Å; E63-R66 PolarHBondContact OE1-NH2 3.08Å
64E90.4Very high91.1Very high153 Ų15354.9 Ų54.972%0.71529%0.288SS*.Hα-helixtrans-72.1-40.3178.5-171.4178.5172.100111.2P60P60-E64 PolarHBondContact O-N 2.89Å
65H89.5Confident91.7Very high48 Ų4853.4 Ų53.422%0.22227%0.271CS..THydrogen-bonded Turntrans-104.425.8-173.4-55.1-52.1000114L52 K61 G67 L68 L69L52-H65 HydrophobicContact CD1-CB 4.45Å; L52-H65 VanDerWaalsContact CD1-CD2 3.47Å; L52-H65 WeakPolarHBondContact CD1-CD2 3.44Å; K61-H65 PolarHBondContact O-CD2 2.82Å; K61-H65 VanDerWaalsContact O-CD2 3.31Å; K61-H65 PolarHBondContact O-N 2.88Å; H65-G67 PolarHBondContact O-N 3.07Å; H65-L68 HydrophobicContact CB-CD1 4.46Å; H65-L68 PolarHBondContact O-N 2.99Å; H65-L69 HydrophobicContact CB-CD1 4.33Å; H65-L69 WeakPolarHBondContact O-CG 3.46Å
66R88.4Confident92Very high54 Ų5451.9 Ų51.920%0.20426%0.26CS..G310 helixtrans-48-40.8-176.4-67.1172.4-151.1-149.3-7.6113.4A62 E63 L68 L69 I71 A209 E212A62-R66 WeakPolarHBondContact O-CG 3.45Å; A62-R66 PolarHBondContact O-N 3.11Å; E63-R66 VanDerWaalsContact CD-NH2 3.34Å; E63-R66 VanDerWaalsContact CG-NH2 3.26Å; E63-R66 WeakPolarHBondContact O-CD 3.47Å; E63-R66 VanDerWaalsContact O-CG 3.26Å; E63-R66 WeakPolarHBondContact O-CG 3.41Å; E63-R66 PolarHBondContact O-NE 3.06Å; E63-R66 IonicContact OE1-CZ 2.79Å; E63-R66 IonicContact OE1-NH2 3.42Å; E63-R66 PolarHBondContact OE1-NH2 3.08Å; R66-L68 VanDerWaalsContact C-N 3.26Å; R66-L68 PolarHBondContact O-N 2.94Å; R66-L69 PolarHBondContact O-N 2.94Å; R66-L69 VanDerWaalsContact O-N 3.09Å; R66-L69 VanDerWaalsContact O-O 3.07Å; R66-I71 HydrophobicContact CB-CD1 4.24Å; R66-I71 HydrophobicContact CG-CD1 4.07Å; R66-A209 HydrophobicContact CB-CB 4.13Å; R66-A209 VanDerWaalsContact O-CB 3.24Å; R66-A209 WeakPolarHBondContact O-CB 3.31Å; R66-E212 IonicContact NH1-OE2 3.25Å; R66-E212 PolarHBondContact NH1-OE2 3.26Å
67G87.8Confident92.1Very high55 Ų5550.6 Ų50.657%0.56725%0.252SS*.G310 helixtrans-57.4-37.8-178.800000113.5K43 H65 L69K43-G67 PolarHBondContact NZ-O 3.38Å; H65-G67 PolarHBondContact O-N 3.07Å; G67-L69 VanDerWaalsContact C-N 3.32Å
68L89.9Confident91.9Very high97 Ų9750.3 Ų50.351%0.50825%0.252SS..G310 helixtrans-80.8-12.9-178.7-57.7178.4000113.2K43 H65 R66K43-L68 PolarHBondContact N-O 3.46Å; H65-L68 HydrophobicContact CB-CD1 4.46Å; H65-L68 PolarHBondContact O-N 2.99Å; R66-L68 VanDerWaalsContact C-N 3.26Å; R66-L68 PolarHBondContact O-N 2.94Å
69L92.7Very high91.9Very high4 Ų450.1 Ų50.12%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-111.8139.8-168.1-58173.2000111.7R41 P42 K43 F57 A62 H65 R66 G67R41-L69 CarbonylContact O-C 3.57Å; R41-L69 WeakPolarHBondContact O-CA 3.4Å; P42-L69 HydrophobicContact CG-CD2 4.39Å; K43-L69 WeakPolarHBondContact CE-O 3.25Å; K43-L69 PolarHBondContact NZ-O 3.49Å; F57-L69 HydrophobicContact CB-CD1 3.72Å; F57-L69 HydrophobicContact CB-CD2 4.34Å; F57-L69 HydrophobicContact CD2-CD1 4.3Å; F57-L69 HydrophobicContact CD2-CD2 3.38Å; F57-L69 HydrophobicContact CD2-CG 4.5Å; F57-L69 HydrophobicContact CE2-CD2 3.93Å; F57-L69 HydrophobicContact CG-CD1 4.01Å; F57-L69 HydrophobicContact CG-CD2 3.94Å; A62-L69 HydrophobicContact CB-CD1 4.16Å; H65-L69 HydrophobicContact CB-CD1 4.33Å; H65-L69 WeakPolarHBondContact O-CG 3.46Å; R66-L69 PolarHBondContact O-N 2.94Å; R66-L69 VanDerWaalsContact O-N 3.09Å; R66-L69 VanDerWaalsContact O-O 3.07Å; G67-L69 VanDerWaalsContact C-N 3.32Å
70T93.6Very high92.1Very high54 Ų5450.8 Ų50.833%0.33126%0.255SS..EExtended strand (participates in β ladder)trans-84.5117.7160.8-55.30000107.4G40 R41 K43G40-T70 WeakPolarHBondContact CA-O 3.39Å; R41-T70 PolarHBondContact N-O 3.28Å; R41-T70 PolarHBondContact O-N 3.46Å; K43-T70 WeakPolarHBondContact CG-OG1 2.91Å
71I94.6Very high92.2Very high10 Ų1055.5 Ų55.55%0.05126%0.264CS..EExtended strand (participates in β ladder)trans-95.1131.4-175.5-63.2172.7000108.8Y38 R66 Y73 S208 E212Y38-I71 HydrophobicContact CD1-CG2 3.83Å; Y38-I71 HydrophobicContact CD2-CB 4.44Å; Y38-I71 HydrophobicContact CD2-CG1 4.34Å; Y38-I71 HydrophobicContact CD2-CG2 3.46Å; Y38-I71 VanDerWaalsContact CD2-CG2 3.46Å; Y38-I71 HydrophobicContact CE1-CG2 4.28Å; Y38-I71 HydrophobicContact CE2-CD1 4.07Å; Y38-I71 HydrophobicContact CE2-CG1 4.15Å; Y38-I71 HydrophobicContact CE2-CG2 3.96Å; Y38-I71 HydrophobicContact CG-CG2 3.4Å; R66-I71 HydrophobicContact CB-CD1 4.24Å; R66-I71 HydrophobicContact CG-CD1 4.07Å; I71-Y73 HydrophobicContact CG2-CE2 4.3Å; I71-S208 PolarHBondContact N-OG 2.92Å; I71-S208 VanDerWaalsContact N-OG 3.1Å; I71-E212 HydrophobicContact CD1-CG 4.27Å
72R94.6Very high92.4Very high153 Ų15353.3 Ų53.358%0.57726%0.258SS*.EExtended strand (participates in β ladder)trans-130.4132.9173.2-66.5-172.7177.3-175.3-1110.4Y38 V39Y38-R72 WeakPolarHBondContact CA-O 3.49Å; Y38-R72 WeakPolarHBondContact CB-O 3.42Å; V39-R72 PolarHBondContact N-O 3.14Å; V39-R72 PolarHBondContact O-N 3.27Å
73Y94.9Very high92.6Very high47 Ų4755.6 Ų55.618%0.18427%0.266CS..  trans-91125175-56.7-95000108.8Y38 I71 M75 E212Y38-Y73 HydrophobicContact CD1-CD1 4.3Å; Y38-Y73 AromaticContact CD1-CE1 3.69Å; Y38-Y73 HydrophobicContact CD1-CE1 3.69Å; Y38-Y73 HydrophobicContact CG-CE1 4.33Å; I71-Y73 HydrophobicContact CG2-CE2 4.3Å; Y73-M75 VanDerWaalsContact C-N 3.27Å; Y73-M75 PolarHBondContact O-N 3.47Å; Y73-E212 PolarHBondContact OH-OE1 3.22Å
74P95.8Very high92.9Very high1 Ų157.4 Ų57.41%0.00628%0.278CS..SBendtrans-77.3-16.5178.130.9-35.9000113.3N37 R81 D82 D85 M86 I89N37-P74 WeakPolarHBondContact O-CD 3.21Å; P74-R81 PolarHBondContact O-N 3.07Å; P74-D82 HydrophobicContact CB-CB 4.33Å; P74-D82 PolarHBondContact O-N 2.98Å; P74-D85 HydrophobicContact CB-CB 3.78Å; P74-D85 HydrophobicContact CG-CB 4.45Å; P74-M86 HydrophobicContact CB-CG 3.84Å; P74-M86 HydrophobicContact CB-SD 3.75Å; P74-M86 HydrophobicContact CG-CG 4.14Å; P74-M86 HydrophobicContact CG-SD 3.37Å; P74-M86 WeakPolarHBondContact CG-SD 3.49Å; P74-I89 HydrophobicContact CG-CD1 3.69Å
75M94.4Very high93.2Very high11 Ų1150.1 Ų50.15%0.05424%0.244CC..EExtended strand (participates in β ladder)trans-116.4132.6-179.1-162.8-176-120.800111.2N16 S18 Y73 G78 V79 V80 R188N16-M75 HydrophobicContact CB-CE 4.38Å; S18-M75 PolarHBondContact OG-SD 3.05Å; Y73-M75 VanDerWaalsContact C-N 3.27Å; Y73-M75 PolarHBondContact O-N 3.47Å; M75-G78 VanDerWaalsContact CE-O 3.31Å; M75-G78 WeakPolarHBondContact CE-O 3.38Å; M75-V79 WeakPolarHBondContact CA-O 3.25Å; M75-V79 WeakPolarHBondContact CG-O 3.37Å; M75-V80 HydrophobicContact CE-CG2 3.82Å; M75-R188 PolarHBondContact O-NH1 2.78Å
76E92Very high93.5Very high83 Ų8347.9 Ų47.939%0.38823%0.233SC..EExtended strand (participates in β ladder)trans-129.5130.6175.7-65.2-175.415700108.9G78 V79 R81E76-G78 VanDerWaalsContact C-N 3.27Å; E76-G78 PolarHBondContact O-N 3.11Å; E76-V79 PolarHBondContact N-O 2.72Å; E76-V79 WeakPolarHBondContact O-CA 3.29Å; E76-V79 WeakPolarHBondContact O-CB 3.47Å; E76-V79 PolarHBondContact O-N 3.37Å; E76-V79 VanDerWaalsContact O-O 3.04Å; E76-R81 HydrophobicContact CB-CG 4.16Å; E76-R81 HydrophobicContact CG-CG 4.3Å
77H92.2Very high93.8Very high43 Ų4347.6 Ų47.620%0.19923%0.234CC..THydrogen-bonded Turntrans5141.3-179.5-50.9-66.7000114.6V79 G163 R182 D184 D189H77-V79 PolarHBondContact O-N 3.33Å; H77-G163 WeakPolarHBondContact CA-O 3.36Å; H77-G163 PolarHBondContact ND1-O 3.42Å; H77-R182 PolarHBondContact O-NH2 2.93Å; H77-D184 HydrophobicContact CB-CB 4.11Å; H77-D184 PolarHBondContact CE1-O 3.17Å; H77-D184 PolarHBondContact ND1-O 2.89Å; H77-D184 VanDerWaalsContact ND1-O 3.08Å; H77-D189 IonicContact CE1-OD1 3.59Å
78G89.6Confident94.2Very high4 Ų449 Ų494%0.04122%0.222CC..THydrogen-bonded Turntrans71.45.8-177.700000114.9S18 M75 E76S18-G78 WeakPolarHBondContact OG-CA 3.39Å; S18-G78 PolarHBondContact OG-N 2.94Å; M75-G78 VanDerWaalsContact CE-O 3.31Å; M75-G78 WeakPolarHBondContact CE-O 3.38Å; E76-G78 VanDerWaalsContact C-N 3.27Å; E76-G78 PolarHBondContact O-N 3.11Å
79V93.8Very high94.5Very high13 Ų1344.3 Ų44.38%0.07920%0.198CC..EExtended strand (participates in β ladder)trans-115.8128.7-178.6-177.50000109.5M75 E76 H77 R81 N120M75-V79 WeakPolarHBondContact CA-O 3.25Å; M75-V79 WeakPolarHBondContact CG-O 3.37Å; E76-V79 PolarHBondContact N-O 2.72Å; E76-V79 WeakPolarHBondContact O-CA 3.29Å; E76-V79 WeakPolarHBondContact O-CB 3.47Å; E76-V79 PolarHBondContact O-N 3.37Å; E76-V79 VanDerWaalsContact O-O 3.04Å; H77-V79 PolarHBondContact O-N 3.33Å; V79-R81 PolarHBondContact O-N 3.09Å; V79-N120 WeakPolarHBondContact CG1-ND2 3.42Å
80V95.3Very high94.7Very high13 Ų1344.2 Ų44.28%0.07920%0.197CC..EExtended strand (participates in β ladder)trans-69.5126.3174.2177.70000109.9M75 W83 M86 N120M75-V80 HydrophobicContact CE-CG2 3.82Å; V80-W83 HydrophobicContact CB-CD2 4.42Å; V80-W83 HydrophobicContact CB-CH2 4.09Å; V80-W83 HydrophobicContact CB-CZ2 3.87Å; V80-W83 HydrophobicContact CB-CZ3 4.47Å; V80-W83 HydrophobicContact CG1-CD2 3.66Å; V80-W83 HydrophobicContact CG1-CE3 3.94Å; V80-W83 HydrophobicContact CG1-CG 4.06Å; V80-W83 HydrophobicContact CG1-CH2 4.28Å; V80-W83 HydrophobicContact CG1-CZ2 4.03Å; V80-W83 HydrophobicContact CG1-CZ3 4.26Å; V80-W83 HydrophobicContact CG2-CH2 4.33Å; V80-M86 HydrophobicContact CB-CG 4.13Å; V80-M86 HydrophobicContact CG1-CB 4.12Å; V80-M86 HydrophobicContact CG1-CG 3.32Å; V80-M86 HydrophobicContact CG2-CE 4.46Å; V80-M86 HydrophobicContact CG2-CG 3.71Å; V80-M86 HydrophobicContact CG2-SD 4.31Å; V80-N120 PolarHBondContact O-ND2 3.2Å
81R94.3Very high94.8Very high165 Ų16547.8 Ų47.862%0.62321%0.21SC*.SBendtrans-106.1-42.1175.8-63.6-61.7-172.7-179.1-1.6112.1P74 E76 V79P74-R81 PolarHBondContact O-N 3.07Å; E76-R81 HydrophobicContact CB-CG 4.16Å; E76-R81 HydrophobicContact CG-CG 4.3Å; V79-R81 PolarHBondContact O-N 3.09Å
82D95.9Very high94.8Very high53 Ų5348.6 Ų48.628%0.28321%0.213SC..  trans-109.9101176.4-167.3-22.1000110.4P74 N84 D85 M86P74-D82 HydrophobicContact CB-CB 4.33Å; P74-D82 PolarHBondContact O-N 2.98Å; D82-N84 WeakPolarHBondContact OD1-CB 3.28Å; D82-N84 PolarHBondContact OD1-N 3.32Å; D82-N84 VanDerWaalsContact OD1-N 3.11Å; D82-D85 HydrophobicContact CB-CB 4.24Å; D82-D85 PolarHBondContact O-N 3.3Å; D82-D85 PolarHBondContact OD1-N 3.01Å; D82-M86 PolarHBondContact O-N 3.43Å; D82-M86 VanDerWaalsContact O-N 3.14Å
83W95.4Very high94.8Very high48 Ų4841.3 Ų41.318%0.18219%0.185CC..Hα-helixtrans-69.7-33.2-179.3-73.197.4000112.9V80 D85 M86 E87 W90 N120 K123 A124V80-W83 HydrophobicContact CB-CD2 4.42Å; V80-W83 HydrophobicContact CB-CH2 4.09Å; V80-W83 HydrophobicContact CB-CZ2 3.87Å; V80-W83 HydrophobicContact CB-CZ3 4.47Å; V80-W83 HydrophobicContact CG1-CD2 3.66Å; V80-W83 HydrophobicContact CG1-CE3 3.94Å; V80-W83 HydrophobicContact CG1-CG 4.06Å; V80-W83 HydrophobicContact CG1-CH2 4.28Å; V80-W83 HydrophobicContact CG1-CZ2 4.03Å; V80-W83 HydrophobicContact CG1-CZ3 4.26Å; V80-W83 HydrophobicContact CG2-CH2 4.33Å; W83-D85 VanDerWaalsContact C-N 3.26Å; W83-D85 PolarHBondContact O-N 3.05Å; W83-M86 PolarHBondContact O-N 3.46Å; W83-E87 WeakPolarHBondContact O-CB 3.23Å; W83-E87 WeakPolarHBondContact O-CG 3.32Å; W83-E87 PolarHBondContact O-N 3.09Å; W83-W90 AromaticContact CZ3-CH2 3.94Å; W83-W90 HydrophobicContact CZ3-CH2 3.94Å; W83-W90 HydrophobicContact CZ3-CZ3 4.24Å; W83-N120 HydrophobicContact CH2-CB 4.42Å; W83-N120 VanDerWaalsContact CH2-O 3.25Å; W83-N120 WeakPolarHBondContact CH2-O 3.48Å; W83-N120 HydrophobicContact CZ2-CB 4Å; W83-K123 HydrophobicContact CD2-CB 4.43Å; W83-K123 HydrophobicContact CD2-CG 3.6Å; W83-K123 HydrophobicContact CE3-CB 4.47Å; W83-K123 HydrophobicContact CE3-CG 3.73Å; W83-K123 HydrophobicContact CG-CG 4.23Å; W83-K123 HydrophobicContact CH2-CB 3.79Å; W83-K123 HydrophobicContact CH2-CG 3.97Å; W83-K123 HydrophobicContact CZ2-CB 3.72Å; W83-K123 HydrophobicContact CZ2-CG 3.83Å; W83-K123 HydrophobicContact CZ3-CB 4.15Å; W83-K123 HydrophobicContact CZ3-CG 3.9Å; W83-A124 HydrophobicContact CH2-CB 4.13Å; W83-A124 HydrophobicContact CZ3-CB 4.16Å
84N95.8Very high94.8Very high96 Ų9639.9 Ų39.951%0.51318%0.18SC..Hα-helixtrans-64.8-37.4178.8-58.4-60.6000110.8D82 R88D82-N84 WeakPolarHBondContact OD1-CB 3.28Å; D82-N84 PolarHBondContact OD1-N 3.32Å; D82-N84 VanDerWaalsContact OD1-N 3.11Å; N84-R88 WeakPolarHBondContact O-CD 3.27Å; N84-R88 VanDerWaalsContact O-CG 3.25Å; N84-R88 WeakPolarHBondContact O-CG 3.4Å; N84-R88 PolarHBondContact O-N 3.01Å
85D95.9Very high94.6Very high1 Ų141.5 Ų41.51%0.00519%0.191CC..Hα-helixtrans-77.1-35178.4-79.93000112V39 R41 P74 D82 W83 R88 I89V39-D85 HydrophobicContact CG2-CB 3.78Å; R41-D85 IonicContact CZ-OD1 3.55Å; R41-D85 IonicContact CZ-OD2 2.88Å; R41-D85 IonicContact NH1-OD1 3.31Å; R41-D85 IonicContact NH1-OD2 3.11Å; R41-D85 PolarHBondContact NH1-OD2 2.87Å; R41-D85 VanDerWaalsContact NH2-CG 3.3Å; R41-D85 IonicContact NH2-OD1 3.97Å; R41-D85 PolarHBondContact NH2-OD1 3.06Å; R41-D85 IonicContact NH2-OD2 3.45Å; R41-D85 PolarHBondContact NH2-OD2 3.42Å; R41-D85 VanDerWaalsContact NH2-OD2 3.11Å; P74-D85 HydrophobicContact CB-CB 3.78Å; P74-D85 HydrophobicContact CG-CB 4.45Å; D82-D85 HydrophobicContact CB-CB 4.24Å; D82-D85 PolarHBondContact O-N 3.3Å; D82-D85 PolarHBondContact OD1-N 3.01Å; W83-D85 VanDerWaalsContact C-N 3.26Å; W83-D85 PolarHBondContact O-N 3.05Å; D85-R88 PolarHBondContact O-N 3.4Å; D85-R88 IonicContact OD1-CZ 3.54Å; D85-R88 IonicContact OD1-NH1 2.9Å; D85-R88 PolarHBondContact OD1-NH1 3.4Å; D85-I89 WeakPolarHBondContact O-CG1 3.38Å; D85-I89 PolarHBondContact O-N 3.24Å; D85-I89 VanDerWaalsContact O-N 3.08Å
86M96.4Very high94.1Very high0 Ų049.2 Ų49.20%022%0.224CC..Hα-helixtrans-63.5-44170.5-77.5-51.8-61.700112.9P74 V80 D82 W83 R88 I89 W90P74-M86 HydrophobicContact CB-CG 3.84Å; P74-M86 HydrophobicContact CB-SD 3.75Å; P74-M86 HydrophobicContact CG-CG 4.14Å; P74-M86 HydrophobicContact CG-SD 3.37Å; P74-M86 WeakPolarHBondContact CG-SD 3.49Å; V80-M86 HydrophobicContact CB-CG 4.13Å; V80-M86 HydrophobicContact CG1-CB 4.12Å; V80-M86 HydrophobicContact CG1-CG 3.32Å; V80-M86 HydrophobicContact CG2-CE 4.46Å; V80-M86 HydrophobicContact CG2-CG 3.71Å; V80-M86 HydrophobicContact CG2-SD 4.31Å; D82-M86 PolarHBondContact O-N 3.43Å; D82-M86 VanDerWaalsContact O-N 3.14Å; W83-M86 PolarHBondContact O-N 3.46Å; M86-R88 VanDerWaalsContact C-N 3.3Å; M86-R88 PolarHBondContact O-N 3.28Å; M86-I89 PolarHBondContact O-N 2.95Å; M86-I89 VanDerWaalsContact O-N 3.1Å; M86-W90 HydrophobicContact CB-CE3 4.47Å; M86-W90 HydrophobicContact CB-CH2 4.31Å; M86-W90 HydrophobicContact CB-CZ3 4.27Å; M86-W90 HydrophobicContact CE-CH2 4.46Å; M86-W90 HydrophobicContact CE-CZ2 3.68Å; M86-W90 PolarHBondContact O-N 3.23Å
87E96.2Very high93.7Very high48 Ų4849.4 Ų49.422%0.22423%0.228CC..Hα-helixtrans-57.3-44.7176.8-80.9171.4-153.500111.4W83 I89 W90 Q91 V127W83-E87 WeakPolarHBondContact O-CB 3.23Å; W83-E87 WeakPolarHBondContact O-CG 3.32Å; W83-E87 PolarHBondContact O-N 3.09Å; E87-I89 VanDerWaalsContact C-N 3.31Å; E87-I89 PolarHBondContact O-N 3.24Å; E87-W90 PolarHBondContact O-N 2.89Å; E87-Q91 WeakPolarHBondContact O-CB 3.16Å; E87-Q91 PolarHBondContact O-N 2.74Å; E87-V127 HydrophobicContact CG-CG1 3.64Å; E87-V127 HydrophobicContact CG-CG2 3.99Å; E87-V127 VanDerWaalsContact OE1-CG2 3.29Å; E87-V127 WeakPolarHBondContact OE1-CG2 3.46Å
88R95.4Very high93.5Very high84 Ų8448.1 Ų48.132%0.31722%0.222SC..Hα-helixtrans-62.7-37.2175.5-71166.6178.5127.510.2112.6I58 N84 D85 M86 Q91 Y92I58-R88 HydrophobicContact CD1-CB 3.89Å; N84-R88 WeakPolarHBondContact O-CD 3.27Å; N84-R88 VanDerWaalsContact O-CG 3.25Å; N84-R88 WeakPolarHBondContact O-CG 3.4Å; N84-R88 PolarHBondContact O-N 3.01Å; D85-R88 PolarHBondContact O-N 3.4Å; D85-R88 IonicContact OD1-CZ 3.54Å; D85-R88 IonicContact OD1-NH1 2.9Å; D85-R88 PolarHBondContact OD1-NH1 3.4Å; M86-R88 VanDerWaalsContact C-N 3.3Å; M86-R88 PolarHBondContact O-N 3.28Å; R88-Q91 PolarHBondContact O-N 3.31Å; R88-Y92 WeakPolarHBondContact O-CB 3.49Å; R88-Y92 PolarHBondContact O-N 3.36Å
89I96.1Very high93.5Very high0 Ų048.3 Ų48.30%022%0.222CC..Hα-helixtrans-67.3-44.4176.5-71176.1000110.6I21 F35 N37 V39 I58 P74 D85 M86 E87 Q91 Y92 V93I21-I89 HydrophobicContact CD1-CG2 3.83Å; I21-I89 HydrophobicContact CG2-CG2 4.46Å; F35-I89 HydrophobicContact CE2-CG2 4.13Å; F35-I89 HydrophobicContact CZ-CG2 4.27Å; N37-I89 WeakPolarHBondContact OD1-CD1 3.17Å; V39-I89 HydrophobicContact CG2-CD1 3.92Å; V39-I89 HydrophobicContact CG2-CG1 3.93Å; I58-I89 HydrophobicContact CD1-CG1 4.05Å; I58-I89 HydrophobicContact CG2-CG1 3.99Å; P74-I89 HydrophobicContact CG-CD1 3.69Å; D85-I89 WeakPolarHBondContact O-CG1 3.38Å; D85-I89 PolarHBondContact O-N 3.24Å; D85-I89 VanDerWaalsContact O-N 3.08Å; M86-I89 PolarHBondContact O-N 2.95Å; M86-I89 VanDerWaalsContact O-N 3.1Å; E87-I89 VanDerWaalsContact C-N 3.31Å; E87-I89 PolarHBondContact O-N 3.24Å; I89-Q91 VanDerWaalsContact C-N 3.34Å; I89-Q91 PolarHBondContact O-N 3.3Å; I89-Y92 WeakPolarHBondContact O-CB 3.42Å; I89-Y92 PolarHBondContact O-N 3.47Å; I89-Y92 VanDerWaalsContact O-N 3.16Å; I89-V93 WeakPolarHBondContact O-CG2 3.49Å; I89-V93 PolarHBondContact O-N 3.02Å
90W96.4Very high93.4Very high2 Ų254.5 Ų54.51%0.00825%0.25CS..Hα-helixtrans-64.1-38.8174.4-66.4-36.2000112.2N16 W83 M86 E87 Y92 V93 Y94 A124 V127 F128 F132N16-W90 PolarHBondContact OD1-NE1 3.26Å; W83-W90 AromaticContact CZ3-CH2 3.94Å; W83-W90 HydrophobicContact CZ3-CH2 3.94Å; W83-W90 HydrophobicContact CZ3-CZ3 4.24Å; M86-W90 HydrophobicContact CB-CE3 4.47Å; M86-W90 HydrophobicContact CB-CH2 4.31Å; M86-W90 HydrophobicContact CB-CZ3 4.27Å; M86-W90 HydrophobicContact CE-CH2 4.46Å; M86-W90 HydrophobicContact CE-CZ2 3.68Å; M86-W90 PolarHBondContact O-N 3.23Å; E87-W90 PolarHBondContact O-N 2.89Å; W90-Y92 VanDerWaalsContact C-N 3.28Å; W90-Y92 PolarHBondContact O-N 2.96Å; W90-V93 WeakPolarHBondContact O-CB 3.27Å; W90-V93 PolarHBondContact O-N 3.01Å; W90-V93 VanDerWaalsContact O-N 3.16Å; W90-Y94 WeakPolarHBondContact O-CD2 3.3Å; W90-Y94 PolarHBondContact O-N 2.85Å; W90-A124 HydrophobicContact CH2-CB 4.35Å; W90-V127 HydrophobicContact CE3-CG1 3.78Å; W90-V127 HydrophobicContact CZ3-CB 4.22Å; W90-V127 HydrophobicContact CZ3-CG1 3.74Å; W90-F128 AromaticContact CD2-CE2 3.93Å; W90-F128 HydrophobicContact CD2-CE2 3.93Å; W90-F128 AromaticContact CD2-CZ 3.8Å; W90-F128 HydrophobicContact CD2-CZ 3.8Å; W90-F128 AromaticContact CE2-CE2 3.89Å; W90-F128 AromaticContact CE2-CZ 3.93Å; W90-F128 HydrophobicContact CE3-CE2 4.04Å; W90-F128 HydrophobicContact CE3-CZ 4.24Å; W90-F128 AromaticContact CG-CZ 3.95Å; W90-F128 HydrophobicContact CG-CZ 3.95Å; W90-F128 HydrophobicContact CH2-CE2 4.07Å; W90-F128 AromaticContact CZ2-CE2 3.97Å; W90-F128 HydrophobicContact CZ2-CE2 3.97Å; W90-F128 HydrophobicContact CZ2-CZ 4.46Å; W90-F128 HydrophobicContact CZ3-CE2 4.11Å; W90-F132 HydrophobicContact CB-CE2 3.86Å; W90-F132 HydrophobicContact CB-CZ 3.69Å; W90-F132 HydrophobicContact CE3-CE2 4.26Å
91Q95.3Very high93.2Very high128 Ų12855.2 Ų55.260%0.59826%0.255SS*.Hα-helixtrans-61.3-39.5172.7-170.2-179.113.900111.5E87 R88 I89 Y94 S95 F132E87-Q91 WeakPolarHBondContact O-CB 3.16Å; E87-Q91 PolarHBondContact O-N 2.74Å; R88-Q91 PolarHBondContact O-N 3.31Å; I89-Q91 VanDerWaalsContact C-N 3.34Å; I89-Q91 PolarHBondContact O-N 3.3Å; Q91-Y94 PolarHBondContact O-N 3.43Å; Q91-S95 WeakPolarHBondContact O-CB 3.47Å; Q91-S95 PolarHBondContact O-N 3.3Å; Q91-F132 HydrophobicContact CB-CE1 4.1Å; Q91-F132 HydrophobicContact CB-CZ 4.19Å
92Y94.8Very high93.1Very high28 Ų2854 Ų5411%0.1125%0.254CS..Hα-helixtrans-65-38174.6-179.2-104.4000112.4F35 I58 P60 R88 I89 W90 Y94 S95 D97 Q98F35-Y92 HydrophobicContact CD1-CE1 4.42Å; F35-Y92 HydrophobicContact CD2-CE1 4.43Å; F35-Y92 HydrophobicContact CE1-CD1 4.09Å; F35-Y92 HydrophobicContact CE1-CE1 4.14Å; F35-Y92 AromaticContact CE2-CD1 3.86Å; F35-Y92 HydrophobicContact CE2-CD1 3.86Å; F35-Y92 HydrophobicContact CE2-CE1 4.15Å; F35-Y92 AromaticContact CZ-CD1 3.59Å; F35-Y92 HydrophobicContact CZ-CD1 3.59Å; F35-Y92 AromaticContact CZ-CE1 4Å; F35-Y92 HydrophobicContact CZ-CE1 4Å; I58-Y92 HydrophobicContact CB-CD1 4.08Å; I58-Y92 HydrophobicContact CB-CD2 4.31Å; I58-Y92 HydrophobicContact CB-CG 3.96Å; I58-Y92 HydrophobicContact CG2-CD1 3.51Å; I58-Y92 HydrophobicContact CG2-CE1 4.1Å; I58-Y92 HydrophobicContact CG2-CG 3.78Å; P60-Y92 WeakPolarHBondContact CD-OH 3.35Å; R88-Y92 WeakPolarHBondContact O-CB 3.49Å; R88-Y92 PolarHBondContact O-N 3.36Å; I89-Y92 WeakPolarHBondContact O-CB 3.42Å; I89-Y92 PolarHBondContact O-N 3.47Å; I89-Y92 VanDerWaalsContact O-N 3.16Å; W90-Y92 VanDerWaalsContact C-N 3.28Å; W90-Y92 PolarHBondContact O-N 2.96Å; Y92-Y94 PolarHBondContact O-N 2.74Å; Y92-S95 VanDerWaalsContact O-CB 3.31Å; Y92-S95 WeakPolarHBondContact O-CB 3.49Å; Y92-S95 PolarHBondContact O-N 3.17Å; Y92-S95 VanDerWaalsContact O-N 3.13Å; Y92-S95 PolarHBondContact O-OG 3.11Å; Y92-D97 HydrophobicContact CE2-CB 3.8Å; Y92-Q98 HydrophobicContact CD1-CG 4.02Å; Y92-Q98 HydrophobicContact CE1-CG 3.55Å; Y92-Q98 PolarHBondContact OH-NE2 3.07Å
93V95.1Very high93Very high0 Ų052.4 Ų52.40%025%0.247CC..Hα-helixtrans-58.3-44.8174.9169.80000111.6I14 I21 A23 F35 I89 W90 S95 Q98 L99I14-V93 HydrophobicContact CD1-CG1 4.22Å; I14-V93 HydrophobicContact CG1-CG1 4.46Å; I21-V93 HydrophobicContact CD1-CG2 4.02Å; A23-V93 HydrophobicContact CB-CG1 3.61Å; F35-V93 HydrophobicContact CE1-CG2 3.91Å; F35-V93 HydrophobicContact CZ-CG2 3.66Å; I89-V93 WeakPolarHBondContact O-CG2 3.49Å; I89-V93 PolarHBondContact O-N 3.02Å; W90-V93 WeakPolarHBondContact O-CB 3.27Å; W90-V93 PolarHBondContact O-N 3.01Å; W90-V93 VanDerWaalsContact O-N 3.16Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-Q98 WeakPolarHBondContact O-CB 3.04Å; V93-L99 HydrophobicContact CG1-CD1 3.53Å; V93-L99 HydrophobicContact CG1-CG 4.33Å; V93-L99 WeakPolarHBondContact O-CB 3.34Å; V93-L99 WeakPolarHBondContact O-CG 3.48Å; V93-L99 PolarHBondContact O-N 2.81Å; V93-L99 VanDerWaalsContact O-N 3.16Å
94Y94.4Very high92.9Very high16 Ų1655.6 Ų55.66%0.06326%0.264CS..Hα-helixtrans-78.6-13.7176.7-74.9-74.1000114.1V12 I14 W90 Q91 Y92 L99 T101 V108 F128 F132V12-Y94 HydrophobicContact CG1-CE1 4.38Å; V12-Y94 HydrophobicContact CG2-CE1 4.25Å; I14-Y94 HydrophobicContact CD1-CE2 3.95Å; W90-Y94 WeakPolarHBondContact O-CD2 3.3Å; W90-Y94 PolarHBondContact O-N 2.85Å; Q91-Y94 PolarHBondContact O-N 3.43Å; Y92-Y94 PolarHBondContact O-N 2.74Å; Y94-L99 HydrophobicContact CD1-CD1 4.42Å; Y94-L99 HydrophobicContact CE1-CD1 4.5Å; Y94-T101 VanDerWaalsContact O-O 3.06Å; Y94-V108 WeakPolarHBondContact OH-CG2 3.42Å; Y94-F128 HydrophobicContact CE2-CE1 4.33Å; Y94-F132 HydrophobicContact CD2-CD1 4.45Å
95S92.1Very high92.7Very high35 Ų3555.7 Ų55.725%0.24526%0.261CS..SBendtrans-64166.9-175.879.90000113Q91 Y92 V93 D97 Q98 L99 Q100Q91-S95 WeakPolarHBondContact O-CB 3.47Å; Q91-S95 PolarHBondContact O-N 3.3Å; Y92-S95 VanDerWaalsContact O-CB 3.31Å; Y92-S95 WeakPolarHBondContact O-CB 3.49Å; Y92-S95 PolarHBondContact O-N 3.17Å; Y92-S95 VanDerWaalsContact O-N 3.13Å; Y92-S95 PolarHBondContact O-OG 3.11Å; V93-S95 VanDerWaalsContact C-N 3.32Å; S95-D97 PolarHBondContact O-N 3.33Å; S95-D97 VanDerWaalsContact O-N 3.16Å; S95-D97 PolarHBondContact OG-N 3.13Å; S95-Q98 PolarHBondContact O-N 3.5Å; S95-Q98 VanDerWaalsContact O-N 3.08Å; S95-L99 PolarHBondContact O-N 3.36Å; S95-Q100 PolarHBondContact O-N 2.88Å
96K84.6Confident92.6Very high174 Ų17456.5 Ų56.576%0.75727%0.265SS*.THydrogen-bonded Turntrans-61.5-21.6176.6-64.6-174.6179.9-177.80113.8Q98 Q100K96-Q98 PolarHBondContact O-N 3.19Å; K96-Q100 WeakPolarHBondContact O-CG 3.48Å; K96-Q100 PolarHBondContact O-NE2 3.33Å
97D82.8Confident92.5Very high86 Ų8656.5 Ų56.546%0.4627%0.265SS..THydrogen-bonded Turntrans-74.1-17.7178.9-740.9000111.8K61 Y92 S95K61-D97 IonicContact NZ-OD2 3.27Å; K61-D97 PolarHBondContact NZ-OD2 3.39Å; Y92-D97 HydrophobicContact CE2-CB 3.8Å; S95-D97 PolarHBondContact O-N 3.33Å; S95-D97 VanDerWaalsContact O-N 3.16Å; S95-D97 PolarHBondContact OG-N 3.13Å
98Q88.8Confident92.5Very high17 Ų1754.3 Ų54.38%0.07926%0.255CS..THydrogen-bonded Turntrans-126.3-103.1-176.9-60.8-61.8-26.200111Y33 Y92 V93 S95 K96 Q100Y33-Q98 HydrophobicContact CD1-CB 4.43Å; Y33-Q98 HydrophobicContact CG-CB 4.36Å; Y33-Q98 VanDerWaalsContact CG-OE1 3.25Å; Y33-Q98 PolarHBondContact OH-O 3.23Å; Y92-Q98 HydrophobicContact CD1-CG 4.02Å; Y92-Q98 HydrophobicContact CE1-CG 3.55Å; Y92-Q98 PolarHBondContact OH-NE2 3.07Å; V93-Q98 WeakPolarHBondContact O-CB 3.04Å; S95-Q98 PolarHBondContact O-N 3.5Å; S95-Q98 VanDerWaalsContact O-N 3.08Å; K96-Q98 PolarHBondContact O-N 3.19Å; Q98-Q100 VanDerWaalsContact C-N 3.33Å; Q98-Q100 PolarHBondContact O-N 2.72Å
99L88.9Confident92.6Very high7 Ų750.3 Ų50.34%0.03724%0.24CC..THydrogen-bonded Turntrans-69.8-22.7-171.8-72.5167.9000114.8V12 F25 Y33 V93 Y94 S95 T101V12-L99 HydrophobicContact CG1-CD1 3.67Å; F25-L99 HydrophobicContact CD2-CD2 4.18Å; F25-L99 HydrophobicContact CE2-CD2 3.63Å; F25-L99 HydrophobicContact CZ-CD2 3.94Å; Y33-L99 HydrophobicContact CD2-CD2 3.72Å; Y33-L99 HydrophobicContact CD2-CG 4.09Å; Y33-L99 HydrophobicContact CE2-CD2 3.67Å; Y33-L99 HydrophobicContact CE2-CG 4.15Å; V93-L99 HydrophobicContact CG1-CD1 3.53Å; V93-L99 HydrophobicContact CG1-CG 4.33Å; V93-L99 WeakPolarHBondContact O-CB 3.34Å; V93-L99 WeakPolarHBondContact O-CG 3.48Å; V93-L99 PolarHBondContact O-N 2.81Å; V93-L99 VanDerWaalsContact O-N 3.16Å; Y94-L99 HydrophobicContact CD1-CD1 4.42Å; Y94-L99 HydrophobicContact CE1-CD1 4.5Å; S95-L99 PolarHBondContact O-N 3.36Å; L99-T101 PolarHBondContact O-N 3.19Å
100Q91.8Very high92.6Very high143 Ų14350.5 Ų50.567%0.66824%0.241SC*.  trans57.833.4-177.9-61.7175.61500114.1S95 K96 Q98S95-Q100 PolarHBondContact O-N 2.88Å; K96-Q100 WeakPolarHBondContact O-CG 3.48Å; K96-Q100 PolarHBondContact O-NE2 3.33Å; Q98-Q100 VanDerWaalsContact C-N 3.33Å; Q98-Q100 PolarHBondContact O-N 2.72Å
101T91.6Very high92.6Very high29 Ų2950.5 Ų50.518%0.17824%0.241CC..SBendtrans-133.7154.6-177.3520000112.3F25 Y94 L99F25-T101 HydrophobicContact CE1-CG2 4.09Å; F25-T101 HydrophobicContact CZ-CG2 3.59Å; Y94-T101 VanDerWaalsContact O-O 3.06Å; L99-T101 PolarHBondContact O-N 3.19Å
102F92.7Very high92.5Very high140 Ų14045 Ų4561%0.61422%0.215SC*.  trans-82.7137.2175-59.6-75.2000110.9E104 E105 H106F102-E104 PolarHBondContact O-N 2.96Å; F102-E105 HydrophobicContact CB-CG 4.24Å; F102-E105 PolarHBondContact O-N 2.72Å; F102-H106 PolarHBondContact O-CD2 2.76Å
103S93.2Very high92.4Very high18 Ų1843.7 Ų43.713%0.12621%0.211CC..G310 helixtrans-64.8-26.7177.650.10000113.1E105 F132S103-E105 VanDerWaalsContact C-N 3.25Å; S103-E105 PolarHBondContact O-N 3.01Å; S103-F132 WeakPolarHBondContact CB-O 3.37Å; S103-F132 PolarHBondContact OG-O 2.95Å
104E92.8Very high92.2Very high116 Ų11643.8 Ų43.854%0.54221%0.211SC..G310 helixtrans-70-22.2-178.1-47.4-167.814000113.4F102 N133 P135F102-E104 PolarHBondContact O-N 2.96Å; E104-N133 WeakPolarHBondContact CA-O 3.39Å; E104-N133 HydrophobicContact CG-CB 4.09Å; E104-N133 PolarHBondContact OE1-ND2 3.11Å; E104-P135 WeakPolarHBondContact O-CD 3.45Å
105E91.6Very high91.9Very high97 Ų9748 Ų4845%0.45323%0.234SC..G310 helixtrans-89.9-21-173.1-69.6-178.8-178.300112.8N9 F102 S103N9-E105 WeakPolarHBondContact CB-O 3.07Å; N9-E105 PolarHBondContact ND2-O 3.35Å; F102-E105 HydrophobicContact CB-CG 4.24Å; F102-E105 PolarHBondContact O-N 2.72Å; S103-E105 VanDerWaalsContact C-N 3.25Å; S103-E105 PolarHBondContact O-N 3.01Å
106H93.3Very high91.7Very high18 Ų1847.2 Ų47.28%0.08323%0.227CC..SBendtrans-123.5132-166.7-64.5-90.1000112.7Q10 V12 F102 P135Q10-H106 PolarHBondContact O-ND1 2.99Å; V12-H106 HydrophobicContact CG2-CB 3.82Å; F102-H106 PolarHBondContact O-CD2 2.76Å; H106-P135 WeakPolarHBondContact O-CD 3.38Å
107P95.3Very high92Very high1 Ų141.9 Ų41.91%0.00621%0.21CC..  trans-60.2150.6166.5-20.932.9000111.5A8 N9 P11 V12 P135 A136 W357A8-P107 HydrophobicContact CB-CG 4.16Å; N9-P107 VanDerWaalsContact O-CD 3.3Å; N9-P107 WeakPolarHBondContact O-CD 3.35Å; P11-P107 CarbonylContact C-O 3.52Å; P11-P107 VanDerWaalsContact CA-O 3.25Å; P11-P107 WeakPolarHBondContact CA-O 3.44Å; P11-P107 HydrophobicContact CB-CB 4.2Å; P11-P107 HydrophobicContact CG-CB 4.3Å; P11-P107 HydrophobicContact CG-CG 4.43Å; V12-P107 PolarHBondContact N-O 3.3Å; P107-P135 HydrophobicContact CG-CG 4.48Å; P107-A136 WeakPolarHBondContact CA-O 3.32Å; P107-A136 HydrophobicContact CB-CB 4.28Å; P107-W357 HydrophobicContact CB-CE3 4.05Å; P107-W357 HydrophobicContact CB-CH2 4.48Å; P107-W357 HydrophobicContact CB-CZ3 3.87Å; P107-W357 HydrophobicContact CG-CH2 4.1Å; P107-W357 HydrophobicContact CG-CZ3 3.94Å
108V96.3Very high92.4Very high1 Ų140.8 Ų40.81%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-120.4129.1-176.1-173.70000111.5V12 I14 Y94 F128 V134 A136 L137 F138V12-V108 WeakPolarHBondContact O-CA 3.37Å; I14-V108 HydrophobicContact CD1-CG1 4.14Å; I14-V108 HydrophobicContact CG1-CG1 4.41Å; Y94-V108 WeakPolarHBondContact OH-CG2 3.42Å; V108-F128 HydrophobicContact CG1-CD1 4.46Å; V108-F128 HydrophobicContact CG1-CE1 4.13Å; V108-V134 HydrophobicContact CG2-CB 4.19Å; V108-V134 HydrophobicContact CG2-CG1 3.73Å; V108-A136 PolarHBondContact N-O 3.02Å; V108-L137 HydrophobicContact CB-CD1 4.01Å; V108-L137 HydrophobicContact CG1-CD1 4.16Å; V108-L137 CarbonylContact O-C 3.17Å; V108-L137 WeakPolarHBondContact O-CA 3.26Å; V108-F138 PolarHBondContact O-N 2.89Å
109L96.9Very high92.6Very high0 Ų047.9 Ų47.90%024%0.24CC..EExtended strand (participates in β ladder)trans-98.8120.5161.7-169.5156.3000108.6V12 V13 I14 T111 F138 L145 L347 A348 F353V12-L109 PolarHBondContact O-N 2.96Å; V13-L109 HydrophobicContact CG1-CD2 4.13Å; V13-L109 HydrophobicContact CG2-CB 4.25Å; I14-L109 PolarHBondContact N-O 3.16Å; L109-T111 HydrophobicContact CD2-CG2 4.14Å; L109-F138 CarbonylContact C-O 3.54Å; L109-F138 WeakPolarHBondContact CA-O 3.33Å; L109-F138 HydrophobicContact CD1-CD1 4.28Å; L109-F138 HydrophobicContact CG-CD1 4.24Å; L109-L145 HydrophobicContact CD2-CD1 4.01Å; L109-L347 HydrophobicContact CD1-CB 4.47Å; L109-L347 HydrophobicContact CD1-CD2 4.22Å; L109-A348 HydrophobicContact CD1-CB 4.05Å; L109-F353 HydrophobicContact CB-CZ 4.05Å; L109-F353 HydrophobicContact CD1-CE2 3.84Å; L109-F353 HydrophobicContact CD1-CZ 4.06Å; L109-F353 HydrophobicContact CG-CE2 4.48Å; L109-F353 HydrophobicContact CG-CZ 4.4Å
110L96.9Very high92.9Very high5 Ų548.8 Ų48.83%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-112.3139178.2-161.670.5000110I14 N16 A124 F128 L137 F138 I139 S140I14-L110 HydrophobicContact CB-CD1 3.93Å; I14-L110 HydrophobicContact CG2-CD1 4.02Å; I14-L110 WeakPolarHBondContact O-CA 3.14Å; N16-L110 WeakPolarHBondContact ND2-CD1 3.48Å; N16-L110 VanDerWaalsContact ND2-CG 3.26Å; N16-L110 WeakPolarHBondContact ND2-CG 3.49Å; L110-A124 HydrophobicContact CD2-CB 4.2Å; L110-F128 HydrophobicContact CD1-CE2 3.66Å; L110-F128 HydrophobicContact CD1-CZ 3.69Å; L110-F128 HydrophobicContact CD2-CD2 4.05Å; L110-F128 HydrophobicContact CD2-CE2 3.58Å; L110-F128 HydrophobicContact CD2-CZ 4.45Å; L110-F128 HydrophobicContact CG-CE2 4.24Å; L110-L137 HydrophobicContact CB-CD1 4.16Å; L110-F138 PolarHBondContact N-O 2.95Å; L110-I139 HydrophobicContact CB-CG1 4.29Å; L110-I139 HydrophobicContact CD2-CG1 4.48Å; L110-I139 CarbonylContact O-C 3.51Å; L110-I139 VanDerWaalsContact O-CA 3.3Å; L110-I139 WeakPolarHBondContact O-CA 3.43Å; L110-S140 PolarHBondContact O-N 3.4Å
111T95.6Very high92.9Very high1 Ų142.7 Ų42.71%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-98.9148.4172.974.70000112I14 D15 N16 L109 S140 L145 T340I14-T111 PolarHBondContact O-N 2.91Å; I14-T111 VanDerWaalsContact O-N 3.13Å; D15-T111 VanDerWaalsContact CA-OG1 3.27Å; D15-T111 WeakPolarHBondContact CA-OG1 3.23Å; D15-T111 HydrophobicContact CB-CG2 4.05Å; D15-T111 WeakPolarHBondContact OD1-CB 3.38Å; D15-T111 PolarHBondContact OD1-OG1 2.92Å; N16-T111 PolarHBondContact N-OG1 3.32Å; N16-T111 PolarHBondContact ND2-O 3.35Å; L109-T111 HydrophobicContact CD2-CG2 4.14Å; T111-S140 WeakPolarHBondContact CA-O 3.42Å; T111-L145 HydrophobicContact CG2-CD1 3.56Å; T111-T340 HydrophobicContact CG2-CG2 4.18Å
112E93.5Very high93.1Very high12 Ų1244.4 Ų44.46%0.05622%0.222CC..EExtended strand (participates in β ladder)trans-136.5155.7168.567.9173.8-175.800112.1N116 R121 I139 S140 Q142E112-N116 PolarHBondContact OE2-ND2 2.99Å; E112-R121 IonicContact OE1-CZ 3.77Å; E112-R121 IonicContact OE1-NE 3.21Å; E112-R121 PolarHBondContact OE1-NE 3.32Å; E112-R121 IonicContact OE1-NH2 3.16Å; E112-R121 PolarHBondContact OE1-NH2 3.4Å; E112-R121 IonicContact OE2-NE 3.86Å; E112-R121 PolarHBondContact OE2-NE 3.23Å; E112-R121 IonicContact OE2-NH2 2.72Å; E112-I139 HydrophobicContact CB-CG2 4.22Å; E112-I139 HydrophobicContact CG-CG2 3.65Å; E112-S140 PolarHBondContact N-O 3.22Å; E112-Q142 WeakPolarHBondContact O-CG 3.43Å; E112-Q142 PolarHBondContact O-N 2.86Å
113A92.3Very high93.2Very high2 Ų240.9 Ų40.92%0.01721%0.206CC..  trans-67.4149.9171.600000110.6N116 V164A113-N116 WeakPolarHBondContact O-CB 3.37Å; A113-V164 HydrophobicContact CB-CG1 4.12Å
114P90.4Very high93.3Very high2 Ų240.5 Ų40.51%0.01320%0.204CC..THydrogen-bonded Turntrans-65.2153175.229.3-35.6000111.5N116 H166 V168 I180 R182P114-N116 PolarHBondContact O-N 2.69Å; P114-H166 HydrophobicContact CG-CB 3.65Å; P114-H166 VanDerWaalsContact CG-CD2 3.43Å; P114-H166 WeakPolarHBondContact CG-CD2 3.47Å; P114-V168 HydrophobicContact CB-CG2 4.24Å; P114-V168 HydrophobicContact CG-CG2 4.12Å; P114-I180 HydrophobicContact CB-CD1 4.32Å; P114-I180 HydrophobicContact CB-CG2 4.02Å; P114-I180 HydrophobicContact CG-CG2 4.36Å; P114-R182 PolarHBondContact O-NH1 3.41Å
115L88.4Confident93.4Very high103 Ų10335 Ų3554%0.53918%0.178SC..THydrogen-bonded Turntrans57.129.2-178.4-52175.5000113.4I180 R182L115-I180 HydrophobicContact CD1-CB 4.41Å; L115-I180 HydrophobicContact CD1-CG2 3.91Å; L115-I180 HydrophobicContact CG-CG2 4.05Å; L115-R182 HydrophobicContact CD1-CB 4.28Å
116N88.6Confident93.6Very high19 Ų1933.4 Ų33.410%0.10217%0.171CC..  trans-67.9141.5172.8-167.133.9000110.6E112 A113 P114 S118E112-N116 PolarHBondContact OE2-ND2 2.99Å; A113-N116 WeakPolarHBondContact O-CB 3.37Å; P114-N116 PolarHBondContact O-N 2.69Å; N116-S118 PolarHBondContact O-N 2.92Å
117P90.9Very high93.8Very high62 Ų6232.6 Ų32.640%0.40317%0.167SC..  trans-57.7133.4178.2-27.536.8000112.4K119 N120 R121P117-K119 PolarHBondContact O-N 3.16Å; P117-K119 VanDerWaalsContact O-N 3.13Å; P117-N120 WeakPolarHBondContact O-CB 3.46Å; P117-N120 PolarHBondContact O-N 3.45Å; P117-R121 PolarHBondContact O-N 2.76Å
118S91.1Very high93.9Very high64 Ų6432.5 Ų32.545%0.44817%0.167SC..Hα-helixtrans-54.9-35.7179.7-56.10000112.9N116 N120 R121 E122N116-S118 PolarHBondContact O-N 2.92Å; S118-N120 VanDerWaalsContact C-N 3.27Å; S118-N120 PolarHBondContact O-N 3.38Å; S118-R121 WeakPolarHBondContact O-CB 3.43Å; S118-R121 PolarHBondContact O-N 3.43Å; S118-R121 VanDerWaalsContact O-N 3.17Å; S118-E122 VanDerWaalsContact O-CG 3.31Å; S118-E122 WeakPolarHBondContact O-CG 3.36Å; S118-E122 PolarHBondContact O-N 3.08Å
119K93.6Very high93.8Very high165 Ų16532.6 Ų32.672%0.71717%0.167SC*.Hα-helixtrans-59.6-36.4175.7-66.9-173.4178-176.50113P117 E122 K123P117-K119 PolarHBondContact O-N 3.16Å; P117-K119 VanDerWaalsContact O-N 3.13Å; K119-E122 PolarHBondContact O-N 3.18Å; K119-K123 WeakPolarHBondContact O-CB 3.3Å; K119-K123 PolarHBondContact O-N 3.25Å
120N93.4Very high93.8Very high27 Ų2738.6 Ų38.614%0.14420%0.195CC..Hα-helixtrans-72.6-37.5178.4-77.736.5000110.8V79 V80 W83 P117 S118 E122 K123 A124V79-N120 WeakPolarHBondContact CG1-ND2 3.42Å; V80-N120 PolarHBondContact O-ND2 3.2Å; W83-N120 HydrophobicContact CH2-CB 4.42Å; W83-N120 VanDerWaalsContact CH2-O 3.25Å; W83-N120 WeakPolarHBondContact CH2-O 3.48Å; W83-N120 HydrophobicContact CZ2-CB 4Å; P117-N120 WeakPolarHBondContact O-CB 3.46Å; P117-N120 PolarHBondContact O-N 3.45Å; S118-N120 VanDerWaalsContact C-N 3.27Å; S118-N120 PolarHBondContact O-N 3.38Å; N120-E122 VanDerWaalsContact C-N 3.34Å; N120-K123 PolarHBondContact O-N 2.73Å; N120-A124 WeakPolarHBondContact O-CB 3.2Å; N120-A124 PolarHBondContact O-N 3.43Å
121R93.4Very high93.7Very high15 Ų1542.7 Ų42.76%0.05722%0.221CC..Hα-helixtrans-61.7-44.2172.7-169.5-174.1-60.5123.16.4111.5E112 P117 S118 A124 A125 I139 I371 H372E112-R121 IonicContact OE1-CZ 3.77Å; E112-R121 IonicContact OE1-NE 3.21Å; E112-R121 PolarHBondContact OE1-NE 3.32Å; E112-R121 IonicContact OE1-NH2 3.16Å; E112-R121 PolarHBondContact OE1-NH2 3.4Å; E112-R121 IonicContact OE2-NE 3.86Å; E112-R121 PolarHBondContact OE2-NE 3.23Å; E112-R121 IonicContact OE2-NH2 2.72Å; P117-R121 PolarHBondContact O-N 2.76Å; S118-R121 WeakPolarHBondContact O-CB 3.43Å; S118-R121 PolarHBondContact O-N 3.43Å; S118-R121 VanDerWaalsContact O-N 3.17Å; R121-A124 PolarHBondContact O-N 3.13Å; R121-A125 PolarHBondContact O-N 3.31Å; R121-I139 HydrophobicContact CG-CD1 3.5Å; R121-I139 VanDerWaalsContact CG-CD1 3.5Å; R121-I139 HydrophobicContact CG-CG2 4.49Å; R121-I371 HydrophobicContact CG-CG2 4.01Å; R121-H372 PolarHBondContact NH1-ND1 3.12Å
122E94.7Very high93.7Very high65 Ų6543.5 Ų43.530%0.30422%0.224SC..Hα-helixtrans-61.1-47.7175.7-69.4174.3-167.400111.7S118 K119 N120 A124 A125 E126 H372S118-E122 VanDerWaalsContact O-CG 3.31Å; S118-E122 WeakPolarHBondContact O-CG 3.36Å; S118-E122 PolarHBondContact O-N 3.08Å; K119-E122 PolarHBondContact O-N 3.18Å; N120-E122 VanDerWaalsContact C-N 3.34Å; E122-A124 VanDerWaalsContact C-N 3.33Å; E122-A124 PolarHBondContact O-N 2.96Å; E122-A125 WeakPolarHBondContact O-CB 3.47Å; E122-A125 PolarHBondContact O-N 3.07Å; E122-A125 VanDerWaalsContact O-N 3.14Å; E122-E126 PolarHBondContact O-N 2.87Å; E122-H372 IonicContact OE1-CD2 3.59Å; E122-H372 IonicContact OE1-CE1 2.73Å; E122-H372 IonicContact OE1-NE2 3.31Å; E122-H372 PolarHBondContact OE1-NE2 2.91Å
123K95.3Very high93.7Very high66 Ų6645.5 Ų45.529%0.28724%0.235SC..Hα-helixtrans-64.9-36.8179.4-172.658.4178.7178.30112.4W83 K119 N120 E126 V127W83-K123 HydrophobicContact CD2-CB 4.43Å; W83-K123 HydrophobicContact CD2-CG 3.6Å; W83-K123 HydrophobicContact CE3-CB 4.47Å; W83-K123 HydrophobicContact CE3-CG 3.73Å; W83-K123 HydrophobicContact CG-CG 4.23Å; W83-K123 HydrophobicContact CH2-CB 3.79Å; W83-K123 HydrophobicContact CH2-CG 3.97Å; W83-K123 HydrophobicContact CZ2-CB 3.72Å; W83-K123 HydrophobicContact CZ2-CG 3.83Å; W83-K123 HydrophobicContact CZ3-CB 4.15Å; W83-K123 HydrophobicContact CZ3-CG 3.9Å; K119-K123 WeakPolarHBondContact O-CB 3.3Å; K119-K123 PolarHBondContact O-N 3.25Å; N120-K123 PolarHBondContact O-N 2.73Å; K123-E126 WeakPolarHBondContact CD-OE2 3.39Å; K123-E126 IonicContact NZ-OE1 2.76Å; K123-E126 PolarHBondContact NZ-OE1 2.82Å; K123-E126 IonicContact NZ-OE2 3.3Å; K123-E126 PolarHBondContact NZ-OE2 3.42Å; K123-E126 PolarHBondContact O-N 3.23Å; K123-V127 VanDerWaalsContact O-CG2 3.31Å; K123-V127 WeakPolarHBondContact O-CG2 3.47Å; K123-V127 PolarHBondContact O-N 3.05Å
124A95.3Very high93.9Very high9 Ų945.4 Ų45.47%0.07423%0.234CC..Hα-helixtrans-61.8-45.7172.200000111.1W83 W90 L110 N120 R121 E122 E126 V127 F128W83-A124 HydrophobicContact CH2-CB 4.13Å; W83-A124 HydrophobicContact CZ3-CB 4.16Å; W90-A124 HydrophobicContact CH2-CB 4.35Å; L110-A124 HydrophobicContact CD2-CB 4.2Å; N120-A124 WeakPolarHBondContact O-CB 3.2Å; N120-A124 PolarHBondContact O-N 3.43Å; R121-A124 PolarHBondContact O-N 3.13Å; E122-A124 VanDerWaalsContact C-N 3.33Å; E122-A124 PolarHBondContact O-N 2.96Å; A124-E126 PolarHBondContact O-N 3.27Å; A124-V127 PolarHBondContact O-N 3.26Å; A124-F128 VanDerWaalsContact O-CD2 3.26Å; A124-F128 WeakPolarHBondContact O-CD2 3.22Å; A124-F128 PolarHBondContact O-N 2.83Å
125A95.5Very high94.1Very high0 Ų046.9 Ų46.90%024%0.244CC..Hα-helixtrans-61.7-43.8176.700000112.4R121 E122 V127 F128 F129 L137 Y363 I371R121-A125 PolarHBondContact O-N 3.31Å; E122-A125 WeakPolarHBondContact O-CB 3.47Å; E122-A125 PolarHBondContact O-N 3.07Å; E122-A125 VanDerWaalsContact O-N 3.14Å; A125-V127 PolarHBondContact O-N 2.88Å; A125-F128 PolarHBondContact O-N 2.91Å; A125-F129 HydrophobicContact CB-CD2 4.34Å; A125-F129 HydrophobicContact CB-CE2 4.47Å; A125-F129 VanDerWaalsContact O-CD2 3.25Å; A125-F129 WeakPolarHBondContact O-CD2 3.3Å; A125-F129 PolarHBondContact O-N 3.07Å; A125-L137 HydrophobicContact CB-CD2 3.89Å; A125-Y363 HydrophobicContact CB-CE2 4.23Å; A125-I371 HydrophobicContact CB-CD1 4Å; A125-I371 HydrophobicContact CB-CG1 3.97Å
126E95.7Very high94.4Very high64 Ų6442 Ų4230%0.29922%0.218SC..Hα-helixtrans-54.9-50.1174.7-171.8-165.2138.700111E122 K123 A124 F128 F129 E130E122-E126 PolarHBondContact O-N 2.87Å; K123-E126 WeakPolarHBondContact CD-OE2 3.39Å; K123-E126 IonicContact NZ-OE1 2.76Å; K123-E126 PolarHBondContact NZ-OE1 2.82Å; K123-E126 IonicContact NZ-OE2 3.3Å; K123-E126 PolarHBondContact NZ-OE2 3.42Å; K123-E126 PolarHBondContact O-N 3.23Å; A124-E126 PolarHBondContact O-N 3.27Å; E126-F128 PolarHBondContact O-N 2.72Å; E126-F129 PolarHBondContact O-N 2.76Å; E126-E130 HydrophobicContact CG-CG 4.3Å; E126-E130 WeakPolarHBondContact O-CB 3.45Å; E126-E130 WeakPolarHBondContact O-CG 3.3Å; E126-E130 PolarHBondContact O-N 3.47Å
127V96.7Very high94.8Very high1 Ų141.1 Ų41.11%0.00621%0.214CC..Iπ-helixtrans-59.3-46.7178168.30000111.6E87 W90 K123 A124 A125 T131 F132E87-V127 HydrophobicContact CG-CG1 3.64Å; E87-V127 HydrophobicContact CG-CG2 3.99Å; E87-V127 VanDerWaalsContact OE1-CG2 3.29Å; E87-V127 WeakPolarHBondContact OE1-CG2 3.46Å; W90-V127 HydrophobicContact CE3-CG1 3.78Å; W90-V127 HydrophobicContact CZ3-CB 4.22Å; W90-V127 HydrophobicContact CZ3-CG1 3.74Å; K123-V127 VanDerWaalsContact O-CG2 3.31Å; K123-V127 WeakPolarHBondContact O-CG2 3.47Å; K123-V127 PolarHBondContact O-N 3.05Å; A124-V127 PolarHBondContact O-N 3.26Å; A125-V127 PolarHBondContact O-N 2.88Å; V127-T131 WeakPolarHBondContact O-CA 3.26Å; V127-T131 VanDerWaalsContact O-CB 3.23Å; V127-T131 WeakPolarHBondContact O-CB 3.12Å; V127-T131 PolarHBondContact O-N 3.04Å; V127-F132 HydrophobicContact CG1-CD2 3.75Å; V127-F132 HydrophobicContact CG1-CE2 3.56Å; V127-F132 WeakPolarHBondContact O-CD2 3.41Å; V127-F132 PolarHBondContact O-N 3.37Å; V127-F132 VanDerWaalsContact O-N 3.08Å
128F96.6Very high95Very high0 Ų039.2 Ų39.20%020%0.199CC..Iπ-helixtrans-68.1-40.9-178.7-84.2-75000112.9I14 W90 Y94 V108 L110 A124 A125 E126 F132 N133 V134 L137I14-F128 HydrophobicContact CD1-CE1 4.18Å; I14-F128 HydrophobicContact CD1-CZ 4.22Å; W90-F128 AromaticContact CD2-CE2 3.93Å; W90-F128 HydrophobicContact CD2-CE2 3.93Å; W90-F128 AromaticContact CD2-CZ 3.8Å; W90-F128 HydrophobicContact CD2-CZ 3.8Å; W90-F128 AromaticContact CE2-CE2 3.89Å; W90-F128 AromaticContact CE2-CZ 3.93Å; W90-F128 HydrophobicContact CE3-CE2 4.04Å; W90-F128 HydrophobicContact CE3-CZ 4.24Å; W90-F128 AromaticContact CG-CZ 3.95Å; W90-F128 HydrophobicContact CG-CZ 3.95Å; W90-F128 HydrophobicContact CH2-CE2 4.07Å; W90-F128 AromaticContact CZ2-CE2 3.97Å; W90-F128 HydrophobicContact CZ2-CE2 3.97Å; W90-F128 HydrophobicContact CZ2-CZ 4.46Å; W90-F128 HydrophobicContact CZ3-CE2 4.11Å; Y94-F128 HydrophobicContact CE2-CE1 4.33Å; V108-F128 HydrophobicContact CG1-CD1 4.46Å; V108-F128 HydrophobicContact CG1-CE1 4.13Å; L110-F128 HydrophobicContact CD1-CE2 3.66Å; L110-F128 HydrophobicContact CD1-CZ 3.69Å; L110-F128 HydrophobicContact CD2-CD2 4.05Å; L110-F128 HydrophobicContact CD2-CE2 3.58Å; L110-F128 HydrophobicContact CD2-CZ 4.45Å; L110-F128 HydrophobicContact CG-CE2 4.24Å; A124-F128 VanDerWaalsContact O-CD2 3.26Å; A124-F128 WeakPolarHBondContact O-CD2 3.22Å; A124-F128 PolarHBondContact O-N 2.83Å; A125-F128 PolarHBondContact O-N 2.91Å; E126-F128 PolarHBondContact O-N 2.72Å; F128-F132 HydrophobicContact CD1-CB 4.49Å; F128-F132 HydrophobicContact CD1-CD2 4.21Å; F128-F132 CarbonylContact O-C 3.59Å; F128-F132 WeakPolarHBondContact O-CB 3.43Å; F128-N133 PolarHBondContact O-N 2.8Å; F128-N133 VanDerWaalsContact O-N 3.1Å; F128-V134 HydrophobicContact CB-CG1 4.4Å; F128-V134 HydrophobicContact CB-CG2 3.99Å; F128-V134 HydrophobicContact CD1-CG1 3.97Å; F128-V134 WeakPolarHBondContact O-CG1 3.35Å; F128-V134 WeakPolarHBondContact O-CG2 3.34Å; F128-V134 PolarHBondContact O-N 3.04Å; F128-V134 VanDerWaalsContact O-N 3.07Å; F128-L137 HydrophobicContact CB-CD1 4.37Å; F128-L137 HydrophobicContact CB-CD2 4.14Å; F128-L137 HydrophobicContact CD2-CD1 4.39Å; F128-L137 HydrophobicContact CG-CD1 4.27Å
129F96Very high95.2Very high2 Ų236.4 Ų36.41%0.00918%0.179CC..Iπ-helixtrans-81.1-37.8-179.3-74.1-60.2000114A125 E126 N133 V134 L137 V358 K360 Y363 I371A125-F129 HydrophobicContact CB-CD2 4.34Å; A125-F129 HydrophobicContact CB-CE2 4.47Å; A125-F129 VanDerWaalsContact O-CD2 3.25Å; A125-F129 WeakPolarHBondContact O-CD2 3.3Å; A125-F129 PolarHBondContact O-N 3.07Å; E126-F129 PolarHBondContact O-N 2.76Å; F129-N133 WeakPolarHBondContact O-CA 3.21Å; F129-V134 HydrophobicContact CD1-CG2 3.78Å; F129-V134 HydrophobicContact CE1-CG2 3.92Å; F129-V134 HydrophobicContact CG-CG2 4.46Å; F129-L137 HydrophobicContact CD2-CD2 4.49Å; F129-L137 HydrophobicContact CE1-CB 4.18Å; F129-L137 HydrophobicContact CE2-CB 3.84Å; F129-L137 HydrophobicContact CE2-CD2 3.99Å; F129-L137 HydrophobicContact CZ-CB 3.5Å; F129-V358 HydrophobicContact CZ-CB 4.47Å; F129-V358 HydrophobicContact CZ-CG1 4.27Å; F129-V358 WeakPolarHBondContact CZ-O 3.22Å; F129-K360 HydrophobicContact CD1-CB 3.98Å; F129-K360 HydrophobicContact CD1-CG 3.92Å; F129-K360 HydrophobicContact CE1-CB 4.08Å; F129-Y363 HydrophobicContact CB-CD1 3.71Å; F129-Y363 HydrophobicContact CB-CE1 3.82Å; F129-Y363 HydrophobicContact CB-CG 4.44Å; F129-Y363 AromaticContact CD2-CD1 3.53Å; F129-Y363 HydrophobicContact CD2-CD1 3.53Å; F129-Y363 AromaticContact CD2-CD2 3.66Å; F129-Y363 HydrophobicContact CD2-CD2 3.66Å; F129-Y363 AromaticContact CD2-CE1 3.91Å; F129-Y363 HydrophobicContact CD2-CE1 3.91Å; F129-Y363 HydrophobicContact CD2-CE2 4.02Å; F129-Y363 AromaticContact CD2-CG 3.39Å; F129-Y363 HydrophobicContact CD2-CG 3.39Å; F129-Y363 HydrophobicContact CE2-CD1 4.27Å; F129-Y363 AromaticContact CE2-CD2 3.78Å; F129-Y363 HydrophobicContact CE2-CD2 3.78Å; F129-Y363 HydrophobicContact CE2-CE2 4.45Å; F129-Y363 AromaticContact CE2-CG 3.67Å; F129-Y363 HydrophobicContact CE2-CG 3.67Å; F129-Y363 AromaticContact CG-CD1 3.7Å; F129-Y363 HydrophobicContact CG-CD1 3.7Å; F129-Y363 HydrophobicContact CG-CE1 4.18Å; F129-Y363 AromaticContact CG-CG 3.94Å; F129-Y363 HydrophobicContact CG-CG 3.94Å; F129-Y363 HydrophobicContact CZ-CG 4.4Å; F129-I371 HydrophobicContact CE2-CD1 3.97Å
130E95.1Very high95.2Very high127 Ų12729 Ų2959%0.59315%0.148SC*.Iπ-helixtrans-92.6-43.2-174.1-59-176.4-169.500112.4E126E126-E130 HydrophobicContact CG-CG 4.3Å; E126-E130 WeakPolarHBondContact O-CB 3.45Å; E126-E130 WeakPolarHBondContact O-CG 3.3Å; E126-E130 PolarHBondContact O-N 3.47Å
131T95.4Very high95.1Very high91 Ų9128.7 Ų28.756%0.55815%0.146SC*.Iπ-helixtrans-87.9-46.5-177.6-530000111.9V127V127-T131 WeakPolarHBondContact O-CA 3.26Å; V127-T131 VanDerWaalsContact O-CB 3.23Å; V127-T131 WeakPolarHBondContact O-CB 3.12Å; V127-T131 PolarHBondContact O-N 3.04Å
132F94.9Very high95.1Very high18 Ų1828.8 Ų28.88%0.07915%0.147CC..SBendtrans-90.5-9.8-179.4-68.8-71.9000114.1W90 Q91 Y94 S103 V127 F128 V134W90-F132 HydrophobicContact CB-CE2 3.86Å; W90-F132 HydrophobicContact CB-CZ 3.69Å; W90-F132 HydrophobicContact CE3-CE2 4.26Å; Q91-F132 HydrophobicContact CB-CE1 4.1Å; Q91-F132 HydrophobicContact CB-CZ 4.19Å; Y94-F132 HydrophobicContact CD2-CD1 4.45Å; S103-F132 WeakPolarHBondContact CB-O 3.37Å; S103-F132 PolarHBondContact OG-O 2.95Å; V127-F132 HydrophobicContact CG1-CD2 3.75Å; V127-F132 HydrophobicContact CG1-CE2 3.56Å; V127-F132 WeakPolarHBondContact O-CD2 3.41Å; V127-F132 PolarHBondContact O-N 3.37Å; V127-F132 VanDerWaalsContact O-N 3.08Å; F128-F132 HydrophobicContact CD1-CB 4.49Å; F128-F132 HydrophobicContact CD1-CD2 4.21Å; F128-F132 CarbonylContact O-C 3.59Å; F128-F132 WeakPolarHBondContact O-CB 3.43Å; F132-V134 VanDerWaalsContact C-N 3.26Å; F132-V134 HydrophobicContact CB-CG1 4.04Å; F132-V134 PolarHBondContact O-N 3.29Å
133N95.3Very high95.1Very high53 Ų5325.7 Ų25.728%0.28313%0.133SC..  trans53.640.6176-168.333.6000113.2E104 F128 F129 K360E104-N133 WeakPolarHBondContact CA-O 3.39Å; E104-N133 HydrophobicContact CG-CB 4.09Å; E104-N133 PolarHBondContact OE1-ND2 3.11Å; F128-N133 PolarHBondContact O-N 2.8Å; F128-N133 VanDerWaalsContact O-N 3.1Å; F129-N133 WeakPolarHBondContact O-CA 3.21Å; N133-K360 WeakPolarHBondContact OD1-CE 3.18Å; N133-K360 PolarHBondContact OD1-NZ 2.96Å
134V95.7Very high95Very high0 Ų023.4 Ų23.40%012%0.124CC..  trans-68145.1-177.4-57.50000112V108 F128 F129 F132 L137V108-V134 HydrophobicContact CG2-CB 4.19Å; V108-V134 HydrophobicContact CG2-CG1 3.73Å; F128-V134 HydrophobicContact CB-CG1 4.4Å; F128-V134 HydrophobicContact CB-CG2 3.99Å; F128-V134 HydrophobicContact CD1-CG1 3.97Å; F128-V134 WeakPolarHBondContact O-CG1 3.35Å; F128-V134 WeakPolarHBondContact O-CG2 3.34Å; F128-V134 PolarHBondContact O-N 3.04Å; F128-V134 VanDerWaalsContact O-N 3.07Å; F129-V134 HydrophobicContact CD1-CG2 3.78Å; F129-V134 HydrophobicContact CE1-CG2 3.92Å; F129-V134 HydrophobicContact CG-CG2 4.46Å; F132-V134 VanDerWaalsContact C-N 3.26Å; F132-V134 HydrophobicContact CB-CG1 4.04Å; F132-V134 PolarHBondContact O-N 3.29Å; V134-L137 HydrophobicContact CG2-CB 4.4Å
135P94.8Very high95Very high33 Ų3323 Ų2321%0.21412%0.121CC..SBendtrans-72.4-33.9-178.827.3-33.6000112.6E104 H106 P107 K360E104-P135 WeakPolarHBondContact O-CD 3.45Å; H106-P135 WeakPolarHBondContact O-CD 3.38Å; P107-P135 HydrophobicContact CG-CG 4.48Å; P135-K360 PolarHBondContact O-N 2.99Å
136A94.8Very high94.9Very high1 Ų123 Ų231%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-155.5149176.900000111.5P107 V108 W357 V358P107-A136 WeakPolarHBondContact CA-O 3.32Å; P107-A136 HydrophobicContact CB-CB 4.28Å; V108-A136 PolarHBondContact N-O 3.02Å; A136-W357 HydrophobicContact CB-CB 4.12Å; A136-W357 HydrophobicContact CB-CD2 3.88Å; A136-W357 HydrophobicContact CB-CG 3.68Å; A136-V358 CarbonylContact C-O 3.56Å; A136-V358 WeakPolarHBondContact CA-O 3.42Å
137L95.6Very high94.9Very high1 Ų120.1 Ų20.11%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-130.9136.5-179.5-178.766.5000110.5V108 L110 A125 F128 F129 V134 I139 V358V108-L137 HydrophobicContact CB-CD1 4.01Å; V108-L137 HydrophobicContact CG1-CD1 4.16Å; V108-L137 CarbonylContact O-C 3.17Å; V108-L137 WeakPolarHBondContact O-CA 3.26Å; L110-L137 HydrophobicContact CB-CD1 4.16Å; A125-L137 HydrophobicContact CB-CD2 3.89Å; F128-L137 HydrophobicContact CB-CD1 4.37Å; F128-L137 HydrophobicContact CB-CD2 4.14Å; F128-L137 HydrophobicContact CD2-CD1 4.39Å; F128-L137 HydrophobicContact CG-CD1 4.27Å; F129-L137 HydrophobicContact CD2-CD2 4.49Å; F129-L137 HydrophobicContact CE1-CB 4.18Å; F129-L137 HydrophobicContact CE2-CB 3.84Å; F129-L137 HydrophobicContact CE2-CD2 3.99Å; F129-L137 HydrophobicContact CZ-CB 3.5Å; V134-L137 HydrophobicContact CG2-CB 4.4Å; L137-I139 HydrophobicContact CD2-CD1 4.24Å; L137-I139 HydrophobicContact CD2-CG1 4.29Å; L137-I139 HydrophobicContact CG-CG1 4.25Å; L137-V358 PolarHBondContact N-O 3.2Å; L137-V358 PolarHBondContact O-N 3.3Å
138F95.5Very high94.6Very high21 Ų2124.1 Ų24.19%0.09212%0.123CC..EExtended strand (participates in β ladder)trans-129.2128.1167.4-176.3-111.2000110V108 L109 L110 L347 F353 M356 W357V108-F138 PolarHBondContact O-N 2.89Å; L109-F138 CarbonylContact C-O 3.54Å; L109-F138 WeakPolarHBondContact CA-O 3.33Å; L109-F138 HydrophobicContact CD1-CD1 4.28Å; L109-F138 HydrophobicContact CG-CD1 4.24Å; L110-F138 PolarHBondContact N-O 2.95Å; F138-L347 HydrophobicContact CE1-CD2 3.87Å; F138-F353 HydrophobicContact CB-CE2 3.87Å; F138-F353 HydrophobicContact CB-CZ 3.92Å; F138-F353 AromaticContact CD1-CE2 3.63Å; F138-F353 HydrophobicContact CD1-CE2 3.63Å; F138-F353 HydrophobicContact CD1-CZ 4.4Å; F138-F353 HydrophobicContact CE1-CE2 4.42Å; F138-F353 AromaticContact CG-CE2 3.91Å; F138-F353 HydrophobicContact CG-CE2 3.91Å; F138-F353 HydrophobicContact CG-CZ 4.46Å; F138-M356 HydrophobicContact CD2-CB 4.11Å; F138-M356 VanDerWaalsContact CD2-O 3.27Å; F138-M356 WeakPolarHBondContact CD2-O 3.44Å; F138-M356 HydrophobicContact CE2-CB 3.87Å; F138-M356 HydrophobicContact CZ-CB 4.32Å; F138-W357 HydrophobicContact CB-CB 4.08Å
139I95.3Very high94.5Very high5 Ų525.5 Ų25.53%0.02614%0.135CC..EExtended strand (participates in β ladder)trans-105.7129.2177.3-57.8176.4000107.8L110 E112 R121 L137 I371 T375L110-I139 HydrophobicContact CB-CG1 4.29Å; L110-I139 HydrophobicContact CD2-CG1 4.48Å; L110-I139 CarbonylContact O-C 3.51Å; L110-I139 VanDerWaalsContact O-CA 3.3Å; L110-I139 WeakPolarHBondContact O-CA 3.43Å; E112-I139 HydrophobicContact CB-CG2 4.22Å; E112-I139 HydrophobicContact CG-CG2 3.65Å; R121-I139 HydrophobicContact CG-CD1 3.5Å; R121-I139 VanDerWaalsContact CG-CD1 3.5Å; R121-I139 HydrophobicContact CG-CG2 4.49Å; L137-I139 HydrophobicContact CD2-CD1 4.24Å; L137-I139 HydrophobicContact CD2-CG1 4.29Å; L137-I139 HydrophobicContact CG-CG1 4.25Å; I139-I371 HydrophobicContact CD1-CG2 4.18Å; I139-T375 HydrophobicContact CB-CG2 4.49Å
140S93.4Very high94.2Very high10 Ų1027.5 Ų27.57%0.0715%0.147CC..EExtended strand (participates in β ladder)trans-130.9151.8-177.3-167.70000112.6L110 T111 E112 L145L110-S140 PolarHBondContact O-N 3.4Å; T111-S140 WeakPolarHBondContact CA-O 3.42Å; E112-S140 PolarHBondContact N-O 3.22Å; S140-L145 WeakPolarHBondContact OG-CD2 3.31Å
141M92.7Very high94Very high20 Ų2025 Ų2510%0.09916%0.155CC..EExtended strand (participates in β ladder)trans-75.6133176.1-72.9178.2-88.100111.4A143 V144 L145 A175 F376M141-A143 VanDerWaalsContact C-N 3.34Å; M141-A143 PolarHBondContact O-N 2.87Å; M141-V144 HydrophobicContact CB-CB 4.42Å; M141-V144 HydrophobicContact CB-CG2 4.09Å; M141-V144 HydrophobicContact CE-CG2 4.28Å; M141-V144 PolarHBondContact O-N 3.42Å; M141-L145 PolarHBondContact O-N 2.98Å; M141-A175 HydrophobicContact CE-CB 4.13Å; M141-F376 HydrophobicContact CE-CD1 3.81Å; M141-F376 HydrophobicContact CE-CE1 3.09Å; M141-F376 HydrophobicContact CE-CZ 3.69Å; M141-F376 HydrophobicContact CG-CE1 4.4Å; M141-F376 HydrophobicContact CG-CZ 4.13Å; M141-F376 HydrophobicContact SD-CE1 3.47Å; M141-F376 WeakPolarHBondContact SD-CE1 3.47Å; M141-F376 HydrophobicContact SD-CZ 3.75Å
142Q93.6Very high93.9Very high17 Ų1723.5 Ų23.58%0.07914%0.139CC..Hα-helixtrans-55.2-46-178.4-67.4171.7-19.900113N16 E112 V144 L145 S146 T340N16-Q142 PolarHBondContact O-NE2 3.27Å; N16-Q142 VanDerWaalsContact O-NE2 3.12Å; E112-Q142 WeakPolarHBondContact O-CG 3.43Å; E112-Q142 PolarHBondContact O-N 2.86Å; Q142-V144 PolarHBondContact O-N 3Å; Q142-L145 PolarHBondContact O-N 2.89Å; Q142-S146 PolarHBondContact O-N 2.88Å; Q142-T340 HydrophobicContact CB-CG2 3.7Å; Q142-T340 HydrophobicContact CG-CG2 3.81Å
143A93.6Very high93.7Very high0 Ų026.3 Ų26.30%016%0.157CC..Hα-helixtrans-58.7-43.8179.400000113.3M141 L145 S146 L147 V157 V168M141-A143 VanDerWaalsContact C-N 3.34Å; M141-A143 PolarHBondContact O-N 2.87Å; A143-L145 VanDerWaalsContact C-N 3.33Å; A143-L145 PolarHBondContact O-N 2.89Å; A143-S146 PolarHBondContact O-N 3.21Å; A143-S146 PolarHBondContact O-OG 2.96Å; A143-L147 PolarHBondContact O-N 3.46Å; A143-L147 VanDerWaalsContact O-N 3.07Å; A143-V157 HydrophobicContact CB-CB 3.98Å; A143-V157 HydrophobicContact CB-CG1 4.08Å; A143-V157 HydrophobicContact CB-CG2 4.49Å; A143-V157 WeakPolarHBondContact O-CG2 3.29Å; A143-V168 HydrophobicContact CB-CB 3.59Å; A143-V168 HydrophobicContact CB-CG1 4.03Å; A143-V168 HydrophobicContact CB-CG2 3.8Å
144V93.8Very high93.7Very high18 Ų1825.1 Ų25.111%0.10915%0.152CC..Hα-helixtrans-61.7-44.9-179.2174.40000110.5M141 Q142 S146 L147 Y148 I170 A175M141-V144 HydrophobicContact CB-CB 4.42Å; M141-V144 HydrophobicContact CB-CG2 4.09Å; M141-V144 HydrophobicContact CE-CG2 4.28Å; M141-V144 PolarHBondContact O-N 3.42Å; Q142-V144 PolarHBondContact O-N 3Å; V144-S146 PolarHBondContact O-N 3.39Å; V144-L147 PolarHBondContact O-N 2.89Å; V144-Y148 HydrophobicContact CG1-CD2 3.76Å; V144-Y148 HydrophobicContact CG1-CE2 3.36Å; V144-Y148 WeakPolarHBondContact O-CD2 3.25Å; V144-Y148 PolarHBondContact O-N 2.93Å; V144-Y148 VanDerWaalsContact O-N 3.13Å; V144-I170 HydrophobicContact CB-CD1 4.45Å; V144-I170 HydrophobicContact CG2-CD1 4.02Å; V144-A175 HydrophobicContact CG2-CB 3.93Å
145L94.8Very high93.7Very high0 Ų025.1 Ų25.10%015%0.152CC..Hα-helixtrans-62.8-44176.4-58.8-178.6000111.8L109 T111 S140 M141 Q142 A143 L147 Y148 A149 T340 G343 L347L109-L145 HydrophobicContact CD2-CD1 4.01Å; T111-L145 HydrophobicContact CG2-CD1 3.56Å; S140-L145 WeakPolarHBondContact OG-CD2 3.31Å; M141-L145 PolarHBondContact O-N 2.98Å; Q142-L145 PolarHBondContact O-N 2.89Å; A143-L145 VanDerWaalsContact C-N 3.33Å; A143-L145 PolarHBondContact O-N 2.89Å; L145-L147 VanDerWaalsContact C-N 3.27Å; L145-L147 PolarHBondContact O-N 3.31Å; L145-Y148 WeakPolarHBondContact O-CB 3.48Å; L145-Y148 PolarHBondContact O-N 2.88Å; L145-Y148 VanDerWaalsContact O-N 3.16Å; L145-A149 PolarHBondContact O-N 2.92Å; L145-T340 HydrophobicContact CB-CG2 4.32Å; L145-T340 WeakPolarHBondContact CB-O 3.49Å; L145-T340 HydrophobicContact CD1-CG2 4.32Å; L145-G343 VanDerWaalsContact O-CA 3.27Å; L145-G343 WeakPolarHBondContact O-CA 3.42Å; L145-L347 HydrophobicContact CD2-CB 4.31Å; L145-L347 HydrophobicContact CD2-CD2 3.63Å
146S94.6Very high93.8Very high1 Ų123.5 Ų23.51%0.00714%0.142CC..Hα-helixtrans-61.7-34.4179.676.20000113Q142 A143 V144 V157Q142-S146 PolarHBondContact O-N 2.88Å; A143-S146 PolarHBondContact O-N 3.21Å; A143-S146 PolarHBondContact O-OG 2.96Å; V144-S146 PolarHBondContact O-N 3.39Å; S146-V157 WeakPolarHBondContact OG-CG1 3.45Å
147L94.1Very high93.9Very high3 Ų323.5 Ų23.52%0.01614%0.141CC..Hα-helixtrans-69.1-44.2175.2-170.567.3000110.9A143 V144 L145 A149 T150 R152 V157 I170 V299A143-L147 PolarHBondContact O-N 3.46Å; A143-L147 VanDerWaalsContact O-N 3.07Å; V144-L147 PolarHBondContact O-N 2.89Å; L145-L147 VanDerWaalsContact C-N 3.27Å; L145-L147 PolarHBondContact O-N 3.31Å; L147-A149 VanDerWaalsContact C-N 3.28Å; L147-A149 PolarHBondContact O-N 2.99Å; L147-T150 PolarHBondContact O-N 2.82Å; L147-T150 PolarHBondContact O-OG1 3.34Å; L147-R152 HydrophobicContact CD1-CB 3.77Å; L147-R152 HydrophobicContact CG-CB 4.11Å; L147-R152 PolarHBondContact O-N 2.94Å; L147-V157 HydrophobicContact CB-CG2 3.87Å; L147-V157 HydrophobicContact CD1-CG2 4.26Å; L147-I170 HydrophobicContact CB-CD1 3.97Å; L147-I170 HydrophobicContact CD2-CB 3.68Å; L147-I170 HydrophobicContact CD2-CD1 3.7Å; L147-I170 HydrophobicContact CD2-CG1 4.28Å; L147-I170 HydrophobicContact CD2-CG2 3.68Å; L147-I170 HydrophobicContact CG-CD1 4.46Å; L147-V299 HydrophobicContact CD1-CG2 3.82Å
148Y91.4Very high94Very high86 Ų8623.4 Ų23.434%0.33714%0.141SC..Hα-helixtrans-58.6-38.4175.9-78.7-54.4000112.7V144 L145 T150 G151V144-Y148 HydrophobicContact CG1-CD2 3.76Å; V144-Y148 HydrophobicContact CG1-CE2 3.36Å; V144-Y148 WeakPolarHBondContact O-CD2 3.25Å; V144-Y148 PolarHBondContact O-N 2.93Å; V144-Y148 VanDerWaalsContact O-N 3.13Å; L145-Y148 WeakPolarHBondContact O-CB 3.48Å; L145-Y148 PolarHBondContact O-N 2.88Å; L145-Y148 VanDerWaalsContact O-N 3.16Å; Y148-T150 PolarHBondContact O-N 3.34Å; Y148-T150 VanDerWaalsContact O-N 3.16Å; Y148-G151 PolarHBondContact O-N 3.49Å
149A93.3Very high94Very high29 Ų2922.8 Ų22.824%0.2414%0.139CC..Hα-helixtrans-59.2-27.2175.700000113.2L145 L147 G151 S339 I342L145-A149 PolarHBondContact O-N 2.92Å; L147-A149 VanDerWaalsContact C-N 3.28Å; L147-A149 PolarHBondContact O-N 2.99Å; A149-G151 VanDerWaalsContact C-N 3.34Å; A149-S339 VanDerWaalsContact CB-O 3.22Å; A149-S339 WeakPolarHBondContact CB-O 3.26Å; A149-I342 HydrophobicContact CB-CB 4.2Å; A149-I342 HydrophobicContact CB-CG2 4.05Å
150T91.4Very high94.1Very high44 Ų4422.5 Ų22.527%0.2714%0.137SC..THydrogen-bonded Turntrans-87.7-0.8176.769.20000114.1L147 Y148 R152 V299 P333L147-T150 PolarHBondContact O-N 2.82Å; L147-T150 PolarHBondContact O-OG1 3.34Å; Y148-T150 PolarHBondContact O-N 3.34Å; Y148-T150 VanDerWaalsContact O-N 3.16Å; T150-R152 VanDerWaalsContact C-N 3.28Å; T150-R152 PolarHBondContact O-N 3.41Å; T150-V299 HydrophobicContact CG2-CG1 3.9Å; T150-P333 HydrophobicContact CG2-CG 4.25Å
151G90.3Very high94.1Very high73 Ų7323 Ų2375%0.75314%0.144SC*.THydrogen-bonded Turntrans70.422.2-176.900000113.9Y148 A149Y148-G151 PolarHBondContact O-N 3.49Å; A149-G151 VanDerWaalsContact C-N 3.34Å
152R92.6Very high94.3Very high61 Ų6123.4 Ų23.423%0.2315%0.146CC..  trans-107.6150.5178.6-63.3179.6-174171.74110.5L147 T150 S331L147-R152 HydrophobicContact CD1-CB 3.77Å; L147-R152 HydrophobicContact CG-CB 4.11Å; L147-R152 PolarHBondContact O-N 2.94Å; T150-R152 VanDerWaalsContact C-N 3.28Å; T150-R152 PolarHBondContact O-N 3.41Å; R152-S331 PolarHBondContact NH1-OG 3.09Å; R152-S331 PolarHBondContact NH2-OG 2.92Å
153T91.4Very high94.2Very high76 Ų7622.6 Ų22.647%0.46614%0.143SC..SBendtrans-110.4-18.3174.956.10000112.6E172 G173T153-E172 PolarHBondContact O-N 2.88Å; T153-E172 VanDerWaalsContact O-N 3.1Å; T153-G173 PolarHBondContact O-N 3.2Å
154T94.9Very high94.3Very high28 Ų2823 Ų2317%0.17215%0.145CC..SBendtrans-126.1138.3-179.9550000110.3I170 Y171 E172T154-I170 WeakPolarHBondContact CA-O 3.41Å; T154-Y171 HydrophobicContact CG2-CD2 3.74Å; T154-Y171 HydrophobicContact CG2-CE2 3.99Å; T154-Y171 HydrophobicContact CG2-CG 4.31Å; T154-E172 HydrophobicContact CG2-CG 4.07Å; T154-E172 VanDerWaalsContact CG2-N 3.28Å
155G95.9Very high94.4Very high0 Ų022.1 Ų22.10%014%0.14CC..EExtended strand (participates in β ladder)trans154.5175.1177.100000113.4I170 N297G155-I170 PolarHBondContact N-O 3.42Å; G155-I170 PolarHBondContact O-N 2.86Å; G155-I170 VanDerWaalsContact O-O 3.07Å; G155-N297 CarbonylContact C-O 3.48Å; G155-N297 WeakPolarHBondContact CA-O 3.42Å
156V97.1Very high94.4Very high0 Ų022.1 Ų22.10%014%0.14CC..EExtended strand (participates in β ladder)trans-108.3128.1170.3-172.40000108.6A167 P169 L279 I283 L294 N297 I298 V299V156-A167 HydrophobicContact CG1-CB 4.41Å; V156-P169 HydrophobicContact CG2-CB 4.05Å; V156-L279 HydrophobicContact CB-CD1 4.19Å; V156-L279 HydrophobicContact CG1-CD1 3.55Å; V156-I283 HydrophobicContact CG2-CD1 4.19Å; V156-I283 HydrophobicContact CG2-CG1 3.73Å; V156-L294 HydrophobicContact CG2-CB 3.63Å; V156-L294 HydrophobicContact CG2-CD1 4.2Å; V156-L294 HydrophobicContact CG2-CD2 3.67Å; V156-L294 HydrophobicContact CG2-CG 4.01Å; V156-N297 PolarHBondContact N-O 2.71Å; V156-I298 CarbonylContact O-C 3.18Å; V156-I298 WeakPolarHBondContact O-CA 3.48Å; V156-V299 PolarHBondContact O-N 3.16Å
157V97.1Very high94.6Very high0 Ų022 Ų220%014%0.139CC..EExtended strand (participates in β ladder)trans-95.3123.4170.81780000108.4A143 S146 L147 D159 A167 V168 I170 V299A143-V157 HydrophobicContact CB-CB 3.98Å; A143-V157 HydrophobicContact CB-CG1 4.08Å; A143-V157 HydrophobicContact CB-CG2 4.49Å; A143-V157 WeakPolarHBondContact O-CG2 3.29Å; S146-V157 WeakPolarHBondContact OG-CG1 3.45Å; L147-V157 HydrophobicContact CB-CG2 3.87Å; L147-V157 HydrophobicContact CD1-CG2 4.26Å; V157-D159 HydrophobicContact CG1-CB 4.14Å; V157-A167 VanDerWaalsContact O-CA 3.29Å; V157-A167 WeakPolarHBondContact O-CA 3.29Å; V157-V168 PolarHBondContact N-O 2.91Å; V157-V168 PolarHBondContact O-N 3.14Å; V157-I170 HydrophobicContact CG2-CD1 4.19Å; V157-V299 WeakPolarHBondContact CA-O 3.5Å; V157-V299 HydrophobicContact CG2-CB 4.32Å
158L97.3Very high94.7Very high0 Ų021.9 Ų21.90%014%0.139CC..EExtended strand (participates in β ladder)trans-99.1103.7162.2-179.267.7000107.8T165 A167 L279 V299 L300 S301 F310 L314L158-T165 HydrophobicContact CD1-CG2 3.96Å; L158-A167 HydrophobicContact CD1-CB 4.24Å; L158-L279 HydrophobicContact CB-CD1 4.38Å; L158-L279 HydrophobicContact CD2-CD2 4.36Å; L158-V299 PolarHBondContact N-O 2.67Å; L158-L300 HydrophobicContact CB-CD2 3.98Å; L158-L300 HydrophobicContact CD2-CD2 4Å; L158-L300 HydrophobicContact CG-CD2 4.44Å; L158-S301 PolarHBondContact O-N 3.13Å; L158-F310 HydrophobicContact CD2-CE1 4.44Å; L158-F310 HydrophobicContact CD2-CZ 4.3Å; L158-L314 HydrophobicContact CD2-CD1 4.34Å; L158-L314 HydrophobicContact CD2-CD2 3.61Å
159D96.1Very high94.9Very high7 Ų717.8 Ų17.84%0.03712%0.123CC..EExtended strand (participates in β ladder)trans-105115.4178.1-17434.3000109.8V157 T165 H166 S301 G302V157-D159 HydrophobicContact CG1-CB 4.14Å; D159-T165 CarbonylContact O-C 3.6Å; D159-T165 VanDerWaalsContact O-CA 3.29Å; D159-T165 WeakPolarHBondContact O-CA 3.1Å; D159-T165 WeakPolarHBondContact O-CG2 3.37Å; D159-H166 PolarHBondContact N-O 3.44Å; D159-H166 PolarHBondContact O-N 2.9Å; D159-H166 IonicContact OD2-CE1 2.8Å; D159-H166 PolarHBondContact OD2-CE1 2.87Å; D159-H166 IonicContact OD2-NE2 2.83Å; D159-S301 WeakPolarHBondContact CA-O 3.38Å; D159-S301 VanDerWaalsContact OD1-CB 3.26Å; D159-S301 WeakPolarHBondContact OD1-CB 3.41Å; D159-S301 PolarHBondContact OD1-OG 3.41Å; D159-G302 VanDerWaalsContact OD1-CA 3.26Å; D159-G302 WeakPolarHBondContact OD1-CA 3.42Å; D159-G302 PolarHBondContact OD1-N 3.48Å; D159-G302 VanDerWaalsContact OD1-N 3.15Å
160S96.2Very high95.1Very high0 Ų016.5 Ų16.50%011%0.112CC..EExtended strand (participates in β ladder)trans-117.899.8178-168.50000110.2T165 S301 G302 G303 S304S160-T165 PolarHBondContact OG-OG1 2.86Å; S160-S301 PolarHBondContact N-O 3.45Å; S160-G302 CarbonylContact O-C 3.56Å; S160-G302 WeakPolarHBondContact O-CA 3.25Å; S160-G303 PolarHBondContact O-N 3.44Å; S160-S304 WeakPolarHBondContact O-CB 3.13Å; S160-S304 PolarHBondContact O-N 3.08Å; S160-S304 WeakPolarHBondContact OG-CB 3.16Å
161G94.9Very high95.3Very high20 Ų2018.2 Ų18.221%0.20611%0.114CC..  trans-90.2-151.2-177.600000113.3V164 G187 S304G161-V164 PolarHBondContact N-O 2.83Å; G161-G187 PolarHBondContact O-N 3.41Å; G161-S304 PolarHBondContact O-OG 3.34Å
162D95.1Very high95.3Very high28 Ų2820.2 Ų20.215%0.1510%0.104CC..SBendtrans-85.4-38.2173.7-172.760.5000112.2G19 A186 G187 R188G19-D162 WeakPolarHBondContact CA-OD2 3.25Å; D162-A186 WeakPolarHBondContact O-CB 3.39Å; D162-G187 PolarHBondContact O-N 3.01Å; D162-R188 WeakPolarHBondContact O-CB 3.11Å; D162-R188 PolarHBondContact O-N 3.44Å; D162-R188 PolarHBondContact OD1-N 3.5Å; D162-R188 IonicContact OD2-CZ 2.98Å; D162-R188 VanDerWaalsContact OD2-CZ 3.3Å; D162-R188 IonicContact OD2-NE 2.78Å; D162-R188 PolarHBondContact OD2-NE 3.42Å; D162-R188 IonicContact OD2-NH2 3.6Å; D162-R188 PolarHBondContact OD2-NH2 3.4Å
163G93Very high95Very high1 Ų118.4 Ų18.41%0.0110%0.103CC..SBendtrans-105.2-29.1-175.700000115.3H77H77-G163 WeakPolarHBondContact CA-O 3.36Å; H77-G163 PolarHBondContact ND1-O 3.42Å
164V95Very high94.9Very high7 Ų722.4 Ų22.44%0.04212%0.115CC..  trans-139.6146.8-171.763.60000110.3A113 G161 R182 A186A113-V164 HydrophobicContact CB-CG1 4.12Å; G161-V164 PolarHBondContact N-O 2.83Å; V164-R182 HydrophobicContact CG2-CG 3.75Å; V164-A186 VanDerWaalsContact N-CB 3.29Å
165T95.5Very high94.8Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-118.5133.8164.4-54.10000109.7L158 D159 S160 V183 I185 L275L158-T165 HydrophobicContact CD1-CG2 3.96Å; D159-T165 CarbonylContact O-C 3.6Å; D159-T165 VanDerWaalsContact O-CA 3.29Å; D159-T165 WeakPolarHBondContact O-CA 3.1Å; D159-T165 WeakPolarHBondContact O-CG2 3.37Å; S160-T165 PolarHBondContact OG-OG1 2.86Å; T165-V183 PolarHBondContact N-O 3.17Å; T165-V183 PolarHBondContact O-N 2.92Å; T165-V183 VanDerWaalsContact O-O 3.07Å; T165-I185 WeakPolarHBondContact CB-O 3.25Å; T165-I185 PolarHBondContact OG1-O 2.88Å; T165-L275 HydrophobicContact CG2-CD1 4.03Å; T165-L275 HydrophobicContact CG2-CD2 3.26Å; T165-L275 HydrophobicContact CG2-CG 4.19Å
166H95.8Very high94.7Very high0 Ų022.9 Ų22.90%012%0.119CC..EExtended strand (participates in β ladder)trans-139.9146.817958.9-91.4000112P114 D159 M181P114-H166 HydrophobicContact CG-CB 3.65Å; P114-H166 VanDerWaalsContact CG-CD2 3.43Å; P114-H166 WeakPolarHBondContact CG-CD2 3.47Å; D159-H166 PolarHBondContact N-O 3.44Å; D159-H166 PolarHBondContact O-N 2.9Å; D159-H166 IonicContact OD2-CE1 2.8Å; D159-H166 PolarHBondContact OD2-CE1 2.87Å; D159-H166 IonicContact OD2-NE2 2.83Å; H166-M181 CarbonylContact C-O 3.56Å; H166-M181 VanDerWaalsContact CA-O 3.23Å; H166-M181 WeakPolarHBondContact CA-O 3.07Å; H166-M181 WeakPolarHBondContact CB-O 3.49Å
167A97.3Very high94.4Very high0 Ų026.5 Ų26.50%014%0.142CC..EExtended strand (participates in β ladder)trans-113.4116.9170.200000108.9V156 V157 L158 M181 V278 L279 A282V156-A167 HydrophobicContact CG1-CB 4.41Å; V157-A167 VanDerWaalsContact O-CA 3.29Å; V157-A167 WeakPolarHBondContact O-CA 3.29Å; L158-A167 HydrophobicContact CD1-CB 4.24Å; A167-M181 HydrophobicContact CB-CB 4.47Å; A167-M181 PolarHBondContact N-O 3.48Å; A167-M181 PolarHBondContact O-N 3.13Å; A167-V278 HydrophobicContact CB-CG1 3.86Å; A167-L279 HydrophobicContact CB-CD1 4.47Å; A167-A282 HydrophobicContact CB-CB 3.67Å
168V96.9Very high94.2Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-120.5111.3-177.9176.10000108.7P114 A143 V157 I170 A175 I180P114-V168 HydrophobicContact CB-CG2 4.24Å; P114-V168 HydrophobicContact CG-CG2 4.12Å; A143-V168 HydrophobicContact CB-CB 3.59Å; A143-V168 HydrophobicContact CB-CG1 4.03Å; A143-V168 HydrophobicContact CB-CG2 3.8Å; V157-V168 PolarHBondContact N-O 2.91Å; V157-V168 PolarHBondContact O-N 3.14Å; V168-I170 HydrophobicContact CG1-CD1 4.42Å; V168-I170 HydrophobicContact CG1-CG1 3.99Å; V168-A175 HydrophobicContact CG1-CB 4.11Å; V168-I180 HydrophobicContact CG1-CD1 4.42Å; V168-I180 HydrophobicContact CG1-CG1 4.23Å; V168-I180 HydrophobicContact CG2-CD1 4.32Å; V168-I180 HydrophobicContact CG2-CG1 4.08Å; V168-I180 HydrophobicContact CG2-CG2 3.91Å
169P97Very high94.1Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-78.1132.2171.126.9-24.7000110.3V156 M176 S179 L294V156-P169 HydrophobicContact CG2-CB 4.05Å; P169-M176 HydrophobicContact CB-SD 4.3Å; P169-M176 HydrophobicContact CG-CB 4.26Å; P169-M176 HydrophobicContact CG-SD 4.41Å; P169-M176 PolarHBondContact O-N 2.73Å; P169-S179 WeakPolarHBondContact CD-O 3.5Å; P169-L294 HydrophobicContact CB-CD1 3.98Å; P169-L294 HydrophobicContact CB-CD2 4.3Å
170I96.3Very high94.1Very high2 Ų232.4 Ų32.41%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-127.5133-177.6-56.9165.6000108V144 L147 T154 G155 V157 V168 F174 A175V144-I170 HydrophobicContact CB-CD1 4.45Å; V144-I170 HydrophobicContact CG2-CD1 4.02Å; L147-I170 HydrophobicContact CB-CD1 3.97Å; L147-I170 HydrophobicContact CD2-CB 3.68Å; L147-I170 HydrophobicContact CD2-CD1 3.7Å; L147-I170 HydrophobicContact CD2-CG1 4.28Å; L147-I170 HydrophobicContact CD2-CG2 3.68Å; L147-I170 HydrophobicContact CG-CD1 4.46Å; T154-I170 WeakPolarHBondContact CA-O 3.41Å; G155-I170 PolarHBondContact N-O 3.42Å; G155-I170 PolarHBondContact O-N 2.86Å; G155-I170 VanDerWaalsContact O-O 3.07Å; V157-I170 HydrophobicContact CG2-CD1 4.19Å; V168-I170 HydrophobicContact CG1-CD1 4.42Å; V168-I170 HydrophobicContact CG1-CG1 3.99Å; I170-F174 WeakPolarHBondContact CA-O 3.36Å; I170-A175 HydrophobicContact CG1-CB 4.32Å
171Y94.8Very high94.1Very high79 Ų7933.2 Ų33.231%0.3117%0.174SC..EExtended strand (participates in β ladder)trans-131.7123.6177.1-175.9-94.8000110.5T154 G173 F174 M176 L290T154-Y171 HydrophobicContact CG2-CD2 3.74Å; T154-Y171 HydrophobicContact CG2-CE2 3.99Å; T154-Y171 HydrophobicContact CG2-CG 4.31Å; Y171-G173 PolarHBondContact O-N 3.21Å; Y171-G173 VanDerWaalsContact O-N 3.12Å; Y171-F174 PolarHBondContact N-O 2.87Å; Y171-F174 WeakPolarHBondContact O-CB 3.26Å; Y171-F174 PolarHBondContact O-N 3.5Å; Y171-M176 HydrophobicContact CG-CE 4.26Å; Y171-L290 HydrophobicContact CD2-CD1 4.27Å; Y171-L290 HydrophobicContact CD2-CD2 3.66Å; Y171-L290 HydrophobicContact CD2-CG 4.49Å; Y171-L290 HydrophobicContact CE1-CD2 4.47Å; Y171-L290 HydrophobicContact CE2-CD2 3.48Å; Y171-L290 VanDerWaalsContact CE2-CD2 3.48Å; Y171-L290 HydrophobicContact CG-CD1 4.19Å; Y171-L290 HydrophobicContact CG-CD2 4.25Å
172E91.3Very high94.1Very high116 Ų11634.9 Ų34.954%0.54217%0.174SC..THydrogen-bonded Turntrans50.736-179.3-66.6-179-174.200113.8T153 T154 F174T153-E172 PolarHBondContact O-N 2.88Å; T153-E172 VanDerWaalsContact O-N 3.1Å; T154-E172 HydrophobicContact CG2-CG 4.07Å; T154-E172 VanDerWaalsContact CG2-N 3.28Å; E172-F174 VanDerWaalsContact C-N 3.33Å; E172-F174 WeakPolarHBondContact O-CD2 3.48Å
173G86.3Confident94.1Very high22 Ų2233.9 Ų33.923%0.22717%0.168CC..THydrogen-bonded Turntrans86.3-5.5-178.200000114.9T153 Y171T153-G173 PolarHBondContact O-N 3.2Å; Y171-G173 PolarHBondContact O-N 3.21Å; Y171-G173 VanDerWaalsContact O-N 3.12Å
174F89.1Confident94.2Very high161 Ų16137 Ų3771%0.70619%0.185SC*.EExtended strand (participates in β ladder)trans-96.6118.8176-62-85.1000110.7I170 Y171 E172I170-F174 WeakPolarHBondContact CA-O 3.36Å; Y171-F174 PolarHBondContact N-O 2.87Å; Y171-F174 WeakPolarHBondContact O-CB 3.26Å; Y171-F174 PolarHBondContact O-N 3.5Å; E172-F174 VanDerWaalsContact C-N 3.33Å; E172-F174 WeakPolarHBondContact O-CD2 3.48Å
175A92.8Very high94.1Very high20 Ų2037 Ų3717%0.16518%0.184CC..EExtended strand (participates in β ladder)trans-71.7134.8169.400000109.4M141 V144 V168 I170 P177M141-A175 HydrophobicContact CE-CB 4.13Å; V144-A175 HydrophobicContact CG2-CB 3.93Å; V168-A175 HydrophobicContact CG1-CB 4.11Å; I170-A175 HydrophobicContact CG1-CB 4.32Å; A175-P177 WeakPolarHBondContact O-CD 3.27Å
176M93.3Very high94.1Very high18 Ų1837 Ų379%0.08918%0.184CC..  trans-90.3101.6179.3-61.5174.4-160.600110.4P169 Y171 H178 S179 I180 L290P169-M176 HydrophobicContact CB-SD 4.3Å; P169-M176 HydrophobicContact CG-CB 4.26Å; P169-M176 HydrophobicContact CG-SD 4.41Å; P169-M176 PolarHBondContact O-N 2.73Å; Y171-M176 HydrophobicContact CG-CE 4.26Å; M176-H178 VanDerWaalsContact C-N 3.33Å; M176-H178 PolarHBondContact O-N 3.31Å; M176-S179 PolarHBondContact O-N 2.9Å; M176-S179 VanDerWaalsContact O-N 3.13Å; M176-I180 WeakPolarHBondContact O-CG1 3.47Å; M176-I180 PolarHBondContact O-N 2.65Å; M176-L290 HydrophobicContact CE-CD1 3.29Å; M176-L290 HydrophobicContact SD-CD1 4.35Å
177P91.4Very high94.1Very high76 Ų7637 Ų3749%0.49418%0.184SC..G310 helixtrans-66.6-34.5-168.1-21.336000113.1A175 S179 I180A175-P177 WeakPolarHBondContact O-CD 3.27Å; P177-S179 PolarHBondContact O-N 3.11Å; P177-I180 PolarHBondContact O-N 3.27Å
178H93.3Very high94Very high117 Ų11737.4 Ų37.454%0.54219%0.186SC..G310 helixtrans-69.9-19.3179.963.3-89.2000113.5M176M176-H178 VanDerWaalsContact C-N 3.33Å; M176-H178 PolarHBondContact O-N 3.31Å
179S95.7Very high93.9Very high0 Ų038.5 Ų38.50%019%0.192CC..G310 helixtrans-103.95-178.7-67.40000112.8P169 M176 P177 M181 A282 K285 S286P169-S179 WeakPolarHBondContact CD-O 3.5Å; M176-S179 PolarHBondContact O-N 2.9Å; M176-S179 VanDerWaalsContact O-N 3.13Å; P177-S179 PolarHBondContact O-N 3.11Å; S179-M181 PolarHBondContact O-N 3.34Å; S179-A282 WeakPolarHBondContact O-CA 3.4Å; S179-A282 WeakPolarHBondContact O-CB 3.38Å; S179-K285 PolarHBondContact OG-O 3.46Å; S179-S286 WeakPolarHBondContact OG-CA 3.48Å; S179-S286 PolarHBondContact OG-N 3.33Å
180I95.9Very high93.9Very high14 Ų1438.5 Ų38.57%0.07219%0.192CC..  trans-70.2126.8174.4-61.1180000109.1P114 L115 V168 M176 P177P114-I180 HydrophobicContact CB-CD1 4.32Å; P114-I180 HydrophobicContact CB-CG2 4.02Å; P114-I180 HydrophobicContact CG-CG2 4.36Å; L115-I180 HydrophobicContact CD1-CB 4.41Å; L115-I180 HydrophobicContact CD1-CG2 3.91Å; L115-I180 HydrophobicContact CG-CG2 4.05Å; V168-I180 HydrophobicContact CG1-CD1 4.42Å; V168-I180 HydrophobicContact CG1-CG1 4.23Å; V168-I180 HydrophobicContact CG2-CD1 4.32Å; V168-I180 HydrophobicContact CG2-CG1 4.08Å; V168-I180 HydrophobicContact CG2-CG2 3.91Å; M176-I180 WeakPolarHBondContact O-CG1 3.47Å; M176-I180 PolarHBondContact O-N 2.65Å; P177-I180 PolarHBondContact O-N 3.27Å
181M96.3Very high93.9Very high17 Ų1738.4 Ų38.48%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-109.6136.8169.1-62.6-64.1-64.900109.1H166 A167 S179 V278 F281 A282 K285H166-M181 CarbonylContact C-O 3.56Å; H166-M181 VanDerWaalsContact CA-O 3.23Å; H166-M181 WeakPolarHBondContact CA-O 3.07Å; H166-M181 WeakPolarHBondContact CB-O 3.49Å; A167-M181 HydrophobicContact CB-CB 4.47Å; A167-M181 PolarHBondContact N-O 3.48Å; A167-M181 PolarHBondContact O-N 3.13Å; S179-M181 PolarHBondContact O-N 3.34Å; M181-V278 HydrophobicContact CB-CG1 3.67Å; M181-F281 HydrophobicContact CE-CB 4.02Å; M181-F281 HydrophobicContact CE-CD2 4.17Å; M181-F281 HydrophobicContact CG-CB 4.24Å; M181-F281 HydrophobicContact SD-CB 4.3Å; M181-A282 HydrophobicContact CB-CB 4.27Å; M181-A282 HydrophobicContact CG-CB 3.77Å; M181-K285 HydrophobicContact SD-CD 3.8Å; M181-K285 VanDerWaalsContact SD-CE 3.59Å; M181-K285 PolarHBondContact SD-NZ 3.13Å
182R94.5Very high94Very high55 Ų5538.8 Ų38.821%0.20819%0.192CC..EExtended strand (participates in β ladder)trans-136.2134.8179.9172.6-179.2165.1158.1-0.3108.9H77 P114 L115 V164 D184H77-R182 PolarHBondContact O-NH2 2.93Å; P114-R182 PolarHBondContact O-NH1 3.41Å; L115-R182 HydrophobicContact CD1-CB 4.28Å; V164-R182 HydrophobicContact CG2-CG 3.75Å; R182-D184 IonicContact CZ-OD1 3.68Å; R182-D184 IonicContact NE-OD1 3.8Å; R182-D184 PolarHBondContact NE-OD1 2.97Å; R182-D184 IonicContact NH2-OD1 4Å; R182-D184 PolarHBondContact NH2-OD1 2.89Å; R182-D184 IonicContact NH2-OD2 3.66Å
183V94.9Very high94.2Very high6 Ų634.3 Ų34.34%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-131137.7172.2-179.90000108.5T165 I185 V278T165-V183 PolarHBondContact N-O 3.17Å; T165-V183 PolarHBondContact O-N 2.92Å; T165-V183 VanDerWaalsContact O-O 3.07Å; V183-I185 HydrophobicContact CG1-CB 3.88Å; V183-I185 HydrophobicContact CG1-CD1 3.99Å; V183-I185 HydrophobicContact CG1-CG1 3.83Å; V183-I185 PolarHBondContact O-N 3.31Å; V183-V278 HydrophobicContact CB-CG2 4.37Å; V183-V278 HydrophobicContact CG2-CG2 3.34Å
184D93.8Very high94.6Very high68 Ų6833.3 Ų33.336%0.36416%0.16SC..SBendtrans-87.331.2-178.9-71.8-16000111.7H77 R182H77-D184 HydrophobicContact CB-CB 4.11Å; H77-D184 PolarHBondContact CE1-O 3.17Å; H77-D184 PolarHBondContact ND1-O 2.89Å; H77-D184 VanDerWaalsContact ND1-O 3.08Å; R182-D184 IonicContact CZ-OD1 3.68Å; R182-D184 IonicContact NE-OD1 3.8Å; R182-D184 PolarHBondContact NE-OD1 2.97Å; R182-D184 IonicContact NH2-OD1 4Å; R182-D184 PolarHBondContact NH2-OD1 2.89Å; R182-D184 IonicContact NH2-OD2 3.66Å
185I94.1Very high94.9Very high5 Ų529.6 Ų29.63%0.02614%0.142CC..  trans-112.2121.7173-60.9173.9000108.8T165 V183 D189 L261 L262 P265 D270T165-I185 WeakPolarHBondContact CB-O 3.25Å; T165-I185 PolarHBondContact OG1-O 2.88Å; V183-I185 HydrophobicContact CG1-CB 3.88Å; V183-I185 HydrophobicContact CG1-CD1 3.99Å; V183-I185 HydrophobicContact CG1-CG1 3.83Å; V183-I185 PolarHBondContact O-N 3.31Å; I185-D189 HydrophobicContact CG2-CB 4.41Å; I185-L261 HydrophobicContact CG2-CG 4.16Å; I185-L262 HydrophobicContact CG2-CD2 4.33Å; I185-P265 HydrophobicContact CD1-CB 3.38Å; I185-P265 HydrophobicContact CD1-CG 3.51Å; I185-D270 HydrophobicContact CD1-CB 4.26Å; I185-D270 WeakPolarHBondContact CD1-OD2 3.36Å
186A95.2Very high95Very high0 Ų032.4 Ų32.40%015%0.153CC..SBendtrans-155-158.5-176.200000112.4D162 V164 R188 D189 V190D162-A186 WeakPolarHBondContact O-CB 3.39Å; V164-A186 VanDerWaalsContact N-CB 3.29Å; A186-R188 VanDerWaalsContact C-N 3.27Å; A186-R188 PolarHBondContact O-N 2.98Å; A186-D189 PolarHBondContact N-OD2 2.78Å; A186-D189 PolarHBondContact O-N 2.76Å; A186-V190 WeakPolarHBondContact O-CG2 3.38Å; A186-V190 PolarHBondContact O-N 3.02Å; A186-V190 VanDerWaalsContact O-N 3.14Å
187G95.4Very high95Very high0 Ų032.1 Ų32.10%015%0.152CC..Hα-helixtrans-61-28.7-173.700000115.2G161 D162 S191 K218 S304G161-G187 PolarHBondContact O-N 3.41Å; D162-G187 PolarHBondContact O-N 3.01Å; G187-S191 PolarHBondContact O-N 3.26Å; G187-S191 PolarHBondContact O-OG 3.42Å; G187-S191 VanDerWaalsContact O-OG 3.07Å; G187-K218 PolarHBondContact O-NZ 2.86Å; G187-S304 WeakPolarHBondContact CA-OG 3.4Å; G187-S304 PolarHBondContact N-OG 2.93Å
188R95.5Very high95.1Very high10 Ų1028.6 Ų28.64%0.03813%0.129CC..Hα-helixtrans-74.1-40.6178.4-171.5175-63.41771.8111.1S18 M75 D162 A186 V190 S191 R192 F211S18-R188 PolarHBondContact O-NH2 2.82Å; M75-R188 PolarHBondContact O-NH1 2.78Å; D162-R188 WeakPolarHBondContact O-CB 3.11Å; D162-R188 PolarHBondContact O-N 3.44Å; D162-R188 PolarHBondContact OD1-N 3.5Å; D162-R188 IonicContact OD2-CZ 2.98Å; D162-R188 VanDerWaalsContact OD2-CZ 3.3Å; D162-R188 IonicContact OD2-NE 2.78Å; D162-R188 PolarHBondContact OD2-NE 3.42Å; D162-R188 IonicContact OD2-NH2 3.6Å; D162-R188 PolarHBondContact OD2-NH2 3.4Å; A186-R188 VanDerWaalsContact C-N 3.27Å; A186-R188 PolarHBondContact O-N 2.98Å; R188-V190 VanDerWaalsContact C-N 3.32Å; R188-S191 WeakPolarHBondContact O-CB 3.47Å; R188-S191 PolarHBondContact O-N 2.89Å; R188-R192 WeakPolarHBondContact O-CG 3.25Å; R188-R192 PolarHBondContact O-N 3.14Å; R188-F211 HydrophobicContact CG-CE1 4.43Å; R188-F211 HydrophobicContact CG-CZ 4.27Å
189D95.9Very high95Very high22 Ų2230 Ų3012%0.11813%0.13CC..Hα-helixtrans-64.5-41.4175.9-49.4-68.4000110.2H77 I185 A186 S191 R192 Y193 L261H77-D189 IonicContact CE1-OD1 3.59Å; I185-D189 HydrophobicContact CG2-CB 4.41Å; A186-D189 PolarHBondContact N-OD2 2.78Å; A186-D189 PolarHBondContact O-N 2.76Å; D189-S191 PolarHBondContact O-N 3.28Å; D189-R192 PolarHBondContact O-N 2.87Å; D189-R192 IonicContact OD1-CZ 2.98Å; D189-R192 IonicContact OD1-NH1 2.88Å; D189-R192 PolarHBondContact OD1-NH1 3.34Å; D189-R192 IonicContact OD1-NH2 3.87Å; D189-Y193 WeakPolarHBondContact O-CB 3.35Å; D189-Y193 PolarHBondContact O-N 2.94Å; D189-L261 HydrophobicContact CB-CD2 4.03Å
190V96.6Very high94.8Very high0 Ų037.5 Ų37.50%016%0.162CC..Hα-helixtrans-59.7-43.8171.4177.80000111.4A186 R188 Y193 L194 K218 A258 L261 L262 F307A186-V190 WeakPolarHBondContact O-CG2 3.38Å; A186-V190 PolarHBondContact O-N 3.02Å; A186-V190 VanDerWaalsContact O-N 3.14Å; R188-V190 VanDerWaalsContact C-N 3.32Å; V190-Y193 PolarHBondContact O-N 3.04Å; V190-L194 WeakPolarHBondContact O-CB 3.4Å; V190-L194 PolarHBondContact O-N 3.28Å; V190-K218 HydrophobicContact CB-CD 4.26Å; V190-K218 HydrophobicContact CG1-CD 3.83Å; V190-K218 HydrophobicContact CG1-CG 4.17Å; V190-A258 HydrophobicContact CG1-CB 4.33Å; V190-L261 HydrophobicContact CG2-CB 4.34Å; V190-L261 HydrophobicContact CG2-CD2 4.22Å; V190-L262 HydrophobicContact CG2-CD1 4.36Å; V190-L262 HydrophobicContact CG2-CD2 3.73Å; V190-L262 HydrophobicContact CG2-CG 3.77Å; V190-F307 HydrophobicContact CG1-CZ 4.1Å
191S96.4Very high94.4Very high1 Ų140.6 Ų40.61%0.00718%0.176CC..Hα-helixtrans-63.1-40.7175.1-63.10000112.2G187 R188 D189 L194 R195 V214 K218G187-S191 PolarHBondContact O-N 3.26Å; G187-S191 PolarHBondContact O-OG 3.42Å; G187-S191 VanDerWaalsContact O-OG 3.07Å; R188-S191 WeakPolarHBondContact O-CB 3.47Å; R188-S191 PolarHBondContact O-N 2.89Å; D189-S191 PolarHBondContact O-N 3.28Å; S191-L194 PolarHBondContact O-N 2.96Å; S191-R195 PolarHBondContact O-N 3.15Å; S191-V214 WeakPolarHBondContact O-CG1 3.36Å; S191-K218 WeakPolarHBondContact OG-CD 3.26Å; S191-K218 WeakPolarHBondContact OG-CE 3.34Å; S191-K218 PolarHBondContact OG-NZ 3.02Å
192R95.4Very high93.9Very high86 Ų8642.9 Ų42.933%0.32520%0.204SC..Hα-helixtrans-66.4-39176.6-69.4-167.8-142.5107-2.4111.7R188 D189 R195 L196 F211R188-R192 WeakPolarHBondContact O-CG 3.25Å; R188-R192 PolarHBondContact O-N 3.14Å; D189-R192 PolarHBondContact O-N 2.87Å; D189-R192 IonicContact OD1-CZ 2.98Å; D189-R192 IonicContact OD1-NH1 2.88Å; D189-R192 PolarHBondContact OD1-NH1 3.34Å; D189-R192 IonicContact OD1-NH2 3.87Å; R192-R195 WeakPolarHBondContact O-CB 3.42Å; R192-R195 PolarHBondContact O-N 2.66Å; R192-L196 PolarHBondContact O-N 3.26Å; R192-L196 VanDerWaalsContact O-N 3.14Å; R192-F211 HydrophobicContact CB-CE2 4.43Å; R192-F211 HydrophobicContact CG-CE2 3.72Å; R192-F211 HydrophobicContact CG-CZ 3.74Å
193Y95.9Very high93.7Very high23 Ų2342.5 Ų42.59%0.0921%0.208CC..Hα-helixtrans-69-41.8176.5-175.6-128.4000111.6D189 V190 R195 L196 L197 R257 L261 L267 V268D189-Y193 WeakPolarHBondContact O-CB 3.35Å; D189-Y193 PolarHBondContact O-N 2.94Å; V190-Y193 PolarHBondContact O-N 3.04Å; Y193-R195 VanDerWaalsContact C-N 3.31Å; Y193-R195 PolarHBondContact O-N 3.19Å; Y193-L196 HydrophobicContact CD2-CD2 4.41Å; Y193-L196 WeakPolarHBondContact O-CB 3.47Å; Y193-L196 PolarHBondContact O-N 3.01Å; Y193-L197 HydrophobicContact CD1-CD1 4.11Å; Y193-L197 HydrophobicContact CE1-CD1 3.78Å; Y193-L197 HydrophobicContact CE1-CG 4.34Å; Y193-L197 HydrophobicContact CE2-CD2 4.15Å; Y193-L197 HydrophobicContact CE2-CG 4.23Å; Y193-L197 WeakPolarHBondContact O-CG 3.28Å; Y193-L197 PolarHBondContact O-N 3.49Å; Y193-R257 WeakPolarHBondContact CE1-O 3.42Å; Y193-L261 HydrophobicContact CD1-CB 4.11Å; Y193-L261 HydrophobicContact CD1-CD2 4.38Å; Y193-L261 HydrophobicContact CG-CD2 4.33Å; Y193-L267 HydrophobicContact CE1-CB 4.49Å; Y193-L267 HydrophobicContact CE1-CD1 4.35Å; Y193-V268 HydrophobicContact CD2-CG2 4.45Å
194L95.5Very high93.5Very high0 Ų046.1 Ų46.10%023%0.227CC..Hα-helixtrans-58-43.6172.8-179.661.1000111.6V190 S191 L196 L197 L198 V214 I217 K218 A254 A258V190-L194 WeakPolarHBondContact O-CB 3.4Å; V190-L194 PolarHBondContact O-N 3.28Å; S191-L194 PolarHBondContact O-N 2.96Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.29Å; L194-L197 PolarHBondContact O-N 2.95Å; L194-L198 HydrophobicContact CD1-CD1 4.27Å; L194-L198 HydrophobicContact CD1-CG 4.21Å; L194-L198 HydrophobicContact CG-CD1 3.99Å; L194-L198 HydrophobicContact CG-CG 4.37Å; L194-L198 VanDerWaalsContact O-CG 3.32Å; L194-L198 WeakPolarHBondContact O-CG 3.32Å; L194-L198 PolarHBondContact O-N 3.13Å; L194-V214 HydrophobicContact CB-CG1 4.02Å; L194-V214 HydrophobicContact CD2-CG1 3.83Å; L194-V214 HydrophobicContact CG-CG1 3.87Å; L194-I217 HydrophobicContact CD2-CB 4.46Å; L194-I217 HydrophobicContact CD2-CG2 4.18Å; L194-K218 HydrophobicContact CD2-CB 3.77Å; L194-A254 HydrophobicContact CD1-CB 3.94Å; L194-A258 HydrophobicContact CB-CB 3.86Å; L194-A258 HydrophobicContact CD1-CB 3.86Å; L194-A258 HydrophobicContact CG-CB 4.38Å
195R95.4Very high93.4Very high84 Ų8443.7 Ų43.732%0.31721%0.213SC..Hα-helixtrans-56.9-43174.1-178.6179.367166.73.6112S191 R192 Y193 R199 F205 V214S191-R195 PolarHBondContact O-N 3.15Å; R192-R195 WeakPolarHBondContact O-CB 3.42Å; R192-R195 PolarHBondContact O-N 2.66Å; Y193-R195 VanDerWaalsContact C-N 3.31Å; Y193-R195 PolarHBondContact O-N 3.19Å; R195-R199 WeakPolarHBondContact O-CB 3.2Å; R195-R199 PolarHBondContact O-N 2.84Å; R195-F205 VanDerWaalsContact CD-O 3.27Å; R195-F205 WeakPolarHBondContact CD-O 3.16Å; R195-F205 HydrophobicContact CG-CB 4.29Å; R195-V214 HydrophobicContact CB-CG1 4.12Å; R195-V214 HydrophobicContact CB-CG2 4.31Å; R195-V214 HydrophobicContact CG-CG2 4.48Å
196L94.3Very high93.2Very high78 Ų7850.1 Ų50.141%0.40824%0.243SC..Hα-helixtrans-65.2-39.8177.4-179.465.2000112R192 Y193 L194 R199 K200R192-L196 PolarHBondContact O-N 3.26Å; R192-L196 VanDerWaalsContact O-N 3.14Å; Y193-L196 HydrophobicContact CD2-CD2 4.41Å; Y193-L196 WeakPolarHBondContact O-CB 3.47Å; Y193-L196 PolarHBondContact O-N 3.01Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.29Å; L196-R199 WeakPolarHBondContact O-CB 3.45Å; L196-R199 PolarHBondContact O-N 3.12Å; L196-K200 PolarHBondContact O-N 2.59Å
197L93.4Very high93Very high13 Ų1351.7 Ų51.77%0.06825%0.252CS..Hα-helixtrans-66.3-44.9176.8-66.9177000111.8Y193 L194 R199 K200 E201 A254 R257 A258Y193-L197 HydrophobicContact CD1-CD1 4.11Å; Y193-L197 HydrophobicContact CE1-CD1 3.78Å; Y193-L197 HydrophobicContact CE1-CG 4.34Å; Y193-L197 HydrophobicContact CE2-CD2 4.15Å; Y193-L197 HydrophobicContact CE2-CG 4.23Å; Y193-L197 WeakPolarHBondContact O-CG 3.28Å; Y193-L197 PolarHBondContact O-N 3.49Å; L194-L197 PolarHBondContact O-N 2.95Å; L197-R199 VanDerWaalsContact C-N 3.25Å; L197-R199 PolarHBondContact O-N 3.25Å; L197-K200 WeakPolarHBondContact O-CA 3.19Å; L197-K200 WeakPolarHBondContact O-CB 3.37Å; L197-K200 PolarHBondContact O-N 3.12Å; L197-E201 PolarHBondContact O-N 3.43Å; L197-E201 VanDerWaalsContact O-N 3.09Å; L197-A254 HydrophobicContact CB-CB 3.88Å; L197-A254 HydrophobicContact CD1-CB 4.25Å; L197-R257 HydrophobicContact CD1-CB 3.89Å; L197-A258 HydrophobicContact CD1-CB 4.23Å
198L92.9Very high92.8Very high1 Ų153.4 Ų53.41%0.00527%0.265CS..Hα-helixtrans-60.9-36.5176.1-69.1172.1000111.7L194 K200 E201 G202 V203 F205 V214 I217 L249 V251L194-L198 HydrophobicContact CD1-CD1 4.27Å; L194-L198 HydrophobicContact CD1-CG 4.21Å; L194-L198 HydrophobicContact CG-CD1 3.99Å; L194-L198 HydrophobicContact CG-CG 4.37Å; L194-L198 VanDerWaalsContact O-CG 3.32Å; L194-L198 WeakPolarHBondContact O-CG 3.32Å; L194-L198 PolarHBondContact O-N 3.13Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.35Å; L198-E201 CarbonylContact O-C 3.59Å; L198-E201 WeakPolarHBondContact O-CA 3.44Å; L198-E201 PolarHBondContact O-N 2.73Å; L198-E201 VanDerWaalsContact O-N 3.09Å; L198-G202 PolarHBondContact O-N 3.03Å; L198-G202 VanDerWaalsContact O-N 3.14Å; L198-V203 CarbonylContact C-O 3.53Å; L198-V203 PolarHBondContact O-N 2.91Å; L198-F205 HydrophobicContact CD1-CD2 4.25Å; L198-F205 HydrophobicContact CD1-CE2 3.88Å; L198-V214 HydrophobicContact CD1-CG1 4.4Å; L198-I217 HydrophobicContact CD1-CD1 4.43Å; L198-L249 HydrophobicContact CD2-CD2 4.21Å; L198-V251 HydrophobicContact CD2-CG1 4.21Å
199R92.9Very high92.6Very high148 Ų14853.4 Ų53.456%0.55827%0.267SS*.Hα-helixtrans-62.4-38173.4-167.9177.9-167.2-153.20112.4R195 L196 L197 E201 G202 V203 D204R195-R199 WeakPolarHBondContact O-CB 3.2Å; R195-R199 PolarHBondContact O-N 2.84Å; L196-R199 WeakPolarHBondContact O-CB 3.45Å; L196-R199 PolarHBondContact O-N 3.12Å; L197-R199 VanDerWaalsContact C-N 3.25Å; L197-R199 PolarHBondContact O-N 3.25Å; R199-E201 VanDerWaalsContact C-N 3.28Å; R199-E201 PolarHBondContact O-N 3.1Å; R199-G202 PolarHBondContact O-N 3.11Å; R199-V203 VanDerWaalsContact CA-O 3.28Å; R199-V203 WeakPolarHBondContact CA-O 3.32Å; R199-V203 PolarHBondContact N-O 3.38Å; R199-D204 WeakPolarHBondContact CD-OD1 3.44Å; R199-D204 HydrophobicContact CG-CB 4.3Å; R199-D204 IonicContact CZ-OD2 2.85Å; R199-D204 VanDerWaalsContact NE-CG 3.32Å; R199-D204 IonicContact NE-OD1 3.16Å; R199-D204 PolarHBondContact NE-OD1 2.78Å; R199-D204 IonicContact NE-OD2 3.6Å; R199-D204 PolarHBondContact NE-OD2 2.94Å; R199-D204 IonicContact NH2-OD2 3.3Å; R199-D204 PolarHBondContact NH2-OD2 2.84Å
200K90.6Very high92.4Very high157 Ų15754.9 Ų54.968%0.68327%0.273SS*.Hα-helixtrans-67.4-29.8173.8-67.7177.2-180-179.80112.4L196 L197 L198L196-K200 PolarHBondContact O-N 2.59Å; L197-K200 WeakPolarHBondContact O-CA 3.19Å; L197-K200 WeakPolarHBondContact O-CB 3.37Å; L197-K200 PolarHBondContact O-N 3.12Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.35Å
201E86.6Confident92.3Very high79 Ų7955.8 Ų55.837%0.36928%0.277SS..THydrogen-bonded Turntrans-79.5-5.5174.8-66.4-179.9173.400112.9L197 L198 R199 P253L197-E201 PolarHBondContact O-N 3.43Å; L197-E201 VanDerWaalsContact O-N 3.09Å; L198-E201 CarbonylContact O-C 3.59Å; L198-E201 WeakPolarHBondContact O-CA 3.44Å; L198-E201 PolarHBondContact O-N 2.73Å; L198-E201 VanDerWaalsContact O-N 3.09Å; R199-E201 VanDerWaalsContact C-N 3.28Å; R199-E201 PolarHBondContact O-N 3.1Å; E201-P253 WeakPolarHBondContact OE1-CD 3.4Å
202G87.1Confident92.1Very high65 Ų6555.9 Ų55.967%0.6728%0.277SS*.THydrogen-bonded Turntrans106.62.6173.900000115.3L198 R199L198-G202 PolarHBondContact O-N 3.03Å; L198-G202 VanDerWaalsContact O-N 3.14Å; R199-G202 PolarHBondContact O-N 3.11Å
203V88.8Confident92Very high47 Ų4753 Ų5329%0.28527%0.269SS..  trans-111.6111.2-179.9-177.50000110.4L198 R199 F205 L249L198-V203 CarbonylContact C-O 3.53Å; L198-V203 PolarHBondContact O-N 2.91Å; R199-V203 VanDerWaalsContact CA-O 3.28Å; R199-V203 WeakPolarHBondContact CA-O 3.32Å; R199-V203 PolarHBondContact N-O 3.38Å; V203-F205 HydrophobicContact CG1-CD2 4.28Å; V203-F205 HydrophobicContact CG1-CE1 4.37Å; V203-F205 HydrophobicContact CG1-CE2 3.6Å; V203-F205 HydrophobicContact CG1-CZ 3.68Å; V203-L249 HydrophobicContact CB-CD1 4Å; V203-L249 HydrophobicContact CG1-CD1 4.08Å; V203-L249 HydrophobicContact CG2-CD1 3.48Å; V203-L249 VanDerWaalsContact CG2-CD1 3.48Å
204D90.8Very high92Very high81 Ų8152 Ų5243%0.43327%0.265SS..  trans-101.5116.7-175.6-156-3.4000111.6R199R199-D204 WeakPolarHBondContact CD-OD1 3.44Å; R199-D204 HydrophobicContact CG-CB 4.3Å; R199-D204 IonicContact CZ-OD2 2.85Å; R199-D204 VanDerWaalsContact NE-CG 3.32Å; R199-D204 IonicContact NE-OD1 3.16Å; R199-D204 PolarHBondContact NE-OD1 2.78Å; R199-D204 IonicContact NE-OD2 3.6Å; R199-D204 PolarHBondContact NE-OD2 2.94Å; R199-D204 IonicContact NH2-OD2 3.3Å; R199-D204 PolarHBondContact NH2-OD2 2.84Å
205F92.2Very high91.9Very high17 Ų1753.6 Ų53.68%0.07527%0.271CS..  trans-104.1109.2172.5-65.5-70000108.5R195 L198 V203 E210 V214 I217 L243 L249R195-F205 VanDerWaalsContact CD-O 3.27Å; R195-F205 WeakPolarHBondContact CD-O 3.16Å; R195-F205 HydrophobicContact CG-CB 4.29Å; L198-F205 HydrophobicContact CD1-CD2 4.25Å; L198-F205 HydrophobicContact CD1-CE2 3.88Å; V203-F205 HydrophobicContact CG1-CD2 4.28Å; V203-F205 HydrophobicContact CG1-CE1 4.37Å; V203-F205 HydrophobicContact CG1-CE2 3.6Å; V203-F205 HydrophobicContact CG1-CZ 3.68Å; F205-E210 WeakPolarHBondContact CA-OE2 3.38Å; F205-E210 HydrophobicContact CB-CB 3.97Å; F205-E210 HydrophobicContact CD1-CB 3.82Å; F205-E210 HydrophobicContact CD1-CG 4.05Å; F205-E210 HydrophobicContact CG-CB 4.33Å; F205-V214 HydrophobicContact CB-CG2 3.98Å; F205-V214 HydrophobicContact CD2-CG2 3.52Å; F205-V214 HydrophobicContact CE2-CG2 4.13Å; F205-V214 HydrophobicContact CG-CG2 3.78Å; F205-I217 HydrophobicContact CZ-CD1 4.45Å; F205-L243 HydrophobicContact CE1-CD2 4.46Å; F205-L243 HydrophobicContact CZ-CD1 4.42Å; F205-L243 HydrophobicContact CZ-CD2 4.13Å; F205-L249 HydrophobicContact CE2-CD2 4.47Å; F205-L249 HydrophobicContact CZ-CD2 4.4Å
206H90.4Very high91.8Very high140 Ų14051 Ų5165%0.64827%0.265SS*.  trans-107.2-31.2-17260.9-71.9000112.6E210H206-E210 IonicContact CE1-OE1 2.73Å; H206-E210 IonicContact CE1-OE2 3.76Å; H206-E210 IonicContact CG-OE2 3.89Å; H206-E210 PolarHBondContact N-OE2 3.26Å; H206-E210 IonicContact ND1-OE1 3.43Å; H206-E210 IonicContact ND1-OE2 3.53Å; H206-E210 PolarHBondContact ND1-OE2 2.84Å; H206-E210 VanDerWaalsContact ND1-OE2 3.16Å
207T91.7Very high91.8Very high33 Ų3347.4 Ų47.420%0.20225%0.246CC..SBendtrans-83.2158.1-174.774.70000113.2A209 E210 F211T207-A209 PolarHBondContact O-N 3.26Å; T207-E210 PolarHBondContact N-OE2 3.37Å; T207-E210 PolarHBondContact O-N 2.87Å; T207-E210 WeakPolarHBondContact OG1-CB 3.49Å; T207-E210 WeakPolarHBondContact OG1-CG 3.5Å; T207-E210 PolarHBondContact OG1-N 3.36Å; T207-E210 VanDerWaalsContact OG1-N 3.14Å; T207-E210 PolarHBondContact OG1-OE1 3.39Å; T207-E210 PolarHBondContact OG1-OE2 2.76Å; T207-F211 PolarHBondContact O-N 2.83Å
208S91.1Very high91.9Very high37 Ų3747.3 Ų47.326%0.25925%0.245SC..Hα-helixtrans-62.7-29.5173.863.10000112.9I71 F211I71-S208 PolarHBondContact N-OG 2.92Å; I71-S208 VanDerWaalsContact N-OG 3.1Å; S208-F211 WeakPolarHBondContact O-CB 3.29Å
209A90Very high91.9Very high10 Ų1052.4 Ų52.48%0.08327%0.269CS..Hα-helixtrans-73.9-40.8177.900000111.3R66 T207 F211 E212R66-A209 HydrophobicContact CB-CB 4.13Å; R66-A209 VanDerWaalsContact O-CB 3.24Å; R66-A209 WeakPolarHBondContact O-CB 3.31Å; T207-A209 PolarHBondContact O-N 3.26Å; A209-F211 VanDerWaalsContact C-N 3.28Å; A209-F211 PolarHBondContact O-N 2.94Å; A209-E212 WeakPolarHBondContact O-CB 3.45Å; A209-E212 PolarHBondContact O-N 2.73Å
210E91.8Very high91.8Very high52 Ų5253.7 Ų53.724%0.24327%0.274CS..Hα-helixtrans-65.2-31.7173.4-75.4159.4-158.200112.4F205 H206 T207 E212 V213 V214F205-E210 WeakPolarHBondContact CA-OE2 3.38Å; F205-E210 HydrophobicContact CB-CB 3.97Å; F205-E210 HydrophobicContact CD1-CB 3.82Å; F205-E210 HydrophobicContact CD1-CG 4.05Å; F205-E210 HydrophobicContact CG-CB 4.33Å; H206-E210 IonicContact CE1-OE1 2.73Å; H206-E210 IonicContact CE1-OE2 3.76Å; H206-E210 IonicContact CG-OE2 3.89Å; H206-E210 PolarHBondContact N-OE2 3.26Å; H206-E210 IonicContact ND1-OE1 3.43Å; H206-E210 IonicContact ND1-OE2 3.53Å; H206-E210 PolarHBondContact ND1-OE2 2.84Å; H206-E210 VanDerWaalsContact ND1-OE2 3.16Å; T207-E210 PolarHBondContact N-OE2 3.37Å; T207-E210 PolarHBondContact O-N 2.87Å; T207-E210 WeakPolarHBondContact OG1-CB 3.49Å; T207-E210 WeakPolarHBondContact OG1-CG 3.5Å; T207-E210 PolarHBondContact OG1-N 3.36Å; T207-E210 VanDerWaalsContact OG1-N 3.14Å; T207-E210 PolarHBondContact OG1-OE1 3.39Å; T207-E210 PolarHBondContact OG1-OE2 2.76Å; E210-E212 PolarHBondContact O-N 3.43Å; E210-V213 WeakPolarHBondContact O-CA 3.34Å; E210-V213 VanDerWaalsContact O-CB 3.26Å; E210-V213 WeakPolarHBondContact O-CB 3.31Å; E210-V213 PolarHBondContact O-N 2.93Å; E210-V214 PolarHBondContact O-N 3.21Å; E210-V214 VanDerWaalsContact O-N 3.11Å
211F94.3Very high91.8Very high20 Ų2046.6 Ų46.69%0.08824%0.244CC..Hα-helixtrans-57.6-35.2175-175.1-110.6000112.7R188 R192 T207 S208 A209 V213 V214 R215R188-F211 HydrophobicContact CG-CE1 4.43Å; R188-F211 HydrophobicContact CG-CZ 4.27Å; R192-F211 HydrophobicContact CB-CE2 4.43Å; R192-F211 HydrophobicContact CG-CE2 3.72Å; R192-F211 HydrophobicContact CG-CZ 3.74Å; T207-F211 PolarHBondContact O-N 2.83Å; S208-F211 WeakPolarHBondContact O-CB 3.29Å; A209-F211 VanDerWaalsContact C-N 3.28Å; A209-F211 PolarHBondContact O-N 2.94Å; F211-V213 VanDerWaalsContact C-N 3.32Å; F211-V213 PolarHBondContact O-N 3.23Å; F211-V214 WeakPolarHBondContact O-CB 3.22Å; F211-V214 PolarHBondContact O-N 2.66Å; F211-R215 PolarHBondContact O-N 2.75Å
212E93.8Very high92.1Very high2 Ų243.1 Ų43.11%0.00923%0.229CC..Hα-helixtrans-69.7-27.9173.7-80.3-64123.400113.2Y38 R66 I71 Y73 A209 E210 V214 R215 T216Y38-E212 HydrophobicContact CE1-CG 4.26Å; R66-E212 IonicContact NH1-OE2 3.25Å; R66-E212 PolarHBondContact NH1-OE2 3.26Å; I71-E212 HydrophobicContact CD1-CG 4.27Å; Y73-E212 PolarHBondContact OH-OE1 3.22Å; A209-E212 WeakPolarHBondContact O-CB 3.45Å; A209-E212 PolarHBondContact O-N 2.73Å; E210-E212 PolarHBondContact O-N 3.43Å; E212-V214 VanDerWaalsContact C-N 3.35Å; E212-R215 WeakPolarHBondContact O-CB 3.39Å; E212-R215 PolarHBondContact O-N 3.16Å; E212-R215 IonicContact OE1-NE 3.28Å; E212-R215 IonicContact OE2-CZ 3.95Å; E212-R215 IonicContact OE2-NE 3.73Å; E212-R215 PolarHBondContact OE2-NE 2.92Å; E212-R215 IonicContact OE2-NH2 2.83Å; E212-R215 PolarHBondContact OE2-NH2 3.06Å; E212-T216 PolarHBondContact O-N 2.93Å; E212-T216 PolarHBondContact O-OG1 3.2Å
213V93.1Very high92.4Very high27 Ų2742.6 Ų42.616%0.16421%0.207CC..Hα-helixtrans-65.5-43.2171.2-176.90000109.6E210 F211 R215 T216 I217 L243 P244E210-V213 WeakPolarHBondContact O-CA 3.34Å; E210-V213 VanDerWaalsContact O-CB 3.26Å; E210-V213 WeakPolarHBondContact O-CB 3.31Å; E210-V213 PolarHBondContact O-N 2.93Å; F211-V213 VanDerWaalsContact C-N 3.32Å; F211-V213 PolarHBondContact O-N 3.23Å; V213-R215 VanDerWaalsContact C-N 3.31Å; V213-R215 PolarHBondContact O-N 3.08Å; V213-T216 WeakPolarHBondContact O-CB 3.45Å; V213-T216 PolarHBondContact O-N 3.45Å; V213-I217 HydrophobicContact CG1-CD1 4.21Å; V213-I217 WeakPolarHBondContact O-CG1 3.06Å; V213-I217 PolarHBondContact O-N 2.9Å; V213-L243 HydrophobicContact CG1-CD2 3.69Å; V213-P244 HydrophobicContact CG1-CG 4.45Å; V213-P244 HydrophobicContact CG2-CG 4.19Å
214V95Very high92.6Very high0 Ų040.7 Ų40.70%020%0.195CC..Hα-helixtrans-60-40.7174.2-177.70000111.5S191 L194 R195 L198 F205 E210 F211 E212 T216 I217 K218S191-V214 WeakPolarHBondContact O-CG1 3.36Å; L194-V214 HydrophobicContact CB-CG1 4.02Å; L194-V214 HydrophobicContact CD2-CG1 3.83Å; L194-V214 HydrophobicContact CG-CG1 3.87Å; R195-V214 HydrophobicContact CB-CG1 4.12Å; R195-V214 HydrophobicContact CB-CG2 4.31Å; R195-V214 HydrophobicContact CG-CG2 4.48Å; L198-V214 HydrophobicContact CD1-CG1 4.4Å; F205-V214 HydrophobicContact CB-CG2 3.98Å; F205-V214 HydrophobicContact CD2-CG2 3.52Å; F205-V214 HydrophobicContact CE2-CG2 4.13Å; F205-V214 HydrophobicContact CG-CG2 3.78Å; E210-V214 PolarHBondContact O-N 3.21Å; E210-V214 VanDerWaalsContact O-N 3.11Å; F211-V214 WeakPolarHBondContact O-CB 3.22Å; F211-V214 PolarHBondContact O-N 2.66Å; E212-V214 VanDerWaalsContact C-N 3.35Å; V214-T216 VanDerWaalsContact C-N 3.3Å; V214-T216 PolarHBondContact O-N 3.47Å; V214-I217 PolarHBondContact O-N 2.81Å; V214-K218 PolarHBondContact O-N 3.31Å
215R94.5Very high92.5Very high34 Ų3437.3 Ų37.313%0.12818%0.178CC..Hα-helixtrans-58.8-42.1173.1-173.9178.379.998.5-11.6111.8F211 E212 V213 K218 E219F211-R215 PolarHBondContact O-N 2.75Å; E212-R215 WeakPolarHBondContact O-CB 3.39Å; E212-R215 PolarHBondContact O-N 3.16Å; E212-R215 IonicContact OE1-NE 3.28Å; E212-R215 IonicContact OE2-CZ 3.95Å; E212-R215 IonicContact OE2-NE 3.73Å; E212-R215 PolarHBondContact OE2-NE 2.92Å; E212-R215 IonicContact OE2-NH2 2.83Å; E212-R215 PolarHBondContact OE2-NH2 3.06Å; V213-R215 VanDerWaalsContact C-N 3.31Å; V213-R215 PolarHBondContact O-N 3.08Å; R215-K218 WeakPolarHBondContact O-CB 3.26Å; R215-K218 PolarHBondContact O-N 3.21Å; R215-E219 WeakPolarHBondContact CG-OE1 3.43Å; R215-E219 IonicContact CZ-OE1 3.74Å; R215-E219 IonicContact NE-OE1 2.78Å; R215-E219 IonicContact NH1-OE1 3.93Å; R215-E219 PolarHBondContact NH1-OE1 3.43Å; R215-E219 IonicContact NH1-OE2 2.66Å; R215-E219 WeakPolarHBondContact O-CG 3.45Å; R215-E219 PolarHBondContact O-N 3.33Å; R215-E219 VanDerWaalsContact O-N 3.08Å
216T93.1Very high92.3Very high31 Ų3140.2 Ų40.219%0.1919%0.193CC..Hα-helixtrans-67.2-39.3178.5-51.30000111.8E212 V213 V214 E219 R220 Y241E212-T216 PolarHBondContact O-N 2.93Å; E212-T216 PolarHBondContact O-OG1 3.2Å; V213-T216 WeakPolarHBondContact O-CB 3.45Å; V213-T216 PolarHBondContact O-N 3.45Å; V214-T216 VanDerWaalsContact C-N 3.3Å; V214-T216 PolarHBondContact O-N 3.47Å; T216-E219 PolarHBondContact O-N 3.45Å; T216-R220 WeakPolarHBondContact O-CG 3.43Å; T216-R220 PolarHBondContact O-N 3.42Å; T216-R220 VanDerWaalsContact O-N 3.11Å; T216-Y241 WeakPolarHBondContact CG2-OH 3.35Å
217I93.4Very high92.1Very high1 Ų137 Ų371%0.00518%0.181CC..Hα-helixtrans-61.5-46.5174-65.8164.6000110L194 L198 F205 V213 V214 E219 R220 A221 Y241 L243 L249 V251L194-I217 HydrophobicContact CD2-CB 4.46Å; L194-I217 HydrophobicContact CD2-CG2 4.18Å; L198-I217 HydrophobicContact CD1-CD1 4.43Å; F205-I217 HydrophobicContact CZ-CD1 4.45Å; V213-I217 HydrophobicContact CG1-CD1 4.21Å; V213-I217 WeakPolarHBondContact O-CG1 3.06Å; V213-I217 PolarHBondContact O-N 2.9Å; V214-I217 PolarHBondContact O-N 2.81Å; I217-E219 VanDerWaalsContact C-N 3.33Å; I217-E219 PolarHBondContact O-N 2.81Å; I217-R220 PolarHBondContact O-N 3.33Å; I217-A221 HydrophobicContact CG2-CB 4.29Å; I217-A221 VanDerWaalsContact O-CB 3.31Å; I217-A221 WeakPolarHBondContact O-CB 3.41Å; I217-A221 PolarHBondContact O-N 3.16Å; I217-Y241 HydrophobicContact CD1-CD1 4.25Å; I217-Y241 HydrophobicContact CD1-CE1 4.33Å; I217-Y241 HydrophobicContact CG1-CD1 3.73Å; I217-Y241 HydrophobicContact CG1-CE1 3.6Å; I217-Y241 HydrophobicContact CG1-CE2 4.44Å; I217-Y241 HydrophobicContact CG1-CG 4.22Å; I217-L243 HydrophobicContact CD1-CD2 4.19Å; I217-L249 HydrophobicContact CD1-CD2 3.81Å; I217-V251 HydrophobicContact CG2-CG2 4.14Å
218K95.1Very high91.5Very high11 Ų1136.6 Ų36.65%0.04818%0.179CC..Hα-helixtrans-53.2-50.3175.7177.2-164.470.7174.80111.4G187 V190 S191 L194 V214 R215 R220 C222 F307G187-K218 PolarHBondContact O-NZ 2.86Å; V190-K218 HydrophobicContact CB-CD 4.26Å; V190-K218 HydrophobicContact CG1-CD 3.83Å; V190-K218 HydrophobicContact CG1-CG 4.17Å; S191-K218 WeakPolarHBondContact OG-CD 3.26Å; S191-K218 WeakPolarHBondContact OG-CE 3.34Å; S191-K218 PolarHBondContact OG-NZ 3.02Å; L194-K218 HydrophobicContact CD2-CB 3.77Å; V214-K218 PolarHBondContact O-N 3.31Å; R215-K218 WeakPolarHBondContact O-CB 3.26Å; R215-K218 PolarHBondContact O-N 3.21Å; K218-R220 PolarHBondContact O-N 3.01Å; K218-C222 VanDerWaalsContact O-CB 3.25Å; K218-C222 WeakPolarHBondContact O-CB 3.48Å; K218-C222 PolarHBondContact O-N 3.32Å; K218-F307 HydrophobicContact CD-CE1 4.47Å; K218-F307 HydrophobicContact CD-CZ 3.94Å; K218-F307 HydrophobicContact CG-CE1 3.79Å; K218-F307 HydrophobicContact CG-CZ 3.74Å
219E92.9Very high91.1Very high109 Ų10942.9 Ų42.951%0.50920%0.204SC..Hα-helixtrans-67.1-34-175.9-71.4170.3-166.700113.2R215 T216 I217R215-E219 WeakPolarHBondContact CG-OE1 3.43Å; R215-E219 IonicContact CZ-OE1 3.74Å; R215-E219 IonicContact NE-OE1 2.78Å; R215-E219 IonicContact NH1-OE1 3.93Å; R215-E219 PolarHBondContact NH1-OE1 3.43Å; R215-E219 IonicContact NH1-OE2 2.66Å; R215-E219 WeakPolarHBondContact O-CG 3.45Å; R215-E219 PolarHBondContact O-N 3.33Å; R215-E219 VanDerWaalsContact O-N 3.08Å; T216-E219 PolarHBondContact O-N 3.45Å; I217-E219 VanDerWaalsContact C-N 3.33Å; I217-E219 PolarHBondContact O-N 2.81Å
220R91.7Very high90.7Very high174 Ų17448.8 Ų48.866%0.65723%0.228SC*.Hα-helixtrans-91.5-39.3-175.8-68.1179.5176.2-173.1-0.8113.9T216 I217 K218 Y241T216-R220 WeakPolarHBondContact O-CG 3.43Å; T216-R220 PolarHBondContact O-N 3.42Å; T216-R220 VanDerWaalsContact O-N 3.11Å; I217-R220 PolarHBondContact O-N 3.33Å; K218-R220 PolarHBondContact O-N 3.01Å; R220-Y241 HydrophobicContact CB-CE2 4.26Å
221A90.5Very high90.2Very high8 Ų848.1 Ų48.17%0.06623%0.226CC..Hα-helixtrans-103.6-29.2-167.100000113.9I217 R255I217-A221 HydrophobicContact CG2-CB 4.29Å; I217-A221 VanDerWaalsContact O-CB 3.31Å; I217-A221 WeakPolarHBondContact O-CB 3.41Å; I217-A221 PolarHBondContact O-N 3.16Å; A221-R255 HydrophobicContact CB-CG 4.43Å; A221-R255 VanDerWaalsContact O-CZ 3.23Å; A221-R255 PolarHBondContact O-NE 2.96Å; A221-R255 PolarHBondContact O-NH2 3.33Å
222C93.1Very high89.4Confident7 Ų752.5 Ų52.55%0.04725%0.247CC..  trans-76.1152.5-173.8-68.60000113.4K218 R255 P259 F307K218-C222 VanDerWaalsContact O-CB 3.25Å; K218-C222 WeakPolarHBondContact O-CB 3.48Å; K218-C222 PolarHBondContact O-N 3.32Å; C222-R255 VanDerWaalsContact CA-O 3.25Å; C222-R255 WeakPolarHBondContact CA-O 3.3Å; C222-R255 WeakPolarHBondContact CB-O 3.4Å; C222-R255 PolarHBondContact SG-O 2.88Å; C222-P259 HydrophobicContact CB-CG 4.33Å; C222-F307 HydrophobicContact CB-CD1 4.04Å; C222-F307 HydrophobicContact CB-CE1 3.75Å
223Y92.8Very high88.5Confident54 Ų5456.5 Ų56.521%0.21228%0.281CS..BIsolated β-bridgetrans-149.6158174.765.7-86.2000109.6R255 F256 P259Y223-R255 HydrophobicContact CD1-CB 4.41Å; Y223-R255 HydrophobicContact CE1-CB 4.2Å; Y223-R255 PolarHBondContact N-O 2.84Å; Y223-F256 HydrophobicContact CD2-CB 4.4Å; Y223-F256 HydrophobicContact CE1-CB 4.32Å; Y223-F256 HydrophobicContact CE2-CB 3.93Å; Y223-F256 WeakPolarHBondContact O-CA 3.23Å; Y223-P259 WeakPolarHBondContact O-CG 3.44Å
224L92.8Very high87.7Confident7 Ų760.8 Ų60.84%0.03730%0.302CS..  trans-99.3132.4174.2-82.9163.5000110.3P259 F263 F307 K308 F310L224-P259 HydrophobicContact CD2-CB 3.74Å; L224-P259 HydrophobicContact CD2-CG 4.01Å; L224-P259 HydrophobicContact CG-CB 3.86Å; L224-P259 HydrophobicContact CG-CG 4.11Å; L224-F263 HydrophobicContact CD1-CE2 3.67Å; L224-F263 HydrophobicContact CD1-CZ 4.45Å; L224-F263 HydrophobicContact CD2-CD2 3.99Å; L224-F263 HydrophobicContact CD2-CE2 3.91Å; L224-F263 HydrophobicContact CG-CE2 4.44Å; L224-F307 HydrophobicContact CD1-CB 3.93Å; L224-F307 HydrophobicContact CD1-CD2 4.44Å; L224-F307 HydrophobicContact CG-CB 4.24Å; L224-K308 PolarHBondContact N-O 3.11Å; L224-F310 HydrophobicContact CD1-CB 3.87Å; L224-F310 HydrophobicContact CD1-CD2 3.44Å; L224-F310 VanDerWaalsContact CD1-CD2 3.44Å; L224-F310 HydrophobicContact CD1-CE2 4.37Å; L224-F310 HydrophobicContact CD1-CG 4.06Å
225S89.2Confident86.3Confident9 Ų970.4 Ų70.46%0.06335%0.347CS..  trans-87.3148.7173.2-172.40000110.6N227 D231 R313S225-N227 VanDerWaalsContact C-N 3.34Å; S225-N227 PolarHBondContact OG-N 3.11Å; S225-N227 PolarHBondContact OG-O 3.05Å; S225-D231 WeakPolarHBondContact CB-OD2 3.04Å; S225-D231 PolarHBondContact OG-OD1 3.04Å; S225-D231 PolarHBondContact OG-OD2 3.08Å; S225-R313 VanDerWaalsContact O-CD 3.25Å; S225-R313 WeakPolarHBondContact O-CD 3.39Å; S225-R313 PolarHBondContact O-NE 3.45Å
226I87.8Confident84.9Confident78 Ų7870.5 Ų70.540%0.435%0.351SS..SBendtrans-71.5-35.2170.3-63.6173000110.4D312 R313I226-D312 HydrophobicContact CD1-CB 4.16Å; I226-D312 HydrophobicContact CG1-CB 4.38Å; I226-R313 PolarHBondContact O-NH1 3.26Å
227N85.9Confident83.7Confident72 Ų7277 Ų7739%0.38538%0.379SS..  trans-134.690.3-176.9-71.5-46.1000109.8S225 Q229 K230 D231S225-N227 VanDerWaalsContact C-N 3.34Å; S225-N227 PolarHBondContact OG-N 3.11Å; S225-N227 PolarHBondContact OG-O 3.05Å; N227-Q229 PolarHBondContact O-N 3.44Å; N227-Q229 VanDerWaalsContact O-N 3.16Å; N227-K230 HydrophobicContact CB-CB 4.21Å; N227-K230 HydrophobicContact CB-CD 4.09Å; N227-K230 HydrophobicContact CB-CG 4.08Å; N227-K230 PolarHBondContact O-N 3.03Å; N227-D231 PolarHBondContact O-N 3.14Å
228P80.1Confident82.9Confident26 Ų2684 Ų8417%0.16941%0.41CS..Hα-helixtrans-58.9-34.2-174.622.2-33.4000112.9K230 D231 E232 E260P228-K230 VanDerWaalsContact C-N 3.29Å; P228-K230 PolarHBondContact O-N 3.11Å; P228-D231 PolarHBondContact O-N 3.31Å; P228-E232 WeakPolarHBondContact O-CB 3.48Å; P228-E232 PolarHBondContact O-N 3.4Å; P228-E260 HydrophobicContact CB-CG 4.3Å
229Q82.3Confident82.2Confident168 Ų16886.2 Ų86.279%0.78542%0.424SS*.Hα-helixtrans-62.4-32.3177.9-66.1177.9-15.500113.6N227 A233N227-Q229 PolarHBondContact O-N 3.44Å; N227-Q229 VanDerWaalsContact O-N 3.16Å; Q229-A233 PolarHBondContact O-N 3.21Å
230K82.1Confident81.9Confident134 Ų13487.3 Ų87.358%0.58343%0.429SS*.Hα-helixtrans-76.6-41.7178.9-70.3-172.8178.2-177.10111N227 P228 E232 A233 L234N227-K230 HydrophobicContact CB-CB 4.21Å; N227-K230 HydrophobicContact CB-CD 4.09Å; N227-K230 HydrophobicContact CB-CG 4.08Å; N227-K230 PolarHBondContact O-N 3.03Å; P228-K230 VanDerWaalsContact C-N 3.29Å; P228-K230 PolarHBondContact O-N 3.11Å; K230-E232 VanDerWaalsContact C-N 3.25Å; K230-E232 PolarHBondContact O-N 3.25Å; K230-A233 PolarHBondContact O-N 3.24Å; K230-L234 WeakPolarHBondContact O-CG 3.47Å; K230-L234 PolarHBondContact O-N 3.23Å; K230-L234 VanDerWaalsContact O-N 3.09Å
231D79.8Confident81.7Confident39 Ų3980.4 Ų80.421%0.20940%0.404CS..Hα-helixtrans-70.9-25.2179.3-71.614.5000111.8S225 N227 P228 T236 F256S225-D231 WeakPolarHBondContact CB-OD2 3.04Å; S225-D231 PolarHBondContact OG-OD1 3.04Å; S225-D231 PolarHBondContact OG-OD2 3.08Å; N227-D231 PolarHBondContact O-N 3.14Å; P228-D231 PolarHBondContact O-N 3.31Å; D231-T236 PolarHBondContact O-OG1 3.43Å; D231-F256 HydrophobicContact CB-CE2 4.4Å; D231-F256 HydrophobicContact CB-CZ 4.49Å
232E78.3Confident81.6Confident111 Ų11184.3 Ų84.352%0.51943%0.427SS..Hα-helixtrans-74.5-29.9171-173.9161.4-137.800113.1P228 K230 R257P228-E232 WeakPolarHBondContact O-CB 3.48Å; P228-E232 PolarHBondContact O-N 3.4Å; K230-E232 VanDerWaalsContact C-N 3.25Å; K230-E232 PolarHBondContact O-N 3.25Å; E232-R257 IonicContact OE1-CZ 2.71Å; E232-R257 IonicContact OE1-NE 3.62Å; E232-R257 IonicContact OE1-NH2 2.8Å; E232-R257 PolarHBondContact OE1-NH2 3.01Å
233A74.3Confident81.4Confident87 Ų8785 Ų8572%0.71943%0.429SS*.Hα-helixtrans-78.8-23.4175.700000113Q229 K230Q229-A233 PolarHBondContact O-N 3.21Å; K230-A233 PolarHBondContact O-N 3.24Å
234L77.2Confident81.1Confident116 Ų11687.8 Ų87.861%0.60745%0.454SS*.SBendtrans-87124.7173.8-70.4161.6000108.7K230 T236K230-L234 WeakPolarHBondContact O-CG 3.47Å; K230-L234 PolarHBondContact O-N 3.23Å; K230-L234 VanDerWaalsContact O-N 3.09Å; L234-T236 PolarHBondContact O-N 3.1Å; L234-T236 PolarHBondContact O-OG1 3.07Å
235E65.5Low80.7Confident202 Ų20293.3 Ų93.394%0.94448%0.484SS*.  trans-61.4103.4174.6-158.6172.2-156.400108.6E237E235-E237 PolarHBondContact O-N 3.09Å
236T64.8Low80.6Confident36 Ų3695.5 Ų95.522%0.22151%0.508CS..PPolyproline II helixtrans-70.1132.6-168.7-44.50000110.2D231 L234 K238 F256D231-T236 PolarHBondContact O-OG1 3.43Å; L234-T236 PolarHBondContact O-N 3.1Å; L234-T236 PolarHBondContact O-OG1 3.07Å; T236-K238 PolarHBondContact O-N 3.44Å; T236-K238 VanDerWaalsContact O-N 3.13Å; T236-F256 HydrophobicContact CG2-CD1 4.44Å; T236-F256 HydrophobicContact CG2-CE1 4.31Å; T236-F256 WeakPolarHBondContact OG1-CE1 3.4Å
237E67.8Low80.6Confident168 Ų16894.1 Ų94.179%0.78551%0.505SS*.PPolyproline II helixtrans-57.7118.3172.2-69.1-176.4170.700110.4E235 V239E235-E237 PolarHBondContact O-N 3.09Å; E237-V239 PolarHBondContact O-N 3.17Å
238K76.5Confident80.8Confident148 Ų14895 Ų9564%0.64351%0.514SS*.PPolyproline II helixtrans-66.6124.8173.5-65-179.9180-1770108.4T236 D250T236-K238 PolarHBondContact O-N 3.44Å; T236-K238 VanDerWaalsContact O-N 3.13Å; K238-D250 HydrophobicContact CB-CB 4.42Å; K238-D250 HydrophobicContact CD-CB 4.26Å
239V81.9Confident81.2Confident57 Ų5794.3 Ų94.335%0.34551%0.508SS..EExtended strand (participates in β ladder)trans-99.5125.3172.31660000109E237 V251E237-V239 PolarHBondContact O-N 3.17Å; V239-V251 PolarHBondContact N-O 3.16Å; V239-V251 PolarHBondContact O-N 3.41Å
240Q85.2Confident81.4Confident133 Ų13389.7 Ų89.762%0.62149%0.489SS*.EExtended strand (participates in β ladder)trans-73.6126.9173.3-78.4177.40.800110.3D250Q240-D250 WeakPolarHBondContact CG-OD1 3.26Å
241Y86.9Confident81.6Confident29 Ų2983.3 Ų83.311%0.11446%0.461CS..EExtended strand (participates in β ladder)trans-115.7126173.6-174.9-91000109.8T216 I217 R220 L243 L249T216-Y241 WeakPolarHBondContact CG2-OH 3.35Å; I217-Y241 HydrophobicContact CD1-CD1 4.25Å; I217-Y241 HydrophobicContact CD1-CE1 4.33Å; I217-Y241 HydrophobicContact CG1-CD1 3.73Å; I217-Y241 HydrophobicContact CG1-CE1 3.6Å; I217-Y241 HydrophobicContact CG1-CE2 4.44Å; I217-Y241 HydrophobicContact CG1-CG 4.22Å; R220-Y241 HydrophobicContact CB-CE2 4.26Å; Y241-L243 HydrophobicContact CD1-CD2 4.14Å; Y241-L243 HydrophobicContact CE1-CD2 4.23Å; Y241-L249 PolarHBondContact N-O 3.29Å; Y241-L249 PolarHBondContact O-N 2.71Å
242T89.7Confident81.8Confident90 Ų9081.6 Ų81.655%0.55245%0.453SS*.EExtended strand (participates in β ladder)trans-84.2120.7176.3-47.40000110.3S247T242-S247 CarbonylContact C-O 3.56Å; T242-S247 WeakPolarHBondContact CA-O 3.02Å
243L88.7Confident82.3Confident20 Ų2078.2 Ų78.211%0.10544%0.44CS..  trans-75.7162176.3-69.1175.4000111.2F205 V213 I217 Y241 D245 G246 S247 L249F205-L243 HydrophobicContact CE1-CD2 4.46Å; F205-L243 HydrophobicContact CZ-CD1 4.42Å; F205-L243 HydrophobicContact CZ-CD2 4.13Å; V213-L243 HydrophobicContact CG1-CD2 3.69Å; I217-L243 HydrophobicContact CD1-CD2 4.19Å; Y241-L243 HydrophobicContact CD1-CD2 4.14Å; Y241-L243 HydrophobicContact CE1-CD2 4.23Å; L243-D245 WeakPolarHBondContact CB-OD1 3.22Å; L243-D245 PolarHBondContact O-N 3.02Å; L243-D245 VanDerWaalsContact O-N 3.12Å; L243-G246 PolarHBondContact O-N 2.57Å; L243-S247 VanDerWaalsContact CD1-OG 3.29Å; L243-S247 WeakPolarHBondContact CD1-OG 3.36Å; L243-S247 PolarHBondContact N-O 3.4Å; L243-L249 HydrophobicContact CD1-CB 4.34Å; L243-L249 HydrophobicContact CG-CB 4.32Å
244P85.9Confident83Confident113 Ų11374.1 Ų74.173%0.73441%0.406SS*.THydrogen-bonded Turntrans-60.6-20.4-179.6-24.835000114.9V213 G246V213-P244 HydrophobicContact CG1-CG 4.45Å; V213-P244 HydrophobicContact CG2-CG 4.19Å; P244-G246 VanDerWaalsContact C-N 3.29Å
245D84.6Confident83.6Confident123 Ų12370.3 Ų70.366%0.65838%0.384SS*.THydrogen-bonded Turntrans-83.8-2.7175.464.2-4.4000113.3L243 S247L243-D245 WeakPolarHBondContact CB-OD1 3.22Å; L243-D245 PolarHBondContact O-N 3.02Å; L243-D245 VanDerWaalsContact O-N 3.12Å; D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 VanDerWaalsContact CG-OG 3.26Å; D245-S247 WeakPolarHBondContact OD1-CB 3.48Å; D245-S247 PolarHBondContact OD1-N 3.47Å; D245-S247 PolarHBondContact OD1-OG 3.44Å; D245-S247 PolarHBondContact OD2-OG 3.45Å
246G86.6Confident84.8Confident55 Ų5560.9 Ų60.957%0.56734%0.34SS*.SBendtrans87.2-4.4-17700000114.5L243 P244L243-G246 PolarHBondContact O-N 2.57Å; P244-G246 VanDerWaalsContact C-N 3.29Å
247S89.2Confident86.1Confident49 Ų4963.3 Ų63.334%0.34335%0.345SS..  trans-71.7155.6174.569.20000111.3T242 L243 D245T242-S247 CarbonylContact C-O 3.56Å; T242-S247 WeakPolarHBondContact CA-O 3.02Å; L243-S247 VanDerWaalsContact CD1-OG 3.29Å; L243-S247 WeakPolarHBondContact CD1-OG 3.36Å; L243-S247 PolarHBondContact N-O 3.4Å; D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 VanDerWaalsContact CG-OG 3.26Å; D245-S247 WeakPolarHBondContact OD1-CB 3.48Å; D245-S247 PolarHBondContact OD1-N 3.47Å; D245-S247 PolarHBondContact OD1-OG 3.44Å; D245-S247 PolarHBondContact OD2-OG 3.45Å
248T89.4Confident87.4Confident92 Ų9255.3 Ų55.356%0.56431%0.308SS*.EExtended strand (participates in β ladder)trans-106.8134.4178.948.50000110.5
249L88.6Confident88.3Confident11 Ų1148.2 Ų48.26%0.05828%0.277CS..EExtended strand (participates in β ladder)trans-115119.8178.3176.467000109.1L198 V203 F205 I217 Y241 L243 V251L198-L249 HydrophobicContact CD2-CD2 4.21Å; V203-L249 HydrophobicContact CB-CD1 4Å; V203-L249 HydrophobicContact CG1-CD1 4.08Å; V203-L249 HydrophobicContact CG2-CD1 3.48Å; V203-L249 VanDerWaalsContact CG2-CD1 3.48Å; F205-L249 HydrophobicContact CE2-CD2 4.47Å; F205-L249 HydrophobicContact CZ-CD2 4.4Å; I217-L249 HydrophobicContact CD1-CD2 3.81Å; Y241-L249 PolarHBondContact N-O 3.29Å; Y241-L249 PolarHBondContact O-N 2.71Å; L243-L249 HydrophobicContact CD1-CB 4.34Å; L243-L249 HydrophobicContact CG-CB 4.32Å; L249-V251 HydrophobicContact CD2-CG2 3.98Å; L249-V251 HydrophobicContact CG-CG2 4Å; L249-V251 PolarHBondContact O-N 3.35Å
250D87Confident88.8Confident71 Ų7145.8 Ų45.838%0.3826%0.262SS..EExtended strand (participates in β ladder)trans-78.1106.7170.3-75.6-22.5000109.4K238 Q240K238-D250 HydrophobicContact CB-CB 4.42Å; K238-D250 HydrophobicContact CD-CB 4.26Å; Q240-D250 WeakPolarHBondContact CG-OD1 3.26Å
251V84.8Confident89.3Confident0 Ų039.6 Ų39.60%023%0.233CC..EExtended strand (participates in β ladder)trans-94.7107.1173.7-158.70000108.2L198 I217 V239 L249 A254 R255L198-V251 HydrophobicContact CD2-CG1 4.21Å; I217-V251 HydrophobicContact CG2-CG2 4.14Å; V239-V251 PolarHBondContact N-O 3.16Å; V239-V251 PolarHBondContact O-N 3.41Å; L249-V251 HydrophobicContact CD2-CG2 3.98Å; L249-V251 HydrophobicContact CG-CG2 4Å; L249-V251 PolarHBondContact O-N 3.35Å; V251-A254 HydrophobicContact CG1-CB 4.37Å; V251-R255 HydrophobicContact CB-CG 3.81Å; V251-R255 HydrophobicContact CG1-CG 3.32Å; V251-R255 WeakPolarHBondContact O-CD 3.42Å
252G85.1Confident89.7Confident3 Ų338.2 Ų38.23%0.03123%0.228CC..  trans-93.3-118.3-178.700000112.4A254 R255G252-A254 PolarHBondContact O-N 3.02Å; G252-R255 WeakPolarHBondContact O-CG 3.47Å; G252-R255 PolarHBondContact O-N 3.13Å
253P87.9Confident90Very high39 Ų3934.2 Ų34.225%0.25320%0.202SC..THydrogen-bonded Turntrans-69.3-18.3-17529.6-36.2000114E201 R255 F256 R257E201-P253 WeakPolarHBondContact OE1-CD 3.4Å; P253-R255 PolarHBondContact O-N 2.71Å; P253-F256 VanDerWaalsContact CA-CE1 3.5Å; P253-F256 HydrophobicContact CB-CE1 3.71Å; P253-F256 HydrophobicContact CB-CZ 4.02Å; P253-F256 WeakPolarHBondContact O-CD1 3.42Å; P253-F256 PolarHBondContact O-N 3.4Å; P253-R257 WeakPolarHBondContact O-CB 3.47Å; P253-R257 WeakPolarHBondContact O-CG 3.25Å; P253-R257 PolarHBondContact O-N 2.85Å; P253-R257 VanDerWaalsContact O-N 3.13Å
254A89.6Confident90.3Very high1 Ų137.5 Ų37.51%0.00822%0.217CC..Hα-helixtrans-55.5-25.9175.500000113.4L194 L197 V251 G252 F256 A258L194-A254 HydrophobicContact CD1-CB 3.94Å; L197-A254 HydrophobicContact CB-CB 3.88Å; L197-A254 HydrophobicContact CD1-CB 4.25Å; V251-A254 HydrophobicContact CG1-CB 4.37Å; G252-A254 PolarHBondContact O-N 3.02Å; A254-F256 PolarHBondContact O-N 3.21Å; A254-A258 WeakPolarHBondContact O-CB 3.2Å; A254-A258 PolarHBondContact O-N 3.32Å
255R90.2Very high90.6Very high36 Ų3632.3 Ų32.314%0.13618%0.183CC..Hα-helixtrans-62.7-40.7-177.9-63.5176.561.3-153.71.9113.8A221 C222 Y223 V251 G252 P253 P259A221-R255 HydrophobicContact CB-CG 4.43Å; A221-R255 VanDerWaalsContact O-CZ 3.23Å; A221-R255 PolarHBondContact O-NE 2.96Å; A221-R255 PolarHBondContact O-NH2 3.33Å; C222-R255 VanDerWaalsContact CA-O 3.25Å; C222-R255 WeakPolarHBondContact CA-O 3.3Å; C222-R255 WeakPolarHBondContact CB-O 3.4Å; C222-R255 PolarHBondContact SG-O 2.88Å; Y223-R255 HydrophobicContact CD1-CB 4.41Å; Y223-R255 HydrophobicContact CE1-CB 4.2Å; Y223-R255 PolarHBondContact N-O 2.84Å; V251-R255 HydrophobicContact CB-CG 3.81Å; V251-R255 HydrophobicContact CG1-CG 3.32Å; V251-R255 WeakPolarHBondContact O-CD 3.42Å; G252-R255 WeakPolarHBondContact O-CG 3.47Å; G252-R255 PolarHBondContact O-N 3.13Å; P253-R255 PolarHBondContact O-N 2.71Å; R255-P259 VanDerWaalsContact O-CD 3.29Å; R255-P259 WeakPolarHBondContact O-CD 3.44Å
256F90.7Very high91.1Very high4 Ų432 Ų322%0.01818%0.182CC..Hα-helixtrans-97.2-32.1178.970.1-93.7000111.8Y223 D231 T236 P253 A254 A258 P259 E260Y223-F256 HydrophobicContact CD2-CB 4.4Å; Y223-F256 HydrophobicContact CE1-CB 4.32Å; Y223-F256 HydrophobicContact CE2-CB 3.93Å; Y223-F256 WeakPolarHBondContact O-CA 3.23Å; D231-F256 HydrophobicContact CB-CE2 4.4Å; D231-F256 HydrophobicContact CB-CZ 4.49Å; T236-F256 HydrophobicContact CG2-CD1 4.44Å; T236-F256 HydrophobicContact CG2-CE1 4.31Å; T236-F256 WeakPolarHBondContact OG1-CE1 3.4Å; P253-F256 VanDerWaalsContact CA-CE1 3.5Å; P253-F256 HydrophobicContact CB-CE1 3.71Å; P253-F256 HydrophobicContact CB-CZ 4.02Å; P253-F256 WeakPolarHBondContact O-CD1 3.42Å; P253-F256 PolarHBondContact O-N 3.4Å; A254-F256 PolarHBondContact O-N 3.21Å; F256-A258 PolarHBondContact O-N 3.44Å; F256-P259 VanDerWaalsContact O-CD 3.26Å; F256-P259 WeakPolarHBondContact O-CD 3.37Å; F256-P259 WeakPolarHBondContact O-CG 3.43Å; F256-E260 WeakPolarHBondContact O-CG 3.11Å
257R92Very high91.3Very high87 Ų8732.9 Ų32.933%0.32817%0.173SC..Hα-helixtrans-64.3-36.6176.6-71.4179.6174.3163.9-1.9113.3Y193 L197 E232 P253 E260Y193-R257 WeakPolarHBondContact CE1-O 3.42Å; L197-R257 HydrophobicContact CD1-CB 3.89Å; E232-R257 IonicContact OE1-CZ 2.71Å; E232-R257 IonicContact OE1-NE 3.62Å; E232-R257 IonicContact OE1-NH2 2.8Å; E232-R257 PolarHBondContact OE1-NH2 3.01Å; P253-R257 WeakPolarHBondContact O-CB 3.47Å; P253-R257 WeakPolarHBondContact O-CG 3.25Å; P253-R257 PolarHBondContact O-N 2.85Å; P253-R257 VanDerWaalsContact O-N 3.13Å; R257-E260 PolarHBondContact O-N 3.44Å
258A94.1Very high91.4Very high0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-60.8-53.4-178.300000113.6V190 L194 L197 A254 F256 E260 L261V190-A258 HydrophobicContact CG1-CB 4.33Å; L194-A258 HydrophobicContact CB-CB 3.86Å; L194-A258 HydrophobicContact CD1-CB 3.86Å; L194-A258 HydrophobicContact CG-CB 4.38Å; L197-A258 HydrophobicContact CD1-CB 4.23Å; A254-A258 WeakPolarHBondContact O-CB 3.2Å; A254-A258 PolarHBondContact O-N 3.32Å; F256-A258 PolarHBondContact O-N 3.44Å; A258-E260 VanDerWaalsContact C-N 3.29Å; A258-E260 PolarHBondContact O-N 3Å; A258-L261 VanDerWaalsContact O-CB 3.25Å; A258-L261 WeakPolarHBondContact O-CB 3.12Å; A258-L261 PolarHBondContact O-N 3.29Å
259P95.3Very high91.5Very high0 Ų033.3 Ų33.30%019%0.187CC..Hα-helixtrans-72.9-15.9-179.929.9-37.6000114.1C222 Y223 L224 R255 F256 L261 L262 F307C222-P259 HydrophobicContact CB-CG 4.33Å; Y223-P259 WeakPolarHBondContact O-CG 3.44Å; L224-P259 HydrophobicContact CD2-CB 3.74Å; L224-P259 HydrophobicContact CD2-CG 4.01Å; L224-P259 HydrophobicContact CG-CB 3.86Å; L224-P259 HydrophobicContact CG-CG 4.11Å; R255-P259 VanDerWaalsContact O-CD 3.29Å; R255-P259 WeakPolarHBondContact O-CD 3.44Å; F256-P259 VanDerWaalsContact O-CD 3.26Å; F256-P259 WeakPolarHBondContact O-CD 3.37Å; F256-P259 WeakPolarHBondContact O-CG 3.43Å; P259-L261 PolarHBondContact O-N 3.25Å; P259-L261 VanDerWaalsContact O-N 3.11Å; P259-L262 WeakPolarHBondContact O-CB 3.38Å; P259-L262 PolarHBondContact O-N 2.94Å; P259-F307 HydrophobicContact CB-CD1 4.26Å; P259-F307 HydrophobicContact CB-CD2 4.04Å; P259-F307 HydrophobicContact CB-CE1 4.21Å; P259-F307 HydrophobicContact CB-CE2 4.01Å; P259-F307 HydrophobicContact CB-CG 4.19Å; P259-F307 HydrophobicContact CB-CZ 4.09Å
260E94.3Very high91.6Very high6 Ų635.8 Ų35.83%0.02820%0.2CC..Hα-helixtrans-57.8-22.5170.8-73.7-55.3133.200112.3P228 F256 R257 A258 L262 F263 Q264 L267 R313P228-E260 HydrophobicContact CB-CG 4.3Å; F256-E260 WeakPolarHBondContact O-CG 3.11Å; R257-E260 PolarHBondContact O-N 3.44Å; A258-E260 VanDerWaalsContact C-N 3.29Å; A258-E260 PolarHBondContact O-N 3Å; E260-L262 PolarHBondContact O-N 3.14Å; E260-L262 VanDerWaalsContact O-N 3.11Å; E260-F263 CarbonylContact O-C 3.46Å; E260-F263 WeakPolarHBondContact O-CA 3.35Å; E260-F263 PolarHBondContact O-N 3.32Å; E260-Q264 PolarHBondContact O-N 2.61Å; E260-L267 HydrophobicContact CB-CD1 4.2Å; E260-R313 IonicContact OE2-CZ 3.58Å; E260-R313 IonicContact OE2-NE 3.65Å; E260-R313 IonicContact OE2-NH2 3.04Å; E260-R313 PolarHBondContact OE2-NH2 2.8Å
261L95.4Very high91.9Very high2 Ų241.3 Ų41.31%0.0122%0.224CC..THydrogen-bonded Turntrans-50.5-35.5171.6175.456.2000113.3I185 D189 V190 Y193 A258 P259 F263 Q264 V268I185-L261 HydrophobicContact CG2-CG 4.16Å; D189-L261 HydrophobicContact CB-CD2 4.03Å; V190-L261 HydrophobicContact CG2-CB 4.34Å; V190-L261 HydrophobicContact CG2-CD2 4.22Å; Y193-L261 HydrophobicContact CD1-CB 4.11Å; Y193-L261 HydrophobicContact CD1-CD2 4.38Å; Y193-L261 HydrophobicContact CG-CD2 4.33Å; A258-L261 VanDerWaalsContact O-CB 3.25Å; A258-L261 WeakPolarHBondContact O-CB 3.12Å; A258-L261 PolarHBondContact O-N 3.29Å; P259-L261 PolarHBondContact O-N 3.25Å; P259-L261 VanDerWaalsContact O-N 3.11Å; L261-F263 PolarHBondContact O-N 3.32Å; L261-Q264 CarbonylContact O-C 3.16Å; L261-Q264 PolarHBondContact O-N 2.88Å; L261-V268 HydrophobicContact CD1-CB 4.49Å; L261-V268 HydrophobicContact CD1-CG2 3.09Å; L261-V268 HydrophobicContact CD2-CG2 3.82Å; L261-V268 HydrophobicContact CG-CG2 4.08Å
262L95.6Very high92.2Very high1 Ų143.1 Ų43.11%0.00524%0.237CC..THydrogen-bonded Turntrans-65.2-28.4178.6-64.1178.8000112I185 V190 P259 E260 L275 F307 F310I185-L262 HydrophobicContact CG2-CD2 4.33Å; V190-L262 HydrophobicContact CG2-CD1 4.36Å; V190-L262 HydrophobicContact CG2-CD2 3.73Å; V190-L262 HydrophobicContact CG2-CG 3.77Å; P259-L262 WeakPolarHBondContact O-CB 3.38Å; P259-L262 PolarHBondContact O-N 2.94Å; E260-L262 PolarHBondContact O-N 3.14Å; E260-L262 VanDerWaalsContact O-N 3.11Å; L262-L275 HydrophobicContact CB-CD1 3.89Å; L262-L275 HydrophobicContact CB-CG 3.98Å; L262-L275 HydrophobicContact CD1-CD1 4.24Å; L262-L275 HydrophobicContact CD2-CD1 4.29Å; L262-L275 HydrophobicContact CG-CD1 4.36Å; L262-L275 VanDerWaalsContact O-CG 3.29Å; L262-L275 WeakPolarHBondContact O-CG 3.2Å; L262-L275 PolarHBondContact O-N 3.19Å; L262-F307 HydrophobicContact CD1-CD2 4.14Å; L262-F307 HydrophobicContact CD1-CE2 3.93Å; L262-F310 HydrophobicContact CD1-CE2 4.25Å
263F94.9Very high92.7Very high5 Ų546.3 Ų46.32%0.02225%0.25CS..THydrogen-bonded Turntrans-98.7-25.6179.5-66.5-95000112.4L224 E260 L261 H276 F310 R313 L314 E317L224-F263 HydrophobicContact CD1-CE2 3.67Å; L224-F263 HydrophobicContact CD1-CZ 4.45Å; L224-F263 HydrophobicContact CD2-CD2 3.99Å; L224-F263 HydrophobicContact CD2-CE2 3.91Å; L224-F263 HydrophobicContact CG-CE2 4.44Å; E260-F263 CarbonylContact O-C 3.46Å; E260-F263 WeakPolarHBondContact O-CA 3.35Å; E260-F263 PolarHBondContact O-N 3.32Å; L261-F263 PolarHBondContact O-N 3.32Å; F263-H276 HydrophobicContact CD1-CB 4.24Å; F263-H276 AromaticContact CD1-ND1 3.56Å; F263-H276 HydrophobicContact CE1-CB 4.27Å; F263-H276 PolarHBondContact O-CE1 3.03Å; F263-H276 VanDerWaalsContact O-CE1 3.31Å; F263-F310 HydrophobicContact CE2-CD2 4.43Å; F263-F310 HydrophobicContact CE2-CE2 4.29Å; F263-F310 HydrophobicContact CZ-CE2 4.29Å; F263-R313 HydrophobicContact CD1-CG 4.18Å; F263-R313 HydrophobicContact CD2-CG 4.33Å; F263-R313 HydrophobicContact CE1-CG 3.76Å; F263-R313 HydrophobicContact CE2-CG 3.94Å; F263-R313 HydrophobicContact CG-CG 4.46Å; F263-R313 HydrophobicContact CZ-CB 4.31Å; F263-R313 HydrophobicContact CZ-CG 3.63Å; F263-L314 HydrophobicContact CE1-CB 4.46Å; F263-L314 HydrophobicContact CE1-CD1 4.24Å; F263-L314 HydrophobicContact CZ-CB 4.45Å; F263-E317 HydrophobicContact CD1-CG 4.25Å; F263-E317 HydrophobicContact CE1-CG 4.5Å
264Q94.1Very high93Very high89 Ų8944.5 Ų44.542%0.41624%0.239SC..  trans-132.481.3179.9-63.9-173.3-45.700110.8E260 L261 D266 L267E260-Q264 PolarHBondContact O-N 2.61Å; L261-Q264 CarbonylContact O-C 3.16Å; L261-Q264 PolarHBondContact O-N 2.88Å; Q264-D266 PolarHBondContact O-N 3.37Å; Q264-L267 HydrophobicContact CB-CD1 4.14Å; Q264-L267 HydrophobicContact CB-CG 4.16Å; Q264-L267 WeakPolarHBondContact O-CG 3.37Å; Q264-L267 PolarHBondContact O-N 3.3Å
265P94.2Very high93.3Very high4 Ų444.5 Ų44.53%0.02624%0.239CC..G310 helixtrans-51.3-32.8172.5-36.245000115.3I185 L267 V268 D270 S272I185-P265 HydrophobicContact CD1-CB 3.38Å; I185-P265 HydrophobicContact CD1-CG 3.51Å; P265-L267 PolarHBondContact O-N 3.22Å; P265-V268 PolarHBondContact O-N 2.85Å; P265-D270 CarbonylContact C-O 3.57Å; P265-D270 HydrophobicContact CB-CB 4.37Å; P265-D270 VanDerWaalsContact CB-O 3.28Å; P265-D270 WeakPolarHBondContact CB-O 3.46Å; P265-S272 WeakPolarHBondContact CB-O 3.44Å; P265-S272 VanDerWaalsContact CG-O 3.26Å; P265-S272 WeakPolarHBondContact CG-O 3.29Å
266D94.1Very high93.5Very high116 Ų11643.8 Ų43.862%0.6224%0.237SC*.G310 helixtrans-52-26-179.5-58.1-41.7000113.6Q264 V268 G269 D270Q264-D266 PolarHBondContact O-N 3.37Å; D266-V268 PolarHBondContact O-N 3.49Å; D266-V268 VanDerWaalsContact O-N 3.14Å; D266-G269 PolarHBondContact O-N 3.14Å; D266-D270 PolarHBondContact N-O 2.89Å
267L91.1Very high93.8Very high75 Ų7546.9 Ų46.939%0.39325%0.251SS..G310 helixtrans-59.8-23.5179.6-66.8175.2000113.8Y193 E260 Q264 P265Y193-L267 HydrophobicContact CE1-CB 4.49Å; Y193-L267 HydrophobicContact CE1-CD1 4.35Å; E260-L267 HydrophobicContact CB-CD1 4.2Å; Q264-L267 HydrophobicContact CB-CD1 4.14Å; Q264-L267 HydrophobicContact CB-CG 4.16Å; Q264-L267 WeakPolarHBondContact O-CG 3.37Å; Q264-L267 PolarHBondContact O-N 3.3Å; P265-L267 PolarHBondContact O-N 3.22Å
268V91Very high94Very high83 Ų8342.7 Ų42.750%0.50324%0.236SC..G310 helixtrans-108.86.7175.8-139.10000112Y193 L261 P265 D266Y193-V268 HydrophobicContact CD2-CG2 4.45Å; L261-V268 HydrophobicContact CD1-CB 4.49Å; L261-V268 HydrophobicContact CD1-CG2 3.09Å; L261-V268 HydrophobicContact CD2-CG2 3.82Å; L261-V268 HydrophobicContact CG-CG2 4.08Å; P265-V268 PolarHBondContact O-N 2.85Å; D266-V268 PolarHBondContact O-N 3.49Å; D266-V268 VanDerWaalsContact O-N 3.14Å
269G90.9Very high94.1Very high67 Ų6742.7 Ų42.769%0.69124%0.236SC*.THydrogen-bonded Turntrans7425.7-17500000113.6D266D266-G269 PolarHBondContact O-N 3.14Å
270D91.7Very high94.1Very high62 Ų6242.8 Ų42.833%0.33224%0.237SC..  trans-99.2121.3171.7-168.1-16.4000108.9I185 P265 D266 S272I185-D270 HydrophobicContact CD1-CB 4.26Å; I185-D270 WeakPolarHBondContact CD1-OD2 3.36Å; P265-D270 CarbonylContact C-O 3.57Å; P265-D270 HydrophobicContact CB-CB 4.37Å; P265-D270 VanDerWaalsContact CB-O 3.28Å; P265-D270 WeakPolarHBondContact CB-O 3.46Å; D266-D270 PolarHBondContact N-O 2.89Å; D270-S272 PolarHBondContact O-N 2.69Å; D270-S272 WeakPolarHBondContact OD1-CB 3.26Å; D270-S272 PolarHBondContact OD1-N 3.03Å; D270-S272 VanDerWaalsContact OD1-N 3.11Å; D270-S272 PolarHBondContact OD1-OG 3.43Å
271E92.8Very high94.2Very high187 Ų18746.8 Ų46.887%0.87425%0.254SS*.  trans-83.216.2-179.2-61-176.1166.600112.7
272S92Very high94.2Very high39 Ų3946.7 Ų46.727%0.27325%0.253SS..PPolyproline II helixtrans-69.9161175.8-630000112.6P265 D270P265-S272 WeakPolarHBondContact CB-O 3.44Å; P265-S272 VanDerWaalsContact CG-O 3.26Å; P265-S272 WeakPolarHBondContact CG-O 3.29Å; D270-S272 PolarHBondContact O-N 2.69Å; D270-S272 WeakPolarHBondContact OD1-CB 3.26Å; D270-S272 PolarHBondContact OD1-N 3.03Å; D270-S272 VanDerWaalsContact OD1-N 3.11Å; D270-S272 PolarHBondContact OD1-OG 3.43Å
273E93.9Very high94.2Very high69 Ų6946.6 Ų46.632%0.32225%0.253SS..PPolyproline II helixtrans-73.9146.7177.7-58.491.2160.800113.2E277 V278 F281E273-E277 HydrophobicContact CB-CB 4.08Å; E273-V278 HydrophobicContact CB-CG2 3.89Å; E273-F281 HydrophobicContact CG-CD2 4.16Å; E273-F281 HydrophobicContact CG-CE2 3.83Å
274G95.1Very high94.2Very high1 Ų149.7 Ų49.71%0.0127%0.267CS..PPolyproline II helixtrans-72.1159.3172.700000112.5H276 E277 V278G274-H276 PolarHBondContact O-N 3.44Å; G274-H276 VanDerWaalsContact O-N 3.07Å; G274-E277 PolarHBondContact N-OE2 2.82Å; G274-E277 WeakPolarHBondContact O-CB 3.25Å; G274-E277 PolarHBondContact O-N 2.84Å; G274-V278 WeakPolarHBondContact O-CG2 3.46Å; G274-V278 PolarHBondContact O-N 3.18Å
275L95.8Very high94.3Very high2 Ų250.8 Ų50.81%0.0127%0.271CS..Hα-helixtrans-57.2-33.6-175.3-62.2-162.9000114.6T165 L262 L279 F310T165-L275 HydrophobicContact CG2-CD1 4.03Å; T165-L275 HydrophobicContact CG2-CD2 3.26Å; T165-L275 HydrophobicContact CG2-CG 4.19Å; L262-L275 HydrophobicContact CB-CD1 3.89Å; L262-L275 HydrophobicContact CB-CG 3.98Å; L262-L275 HydrophobicContact CD1-CD1 4.24Å; L262-L275 HydrophobicContact CD2-CD1 4.29Å; L262-L275 HydrophobicContact CG-CD1 4.36Å; L262-L275 VanDerWaalsContact O-CG 3.29Å; L262-L275 WeakPolarHBondContact O-CG 3.2Å; L262-L275 PolarHBondContact O-N 3.19Å; L275-L279 WeakPolarHBondContact O-CB 3.48Å; L275-L279 PolarHBondContact O-N 3.35Å; L275-F310 HydrophobicContact CD1-CE2 3.95Å; L275-F310 HydrophobicContact CD1-CZ 3.9Å
276H95.4Very high94.3Very high20 Ų2050.7 Ų50.79%0.09327%0.27CS..Hα-helixtrans-68.8-37.1177.962.6-71.2000112.2F263 G274 A280 L314 E317F263-H276 HydrophobicContact CD1-CB 4.24Å; F263-H276 AromaticContact CD1-ND1 3.56Å; F263-H276 HydrophobicContact CE1-CB 4.27Å; F263-H276 PolarHBondContact O-CE1 3.03Å; F263-H276 VanDerWaalsContact O-CE1 3.31Å; G274-H276 PolarHBondContact O-N 3.44Å; G274-H276 VanDerWaalsContact O-N 3.07Å; H276-A280 WeakPolarHBondContact O-CB 3.34Å; H276-A280 PolarHBondContact O-N 2.78Å; H276-A280 VanDerWaalsContact O-N 3.07Å; H276-L314 HydrophobicContact CB-CD1 3.89Å; H276-E317 HydrophobicContact CB-CB 3.61Å; H276-E317 HydrophobicContact CB-CG 4.37Å
277E95.8Very high94.3Very high69 Ų6949.8 Ų49.832%0.32227%0.265SS..Hα-helixtrans-73.1-44.6174.9-63.9176.4159.900110.8E273 G274 L279 A280 F281 L321E273-E277 HydrophobicContact CB-CB 4.08Å; G274-E277 PolarHBondContact N-OE2 2.82Å; G274-E277 WeakPolarHBondContact O-CB 3.25Å; G274-E277 PolarHBondContact O-N 2.84Å; E277-L279 VanDerWaalsContact C-N 3.27Å; E277-L279 PolarHBondContact O-N 3.37Å; E277-A280 CarbonylContact O-C 3.6Å; E277-A280 PolarHBondContact O-N 3.07Å; E277-A280 VanDerWaalsContact O-N 3.09Å; E277-F281 HydrophobicContact CB-CE2 4.49Å; E277-F281 VanDerWaalsContact O-CB 3.32Å; E277-F281 WeakPolarHBondContact O-CB 2.96Å; E277-F281 VanDerWaalsContact O-CG 3.28Å; E277-F281 WeakPolarHBondContact O-CG 3.4Å; E277-F281 PolarHBondContact O-N 2.89Å; E277-L321 HydrophobicContact CG-CD1 4.18Å
278V96.1Very high94.3Very high0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-52.4-47.4174.1171.60000111A167 M181 V183 E273 G274 A282A167-V278 HydrophobicContact CB-CG1 3.86Å; M181-V278 HydrophobicContact CB-CG1 3.67Å; V183-V278 HydrophobicContact CB-CG2 4.37Å; V183-V278 HydrophobicContact CG2-CG2 3.34Å; E273-V278 HydrophobicContact CB-CG2 3.89Å; G274-V278 WeakPolarHBondContact O-CG2 3.46Å; G274-V278 PolarHBondContact O-N 3.18Å; V278-A282 WeakPolarHBondContact O-CB 3.25Å; V278-A282 PolarHBondContact O-N 2.87Å
279L96.5Very high94.4Very high0 Ų056 Ų560%029%0.293CS..Hα-helixtrans-64.4-46177.1178.860.5000112V156 L158 A167 L275 E277 I283 I298 L314 V318V156-L279 HydrophobicContact CB-CD1 4.19Å; V156-L279 HydrophobicContact CG1-CD1 3.55Å; L158-L279 HydrophobicContact CB-CD1 4.38Å; L158-L279 HydrophobicContact CD2-CD2 4.36Å; A167-L279 HydrophobicContact CB-CD1 4.47Å; L275-L279 WeakPolarHBondContact O-CB 3.48Å; L275-L279 PolarHBondContact O-N 3.35Å; E277-L279 VanDerWaalsContact C-N 3.27Å; E277-L279 PolarHBondContact O-N 3.37Å; L279-I283 HydrophobicContact CD1-CD1 4.34Å; L279-I283 HydrophobicContact CG-CD1 4.46Å; L279-I283 WeakPolarHBondContact O-CG1 3.4Å; L279-I283 PolarHBondContact O-N 2.76Å; L279-I298 HydrophobicContact CD1-CG2 4.21Å; L279-I298 HydrophobicContact CD2-CD1 4.17Å; L279-I298 HydrophobicContact CD2-CG2 3.92Å; L279-L314 HydrophobicContact CD2-CD1 4.16Å; L279-L314 HydrophobicContact CD2-CD2 4.1Å; L279-L314 HydrophobicContact CD2-CG 4.34Å; L279-V318 HydrophobicContact CD2-CG2 3.9Å
280A95.2Very high94.6Very high2 Ų254 Ų542%0.01727%0.267CS..Hα-helixtrans-63-45.3177.800000111.2H276 E277 I283 H284 L321H276-A280 WeakPolarHBondContact O-CB 3.34Å; H276-A280 PolarHBondContact O-N 2.78Å; H276-A280 VanDerWaalsContact O-N 3.07Å; E277-A280 CarbonylContact O-C 3.6Å; E277-A280 PolarHBondContact O-N 3.07Å; E277-A280 VanDerWaalsContact O-N 3.09Å; A280-I283 PolarHBondContact O-N 2.76Å; A280-I283 VanDerWaalsContact O-N 3.16Å; A280-H284 PolarHBondContact O-N 3.1Å; A280-H284 PolarHBondContact O-ND1 2.85Å; A280-L321 HydrophobicContact CB-CB 4.22Å; A280-L321 HydrophobicContact CB-CD1 3.83Å
281F95.8Very high94.7Very high89 Ų8954.5 Ų54.539%0.3926%0.264SS..Hα-helixtrans-64.8-39.3-179.8-71.4-6.9000112.2M181 E273 E277 I283 H284 K285M181-F281 HydrophobicContact CE-CB 4.02Å; M181-F281 HydrophobicContact CE-CD2 4.17Å; M181-F281 HydrophobicContact CG-CB 4.24Å; M181-F281 HydrophobicContact SD-CB 4.3Å; E273-F281 HydrophobicContact CG-CD2 4.16Å; E273-F281 HydrophobicContact CG-CE2 3.83Å; E277-F281 HydrophobicContact CB-CE2 4.49Å; E277-F281 VanDerWaalsContact O-CB 3.32Å; E277-F281 WeakPolarHBondContact O-CB 2.96Å; E277-F281 VanDerWaalsContact O-CG 3.28Å; E277-F281 WeakPolarHBondContact O-CG 3.4Å; E277-F281 PolarHBondContact O-N 2.89Å; F281-I283 VanDerWaalsContact C-N 3.28Å; F281-I283 PolarHBondContact O-N 2.81Å; F281-H284 PolarHBondContact O-N 2.91Å; F281-K285 WeakPolarHBondContact O-CB 3.4Å; F281-K285 WeakPolarHBondContact O-CG 3.42Å; F281-K285 PolarHBondContact O-N 3.39Å
282A96.4Very high94.7Very high0 Ų053.4 Ų53.40%025%0.252CS..Hα-helixtrans-58.2-42.2172.600000111.6A167 S179 M181 V278 S286A167-A282 HydrophobicContact CB-CB 3.67Å; S179-A282 WeakPolarHBondContact O-CA 3.4Å; S179-A282 WeakPolarHBondContact O-CB 3.38Å; M181-A282 HydrophobicContact CB-CB 4.27Å; M181-A282 HydrophobicContact CG-CB 3.77Å; V278-A282 WeakPolarHBondContact O-CB 3.25Å; V278-A282 PolarHBondContact O-N 2.87Å; A282-S286 PolarHBondContact O-N 3.47Å
283I95.7Very high94.8Very high0 Ų054.1 Ų54.10%025%0.254CS..Hα-helixtrans-70.2-40.9176.3-62.4167.2000111.2V156 L279 A280 F281 K285 S286 R291 L294 F295V156-I283 HydrophobicContact CG2-CD1 4.19Å; V156-I283 HydrophobicContact CG2-CG1 3.73Å; L279-I283 HydrophobicContact CD1-CD1 4.34Å; L279-I283 HydrophobicContact CG-CD1 4.46Å; L279-I283 WeakPolarHBondContact O-CG1 3.4Å; L279-I283 PolarHBondContact O-N 2.76Å; A280-I283 PolarHBondContact O-N 2.76Å; A280-I283 VanDerWaalsContact O-N 3.16Å; F281-I283 VanDerWaalsContact C-N 3.28Å; F281-I283 PolarHBondContact O-N 2.81Å; I283-K285 VanDerWaalsContact C-N 3.33Å; I283-K285 PolarHBondContact O-N 2.98Å; I283-S286 PolarHBondContact O-N 2.85Å; I283-S286 PolarHBondContact O-OG 3.4Å; I283-R291 HydrophobicContact CG2-CB 3.89Å; I283-R291 HydrophobicContact CG2-CG 4.07Å; I283-R291 WeakPolarHBondContact O-CG 3.31Å; I283-R291 PolarHBondContact O-NE 3.45Å; I283-L294 HydrophobicContact CG1-CB 4.21Å; I283-L294 HydrophobicContact CG2-CB 4.2Å; I283-F295 HydrophobicContact CB-CE1 4.43Å; I283-F295 HydrophobicContact CB-CE2 4.34Å; I283-F295 HydrophobicContact CB-CZ 4.11Å; I283-F295 HydrophobicContact CD1-CD1 3.52Å; I283-F295 HydrophobicContact CD1-CE1 3.52Å; I283-F295 HydrophobicContact CD1-CG 4.06Å; I283-F295 HydrophobicContact CD1-CZ 4.07Å; I283-F295 HydrophobicContact CG2-CD2 3.76Å; I283-F295 HydrophobicContact CG2-CE1 4.25Å; I283-F295 HydrophobicContact CG2-CE2 3.41Å; I283-F295 VanDerWaalsContact CG2-CE2 3.41Å; I283-F295 HydrophobicContact CG2-CG 4.31Å; I283-F295 HydrophobicContact CG2-CZ 3.67Å
284H94.6Very high94.9Very high69 Ų6950.9 Ų50.932%0.31924%0.239SC..Hα-helixtrans-70.7-26.9179.8-7487.2000113.2A280 F281 S286 R291A280-H284 PolarHBondContact O-N 3.1Å; A280-H284 PolarHBondContact O-ND1 2.85Å; F281-H284 PolarHBondContact O-N 2.91Å; H284-S286 VanDerWaalsContact C-N 3.3Å; H284-R291 PolarHBondContact O-NH2 3.18Å
285K95.5Very high94.9Very high113 Ų11351 Ų5149%0.49124%0.239SC..Hα-helixtrans-71.6-26.4172.2-77.3-176.9176.7-178.30112.8S179 M181 F281 I283S179-K285 PolarHBondContact OG-O 3.46Å; M181-K285 HydrophobicContact SD-CD 3.8Å; M181-K285 VanDerWaalsContact SD-CE 3.59Å; M181-K285 PolarHBondContact SD-NZ 3.13Å; F281-K285 WeakPolarHBondContact O-CB 3.4Å; F281-K285 WeakPolarHBondContact O-CG 3.42Å; F281-K285 PolarHBondContact O-N 3.39Å; I283-K285 VanDerWaalsContact C-N 3.33Å; I283-K285 PolarHBondContact O-N 2.98Å
286S94.8Very high94.8Very high1 Ų152.2 Ų52.21%0.00725%0.25CC..SBendtrans-73.1161.7176.2760000112.8S179 A282 I283 H284 R291 L294S179-S286 WeakPolarHBondContact OG-CA 3.48Å; S179-S286 PolarHBondContact OG-N 3.33Å; A282-S286 PolarHBondContact O-N 3.47Å; I283-S286 PolarHBondContact O-N 2.85Å; I283-S286 PolarHBondContact O-OG 3.4Å; H284-S286 VanDerWaalsContact C-N 3.3Å; S286-R291 PolarHBondContact O-NE 3.4Å; S286-R291 PolarHBondContact O-NH2 3.16Å; S286-R291 VanDerWaalsContact O-NH2 3.15Å; S286-L294 WeakPolarHBondContact OG-CD1 3.46Å
287D93.9Very high94.8Very high97 Ų9753 Ų5352%0.51926%0.255SS..  trans-56140.9179.9-63-38.4000112.3D289 L290 R291D287-D289 PolarHBondContact O-N 2.98Å; D287-D289 VanDerWaalsContact O-N 3.15Å; D287-L290 HydrophobicContact CB-CD1 4.17Å; D287-L290 HydrophobicContact CB-CG 4.16Å; D287-L290 PolarHBondContact O-N 3.29Å; D287-R291 WeakPolarHBondContact O-CG 3.45Å; D287-R291 PolarHBondContact O-N 3.31Å
288M92Very high94.8Very high144 Ų14449.8 Ų49.871%0.70924%0.24SC*.Hα-helixtrans-55.3-37.7-173.5-70.6-160.3-66.600113.3L290 R291M288-L290 VanDerWaalsContact C-N 3.26Å; M288-L290 PolarHBondContact O-N 3.18Å; M288-R291 PolarHBondContact O-N 2.85Å
289D93.4Very high94.9Very high146 Ų14649.8 Ų49.878%0.78124%0.24SC*.Hα-helixtrans-67.7-28.8-178.4-62.4-26.7000112.2D287D287-D289 PolarHBondContact O-N 2.98Å; D287-D289 VanDerWaalsContact O-N 3.15Å
290L94.1Very high94.9Very high25 Ų2549.9 Ų49.913%0.13124%0.24CC..Hα-helixtrans-85.5-25-176.3-55.4-176.1000112.4Y171 M176 D287 M288 R292 T293 L294Y171-L290 HydrophobicContact CD2-CD1 4.27Å; Y171-L290 HydrophobicContact CD2-CD2 3.66Å; Y171-L290 HydrophobicContact CD2-CG 4.49Å; Y171-L290 HydrophobicContact CE1-CD2 4.47Å; Y171-L290 HydrophobicContact CE2-CD2 3.48Å; Y171-L290 VanDerWaalsContact CE2-CD2 3.48Å; Y171-L290 HydrophobicContact CG-CD1 4.19Å; Y171-L290 HydrophobicContact CG-CD2 4.25Å; M176-L290 HydrophobicContact CE-CD1 3.29Å; M176-L290 HydrophobicContact SD-CD1 4.35Å; D287-L290 HydrophobicContact CB-CD1 4.17Å; D287-L290 HydrophobicContact CB-CG 4.16Å; D287-L290 PolarHBondContact O-N 3.29Å; M288-L290 VanDerWaalsContact C-N 3.26Å; M288-L290 PolarHBondContact O-N 3.18Å; L290-R292 VanDerWaalsContact C-N 3.32Å; L290-R292 PolarHBondContact O-N 3.41Å; L290-T293 WeakPolarHBondContact O-CA 3.49Å; L290-T293 WeakPolarHBondContact O-CB 3.37Å; L290-T293 PolarHBondContact O-N 3.3Å; L290-L294 HydrophobicContact CB-CD1 4.28Å; L290-L294 HydrophobicContact CB-CG 4.49Å; L290-L294 WeakPolarHBondContact O-CG 3.38Å; L290-L294 PolarHBondContact O-N 2.93Å
291R94.1Very high94.8Very high71 Ų7149.9 Ų49.927%0.26824%0.24SC..Hα-helixtrans-54.9-42.9-172.6-58.9-170.2-173.9164.64.5113.5I283 H284 S286 D287 M288 T293 L294 F295I283-R291 HydrophobicContact CG2-CB 3.89Å; I283-R291 HydrophobicContact CG2-CG 4.07Å; I283-R291 WeakPolarHBondContact O-CG 3.31Å; I283-R291 PolarHBondContact O-NE 3.45Å; H284-R291 PolarHBondContact O-NH2 3.18Å; S286-R291 PolarHBondContact O-NE 3.4Å; S286-R291 PolarHBondContact O-NH2 3.16Å; S286-R291 VanDerWaalsContact O-NH2 3.15Å; D287-R291 WeakPolarHBondContact O-CG 3.45Å; D287-R291 PolarHBondContact O-N 3.31Å; M288-R291 PolarHBondContact O-N 2.85Å; R291-T293 VanDerWaalsContact C-N 3.32Å; R291-T293 PolarHBondContact O-N 3.16Å; R291-L294 PolarHBondContact O-N 3.48Å; R291-F295 HydrophobicContact CB-CD2 4.49Å; R291-F295 HydrophobicContact CB-CE2 4.46Å; R291-F295 WeakPolarHBondContact O-CD2 3.35Å; R291-F295 PolarHBondContact O-N 2.83Å
292R93.4Very high94.7Very high165 Ų16546 Ų4662%0.62323%0.225SC*.Hα-helixtrans-60.6-43.1178.5-71.5-175-177.6-113.41.8111.5L290 A296 V326L290-R292 VanDerWaalsContact C-N 3.32Å; L290-R292 PolarHBondContact O-N 3.41Å; R292-A296 WeakPolarHBondContact O-CB 3.44Å; R292-A296 PolarHBondContact O-N 3.31Å; R292-V326 HydrophobicContact CG-CG2 4.48Å
293T94.3Very high94.5Very high53 Ų5347.5 Ų47.533%0.32524%0.241SC..Hα-helixtrans-66.8-40.8177.7-53.50000111.2L290 R291 A296 N297L290-T293 WeakPolarHBondContact O-CA 3.49Å; L290-T293 WeakPolarHBondContact O-CB 3.37Å; L290-T293 PolarHBondContact O-N 3.3Å; R291-T293 VanDerWaalsContact C-N 3.32Å; R291-T293 PolarHBondContact O-N 3.16Å; T293-A296 PolarHBondContact O-N 2.87Å; T293-N297 WeakPolarHBondContact O-CB 3.41Å; T293-N297 PolarHBondContact O-N 2.77Å; T293-N297 VanDerWaalsContact O-N 3.15Å; T293-N297 PolarHBondContact O-ND2 3.39Å
294L95Very high94.4Very high1 Ų147.7 Ų47.71%0.00524%0.242CC..Hα-helixtrans-66.5-44179.2-69.4179.1000112.5V156 P169 I283 S286 L290 R291 A296 N297V156-L294 HydrophobicContact CG2-CB 3.63Å; V156-L294 HydrophobicContact CG2-CD1 4.2Å; V156-L294 HydrophobicContact CG2-CD2 3.67Å; V156-L294 HydrophobicContact CG2-CG 4.01Å; P169-L294 HydrophobicContact CB-CD1 3.98Å; P169-L294 HydrophobicContact CB-CD2 4.3Å; I283-L294 HydrophobicContact CG1-CB 4.21Å; I283-L294 HydrophobicContact CG2-CB 4.2Å; S286-L294 WeakPolarHBondContact OG-CD1 3.46Å; L290-L294 HydrophobicContact CB-CD1 4.28Å; L290-L294 HydrophobicContact CB-CG 4.49Å; L290-L294 WeakPolarHBondContact O-CG 3.38Å; L290-L294 PolarHBondContact O-N 2.93Å; R291-L294 PolarHBondContact O-N 3.48Å; L294-A296 VanDerWaalsContact C-N 3.26Å; L294-A296 PolarHBondContact O-N 3.08Å; L294-N297 CarbonylContact O-C 3.36Å; L294-N297 PolarHBondContact O-N 3.45Å; L294-N297 VanDerWaalsContact O-N 3.12Å
295F95.1Very high94.4Very high4 Ų444.5 Ų44.52%0.01823%0.227CC..Hα-helixtrans-62.8-32173.7-80.6-63.2000113.2I283 R291 N297 V318 A322 V326 I328 K329I283-F295 HydrophobicContact CB-CE1 4.43Å; I283-F295 HydrophobicContact CB-CE2 4.34Å; I283-F295 HydrophobicContact CB-CZ 4.11Å; I283-F295 HydrophobicContact CD1-CD1 3.52Å; I283-F295 HydrophobicContact CD1-CE1 3.52Å; I283-F295 HydrophobicContact CD1-CG 4.06Å; I283-F295 HydrophobicContact CD1-CZ 4.07Å; I283-F295 HydrophobicContact CG2-CD2 3.76Å; I283-F295 HydrophobicContact CG2-CE1 4.25Å; I283-F295 HydrophobicContact CG2-CE2 3.41Å; I283-F295 VanDerWaalsContact CG2-CE2 3.41Å; I283-F295 HydrophobicContact CG2-CG 4.31Å; I283-F295 HydrophobicContact CG2-CZ 3.67Å; R291-F295 HydrophobicContact CB-CD2 4.49Å; R291-F295 HydrophobicContact CB-CE2 4.46Å; R291-F295 WeakPolarHBondContact O-CD2 3.35Å; R291-F295 PolarHBondContact O-N 2.83Å; F295-N297 VanDerWaalsContact C-N 3.3Å; F295-V318 HydrophobicContact CD1-CG1 4.14Å; F295-V318 HydrophobicContact CE1-CG1 4Å; F295-A322 HydrophobicContact CD1-CB 4.33Å; F295-A322 HydrophobicContact CE1-CB 3.86Å; F295-A322 HydrophobicContact CZ-CB 4Å; F295-V326 HydrophobicContact CB-CG1 3.49Å; F295-V326 VanDerWaalsContact CB-CG1 3.49Å; F295-V326 HydrophobicContact CD2-CG1 3.88Å; F295-V326 HydrophobicContact CG-CG1 3.91Å; F295-I328 HydrophobicContact CD1-CG1 4.42Å; F295-I328 WeakPolarHBondContact O-CA 3.49Å; F295-K329 PolarHBondContact O-N 3.36Å; F295-K329 VanDerWaalsContact O-N 3.08Å
296A94.1Very high94.4Very high28 Ų2842.8 Ų42.823%0.23122%0.223CC..Hα-helixtrans-78.3-13.117700000113.4R292 T293 L294 K327 K329R292-A296 WeakPolarHBondContact O-CB 3.44Å; R292-A296 PolarHBondContact O-N 3.31Å; T293-A296 PolarHBondContact O-N 2.87Å; L294-A296 VanDerWaalsContact C-N 3.26Å; L294-A296 PolarHBondContact O-N 3.08Å; A296-K327 WeakPolarHBondContact CA-O 3.37Å; A296-K329 WeakPolarHBondContact O-CB 3.49Å
297N95.4Very high94.4Very high37 Ų3743.6 Ų43.620%0.19823%0.227CC..  trans-132.660.5-174.8-70-43.4000111.1G155 V156 T293 L294 F295G155-N297 CarbonylContact C-O 3.48Å; G155-N297 WeakPolarHBondContact CA-O 3.42Å; V156-N297 PolarHBondContact N-O 2.71Å; T293-N297 WeakPolarHBondContact O-CB 3.41Å; T293-N297 PolarHBondContact O-N 2.77Å; T293-N297 VanDerWaalsContact O-N 3.15Å; T293-N297 PolarHBondContact O-ND2 3.39Å; L294-N297 CarbonylContact O-C 3.36Å; L294-N297 PolarHBondContact O-N 3.45Å; L294-N297 VanDerWaalsContact O-N 3.12Å; F295-N297 VanDerWaalsContact C-N 3.3Å
298I96.6Very high94.3Very high0 Ų046.2 Ų46.20%023%0.233CC..EExtended strand (participates in β ladder)trans-88.4129.7172.6-58.4162.5000108.2V156 L279 L300 I328 K329 I330 S331V156-I298 CarbonylContact O-C 3.18Å; V156-I298 WeakPolarHBondContact O-CA 3.48Å; L279-I298 HydrophobicContact CD1-CG2 4.21Å; L279-I298 HydrophobicContact CD2-CD1 4.17Å; L279-I298 HydrophobicContact CD2-CG2 3.92Å; I298-L300 HydrophobicContact CG2-CD2 4.45Å; I298-I328 HydrophobicContact CD1-CG2 3.96Å; I298-K329 PolarHBondContact N-O 3.22Å; I298-K329 VanDerWaalsContact N-O 3.11Å; I298-I330 HydrophobicContact CB-CG1 4.2Å; I298-I330 HydrophobicContact CD1-CG1 4.11Å; I298-I330 HydrophobicContact CG2-CG1 4.25Å; I298-I330 HydrophobicContact CG2-CG2 4.38Å; I298-S331 PolarHBondContact O-N 3.11Å
299V96.4Very high94.3Very high1 Ų140.6 Ų40.61%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-118.4129.9178.1178.70000109.1L147 T150 V156 V157 L158 S331L147-V299 HydrophobicContact CD1-CG2 3.82Å; T150-V299 HydrophobicContact CG2-CG1 3.9Å; V156-V299 PolarHBondContact O-N 3.16Å; V157-V299 WeakPolarHBondContact CA-O 3.5Å; V157-V299 HydrophobicContact CG2-CB 4.32Å; L158-V299 PolarHBondContact N-O 2.67Å; V299-S331 WeakPolarHBondContact CA-O 3.39Å
300L96.6Very high94.4Very high2 Ų233.8 Ų33.81%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-95.6132.5175.9-58.5-173.8000111L158 I298 T305 F310 L314 I330 S331 A332 P333L158-L300 HydrophobicContact CB-CD2 3.98Å; L158-L300 HydrophobicContact CD2-CD2 4Å; L158-L300 HydrophobicContact CG-CD2 4.44Å; I298-L300 HydrophobicContact CG2-CD2 4.45Å; L300-T305 HydrophobicContact CB-CG2 4.43Å; L300-F310 HydrophobicContact CD1-CD1 3.8Å; L300-F310 HydrophobicContact CD1-CE1 3.87Å; L300-F310 HydrophobicContact CD2-CE1 4.16Å; L300-L314 HydrophobicContact CD2-CD2 3.74Å; L300-I330 HydrophobicContact CD1-CG2 3.66Å; L300-I330 HydrophobicContact CD2-CG2 4.02Å; L300-I330 HydrophobicContact CG-CG2 3.63Å; L300-S331 PolarHBondContact N-O 3.33Å; L300-A332 HydrophobicContact CB-CB 4.39Å; L300-A332 HydrophobicContact CD1-CB 4.14Å; L300-P333 WeakPolarHBondContact O-CD 3.43Å
301S94.9Very high94.4Very high1 Ų133.9 Ų33.91%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-132.6158.8174.3177.30000110.6L158 D159 S160 T305L158-S301 PolarHBondContact O-N 3.13Å; D159-S301 WeakPolarHBondContact CA-O 3.38Å; D159-S301 VanDerWaalsContact OD1-CB 3.26Å; D159-S301 WeakPolarHBondContact OD1-CB 3.41Å; D159-S301 PolarHBondContact OD1-OG 3.41Å; S160-S301 PolarHBondContact N-O 3.45Å; S301-T305 WeakPolarHBondContact O-CG2 3.41Å; S301-T305 PolarHBondContact O-OG1 2.99Å
302G92.3Very high94.4Very high8 Ų835.4 Ų35.48%0.08220%0.196CC..SBendtrans93.8152.8169.700000114.1D159 S160 S304 T305 R336D159-G302 VanDerWaalsContact OD1-CA 3.26Å; D159-G302 WeakPolarHBondContact OD1-CA 3.42Å; D159-G302 PolarHBondContact OD1-N 3.48Å; D159-G302 VanDerWaalsContact OD1-N 3.15Å; S160-G302 CarbonylContact O-C 3.56Å; S160-G302 WeakPolarHBondContact O-CA 3.25Å; G302-S304 VanDerWaalsContact C-N 3.3Å; G302-S304 PolarHBondContact O-N 3.5Å; G302-T305 PolarHBondContact O-N 3.18Å; G302-T305 PolarHBondContact O-OG1 3.14Å; G302-R336 PolarHBondContact N-O 2.83Å; G302-R336 VanDerWaalsContact N-O 3.11Å
303G92.1Very high94.4Very high31 Ų3128.1 Ų28.132%0.3217%0.169SC..G310 helixtrans-64.3-29.3-170.600000114.5S160 T305 L306S160-G303 PolarHBondContact O-N 3.44Å; G303-T305 PolarHBondContact O-N 3.16Å; G303-L306 VanDerWaalsContact O-CB 3.3Å; G303-L306 WeakPolarHBondContact O-CB 3.33Å; G303-L306 PolarHBondContact O-N 3.43Å
304S94.4Very high94.5Very high5 Ų525.6 Ų25.64%0.03515%0.153CC..G310 helixtrans-76-11.9-179.6-60.80000112.8S160 G161 G187 G302 L306 F307S160-S304 WeakPolarHBondContact O-CB 3.13Å; S160-S304 PolarHBondContact O-N 3.08Å; S160-S304 WeakPolarHBondContact OG-CB 3.16Å; G161-S304 PolarHBondContact O-OG 3.34Å; G187-S304 WeakPolarHBondContact CA-OG 3.4Å; G187-S304 PolarHBondContact N-OG 2.93Å; G302-S304 VanDerWaalsContact C-N 3.3Å; G302-S304 PolarHBondContact O-N 3.5Å; S304-L306 PolarHBondContact O-N 2.85Å; S304-F307 WeakPolarHBondContact O-CD2 3.4Å; S304-F307 WeakPolarHBondContact O-CE2 3.32Å
305T95Very high94.4Very high1 Ų127.7 Ų27.71%0.00617%0.165CC..G310 helixtrans-82.91171.670.50000113.2L300 S301 G302 G303 F310 R336L300-T305 HydrophobicContact CB-CG2 4.43Å; S301-T305 WeakPolarHBondContact O-CG2 3.41Å; S301-T305 PolarHBondContact O-OG1 2.99Å; G302-T305 PolarHBondContact O-N 3.18Å; G302-T305 PolarHBondContact O-OG1 3.14Å; G303-T305 PolarHBondContact O-N 3.16Å; T305-F310 HydrophobicContact CG2-CD1 4.5Å; T305-F310 HydrophobicContact CG2-CE1 3.87Å; T305-F310 HydrophobicContact CG2-CZ 3.89Å; T305-R336 PolarHBondContact O-NE 3.08Å; T305-R336 WeakPolarHBondContact OG1-CD 3.27Å
306L94.7Very high94.4Very high77 Ų7729.3 Ų29.340%0.40318%0.176SC..G310 helixtrans-84.2-5.4179.3-68167.8000113.9G303 S304 K308 R336 L337G303-L306 VanDerWaalsContact O-CB 3.3Å; G303-L306 WeakPolarHBondContact O-CB 3.33Å; G303-L306 PolarHBondContact O-N 3.43Å; S304-L306 PolarHBondContact O-N 2.85Å; L306-K308 PolarHBondContact O-N 3.5Å; L306-R336 HydrophobicContact CD2-CG 3.73Å; L306-R336 HydrophobicContact CG-CG 4.4Å; L306-L337 HydrophobicContact CD1-CB 4.39Å
307F94.3Very high94.4Very high19 Ų1929 Ų298%0.08317%0.17CC..SBendtrans-55.9137.1174.8-69.7-63.5000111.2V190 K218 C222 L224 P259 L262 S304 G309 F310V190-F307 HydrophobicContact CG1-CZ 4.1Å; K218-F307 HydrophobicContact CD-CE1 4.47Å; K218-F307 HydrophobicContact CD-CZ 3.94Å; K218-F307 HydrophobicContact CG-CE1 3.79Å; K218-F307 HydrophobicContact CG-CZ 3.74Å; C222-F307 HydrophobicContact CB-CD1 4.04Å; C222-F307 HydrophobicContact CB-CE1 3.75Å; L224-F307 HydrophobicContact CD1-CB 3.93Å; L224-F307 HydrophobicContact CD1-CD2 4.44Å; L224-F307 HydrophobicContact CG-CB 4.24Å; P259-F307 HydrophobicContact CB-CD1 4.26Å; P259-F307 HydrophobicContact CB-CD2 4.04Å; P259-F307 HydrophobicContact CB-CE1 4.21Å; P259-F307 HydrophobicContact CB-CE2 4.01Å; P259-F307 HydrophobicContact CB-CG 4.19Å; P259-F307 HydrophobicContact CB-CZ 4.09Å; L262-F307 HydrophobicContact CD1-CD2 4.14Å; L262-F307 HydrophobicContact CD1-CE2 3.93Å; S304-F307 WeakPolarHBondContact O-CD2 3.4Å; S304-F307 WeakPolarHBondContact O-CE2 3.32Å; F307-G309 PolarHBondContact O-N 3.3Å; F307-F310 HydrophobicContact CB-CB 4.34Å; F307-F310 VanDerWaalsContact O-CB 3.25Å; F307-F310 WeakPolarHBondContact O-CB 3.25Å; F307-F310 PolarHBondContact O-N 2.93Å; F307-F310 VanDerWaalsContact O-N 3.12Å
308K93.1Very high94.3Very high152 Ų15227.3 Ų27.366%0.66116%0.161SC*.BIsolated β-bridgetrans-60.3130.5174.4-62178.1-177.1176.20108.7L224 L306 F310L224-K308 PolarHBondContact N-O 3.11Å; L306-K308 PolarHBondContact O-N 3.5Å; K308-F310 VanDerWaalsContact C-N 3.33Å
309G92.1Very high94.1Very high26 Ų2633.5 Ų33.527%0.26819%0.188SC..THydrogen-bonded Turntrans82.2-0.8-177.900000115.7F307 G311 D312 R313F307-G309 PolarHBondContact O-N 3.3Å; G309-G311 PolarHBondContact O-N 3.06Å; G309-D312 PolarHBondContact O-N 3.38Å; G309-R313 WeakPolarHBondContact O-CB 3.39Å; G309-R313 PolarHBondContact O-N 3.48Å
310F94.8Very high93.9Very high2 Ų239.6 Ų39.61%0.00921%0.214CC..Hα-helixtrans-56.2-48.6-179-176-84000112.8L158 L224 L262 F263 L275 L300 T305 F307 K308 L314L158-F310 HydrophobicContact CD2-CE1 4.44Å; L158-F310 HydrophobicContact CD2-CZ 4.3Å; L224-F310 HydrophobicContact CD1-CB 3.87Å; L224-F310 HydrophobicContact CD1-CD2 3.44Å; L224-F310 VanDerWaalsContact CD1-CD2 3.44Å; L224-F310 HydrophobicContact CD1-CE2 4.37Å; L224-F310 HydrophobicContact CD1-CG 4.06Å; L262-F310 HydrophobicContact CD1-CE2 4.25Å; F263-F310 HydrophobicContact CE2-CD2 4.43Å; F263-F310 HydrophobicContact CE2-CE2 4.29Å; F263-F310 HydrophobicContact CZ-CE2 4.29Å; L275-F310 HydrophobicContact CD1-CE2 3.95Å; L275-F310 HydrophobicContact CD1-CZ 3.9Å; L300-F310 HydrophobicContact CD1-CD1 3.8Å; L300-F310 HydrophobicContact CD1-CE1 3.87Å; L300-F310 HydrophobicContact CD2-CE1 4.16Å; T305-F310 HydrophobicContact CG2-CD1 4.5Å; T305-F310 HydrophobicContact CG2-CE1 3.87Å; T305-F310 HydrophobicContact CG2-CZ 3.89Å; F307-F310 HydrophobicContact CB-CB 4.34Å; F307-F310 VanDerWaalsContact O-CB 3.25Å; F307-F310 WeakPolarHBondContact O-CB 3.25Å; F307-F310 PolarHBondContact O-N 2.93Å; F307-F310 VanDerWaalsContact O-N 3.12Å; K308-F310 VanDerWaalsContact C-N 3.33Å; F310-L314 HydrophobicContact CE1-CD2 3.89Å; F310-L314 VanDerWaalsContact O-CB 3.3Å; F310-L314 WeakPolarHBondContact O-CB 3.37Å; F310-L314 PolarHBondContact O-N 2.66Å
311G93.8Very high93.6Very high28 Ų2843 Ų4329%0.28923%0.232SC..Hα-helixtrans-64.4-40.8-178.200000113.2G309 L315G309-G311 PolarHBondContact O-N 3.06Å; G311-L315 VanDerWaalsContact O-CB 3.28Å; G311-L315 WeakPolarHBondContact O-CB 3.47Å; G311-L315 PolarHBondContact O-N 3.08Å
312D93.5Very high93.4Very high102 Ų10243.4 Ų43.455%0.54524%0.235SC..Hα-helixtrans-69.9-42.5-179.9-61.2-46.9000111.7I226 G309 L315 S316I226-D312 HydrophobicContact CD1-CB 4.16Å; I226-D312 HydrophobicContact CG1-CB 4.38Å; G309-D312 PolarHBondContact O-N 3.38Å; D312-L315 PolarHBondContact O-N 3.02Å; D312-S316 WeakPolarHBondContact O-CB 3.47Å; D312-S316 PolarHBondContact O-N 3.06Å
313R94.5Very high93.1Very high12 Ų1246.5 Ų46.55%0.04525%0.254CS..Hα-helixtrans-60-50.3173.4176.860.2158.1168.58.1110.9S225 I226 E260 F263 G309 L315 S316 E317S225-R313 VanDerWaalsContact O-CD 3.25Å; S225-R313 WeakPolarHBondContact O-CD 3.39Å; S225-R313 PolarHBondContact O-NE 3.45Å; I226-R313 PolarHBondContact O-NH1 3.26Å; E260-R313 IonicContact OE2-CZ 3.58Å; E260-R313 IonicContact OE2-NE 3.65Å; E260-R313 IonicContact OE2-NH2 3.04Å; E260-R313 PolarHBondContact OE2-NH2 2.8Å; F263-R313 HydrophobicContact CD1-CG 4.18Å; F263-R313 HydrophobicContact CD2-CG 4.33Å; F263-R313 HydrophobicContact CE1-CG 3.76Å; F263-R313 HydrophobicContact CE2-CG 3.94Å; F263-R313 HydrophobicContact CG-CG 4.46Å; F263-R313 HydrophobicContact CZ-CB 4.31Å; F263-R313 HydrophobicContact CZ-CG 3.63Å; G309-R313 WeakPolarHBondContact O-CB 3.39Å; G309-R313 PolarHBondContact O-N 3.48Å; R313-L315 VanDerWaalsContact C-N 3.34Å; R313-L315 PolarHBondContact O-N 2.94Å; R313-S316 WeakPolarHBondContact O-CB 3.39Å; R313-S316 PolarHBondContact O-N 3.39Å; R313-E317 IonicContact CZ-OE1 2.66Å; R313-E317 IonicContact NH1-OE1 2.61Å; R313-E317 PolarHBondContact NH1-OE1 3.42Å; R313-E317 PolarHBondContact O-N 2.92Å
314L95.5Very high92.8Very high0 Ų055.1 Ų55.10%028%0.283CS..Hα-helixtrans-61.3-41.8177.9-175.863.9000111.8L158 F263 H276 L279 L300 F310 S316 E317 V318 I330L158-L314 HydrophobicContact CD2-CD1 4.34Å; L158-L314 HydrophobicContact CD2-CD2 3.61Å; F263-L314 HydrophobicContact CE1-CB 4.46Å; F263-L314 HydrophobicContact CE1-CD1 4.24Å; F263-L314 HydrophobicContact CZ-CB 4.45Å; H276-L314 HydrophobicContact CB-CD1 3.89Å; L279-L314 HydrophobicContact CD2-CD1 4.16Å; L279-L314 HydrophobicContact CD2-CD2 4.1Å; L279-L314 HydrophobicContact CD2-CG 4.34Å; L300-L314 HydrophobicContact CD2-CD2 3.74Å; F310-L314 HydrophobicContact CE1-CD2 3.89Å; F310-L314 VanDerWaalsContact O-CB 3.3Å; F310-L314 WeakPolarHBondContact O-CB 3.37Å; F310-L314 PolarHBondContact O-N 2.66Å; L314-S316 VanDerWaalsContact C-N 3.33Å; L314-S316 PolarHBondContact O-N 3.27Å; L314-E317 PolarHBondContact O-N 3.28Å; L314-V318 HydrophobicContact CD1-CG2 3.96Å; L314-V318 HydrophobicContact CG-CG2 4.18Å; L314-V318 WeakPolarHBondContact O-CB 3.12Å; L314-V318 WeakPolarHBondContact O-CG2 3.31Å; L314-V318 PolarHBondContact O-N 3.04Å; L314-I330 HydrophobicContact CB-CD1 4.22Å; L314-I330 HydrophobicContact CD2-CD1 4.04Å; L314-I330 HydrophobicContact CG-CD1 3.95Å
315L94.5Very high92.3Very high46 Ų4661.5 Ų61.524%0.24132%0.317CS..Hα-helixtrans-61.8-41.9176.4-176.462.9000112G311 D312 R313 K319 I328 I330G311-L315 VanDerWaalsContact O-CB 3.28Å; G311-L315 WeakPolarHBondContact O-CB 3.47Å; G311-L315 PolarHBondContact O-N 3.08Å; D312-L315 PolarHBondContact O-N 3.02Å; R313-L315 VanDerWaalsContact C-N 3.34Å; R313-L315 PolarHBondContact O-N 2.94Å; L315-K319 HydrophobicContact CG-CD 4.3Å; L315-K319 WeakPolarHBondContact O-CB 3.49Å; L315-K319 VanDerWaalsContact O-CG 3.23Å; L315-K319 WeakPolarHBondContact O-CG 3.4Å; L315-K319 PolarHBondContact O-N 3.4Å; L315-I328 HydrophobicContact CD1-CB 4.01Å; L315-I328 HydrophobicContact CD1-CG2 3.56Å; L315-I330 HydrophobicContact CB-CD1 3.91Å; L315-I330 HydrophobicContact CD1-CD1 4.17Å; L315-I330 HydrophobicContact CD1-CG1 4.47Å
316S93.7Very high92.1Very high37 Ų3762.7 Ų62.726%0.25932%0.324SS..Hα-helixtrans-61.4-47177.1-174.20000111.4D312 R313 L314 K319 K320D312-S316 WeakPolarHBondContact O-CB 3.47Å; D312-S316 PolarHBondContact O-N 3.06Å; R313-S316 WeakPolarHBondContact O-CB 3.39Å; R313-S316 PolarHBondContact O-N 3.39Å; L314-S316 VanDerWaalsContact C-N 3.33Å; L314-S316 PolarHBondContact O-N 3.27Å; S316-K319 PolarHBondContact O-N 3.35Å; S316-K320 WeakPolarHBondContact O-CG 3.5Å; S316-K320 PolarHBondContact O-N 3.31Å
317E93.6Very high92Very high22 Ų2267 Ų6710%0.10334%0.34CS..Hα-helixtrans-70.3-43.7-179.6-64.7-53.4149.900112.6F263 H276 R313 L314 K319 K320 L321F263-E317 HydrophobicContact CD1-CG 4.25Å; F263-E317 HydrophobicContact CE1-CG 4.5Å; H276-E317 HydrophobicContact CB-CB 3.61Å; H276-E317 HydrophobicContact CB-CG 4.37Å; R313-E317 IonicContact CZ-OE1 2.66Å; R313-E317 IonicContact NH1-OE1 2.61Å; R313-E317 PolarHBondContact NH1-OE1 3.42Å; R313-E317 PolarHBondContact O-N 2.92Å; L314-E317 PolarHBondContact O-N 3.28Å; E317-K319 VanDerWaalsContact C-N 3.26Å; E317-K319 PolarHBondContact O-N 2.9Å; E317-K320 WeakPolarHBondContact O-CB 3.41Å; E317-K320 PolarHBondContact O-N 3.25Å; E317-K320 IonicContact OE1-NZ 3.47Å; E317-K320 PolarHBondContact OE1-NZ 3.05Å; E317-K320 WeakPolarHBondContact OE2-CD 3.47Å; E317-K320 IonicContact OE2-NZ 2.76Å; E317-K320 PolarHBondContact OE2-NZ 2.89Å; E317-L321 PolarHBondContact O-N 3.47Å
318V93.6Very high92Very high1 Ų167.5 Ų67.51%0.00634%0.342CS..Hα-helixtrans-62.9-34.6177175.90000111.1L279 F295 L314 K320 L321 A322 I328L279-V318 HydrophobicContact CD2-CG2 3.9Å; F295-V318 HydrophobicContact CD1-CG1 4.14Å; F295-V318 HydrophobicContact CE1-CG1 4Å; L314-V318 HydrophobicContact CD1-CG2 3.96Å; L314-V318 HydrophobicContact CG-CG2 4.18Å; L314-V318 WeakPolarHBondContact O-CB 3.12Å; L314-V318 WeakPolarHBondContact O-CG2 3.31Å; L314-V318 PolarHBondContact O-N 3.04Å; V318-K320 VanDerWaalsContact C-N 3.26Å; V318-K320 PolarHBondContact O-N 2.52Å; V318-L321 PolarHBondContact O-N 3.13Å; V318-A322 WeakPolarHBondContact O-CB 3.08Å; V318-A322 PolarHBondContact O-N 3.37Å; V318-I328 HydrophobicContact CG1-CD1 3.95Å; V318-I328 HydrophobicContact CG1-CG1 4.27Å; V318-I328 HydrophobicContact CG1-CG2 4.08Å
319K92.7Very high92.1Very high130 Ų13065.2 Ų65.257%0.56533%0.333SS*.Hα-helixtrans-62.8-29.4173.5-83.7175.1178.2178.70113.6L315 S316 E317 I328L315-K319 HydrophobicContact CG-CD 4.3Å; L315-K319 WeakPolarHBondContact O-CB 3.49Å; L315-K319 VanDerWaalsContact O-CG 3.23Å; L315-K319 WeakPolarHBondContact O-CG 3.4Å; L315-K319 PolarHBondContact O-N 3.4Å; S316-K319 PolarHBondContact O-N 3.35Å; E317-K319 VanDerWaalsContact C-N 3.26Å; E317-K319 PolarHBondContact O-N 2.9Å; K319-I328 HydrophobicContact CB-CD1 4.21Å; K319-I328 HydrophobicContact CG-CD1 3.53Å
320K91.9Very high92.2Very high130 Ų13065.7 Ų65.757%0.56533%0.329SS*.Hα-helixtrans-75.6-34.7176.1-62.9174.3-160.5161.90111.6S316 E317 V318S316-K320 WeakPolarHBondContact O-CG 3.5Å; S316-K320 PolarHBondContact O-N 3.31Å; E317-K320 WeakPolarHBondContact O-CB 3.41Å; E317-K320 PolarHBondContact O-N 3.25Å; E317-K320 IonicContact OE1-NZ 3.47Å; E317-K320 PolarHBondContact OE1-NZ 3.05Å; E317-K320 WeakPolarHBondContact OE2-CD 3.47Å; E317-K320 IonicContact OE2-NZ 2.76Å; E317-K320 PolarHBondContact OE2-NZ 2.89Å; V318-K320 VanDerWaalsContact C-N 3.26Å; V318-K320 PolarHBondContact O-N 2.52Å
321L91.1Very high92.1Very high72 Ų7266.5 Ų66.538%0.37734%0.335SS..Hα-helixtrans-86.2-29.6-177.9-63.8178.2000113.6E277 A280 E317 V318E277-L321 HydrophobicContact CG-CD1 4.18Å; A280-L321 HydrophobicContact CB-CB 4.22Å; A280-L321 HydrophobicContact CB-CD1 3.83Å; E317-L321 PolarHBondContact O-N 3.47Å; V318-L321 PolarHBondContact O-N 3.13Å
322A89.5Confident92.1Very high10 Ų1067.5 Ų67.58%0.08334%0.34CS..SBendtrans-81.3154.9-17700000112.7F295 V318 I328F295-A322 HydrophobicContact CD1-CB 4.33Å; F295-A322 HydrophobicContact CE1-CB 3.86Å; F295-A322 HydrophobicContact CZ-CB 4Å; V318-A322 WeakPolarHBondContact O-CB 3.08Å; V318-A322 PolarHBondContact O-N 3.37Å; A322-I328 HydrophobicContact CB-CD1 3.9Å; A322-I328 HydrophobicContact CB-CG1 4.43Å
323P87.4Confident91.9Very high73 Ų7364.1 Ų64.147%0.47432%0.324SS..  trans-60141171.6-19.631000112D325 V326P323-D325 PolarHBondContact O-N 2.84Å; P323-V326 HydrophobicContact CB-CG2 4.1Å; P323-V326 HydrophobicContact CG-CG2 4.32Å; P323-V326 PolarHBondContact O-N 3.17Å
324K84.4Confident91.5Very high212 Ų21272.4 Ų72.492%0.92236%0.363SS*.THydrogen-bonded Turntrans-59-22.2-171.8-65.5-176.3-179.8178.90115
325D84.8Confident91.1Very high139 Ų13977.2 Ų77.274%0.74339%0.385SS*.THydrogen-bonded Turntrans-96.59.4-175.1-56.8-36.6000114P323P323-D325 PolarHBondContact O-N 2.84Å
326V90.4Very high90.9Very high26 Ų2677.3 Ų77.316%0.15838%0.383CS..  trans-102.3128.9-176.9-176.90000111.1R292 F295 P323 I328R292-V326 HydrophobicContact CG-CG2 4.48Å; F295-V326 HydrophobicContact CB-CG1 3.49Å; F295-V326 VanDerWaalsContact CB-CG1 3.49Å; F295-V326 HydrophobicContact CD2-CG1 3.88Å; F295-V326 HydrophobicContact CG-CG1 3.91Å; P323-V326 HydrophobicContact CB-CG2 4.1Å; P323-V326 HydrophobicContact CG-CG2 4.32Å; P323-V326 PolarHBondContact O-N 3.17Å; V326-I328 PolarHBondContact O-N 3.31Å
327K92.1Very high90.7Very high169 Ų16978.6 Ų78.674%0.73539%0.386SS*.  trans-76.4109.7172.7-175.4177.8-178.6176.50109.9A296A296-K327 WeakPolarHBondContact CA-O 3.37Å
328I94.8Very high90.7Very high28 Ų2881 Ų8114%0.14440%0.395CS..  trans-88.8128174.9-58.8154.2000109.2F295 I298 L315 V318 K319 A322 V326 I330F295-I328 HydrophobicContact CD1-CG1 4.42Å; F295-I328 WeakPolarHBondContact O-CA 3.49Å; I298-I328 HydrophobicContact CD1-CG2 3.96Å; L315-I328 HydrophobicContact CD1-CB 4.01Å; L315-I328 HydrophobicContact CD1-CG2 3.56Å; V318-I328 HydrophobicContact CG1-CD1 3.95Å; V318-I328 HydrophobicContact CG1-CG1 4.27Å; V318-I328 HydrophobicContact CG1-CG2 4.08Å; K319-I328 HydrophobicContact CB-CD1 4.21Å; K319-I328 HydrophobicContact CG-CD1 3.53Å; A322-I328 HydrophobicContact CB-CD1 3.9Å; A322-I328 HydrophobicContact CB-CG1 4.43Å; V326-I328 PolarHBondContact O-N 3.31Å; I328-I330 HydrophobicContact CG2-CG1 4.3Å
329K94.8Very high90.7Very high105 Ų10581.2 Ų81.246%0.45740%0.396SS..  trans-135.1116.8174.2175.2-172.3-178-173.40109.8F295 A296 I298F295-K329 PolarHBondContact O-N 3.36Å; F295-K329 VanDerWaalsContact O-N 3.08Å; A296-K329 WeakPolarHBondContact O-CB 3.49Å; I298-K329 PolarHBondContact N-O 3.22Å; I298-K329 VanDerWaalsContact N-O 3.11Å
330I95.2Very high90.9Very high36 Ų3675.4 Ų75.419%0.18537%0.371CS..EExtended strand (participates in β ladder)trans-100.9123.3176.4-57.5176.2000107.8I298 L300 L314 L315 I328I298-I330 HydrophobicContact CB-CG1 4.2Å; I298-I330 HydrophobicContact CD1-CG1 4.11Å; I298-I330 HydrophobicContact CG2-CG1 4.25Å; I298-I330 HydrophobicContact CG2-CG2 4.38Å; L300-I330 HydrophobicContact CD1-CG2 3.66Å; L300-I330 HydrophobicContact CD2-CG2 4.02Å; L300-I330 HydrophobicContact CG-CG2 3.63Å; L314-I330 HydrophobicContact CB-CD1 4.22Å; L314-I330 HydrophobicContact CD2-CD1 4.04Å; L314-I330 HydrophobicContact CG-CD1 3.95Å; L315-I330 HydrophobicContact CB-CD1 3.91Å; L315-I330 HydrophobicContact CD1-CD1 4.17Å; L315-I330 HydrophobicContact CD1-CG1 4.47Å; I328-I330 HydrophobicContact CG2-CG1 4.3Å
331S93.4Very high91.1Very high19 Ų1969.2 Ų69.213%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-107.5121.5177.7-55.40000109R152 I298 V299 L300R152-S331 PolarHBondContact NH1-OG 3.09Å; R152-S331 PolarHBondContact NH2-OG 2.92Å; I298-S331 PolarHBondContact O-N 3.11Å; V299-S331 WeakPolarHBondContact CA-O 3.39Å; L300-S331 PolarHBondContact N-O 3.33Å
332A92.6Very high91.3Very high48 Ų4867 Ų6740%0.39733%0.333SS..  trans-119.599.1179.500000108.8L300L300-A332 HydrophobicContact CB-CB 4.39Å; L300-A332 HydrophobicContact CD1-CB 4.14Å
333P90.4Very high91.6Very high32 Ų3266.5 Ų66.521%0.20833%0.329CS..  trans-60.6150.6176.219.5-23000110.6T150 L300 E335 R336T150-P333 HydrophobicContact CG2-CG 4.25Å; L300-P333 WeakPolarHBondContact O-CD 3.43Å; P333-E335 VanDerWaalsContact C-N 3.32Å; P333-R336 HydrophobicContact CG-CB 3.97Å; P333-R336 WeakPolarHBondContact O-CB 3.32Å; P333-R336 WeakPolarHBondContact O-CG 3.49Å; P333-R336 PolarHBondContact O-N 2.93Å; P333-R336 PolarHBondContact O-NH1 3.06Å
334Q84.7Confident92Very high186 Ų18663 Ų6387%0.86931%0.306SS*.THydrogen-bonded Turntrans-64.5-40.8179.5-69.9-174.5-10.900110.8R336Q334-R336 VanDerWaalsContact C-N 3.26Å; Q334-R336 PolarHBondContact O-N 3.04Å
335E86.8Confident92.6Very high100 Ų10053 Ų5347%0.46726%0.263SS..THydrogen-bonded Turntrans-91.533.9-179.7-60.3178.5-179.500112.7P333 L337 Y338 S339 I342P333-E335 VanDerWaalsContact C-N 3.32Å; E335-L337 PolarHBondContact O-N 3.38Å; E335-Y338 PolarHBondContact O-N 2.89Å; E335-S339 PolarHBondContact O-N 3.45Å; E335-S339 VanDerWaalsContact O-N 3.1Å; E335-S339 PolarHBondContact O-OG 3.43Å; E335-I342 HydrophobicContact CB-CD1 4.22Å; E335-I342 WeakPolarHBondContact OE2-CD1 3.26Å
336R90.9Very high93Very high49 Ų4949.9 Ų49.919%0.18525%0.245CC..THydrogen-bonded Turntrans-62.1-13.6-177.761.2-175170.2-94.93.7115.5G302 T305 L306 P333 Q334 Y338 S339G302-R336 PolarHBondContact N-O 2.83Å; G302-R336 VanDerWaalsContact N-O 3.11Å; T305-R336 PolarHBondContact O-NE 3.08Å; T305-R336 WeakPolarHBondContact OG1-CD 3.27Å; L306-R336 HydrophobicContact CD2-CG 3.73Å; L306-R336 HydrophobicContact CG-CG 4.4Å; P333-R336 HydrophobicContact CG-CB 3.97Å; P333-R336 WeakPolarHBondContact O-CB 3.32Å; P333-R336 WeakPolarHBondContact O-CG 3.49Å; P333-R336 PolarHBondContact O-N 2.93Å; P333-R336 PolarHBondContact O-NH1 3.06Å; Q334-R336 VanDerWaalsContact C-N 3.26Å; Q334-R336 PolarHBondContact O-N 3.04Å; R336-Y338 VanDerWaalsContact C-N 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.42Å
337L90.1Very high93.2Very high64 Ų6449.4 Ų49.434%0.33524%0.242SC..THydrogen-bonded Turntrans-66.6-33.7168.3-174.662.3000111.9K22 L306 E335K22-L337 WeakPolarHBondContact CE-O 3.44Å; L306-L337 HydrophobicContact CD1-CB 4.39Å; E335-L337 PolarHBondContact O-N 3.38Å
338Y93.5Very high93.3Very high73 Ų7341.6 Ų41.629%0.28621%0.209SC..THydrogen-bonded Turntrans-111.2-2.7-172.9-51.3-41.7000113.3K22 P31 E335 R336 T340 W341 I342K22-Y338 HydrophobicContact CD-CD1 3.99Å; P31-Y338 HydrophobicContact CG-CD1 3.7Å; P31-Y338 HydrophobicContact CG-CD2 4.34Å; P31-Y338 HydrophobicContact CG-CE1 4.1Å; P31-Y338 HydrophobicContact CG-CG 3.82Å; E335-Y338 PolarHBondContact O-N 2.89Å; R336-Y338 VanDerWaalsContact C-N 3.3Å; Y338-T340 VanDerWaalsContact C-N 3.26Å; Y338-T340 PolarHBondContact O-N 3.49Å; Y338-T340 VanDerWaalsContact O-N 3.14Å; Y338-W341 WeakPolarHBondContact O-CA 3.38Å; Y338-W341 PolarHBondContact O-N 3.09Å; Y338-I342 WeakPolarHBondContact O-CG1 3.44Å; Y338-I342 PolarHBondContact O-N 3.34Å
339S94.2Very high93.1Very high5 Ų543.5 Ų43.54%0.03523%0.225CC..Hα-helixtrans-51.5-41.9-175.2-680000113.8A149 E335 R336 W341 I342 G343A149-S339 VanDerWaalsContact CB-O 3.22Å; A149-S339 WeakPolarHBondContact CB-O 3.26Å; E335-S339 PolarHBondContact O-N 3.45Å; E335-S339 VanDerWaalsContact O-N 3.1Å; E335-S339 PolarHBondContact O-OG 3.43Å; R336-S339 WeakPolarHBondContact CA-OG 3.42Å; S339-W341 PolarHBondContact O-N 3.19Å; S339-I342 PolarHBondContact O-N 3.2Å; S339-G343 PolarHBondContact O-N 3.19Å
340T95.3Very high92.9Very high7 Ų742.3 Ų42.34%0.04322%0.223CC..Hα-helixtrans-59.7-45.7175.5-53.90000112.4D15 T111 Q142 L145 Y338 G343 G344D15-T340 WeakPolarHBondContact OD1-CG2 3.49Å; T111-T340 HydrophobicContact CG2-CG2 4.18Å; Q142-T340 HydrophobicContact CB-CG2 3.7Å; Q142-T340 HydrophobicContact CG-CG2 3.81Å; L145-T340 HydrophobicContact CB-CG2 4.32Å; L145-T340 WeakPolarHBondContact CB-O 3.49Å; L145-T340 HydrophobicContact CD1-CG2 4.32Å; Y338-T340 VanDerWaalsContact C-N 3.26Å; Y338-T340 PolarHBondContact O-N 3.49Å; Y338-T340 VanDerWaalsContact O-N 3.14Å; T340-G343 PolarHBondContact O-N 3.05Å; T340-G344 PolarHBondContact O-N 3.09Å; T340-G344 VanDerWaalsContact O-N 3.09Å
341W97Very high92.6Very high0 Ų047.2 Ų47.20%025%0.25CC..Hα-helixtrans-69.2-42.3179.5-172.891.9000111.7V13 D15 K22 D28 P31 Y338 S339 G343 G344 S345V13-W341 HydrophobicContact CB-CZ2 4.2Å; V13-W341 HydrophobicContact CG1-CG 4.34Å; V13-W341 PolarHBondContact O-NE1 3.43Å; D15-W341 HydrophobicContact CB-CB 4.12Å; D15-W341 HydrophobicContact CB-CG 4.43Å; K22-W341 HydrophobicContact CB-CB 4.36Å; K22-W341 HydrophobicContact CB-CG 4.19Å; K22-W341 HydrophobicContact CD-CB 4.24Å; D28-W341 HydrophobicContact CB-CH2 4Å; P31-W341 HydrophobicContact CB-CD2 3.61Å; P31-W341 HydrophobicContact CB-CE3 3.88Å; P31-W341 HydrophobicContact CB-CG 3.97Å; P31-W341 HydrophobicContact CB-CZ2 4.4Å; P31-W341 HydrophobicContact CB-CZ3 4.39Å; P31-W341 HydrophobicContact CG-CD2 4.26Å; P31-W341 HydrophobicContact CG-CE3 4.22Å; P31-W341 HydrophobicContact CG-CG 4.48Å; Y338-W341 WeakPolarHBondContact O-CA 3.38Å; Y338-W341 PolarHBondContact O-N 3.09Å; S339-W341 PolarHBondContact O-N 3.19Å; W341-G343 VanDerWaalsContact C-N 3.31Å; W341-G343 PolarHBondContact O-N 2.89Å; W341-G344 CarbonylContact O-C 3.38Å; W341-G344 WeakPolarHBondContact O-CA 3.17Å; W341-G344 PolarHBondContact O-N 3.17Å; W341-G344 VanDerWaalsContact O-N 3.08Å; W341-S345 PolarHBondContact O-N 3.03Å
342I95.9Very high92.3Very high25 Ų2550 Ų5013%0.12827%0.266CS..Hα-helixtrans-59.2-44.2176.4-65.1169.8000110.3A149 E335 Y338 S339 G344 S345 I346A149-I342 HydrophobicContact CB-CB 4.2Å; A149-I342 HydrophobicContact CB-CG2 4.05Å; E335-I342 HydrophobicContact CB-CD1 4.22Å; E335-I342 WeakPolarHBondContact OE2-CD1 3.26Å; Y338-I342 WeakPolarHBondContact O-CG1 3.44Å; Y338-I342 PolarHBondContact O-N 3.34Å; S339-I342 PolarHBondContact O-N 3.2Å; I342-G344 VanDerWaalsContact C-N 3.31Å; I342-G344 PolarHBondContact O-N 3.37Å; I342-S345 WeakPolarHBondContact O-CB 3.44Å; I342-S345 PolarHBondContact O-N 3.04Å; I342-I346 HydrophobicContact CG2-CD1 3.94Å; I342-I346 WeakPolarHBondContact O-CG1 3.39Å; I342-I346 PolarHBondContact O-N 3.11Å
343G95.1Very high92Very high0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-60.9-39.5174.900000113L145 S339 T340 W341 L347L145-G343 VanDerWaalsContact O-CA 3.27Å; L145-G343 WeakPolarHBondContact O-CA 3.42Å; S339-G343 PolarHBondContact O-N 3.19Å; T340-G343 PolarHBondContact O-N 3.05Å; W341-G343 VanDerWaalsContact C-N 3.31Å; W341-G343 PolarHBondContact O-N 2.89Å; G343-L347 VanDerWaalsContact O-CB 3.3Å; G343-L347 WeakPolarHBondContact O-CB 3.49Å; G343-L347 PolarHBondContact O-N 3.49Å
344G95.6Very high91.8Very high0 Ų051.1 Ų51.10%026%0.259CS..Hα-helixtrans-64.3-43.4172.500000112.8T340 W341 I342 L347 A348T340-G344 PolarHBondContact O-N 3.09Å; T340-G344 VanDerWaalsContact O-N 3.09Å; W341-G344 CarbonylContact O-C 3.38Å; W341-G344 WeakPolarHBondContact O-CA 3.17Å; W341-G344 PolarHBondContact O-N 3.17Å; W341-G344 VanDerWaalsContact O-N 3.08Å; I342-G344 VanDerWaalsContact C-N 3.31Å; I342-G344 PolarHBondContact O-N 3.37Å; G344-L347 PolarHBondContact O-N 2.92Å; G344-A348 WeakPolarHBondContact O-CB 3.43Å; G344-A348 PolarHBondContact O-N 3.46Å
345S96.3Very high92Very high3 Ų350.3 Ų50.32%0.02125%0.252CS..Hα-helixtrans-60-45.3175.9-1780000111.8G27 D28 W341 I342 S349G27-S345 PolarHBondContact N-O 3.1Å; G27-S345 PolarHBondContact N-OG 2.79Å; D28-S345 PolarHBondContact N-OG 3.11Å; D28-S345 PolarHBondContact O-OG 3.25Å; W341-S345 PolarHBondContact O-N 3.03Å; I342-S345 WeakPolarHBondContact O-CB 3.44Å; I342-S345 PolarHBondContact O-N 3.04Å; S345-S349 WeakPolarHBondContact O-CB 3.42Å; S345-S349 PolarHBondContact O-N 2.88Å; S345-S349 PolarHBondContact O-OG 3.3Å
346I94.7Very high92.1Very high72 Ų7248.3 Ų48.337%0.36924%0.244SC..Hα-helixtrans-62.4-53.6174.4-65.8165.8000109.9I342 A348 S349 L350I342-I346 HydrophobicContact CG2-CD1 3.94Å; I342-I346 WeakPolarHBondContact O-CG1 3.39Å; I342-I346 PolarHBondContact O-N 3.11Å; I346-A348 VanDerWaalsContact C-N 3.31Å; I346-A348 PolarHBondContact O-N 2.83Å; I346-S349 PolarHBondContact O-N 2.93Å; I346-S349 VanDerWaalsContact O-N 3.08Å; I346-S349 PolarHBondContact O-OG 2.8Å; I346-L350 PolarHBondContact O-N 2.85Å
347L93.6Very high92.1Very high16 Ų1646.9 Ų46.98%0.08424%0.238CC..Hα-helixtrans-57.8-43.2-177.4-175.266.6000112.2L109 F138 L145 G343 G344 S349 L350 F353 M356L109-L347 HydrophobicContact CD1-CB 4.47Å; L109-L347 HydrophobicContact CD1-CD2 4.22Å; F138-L347 HydrophobicContact CE1-CD2 3.87Å; L145-L347 HydrophobicContact CD2-CB 4.31Å; L145-L347 HydrophobicContact CD2-CD2 3.63Å; G343-L347 VanDerWaalsContact O-CB 3.3Å; G343-L347 WeakPolarHBondContact O-CB 3.49Å; G343-L347 PolarHBondContact O-N 3.49Å; G344-L347 PolarHBondContact O-N 2.92Å; L347-S349 VanDerWaalsContact C-N 3.27Å; L347-S349 PolarHBondContact O-N 3.25Å; L347-L350 HydrophobicContact CD1-CD1 4.35Å; L347-L350 PolarHBondContact O-N 3.28Å; L347-F353 HydrophobicContact CG-CD2 4.37Å; L347-F353 WeakPolarHBondContact O-CB 3.48Å; L347-M356 HydrophobicContact CD1-CE 3.77Å; L347-M356 HydrophobicContact CG-CE 4.33Å
348A93.6Very high92.3Very high6 Ų644 Ų445%0.0522%0.223CC..Hα-helixtrans-72-19.6-179.100000113.5P11 V13 A26 L109 G344 I346 F353P11-A348 HydrophobicContact CB-CB 4.21Å; V13-A348 HydrophobicContact CG2-CB 4.03Å; A26-A348 HydrophobicContact CB-CB 3.56Å; L109-A348 HydrophobicContact CD1-CB 4.05Å; G344-A348 WeakPolarHBondContact O-CB 3.43Å; G344-A348 PolarHBondContact O-N 3.46Å; I346-A348 VanDerWaalsContact C-N 3.31Å; I346-A348 PolarHBondContact O-N 2.83Å; A348-F353 HydrophobicContact CB-CD1 4.1Å; A348-F353 HydrophobicContact CB-CE1 3.87Å; A348-F353 HydrophobicContact CB-CE2 4.41Å; A348-F353 HydrophobicContact CB-CG 4.48Å; A348-F353 HydrophobicContact CB-CZ 4.06Å; A348-F353 WeakPolarHBondContact O-CD1 3.28Å
349S92.3Very high92.3Very high67 Ų6741.8 Ų41.847%0.46922%0.218SC..Hα-helixtrans-84.8-10.5175.371.90000113.9S345 I346 L347S345-S349 WeakPolarHBondContact O-CB 3.42Å; S345-S349 PolarHBondContact O-N 2.88Å; S345-S349 PolarHBondContact O-OG 3.3Å; I346-S349 PolarHBondContact O-N 2.93Å; I346-S349 VanDerWaalsContact O-N 3.08Å; I346-S349 PolarHBondContact O-OG 2.8Å; L347-S349 VanDerWaalsContact C-N 3.27Å; L347-S349 PolarHBondContact O-N 3.25Å
350L90.5Very high92.3Very high81 Ų8144.4 Ų44.442%0.42423%0.229SC..SBendtrans-77.1140.8178.6-62.5176.2000111.3I346 L347 T352 F353I346-L350 PolarHBondContact O-N 2.85Å; L347-L350 HydrophobicContact CD1-CD1 4.35Å; L347-L350 PolarHBondContact O-N 3.28Å; L350-T352 PolarHBondContact O-N 3.12Å; L350-T352 VanDerWaalsContact O-N 3.14Å; L350-F353 WeakPolarHBondContact O-CB 3.49Å; L350-F353 PolarHBondContact O-N 2.94Å
351D87.3Confident92.1Very high139 Ų13950.5 Ų50.574%0.74326%0.255SS*.THydrogen-bonded Turntrans-60.1-28.9176.6-68.2-40.3000113F353 K354D351-F353 PolarHBondContact O-N 3.34Å; D351-K354 PolarHBondContact O-N 3.06Å
352T87.9Confident91.9Very high77 Ų7752 Ų5247%0.47226%0.262SS..THydrogen-bonded Turntrans-66.1-19.5175.850.40000112.9L350 K354 K355L350-T352 PolarHBondContact O-N 3.12Å; L350-T352 VanDerWaalsContact O-N 3.14Å; T352-K354 PolarHBondContact O-N 3.39Å; T352-K355 WeakPolarHBondContact O-CB 3.41Å; T352-K355 PolarHBondContact O-N 3.2Å; T352-K355 VanDerWaalsContact O-N 3.07Å
353F86.9Confident91.8Very high2 Ų252.2 Ų52.21%0.00926%0.261CS..Hα-helixtrans-58-35.6178.7-172.1-121.2000112.6P11 L109 F138 L347 A348 L350 D351 K355 M356 W357P11-F353 HydrophobicContact CB-CE1 4.1Å; P11-F353 HydrophobicContact CG-CD1 4.23Å; P11-F353 HydrophobicContact CG-CE1 4.02Å; L109-F353 HydrophobicContact CB-CZ 4.05Å; L109-F353 HydrophobicContact CD1-CE2 3.84Å; L109-F353 HydrophobicContact CD1-CZ 4.06Å; L109-F353 HydrophobicContact CG-CE2 4.48Å; L109-F353 HydrophobicContact CG-CZ 4.4Å; F138-F353 HydrophobicContact CB-CE2 3.87Å; F138-F353 HydrophobicContact CB-CZ 3.92Å; F138-F353 AromaticContact CD1-CE2 3.63Å; F138-F353 HydrophobicContact CD1-CE2 3.63Å; F138-F353 HydrophobicContact CD1-CZ 4.4Å; F138-F353 HydrophobicContact CE1-CE2 4.42Å; F138-F353 AromaticContact CG-CE2 3.91Å; F138-F353 HydrophobicContact CG-CE2 3.91Å; F138-F353 HydrophobicContact CG-CZ 4.46Å; L347-F353 HydrophobicContact CG-CD2 4.37Å; L347-F353 WeakPolarHBondContact O-CB 3.48Å; A348-F353 HydrophobicContact CB-CD1 4.1Å; A348-F353 HydrophobicContact CB-CE1 3.87Å; A348-F353 HydrophobicContact CB-CE2 4.41Å; A348-F353 HydrophobicContact CB-CG 4.48Å; A348-F353 HydrophobicContact CB-CZ 4.06Å; A348-F353 WeakPolarHBondContact O-CD1 3.28Å; L350-F353 WeakPolarHBondContact O-CB 3.49Å; L350-F353 PolarHBondContact O-N 2.94Å; D351-F353 PolarHBondContact O-N 3.34Å; F353-K355 PolarHBondContact O-N 2.88Å; F353-M356 HydrophobicContact CB-CE 4.4Å; F353-M356 HydrophobicContact CD2-CE 4.17Å; F353-M356 PolarHBondContact O-N 2.88Å; F353-W357 AromaticContact CD1-CE3 3.5Å; F353-W357 HydrophobicContact CD1-CE3 3.5Å; F353-W357 AromaticContact CD1-CZ3 3.55Å; F353-W357 HydrophobicContact CD1-CZ3 3.55Å; F353-W357 AromaticContact CE1-CE3 3.46Å; F353-W357 HydrophobicContact CE1-CE3 3.46Å; F353-W357 VanDerWaalsContact CE1-CE3 3.46Å; F353-W357 AromaticContact CE1-CZ3 3.77Å; F353-W357 HydrophobicContact CE1-CZ3 3.77Å; F353-W357 HydrophobicContact CG-CE3 4.32Å; F353-W357 HydrophobicContact CZ-CE3 4.24Å; F353-W357 PolarHBondContact O-N 3.27Å
354K86.3Confident91.7Very high101 Ų10158.4 Ų58.444%0.43929%0.29SS..Hα-helixtrans-58.3-24.3177.6-59.9-173.1175.8179.20113.7D351 T352 W357D351-K354 PolarHBondContact O-N 3.06Å; T352-K354 PolarHBondContact O-N 3.39Å; K354-W357 HydrophobicContact CB-CH2 4.1Å; K354-W357 HydrophobicContact CB-CZ2 3.86Å; K354-W357 HydrophobicContact CG-CH2 3.61Å; K354-W357 HydrophobicContact CG-CZ2 3.83Å; K354-W357 HydrophobicContact CG-CZ3 4.29Å; K354-W357 PolarHBondContact O-NE1 2.85Å
355K87.4Confident91.6Very high169 Ų16964.7 Ų64.774%0.73532%0.32SS*.Hα-helixtrans-87.2-19178.9-61.2-179.2-179.1177.20112.9T352 F353T352-K355 WeakPolarHBondContact O-CB 3.41Å; T352-K355 PolarHBondContact O-N 3.2Å; T352-K355 VanDerWaalsContact O-N 3.07Å; F353-K355 PolarHBondContact O-N 2.88Å
356M89.1Confident91.4Very high59 Ų5968 Ų6829%0.29134%0.338SS..Hα-helixtrans-94.1-30.2-172.3-66.2-172.5-7700113.1F138 L347 F353 K374F138-M356 HydrophobicContact CD2-CB 4.11Å; F138-M356 VanDerWaalsContact CD2-O 3.27Å; F138-M356 WeakPolarHBondContact CD2-O 3.44Å; F138-M356 HydrophobicContact CE2-CB 3.87Å; F138-M356 HydrophobicContact CZ-CB 4.32Å; L347-M356 HydrophobicContact CD1-CE 3.77Å; L347-M356 HydrophobicContact CG-CE 4.33Å; F353-M356 HydrophobicContact CB-CE 4.4Å; F353-M356 HydrophobicContact CD2-CE 4.17Å; F353-M356 PolarHBondContact O-N 2.88Å; M356-K374 VanDerWaalsContact O-CD 3.25Å; M356-K374 WeakPolarHBondContact O-CD 3.44Å
357W91.7Very high91.3Very high18 Ų1865.9 Ų65.97%0.06833%0.333CS..SBendtrans-69.6158.9179.561.746.1000112.8A8 P11 P107 A136 F138 F353 K354 K374A8-W357 HydrophobicContact CB-CH2 3.66Å; A8-W357 HydrophobicContact CB-CZ2 4.28Å; P11-W357 HydrophobicContact CG-CZ3 4.5Å; P107-W357 HydrophobicContact CB-CE3 4.05Å; P107-W357 HydrophobicContact CB-CH2 4.48Å; P107-W357 HydrophobicContact CB-CZ3 3.87Å; P107-W357 HydrophobicContact CG-CH2 4.1Å; P107-W357 HydrophobicContact CG-CZ3 3.94Å; A136-W357 HydrophobicContact CB-CB 4.12Å; A136-W357 HydrophobicContact CB-CD2 3.88Å; A136-W357 HydrophobicContact CB-CG 3.68Å; F138-W357 HydrophobicContact CB-CB 4.08Å; F353-W357 AromaticContact CD1-CE3 3.5Å; F353-W357 HydrophobicContact CD1-CE3 3.5Å; F353-W357 AromaticContact CD1-CZ3 3.55Å; F353-W357 HydrophobicContact CD1-CZ3 3.55Å; F353-W357 AromaticContact CE1-CE3 3.46Å; F353-W357 HydrophobicContact CE1-CE3 3.46Å; F353-W357 VanDerWaalsContact CE1-CE3 3.46Å; F353-W357 AromaticContact CE1-CZ3 3.77Å; F353-W357 HydrophobicContact CE1-CZ3 3.77Å; F353-W357 HydrophobicContact CG-CE3 4.32Å; F353-W357 HydrophobicContact CZ-CE3 4.24Å; F353-W357 PolarHBondContact O-N 3.27Å; K354-W357 HydrophobicContact CB-CH2 4.1Å; K354-W357 HydrophobicContact CB-CZ2 3.86Å; K354-W357 HydrophobicContact CG-CH2 3.61Å; K354-W357 HydrophobicContact CG-CZ2 3.83Å; K354-W357 HydrophobicContact CG-CZ3 4.29Å; K354-W357 PolarHBondContact O-NE1 2.85Å; W357-K374 WeakPolarHBondContact O-CD 3.15Å; W357-K374 PolarHBondContact O-NZ 2.91Å
358V94.1Very high91Very high4 Ų467 Ų672%0.02434%0.342CS..EExtended strand (participates in β ladder)trans-95.4124.3166.5177.90000107.7F129 A136 L137 E362 A370 I371 K374F129-V358 HydrophobicContact CZ-CB 4.47Å; F129-V358 HydrophobicContact CZ-CG1 4.27Å; F129-V358 WeakPolarHBondContact CZ-O 3.22Å; A136-V358 CarbonylContact C-O 3.56Å; A136-V358 WeakPolarHBondContact CA-O 3.42Å; L137-V358 PolarHBondContact N-O 3.2Å; L137-V358 PolarHBondContact O-N 3.3Å; V358-E362 HydrophobicContact CG1-CB 4.19Å; V358-E362 HydrophobicContact CG1-CG 4.28Å; V358-A370 HydrophobicContact CG1-CB 3.89Å; V358-A370 HydrophobicContact CG2-CB 4.44Å; V358-I371 HydrophobicContact CB-CD1 3.89Å; V358-I371 HydrophobicContact CG1-CD1 3.96Å; V358-I371 HydrophobicContact CG2-CD1 3.9Å; V358-K374 HydrophobicContact CG2-CB 4.06Å; V358-K374 HydrophobicContact CG2-CD 3.78Å; V358-K374 HydrophobicContact CG2-CG 4.11Å
359S94.2Very high90.8Very high26 Ų2676.3 Ų76.318%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-78.9156.7175.669.30000111K361 E362 Y363S359-K361 PolarHBondContact O-N 3.14Å; S359-E362 PolarHBondContact O-N 2.74Å; S359-E362 VanDerWaalsContact O-N 3.11Å; S359-E362 WeakPolarHBondContact OG-CB 3.46Å; S359-E362 PolarHBondContact OG-N 3.16Å; S359-E362 VanDerWaalsContact OG-N 3.17Å; S359-Y363 PolarHBondContact O-N 3.48Å
360K93Very high90.7Very high60 Ų6073.1 Ų73.126%0.26135%0.354SS..Hα-helixtrans-54.8-41.9175.8-168.7-178.9-175.2-147.40112.4F129 N133 P135 Y363 E364F129-K360 HydrophobicContact CD1-CB 3.98Å; F129-K360 HydrophobicContact CD1-CG 3.92Å; F129-K360 HydrophobicContact CE1-CB 4.08Å; N133-K360 WeakPolarHBondContact OD1-CE 3.18Å; N133-K360 PolarHBondContact OD1-NZ 2.96Å; P135-K360 PolarHBondContact O-N 2.99Å; K360-Y363 WeakPolarHBondContact O-CB 3.34Å; K360-Y363 PolarHBondContact O-N 3.03Å; K360-E364 WeakPolarHBondContact CE-OE1 3.38Å; K360-E364 IonicContact NZ-OE1 3.55Å; K360-E364 PolarHBondContact NZ-OE1 3.36Å; K360-E364 WeakPolarHBondContact O-CG 3.24Å; K360-E364 PolarHBondContact O-N 3.33Å
361K92Very high90.7Very high136 Ų13669.4 Ų69.459%0.59133%0.334SS*.Hα-helixtrans-62.4-44.9176.6-176.7178.6173.2-179.20112.4S359 Y363 E364 E365S359-K361 PolarHBondContact O-N 3.14Å; K361-Y363 VanDerWaalsContact C-N 3.26Å; K361-Y363 PolarHBondContact O-N 3.31Å; K361-E364 PolarHBondContact O-N 3.14Å; K361-E365 WeakPolarHBondContact CE-OE1 3.13Å; K361-E365 IonicContact NZ-OE1 3.8Å; K361-E365 WeakPolarHBondContact O-CG 3.27Å; K361-E365 PolarHBondContact O-N 2.98Å
362E92.9Very high90.7Very high31 Ų3165.5 Ų65.515%0.14531%0.311CS..Hα-helixtrans-62.4-36.4176.4-173.4-179.6-176.100111.1V358 S359 D366 A370 R373 K374V358-E362 HydrophobicContact CG1-CB 4.19Å; V358-E362 HydrophobicContact CG1-CG 4.28Å; S359-E362 PolarHBondContact O-N 2.74Å; S359-E362 VanDerWaalsContact O-N 3.11Å; S359-E362 WeakPolarHBondContact OG-CB 3.46Å; S359-E362 PolarHBondContact OG-N 3.16Å; S359-E362 VanDerWaalsContact OG-N 3.17Å; E362-D366 WeakPolarHBondContact O-CB 3.13Å; E362-D366 PolarHBondContact O-N 3.39Å; E362-A370 HydrophobicContact CG-CB 3.96Å; E362-R373 IonicContact OE1-CZ 3.91Å; E362-R373 IonicContact OE1-NH2 2.77Å; E362-R373 PolarHBondContact OE1-NH2 2.87Å; E362-K374 VanDerWaalsContact OE1-CE 3.25Å; E362-K374 WeakPolarHBondContact OE1-CE 3.34Å; E362-K374 IonicContact OE1-NZ 2.74Å; E362-K374 PolarHBondContact OE1-NZ 2.98Å; E362-K374 IonicContact OE2-NZ 3.93Å; E362-K374 PolarHBondContact OE2-NZ 3.42Å
363Y94.1Very high90.5Very high29 Ų2968.8 Ų68.811%0.11432%0.315CS..Hα-helixtrans-68.9-40.7174.5-179-100.6000112.9A125 F129 S359 K360 K361 E365 G367 I371A125-Y363 HydrophobicContact CB-CE2 4.23Å; F129-Y363 HydrophobicContact CB-CD1 3.71Å; F129-Y363 HydrophobicContact CB-CE1 3.82Å; F129-Y363 HydrophobicContact CB-CG 4.44Å; F129-Y363 AromaticContact CD2-CD1 3.53Å; F129-Y363 HydrophobicContact CD2-CD1 3.53Å; F129-Y363 AromaticContact CD2-CD2 3.66Å; F129-Y363 HydrophobicContact CD2-CD2 3.66Å; F129-Y363 AromaticContact CD2-CE1 3.91Å; F129-Y363 HydrophobicContact CD2-CE1 3.91Å; F129-Y363 HydrophobicContact CD2-CE2 4.02Å; F129-Y363 AromaticContact CD2-CG 3.39Å; F129-Y363 HydrophobicContact CD2-CG 3.39Å; F129-Y363 HydrophobicContact CE2-CD1 4.27Å; F129-Y363 AromaticContact CE2-CD2 3.78Å; F129-Y363 HydrophobicContact CE2-CD2 3.78Å; F129-Y363 HydrophobicContact CE2-CE2 4.45Å; F129-Y363 AromaticContact CE2-CG 3.67Å; F129-Y363 HydrophobicContact CE2-CG 3.67Å; F129-Y363 AromaticContact CG-CD1 3.7Å; F129-Y363 HydrophobicContact CG-CD1 3.7Å; F129-Y363 HydrophobicContact CG-CE1 4.18Å; F129-Y363 AromaticContact CG-CG 3.94Å; F129-Y363 HydrophobicContact CG-CG 3.94Å; F129-Y363 HydrophobicContact CZ-CG 4.4Å; S359-Y363 PolarHBondContact O-N 3.48Å; K360-Y363 WeakPolarHBondContact O-CB 3.34Å; K360-Y363 PolarHBondContact O-N 3.03Å; K361-Y363 VanDerWaalsContact C-N 3.26Å; K361-Y363 PolarHBondContact O-N 3.31Å; Y363-E365 VanDerWaalsContact C-N 3.28Å; Y363-E365 PolarHBondContact O-N 2.76Å; Y363-G367 WeakPolarHBondContact O-CA 3Å; Y363-G367 PolarHBondContact O-N 3.43Å; Y363-I371 HydrophobicContact CD2-CD1 4.33Å; Y363-I371 HydrophobicContact CD2-CG1 4.17Å; Y363-I371 HydrophobicContact CE2-CG1 4.37Å
364E92.9Very high90.2Very high130 Ų13071.7 Ų71.761%0.60733%0.328SS*.Hα-helixtrans-65.9-30.2176.3-72.5171.9-178.100112.5K360 K361K360-E364 WeakPolarHBondContact CE-OE1 3.38Å; K360-E364 IonicContact NZ-OE1 3.55Å; K360-E364 PolarHBondContact NZ-OE1 3.36Å; K360-E364 WeakPolarHBondContact O-CG 3.24Å; K360-E364 PolarHBondContact O-N 3.33Å; K361-E364 PolarHBondContact O-N 3.14Å
365E93.6Very high89.5Confident133 Ų13367.8 Ų67.862%0.62131%0.312SS*.Hα-helixtrans-82.8-51.4178.7-70.9174.5-177.600113.2K361 Y363K361-E365 WeakPolarHBondContact CE-OE1 3.13Å; K361-E365 IonicContact NZ-OE1 3.8Å; K361-E365 WeakPolarHBondContact O-CG 3.27Å; K361-E365 PolarHBondContact O-N 2.98Å; Y363-E365 VanDerWaalsContact C-N 3.28Å; Y363-E365 PolarHBondContact O-N 2.76Å
366D91.3Very high88.2Confident73 Ų7367 Ų6739%0.3931%0.309SS..Hα-helixtrans-100.3-11.5-172-81.3-8.6000113.1E362 A370 R373E362-D366 WeakPolarHBondContact O-CB 3.13Å; E362-D366 PolarHBondContact O-N 3.39Å; D366-A370 HydrophobicContact CB-CB 3.84Å; D366-R373 IonicContact OD2-CZ 3.71Å; D366-R373 IonicContact OD2-NH1 3.31Å; D366-R373 PolarHBondContact OD2-NH1 2.88Å; D366-R373 IonicContact OD2-NH2 3.26Å; D366-R373 PolarHBondContact OD2-NH2 2.91Å
367G91.7Very high88.1Confident26 Ų2667.5 Ų67.527%0.26831%0.31SS..THydrogen-bonded Turntrans62.8-144-176.600000113.4Y363 R369 A370Y363-G367 WeakPolarHBondContact O-CA 3Å; Y363-G367 PolarHBondContact O-N 3.43Å; G367-R369 PolarHBondContact O-N 3.27Å; G367-R369 VanDerWaalsContact O-N 3.13Å; G367-A370 PolarHBondContact O-N 2.8Å
368S89.1Confident87.9Confident40 Ų4070.1 Ų70.128%0.2832%0.323SS..Hα-helixtrans-60.3-22.7178.953.60000114.4A370 I371 H372S368-A370 VanDerWaalsContact C-N 3.3Å; S368-A370 PolarHBondContact O-N 3.09Å; S368-I371 WeakPolarHBondContact O-CB 3.29Å; S368-I371 PolarHBondContact O-N 3.27Å; S368-H372 PolarHBondContact O-CD2 2.94Å; S368-H372 PolarHBondContact O-N 2.65Å
369R89.6Confident87.6Confident202 Ų20273.7 Ų73.776%0.76234%0.34SS*.Hα-helixtrans-65.4-33.6-179.4-65.2-179.6179.2173.90.9112.2G367 I371 H372 R373G367-R369 PolarHBondContact O-N 3.27Å; G367-R369 VanDerWaalsContact O-N 3.13Å; R369-I371 VanDerWaalsContact C-N 3.28Å; R369-I371 PolarHBondContact O-N 3.05Å; R369-H372 PolarHBondContact O-N 3.31Å; R369-R373 WeakPolarHBondContact O-CB 3.15Å; R369-R373 PolarHBondContact O-N 3Å
370A89.3Confident87.2Confident0 Ų076.5 Ų76.50%035%0.349CS..Hα-helixtrans-60.8-39.517600000112V358 E362 D366 G367 S368 K374V358-A370 HydrophobicContact CG1-CB 3.89Å; V358-A370 HydrophobicContact CG2-CB 4.44Å; E362-A370 HydrophobicContact CG-CB 3.96Å; D366-A370 HydrophobicContact CB-CB 3.84Å; G367-A370 PolarHBondContact O-N 2.8Å; S368-A370 VanDerWaalsContact C-N 3.3Å; S368-A370 PolarHBondContact O-N 3.09Å; A370-K374 PolarHBondContact O-N 3.17Å
371I89.8Confident86.8Confident3 Ų377.6 Ų77.62%0.01535%0.354CS..Hα-helixtrans-63.6-53.6178.2-54.6-67.1000109.5R121 A125 F129 I139 V358 Y363 S368 R369 R373 K374 T375R121-I371 HydrophobicContact CG-CG2 4.01Å; A125-I371 HydrophobicContact CB-CD1 4Å; A125-I371 HydrophobicContact CB-CG1 3.97Å; F129-I371 HydrophobicContact CE2-CD1 3.97Å; I139-I371 HydrophobicContact CD1-CG2 4.18Å; V358-I371 HydrophobicContact CB-CD1 3.89Å; V358-I371 HydrophobicContact CG1-CD1 3.96Å; V358-I371 HydrophobicContact CG2-CD1 3.9Å; Y363-I371 HydrophobicContact CD2-CD1 4.33Å; Y363-I371 HydrophobicContact CD2-CG1 4.17Å; Y363-I371 HydrophobicContact CE2-CG1 4.37Å; S368-I371 WeakPolarHBondContact O-CB 3.29Å; S368-I371 PolarHBondContact O-N 3.27Å; R369-I371 VanDerWaalsContact C-N 3.28Å; R369-I371 PolarHBondContact O-N 3.05Å; I371-R373 VanDerWaalsContact C-N 3.27Å; I371-R373 PolarHBondContact O-N 2.99Å; I371-K374 PolarHBondContact O-N 2.64Å; I371-K374 VanDerWaalsContact O-N 3.09Å; I371-T375 PolarHBondContact O-N 3.49Å; I371-T375 PolarHBondContact O-OG1 3.34Å
372H87.8Confident86.5Confident56 Ų5673.7 Ų73.726%0.25934%0.338SS..Hα-helixtrans-61.4-34.4-178.1-62.2-52.1000113.3R121 E122 S368 R369 K374R121-H372 PolarHBondContact NH1-ND1 3.12Å; E122-H372 IonicContact OE1-CD2 3.59Å; E122-H372 IonicContact OE1-CE1 2.73Å; E122-H372 IonicContact OE1-NE2 3.31Å; E122-H372 PolarHBondContact OE1-NE2 2.91Å; S368-H372 PolarHBondContact O-CD2 2.94Å; S368-H372 PolarHBondContact O-N 2.65Å; R369-H372 PolarHBondContact O-N 3.31Å; H372-K374 VanDerWaalsContact C-N 3.32Å; H372-K374 PolarHBondContact O-N 2.82Å
373R83.3Confident86Confident147 Ų14776.7 Ų76.756%0.55535%0.352SS*.Hα-helixtrans-66-31.6177.1-176.7177.368-153.5-4.5113.1E362 D366 R369 I371E362-R373 IonicContact OE1-CZ 3.91Å; E362-R373 IonicContact OE1-NH2 2.77Å; E362-R373 PolarHBondContact OE1-NH2 2.87Å; D366-R373 IonicContact OD2-CZ 3.71Å; D366-R373 IonicContact OD2-NH1 3.31Å; D366-R373 PolarHBondContact OD2-NH1 2.88Å; D366-R373 IonicContact OD2-NH2 3.26Å; D366-R373 PolarHBondContact OD2-NH2 2.91Å; R369-R373 WeakPolarHBondContact O-CB 3.15Å; R369-R373 PolarHBondContact O-N 3Å; I371-R373 VanDerWaalsContact C-N 3.27Å; I371-R373 PolarHBondContact O-N 2.99Å
374K80.8Confident85.4Confident63 Ų6380.4 Ų80.427%0.27437%0.371SS..Hα-helixtrans-98.5-13.1-176.4-69-157.3-179.1163.90114.1M356 W357 V358 E362 A370 I371 H372M356-K374 VanDerWaalsContact O-CD 3.25Å; M356-K374 WeakPolarHBondContact O-CD 3.44Å; W357-K374 WeakPolarHBondContact O-CD 3.15Å; W357-K374 PolarHBondContact O-NZ 2.91Å; V358-K374 HydrophobicContact CG2-CB 4.06Å; V358-K374 HydrophobicContact CG2-CD 3.78Å; V358-K374 HydrophobicContact CG2-CG 4.11Å; E362-K374 VanDerWaalsContact OE1-CE 3.25Å; E362-K374 WeakPolarHBondContact OE1-CE 3.34Å; E362-K374 IonicContact OE1-NZ 2.74Å; E362-K374 PolarHBondContact OE1-NZ 2.98Å; E362-K374 IonicContact OE2-NZ 3.93Å; E362-K374 PolarHBondContact OE2-NZ 3.42Å; A370-K374 PolarHBondContact O-N 3.17Å; I371-K374 PolarHBondContact O-N 2.64Å; I371-K374 VanDerWaalsContact O-N 3.09Å; H372-K374 VanDerWaalsContact C-N 3.32Å; H372-K374 PolarHBondContact O-N 2.82Å
375T72.7Confident84.8Confident18 Ų1876.3 Ų76.311%0.1135%0.351CS..Hα-helixtrans-88.2-15.9-179.5-47.20000113.4I139 I371I139-T375 HydrophobicContact CB-CG2 4.49Å; I371-T375 PolarHBondContact O-N 3.49Å; I371-T375 PolarHBondContact O-OG1 3.34Å
376F58.6Low84Confident154 Ų15471.1 Ų71.168%0.67533%0.326SS*.  trans-151.50179.3-68.1-84.4000113.7M141M141-F376 HydrophobicContact CE-CD1 3.81Å; M141-F376 HydrophobicContact CE-CE1 3.09Å; M141-F376 HydrophobicContact CE-CZ 3.69Å; M141-F376 HydrophobicContact CG-CE1 4.4Å; M141-F376 HydrophobicContact CG-CZ 4.13Å; M141-F376 HydrophobicContact SD-CE1 3.47Å; M141-F376 WeakPolarHBondContact SD-CE1 3.47Å; M141-F376 HydrophobicContact SD-CZ 3.75Å

Retrieved 376 of 376 residues in 111.6 ms (Link to these results)

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