A0A096NAY0_PAPAN Loading...

Translation initiation factor eIF2B subunit gamma

Acts as a component of the translation initiation factor 2B (eIF2B) complex, which catalyzes the exchange of GDP for GTP on the eukaryotic initiation factor 2 (eIF2) complex gamma subunit. Its guanine nucleotide exchange factor activity is repressed when bound to eIF2 complex phosphorylated on the alpha subunit, thereby limiting the amount of methionyl-initiator methionine tRNA available to the ribosome and consequently global translation is repressed.

AlphaFold DB , UniProt , Accession A0A096NAY0, Species PAPAN (Papio anubis, Olive baboon), Gene EIF2B3, Length 452 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
1M63.1Low82.4Confident142 Ų14234.2 Ų34.270%0.719%0.19SC*.  0134.20-65-170.2-16700107.5E50 T99M1-E50 HydrophobicContact CE-CB 4.2Å; M1-E50 WeakPolarHBondContact CE-OE2 3.09Å; M1-T99 WeakPolarHBondContact O-CG2 3.47Å
2E82.3Confident80.7Confident103 Ų10336.9 Ų36.948%0.48123%0.232SC..  trans-85.6-43.3178-170.7-177.4156.400111.1R122E2-R122 IonicContact OE1-CZ 2.71Å; E2-R122 IonicContact OE1-NE 3.4Å; E2-R122 PolarHBondContact OE1-NE 3.25Å; E2-R122 IonicContact OE1-NH2 2.78Å; E2-R122 PolarHBondContact OE1-NH2 2.87Å; E2-R122 VanDerWaalsContact OE1-NH2 3.14Å; E2-R122 IonicContact OE2-CZ 2.99Å; E2-R122 IonicContact OE2-NE 2.69Å; E2-R122 IonicContact OE2-NH2 3.74Å; E2-R122 PolarHBondContact OE2-NH2 3.45Å
3F88.5Confident79.7Confident15 Ų1534.8 Ų34.87%0.06622%0.221CC..EExtended strand (participates in β ladder)trans-123.3146.9177.8-64.8-78.2000111.3F48 D100 V118 F121F3-F48 HydrophobicContact CB-CE1 4.02Å; F3-F48 HydrophobicContact CB-CZ 4.26Å; F3-D100 CarbonylContact C-O 3.56Å; F3-D100 WeakPolarHBondContact CA-O 3.21Å; F3-D100 HydrophobicContact CD1-CB 3.65Å; F3-D100 HydrophobicContact CE1-CB 3.69Å; F3-V118 HydrophobicContact CE2-CG1 3.8Å; F3-V118 HydrophobicContact CZ-CG1 4.28Å; F3-F121 AromaticContact CE1-CD1 3.84Å; F3-F121 HydrophobicContact CE1-CD1 3.84Å; F3-F121 AromaticContact CE1-CE1 3.51Å; F3-F121 HydrophobicContact CE1-CE1 3.51Å; F3-F121 HydrophobicContact CE1-CZ 4.16Å; F3-F121 AromaticContact CZ-CD1 3.58Å; F3-F121 HydrophobicContact CZ-CD1 3.58Å; F3-F121 AromaticContact CZ-CE1 3.63Å; F3-F121 HydrophobicContact CZ-CE1 3.63Å
4Q91.4Very high78.8Confident23 Ų2339.9 Ų39.911%0.10726%0.258CS..EExtended strand (participates in β ladder)trans-108.6122.1165.2-79.4174.9-43.900108.9K96 T99 D100 V101 L102Q4-K96 PolarHBondContact NE2-O 2.75Å; Q4-T99 WeakPolarHBondContact CG-OG1 2.88Å; Q4-T99 PolarHBondContact N-OG1 3.31Å; Q4-D100 PolarHBondContact N-O 3.34Å; Q4-V101 WeakPolarHBondContact O-CA 3.45Å; Q4-L102 PolarHBondContact O-N 2.83Å
5A92.1Very high78.2Confident1 Ų146.8 Ų46.81%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-85.713217900000111.2L43 F48 V51 I52 L102A5-L43 HydrophobicContact CB-CD1 3.88Å; A5-L43 HydrophobicContact CB-CD2 3.58Å; A5-L43 HydrophobicContact CB-CG 4.36Å; A5-F48 HydrophobicContact CB-CD1 4Å; A5-F48 HydrophobicContact CB-CE1 4.09Å; A5-F48 HydrophobicContact CB-CG 4.42Å; A5-V51 HydrophobicContact CB-CG1 4.38Å; A5-V51 HydrophobicContact CB-CG2 4.32Å; A5-I52 PolarHBondContact O-N 3.23Å; A5-L102 CarbonylContact C-O 3.57Å; A5-L102 WeakPolarHBondContact CA-O 3.17Å; A5-L102 HydrophobicContact CB-CD2 4.16Å
6V92.4Very high78Confident0 Ų044.2 Ų44.20%026%0.261CS..EExtended strand (participates in β ladder)trans-122.3119.2178.3-179.60000108.5M8 I52 V54 L90 I93 L97 V101 L102 V103 L104V6-M8 HydrophobicContact CG1-CE 3.67Å; V6-M8 HydrophobicContact CG1-SD 3.99Å; V6-I52 CarbonylContact C-O 3.33Å; V6-I52 WeakPolarHBondContact CA-O 3.35Å; V6-I52 HydrophobicContact CG2-CB 4.4Å; V6-V54 HydrophobicContact CG1-CG2 3.97Å; V6-L90 HydrophobicContact CG1-CD2 4.23Å; V6-I93 HydrophobicContact CB-CD1 4.24Å; V6-I93 HydrophobicContact CG1-CD1 3.48Å; V6-I93 VanDerWaalsContact CG1-CD1 3.48Å; V6-I93 HydrophobicContact CG2-CD1 3.64Å; V6-L97 HydrophobicContact CG2-CD2 3.92Å; V6-V101 HydrophobicContact CB-CG1 4.31Å; V6-V101 HydrophobicContact CG2-CG1 3.64Å; V6-L102 PolarHBondContact N-O 2.95Å; V6-V103 WeakPolarHBondContact O-CA 3.44Å; V6-L104 PolarHBondContact O-N 2.83Å
7V91.5Very high77.7Confident0 Ų046.2 Ų46.20%027%0.274CS..EExtended strand (participates in β ladder)trans-101.9119.9174.7-178.90000109.2L40 L43 V51 I52 V53 V54 L104 C106V7-L40 HydrophobicContact CG2-CD2 4.23Å; V7-L43 HydrophobicContact CG2-CD1 3.72Å; V7-V51 HydrophobicContact CG2-CG1 3.79Å; V7-I52 PolarHBondContact N-O 3.39Å; V7-V53 HydrophobicContact CB-CG2 4.36Å; V7-V54 PolarHBondContact O-N 3.42Å; V7-L104 CarbonylContact C-O 3.59Å; V7-L104 WeakPolarHBondContact CA-O 3.3Å; V7-L104 HydrophobicContact CG2-CB 4.5Å; V7-C106 HydrophobicContact CG1-CB 4.49Å
8M88.4Confident77.5Confident9 Ų946.7 Ų46.74%0.04428%0.276CS..EExtended strand (participates in β ladder)trans-91.8113.6-179.6-62.1-61.9-170.500110.8V6 V54 L90 V103 L104 C106V6-M8 HydrophobicContact CG1-CE 3.67Å; V6-M8 HydrophobicContact CG1-SD 3.99Å; M8-V54 HydrophobicContact SD-CB 4.06Å; M8-V54 HydrophobicContact SD-CG2 4.07Å; M8-L90 HydrophobicContact CE-CB 4.44Å; M8-L90 HydrophobicContact CE-CD1 4.42Å; M8-L90 HydrophobicContact CE-CD2 3.24Å; M8-L90 HydrophobicContact CE-CG 3.39Å; M8-V103 HydrophobicContact CE-CG1 4.12Å; M8-V103 HydrophobicContact CG-CG1 3.92Å; M8-L104 PolarHBondContact N-O 3.18Å; M8-C106 WeakPolarHBondContact O-CB 3.22Å; M8-C106 PolarHBondContact O-N 3.18Å
9A82.3Confident77.4Confident2 Ų244.4 Ų44.42%0.01726%0.262CS..  trans-118.222.4178.600000113.2G11 P26 I36 V54 C106A9-G11 VanDerWaalsContact C-N 3.31Å; A9-G11 PolarHBondContact O-N 3.21Å; A9-P26 HydrophobicContact CB-CB 4.2Å; A9-P26 HydrophobicContact CB-CG 3.76Å; A9-I36 HydrophobicContact CB-CD1 4.15Å; A9-V54 WeakPolarHBondContact CA-O 3.5Å; A9-V54 VanDerWaalsContact CB-O 3.26Å; A9-V54 WeakPolarHBondContact CB-O 3.3Å; A9-V54 PolarHBondContact N-O 3.13Å; A9-C106 HydrophobicContact CB-CB 3.98Å
10V69.2Low77.2Confident40 Ų4043.3 Ų43.324%0.24226%0.255CS..  trans-85.80.9-174.9-167.30000112.9G12 V54 I78V10-G12 PolarHBondContact O-N 2.89Å; V10-V54 HydrophobicContact CG2-CB 4.31Å; V10-V54 HydrophobicContact CG2-CG1 3.64Å; V10-I78 HydrophobicContact CG2-CD1 4.41Å
11G65.3Low77Confident41 Ų4144 Ų4442%0.42326%0.262SS..  trans-81.7106-17700000113.5A9 G13A9-G11 VanDerWaalsContact C-N 3.31Å; A9-G11 PolarHBondContact O-N 3.21Å; G11-G13 PolarHBondContact O-N 2.9Å
12G62Low77.3Confident67 Ų6740 Ų4069%0.69125%0.248SC*.  trans-63-5.4175.300000115.9V10 T20V10-G12 PolarHBondContact O-N 2.89Å; G12-T20 PolarHBondContact O-OG1 2.85Å
13G67.1Low77.2Confident9 Ų936.2 Ų36.29%0.09323%0.231CC..  trans70.942173.100000114G11 R15 M16 T17G11-G13 PolarHBondContact O-N 2.9Å; G13-R15 PolarHBondContact O-N 3.15Å; G13-M16 CarbonylContact O-C 3.56Å; G13-M16 WeakPolarHBondContact O-CG 3.45Å; G13-M16 PolarHBondContact O-N 3.36Å; G13-T17 PolarHBondContact O-N 2.9Å
14S67.9Low76.9Confident106 Ų10637.7 Ų37.774%0.74124%0.242SC*.THydrogen-bonded Turntrans-52.6-19.6-179.256.40000115.8
15R70.1Confident76.6Confident144 Ų14437.4 Ų37.454%0.54324%0.241SC..THydrogen-bonded Turntrans-93-1.1177.4-60.5-179.1-173.9-168.9-3.6114.1G13 S314G13-R15 PolarHBondContact O-N 3.15Å; R15-S314 WeakPolarHBondContact CB-O 3.45Å
16M73.6Confident76.3Confident5 Ų537.5 Ų37.53%0.02524%0.241CC..  trans-143.335.6-177.262.4-171.8-42.200111.6G13 D18 L19 T20 K25 L28 Y319G13-M16 CarbonylContact O-C 3.56Å; G13-M16 WeakPolarHBondContact O-CG 3.45Å; G13-M16 PolarHBondContact O-N 3.36Å; M16-D18 PolarHBondContact O-N 2.93Å; M16-D18 VanDerWaalsContact O-N 3.09Å; M16-L19 HydrophobicContact CE-CD1 3.8Å; M16-L19 PolarHBondContact O-N 3.21Å; M16-T20 HydrophobicContact CG-CG2 3.78Å; M16-T20 PolarHBondContact O-N 3.02Å; M16-T20 PolarHBondContact O-OG1 3.4Å; M16-T20 HydrophobicContact SD-CG2 4.36Å; M16-K25 HydrophobicContact SD-CD 4.02Å; M16-K25 HydrophobicContact SD-CG 4Å; M16-L28 HydrophobicContact CE-CD1 3.49Å; M16-L28 VanDerWaalsContact CE-CD1 3.49Å; M16-L28 HydrophobicContact SD-CD1 4.05Å; M16-Y319 HydrophobicContact CE-CG 4.43Å
17T72.8Confident76Confident78 Ų7838.7 Ų38.748%0.47925%0.248SC..Hα-helixtrans-49.8-35.8-17846.70000113.2G13 L19 T20 S21G13-T17 PolarHBondContact O-N 2.9Å; T17-L19 PolarHBondContact O-N 3.1Å; T17-T20 WeakPolarHBondContact CA-OG1 3.48Å; T17-T20 PolarHBondContact O-N 2.96Å; T17-S21 PolarHBondContact O-N 3.25Å
18D74.6Confident75.8Confident56 Ų5638.7 Ų38.730%0.29925%0.248SC..Hα-helixtrans-62.1-27.2179.7-55.2-30.1000113.5M16 L425 V444M16-D18 PolarHBondContact O-N 2.93Å; M16-D18 VanDerWaalsContact O-N 3.09Å; D18-L425 HydrophobicContact CB-CD2 3.34Å; D18-L425 HydrophobicContact CB-CG 4.48Å; D18-V444 HydrophobicContact CB-CG2 4.19Å
19L75.3Confident75.7Confident3 Ų339.2 Ų39.22%0.01625%0.252CS..Hα-helixtrans-95.6-36.7175-66.3-179.3000111.8M16 T17 S21 L28 L316 Y319 M393 V408 C410 L425M16-L19 HydrophobicContact CE-CD1 3.8Å; M16-L19 PolarHBondContact O-N 3.21Å; T17-L19 PolarHBondContact O-N 3.1Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 2.71Å; L19-L28 HydrophobicContact CB-CD1 4.47Å; L19-L28 HydrophobicContact CB-CD2 4.24Å; L19-L316 HydrophobicContact CD1-CD1 3.46Å; L19-L316 VanDerWaalsContact CD1-CD1 3.46Å; L19-L316 HydrophobicContact CG-CD1 4.06Å; L19-Y319 HydrophobicContact CD1-CD1 3.58Å; L19-Y319 HydrophobicContact CD1-CE1 3.62Å; L19-Y319 HydrophobicContact CD1-CG 4.38Å; L19-M393 HydrophobicContact CD2-CE 3.86Å; L19-V408 HydrophobicContact CD2-CG1 3.88Å; L19-C410 VanDerWaalsContact CD2-SG 3.52Å; L19-L425 HydrophobicContact CD2-CD1 3.68Å; L19-L425 HydrophobicContact CG-CD1 4.5Å
20T73.6Confident75.9Confident22 Ų2239.1 Ų39.114%0.13525%0.251CS..Hα-helixtrans-81.9-9.2-172.953.20000114.1G12 M16 T17 S22 I23 K25 L28G12-T20 PolarHBondContact O-OG1 2.85Å; M16-T20 HydrophobicContact CG-CG2 3.78Å; M16-T20 PolarHBondContact O-N 3.02Å; M16-T20 PolarHBondContact O-OG1 3.4Å; M16-T20 HydrophobicContact SD-CG2 4.36Å; T17-T20 WeakPolarHBondContact CA-OG1 3.48Å; T17-T20 PolarHBondContact O-N 2.96Å; T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 PolarHBondContact O-N 3.09Å; T20-I23 VanDerWaalsContact CA-O 3.26Å; T20-I23 WeakPolarHBondContact CA-O 3.37Å; T20-K25 HydrophobicContact CG2-CB 3.88Å; T20-K25 HydrophobicContact CG2-CG 4.44Å; T20-L28 HydrophobicContact CG2-CD1 3.97Å
21S72.4Confident76.5Confident57 Ų5737.3 Ų37.340%0.39924%0.24SC..THydrogen-bonded Turntrans-61.6-33.7174.572.10000112.9T17 L19 Q448T17-S21 PolarHBondContact O-N 3.25Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-S21 PolarHBondContact O-N 2.71Å; S21-Q448 PolarHBondContact OG-OE1 3.18Å
22S71.3Confident77.3Confident58 Ų5837.7 Ų37.741%0.40623%0.233SC..THydrogen-bonded Turntrans-97.9-32-178.9178.30000113.4T20 S428T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 PolarHBondContact O-N 3.09Å; S22-S428 WeakPolarHBondContact CB-OG 3.43Å
23I79.1Confident78.4Confident24 Ų2435.9 Ų35.912%0.12321%0.206CC..SBendtrans-136.7128.4-173.2-52.3173000108.3T20 K25 L27 L28 M393 N411T20-I23 VanDerWaalsContact CA-O 3.26Å; T20-I23 WeakPolarHBondContact CA-O 3.37Å; I23-K25 PolarHBondContact O-N 3.18Å; I23-L27 HydrophobicContact CG2-CB 3.71Å; I23-L28 HydrophobicContact CB-CD2 4.07Å; I23-L28 HydrophobicContact CG2-CD2 4.36Å; I23-M393 HydrophobicContact CD1-SD 4.05Å; I23-N411 WeakPolarHBondContact CD1-ND2 3.43Å
24P82.8Confident79.4Confident46 Ų4636.5 Ų36.530%0.29921%0.208SC..  trans-54.1141.6173-2633.7000112.1P26 L27 L28 V59P24-P26 VanDerWaalsContact C-N 3.33Å; P24-P26 VanDerWaalsContact O-N 3.13Å; P24-L27 HydrophobicContact CB-CD1 4.44Å; P24-L27 HydrophobicContact CG-CD1 4.24Å; P24-L27 PolarHBondContact O-N 2.8Å; P24-L28 PolarHBondContact O-N 3.5Å; P24-V59 HydrophobicContact CB-CG2 3.36Å; P24-V59 HydrophobicContact CG-CG2 3.8Å
25K85.1Confident80.4Confident18 Ų1831.5 Ų31.58%0.07817%0.173CC..G310 helixtrans-47.2-45.2-178.3-170.6-177.4178-168.80114.2M16 T20 I23 L27 L28 L35 D107 V313M16-K25 HydrophobicContact SD-CD 4.02Å; M16-K25 HydrophobicContact SD-CG 4Å; T20-K25 HydrophobicContact CG2-CB 3.88Å; T20-K25 HydrophobicContact CG2-CG 4.44Å; I23-K25 PolarHBondContact O-N 3.18Å; K25-L27 PolarHBondContact O-N 3.09Å; K25-L27 VanDerWaalsContact O-N 3.13Å; K25-L28 HydrophobicContact CG-CD1 4.23Å; K25-L28 WeakPolarHBondContact O-CB 3.38Å; K25-L28 PolarHBondContact O-N 3.3Å; K25-L28 VanDerWaalsContact O-N 3.14Å; K25-L35 WeakPolarHBondContact O-CD1 3.31Å; K25-D107 IonicContact NZ-OD2 3.81Å; K25-D107 PolarHBondContact NZ-OD2 3.38Å; K25-V313 WeakPolarHBondContact CE-O 2.91Å; K25-V313 PolarHBondContact NZ-O 2.93Å
26P86.1Confident81.2Confident3 Ų324.6 Ų24.62%0.01915%0.147CC..G310 helixtrans-62.1-22.8-178.4-22.134.1000114.5A9 P24 L35 I36 V59 C106A9-P26 HydrophobicContact CB-CB 4.2Å; A9-P26 HydrophobicContact CB-CG 3.76Å; P24-P26 VanDerWaalsContact C-N 3.33Å; P24-P26 VanDerWaalsContact O-N 3.13Å; P26-L35 PolarHBondContact O-N 3.3Å; P26-I36 HydrophobicContact CB-CB 4.27Å; P26-I36 HydrophobicContact CB-CD1 4.33Å; P26-I36 WeakPolarHBondContact O-CG2 3.47Å; P26-I36 PolarHBondContact O-N 3.12Å; P26-V59 HydrophobicContact CB-CG1 4.16Å; P26-V59 HydrophobicContact CG-CG1 4.36Å; P26-V59 HydrophobicContact CG-CG2 4.23Å; P26-C106 HydrophobicContact CB-CB 4.25Å; P26-C106 HydrophobicContact CG-CB 4.49Å
27L85.9Confident81.9Confident25 Ų2526 Ų2613%0.13115%0.152CC..G310 helixtrans-98.7-1.8-177.7-62.6171.8000112.8I23 P24 K25 V59 A62I23-L27 HydrophobicContact CG2-CB 3.71Å; P24-L27 HydrophobicContact CB-CD1 4.44Å; P24-L27 HydrophobicContact CG-CD1 4.24Å; P24-L27 PolarHBondContact O-N 2.8Å; K25-L27 PolarHBondContact O-N 3.09Å; K25-L27 VanDerWaalsContact O-N 3.13Å; L27-V59 HydrophobicContact CD1-CG2 4.4Å; L27-V59 HydrophobicContact CG-CG1 4.35Å; L27-A62 HydrophobicContact CD1-CB 3.37Å; L27-A62 HydrophobicContact CD2-CB 4Å; L27-A62 HydrophobicContact CG-CB 4.33Å
28L86.9Confident82.6Confident0 Ų022.8 Ų22.80%013%0.131CC..  trans-59130.9177.2-72.6173.5000109.8M16 L19 T20 I23 P24 K25 V30 L35 Y319 M393M16-L28 HydrophobicContact CE-CD1 3.49Å; M16-L28 VanDerWaalsContact CE-CD1 3.49Å; M16-L28 HydrophobicContact SD-CD1 4.05Å; L19-L28 HydrophobicContact CB-CD1 4.47Å; L19-L28 HydrophobicContact CB-CD2 4.24Å; T20-L28 HydrophobicContact CG2-CD1 3.97Å; I23-L28 HydrophobicContact CB-CD2 4.07Å; I23-L28 HydrophobicContact CG2-CD2 4.36Å; P24-L28 PolarHBondContact O-N 3.5Å; K25-L28 HydrophobicContact CG-CD1 4.23Å; K25-L28 WeakPolarHBondContact O-CB 3.38Å; K25-L28 PolarHBondContact O-N 3.3Å; K25-L28 VanDerWaalsContact O-N 3.14Å; L28-V30 PolarHBondContact O-N 3.14Å; L28-L35 HydrophobicContact CB-CD1 4.04Å; L28-L35 HydrophobicContact CB-CG 4.43Å; L28-L35 WeakPolarHBondContact O-CG 3.41Å; L28-L35 PolarHBondContact O-N 3.16Å; L28-Y319 HydrophobicContact CB-CE2 4.31Å; L28-M393 HydrophobicContact CD2-CE 4.31Å
29P86.1Confident83.3Confident20 Ų2020.2 Ų20.213%0.1312%0.117CC..EExtended strand (participates in β ladder)trans-74.7127.9-177.428.5-33.1000109.9K33 Y319 M393P29-K33 CarbonylContact C-O 3.6Å; P29-K33 WeakPolarHBondContact CA-O 3.24Å; P29-Y319 VanDerWaalsContact O-CE2 3.28Å; P29-Y319 WeakPolarHBondContact O-CE2 3.43Å; P29-Y319 VanDerWaalsContact O-CZ 3.31Å; P29-Y319 PolarHBondContact O-OH 3.32Å; P29-M393 HydrophobicContact CG-CG 4.21Å; P29-M393 HydrophobicContact CG-SD 4.44Å
30V86.6Confident84Confident0 Ų020.4 Ų20.40%012%0.118CC..EExtended strand (participates in β ladder)trans-123.4119.3164.9177.50000107.8L28 N32 K33 L35 Y38 I109 Y319 A322 N323 V326L28-V30 PolarHBondContact O-N 3.14Å; V30-N32 VanDerWaalsContact C-N 3.33Å; V30-N32 PolarHBondContact O-N 2.78Å; V30-K33 CarbonylContact C-O 3.57Å; V30-K33 PolarHBondContact N-O 2.94Å; V30-K33 PolarHBondContact O-N 2.93Å; V30-L35 HydrophobicContact CB-CD2 4.18Å; V30-L35 HydrophobicContact CG2-CD2 3.43Å; V30-L35 VanDerWaalsContact CG2-CD2 3.43Å; V30-L35 HydrophobicContact CG2-CG 3.87Å; V30-Y38 HydrophobicContact CB-CE2 4.04Å; V30-Y38 HydrophobicContact CG1-CE2 4.39Å; V30-Y38 PolarHBondContact O-OH 3.12Å; V30-I109 HydrophobicContact CB-CD1 4.25Å; V30-I109 HydrophobicContact CG1-CD1 3.75Å; V30-I109 HydrophobicContact CG2-CD1 4.3Å; V30-Y319 HydrophobicContact CG2-CD2 3.71Å; V30-Y319 HydrophobicContact CG2-CE2 3.41Å; V30-Y319 VanDerWaalsContact CG2-CE2 3.41Å; V30-A322 HydrophobicContact CG1-CB 4.25Å; V30-N323 VanDerWaalsContact CA-OD1 3.31Å; V30-N323 WeakPolarHBondContact CA-OD1 3.09Å; V30-V326 HydrophobicContact CG1-CB 4.13Å; V30-V326 HydrophobicContact CG1-CG1 4.24Å; V30-V326 HydrophobicContact CG1-CG2 3.62Å
31G82.5Confident84.6Confident2 Ų220.1 Ų20.12%0.02112%0.116CC..THydrogen-bonded Turntrans55.346.8-174.400000113K33 N323 L357G31-K33 PolarHBondContact O-N 2.88Å; G31-N323 PolarHBondContact N-OD1 2.93Å; G31-L357 VanDerWaalsContact O-CD2 3.3Å; G31-L357 WeakPolarHBondContact O-CD2 3.2Å
32N82.1Confident85.3Confident49 Ų4918.4 Ų18.426%0.26210%0.103SC..THydrogen-bonded Turntrans57.113.9-178.2-64.8-14.5000115.9V30 L357 G359 I375 G376V30-N32 VanDerWaalsContact C-N 3.33Å; V30-N32 PolarHBondContact O-N 2.78Å; N32-L357 HydrophobicContact CB-CD2 3.93Å; N32-G359 VanDerWaalsContact ND2-CA 3.26Å; N32-G359 WeakPolarHBondContact ND2-CA 3.49Å; N32-G359 PolarHBondContact ND2-N 3.12Å; N32-G359 VanDerWaalsContact ND2-N 3.16Å; N32-I375 PolarHBondContact ND2-O 2.91Å; N32-I375 PolarHBondContact OD1-O 3.13Å; N32-G376 WeakPolarHBondContact OD1-CA 3.49Å
33K85.3Confident86.1Confident28 Ų2815.7 Ų15.712%0.1228%0.083CC..EExtended strand (participates in β ladder)trans-122.1141.8171.1-61.9-173.2-172-75.40109.4P29 V30 G31 W37 Y38 L330 E337P29-K33 CarbonylContact C-O 3.6Å; P29-K33 WeakPolarHBondContact CA-O 3.24Å; V30-K33 CarbonylContact C-O 3.57Å; V30-K33 PolarHBondContact N-O 2.94Å; V30-K33 PolarHBondContact O-N 2.93Å; G31-K33 PolarHBondContact O-N 2.88Å; K33-W37 HydrophobicContact CB-CB 4.41Å; K33-W37 HydrophobicContact CB-CD2 4.22Å; K33-W37 HydrophobicContact CB-CE3 4.09Å; K33-W37 HydrophobicContact CB-CG 4.36Å; K33-W37 HydrophobicContact CD-CD2 3.54Å; K33-W37 HydrophobicContact CD-CE3 3.49Å; K33-W37 VanDerWaalsContact CD-CE3 3.49Å; K33-W37 HydrophobicContact CD-CG 4.29Å; K33-W37 HydrophobicContact CD-CH2 3.6Å; K33-W37 HydrophobicContact CD-CZ2 3.65Å; K33-W37 HydrophobicContact CD-CZ3 3.52Å; K33-W37 HydrophobicContact CG-CD2 4.46Å; K33-W37 HydrophobicContact CG-CE3 4.43Å; K33-Y38 HydrophobicContact CB-CE2 4.49Å; K33-L330 HydrophobicContact CD-CD2 4.24Å; K33-E337 WeakPolarHBondContact CE-OE2 3.32Å; K33-E337 IonicContact NZ-OE1 3.56Å; K33-E337 PolarHBondContact NZ-OE1 3.13Å; K33-E337 IonicContact NZ-OE2 2.64Å; K33-E337 PolarHBondContact NZ-OE2 3.34Å
34P87.6Confident86.4Confident23 Ų2317.6 Ų17.615%0.1499%0.092CC..EExtended strand (participates in β ladder)trans-62.9147.8177.325.4-34.8000111.4I36 W37 F67P34-I36 VanDerWaalsContact C-N 3.26Å; P34-I36 HydrophobicContact CB-CG2 4.4Å; P34-I36 PolarHBondContact O-N 2.99Å; P34-W37 HydrophobicContact CG-CB 4.19Å; P34-W37 WeakPolarHBondContact O-CB 3.3Å; P34-W37 PolarHBondContact O-N 3.3Å; P34-F67 HydrophobicContact CB-CZ 4.1Å; P34-F67 HydrophobicContact CG-CE1 3.95Å; P34-F67 HydrophobicContact CG-CE2 3.96Å; P34-F67 HydrophobicContact CG-CZ 3.23Å
35L87.9Confident86.5Confident0 Ų021.1 Ų21.10%010%0.099CC..THydrogen-bonded Turntrans-51.9-42.2-177.7-87.9177.9000113.6K25 P26 L28 V30 W37 Y38 P39 C106 I109 V313K25-L35 WeakPolarHBondContact O-CD1 3.31Å; P26-L35 PolarHBondContact O-N 3.3Å; L28-L35 HydrophobicContact CB-CD1 4.04Å; L28-L35 HydrophobicContact CB-CG 4.43Å; L28-L35 WeakPolarHBondContact O-CG 3.41Å; L28-L35 PolarHBondContact O-N 3.16Å; V30-L35 HydrophobicContact CB-CD2 4.18Å; V30-L35 HydrophobicContact CG2-CD2 3.43Å; V30-L35 VanDerWaalsContact CG2-CD2 3.43Å; V30-L35 HydrophobicContact CG2-CG 3.87Å; L35-W37 PolarHBondContact O-N 2.95Å; L35-W37 VanDerWaalsContact O-N 3.14Å; L35-Y38 WeakPolarHBondContact O-CD2 3.35Å; L35-Y38 PolarHBondContact O-N 3.17Å; L35-P39 VanDerWaalsContact O-CD 3.27Å; L35-P39 WeakPolarHBondContact O-CD 3.43Å; L35-C106 CarbonylContact C-O 3.55Å; L35-I109 HydrophobicContact CD2-CD1 3.87Å; L35-I109 HydrophobicContact CD2-CG1 4.19Å; L35-V313 HydrophobicContact CD1-CB 4.26Å; L35-V313 HydrophobicContact CD1-CG1 4.11Å; L35-V313 HydrophobicContact CD2-CB 4.16Å; L35-V313 HydrophobicContact CD2-CG2 3.99Å
36I88.3Confident86.5Confident0 Ų023.8 Ų23.80%012%0.117CC..THydrogen-bonded Turntrans-63.9-18.9179.8-165.6156.7000113.9A9 P26 P34 Y38 P39 L40 V53 L63 F67A9-I36 HydrophobicContact CB-CD1 4.15Å; P26-I36 HydrophobicContact CB-CB 4.27Å; P26-I36 HydrophobicContact CB-CD1 4.33Å; P26-I36 WeakPolarHBondContact O-CG2 3.47Å; P26-I36 PolarHBondContact O-N 3.12Å; P34-I36 VanDerWaalsContact C-N 3.26Å; P34-I36 HydrophobicContact CB-CG2 4.4Å; P34-I36 PolarHBondContact O-N 2.99Å; I36-Y38 VanDerWaalsContact C-N 3.29Å; I36-Y38 PolarHBondContact O-N 2.86Å; I36-P39 WeakPolarHBondContact O-CD 3.46Å; I36-L40 HydrophobicContact CG1-CD1 3.97Å; I36-L40 HydrophobicContact CG1-CG 4.32Å; I36-L40 WeakPolarHBondContact O-CD1 3.32Å; I36-L40 VanDerWaalsContact O-CG 3.25Å; I36-L40 WeakPolarHBondContact O-CG 3.42Å; I36-L40 PolarHBondContact O-N 3.13Å; I36-V53 HydrophobicContact CD1-CG1 3.93Å; I36-L63 HydrophobicContact CD1-CD1 4.08Å; I36-L63 HydrophobicContact CD1-CD2 4.16Å; I36-L63 HydrophobicContact CG2-CD2 3.69Å; I36-F67 HydrophobicContact CG2-CE1 4.23Å; I36-F67 HydrophobicContact CG2-CE2 4.21Å; I36-F67 HydrophobicContact CG2-CZ 3.51Å
37W87.9Confident86.4Confident35 Ų3526.3 Ų26.313%0.13314%0.143CC..Hα-helixtrans-63.4-35.4176.3179.585.3000112.2K33 P34 L35 L40 N41 F67 M69 L333K33-W37 HydrophobicContact CB-CB 4.41Å; K33-W37 HydrophobicContact CB-CD2 4.22Å; K33-W37 HydrophobicContact CB-CE3 4.09Å; K33-W37 HydrophobicContact CB-CG 4.36Å; K33-W37 HydrophobicContact CD-CD2 3.54Å; K33-W37 HydrophobicContact CD-CE3 3.49Å; K33-W37 VanDerWaalsContact CD-CE3 3.49Å; K33-W37 HydrophobicContact CD-CG 4.29Å; K33-W37 HydrophobicContact CD-CH2 3.6Å; K33-W37 HydrophobicContact CD-CZ2 3.65Å; K33-W37 HydrophobicContact CD-CZ3 3.52Å; K33-W37 HydrophobicContact CG-CD2 4.46Å; K33-W37 HydrophobicContact CG-CE3 4.43Å; P34-W37 HydrophobicContact CG-CB 4.19Å; P34-W37 WeakPolarHBondContact O-CB 3.3Å; P34-W37 PolarHBondContact O-N 3.3Å; L35-W37 PolarHBondContact O-N 2.95Å; L35-W37 VanDerWaalsContact O-N 3.14Å; W37-L40 PolarHBondContact O-N 3.38Å; W37-N41 HydrophobicContact CD2-CB 4.22Å; W37-N41 HydrophobicContact CE3-CB 4.48Å; W37-N41 HydrophobicContact CH2-CB 4.36Å; W37-N41 WeakPolarHBondContact CH2-ND2 3.43Å; W37-N41 HydrophobicContact CZ2-CB 4.08Å; W37-N41 WeakPolarHBondContact O-CB 3.4Å; W37-N41 PolarHBondContact O-N 2.89Å; W37-F67 HydrophobicContact CB-CE1 4.03Å; W37-M69 HydrophobicContact CG-CE 4.34Å; W37-L333 HydrophobicContact CZ3-CD1 4.49Å
38Y88.1Confident86.4Confident10 Ų1026.7 Ų26.74%0.03914%0.144CC..Hα-helixtrans-66.2-50.9-174.9-64.4-90.4000112.9V30 K33 L35 I36 L40 N41 L42 I109 V326 L333V30-Y38 HydrophobicContact CB-CE2 4.04Å; V30-Y38 HydrophobicContact CG1-CE2 4.39Å; V30-Y38 PolarHBondContact O-OH 3.12Å; K33-Y38 HydrophobicContact CB-CE2 4.49Å; L35-Y38 WeakPolarHBondContact O-CD2 3.35Å; L35-Y38 PolarHBondContact O-N 3.17Å; I36-Y38 VanDerWaalsContact C-N 3.29Å; I36-Y38 PolarHBondContact O-N 2.86Å; Y38-L40 VanDerWaalsContact C-N 3.34Å; Y38-L40 PolarHBondContact O-N 3Å; Y38-N41 PolarHBondContact O-N 2.87Å; Y38-L42 WeakPolarHBondContact O-CB 3.31Å; Y38-L42 PolarHBondContact O-N 2.86Å; Y38-I109 HydrophobicContact CD1-CG1 4.47Å; Y38-I109 HydrophobicContact CD1-CG2 3.97Å; Y38-I109 HydrophobicContact CD2-CD1 4.48Å; Y38-I109 HydrophobicContact CD2-CG1 4.04Å; Y38-I109 HydrophobicContact CE1-CG2 4.26Å; Y38-I109 HydrophobicContact CE2-CD1 4.5Å; Y38-I109 HydrophobicContact CG-CG1 4.03Å; Y38-I109 HydrophobicContact CG-CG2 4.35Å; Y38-V326 HydrophobicContact CE1-CG1 4.46Å; Y38-V326 HydrophobicContact CE1-CG2 4.5Å; Y38-V326 WeakPolarHBondContact OH-CG1 3.25Å; Y38-L333 HydrophobicContact CD1-CD1 4.35Å; Y38-L333 HydrophobicContact CE1-CD1 4.35Å
39P89.4Confident86.2Confident1 Ų134.1 Ų34.11%0.00618%0.179CC..Hα-helixtrans-61.8-39174.8-23.633.7000113.2L35 I36 L42 L43 L104 S105 L108L35-P39 VanDerWaalsContact O-CD 3.27Å; L35-P39 WeakPolarHBondContact O-CD 3.43Å; I36-P39 WeakPolarHBondContact O-CD 3.46Å; P39-L42 WeakPolarHBondContact O-CB 3.48Å; P39-L42 PolarHBondContact O-N 3.48Å; P39-L43 WeakPolarHBondContact O-CG 3.41Å; P39-L43 PolarHBondContact O-N 2.96Å; P39-L104 HydrophobicContact CB-CD2 4.31Å; P39-S105 VanDerWaalsContact CG-O 3.27Å; P39-S105 WeakPolarHBondContact CG-O 3.34Å; P39-L108 WeakPolarHBondContact CD-O 3.45Å; P39-L108 HydrophobicContact CG-CB 4.47Å; P39-L108 WeakPolarHBondContact CG-O 3.39Å
40L88.2Confident86.2Confident7 Ų737 Ų374%0.03719%0.19CC..Hα-helixtrans-66.9-46.2180-66.3174.3000111.7V7 I36 W37 Y38 L42 L43 E44 V51 V53 M69 M71V7-L40 HydrophobicContact CG2-CD2 4.23Å; I36-L40 HydrophobicContact CG1-CD1 3.97Å; I36-L40 HydrophobicContact CG1-CG 4.32Å; I36-L40 WeakPolarHBondContact O-CD1 3.32Å; I36-L40 VanDerWaalsContact O-CG 3.25Å; I36-L40 WeakPolarHBondContact O-CG 3.42Å; I36-L40 PolarHBondContact O-N 3.13Å; W37-L40 PolarHBondContact O-N 3.38Å; Y38-L40 VanDerWaalsContact C-N 3.34Å; Y38-L40 PolarHBondContact O-N 3Å; L40-L42 VanDerWaalsContact C-N 3.26Å; L40-L42 PolarHBondContact O-N 3.4Å; L40-L43 PolarHBondContact O-N 2.93Å; L40-L43 VanDerWaalsContact O-N 3.16Å; L40-E44 PolarHBondContact O-N 3.41Å; L40-V51 HydrophobicContact CD2-CG1 4.14Å; L40-V53 HydrophobicContact CD2-CG2 4.01Å; L40-M69 HydrophobicContact CB-CE 3.67Å; L40-M69 HydrophobicContact CB-SD 3.86Å; L40-M69 HydrophobicContact CD1-CE 3.89Å; L40-M69 HydrophobicContact CD1-SD 4.17Å; L40-M69 HydrophobicContact CG-CE 4.46Å; L40-M71 HydrophobicContact CB-CE 4.46Å; L40-M71 HydrophobicContact CB-SD 4.27Å; L40-M71 HydrophobicContact CD2-CE 3.59Å; L40-M71 HydrophobicContact CD2-SD 4.46Å
41N86.9Confident86.3Confident17 Ų1737 Ų379%0.09119%0.19CC..Hα-helixtrans-61.6-35175171.449.2000111.8W37 Y38 R45W37-N41 HydrophobicContact CD2-CB 4.22Å; W37-N41 HydrophobicContact CE3-CB 4.48Å; W37-N41 HydrophobicContact CH2-CB 4.36Å; W37-N41 WeakPolarHBondContact CH2-ND2 3.43Å; W37-N41 HydrophobicContact CZ2-CB 4.08Å; W37-N41 WeakPolarHBondContact O-CB 3.4Å; W37-N41 PolarHBondContact O-N 2.89Å; Y38-N41 PolarHBondContact O-N 2.87Å; N41-R45 PolarHBondContact ND2-NE 3.3Å; N41-R45 PolarHBondContact ND2-NH2 2.85Å; N41-R45 WeakPolarHBondContact O-CD 3.4Å; N41-R45 WeakPolarHBondContact O-CG 3.41Å; N41-R45 PolarHBondContact O-N 3.04Å; N41-R45 VanDerWaalsContact O-N 3.08Å; N41-R45 PolarHBondContact OD1-NE 3.26Å; N41-R45 PolarHBondContact OD1-NH2 2.66Å; N41-R45 VanDerWaalsContact OD1-NH2 3.11Å
42L87Confident86.7Confident21 Ų2137 Ų3711%0.1119%0.19CC..Hα-helixtrans-63.3-47.4173.4-175.5157.2000111.1Y38 P39 L40 E44 R45 V46 L104 T110 L114Y38-L42 WeakPolarHBondContact O-CB 3.31Å; Y38-L42 PolarHBondContact O-N 2.86Å; P39-L42 WeakPolarHBondContact O-CB 3.48Å; P39-L42 PolarHBondContact O-N 3.48Å; L40-L42 VanDerWaalsContact C-N 3.26Å; L40-L42 PolarHBondContact O-N 3.4Å; L42-E44 PolarHBondContact O-N 3.15Å; L42-R45 PolarHBondContact O-N 3.18Å; L42-V46 HydrophobicContact CD2-CG2 4.33Å; L42-V46 WeakPolarHBondContact O-CG2 3.43Å; L42-V46 PolarHBondContact O-N 3.21Å; L42-L104 HydrophobicContact CD2-CD2 4.46Å; L42-T110 HydrophobicContact CD1-CG2 4.32Å; L42-L114 HydrophobicContact CD2-CB 4.09Å; L42-L114 HydrophobicContact CD2-CD1 3.47Å; L42-L114 VanDerWaalsContact CD2-CD1 3.47Å; L42-L114 HydrophobicContact CD2-CG 4.39Å
43L88.1Confident87Confident0 Ų034.8 Ų34.80%018%0.178CC..Hα-helixtrans-63.4-40.8178-69168.4000112.1A5 V7 P39 L40 R45 V46 G47 F48 V51 L102 L104A5-L43 HydrophobicContact CB-CD1 3.88Å; A5-L43 HydrophobicContact CB-CD2 3.58Å; A5-L43 HydrophobicContact CB-CG 4.36Å; V7-L43 HydrophobicContact CG2-CD1 3.72Å; P39-L43 WeakPolarHBondContact O-CG 3.41Å; P39-L43 PolarHBondContact O-N 2.96Å; L40-L43 PolarHBondContact O-N 2.93Å; L40-L43 VanDerWaalsContact O-N 3.16Å; L43-R45 PolarHBondContact O-N 3.42Å; L43-V46 PolarHBondContact O-N 3.33Å; L43-G47 PolarHBondContact O-N 2.96Å; L43-G47 VanDerWaalsContact O-N 3.16Å; L43-F48 HydrophobicContact CB-CB 4.22Å; L43-F48 HydrophobicContact CB-CD2 4.19Å; L43-F48 HydrophobicContact CB-CG 4.47Å; L43-F48 HydrophobicContact CD2-CD2 3.58Å; L43-F48 HydrophobicContact CD2-CE2 3.77Å; L43-F48 HydrophobicContact CD2-CG 4.1Å; L43-F48 HydrophobicContact CD2-CZ 4.45Å; L43-F48 PolarHBondContact O-N 2.96Å; L43-V51 HydrophobicContact CB-CG2 4.17Å; L43-V51 HydrophobicContact CD1-CB 4.44Å; L43-V51 HydrophobicContact CD1-CG1 3.67Å; L43-V51 HydrophobicContact CD1-CG2 3.84Å; L43-L102 HydrophobicContact CD2-CD2 3.7Å; L43-L104 HydrophobicContact CD1-CD1 4.31Å; L43-L104 HydrophobicContact CD2-CD1 4Å; L43-L104 HydrophobicContact CG-CD1 4.5Å
44E85.8Confident87.2Confident64 Ų6433.5 Ų33.530%0.29917%0.172SC..Hα-helixtrans-61.2-42.5176.7-171.3176.7179.400111.5L40 L42 V46 G47 M71L40-E44 PolarHBondContact O-N 3.41Å; L42-E44 PolarHBondContact O-N 3.15Å; E44-V46 VanDerWaalsContact C-N 3.33Å; E44-V46 PolarHBondContact O-N 2.99Å; E44-G47 PolarHBondContact O-N 3.22Å; E44-G47 VanDerWaalsContact O-N 3.1Å; E44-M71 HydrophobicContact CB-SD 4.13Å
45R84.3Confident87.1Confident121 Ų12132.4 Ų32.446%0.45717%0.165SC..Hα-helixtrans-65.1-34.7177.3-72.5167.2-166-123.2-10.5113.7N41 L42 L43 G47 L333N41-R45 PolarHBondContact ND2-NE 3.3Å; N41-R45 PolarHBondContact ND2-NH2 2.85Å; N41-R45 WeakPolarHBondContact O-CD 3.4Å; N41-R45 WeakPolarHBondContact O-CG 3.41Å; N41-R45 PolarHBondContact O-N 3.04Å; N41-R45 VanDerWaalsContact O-N 3.08Å; N41-R45 PolarHBondContact OD1-NE 3.26Å; N41-R45 PolarHBondContact OD1-NH2 2.66Å; N41-R45 VanDerWaalsContact OD1-NH2 3.11Å; L42-R45 PolarHBondContact O-N 3.18Å; L43-R45 PolarHBondContact O-N 3.42Å; R45-G47 PolarHBondContact O-N 2.96Å; R45-L333 PolarHBondContact NH2-O 3.46Å
46V84.8Confident86.8Confident74 Ų7433.8 Ų33.845%0.44817%0.174SC..Hα-helixtrans-75.4-15.4177.4178.10000111L42 L43 E44 F48 L114L42-V46 HydrophobicContact CD2-CG2 4.33Å; L42-V46 WeakPolarHBondContact O-CG2 3.43Å; L42-V46 PolarHBondContact O-N 3.21Å; L43-V46 PolarHBondContact O-N 3.33Å; E44-V46 VanDerWaalsContact C-N 3.33Å; E44-V46 PolarHBondContact O-N 2.99Å; V46-F48 HydrophobicContact CB-CD2 4.06Å; V46-F48 HydrophobicContact CB-CE2 4.14Å; V46-F48 HydrophobicContact CG1-CD2 4.03Å; V46-F48 HydrophobicContact CG1-CE2 3.69Å; V46-L114 HydrophobicContact CG1-CD2 4.22Å; V46-L114 HydrophobicContact CG2-CB 3.98Å; V46-L114 HydrophobicContact CG2-CD2 4.47Å
47G84.2Confident86.3Confident55 Ų5541.3 Ų41.357%0.56720%0.202SC*.THydrogen-bonded Turntrans95.724.9175.900000114.1L43 E44 R45 E49L43-G47 PolarHBondContact O-N 2.96Å; L43-G47 VanDerWaalsContact O-N 3.16Å; E44-G47 PolarHBondContact O-N 3.22Å; E44-G47 VanDerWaalsContact O-N 3.1Å; R45-G47 PolarHBondContact O-N 2.96Å; G47-E49 PolarHBondContact O-N 2.99Å
48F86.1Confident85.7Confident34 Ų3444.2 Ų44.215%0.14922%0.22CC..  trans-72122.6171.3-75.4-88.5000110.7F3 A5 L43 V46 V51 L102F3-F48 HydrophobicContact CB-CE1 4.02Å; F3-F48 HydrophobicContact CB-CZ 4.26Å; A5-F48 HydrophobicContact CB-CD1 4Å; A5-F48 HydrophobicContact CB-CE1 4.09Å; A5-F48 HydrophobicContact CB-CG 4.42Å; L43-F48 HydrophobicContact CB-CB 4.22Å; L43-F48 HydrophobicContact CB-CD2 4.19Å; L43-F48 HydrophobicContact CB-CG 4.47Å; L43-F48 HydrophobicContact CD2-CD2 3.58Å; L43-F48 HydrophobicContact CD2-CE2 3.77Å; L43-F48 HydrophobicContact CD2-CG 4.1Å; L43-F48 HydrophobicContact CD2-CZ 4.45Å; L43-F48 PolarHBondContact O-N 2.96Å; V46-F48 HydrophobicContact CB-CD2 4.06Å; V46-F48 HydrophobicContact CB-CE2 4.14Å; V46-F48 HydrophobicContact CG1-CD2 4.03Å; V46-F48 HydrophobicContact CG1-CE2 3.69Å; F48-V51 HydrophobicContact CB-CG2 4.17Å; F48-L102 HydrophobicContact CE2-CD2 4.07Å; F48-L102 HydrophobicContact CZ-CD2 3.81Å
49E83.2Confident85.2Confident156 Ų15643.8 Ų43.873%0.72922%0.219SC*.SBendtrans-83.8-34.3178.5-61.6-177.6170.100112.7G47 K72G47-E49 PolarHBondContact O-N 2.99Å; E49-K72 PolarHBondContact O-N 3.41Å
50E85.1Confident84.6Confident79 Ų7946.9 Ų46.937%0.36923%0.233SC..EExtended strand (participates in β ladder)trans-125.1132-177.8-171.3-177.9174.900109.7M1M1-E50 HydrophobicContact CE-CB 4.2Å; M1-E50 WeakPolarHBondContact CE-OE2 3.09Å
51V89.1Confident84.2Confident0 Ų053.5 Ų53.50%026%0.262CS..EExtended strand (participates in β ladder)trans-135.6132.1178.51780000108.7A5 V7 L40 L43 F48 V53 M71 P73 D74A5-V51 HydrophobicContact CB-CG1 4.38Å; A5-V51 HydrophobicContact CB-CG2 4.32Å; V7-V51 HydrophobicContact CG2-CG1 3.79Å; L40-V51 HydrophobicContact CD2-CG1 4.14Å; L43-V51 HydrophobicContact CB-CG2 4.17Å; L43-V51 HydrophobicContact CD1-CB 4.44Å; L43-V51 HydrophobicContact CD1-CG1 3.67Å; L43-V51 HydrophobicContact CD1-CG2 3.84Å; F48-V51 HydrophobicContact CB-CG2 4.17Å; V51-V53 HydrophobicContact CG1-CG2 4.26Å; V51-M71 HydrophobicContact CB-CE 3.58Å; V51-M71 HydrophobicContact CG1-CE 4.24Å; V51-M71 HydrophobicContact CG2-CE 3.43Å; V51-M71 VanDerWaalsContact CG2-CE 3.43Å; V51-M71 HydrophobicContact CG2-SD 4.46Å; V51-P73 CarbonylContact O-C 3.55Å; V51-P73 WeakPolarHBondContact O-CA 3.26Å; V51-D74 PolarHBondContact O-N 3.36Å
52I90.6Very high83.6Confident4 Ų453.9 Ų53.92%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-91.8119.9175.5-59172.5000107.9A5 V6 V7 V54 D74 V76 I93 K96 L97A5-I52 PolarHBondContact O-N 3.23Å; V6-I52 CarbonylContact C-O 3.33Å; V6-I52 WeakPolarHBondContact CA-O 3.35Å; V6-I52 HydrophobicContact CG2-CB 4.4Å; V7-I52 PolarHBondContact N-O 3.39Å; I52-V54 HydrophobicContact CG2-CG2 4.38Å; I52-D74 WeakPolarHBondContact CA-O 3.39Å; I52-V76 HydrophobicContact CG2-CG2 4.06Å; I52-I93 HydrophobicContact CG2-CD1 4.28Å; I52-I93 HydrophobicContact CG2-CG2 4.36Å; I52-K96 HydrophobicContact CD1-CB 4.27Å; I52-L97 HydrophobicContact CD1-CD2 4.1Å
53V89.7Confident83Confident2 Ų253.4 Ų53.41%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-107.6116.4176.9-177.90000108.6V7 I36 L40 V51 L63 P73 D74 V76V7-V53 HydrophobicContact CB-CG2 4.36Å; I36-V53 HydrophobicContact CD1-CG1 3.93Å; L40-V53 HydrophobicContact CD2-CG2 4.01Å; V51-V53 HydrophobicContact CG1-CG2 4.26Å; V53-L63 HydrophobicContact CG1-CD1 4.36Å; V53-P73 HydrophobicContact CG2-CB 4.11Å; V53-D74 PolarHBondContact N-O 2.92Å; V53-V76 PolarHBondContact O-N 2.97Å
54V88.7Confident82.2Confident0 Ų057.6 Ų57.60%029%0.293CS..EExtended strand (participates in β ladder)trans-95.3114.7178.2-172.50000109V6 V7 M8 A9 V10 I52 V76 I78 I93V6-V54 HydrophobicContact CG1-CG2 3.97Å; V7-V54 PolarHBondContact O-N 3.42Å; M8-V54 HydrophobicContact SD-CB 4.06Å; M8-V54 HydrophobicContact SD-CG2 4.07Å; A9-V54 WeakPolarHBondContact CA-O 3.5Å; A9-V54 VanDerWaalsContact CB-O 3.26Å; A9-V54 WeakPolarHBondContact CB-O 3.3Å; A9-V54 PolarHBondContact N-O 3.13Å; V10-V54 HydrophobicContact CG2-CB 4.31Å; V10-V54 HydrophobicContact CG2-CG1 3.64Å; I52-V54 HydrophobicContact CG2-CG2 4.38Å; V54-V76 WeakPolarHBondContact CA-O 3.48Å; V54-I78 HydrophobicContact CG1-CD1 3.16Å; V54-I78 HydrophobicContact CG1-CG1 3.67Å; V54-I93 HydrophobicContact CG2-CD1 4.08Å; V54-I93 HydrophobicContact CG2-CG2 3.79Å
55T86.3Confident81.4Confident0 Ų058.4 Ų58.40%031%0.311CS..EExtended strand (participates in β ladder)trans-146.3169-169.4-1670000113V59 Q60 I75 V76 C77 I78T55-V59 WeakPolarHBondContact OG1-CB 3.43Å; T55-V59 WeakPolarHBondContact OG1-CG1 3.32Å; T55-Q60 HydrophobicContact CG2-CB 4.26Å; T55-I75 HydrophobicContact CG2-CG2 3.39Å; T55-V76 PolarHBondContact N-O 2.74Å; T55-C77 VanDerWaalsContact O-CA 3.27Å; T55-C77 WeakPolarHBondContact O-CA 3.02Å; T55-I78 PolarHBondContact O-N 3.02Å
56T81.6Confident80.3Confident30 Ų3058.8 Ų58.818%0.18432%0.318CS..  trans-82.9163.6168.963.80000111.5D58 V59 Q60 D80T56-D58 VanDerWaalsContact C-N 3.31Å; T56-D58 PolarHBondContact O-N 3.28Å; T56-V59 PolarHBondContact O-N 2.97Å; T56-Q60 PolarHBondContact O-N 2.84Å; T56-Q60 VanDerWaalsContact O-N 3.15Å; T56-D80 WeakPolarHBondContact CB-OD1 3.19Å; T56-D80 WeakPolarHBondContact CG2-OD1 3.42Å
57R78.2Confident79.3Confident158 Ų15857.3 Ų57.360%0.59631%0.305SS*.Hα-helixtrans-63.8-34.1-176.7-71.7-176.1174.2-177.50.9113.4Q60 K61 C77R57-Q60 WeakPolarHBondContact O-CB 3.46Å; R57-Q60 PolarHBondContact O-N 3.2Å; R57-K61 PolarHBondContact O-N 2.85Å; R57-C77 HydrophobicContact CG-CB 4.34Å
58D74.8Confident78.3Confident96 Ų9664.7 Ų64.751%0.51332%0.322SS..Hα-helixtrans-69.9-40.9-178.4-67.4-28.7000111.9T56 Q60 K61T56-D58 VanDerWaalsContact C-N 3.31Å; T56-D58 PolarHBondContact O-N 3.28Å; D58-Q60 VanDerWaalsContact C-N 3.33Å; D58-Q60 PolarHBondContact O-N 2.96Å; D58-K61 PolarHBondContact O-N 2.88Å
59V76.5Confident77.2Confident1 Ų165.1 Ų65.11%0.00633%0.325CS..Hα-helixtrans-67.9-35175.7176.10000111.2P24 P26 L27 T55 T56 K61 A62 L63P24-V59 HydrophobicContact CB-CG2 3.36Å; P24-V59 HydrophobicContact CG-CG2 3.8Å; P26-V59 HydrophobicContact CB-CG1 4.16Å; P26-V59 HydrophobicContact CG-CG1 4.36Å; P26-V59 HydrophobicContact CG-CG2 4.23Å; L27-V59 HydrophobicContact CD1-CG2 4.4Å; L27-V59 HydrophobicContact CG-CG1 4.35Å; T55-V59 WeakPolarHBondContact OG1-CB 3.43Å; T55-V59 WeakPolarHBondContact OG1-CG1 3.32Å; T56-V59 PolarHBondContact O-N 2.97Å; V59-K61 VanDerWaalsContact C-N 3.34Å; V59-K61 PolarHBondContact O-N 2.83Å; V59-A62 PolarHBondContact O-N 3.16Å; V59-L63 HydrophobicContact CG1-CD1 3.76Å; V59-L63 HydrophobicContact CG1-CG 3.94Å; V59-L63 WeakPolarHBondContact O-CB 3.42Å; V59-L63 VanDerWaalsContact O-CG 3.3Å; V59-L63 WeakPolarHBondContact O-CG 3.42Å; V59-L63 PolarHBondContact O-N 3.01Å
60Q77.8Confident76.3Confident66 Ų6666.8 Ų66.831%0.30833%0.329SS..Hα-helixtrans-57.6-45.1176.3-177.7-172.631.100112.1T55 T56 R57 D58 A62 L63 C64 I75 C77T55-Q60 HydrophobicContact CG2-CB 4.26Å; T56-Q60 PolarHBondContact O-N 2.84Å; T56-Q60 VanDerWaalsContact O-N 3.15Å; R57-Q60 WeakPolarHBondContact O-CB 3.46Å; R57-Q60 PolarHBondContact O-N 3.2Å; D58-Q60 VanDerWaalsContact C-N 3.33Å; D58-Q60 PolarHBondContact O-N 2.96Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 2.9Å; Q60-L63 PolarHBondContact O-N 3.27Å; Q60-C64 WeakPolarHBondContact O-CB 3.41Å; Q60-C64 PolarHBondContact O-N 3.19Å; Q60-C64 PolarHBondContact O-SG 2.99Å; Q60-I75 HydrophobicContact CB-CG2 4.38Å; Q60-I75 HydrophobicContact CG-CG2 4Å; Q60-C77 PolarHBondContact OE1-SG 2.85Å
61K78.4Confident75.6Confident146 Ų14663.6 Ų63.664%0.63532%0.315SS*.Hα-helixtrans-61.1-44-179.3-67.8171.8-173.1160.80111.5R57 D58 V59 A65R57-K61 PolarHBondContact O-N 2.85Å; D58-K61 PolarHBondContact O-N 2.88Å; V59-K61 VanDerWaalsContact C-N 3.34Å; V59-K61 PolarHBondContact O-N 2.83Å; K61-A65 WeakPolarHBondContact O-CB 3.44Å; K61-A65 PolarHBondContact O-N 2.87Å
62A75.9Confident74.7Confident25 Ų2571.9 Ų71.921%0.20735%0.351CS..Hα-helixtrans-67.5-43.6177.300000111.8L27 V59 Q60 C64 A65 E66L27-A62 HydrophobicContact CD1-CB 3.37Å; L27-A62 HydrophobicContact CD2-CB 4Å; L27-A62 HydrophobicContact CG-CB 4.33Å; V59-A62 PolarHBondContact O-N 3.16Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 2.9Å; A62-C64 PolarHBondContact O-N 3.14Å; A62-A65 PolarHBondContact O-N 2.8Å; A62-A65 VanDerWaalsContact O-N 3.13Å; A62-E66 WeakPolarHBondContact O-CB 3.34Å; A62-E66 PolarHBondContact O-N 2.7Å
63L74.6Confident74Confident10 Ų1074.3 Ų74.35%0.05237%0.367CS..Hα-helixtrans-57.7-47.3176.5-79.2175.6000111.8I36 V53 V59 Q60 A65 F67 I75I36-L63 HydrophobicContact CD1-CD1 4.08Å; I36-L63 HydrophobicContact CD1-CD2 4.16Å; I36-L63 HydrophobicContact CG2-CD2 3.69Å; V53-L63 HydrophobicContact CG1-CD1 4.36Å; V59-L63 HydrophobicContact CG1-CD1 3.76Å; V59-L63 HydrophobicContact CG1-CG 3.94Å; V59-L63 WeakPolarHBondContact O-CB 3.42Å; V59-L63 VanDerWaalsContact O-CG 3.3Å; V59-L63 WeakPolarHBondContact O-CG 3.42Å; V59-L63 PolarHBondContact O-N 3.01Å; Q60-L63 PolarHBondContact O-N 3.27Å; L63-A65 PolarHBondContact O-N 2.9Å; L63-F67 HydrophobicContact CB-CD2 4.42Å; L63-F67 HydrophobicContact CD2-CD2 3.55Å; L63-F67 HydrophobicContact CD2-CE2 3.31Å; L63-F67 HydrophobicContact CD2-CG 4.26Å; L63-F67 HydrophobicContact CD2-CZ 3.82Å; L63-F67 HydrophobicContact CG-CE2 4.47Å; L63-F67 WeakPolarHBondContact O-CB 3.36Å; L63-F67 WeakPolarHBondContact O-CD2 3.49Å; L63-F67 PolarHBondContact O-N 2.73Å; L63-F67 VanDerWaalsContact O-N 3.07Å; L63-I75 HydrophobicContact CB-CD1 4.33Å
64C70.8Confident73.6Confident89 Ų8976.9 Ų76.960%0.60138%0.38SS*.Hα-helixtrans-63.9-29.2178.4-70.30000113Q60 A62Q60-C64 WeakPolarHBondContact O-CB 3.41Å; Q60-C64 PolarHBondContact O-N 3.19Å; Q60-C64 PolarHBondContact O-SG 2.99Å; A62-C64 PolarHBondContact O-N 3.14Å
65A68.3Low73.2Confident81 Ų8178.6 Ų78.667%0.66939%0.389SS*.Hα-helixtrans-83.3-40.4179.900000112.7K61 A62 L63K61-A65 WeakPolarHBondContact O-CB 3.44Å; K61-A65 PolarHBondContact O-N 2.87Å; A62-A65 PolarHBondContact O-N 2.8Å; A62-A65 VanDerWaalsContact O-N 3.13Å; L63-A65 PolarHBondContact O-N 2.9Å
66E61.6Low73Confident129 Ų12979.2 Ų79.260%0.60339%0.393SS*.Hα-helixtrans-91.4-26.2-170.9-69.3-170.2165.500114A62A62-E66 WeakPolarHBondContact O-CB 3.34Å; A62-E66 PolarHBondContact O-N 2.7Å
67F64.7Low72.9Confident42 Ų4279.1 Ų79.118%0.18439%0.393CS..  trans-107.298.2-167.6-67.1-99.1000113.1P34 I36 W37 L63 M69P34-F67 HydrophobicContact CB-CZ 4.1Å; P34-F67 HydrophobicContact CG-CE1 3.95Å; P34-F67 HydrophobicContact CG-CE2 3.96Å; P34-F67 HydrophobicContact CG-CZ 3.23Å; I36-F67 HydrophobicContact CG2-CE1 4.23Å; I36-F67 HydrophobicContact CG2-CE2 4.21Å; I36-F67 HydrophobicContact CG2-CZ 3.51Å; W37-F67 HydrophobicContact CB-CE1 4.03Å; L63-F67 HydrophobicContact CB-CD2 4.42Å; L63-F67 HydrophobicContact CD2-CD2 3.55Å; L63-F67 HydrophobicContact CD2-CE2 3.31Å; L63-F67 HydrophobicContact CD2-CG 4.26Å; L63-F67 HydrophobicContact CD2-CZ 3.82Å; L63-F67 HydrophobicContact CG-CE2 4.47Å; L63-F67 WeakPolarHBondContact O-CB 3.36Å; L63-F67 WeakPolarHBondContact O-CD2 3.49Å; L63-F67 PolarHBondContact O-N 2.73Å; L63-F67 VanDerWaalsContact O-N 3.07Å; F67-M69 HydrophobicContact CB-CG 4.46Å; F67-M69 HydrophobicContact CD1-CE 3.53Å; F67-M69 HydrophobicContact CD1-CG 4.37Å; F67-M69 HydrophobicContact CE1-CE 3.85Å; F67-M69 PolarHBondContact O-N 2.71Å
68K61.7Low72.9Confident211 Ų21171.8 Ų71.892%0.91737%0.366SS*.  trans-92.371.3162.5-67.3179.8-177.91750109.6
69M64.1Low72.7Confident42 Ų4270.2 Ų70.221%0.20736%0.361CS..  trans-85.3158.4174.9-69.1-161.4177.500111.9W37 L40 F67 M71W37-M69 HydrophobicContact CG-CE 4.34Å; L40-M69 HydrophobicContact CB-CE 3.67Å; L40-M69 HydrophobicContact CB-SD 3.86Å; L40-M69 HydrophobicContact CD1-CE 3.89Å; L40-M69 HydrophobicContact CD1-SD 4.17Å; L40-M69 HydrophobicContact CG-CE 4.46Å; F67-M69 HydrophobicContact CB-CG 4.46Å; F67-M69 HydrophobicContact CD1-CE 3.53Å; F67-M69 HydrophobicContact CD1-CG 4.37Å; F67-M69 HydrophobicContact CE1-CE 3.85Å; F67-M69 PolarHBondContact O-N 2.71Å; M69-M71 HydrophobicContact CB-CG 3.87Å; M69-M71 HydrophobicContact SD-CG 4.01Å; M69-M71 HydrophobicContact SD-SD 3.99Å
70K63Low72Confident191 Ų19174.4 Ų74.483%0.8338%0.383SS*.SBendtrans-75.6-32.6173.6-64.5175.9-179.51720111.9
71M70.1Confident70.9Confident13 Ų1379.1 Ų79.16%0.06441%0.41CS..SBendtrans-71.2149.5172.655.6173.5-84.300111.3L40 E44 V51 M69 P73L40-M71 HydrophobicContact CB-CE 4.46Å; L40-M71 HydrophobicContact CB-SD 4.27Å; L40-M71 HydrophobicContact CD2-CE 3.59Å; L40-M71 HydrophobicContact CD2-SD 4.46Å; E44-M71 HydrophobicContact CB-SD 4.13Å; V51-M71 HydrophobicContact CB-CE 3.58Å; V51-M71 HydrophobicContact CG1-CE 4.24Å; V51-M71 HydrophobicContact CG2-CE 3.43Å; V51-M71 VanDerWaalsContact CG2-CE 3.43Å; V51-M71 HydrophobicContact CG2-SD 4.46Å; M69-M71 HydrophobicContact CB-CG 3.87Å; M69-M71 HydrophobicContact SD-CG 4.01Å; M69-M71 HydrophobicContact SD-SD 3.99Å; M71-P73 HydrophobicContact CE-CB 4.47Å; M71-P73 WeakPolarHBondContact O-CD 3.33Å
72K70.6Confident69.8Low174 Ų17474.8 Ų74.876%0.75740%0.402SS*.EExtended strand (participates in β ladder)trans-97.199.6175.9-68.7-179.7-178.1175.80109.4E49 D74E49-K72 PolarHBondContact O-N 3.41Å; K72-D74 PolarHBondContact O-N 3.04Å
73P76.5Confident69.2Low54 Ų5482 Ų8235%0.35144%0.437SS..EExtended strand (participates in β ladder)trans-72.6124.5171.329.5-33.5000109.9V51 V53 M71 I75V51-P73 CarbonylContact O-C 3.55Å; V51-P73 WeakPolarHBondContact O-CA 3.26Å; V53-P73 HydrophobicContact CG2-CB 4.11Å; M71-P73 HydrophobicContact CE-CB 4.47Å; M71-P73 WeakPolarHBondContact O-CD 3.33Å; P73-I75 HydrophobicContact CB-CG1 4.19Å; P73-I75 HydrophobicContact CG-CG1 4.46Å; P73-I75 PolarHBondContact O-N 3.47Å
74D81.1Confident69.1Low56 Ų5683.9 Ų83.930%0.29945%0.446SS..EExtended strand (participates in β ladder)trans-84.1101.4164.2-175.416.1000107.8V51 I52 V53 K72 K96V51-D74 PolarHBondContact O-N 3.36Å; I52-D74 WeakPolarHBondContact CA-O 3.39Å; V53-D74 PolarHBondContact N-O 2.92Å; K72-D74 PolarHBondContact O-N 3.04Å; D74-K96 IonicContact OD1-NZ 2.63Å; D74-K96 PolarHBondContact OD1-NZ 2.9Å; D74-K96 IonicContact OD2-NZ 3.85Å; D74-K96 PolarHBondContact OD2-NZ 2.85Å
75I80.3Confident69.4Low36 Ų3680.6 Ų80.619%0.18543%0.427CS..EExtended strand (participates in β ladder)trans-87.5116-175.7-52.8173.2000108.8T55 Q60 L63 P73T55-I75 HydrophobicContact CG2-CG2 3.39Å; Q60-I75 HydrophobicContact CB-CG2 4.38Å; Q60-I75 HydrophobicContact CG-CG2 4Å; L63-I75 HydrophobicContact CB-CD1 4.33Å; P73-I75 HydrophobicContact CB-CG1 4.19Å; P73-I75 HydrophobicContact CG-CG1 4.46Å; P73-I75 PolarHBondContact O-N 3.47Å
76V83.1Confident70.2Confident13 Ų1378.3 Ų78.38%0.07941%0.405CS..EExtended strand (participates in β ladder)trans-104.8118.9175.6-178.70000109.2I52 V53 V54 T55 Y92 I93 K96I52-V76 HydrophobicContact CG2-CG2 4.06Å; V53-V76 PolarHBondContact O-N 2.97Å; V54-V76 WeakPolarHBondContact CA-O 3.48Å; T55-V76 PolarHBondContact N-O 2.74Å; V76-Y92 HydrophobicContact CG1-CD1 3.76Å; V76-Y92 HydrophobicContact CG1-CE1 3.49Å; V76-Y92 VanDerWaalsContact CG1-CE1 3.49Å; V76-I93 HydrophobicContact CB-CG2 4.27Å; V76-I93 HydrophobicContact CG1-CG2 4.02Å; V76-I93 HydrophobicContact CG2-CG2 4.41Å; V76-K96 HydrophobicContact CG2-CD 4.2Å; V76-K96 VanDerWaalsContact CG2-NZ 3.25Å
77C79Confident71.4Confident28 Ų2872.1 Ų72.119%0.18938%0.376CS..EExtended strand (participates in β ladder)trans-94.4123.8179-66.90000111.6T55 R57 Q60T55-C77 VanDerWaalsContact O-CA 3.27Å; T55-C77 WeakPolarHBondContact O-CA 3.02Å; R57-C77 HydrophobicContact CG-CB 4.34Å; Q60-C77 PolarHBondContact OE1-SG 2.85Å
78I77.9Confident72.5Confident5 Ų572 Ų723%0.02638%0.377CS..PPolyproline II helixtrans-94.5140.8172.5-62.2-170.8000108.1V10 V54 T55 M84 Y92V10-I78 HydrophobicContact CG2-CD1 4.41Å; V54-I78 HydrophobicContact CG1-CD1 3.16Å; V54-I78 HydrophobicContact CG1-CG1 3.67Å; T55-I78 PolarHBondContact O-N 3.02Å; I78-M84 HydrophobicContact CG2-CE 3.13Å; I78-M84 HydrophobicContact CG2-SD 3.51Å; I78-M84 VanDerWaalsContact CG2-SD 3.51Å; I78-Y92 HydrophobicContact CD1-CD1 4.23Å; I78-Y92 HydrophobicContact CD1-CG 4.32Å; I78-Y92 HydrophobicContact CG1-CD1 3.86Å; I78-Y92 HydrophobicContact CG1-CE1 4.25Å; I78-Y92 HydrophobicContact CG1-CG 4.26Å
79P70.1Confident73.7Confident62 Ų6262 Ų6240%0.40333%0.334SS..PPolyproline II helixtrans-67142.5173.927.3-33.5000111.5D81 M84P79-D81 VanDerWaalsContact C-N 3.26Å; P79-D81 PolarHBondContact O-N 3.04Å; P79-M84 HydrophobicContact CG-CE 4.01Å; P79-M84 VanDerWaalsContact O-CE 3.31Å; P79-M84 WeakPolarHBondContact O-CE 3.23Å
80D62.1Low74.8Confident89 Ų8960 Ų6048%0.47632%0.324SS..THydrogen-bonded Turntrans-75.9-9.5-173.6-57.8-50.2000113.9T56 A82T56-D80 WeakPolarHBondContact CB-OD1 3.19Å; T56-D80 WeakPolarHBondContact CG2-OD1 3.42Å; D80-A82 VanDerWaalsContact C-N 3.25Å; D80-A82 PolarHBondContact O-N 3.24Å; D80-A82 VanDerWaalsContact O-N 3.15Å
81D54.5Low76Confident165 Ų16552.5 Ų52.588%0.88229%0.29SS*.THydrogen-bonded Turntrans-77.34.3-168.9-68.8-34.2000115.4P79P79-D81 VanDerWaalsContact C-N 3.26Å; P79-D81 PolarHBondContact O-N 3.04Å
82A54.8Low76.9Confident55 Ų5557.7 Ų57.746%0.45531%0.31SS..SBendtrans-139.3135.8174.700000110.8D80 M84D80-A82 VanDerWaalsContact C-N 3.25Å; D80-A82 PolarHBondContact O-N 3.24Å; D80-A82 VanDerWaalsContact O-N 3.15Å; A82-M84 HydrophobicContact CB-CE 4Å; A82-M84 HydrophobicContact CB-CG 3.96Å; A82-M84 PolarHBondContact O-N 2.91Å
83D64.2Low77.8Confident177 Ų17749.5 Ų49.595%0.94728%0.275SS*.  trans-61.267.3167.4-73.3-45.2000110.3G85D83-G85 PolarHBondContact O-N 2.75Å
84M72.5Confident78.4Confident50 Ų5050.3 Ų50.325%0.24627%0.271CS..  trans-77.5123.4-177.7-78.4-172.2-106.800109I78 P79 A82 D88I78-M84 HydrophobicContact CG2-CE 3.13Å; I78-M84 HydrophobicContact CG2-SD 3.51Å; I78-M84 VanDerWaalsContact CG2-SD 3.51Å; P79-M84 HydrophobicContact CG-CE 4.01Å; P79-M84 VanDerWaalsContact O-CE 3.31Å; P79-M84 WeakPolarHBondContact O-CE 3.23Å; A82-M84 HydrophobicContact CB-CE 4Å; A82-M84 HydrophobicContact CB-CG 3.96Å; A82-M84 PolarHBondContact O-N 2.91Å; M84-D88 HydrophobicContact CB-CB 3.99Å; M84-D88 HydrophobicContact CG-CB 4.17Å
85G77.8Confident78.8Confident20 Ų2052.6 Ų52.621%0.20629%0.289CS..  trans-71.7177.3175.400000112.7D83 A87 D88 S89 T222D83-G85 PolarHBondContact O-N 2.75Å; G85-A87 VanDerWaalsContact C-N 3.27Å; G85-A87 PolarHBondContact O-N 3.43Å; G85-D88 PolarHBondContact N-OD2 3.13Å; G85-D88 PolarHBondContact O-N 3.4Å; G85-S89 PolarHBondContact O-N 3.24Å; G85-S89 PolarHBondContact O-OG 2.96Å; G85-T222 CarbonylContact C-O 3.59Å; G85-T222 VanDerWaalsContact CA-O 3.23Å; G85-T222 WeakPolarHBondContact CA-O 3.34Å
86T83.9Confident79.2Confident32 Ų3254.7 Ų54.720%0.19630%0.297CS..Hα-helixtrans-65-32.2176.448.30000112.4S89 L90 T222 I224T86-S89 WeakPolarHBondContact O-CB 3.11Å; T86-L90 PolarHBondContact O-N 3.44Å; T86-T222 PolarHBondContact N-O 2.98Å; T86-T222 VanDerWaalsContact N-O 3.13Å; T86-I224 PolarHBondContact OG1-N 2.86Å
87A86.4Confident79.4Confident0 Ų054.4 Ų54.40%030%0.295CS..Hα-helixtrans-75.6-38176.100000111.6G85 S89 L90 R91 L215 I221 T222 I224G85-A87 VanDerWaalsContact C-N 3.27Å; G85-A87 PolarHBondContact O-N 3.43Å; A87-S89 VanDerWaalsContact C-N 3.28Å; A87-S89 PolarHBondContact O-N 2.98Å; A87-L90 WeakPolarHBondContact O-CB 3.31Å; A87-L90 PolarHBondContact O-N 3.16Å; A87-L90 VanDerWaalsContact O-N 3.11Å; A87-R91 WeakPolarHBondContact O-CG 3.18Å; A87-R91 PolarHBondContact O-N 2.82Å; A87-L215 HydrophobicContact CB-CD2 4.25Å; A87-I221 HydrophobicContact CB-CG2 3.97Å; A87-I221 VanDerWaalsContact CB-O 3.27Å; A87-I221 WeakPolarHBondContact CB-O 3.45Å; A87-T222 VanDerWaalsContact CB-O 3.31Å; A87-T222 WeakPolarHBondContact CB-O 3.38Å; A87-T222 PolarHBondContact N-O 3.19Å; A87-I224 HydrophobicContact CB-CG1 4.24Å
88D87.7Confident79.9Confident38 Ų3861.1 Ų61.120%0.20332%0.321CS..Hα-helixtrans-61-40.2173.7-61.9-55.2000111.6M84 G85 L90 R91 Y92M84-D88 HydrophobicContact CB-CB 3.99Å; M84-D88 HydrophobicContact CG-CB 4.17Å; G85-D88 PolarHBondContact N-OD2 3.13Å; G85-D88 PolarHBondContact O-N 3.4Å; D88-L90 VanDerWaalsContact C-N 3.29Å; D88-L90 PolarHBondContact O-N 3.23Å; D88-R91 WeakPolarHBondContact O-CB 3.45Å; D88-R91 PolarHBondContact O-N 2.7Å; D88-R91 VanDerWaalsContact O-N 3.09Å; D88-R91 IonicContact OD1-CZ 3.21Å; D88-R91 IonicContact OD1-NH1 2.98Å; D88-R91 PolarHBondContact OD1-NH1 2.7Å; D88-Y92 PolarHBondContact O-N 2.81Å
89S87.4Confident80.6Confident1 Ų162.6 Ų62.61%0.00733%0.33CS..Hα-helixtrans-58.4-40.6174-61.10000112G85 T86 A87 Y92 I93G85-S89 PolarHBondContact O-N 3.24Å; G85-S89 PolarHBondContact O-OG 2.96Å; T86-S89 WeakPolarHBondContact O-CB 3.11Å; A87-S89 VanDerWaalsContact C-N 3.28Å; A87-S89 PolarHBondContact O-N 2.98Å; S89-Y92 PolarHBondContact O-N 3.29Å; S89-I93 PolarHBondContact O-N 3.11Å
90L88.5Confident81.6Confident1 Ų161.6 Ų61.61%0.00532%0.321CS..Hα-helixtrans-66.8-38.9173.7-74.8-179.6000112.6V6 M8 T86 A87 D88 Y92 I93 Y94 V103 L215 I224V6-L90 HydrophobicContact CG1-CD2 4.23Å; M8-L90 HydrophobicContact CE-CB 4.44Å; M8-L90 HydrophobicContact CE-CD1 4.42Å; M8-L90 HydrophobicContact CE-CD2 3.24Å; M8-L90 HydrophobicContact CE-CG 3.39Å; T86-L90 PolarHBondContact O-N 3.44Å; A87-L90 WeakPolarHBondContact O-CB 3.31Å; A87-L90 PolarHBondContact O-N 3.16Å; A87-L90 VanDerWaalsContact O-N 3.11Å; D88-L90 VanDerWaalsContact C-N 3.29Å; D88-L90 PolarHBondContact O-N 3.23Å; L90-Y92 VanDerWaalsContact C-N 3.3Å; L90-Y92 PolarHBondContact O-N 3.47Å; L90-I93 HydrophobicContact CD2-CD1 3.99Å; L90-I93 HydrophobicContact CD2-CG1 4.47Å; L90-I93 VanDerWaalsContact O-CG1 3.27Å; L90-I93 WeakPolarHBondContact O-CG1 3.39Å; L90-I93 PolarHBondContact O-N 2.79Å; L90-Y94 PolarHBondContact O-N 3.13Å; L90-V103 HydrophobicContact CD1-CG2 4.26Å; L90-V103 HydrophobicContact CD2-CG2 4.09Å; L90-L215 HydrophobicContact CD1-CD1 3.86Å; L90-I224 HydrophobicContact CD1-CD1 3.43Å; L90-I224 VanDerWaalsContact CD1-CD1 3.43Å; L90-I224 HydrophobicContact CD1-CG1 4.18Å; L90-I224 HydrophobicContact CG-CD1 4.13Å
91R88.3Confident83.1Confident33 Ų3357.3 Ų57.313%0.12530%0.299CS..Hα-helixtrans-62.1-40.2177-67.3-178.5-173.3101.615.7111.7A87 D88 I93 Y94 L215 M216 N218 I221A87-R91 WeakPolarHBondContact O-CG 3.18Å; A87-R91 PolarHBondContact O-N 2.82Å; D88-R91 WeakPolarHBondContact O-CB 3.45Å; D88-R91 PolarHBondContact O-N 2.7Å; D88-R91 VanDerWaalsContact O-N 3.09Å; D88-R91 IonicContact OD1-CZ 3.21Å; D88-R91 IonicContact OD1-NH1 2.98Å; D88-R91 PolarHBondContact OD1-NH1 2.7Å; R91-I93 VanDerWaalsContact C-N 3.29Å; R91-I93 PolarHBondContact O-N 2.89Å; R91-Y94 WeakPolarHBondContact O-CB 3.33Å; R91-Y94 PolarHBondContact O-N 3.41Å; R91-L215 PolarHBondContact NE-O 2.89Å; R91-L215 PolarHBondContact NH2-O 3.32Å; R91-M216 VanDerWaalsContact CA-SD 3.57Å; R91-M216 HydrophobicContact CB-SD 3.74Å; R91-M216 HydrophobicContact CG-SD 3.85Å; R91-N218 PolarHBondContact NH2-O 3.13Å; R91-I221 PolarHBondContact NH1-O 3.24Å; R91-I221 PolarHBondContact NH2-O 3.43Å
92Y88.5Confident84.9Confident123 Ų12349.5 Ų49.548%0.48226%0.257SS..Hα-helixtrans-60.8-39.6178.3-171.1-98.4000112.3V76 I78 D88 S89 L90V76-Y92 HydrophobicContact CG1-CD1 3.76Å; V76-Y92 HydrophobicContact CG1-CE1 3.49Å; V76-Y92 VanDerWaalsContact CG1-CE1 3.49Å; I78-Y92 HydrophobicContact CD1-CD1 4.23Å; I78-Y92 HydrophobicContact CD1-CG 4.32Å; I78-Y92 HydrophobicContact CG1-CD1 3.86Å; I78-Y92 HydrophobicContact CG1-CE1 4.25Å; I78-Y92 HydrophobicContact CG1-CG 4.26Å; D88-Y92 PolarHBondContact O-N 2.81Å; S89-Y92 PolarHBondContact O-N 3.29Å; L90-Y92 VanDerWaalsContact C-N 3.3Å; L90-Y92 PolarHBondContact O-N 3.47Å
93I89.6Confident86.7Confident2 Ų246.9 Ų46.91%0.0124%0.235CC..Hα-helixtrans-89.5-4.1-179.565.7169.2000114.2V6 I52 V54 V76 S89 L90 R91 P95 K96 L97V6-I93 HydrophobicContact CB-CD1 4.24Å; V6-I93 HydrophobicContact CG1-CD1 3.48Å; V6-I93 VanDerWaalsContact CG1-CD1 3.48Å; V6-I93 HydrophobicContact CG2-CD1 3.64Å; I52-I93 HydrophobicContact CG2-CD1 4.28Å; I52-I93 HydrophobicContact CG2-CG2 4.36Å; V54-I93 HydrophobicContact CG2-CD1 4.08Å; V54-I93 HydrophobicContact CG2-CG2 3.79Å; V76-I93 HydrophobicContact CB-CG2 4.27Å; V76-I93 HydrophobicContact CG1-CG2 4.02Å; V76-I93 HydrophobicContact CG2-CG2 4.41Å; S89-I93 PolarHBondContact O-N 3.11Å; L90-I93 HydrophobicContact CD2-CD1 3.99Å; L90-I93 HydrophobicContact CD2-CG1 4.47Å; L90-I93 VanDerWaalsContact O-CG1 3.27Å; L90-I93 WeakPolarHBondContact O-CG1 3.39Å; L90-I93 PolarHBondContact O-N 2.79Å; R91-I93 VanDerWaalsContact C-N 3.29Å; R91-I93 PolarHBondContact O-N 2.89Å; I93-P95 VanDerWaalsContact C-N 3.34Å; I93-P95 VanDerWaalsContact O-N 3.14Å; I93-K96 WeakPolarHBondContact O-CB 3.25Å; I93-K96 PolarHBondContact O-N 3.29Å; I93-L97 HydrophobicContact CD1-CD1 4.06Å; I93-L97 HydrophobicContact CD1-CD2 4.1Å; I93-L97 HydrophobicContact CD1-CG 4.32Å; I93-L97 HydrophobicContact CG1-CD1 3.86Å; I93-L97 HydrophobicContact CG1-CG 4.21Å
94Y89.7Confident88.1Confident70 Ų7038.4 Ų38.428%0.27519%0.19SC..G310 helixtrans-42.2-46.4179.3-179.6-107.2000116L90 R91 K96 L97 V212 D213 M216L90-Y94 PolarHBondContact O-N 3.13Å; R91-Y94 WeakPolarHBondContact O-CB 3.33Å; R91-Y94 PolarHBondContact O-N 3.41Å; Y94-K96 PolarHBondContact O-N 2.75Å; Y94-L97 PolarHBondContact O-N 3.42Å; Y94-V212 HydrophobicContact CD2-CG1 3.85Å; Y94-V212 HydrophobicContact CE2-CG1 4.31Å; Y94-D213 VanDerWaalsContact CE2-OD1 3.23Å; Y94-D213 WeakPolarHBondContact CE2-OD1 3.05Å; Y94-D213 PolarHBondContact OH-OD1 2.97Å; Y94-M216 WeakPolarHBondContact CB-SD 3.49Å; Y94-M216 HydrophobicContact CD1-CE 3.7Å; Y94-M216 HydrophobicContact CD1-CG 3.63Å; Y94-M216 HydrophobicContact CD1-SD 3.81Å; Y94-M216 HydrophobicContact CD2-CG 3.27Å; Y94-M216 HydrophobicContact CD2-SD 3.9Å; Y94-M216 HydrophobicContact CE1-CE 4.37Å; Y94-M216 HydrophobicContact CE1-CG 3.85Å; Y94-M216 HydrophobicContact CE2-CG 3.51Å; Y94-M216 HydrophobicContact CG-CE 3.95Å; Y94-M216 HydrophobicContact CG-CG 3.32Å; Y94-M216 HydrophobicContact CG-SD 3.41Å
95P88.8Confident88.9Confident105 Ų10536.2 Ų36.268%0.68218%0.18SC*.G310 helixtrans-62.6-19-17924.6-35.9000114I93I93-P95 VanDerWaalsContact C-N 3.34Å; I93-P95 VanDerWaalsContact O-N 3.14Å
96K88.1Confident89.3Confident80 Ų8035.5 Ų35.535%0.34817%0.171SC..G310 helixtrans-89-19.2176.1-60.8-172.7172.1-164.70112.9Q4 I52 D74 V76 I93 Y94 K98Q4-K96 PolarHBondContact NE2-O 2.75Å; I52-K96 HydrophobicContact CD1-CB 4.27Å; D74-K96 IonicContact OD1-NZ 2.63Å; D74-K96 PolarHBondContact OD1-NZ 2.9Å; D74-K96 IonicContact OD2-NZ 3.85Å; D74-K96 PolarHBondContact OD2-NZ 2.85Å; V76-K96 HydrophobicContact CG2-CD 4.2Å; V76-K96 VanDerWaalsContact CG2-NZ 3.25Å; I93-K96 WeakPolarHBondContact O-CB 3.25Å; I93-K96 PolarHBondContact O-N 3.29Å; Y94-K96 PolarHBondContact O-N 2.75Å; K96-K98 PolarHBondContact O-N 3.01Å
97L88.6Confident89.4Confident6 Ų634.2 Ų34.23%0.03116%0.163CC..  trans-84111.6-175.5-60.3175.9000110.3V6 I52 I93 Y94 V101 K209 V212V6-L97 HydrophobicContact CG2-CD2 3.92Å; I52-L97 HydrophobicContact CD1-CD2 4.1Å; I93-L97 HydrophobicContact CD1-CD1 4.06Å; I93-L97 HydrophobicContact CD1-CD2 4.1Å; I93-L97 HydrophobicContact CD1-CG 4.32Å; I93-L97 HydrophobicContact CG1-CD1 3.86Å; I93-L97 HydrophobicContact CG1-CG 4.21Å; Y94-L97 PolarHBondContact O-N 3.42Å; L97-V101 HydrophobicContact CB-CG2 4.41Å; L97-V101 HydrophobicContact CD1-CG2 4.14Å; L97-V101 HydrophobicContact CD2-CG1 4.39Å; L97-V101 HydrophobicContact CD2-CG2 3.98Å; L97-V101 HydrophobicContact CG-CG2 4.41Å; L97-K209 WeakPolarHBondContact O-CE 3.17Å; L97-V212 HydrophobicContact CD1-CG1 3.8Å
98K89.1Confident89.5Confident169 Ų16934.4 Ų34.474%0.73516%0.164SC*.  trans-110.8-27.8-179.3-66.2-178.1-177.3175.80113.2K96K96-K98 PolarHBondContact O-N 3.01Å
99T91.4Very high89.5Confident36 Ų3632.6 Ų32.622%0.22116%0.155CC..SBendtrans-118.7-173.3-17464.80000110.7M1 Q4M1-T99 WeakPolarHBondContact O-CG2 3.47Å; Q4-T99 WeakPolarHBondContact CG-OG1 2.88Å; Q4-T99 PolarHBondContact N-OG1 3.31Å
100D92.4Very high89.2Confident41 Ų4133.4 Ų33.422%0.21916%0.159CC..EExtended strand (participates in β ladder)trans-60.5149171-68.8-17.6000110.5F3 Q4 K208 K209F3-D100 CarbonylContact C-O 3.56Å; F3-D100 WeakPolarHBondContact CA-O 3.21Å; F3-D100 HydrophobicContact CD1-CB 3.65Å; F3-D100 HydrophobicContact CE1-CB 3.69Å; Q4-D100 PolarHBondContact N-O 3.34Å; D100-K208 VanDerWaalsContact OD1-CA 3.31Å; D100-K208 WeakPolarHBondContact OD1-CA 3.23Å; D100-K209 PolarHBondContact OD1-N 3.45Å
101V92.9Very high88.7Confident0 Ų036.3 Ų36.30%018%0.175CC..EExtended strand (participates in β ladder)trans-116.7127.9-166.7-175.40000110.3Q4 V6 L97 V103 L207 V212Q4-V101 WeakPolarHBondContact O-CA 3.45Å; V6-V101 HydrophobicContact CB-CG1 4.31Å; V6-V101 HydrophobicContact CG2-CG1 3.64Å; L97-V101 HydrophobicContact CB-CG2 4.41Å; L97-V101 HydrophobicContact CD1-CG2 4.14Å; L97-V101 HydrophobicContact CD2-CG1 4.39Å; L97-V101 HydrophobicContact CD2-CG2 3.98Å; L97-V101 HydrophobicContact CG-CG2 4.41Å; V101-V103 HydrophobicContact CG1-CG2 3.82Å; V101-L207 PolarHBondContact N-O 3.01Å; V101-L207 PolarHBondContact O-N 3.34Å; V101-V212 HydrophobicContact CB-CG2 4.34Å; V101-V212 HydrophobicContact CG2-CG2 3.87Å
102L93.3Very high88Confident0 Ų035.6 Ų35.60%017%0.174CC..EExtended strand (participates in β ladder)trans-102.9107.8172.8-177.486.6000108.4Q4 A5 V6 L43 F48 L104 L114 L204 Y205 C206Q4-L102 PolarHBondContact O-N 2.83Å; A5-L102 CarbonylContact C-O 3.57Å; A5-L102 WeakPolarHBondContact CA-O 3.17Å; A5-L102 HydrophobicContact CB-CD2 4.16Å; V6-L102 PolarHBondContact N-O 2.95Å; L43-L102 HydrophobicContact CD2-CD2 3.7Å; F48-L102 HydrophobicContact CE2-CD2 4.07Å; F48-L102 HydrophobicContact CZ-CD2 3.81Å; L102-L104 HydrophobicContact CD2-CD1 3.59Å; L102-L104 HydrophobicContact CG-CD1 3.74Å; L102-L114 HydrophobicContact CD1-CD1 4.35Å; L102-L114 HydrophobicContact CD2-CD1 3.92Å; L102-L114 HydrophobicContact CD2-CD2 4.43Å; L102-L204 HydrophobicContact CD1-CD1 4.13Å; L102-L204 HydrophobicContact CG-CD1 4.41Å; L102-Y205 CarbonylContact C-O 3.49Å; L102-Y205 WeakPolarHBondContact CA-O 3.39Å; L102-C206 WeakPolarHBondContact CD1-SG 3.4Å
103V92.6Very high87.3Confident0 Ų031.7 Ų31.70%017%0.167CC..EExtended strand (participates in β ladder)trans-97.3125.6-178.5-175.90000109.8V6 M8 L90 V101 L204 Y205 L207 I224V6-V103 WeakPolarHBondContact O-CA 3.44Å; M8-V103 HydrophobicContact CE-CG1 4.12Å; M8-V103 HydrophobicContact CG-CG1 3.92Å; L90-V103 HydrophobicContact CD1-CG2 4.26Å; L90-V103 HydrophobicContact CD2-CG2 4.09Å; V101-V103 HydrophobicContact CG1-CG2 3.82Å; V103-L204 WeakPolarHBondContact O-CA 3.18Å; V103-Y205 HydrophobicContact CB-CD2 4.41Å; V103-Y205 PolarHBondContact N-O 3.03Å; V103-Y205 PolarHBondContact O-N 3.16Å; V103-L207 HydrophobicContact CB-CD1 4.29Å; V103-L207 HydrophobicContact CG2-CD1 3.64Å; V103-I224 HydrophobicContact CG1-CD1 4.24Å
104L91.8Very high87Confident0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-123147.4173.4-65.492000109.9V6 V7 M8 P39 L42 L43 L102 L204V6-L104 PolarHBondContact O-N 2.83Å; V7-L104 CarbonylContact C-O 3.59Å; V7-L104 WeakPolarHBondContact CA-O 3.3Å; V7-L104 HydrophobicContact CG2-CB 4.5Å; M8-L104 PolarHBondContact N-O 3.18Å; P39-L104 HydrophobicContact CB-CD2 4.31Å; L42-L104 HydrophobicContact CD2-CD2 4.46Å; L43-L104 HydrophobicContact CD1-CD1 4.31Å; L43-L104 HydrophobicContact CD2-CD1 4Å; L43-L104 HydrophobicContact CG-CD1 4.5Å; L102-L104 HydrophobicContact CD2-CD1 3.59Å; L102-L104 HydrophobicContact CG-CD1 3.74Å; L104-L204 HydrophobicContact CD1-CD1 4.14Å; L104-L204 HydrophobicContact CD2-CD1 3.89Å; L104-L204 HydrophobicContact CG-CD1 3.6Å
105S89.3Confident86.8Confident4 Ų433.5 Ų33.53%0.02818%0.178CC..EExtended strand (participates in β ladder)trans-88.1153.1167.266.70000111.9P39 D107 H203P39-S105 VanDerWaalsContact CG-O 3.27Å; P39-S105 WeakPolarHBondContact CG-O 3.34Å; S105-D107 WeakPolarHBondContact CB-OD1 3.18Å; S105-D107 PolarHBondContact O-N 2.89Å; S105-D107 PolarHBondContact OG-OD1 2.87Å; S105-H203 PolarHBondContact N-O 3.23Å
106C87Confident86.6Confident5 Ų532.5 Ų32.53%0.03416%0.164CC..THydrogen-bonded Turntrans-68.6-17.8175.668.90000113.6V7 M8 A9 P26 L35V7-C106 HydrophobicContact CG1-CB 4.49Å; M8-C106 WeakPolarHBondContact O-CB 3.22Å; M8-C106 PolarHBondContact O-N 3.18Å; A9-C106 HydrophobicContact CB-CB 3.98Å; P26-C106 HydrophobicContact CB-CB 4.25Å; P26-C106 HydrophobicContact CG-CB 4.49Å; L35-C106 CarbonylContact C-O 3.55Å
107D86.9Confident86.6Confident4 Ų428.8 Ų28.82%0.02115%0.148CC..THydrogen-bonded Turntrans-9610.6-176.366-12.1000113.5K25 S105 R312 V313K25-D107 IonicContact NZ-OD2 3.81Å; K25-D107 PolarHBondContact NZ-OD2 3.38Å; S105-D107 WeakPolarHBondContact CB-OD1 3.18Å; S105-D107 PolarHBondContact O-N 2.89Å; S105-D107 PolarHBondContact OG-OD1 2.87Å; D107-R312 WeakPolarHBondContact O-CA 3.48Å; D107-R312 IonicContact OD1-NE 2.64Å; D107-R312 IonicContact OD2-NE 3.24Å; D107-R312 PolarHBondContact OD2-NE 3.27Å; D107-V313 HydrophobicContact CB-CB 4.39Å; D107-V313 WeakPolarHBondContact CB-O 3.38Å; D107-V313 PolarHBondContact O-N 2.89Å
108L87.9Confident86.6Confident4 Ų428.9 Ų28.92%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-89.3118.5-179-177.757.5000111.5P39 T110 A202 L204P39-L108 WeakPolarHBondContact CD-O 3.45Å; P39-L108 HydrophobicContact CG-CB 4.47Å; P39-L108 WeakPolarHBondContact CG-O 3.39Å; L108-T110 WeakPolarHBondContact CD1-OG1 3.16Å; L108-T110 WeakPolarHBondContact CG-OG1 3.16Å; L108-A202 HydrophobicContact CD1-CB 4Å; L108-A202 VanDerWaalsContact CD1-O 3.23Å; L108-A202 WeakPolarHBondContact CD1-O 3.37Å; L108-L204 HydrophobicContact CD2-CB 4.06Å
109I87.3Confident86.6Confident1 Ų124.4 Ų24.41%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-111.6114.3170.5-58.9171.8000107.1V30 L35 Y38 L309 C310 S311 V313 A322 V326 L329V30-I109 HydrophobicContact CB-CD1 4.25Å; V30-I109 HydrophobicContact CG1-CD1 3.75Å; V30-I109 HydrophobicContact CG2-CD1 4.3Å; L35-I109 HydrophobicContact CD2-CD1 3.87Å; L35-I109 HydrophobicContact CD2-CG1 4.19Å; Y38-I109 HydrophobicContact CD1-CG1 4.47Å; Y38-I109 HydrophobicContact CD1-CG2 3.97Å; Y38-I109 HydrophobicContact CD2-CD1 4.48Å; Y38-I109 HydrophobicContact CD2-CG1 4.04Å; Y38-I109 HydrophobicContact CE1-CG2 4.26Å; Y38-I109 HydrophobicContact CE2-CD1 4.5Å; Y38-I109 HydrophobicContact CG-CG1 4.03Å; Y38-I109 HydrophobicContact CG-CG2 4.35Å; I109-L309 HydrophobicContact CG2-CD2 4.31Å; I109-C310 CarbonylContact O-C 3.52Å; I109-C310 VanDerWaalsContact O-CA 3.23Å; I109-C310 WeakPolarHBondContact O-CA 3.15Å; I109-S311 PolarHBondContact N-O 2.93Å; I109-S311 PolarHBondContact O-N 3.47Å; I109-V313 HydrophobicContact CD1-CG2 3.75Å; I109-V313 HydrophobicContact CG1-CG2 4.45Å; I109-A322 HydrophobicContact CD1-CB 3.82Å; I109-V326 HydrophobicContact CD1-CG2 4.35Å; I109-V326 HydrophobicContact CG2-CG2 4.18Å; I109-L329 HydrophobicContact CG2-CD1 4.2Å
110T82.2Confident86.4Confident17 Ų1723.4 Ų23.410%0.10413%0.127CC..EExtended strand (participates in β ladder)trans-143.2139.4-170.8-67.90000112.6L42 L108 V112 L131 L309 C310L42-T110 HydrophobicContact CD1-CG2 4.32Å; L108-T110 WeakPolarHBondContact CD1-OG1 3.16Å; L108-T110 WeakPolarHBondContact CG-OG1 3.16Å; T110-V112 HydrophobicContact CG2-CB 3.44Å; T110-V112 VanDerWaalsContact CG2-CB 3.44Å; T110-V112 HydrophobicContact CG2-CG2 3.67Å; T110-L131 HydrophobicContact CG2-CD2 4.29Å; T110-L309 WeakPolarHBondContact CA-O 3.44Å; T110-C310 HydrophobicContact CG2-CB 4.29Å
111D77.9Confident86.2Confident63 Ų6321.8 Ų21.834%0.33712%0.118SC..  trans-105.9-9.3175.8-54.7-7.9000111.6A113 L309 L329D111-A113 PolarHBondContact O-N 3.14Å; D111-L309 HydrophobicContact CB-CB 4.47Å; D111-L309 PolarHBondContact N-O 2.85Å; D111-L309 WeakPolarHBondContact OD2-CB 3.22Å; D111-L309 PolarHBondContact OD2-N 3.06Å; D111-L329 HydrophobicContact CB-CD2 4.28Å; D111-L329 WeakPolarHBondContact OD1-CD1 3.3Å; D111-L329 WeakPolarHBondContact OD1-CD2 3.45Å; D111-L329 VanDerWaalsContact OD1-CG 3.23Å; D111-L329 WeakPolarHBondContact OD1-CG 3.21Å; D111-L329 WeakPolarHBondContact OD2-CD1 3.35Å; D111-L329 WeakPolarHBondContact OD2-CD2 3.3Å; D111-L329 VanDerWaalsContact OD2-CG 3.24Å; D111-L329 WeakPolarHBondContact OD2-CG 3.43Å
112V73.2Confident86Confident18 Ų1827.7 Ų27.711%0.10914%0.14CC..SBendtrans-60.4132.8179-178.10000108.8T110 L114 L131 M305 C310T110-V112 HydrophobicContact CG2-CB 3.44Å; T110-V112 VanDerWaalsContact CG2-CB 3.44Å; T110-V112 HydrophobicContact CG2-CG2 3.67Å; V112-L114 PolarHBondContact O-N 3.48Å; V112-L114 VanDerWaalsContact O-N 3.15Å; V112-L131 HydrophobicContact CB-CD2 4.38Å; V112-L131 HydrophobicContact CG1-CD1 4.39Å; V112-L131 HydrophobicContact CG2-CD2 4.3Å; V112-M305 HydrophobicContact CG2-CE 3.28Å; V112-M305 HydrophobicContact CG2-CG 3.77Å; V112-M305 HydrophobicContact CG2-SD 3.18Å; V112-M305 WeakPolarHBondContact CG2-SD 3.27Å; V112-C310 HydrophobicContact CG2-CB 4.44Å
113A73.9Confident85.6Confident40 Ų4031.1 Ų31.133%0.33117%0.168SC..  trans-71.6111.6172.300000108.8D111 H115 E116D111-A113 PolarHBondContact O-N 3.14Å; A113-H115 WeakPolarHBondContact CB-CE1 3.4Å; A113-H115 WeakPolarHBondContact CB-ND1 3.44Å; A113-H115 PolarHBondContact O-N 3.13Å; A113-E116 PolarHBondContact O-N 3.5Å
114L82.8Confident85.1Confident8 Ų833.8 Ų33.84%0.04218%0.179CC..THydrogen-bonded Turntrans-56.4-23-174.7-174.1137.8000113.6L42 V46 L102 V112 E116 V117 V118 L204L42-L114 HydrophobicContact CD2-CB 4.09Å; L42-L114 HydrophobicContact CD2-CD1 3.47Å; L42-L114 VanDerWaalsContact CD2-CD1 3.47Å; L42-L114 HydrophobicContact CD2-CG 4.39Å; V46-L114 HydrophobicContact CG1-CD2 4.22Å; V46-L114 HydrophobicContact CG2-CB 3.98Å; V46-L114 HydrophobicContact CG2-CD2 4.47Å; L102-L114 HydrophobicContact CD1-CD1 4.35Å; L102-L114 HydrophobicContact CD2-CD1 3.92Å; L102-L114 HydrophobicContact CD2-CD2 4.43Å; V112-L114 PolarHBondContact O-N 3.48Å; V112-L114 VanDerWaalsContact O-N 3.15Å; L114-E116 PolarHBondContact O-N 2.77Å; L114-V117 PolarHBondContact O-N 2.9Å; L114-V118 HydrophobicContact CD2-CG2 3.38Å; L114-V118 HydrophobicContact CG-CG2 4.31Å; L114-V118 PolarHBondContact O-N 2.93Å; L114-V118 VanDerWaalsContact O-N 3.16Å; L114-L204 HydrophobicContact CD1-CD1 4.03Å; L114-L204 HydrophobicContact CD1-CD2 4.33Å
115H84.9Confident84.7Confident103 Ų10337.7 Ų37.748%0.47720%0.2SC..Hα-helixtrans-57.5-34.117668.7-99.7000112.5A113 V117 V118 D119A113-H115 WeakPolarHBondContact CB-CE1 3.4Å; A113-H115 WeakPolarHBondContact CB-ND1 3.44Å; A113-H115 PolarHBondContact O-N 3.13Å; H115-V117 VanDerWaalsContact C-N 3.28Å; H115-V117 PolarHBondContact O-N 2.99Å; H115-V118 PolarHBondContact O-N 3.2Å; H115-D119 IonicContact CD2-OD2 2.7Å; H115-D119 WeakPolarHBondContact O-CB 3.46Å; H115-D119 PolarHBondContact O-N 2.88Å
116E85.8Confident84.6Confident83 Ų8337.5 Ų37.539%0.38820%0.198SC..Hα-helixtrans-63.7-35.6-178.9-62.1-174.9175.500112.5A113 L114 L120 H303A113-E116 PolarHBondContact O-N 3.5Å; L114-E116 PolarHBondContact O-N 2.77Å; E116-L120 VanDerWaalsContact O-CG 3.3Å; E116-L120 WeakPolarHBondContact O-CG 3.37Å; E116-L120 PolarHBondContact O-N 2.64Å; E116-H303 IonicContact OE2-CE1 3.71Å; E116-H303 PolarHBondContact OE2-CE1 3.43Å; E116-H303 IonicContact OE2-NE2 2.92Å; E116-H303 PolarHBondContact OE2-NE2 2.87Å
117V87.1Confident84.7Confident2 Ų237.3 Ų37.31%0.01220%0.197CC..Hα-helixtrans-73.7-42.4175.1138.80000111L114 H115 L120 F121 L131 L204 C206 H303L114-V117 PolarHBondContact O-N 2.9Å; H115-V117 VanDerWaalsContact C-N 3.28Å; H115-V117 PolarHBondContact O-N 2.99Å; V117-L120 PolarHBondContact O-N 2.69Å; V117-F121 PolarHBondContact O-N 3.12Å; V117-L131 HydrophobicContact CG2-CB 4.13Å; V117-L131 HydrophobicContact CG2-CD1 4.3Å; V117-L204 HydrophobicContact CG1-CD2 4.4Å; V117-C206 WeakPolarHBondContact CG1-SG 3.44Å; V117-H303 HydrophobicContact CG2-CB 3.59Å
118V89.4Confident84.9Confident9 Ų937.1 Ų37.16%0.05520%0.196CC..Hα-helixtrans-69-36.8-179.8174.10000111.3F3 L114 H115 L120 F121 R122F3-V118 HydrophobicContact CE2-CG1 3.8Å; F3-V118 HydrophobicContact CZ-CG1 4.28Å; L114-V118 HydrophobicContact CD2-CG2 3.38Å; L114-V118 HydrophobicContact CG-CG2 4.31Å; L114-V118 PolarHBondContact O-N 2.93Å; L114-V118 VanDerWaalsContact O-N 3.16Å; H115-V118 PolarHBondContact O-N 3.2Å; V118-L120 VanDerWaalsContact C-N 3.32Å; V118-L120 PolarHBondContact O-N 3.02Å; V118-F121 WeakPolarHBondContact O-CB 3.26Å; V118-F121 PolarHBondContact O-N 3.1Å; V118-F121 VanDerWaalsContact O-N 3.13Å; V118-R122 HydrophobicContact CG1-CG 4.3Å; V118-R122 WeakPolarHBondContact O-CB 3.14Å; V118-R122 WeakPolarHBondContact O-CG 3.5Å; V118-R122 PolarHBondContact O-N 3.27Å
119D89.2Confident85Confident74 Ų7437 Ų3740%0.39620%0.196SC..Hα-helixtrans-65.8-37.4177.1-69.9-19.8000110.8H115 R122 A123H115-D119 IonicContact CD2-OD2 2.7Å; H115-D119 WeakPolarHBondContact O-CB 3.46Å; H115-D119 PolarHBondContact O-N 2.88Å; D119-R122 PolarHBondContact O-N 2.94Å; D119-A123 WeakPolarHBondContact O-CB 3.24Å; D119-A123 PolarHBondContact O-N 2.96Å
120L86Confident85.2Confident16 Ų1637 Ų378%0.08420%0.196CC..Hα-helixtrans-65.1-41.3171-71.9172.1000111.8E116 V117 V118 Y124 K165 H303E116-L120 VanDerWaalsContact O-CG 3.3Å; E116-L120 WeakPolarHBondContact O-CG 3.37Å; E116-L120 PolarHBondContact O-N 2.64Å; V117-L120 PolarHBondContact O-N 2.69Å; V118-L120 VanDerWaalsContact C-N 3.32Å; V118-L120 PolarHBondContact O-N 3.02Å; L120-Y124 HydrophobicContact CD2-CD2 4.22Å; L120-Y124 HydrophobicContact CD2-CE2 3.8Å; L120-Y124 WeakPolarHBondContact O-CD2 2.95Å; L120-Y124 PolarHBondContact O-N 2.94Å; L120-K165 HydrophobicContact CD2-CD 3.79Å; L120-K165 HydrophobicContact CD2-CG 4.45Å; L120-H303 HydrophobicContact CD1-CB 3.75Å
121F89.1Confident85.6Confident7 Ų736.2 Ų36.23%0.03119%0.191CC..Hα-helixtrans-61.8-44.5176.8-176.3-92000111.6F3 V117 V118 D125 A126 A129 C206 K208F3-F121 AromaticContact CE1-CD1 3.84Å; F3-F121 HydrophobicContact CE1-CD1 3.84Å; F3-F121 AromaticContact CE1-CE1 3.51Å; F3-F121 HydrophobicContact CE1-CE1 3.51Å; F3-F121 HydrophobicContact CE1-CZ 4.16Å; F3-F121 AromaticContact CZ-CD1 3.58Å; F3-F121 HydrophobicContact CZ-CD1 3.58Å; F3-F121 AromaticContact CZ-CE1 3.63Å; F3-F121 HydrophobicContact CZ-CE1 3.63Å; V117-F121 PolarHBondContact O-N 3.12Å; V118-F121 WeakPolarHBondContact O-CB 3.26Å; V118-F121 PolarHBondContact O-N 3.1Å; V118-F121 VanDerWaalsContact O-N 3.13Å; F121-D125 WeakPolarHBondContact O-CA 3.01Å; F121-D125 PolarHBondContact O-N 3.01Å; F121-D125 VanDerWaalsContact O-N 3.16Å; F121-A126 HydrophobicContact CD2-CB 3.89Å; F121-A126 HydrophobicContact CE2-CB 4.48Å; F121-A126 WeakPolarHBondContact CE2-O 3.19Å; F121-A126 HydrophobicContact CG-CB 4.46Å; F121-A126 WeakPolarHBondContact CZ-O 3.45Å; F121-A126 PolarHBondContact O-N 2.92Å; F121-A129 HydrophobicContact CB-CB 3.92Å; F121-A129 HydrophobicContact CD2-CB 3.93Å; F121-A129 HydrophobicContact CG-CB 4.43Å; F121-C206 HydrophobicContact CB-CB 4.35Å; F121-C206 HydrophobicContact CD2-CB 3.53Å; F121-C206 HydrophobicContact CE2-CB 3.89Å; F121-C206 HydrophobicContact CG-CB 3.96Å; F121-K208 HydrophobicContact CE1-CG 4.47Å; F121-K208 HydrophobicContact CE2-CG 4.11Å; F121-K208 HydrophobicContact CZ-CG 3.53Å
122R88.1Confident86Confident124 Ų12433.2 Ų33.247%0.46818%0.175SC..Hα-helixtrans-68.9-48.6177.9-71.3172.2172.9165.5-3112.8E2 V118 D119 Y124 D125E2-R122 IonicContact OE1-CZ 2.71Å; E2-R122 IonicContact OE1-NE 3.4Å; E2-R122 PolarHBondContact OE1-NE 3.25Å; E2-R122 IonicContact OE1-NH2 2.78Å; E2-R122 PolarHBondContact OE1-NH2 2.87Å; E2-R122 VanDerWaalsContact OE1-NH2 3.14Å; E2-R122 IonicContact OE2-CZ 2.99Å; E2-R122 IonicContact OE2-NE 2.69Å; E2-R122 IonicContact OE2-NH2 3.74Å; E2-R122 PolarHBondContact OE2-NH2 3.45Å; V118-R122 HydrophobicContact CG1-CG 4.3Å; V118-R122 WeakPolarHBondContact O-CB 3.14Å; V118-R122 WeakPolarHBondContact O-CG 3.5Å; V118-R122 PolarHBondContact O-N 3.27Å; D119-R122 PolarHBondContact O-N 2.94Å; R122-Y124 VanDerWaalsContact C-N 3.32Å; R122-Y124 PolarHBondContact O-N 2.91Å; R122-D125 PolarHBondContact O-N 2.71Å
123A85.4Confident86.6Confident72 Ų7233.6 Ų33.660%0.59517%0.174SC*.Hα-helixtrans-65-35.9-172.600000112.9D119D119-A123 WeakPolarHBondContact O-CB 3.24Å; D119-A123 PolarHBondContact O-N 2.96Å
124Y82.1Confident86.9Confident55 Ų5537 Ų3722%0.21618%0.181CC..THydrogen-bonded Turntrans-104.54.3-178.1-63.4-73000113.8L120 R122 A126 K165 R299 Y301L120-Y124 HydrophobicContact CD2-CD2 4.22Å; L120-Y124 HydrophobicContact CD2-CE2 3.8Å; L120-Y124 WeakPolarHBondContact O-CD2 2.95Å; L120-Y124 PolarHBondContact O-N 2.94Å; R122-Y124 VanDerWaalsContact C-N 3.32Å; R122-Y124 PolarHBondContact O-N 2.91Å; Y124-A126 VanDerWaalsContact C-N 3.25Å; Y124-A126 PolarHBondContact O-N 3.47Å; Y124-K165 HydrophobicContact CE2-CD 4.26Å; Y124-R299 PolarHBondContact O-NH1 3.37Å; Y124-R299 VanDerWaalsContact O-NH1 3.09Å; Y124-Y301 VanDerWaalsContact CB-CZ 3.41Å; Y124-Y301 HydrophobicContact CD1-CE1 4.11Å; Y124-Y301 AromaticContact CD1-CZ 3.86Å; Y124-Y301 WeakPolarHBondContact CD1-OH 2.79Å; Y124-Y301 HydrophobicContact CD2-CD1 4.13Å; Y124-Y301 AromaticContact CD2-CE1 3.85Å; Y124-Y301 HydrophobicContact CD2-CE1 3.85Å; Y124-Y301 HydrophobicContact CE2-CE1 4.32Å; Y124-Y301 HydrophobicContact CG-CD1 4.39Å; Y124-Y301 AromaticContact CG-CE1 3.74Å; Y124-Y301 HydrophobicContact CG-CE1 3.74Å; Y124-Y301 HydrophobicContact CG-CE2 4.02Å; Y124-Y301 AromaticContact CG-CZ 3.52Å
125D83.5Confident86.1Confident82 Ų8238.2 Ų38.244%0.43920%0.196SC..THydrogen-bonded Turntrans46.254.1-174.3-174.552.6000110.7F121 R122 K208 R299F121-D125 WeakPolarHBondContact O-CA 3.01Å; F121-D125 PolarHBondContact O-N 3.01Å; F121-D125 VanDerWaalsContact O-N 3.16Å; R122-D125 PolarHBondContact O-N 2.71Å; D125-K208 VanDerWaalsContact OD1-CE 3.25Å; D125-K208 WeakPolarHBondContact OD1-CE 3.23Å; D125-K208 IonicContact OD1-NZ 2.55Å; D125-K208 PolarHBondContact OD1-NZ 3.01Å; D125-K208 IonicContact OD2-NZ 3.57Å; D125-K208 PolarHBondContact OD2-NZ 2.78Å; D125-R299 PolarHBondContact O-NH1 3.05Å; D125-R299 IonicContact OD2-NH1 3.61Å
126A86.1Confident84.9Confident0 Ų038 Ų380%020%0.196CC..  trans-70.6147.4-170.700000111.4F121 Y124 K208 Y301F121-A126 HydrophobicContact CD2-CB 3.89Å; F121-A126 HydrophobicContact CE2-CB 4.48Å; F121-A126 WeakPolarHBondContact CE2-O 3.19Å; F121-A126 HydrophobicContact CG-CB 4.46Å; F121-A126 WeakPolarHBondContact CZ-O 3.45Å; F121-A126 PolarHBondContact O-N 2.92Å; Y124-A126 VanDerWaalsContact C-N 3.25Å; Y124-A126 PolarHBondContact O-N 3.47Å; A126-K208 WeakPolarHBondContact O-CD 3.2Å; A126-K208 VanDerWaalsContact O-CE 3.28Å; A126-K208 WeakPolarHBondContact O-CE 3.3Å; A126-K208 WeakPolarHBondContact O-CG 3.16Å; A126-Y301 HydrophobicContact CB-CD2 3.58Å; A126-Y301 HydrophobicContact CB-CE2 4.21Å
127S88.9Confident83.3Confident1 Ų141.1 Ų41.11%0.00722%0.215CC..SBendtrans-77-35.7168.6-46.50000111.5K208 Y210 V298 R299S127-K208 PolarHBondContact O-N 3.49Å; S127-K208 VanDerWaalsContact O-N 3.14Å; S127-Y210 WeakPolarHBondContact CB-OH 3.28Å; S127-Y210 PolarHBondContact OG-OH 3.38Å; S127-V298 WeakPolarHBondContact OG-CA 3.44Å; S127-R299 WeakPolarHBondContact CA-O 3.5Å; S127-R299 VanDerWaalsContact CB-O 3.3Å; S127-R299 WeakPolarHBondContact CB-O 3.48Å; S127-R299 PolarHBondContact N-O 3.38Å; S127-R299 PolarHBondContact OG-N 3.19Å; S127-R299 PolarHBondContact OG-O 3.4Å
128L91.4Very high81.6Confident1 Ų145 Ų451%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-141.4131.3178.3176.671.3000108.9Y205 C206 L207 I229 L232 R299 C300 Y301L128-Y205 HydrophobicContact CD1-CD1 4.48Å; L128-C206 CarbonylContact C-O 3.47Å; L128-C206 VanDerWaalsContact CA-O 3.27Å; L128-C206 WeakPolarHBondContact CA-O 3.45Å; L128-L207 HydrophobicContact CD1-CD1 4.44Å; L128-L207 HydrophobicContact CD1-CD2 4.47Å; L128-L207 HydrophobicContact CD1-CG 3.92Å; L128-I229 HydrophobicContact CD2-CB 4.33Å; L128-I229 HydrophobicContact CD2-CG1 3.84Å; L128-I229 HydrophobicContact CD2-CG2 3.96Å; L128-L232 HydrophobicContact CB-CD1 4.28Å; L128-L232 HydrophobicContact CD2-CD1 3.99Å; L128-R299 PolarHBondContact N-O 3.34Å; L128-R299 VanDerWaalsContact N-O 3.15Å; L128-C300 HydrophobicContact CB-CB 4.1Å; L128-C300 HydrophobicContact CD2-CB 4.19Å; L128-C300 CarbonylContact O-C 3.46Å; L128-C300 VanDerWaalsContact O-CA 3.29Å; L128-C300 WeakPolarHBondContact O-CA 3.45Å; L128-Y301 PolarHBondContact O-N 2.76Å
129A91Very high79.7Confident2 Ų252 Ų522%0.01728%0.278CS..EExtended strand (participates in β ladder)trans-122.8135.5163.500000109.5F121 Y205 C206 Y301F121-A129 HydrophobicContact CB-CB 3.92Å; F121-A129 HydrophobicContact CD2-CB 3.93Å; F121-A129 HydrophobicContact CG-CB 4.43Å; A129-Y205 CarbonylContact O-C 3.53Å; A129-Y205 WeakPolarHBondContact O-CA 3.41Å; A129-C206 HydrophobicContact CB-CB 4.14Å; A129-C206 PolarHBondContact N-O 3.15Å; A129-C206 PolarHBondContact O-N 2.8Å; A129-Y301 WeakPolarHBondContact CA-O 3.34Å
130M91.3Very high78Confident1 Ų152 Ų521%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-132153-179.270.8-176.6-73.700113.2M132 L167 M170 L204 Y205 I229 Y301 V302 H303M130-M132 HydrophobicContact CE-CE 4.2Å; M130-M132 HydrophobicContact CE-CG 3.8Å; M130-M132 HydrophobicContact CE-SD 3.91Å; M130-L167 HydrophobicContact SD-CD2 3.98Å; M130-M170 HydrophobicContact CE-CE 3.54Å; M130-M170 HydrophobicContact SD-CE 3.61Å; M130-L204 WeakPolarHBondContact CA-O 3.37Å; M130-Y205 HydrophobicContact CB-CD1 3.58Å; M130-Y205 HydrophobicContact CB-CE1 3.84Å; M130-Y205 HydrophobicContact CE-CE1 4.01Å; M130-I229 HydrophobicContact CE-CD1 4.23Å; M130-I229 HydrophobicContact SD-CD1 4.2Å; M130-I229 HydrophobicContact SD-CG2 4.21Å; M130-Y301 PolarHBondContact N-O 3.46Å; M130-V302 HydrophobicContact CG-CB 4.07Å; M130-V302 HydrophobicContact CG-CG2 3.98Å; M130-V302 CarbonylContact O-C 3.57Å; M130-V302 WeakPolarHBondContact O-CA 3.23Å; M130-H303 PolarHBondContact O-N 2.83Å
131L90Very high76.6Confident0 Ų055.4 Ų55.40%030%0.299CS..EExtended strand (participates in β ladder)trans-100.3130.6175.3-177.763.7000111.1T110 V112 V117 A202 L204 H303 M305T110-L131 HydrophobicContact CG2-CD2 4.29Å; V112-L131 HydrophobicContact CB-CD2 4.38Å; V112-L131 HydrophobicContact CG1-CD1 4.39Å; V112-L131 HydrophobicContact CG2-CD2 4.3Å; V117-L131 HydrophobicContact CG2-CB 4.13Å; V117-L131 HydrophobicContact CG2-CD1 4.3Å; L131-A202 HydrophobicContact CB-CB 4Å; L131-A202 HydrophobicContact CD2-CB 3.92Å; L131-A202 HydrophobicContact CG-CB 3.87Å; L131-A202 WeakPolarHBondContact O-CB 3.24Å; L131-A202 PolarHBondContact O-N 3.17Å; L131-L204 HydrophobicContact CB-CB 3.99Å; L131-L204 HydrophobicContact CB-CD2 3.98Å; L131-L204 HydrophobicContact CB-CG 4.35Å; L131-L204 HydrophobicContact CD2-CB 4.48Å; L131-L204 HydrophobicContact CD2-CD2 3.78Å; L131-L204 PolarHBondContact N-O 3.11Å; L131-H303 HydrophobicContact CD1-CB 4.21Å; L131-M305 HydrophobicContact CD1-CB 4.39Å
132M87.1Confident75.3Confident0 Ų056.6 Ų56.60%031%0.306CS..EExtended strand (participates in β ladder)trans-127.8148.8171.6-60-166.691.500110.7M130 I158 M170 L199 D201 V302 H303 M305M130-M132 HydrophobicContact CE-CE 4.2Å; M130-M132 HydrophobicContact CE-CG 3.8Å; M130-M132 HydrophobicContact CE-SD 3.91Å; M132-I158 HydrophobicContact CE-CD1 3.74Å; M132-I158 HydrophobicContact CE-CG1 3.65Å; M132-I158 HydrophobicContact SD-CD1 4.22Å; M132-I158 HydrophobicContact SD-CG1 4.02Å; M132-I158 HydrophobicContact SD-CG2 3.97Å; M132-M170 HydrophobicContact SD-CE 4.47Å; M132-L199 HydrophobicContact CE-CB 4.03Å; M132-L199 HydrophobicContact SD-CB 4.45Å; M132-L199 HydrophobicContact SD-CD1 4.31Å; M132-D201 HydrophobicContact CE-CB 4.09Å; M132-V302 HydrophobicContact CB-CG2 4.02Å; M132-V302 HydrophobicContact CG-CG2 3.55Å; M132-V302 HydrophobicContact SD-CG2 3.75Å; M132-H303 PolarHBondContact N-O 3.42Å; M132-M305 PolarHBondContact O-N 2.88Å
133R85.3Confident73.9Confident26 Ų2650.9 Ų50.910%0.09829%0.285CS..EExtended strand (participates in β ladder)trans-123.2150.5175.2-169.5-166.3-178.2-171.8-3.7109.6G135 Q136 L199 V200 M305 G308 C310R133-G135 PolarHBondContact O-N 2.92Å; R133-Q136 VanDerWaalsContact NH2-OE1 3.09Å; R133-L199 CarbonylContact O-C 3.58Å; R133-L199 WeakPolarHBondContact O-CA 2.92Å; R133-V200 PolarHBondContact N-O 3.07Å; R133-V200 PolarHBondContact O-N 3.25Å; R133-M305 HydrophobicContact CB-SD 4.47Å; R133-M305 HydrophobicContact CG-SD 3.99Å; R133-G308 PolarHBondContact NH2-O 2.87Å; R133-C310 HydrophobicContact CB-CB 4.34Å; R133-C310 WeakPolarHBondContact CD-O 3.01Å; R133-C310 HydrophobicContact CG-CB 4.37Å; R133-C310 PolarHBondContact NH1-O 3.21Å
134K79.4Confident72.4Confident110 Ų11048.2 Ų48.248%0.47827%0.265SS..EExtended strand (participates in β ladder)trans-66121.8162.9-64.2179.3-177.1179.40109.9Q136 D198 L199K134-Q136 PolarHBondContact O-N 2.98Å; K134-D198 CarbonylContact C-O 3.45Å; K134-D198 WeakPolarHBondContact CA-O 3.19Å; K134-L199 HydrophobicContact CG-CD2 3.78Å
135G66.1Low71.5Confident34 Ų3450 Ų5035%0.35128%0.275SS..PPolyproline II helixtrans-52.4134.917000000109.9R133 D198R133-G135 PolarHBondContact O-N 2.92Å; G135-D198 PolarHBondContact N-O 2.85Å
136Q59.9Low69.5Low100 Ų10053.5 Ų53.547%0.46729%0.287SS..PPolyproline II helixtrans-90.6130.1172.7-65.7-170-60.300107.6R133 K134 S138R133-Q136 VanDerWaalsContact NH2-OE1 3.09Å; K134-Q136 PolarHBondContact O-N 2.98Å; Q136-S138 PolarHBondContact O-N 2.64Å; Q136-S138 VanDerWaalsContact O-N 3.12Å
137D52.4Low67.5Low148 Ų14856.1 Ų56.179%0.79131%0.314SS*.PPolyproline II helixtrans-58.5118.4170.9-74-44.5000108.5L139D137-L139 PolarHBondContact O-N 3.2Å
138S52.2Low65Low82 Ų8266.6 Ų66.657%0.57336%0.359SS*.  trans-63.7103.6172.538.30000108.6Q136 E140Q136-S138 PolarHBondContact O-N 2.64Å; Q136-S138 VanDerWaalsContact O-N 3.12Å; S138-E140 VanDerWaalsContact C-N 3.25Å; S138-E140 PolarHBondContact O-N 2.77Å
139L49.7Very low62.6Low157 Ų15775.1 Ų75.182%0.82240%0.396SS*.  trans-75.1-12-176.9-108.496.3000113.5D137D137-L139 PolarHBondContact O-N 3.2Å
140E52.8Low60.2Low75 Ų7583.7 Ų83.735%0.3543%0.433SS..SBendtrans-125.5145.6-171-74.8174-158.400112.3S138 V142 R324 N389S138-E140 VanDerWaalsContact C-N 3.25Å; S138-E140 PolarHBondContact O-N 2.77Å; E140-V142 PolarHBondContact O-N 2.91Å; E140-R324 VanDerWaalsContact CD-NH1 3.29Å; E140-R324 IonicContact OE1-CZ 2.88Å; E140-R324 IonicContact OE1-NH1 3.55Å; E140-R324 PolarHBondContact OE1-NH1 3.42Å; E140-R324 IonicContact OE1-NH2 3.86Å; E140-R324 IonicContact OE2-NH1 3.63Å; E140-N389 PolarHBondContact OE2-ND2 2.82Å
141P56.8Low57.9Low86 Ų8686.3 Ų86.356%0.55846%0.455SS*.PPolyproline II helixtrans-61.8134-178.326.1-33.1000110P143P141-P143 VanDerWaalsContact O-CD 3.27Å; P141-P143 WeakPolarHBondContact O-CD 3.45Å
142V61.2Low55.9Low32 Ų3291.9 Ų91.919%0.19449%0.489CS..PPolyproline II helixtrans-71.4124.8173-174.30000108.2E140 Q145 L316E140-V142 PolarHBondContact O-N 2.91Å; V142-Q145 PolarHBondContact O-N 2.93Å; V142-L316 HydrophobicContact CG1-CB 4.16Å; V142-L316 HydrophobicContact CG1-CD2 3.92Å; V142-L316 HydrophobicContact CG1-CG 4.1Å
143P58.3Low54.3Low4 Ų496.7 Ų96.73%0.02651%0.511CS..THydrogen-bonded Turntrans-51.5138.7175.5-3743.6000113.7P141 M320 G406 D423P141-P143 VanDerWaalsContact O-CD 3.27Å; P141-P143 WeakPolarHBondContact O-CD 3.45Å; P143-M320 HydrophobicContact CB-CE 3.67Å; P143-M320 HydrophobicContact CB-SD 4.5Å; P143-M320 WeakPolarHBondContact CD-SD 3.42Å; P143-M320 HydrophobicContact CG-CE 3.22Å; P143-M320 HydrophobicContact CG-SD 3.44Å; P143-M320 WeakPolarHBondContact CG-SD 3.41Å; P143-G406 WeakPolarHBondContact CG-O 3.27Å; P143-D423 CarbonylContact C-O 3.4Å; P143-D423 VanDerWaalsContact CA-O 3.24Å; P143-D423 WeakPolarHBondContact CA-O 3.31Å; P143-D423 WeakPolarHBondContact CB-O 3.44Å
144G55.6Low53.1Low17 Ų1799.5 Ų99.518%0.17553%0.525CS..THydrogen-bonded Turntrans84.2-4176.600000116.2K146 D423G144-K146 PolarHBondContact O-N 2.87Å; G144-D423 PolarHBondContact N-O 2.62Å
145Q61.5Low52.8Low91 Ų91100.5 Ų100.543%0.42553%0.526SS..  trans-91.1104.1176.2-71.5-169.3-600112.3V142 G147V142-Q145 PolarHBondContact O-N 2.93Å; Q145-G147 PolarHBondContact O-N 3.43Å
146K41.8Very low53.5Low157 Ų15799.3 Ų99.368%0.68351%0.512SS*.  trans-71.392.4165.9-76.7-177.6-179.6170.20109.9G144 N440 E441G144-K146 PolarHBondContact O-N 2.87Å; K146-N440 HydrophobicContact CG-CB 4.36Å; K146-E441 IonicContact NZ-OE1 3.26Å; K146-E441 PolarHBondContact NZ-OE1 3.49Å; K146-E441 VanDerWaalsContact NZ-OE1 3.15Å
147G44Very low54.8Low55 Ų5597.3 Ų97.357%0.56750%0.502SS*.SBendtrans123.8158.6163.200000115.4Q145 K149Q145-G147 PolarHBondContact O-N 3.43Å; G147-K149 PolarHBondContact O-N 3.14Å
148K38.1Very low56.5Low220 Ų22090.2 Ų90.296%0.95746%0.464SS*.SBendtrans-68.153.3173.6-67.6-178.5176.2178.40112.4
149K39.6Very low58.3Low181 Ų18186.3 Ų86.379%0.78744%0.437SS*.  trans-97.3100.3160.3-73.9-171.4177.5-179.10105.6G147 A151G147-K149 PolarHBondContact O-N 3.14Å; K149-A151 PolarHBondContact O-N 2.83Å
150K40.9Very low60.2Low182 Ų18278.9 Ų78.979%0.79140%0.397SS*.  trans-45114.9157.4-80.6-177.2172.5-173.70104.9V152K150-V152 VanDerWaalsContact C-N 3.34Å; K150-V152 PolarHBondContact O-N 3.48Å
151A44.1Very low61.8Low56 Ų5676.2 Ų76.246%0.46339%0.386SS..  trans-51114.1162.700000103.9K149 E153K149-A151 PolarHBondContact O-N 2.83Å; A151-E153 PolarHBondContact O-N 3.16Å
152V46.8Very low63.1Low116 Ų11676 Ų7670%0.70339%0.387SS*.  trans-64.791.7-179.9177.80000103.9K150 Q154K150-V152 VanDerWaalsContact C-N 3.34Å; K150-V152 PolarHBondContact O-N 3.48Å; V152-Q154 VanDerWaalsContact C-N 3.32Å; V152-Q154 PolarHBondContact O-N 3.2Å
153E53.7Low64.1Low102 Ų10278.1 Ų78.148%0.47740%0.399SS..  trans-57109.7163.6-74.3-175.6161.300103.8A151 R155A151-E153 PolarHBondContact O-N 3.16Å; E153-R155 PolarHBondContact O-N 2.77Å
154Q60.9Low65Low84 Ų8479 Ų7939%0.39341%0.41SS..  trans-45.8108.4166.5-74.4173.4-31.300106.4V152V152-Q154 VanDerWaalsContact C-N 3.32Å; V152-Q154 PolarHBondContact O-N 3.2Å
155R71.4Confident66.4Low131 Ų13182.2 Ų82.249%0.49442%0.418SS..  trans-81.8136.9-176.2-89168.7175.7171.6-9.7109.3E153 E173E153-R155 PolarHBondContact O-N 2.77Å; R155-E173 PolarHBondContact N-OE2 3.34Å; R155-E173 VanDerWaalsContact N-OE2 3.07Å; R155-E173 VanDerWaalsContact O-CB 3.3Å; R155-E173 WeakPolarHBondContact O-CB 3.49Å; R155-E173 PolarHBondContact O-N 2.93Å
156D80.7Confident67.6Low9 Ų978.3 Ų78.35%0.04840%0.4CS..EExtended strand (participates in β ladder)trans-91.9132.3171.2-67.3-20.4000109.8I158 R225D156-I158 HydrophobicContact CB-CD1 3.88Å; D156-I158 HydrophobicContact CB-CG1 4.06Å; D156-R225 IonicContact OD1-CZ 3.89Å; D156-R225 IonicContact OD1-NH2 3.15Å; D156-R225 PolarHBondContact OD1-NH2 3.26Å; D156-R225 IonicContact OD2-CZ 2.76Å; D156-R225 IonicContact OD2-NH1 3.74Å; D156-R225 PolarHBondContact OD2-NH1 2.94Å; D156-R225 IonicContact OD2-NH2 3.74Å; D156-R225 PolarHBondContact OD2-NH2 3.26Å
157F87.3Confident69.9Low58 Ų5870.9 Ų70.925%0.25437%0.367SS..EExtended strand (participates in β ladder)trans-95.3106.6168.4-63-79.2000109F169 M170 A171 E173 L176 L180 T197F157-F169 HydrophobicContact CB-CE1 4.36Å; F157-M170 WeakPolarHBondContact O-CA 2.87Å; F157-A171 PolarHBondContact N-O 2.94Å; F157-A171 PolarHBondContact O-N 3.42Å; F157-A171 VanDerWaalsContact O-N 3.12Å; F157-E173 HydrophobicContact CE2-CB 4.17Å; F157-L176 HydrophobicContact CD2-CD1 3.42Å; F157-L176 VanDerWaalsContact CD2-CD1 3.42Å; F157-L176 HydrophobicContact CE2-CD1 3.73Å; F157-L176 HydrophobicContact CG-CD1 4.4Å; F157-L180 HydrophobicContact CB-CD1 4.31Å; F157-L180 HydrophobicContact CG-CD1 4.43Å; F157-T197 HydrophobicContact CD1-CG2 3.91Å; F157-T197 HydrophobicContact CE1-CG2 3.85Å
158I89.1Confident71.9Confident0 Ų068.3 Ų68.30%034%0.341CS..EExtended strand (participates in β ladder)trans-110.1116.3-178.1-51.6-58.2000109.6M132 D156 V160 L167 M170 F195 H196 L199M132-I158 HydrophobicContact CE-CD1 3.74Å; M132-I158 HydrophobicContact CE-CG1 3.65Å; M132-I158 HydrophobicContact SD-CD1 4.22Å; M132-I158 HydrophobicContact SD-CG1 4.02Å; M132-I158 HydrophobicContact SD-CG2 3.97Å; D156-I158 HydrophobicContact CB-CD1 3.88Å; D156-I158 HydrophobicContact CB-CG1 4.06Å; I158-V160 HydrophobicContact CG2-CG1 3.94Å; I158-L167 HydrophobicContact CG2-CD1 3.65Å; I158-M170 HydrophobicContact CD1-CB 4.19Å; I158-M170 HydrophobicContact CD1-CE 3.58Å; I158-M170 HydrophobicContact CD1-CG 3.65Å; I158-M170 HydrophobicContact CD1-SD 4.34Å; I158-F195 CarbonylContact O-C 3.58Å; I158-F195 WeakPolarHBondContact O-CA 3.19Å; I158-H196 PolarHBondContact N-O 3.27Å; I158-H196 PolarHBondContact O-N 2.72Å; I158-L199 HydrophobicContact CB-CD1 4.21Å; I158-L199 HydrophobicContact CG1-CB 4.3Å; I158-L199 HydrophobicContact CG2-CD1 4.19Å
159G89.9Confident74.3Confident0 Ų059.2 Ų59.20%030%0.301CS..EExtended strand (participates in β ladder)trans-98.6113.9172.400000110.7L168 F169G159-L168 PolarHBondContact O-N 3.24Å; G159-F169 PolarHBondContact N-O 2.78Å; G159-F169 PolarHBondContact O-N 2.97Å
160V89.4Confident76.6Confident0 Ų051.3 Ų51.30%027%0.267CS..EExtended strand (participates in β ladder)trans-110156.7175-58.80000111.6I158 R166 R194 V302 I304I158-V160 HydrophobicContact CG2-CG1 3.94Å; V160-R166 WeakPolarHBondContact CA-O 3.41Å; V160-R194 HydrophobicContact CG2-CB 4.01Å; V160-R194 PolarHBondContact N-O 3.43Å; V160-R194 PolarHBondContact O-N 3.09Å; V160-V302 HydrophobicContact CG1-CG1 3.63Å; V160-I304 HydrophobicContact CG1-CD1 4.11Å; V160-I304 HydrophobicContact CG2-CD1 4.28Å
161D87.3Confident78.7Confident20 Ų2043.3 Ų43.311%0.10724%0.235CC..EExtended strand (participates in β ladder)trans-63163.4170.6174.944.7000111.7T163 G164 R166 L168D161-T163 PolarHBondContact O-N 2.95Å; D161-T163 VanDerWaalsContact O-N 3.16Å; D161-T163 WeakPolarHBondContact OD2-CB 3.48Å; D161-T163 WeakPolarHBondContact OD2-CG2 3.39Å; D161-T163 PolarHBondContact OD2-N 2.9Å; D161-T163 PolarHBondContact OD2-OG1 3.45Å; D161-G164 WeakPolarHBondContact O-CA 3.34Å; D161-G164 PolarHBondContact O-N 3.25Å; D161-R166 HydrophobicContact CB-CB 4Å; D161-R166 PolarHBondContact N-O 3.43Å; D161-L168 HydrophobicContact CB-CD1 4.1Å; D161-L168 HydrophobicContact CB-CG 4.41Å
162S82.9Confident80.5Confident82 Ų8241.5 Ų41.557%0.57322%0.218SC*.THydrogen-bonded Turntrans-50.2-31.9172.162.30000114.6G164S162-G164 VanDerWaalsContact C-N 3.29Å
163T81.8Confident82.1Confident76 Ų7640 Ų4047%0.46620%0.203SC..THydrogen-bonded Turntrans-73.1-19.6174.157.30000113.5D161 K165D161-T163 PolarHBondContact O-N 2.95Å; D161-T163 VanDerWaalsContact O-N 3.16Å; D161-T163 WeakPolarHBondContact OD2-CB 3.48Å; D161-T163 WeakPolarHBondContact OD2-CG2 3.39Å; D161-T163 PolarHBondContact OD2-N 2.9Å; D161-T163 PolarHBondContact OD2-OG1 3.45Å; T163-K165 VanDerWaalsContact C-N 3.28Å; T163-K165 PolarHBondContact O-N 3.08Å
164G79Confident83.1Confident23 Ų2338 Ų3824%0.23720%0.204CC..SBendtrans76.19.5-177.400000114.8D161 S162D161-G164 WeakPolarHBondContact O-CA 3.34Å; D161-G164 PolarHBondContact O-N 3.25Å; S162-G164 VanDerWaalsContact C-N 3.29Å
165K84Confident83.7Confident83 Ų8339.2 Ų39.236%0.36121%0.213SC..  trans-106.9-32.6-178-66.5-175.8176.4-1720114L120 Y124 T163 Y301 V302L120-K165 HydrophobicContact CD2-CD 3.79Å; L120-K165 HydrophobicContact CD2-CG 4.45Å; Y124-K165 HydrophobicContact CE2-CD 4.26Å; T163-K165 VanDerWaalsContact C-N 3.28Å; T163-K165 PolarHBondContact O-N 3.08Å; K165-Y301 HydrophobicContact CB-CD1 4.24Å; K165-Y301 CarbonylContact O-C 3.49Å; K165-Y301 VanDerWaalsContact O-CA 3.3Å; K165-Y301 WeakPolarHBondContact O-CA 3.39Å; K165-Y301 WeakPolarHBondContact O-CD1 3.23Å; K165-V302 WeakPolarHBondContact CA-O 3.46Å; K165-V302 PolarHBondContact O-N 3.49Å
166R87.1Confident83.7Confident10 Ų1035.1 Ų35.14%0.03820%0.201CC..BIsolated β-bridgetrans-94.9131.2-176.4-169.7173.5-177.4151.10.7110.7V160 D161 L168 Y190 D288 Y301V160-R166 WeakPolarHBondContact CA-O 3.41Å; D161-R166 HydrophobicContact CB-CB 4Å; D161-R166 PolarHBondContact N-O 3.43Å; R166-L168 HydrophobicContact CG-CD2 4.17Å; R166-Y190 PolarHBondContact NH1-OH 2.83Å; R166-D288 IonicContact NH1-OD1 2.76Å; R166-D288 PolarHBondContact NH1-OD1 2.92Å; R166-Y301 HydrophobicContact CB-CD1 4.41Å; R166-Y301 HydrophobicContact CB-CE1 4.22Å; R166-Y301 HydrophobicContact CG-CE1 4.5Å
167L88.9Confident83.5Confident0 Ų042.2 Ų42.20%024%0.239CC..EExtended strand (participates in β ladder)trans-87.5118.7176.9-176.966.5000109.6M130 I158 F169 M170 I229 V233 Q236 C300 V302M130-L167 HydrophobicContact SD-CD2 3.98Å; I158-L167 HydrophobicContact CG2-CD1 3.65Å; L167-F169 WeakPolarHBondContact CD1-O 3.31Å; L167-M170 HydrophobicContact CD1-CE 4.3Å; L167-M170 HydrophobicContact CD2-CE 3.76Å; L167-I229 HydrophobicContact CD2-CG2 3.95Å; L167-V233 HydrophobicContact CD2-CG2 3.5Å; L167-V233 HydrophobicContact CG-CG2 3.87Å; L167-Q236 PolarHBondContact O-NE2 3.41Å; L167-Q236 PolarHBondContact O-OE1 3.07Å; L167-C300 HydrophobicContact CB-CB 4.48Å; L167-C300 PolarHBondContact N-O 3.41Å; L167-C300 VanDerWaalsContact N-O 3.13Å; L167-V302 HydrophobicContact CB-CG1 4.3Å
168L87.3Confident82.9Confident1 Ų149 Ų491%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-105.9-31.1-177.7-57.8179000112.4G159 D161 R166 Y190 I193 V233 F237G159-L168 PolarHBondContact O-N 3.24Å; D161-L168 HydrophobicContact CB-CD1 4.1Å; D161-L168 HydrophobicContact CB-CG 4.41Å; R166-L168 HydrophobicContact CG-CD2 4.17Å; L168-Y190 HydrophobicContact CD1-CD1 4.2Å; L168-Y190 HydrophobicContact CD1-CD2 4.49Å; L168-Y190 HydrophobicContact CD1-CG 3.88Å; L168-Y190 HydrophobicContact CD2-CD1 4.11Å; L168-Y190 HydrophobicContact CD2-CD2 3.85Å; L168-Y190 HydrophobicContact CD2-CE1 4.29Å; L168-Y190 HydrophobicContact CD2-CE2 4.08Å; L168-Y190 HydrophobicContact CD2-CG 3.89Å; L168-I193 HydrophobicContact CD1-CB 4.5Å; L168-I193 HydrophobicContact CD1-CD1 4.18Å; L168-I193 HydrophobicContact CD1-CG1 3.81Å; L168-I193 HydrophobicContact CD1-CG2 4.33Å; L168-V233 WeakPolarHBondContact O-CG1 3.44Å; L168-F237 HydrophobicContact CB-CZ 4.38Å; L168-F237 HydrophobicContact CD2-CE1 4.1Å; L168-F237 HydrophobicContact CD2-CZ 3.58Å; L168-F237 WeakPolarHBondContact O-CE2 3.27Å
169F88.6Confident82.5Confident29 Ų2956.3 Ų56.313%0.12731%0.306CS..EExtended strand (participates in β ladder)trans-149.3140.3-177.7-176.9-88.5000110.7F157 G159 L167 A171 L180 F195F157-F169 HydrophobicContact CB-CE1 4.36Å; G159-F169 PolarHBondContact N-O 2.78Å; G159-F169 PolarHBondContact O-N 2.97Å; L167-F169 WeakPolarHBondContact CD1-O 3.31Å; F169-A171 HydrophobicContact CE1-CB 3.55Å; F169-A171 HydrophobicContact CZ-CB 3.58Å; F169-L180 HydrophobicContact CE1-CD1 3.52Å; F169-L180 HydrophobicContact CE1-CD2 4.35Å; F169-L180 HydrophobicContact CE1-CG 4.19Å; F169-L180 HydrophobicContact CZ-CD1 3.5Å; F169-L180 VanDerWaalsContact CZ-CD1 3.5Å; F169-L180 HydrophobicContact CZ-CG 4.01Å; F169-F195 HydrophobicContact CB-CE1 4.4Å; F169-F195 AromaticContact CD1-CE1 3.94Å; F169-F195 HydrophobicContact CD1-CE1 3.94Å; F169-F195 HydrophobicContact CG-CE1 4.35Å
170M87.3Confident82.2Confident15 Ų1559.5 Ų59.57%0.07432%0.322CS..EExtended strand (participates in β ladder)trans-147.1127.4172178.5177.4-73.500108.3M130 M132 F157 I158 L167 I229M130-M170 HydrophobicContact CE-CE 3.54Å; M130-M170 HydrophobicContact SD-CE 3.61Å; M132-M170 HydrophobicContact SD-CE 4.47Å; F157-M170 WeakPolarHBondContact O-CA 2.87Å; I158-M170 HydrophobicContact CD1-CB 4.19Å; I158-M170 HydrophobicContact CD1-CE 3.58Å; I158-M170 HydrophobicContact CD1-CG 3.65Å; I158-M170 HydrophobicContact CD1-SD 4.34Å; L167-M170 HydrophobicContact CD1-CE 4.3Å; L167-M170 HydrophobicContact CD2-CE 3.76Å; M170-I229 HydrophobicContact CE-CG2 3.89Å; M170-I229 HydrophobicContact SD-CB 4.04Å; M170-I229 HydrophobicContact SD-CG2 3.48Å; M170-I229 WeakPolarHBondContact SD-CG2 3.46Å
171A84.6Confident81.9Confident15 Ų1564.9 Ų64.912%0.12436%0.355CS..EExtended strand (participates in β ladder)trans-146.8146.3169.900000109.8F157 F169 L176F157-A171 PolarHBondContact N-O 2.94Å; F157-A171 PolarHBondContact O-N 3.42Å; F157-A171 VanDerWaalsContact O-N 3.12Å; F169-A171 HydrophobicContact CE1-CB 3.55Å; F169-A171 HydrophobicContact CZ-CB 3.58Å; A171-L176 HydrophobicContact CB-CD1 3.85Å; A171-L176 HydrophobicContact CB-CD2 3.93Å; A171-L176 HydrophobicContact CB-CG 3.98Å
172N81.8Confident81.9Confident18 Ų1866.3 Ų66.310%0.09636%0.362CS..EExtended strand (participates in β ladder)trans-91141.5172.6-174.8-8.3000108.7A174 D175 L176N172-A174 PolarHBondContact O-N 2.83Å; N172-A174 PolarHBondContact OD1-N 3.04Å; N172-D175 PolarHBondContact O-N 2.8Å; N172-L176 WeakPolarHBondContact O-CG 3.48Å; N172-L176 PolarHBondContact O-N 2.89Å
173E80.6Confident82Confident83 Ų8368.8 Ų68.839%0.38836%0.363SS..G310 helixtrans-52-34171.5-177.6177.4-159.800112.8R155 F157 D175 L176R155-E173 PolarHBondContact N-OE2 3.34Å; R155-E173 VanDerWaalsContact N-OE2 3.07Å; R155-E173 VanDerWaalsContact O-CB 3.3Å; R155-E173 WeakPolarHBondContact O-CB 3.49Å; R155-E173 PolarHBondContact O-N 2.93Å; F157-E173 HydrophobicContact CE2-CB 4.17Å; E173-D175 VanDerWaalsContact C-N 3.27Å; E173-D175 PolarHBondContact O-N 2.72Å; E173-L176 PolarHBondContact O-N 3.48Å
174A75.1Confident82.1Confident61 Ų6167.2 Ų67.250%0.50436%0.362SS..G310 helixtrans-68.8-23.5179.100000114.4N172N172-A174 PolarHBondContact O-N 2.83Å; N172-A174 PolarHBondContact OD1-N 3.04Å
175D73.1Confident82.3Confident109 Ų10968.7 Ų68.758%0.58337%0.368SS*.G310 helixtrans-99.6-2.4-179-56.6-34.2000111.8N172 E173N172-D175 PolarHBondContact O-N 2.8Å; E173-D175 VanDerWaalsContact C-N 3.27Å; E173-D175 PolarHBondContact O-N 2.72Å
176L73.1Confident82.4Confident45 Ų4565.4 Ų65.424%0.23636%0.355CS..  trans-100.2138.4179.6-70.1169.8000109.6F157 A171 N172 E173 L180F157-L176 HydrophobicContact CD2-CD1 3.42Å; F157-L176 VanDerWaalsContact CD2-CD1 3.42Å; F157-L176 HydrophobicContact CE2-CD1 3.73Å; F157-L176 HydrophobicContact CG-CD1 4.4Å; A171-L176 HydrophobicContact CB-CD1 3.85Å; A171-L176 HydrophobicContact CB-CD2 3.93Å; A171-L176 HydrophobicContact CB-CG 3.98Å; N172-L176 WeakPolarHBondContact O-CG 3.48Å; N172-L176 PolarHBondContact O-N 2.89Å; E173-L176 PolarHBondContact O-N 3.48Å; L176-L180 HydrophobicContact CD1-CD1 3.7Å; L176-L180 HydrophobicContact CD2-CD1 4.05Å
177D75.1Confident82.2Confident159 Ų15968.9 Ų68.985%0.8537%0.373SS*.  trans-75.5-145.2164.5-61.5-45.8000109.3E179D177-E179 VanDerWaalsContact C-N 3.29Å; D177-E179 PolarHBondContact O-N 3.1Å
178E74.3Confident82.1Confident200 Ų20076.9 Ų76.994%0.93541%0.411SS*.SBendtrans-75-15.3179.4-61.6-173.5173.500113.7
179E82Confident81.8Confident153 Ų15382.5 Ų82.572%0.71544%0.435SS*.SBendtrans-128.7143.1-170.2-62.8-176.1176.300114D177D177-E179 VanDerWaalsContact C-N 3.29Å; D177-E179 PolarHBondContact O-N 3.1Å
180L82.7Confident81.5Confident67 Ų6782.3 Ų82.335%0.35143%0.434SS..  trans-92.1109.8174-168.781.6000110.7F157 F169 L176 I182 F195F157-L180 HydrophobicContact CB-CD1 4.31Å; F157-L180 HydrophobicContact CG-CD1 4.43Å; F169-L180 HydrophobicContact CE1-CD1 3.52Å; F169-L180 HydrophobicContact CE1-CD2 4.35Å; F169-L180 HydrophobicContact CE1-CG 4.19Å; F169-L180 HydrophobicContact CZ-CD1 3.5Å; F169-L180 VanDerWaalsContact CZ-CD1 3.5Å; F169-L180 HydrophobicContact CZ-CG 4.01Å; L176-L180 HydrophobicContact CD1-CD1 3.7Å; L176-L180 HydrophobicContact CD2-CD1 4.05Å; L180-I182 HydrophobicContact CD2-CD1 4.06Å; L180-I182 HydrophobicContact CD2-CG1 4.31Å; L180-F195 HydrophobicContact CD2-CE1 4.14Å; L180-F195 HydrophobicContact CD2-CZ 4.42Å
181V84.6Confident81.4Confident113 Ų11386.9 Ų86.969%0.68546%0.464SS*.  trans-91.4116.3-179.2-176.80000111.6
182I86Confident81.5Confident51 Ų5195.2 Ų95.226%0.26249%0.493SS..  trans-112.8128.2174.2-58.6164.4000109.5L180 G184 L187 F195L180-I182 HydrophobicContact CD2-CD1 4.06Å; L180-I182 HydrophobicContact CD2-CG1 4.31Å; I182-G184 PolarHBondContact O-N 3.16Å; I182-L187 HydrophobicContact CG2-CD1 4.38Å; I182-L187 HydrophobicContact CG2-CD2 4.5Å; I182-L187 HydrophobicContact CG2-CG 4.18Å; I182-F195 HydrophobicContact CD1-CE1 4.37Å; I182-F195 HydrophobicContact CD1-CE2 3.98Å; I182-F195 HydrophobicContact CD1-CZ 3.44Å; I182-F195 VanDerWaalsContact CD1-CZ 3.44Å; I182-F195 HydrophobicContact CG1-CZ 4.41Å
183K84.6Confident81.9Confident134 Ų13495.9 Ų95.958%0.58350%0.496SS*.  trans-68.4127.7176.4-66.6-174.5178.5-176.20110.6S185 I186K183-S185 PolarHBondContact O-N 3.43Å; K183-S185 VanDerWaalsContact O-N 3.12Å; K183-I186 HydrophobicContact CB-CD1 4.11Å; K183-I186 HydrophobicContact CB-CG1 4.17Å; K183-I186 WeakPolarHBondContact O-CB 3.24Å; K183-I186 PolarHBondContact O-N 3.27Å
184G84.3Confident82.4Confident43 Ų4399.9 Ų99.944%0.44351%0.508SS..Hα-helixtrans-57.9-26.8177.300000114.1I182 I186 L187 Q188I182-G184 PolarHBondContact O-N 3.16Å; G184-I186 VanDerWaalsContact C-N 3.25Å; G184-I186 PolarHBondContact O-N 3.17Å; G184-L187 PolarHBondContact O-N 3.46Å; G184-Q188 WeakPolarHBondContact O-CG 3.26Å; G184-Q188 PolarHBondContact O-N 3.33Å
185S84Confident83.1Confident54 Ų54101 Ų10138%0.37850%0.501SS..Hα-helixtrans-63.2-29.2174.556.30000113.5K183 K189K183-S185 PolarHBondContact O-N 3.43Å; K183-S185 VanDerWaalsContact O-N 3.12Å; S185-K189 PolarHBondContact O-N 3.5Å
186I84.8Confident83.8Confident14 Ų1497.3 Ų97.37%0.07248%0.48CS..Hα-helixtrans-71.3-44.7175.1-56.8172.4000109.1K183 G184 Q188 K189 Y190 I193 F237K183-I186 HydrophobicContact CB-CD1 4.11Å; K183-I186 HydrophobicContact CB-CG1 4.17Å; K183-I186 WeakPolarHBondContact O-CB 3.24Å; K183-I186 PolarHBondContact O-N 3.27Å; G184-I186 VanDerWaalsContact C-N 3.25Å; G184-I186 PolarHBondContact O-N 3.17Å; I186-Q188 VanDerWaalsContact C-N 3.3Å; I186-Q188 PolarHBondContact O-N 3.08Å; I186-K189 PolarHBondContact O-N 2.89Å; I186-K189 VanDerWaalsContact O-N 3.16Å; I186-Y190 PolarHBondContact O-N 3.04Å; I186-I193 HydrophobicContact CG2-CD1 4.01Å; I186-F237 HydrophobicContact CD1-CD2 3.92Å; I186-F237 HydrophobicContact CD1-CE2 4.28Å; I186-F237 HydrophobicContact CD1-CG 4.5Å; I186-F237 HydrophobicContact CG1-CB 4.31Å; I186-F237 HydrophobicContact CG1-CD2 3.86Å; I186-F237 HydrophobicContact CG1-CE2 4.37Å; I186-F237 HydrophobicContact CG1-CG 3.95Å; I186-F237 HydrophobicContact CG2-CE2 4.43Å; I186-F237 HydrophobicContact CG2-CZ 4.38Å
187L84.8Confident84.5Confident82 Ų8298 Ų9843%0.42949%0.486SS..Hα-helixtrans-65.7-30.9179.1-65.2172.7000113I182 G184 Y190 P191 I193I182-L187 HydrophobicContact CG2-CD1 4.38Å; I182-L187 HydrophobicContact CG2-CD2 4.5Å; I182-L187 HydrophobicContact CG2-CG 4.18Å; G184-L187 PolarHBondContact O-N 3.46Å; L187-Y190 CarbonylContact O-C 3.55Å; L187-P191 WeakPolarHBondContact O-CA 3.39Å; L187-I193 HydrophobicContact CD2-CD1 3.66Å; L187-I193 HydrophobicContact CD2-CG1 4.22Å
188Q85.3Confident84.9Confident169 Ų16995 Ų9579%0.7947%0.471SS*.Hα-helixtrans-65.8-37.3173.7-74.3175.5-0.900112.4G184 I186G184-Q188 WeakPolarHBondContact O-CG 3.26Å; G184-Q188 PolarHBondContact O-N 3.33Å; I186-Q188 VanDerWaalsContact C-N 3.3Å; I186-Q188 PolarHBondContact O-N 3.08Å
189K81.1Confident85.3Confident119 Ų11985.7 Ų85.752%0.51743%0.427SS..Hα-helixtrans-83-42.3178.8-68179.2179.9178.60112S185 I186 P191S185-K189 PolarHBondContact O-N 3.5Å; I186-K189 PolarHBondContact O-N 2.89Å; I186-K189 VanDerWaalsContact O-N 3.16Å; K189-P191 WeakPolarHBondContact O-CD 3.36Å
190Y83.1Confident85.3Confident24 Ų2481.3 Ų81.39%0.09441%0.411CS..  trans-119.790.7-178.6-63.8-86.1000109R166 L168 I186 L187 R192 F237R166-Y190 PolarHBondContact NH1-OH 2.83Å; L168-Y190 HydrophobicContact CD1-CD1 4.2Å; L168-Y190 HydrophobicContact CD1-CD2 4.49Å; L168-Y190 HydrophobicContact CD1-CG 3.88Å; L168-Y190 HydrophobicContact CD2-CD1 4.11Å; L168-Y190 HydrophobicContact CD2-CD2 3.85Å; L168-Y190 HydrophobicContact CD2-CE1 4.29Å; L168-Y190 HydrophobicContact CD2-CE2 4.08Å; L168-Y190 HydrophobicContact CD2-CG 3.89Å; I186-Y190 PolarHBondContact O-N 3.04Å; L187-Y190 CarbonylContact O-C 3.55Å; Y190-R192 PolarHBondContact O-N 3.4Å; Y190-F237 HydrophobicContact CD2-CE1 4.04Å; Y190-F237 HydrophobicContact CE2-CD1 4.46Å; Y190-F237 AromaticContact CE2-CE1 3.69Å; Y190-F237 HydrophobicContact CE2-CE1 3.69Å
191P84.7Confident85.5Confident111 Ų11178.3 Ų78.372%0.72140%0.395SS*.SBendtrans-70-12.9-175.928-35.7000113.2L187 K189L187-P191 WeakPolarHBondContact O-CA 3.39Å; K189-P191 WeakPolarHBondContact O-CD 3.36Å
192R87.8Confident85.5Confident191 Ų19173 Ų7372%0.72136%0.363SS*.  trans-127.3110.2-179.5-66.5-177.4177.8-176.9-0.9109.6Y190Y190-R192 PolarHBondContact O-N 3.4Å
193I90Very high85.6Confident32 Ų3271 Ų7116%0.16435%0.352CS..EExtended strand (participates in β ladder)trans-115128.1174.2-53-175000107.8L168 I186 L187 F195L168-I193 HydrophobicContact CD1-CB 4.5Å; L168-I193 HydrophobicContact CD1-CD1 4.18Å; L168-I193 HydrophobicContact CD1-CG1 3.81Å; L168-I193 HydrophobicContact CD1-CG2 4.33Å; I186-I193 HydrophobicContact CG2-CD1 4.01Å; L187-I193 HydrophobicContact CD2-CD1 3.66Å; L187-I193 HydrophobicContact CD2-CG1 4.22Å; I193-F195 HydrophobicContact CB-CE2 4.11Å; I193-F195 HydrophobicContact CG2-CD2 4.24Å; I193-F195 HydrophobicContact CG2-CE1 4.35Å; I193-F195 HydrophobicContact CG2-CE2 3.69Å; I193-F195 HydrophobicContact CG2-CZ 3.73Å
194R90.1Very high85.9Confident167 Ų16764.8 Ų64.863%0.6333%0.326SS*.EExtended strand (participates in β ladder)trans-99.4116.4174.9-171174.1-169.7137.14.7109V160 H196V160-R194 HydrophobicContact CG2-CB 4.01Å; V160-R194 PolarHBondContact N-O 3.43Å; V160-R194 PolarHBondContact O-N 3.09Å; R194-H196 WeakPolarHBondContact CD-NE2 3.45Å
195F90.3Very high86.3Confident83 Ų8362.8 Ų62.836%0.36431%0.305SS..EExtended strand (participates in β ladder)trans-87.9137.4174.8-73-80.1000111.1I158 F169 L180 I182 I193I158-F195 CarbonylContact O-C 3.58Å; I158-F195 WeakPolarHBondContact O-CA 3.19Å; F169-F195 HydrophobicContact CB-CE1 4.4Å; F169-F195 AromaticContact CD1-CE1 3.94Å; F169-F195 HydrophobicContact CD1-CE1 3.94Å; F169-F195 HydrophobicContact CG-CE1 4.35Å; L180-F195 HydrophobicContact CD2-CE1 4.14Å; L180-F195 HydrophobicContact CD2-CZ 4.42Å; I182-F195 HydrophobicContact CD1-CE1 4.37Å; I182-F195 HydrophobicContact CD1-CE2 3.98Å; I182-F195 HydrophobicContact CD1-CZ 3.44Å; I182-F195 VanDerWaalsContact CD1-CZ 3.44Å; I182-F195 HydrophobicContact CG1-CZ 4.41Å; I193-F195 HydrophobicContact CB-CE2 4.11Å; I193-F195 HydrophobicContact CG2-CD2 4.24Å; I193-F195 HydrophobicContact CG2-CE1 4.35Å; I193-F195 HydrophobicContact CG2-CE2 3.69Å; I193-F195 HydrophobicContact CG2-CZ 3.73Å
196H87.9Confident86.7Confident32 Ų3260.2 Ų60.215%0.14829%0.287CS..EExtended strand (participates in β ladder)trans-125.5127.1171.1-66.8-84.3000109.1I158 R194 L199I158-H196 PolarHBondContact N-O 3.27Å; I158-H196 PolarHBondContact O-N 2.72Å; R194-H196 WeakPolarHBondContact CD-NE2 3.45Å; H196-L199 HydrophobicContact CB-CB 4.48Å; H196-L199 HydrophobicContact CB-CD1 3.49Å; H196-L199 VanDerWaalsContact CB-CD1 3.49Å; H196-L199 HydrophobicContact CB-CG 3.64Å
197T86.9Confident87.1Confident59 Ų5959.5 Ų59.536%0.36228%0.283SS..SBendtrans-98.5-18.9172.347.50000112.5F157 L199F157-T197 HydrophobicContact CD1-CG2 3.91Å; F157-T197 HydrophobicContact CE1-CG2 3.85Å; T197-L199 VanDerWaalsContact C-N 3.29Å
198D83.6Confident87.4Confident97 Ų9757.1 Ų57.152%0.51927%0.269SS..SBendtrans-94.29-171.4-44.7-27.2000110.8K134 G135K134-D198 CarbonylContact C-O 3.45Å; K134-D198 WeakPolarHBondContact CA-O 3.19Å; G135-D198 PolarHBondContact N-O 2.85Å
199L83.5Confident87.6Confident4 Ų451.2 Ų51.22%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-89.8131.4-179.6-68.5177.6000110.2M132 R133 K134 I158 H196 T197 I304M132-L199 HydrophobicContact CE-CB 4.03Å; M132-L199 HydrophobicContact SD-CB 4.45Å; M132-L199 HydrophobicContact SD-CD1 4.31Å; R133-L199 CarbonylContact O-C 3.58Å; R133-L199 WeakPolarHBondContact O-CA 2.92Å; K134-L199 HydrophobicContact CG-CD2 3.78Å; I158-L199 HydrophobicContact CB-CD1 4.21Å; I158-L199 HydrophobicContact CG1-CB 4.3Å; I158-L199 HydrophobicContact CG2-CD1 4.19Å; H196-L199 HydrophobicContact CB-CB 4.48Å; H196-L199 HydrophobicContact CB-CD1 3.49Å; H196-L199 VanDerWaalsContact CB-CD1 3.49Å; H196-L199 HydrophobicContact CB-CG 3.64Å; T197-L199 VanDerWaalsContact C-N 3.29Å; L199-I304 HydrophobicContact CD1-CD1 3.85Å; L199-I304 HydrophobicContact CD1-CG1 4.12Å; L199-I304 HydrophobicContact CD2-CG2 3.8Å
200V81.8Confident87.9Confident62 Ų6246.3 Ų46.338%0.37622%0.219SC..EExtended strand (participates in β ladder)trans-109.7137.1170.8-178.60000107.9R133R133-V200 PolarHBondContact N-O 3.07Å; R133-V200 PolarHBondContact O-N 3.25Å
201D86.2Confident88.2Confident3 Ų345.1 Ų45.12%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-80126.4177.9176.217.4000111.9M132 H203 Y205 R225 R312M132-D201 HydrophobicContact CE-CB 4.09Å; D201-H203 VanDerWaalsContact C-N 3.27Å; D201-H203 PolarHBondContact O-N 2.99Å; D201-H203 PolarHBondContact OD1-N 3.16Å; D201-Y205 PolarHBondContact OD2-OH 3.36Å; D201-R225 WeakPolarHBondContact OD2-CD 3.1Å; D201-R225 WeakPolarHBondContact OD2-CG 3.22Å; D201-R225 IonicContact OD2-CZ 2.89Å; D201-R225 IonicContact OD2-NE 2.64Å; D201-R225 IonicContact OD2-NH1 3.68Å; D201-R225 PolarHBondContact OD2-NH1 3.05Å; D201-R312 WeakPolarHBondContact O-CD 3.45Å
202A84.2Confident88.4Confident2 Ų239.9 Ų39.92%0.01718%0.181CC..EExtended strand (participates in β ladder)trans-77.1-12.717900000112.8L108 L131 L204 C310L108-A202 HydrophobicContact CD1-CB 4Å; L108-A202 VanDerWaalsContact CD1-O 3.23Å; L108-A202 WeakPolarHBondContact CD1-O 3.37Å; L131-A202 HydrophobicContact CB-CB 4Å; L131-A202 HydrophobicContact CD2-CB 3.92Å; L131-A202 HydrophobicContact CG-CB 3.87Å; L131-A202 WeakPolarHBondContact O-CB 3.24Å; L131-A202 PolarHBondContact O-N 3.17Å; A202-L204 VanDerWaalsContact C-N 3.27Å; A202-L204 PolarHBondContact O-N 3.28Å; A202-C310 WeakPolarHBondContact CB-SG 3.36Å
203H88.2Confident88.5Confident8 Ų832.2 Ų32.24%0.03715%0.154CC..EExtended strand (participates in β ladder)trans58.839.3-175.1-153.9153.8000112.8S105 D201 Y205 R312S105-H203 PolarHBondContact N-O 3.23Å; D201-H203 VanDerWaalsContact C-N 3.27Å; D201-H203 PolarHBondContact O-N 2.99Å; D201-H203 PolarHBondContact OD1-N 3.16Å; H203-Y205 AromaticContact CD2-CD2 3.78Å; H203-Y205 AromaticContact CD2-CE2 3.21Å; H203-Y205 WeakPolarHBondContact CD2-CE2 3.47Å; H203-Y205 AromaticContact NE2-CE2 3.69Å; H203-R312 VanDerWaalsContact ND1-CZ 3.3Å; H203-R312 PolarHBondContact ND1-NH2 3.15Å
204L90.8Very high88.4Confident5 Ų530.8 Ų30.83%0.02615%0.147CC..EExtended strand (participates in β ladder)trans-111.8115.6167.7171.768.1000107.8L102 V103 L104 L108 L114 V117 M130 L131 A202L102-L204 HydrophobicContact CD1-CD1 4.13Å; L102-L204 HydrophobicContact CG-CD1 4.41Å; V103-L204 WeakPolarHBondContact O-CA 3.18Å; L104-L204 HydrophobicContact CD1-CD1 4.14Å; L104-L204 HydrophobicContact CD2-CD1 3.89Å; L104-L204 HydrophobicContact CG-CD1 3.6Å; L108-L204 HydrophobicContact CD2-CB 4.06Å; L114-L204 HydrophobicContact CD1-CD1 4.03Å; L114-L204 HydrophobicContact CD1-CD2 4.33Å; V117-L204 HydrophobicContact CG1-CD2 4.4Å; M130-L204 WeakPolarHBondContact CA-O 3.37Å; L131-L204 HydrophobicContact CB-CB 3.99Å; L131-L204 HydrophobicContact CB-CD2 3.98Å; L131-L204 HydrophobicContact CB-CG 4.35Å; L131-L204 HydrophobicContact CD2-CB 4.48Å; L131-L204 HydrophobicContact CD2-CD2 3.78Å; L131-L204 PolarHBondContact N-O 3.11Å; A202-L204 VanDerWaalsContact C-N 3.27Å; A202-L204 PolarHBondContact O-N 3.28Å
205Y92.9Very high88.3Confident0 Ų022.9 Ų22.90%012%0.117CC..EExtended strand (participates in β ladder)trans-127.9135-176.6-52.4-55000111.8L102 V103 L128 A129 M130 D201 H203 I224 I229L102-Y205 CarbonylContact C-O 3.49Å; L102-Y205 WeakPolarHBondContact CA-O 3.39Å; V103-Y205 HydrophobicContact CB-CD2 4.41Å; V103-Y205 PolarHBondContact N-O 3.03Å; V103-Y205 PolarHBondContact O-N 3.16Å; L128-Y205 HydrophobicContact CD1-CD1 4.48Å; A129-Y205 CarbonylContact O-C 3.53Å; A129-Y205 WeakPolarHBondContact O-CA 3.41Å; M130-Y205 HydrophobicContact CB-CD1 3.58Å; M130-Y205 HydrophobicContact CB-CE1 3.84Å; M130-Y205 HydrophobicContact CE-CE1 4.01Å; D201-Y205 PolarHBondContact OD2-OH 3.36Å; H203-Y205 AromaticContact CD2-CD2 3.78Å; H203-Y205 AromaticContact CD2-CE2 3.21Å; H203-Y205 WeakPolarHBondContact CD2-CE2 3.47Å; H203-Y205 AromaticContact NE2-CE2 3.69Å; Y205-I224 HydrophobicContact CD2-CG2 3.76Å; Y205-I224 HydrophobicContact CE2-CB 4.42Å; Y205-I224 HydrophobicContact CE2-CG2 3.65Å; Y205-I229 HydrophobicContact CD1-CD1 4.13Å; Y205-I229 HydrophobicContact CE1-CD1 3.36Å; Y205-I229 HydrophobicContact CE2-CD1 4.4Å; Y205-I229 WeakPolarHBondContact OH-CD1 3.48Å
206C92.4Very high88Confident0 Ų022.2 Ų22.20%012%0.116CC..EExtended strand (participates in β ladder)trans-103.7119.2163.9-55.40000107.9L102 V117 F121 L128 A129L102-C206 WeakPolarHBondContact CD1-SG 3.4Å; V117-C206 WeakPolarHBondContact CG1-SG 3.44Å; F121-C206 HydrophobicContact CB-CB 4.35Å; F121-C206 HydrophobicContact CD2-CB 3.53Å; F121-C206 HydrophobicContact CE2-CB 3.89Å; F121-C206 HydrophobicContact CG-CB 3.96Å; L128-C206 CarbonylContact C-O 3.47Å; L128-C206 VanDerWaalsContact CA-O 3.27Å; L128-C206 WeakPolarHBondContact CA-O 3.45Å; A129-C206 HydrophobicContact CB-CB 4.14Å; A129-C206 PolarHBondContact N-O 3.15Å; A129-C206 PolarHBondContact O-N 2.8Å
207L92.9Very high87.9Confident0 Ų026.3 Ų26.30%014%0.135CC..EExtended strand (participates in β ladder)trans-116.7137.8179-64.394.3000110.2V101 V103 L128 V211 L228V101-L207 PolarHBondContact N-O 3.01Å; V101-L207 PolarHBondContact O-N 3.34Å; V103-L207 HydrophobicContact CB-CD1 4.29Å; V103-L207 HydrophobicContact CG2-CD1 3.64Å; L128-L207 HydrophobicContact CD1-CD1 4.44Å; L128-L207 HydrophobicContact CD1-CD2 4.47Å; L128-L207 HydrophobicContact CD1-CG 3.92Å; L207-V211 HydrophobicContact CD2-CB 4.4Å; L207-V211 HydrophobicContact CD2-CG1 3.82Å; L207-L228 HydrophobicContact CD2-CD2 3.8Å
208K91.2Very high87.7Confident31 Ų3124.4 Ų24.414%0.13512%0.123CC..  trans-68.4149.4166.5-80.7-167.9170-172.40111.7D100 F121 D125 A126 S127 Y210 V211D100-K208 VanDerWaalsContact OD1-CA 3.31Å; D100-K208 WeakPolarHBondContact OD1-CA 3.23Å; F121-K208 HydrophobicContact CE1-CG 4.47Å; F121-K208 HydrophobicContact CE2-CG 4.11Å; F121-K208 HydrophobicContact CZ-CG 3.53Å; D125-K208 VanDerWaalsContact OD1-CE 3.25Å; D125-K208 WeakPolarHBondContact OD1-CE 3.23Å; D125-K208 IonicContact OD1-NZ 2.55Å; D125-K208 PolarHBondContact OD1-NZ 3.01Å; D125-K208 IonicContact OD2-NZ 3.57Å; D125-K208 PolarHBondContact OD2-NZ 2.78Å; A126-K208 WeakPolarHBondContact O-CD 3.2Å; A126-K208 VanDerWaalsContact O-CE 3.28Å; A126-K208 WeakPolarHBondContact O-CE 3.3Å; A126-K208 WeakPolarHBondContact O-CG 3.16Å; S127-K208 PolarHBondContact O-N 3.49Å; S127-K208 VanDerWaalsContact O-N 3.14Å; K208-Y210 VanDerWaalsContact C-N 3.29Å; K208-Y210 HydrophobicContact CB-CD1 3.72Å; K208-Y210 HydrophobicContact CB-CE1 3.54Å; K208-Y210 HydrophobicContact CD-CD1 4.08Å; K208-Y210 HydrophobicContact CD-CE1 3.35Å; K208-Y210 HydrophobicContact CG-CE1 4.07Å; K208-Y210 PolarHBondContact O-N 2.87Å; K208-V211 HydrophobicContact CB-CG2 4.33Å; K208-V211 WeakPolarHBondContact O-CB 3.04Å; K208-V211 PolarHBondContact O-N 3.44Å
209K90Very high87.6Confident45 Ų4522.6 Ų22.620%0.19613%0.127CC..Hα-helixtrans-52.1-42.8-179.8-179.454.9171.361.40113.6L97 D100 V211 V212 D213L97-K209 WeakPolarHBondContact O-CE 3.17Å; D100-K209 PolarHBondContact OD1-N 3.45Å; K209-V211 PolarHBondContact O-N 3.44Å; K209-V211 VanDerWaalsContact O-N 3.16Å; K209-V212 WeakPolarHBondContact O-CA 3.32Å; K209-V212 VanDerWaalsContact O-CB 3.32Å; K209-V212 WeakPolarHBondContact O-CB 3.42Å; K209-V212 PolarHBondContact O-N 3.43Å; K209-D213 IonicContact NZ-OD1 2.73Å; K209-D213 PolarHBondContact NZ-OD1 2.94Å; K209-D213 IonicContact NZ-OD2 2.69Å; K209-D213 PolarHBondContact O-N 3.36Å
210Y87.7Confident87.6Confident16 Ų1626.9 Ų26.96%0.06316%0.157CC..Hα-helixtrans-64-23.1179.972.7-104000113.7S127 K208 V212 D213 F214 I263 I267S127-Y210 WeakPolarHBondContact CB-OH 3.28Å; S127-Y210 PolarHBondContact OG-OH 3.38Å; K208-Y210 VanDerWaalsContact C-N 3.29Å; K208-Y210 HydrophobicContact CB-CD1 3.72Å; K208-Y210 HydrophobicContact CB-CE1 3.54Å; K208-Y210 HydrophobicContact CD-CD1 4.08Å; K208-Y210 HydrophobicContact CD-CE1 3.35Å; K208-Y210 HydrophobicContact CG-CE1 4.07Å; K208-Y210 PolarHBondContact O-N 2.87Å; Y210-V212 VanDerWaalsContact C-N 3.3Å; Y210-D213 WeakPolarHBondContact CA-OD2 3.33Å; Y210-D213 PolarHBondContact O-N 3.14Å; Y210-F214 PolarHBondContact O-N 3.29Å; Y210-I263 HydrophobicContact CD2-CG2 4.43Å; Y210-I263 HydrophobicContact CE2-CG2 4.11Å; Y210-I267 HydrophobicContact CD2-CD1 4.45Å; Y210-I267 HydrophobicContact CD2-CG1 3.75Å; Y210-I267 HydrophobicContact CE1-CG1 4.37Å; Y210-I267 HydrophobicContact CE2-CD1 3.81Å; Y210-I267 HydrophobicContact CE2-CG1 3.55Å; Y210-I267 HydrophobicContact CG-CG1 4.29Å
211V89.3Confident87.9Confident0 Ų024.4 Ų24.40%014%0.142CC..Hα-helixtrans-71.1-34.5175-176.20000109.7L207 K208 K209 F214 L215 L228 L232L207-V211 HydrophobicContact CD2-CB 4.4Å; L207-V211 HydrophobicContact CD2-CG1 3.82Å; K208-V211 HydrophobicContact CB-CG2 4.33Å; K208-V211 WeakPolarHBondContact O-CB 3.04Å; K208-V211 PolarHBondContact O-N 3.44Å; K209-V211 PolarHBondContact O-N 3.44Å; K209-V211 VanDerWaalsContact O-N 3.16Å; V211-F214 PolarHBondContact O-N 2.87Å; V211-L215 WeakPolarHBondContact O-CG 3.45Å; V211-L215 PolarHBondContact O-N 3.48Å; V211-L215 VanDerWaalsContact O-N 3.13Å; V211-L228 HydrophobicContact CG1-CD1 4.34Å; V211-L228 HydrophobicContact CG1-CD2 4.2Å; V211-L232 HydrophobicContact CG1-CD1 4.09Å; V211-L232 HydrophobicContact CG1-CD2 4.31Å
212V89Confident87.8Confident1 Ų127.3 Ų27.31%0.00616%0.16CC..Hα-helixtrans-70.7-37.4173.1-169.10000110.7Y94 L97 V101 K209 Y210 F214 L215 M216Y94-V212 HydrophobicContact CD2-CG1 3.85Å; Y94-V212 HydrophobicContact CE2-CG1 4.31Å; L97-V212 HydrophobicContact CD1-CG1 3.8Å; V101-V212 HydrophobicContact CB-CG2 4.34Å; V101-V212 HydrophobicContact CG2-CG2 3.87Å; K209-V212 WeakPolarHBondContact O-CA 3.32Å; K209-V212 VanDerWaalsContact O-CB 3.32Å; K209-V212 WeakPolarHBondContact O-CB 3.42Å; K209-V212 PolarHBondContact O-N 3.43Å; Y210-V212 VanDerWaalsContact C-N 3.3Å; V212-F214 VanDerWaalsContact C-N 3.3Å; V212-F214 PolarHBondContact O-N 2.91Å; V212-L215 WeakPolarHBondContact O-CB 3.46Å; V212-L215 PolarHBondContact O-N 3.41Å; V212-L215 VanDerWaalsContact O-N 3.1Å; V212-M216 PolarHBondContact O-N 3.21Å; V212-M216 VanDerWaalsContact O-N 3.17Å
213D88.9Confident87.9Confident30 Ų3028.6 Ų28.616%0.1617%0.168CC..Hα-helixtrans-60.8-42.7174.4-58.7-23.4000111Y94 K209 Y210 L215 M216 E217 F266Y94-D213 VanDerWaalsContact CE2-OD1 3.23Å; Y94-D213 WeakPolarHBondContact CE2-OD1 3.05Å; Y94-D213 PolarHBondContact OH-OD1 2.97Å; K209-D213 IonicContact NZ-OD1 2.73Å; K209-D213 PolarHBondContact NZ-OD1 2.94Å; K209-D213 IonicContact NZ-OD2 2.69Å; K209-D213 PolarHBondContact O-N 3.36Å; Y210-D213 WeakPolarHBondContact CA-OD2 3.33Å; Y210-D213 PolarHBondContact O-N 3.14Å; D213-L215 VanDerWaalsContact C-N 3.32Å; D213-L215 PolarHBondContact O-N 2.95Å; D213-M216 WeakPolarHBondContact O-CB 3.34Å; D213-M216 PolarHBondContact O-N 3.14Å; D213-E217 PolarHBondContact O-N 3.2Å; D213-F266 HydrophobicContact CB-CD1 3.88Å; D213-F266 HydrophobicContact CB-CE1 4.45Å
214F88.2Confident87.9Confident1 Ų128.2 Ų28.20%0.00417%0.167CC..Hα-helixtrans-61.7-36.9173.3169.8-99.3000113.4Y210 V211 V212 M216 E217 N218 I221 L228 Y231 I263 F266Y210-F214 PolarHBondContact O-N 3.29Å; V211-F214 PolarHBondContact O-N 2.87Å; V212-F214 VanDerWaalsContact C-N 3.3Å; V212-F214 PolarHBondContact O-N 2.91Å; F214-M216 VanDerWaalsContact C-N 3.29Å; F214-M216 PolarHBondContact O-N 3.43Å; F214-E217 PolarHBondContact O-N 2.84Å; F214-N218 WeakPolarHBondContact CD2-ND2 3.22Å; F214-N218 WeakPolarHBondContact CE2-ND2 3.43Å; F214-N218 HydrophobicContact CZ-CB 4.31Å; F214-N218 VanDerWaalsContact CZ-ND2 3.3Å; F214-N218 WeakPolarHBondContact CZ-ND2 3.42Å; F214-N218 PolarHBondContact O-N 3.17Å; F214-N218 VanDerWaalsContact O-N 3.09Å; F214-N218 PolarHBondContact O-ND2 3.42Å; F214-N218 VanDerWaalsContact O-ND2 3.07Å; F214-I221 HydrophobicContact CE1-CD1 3.63Å; F214-I221 HydrophobicContact CZ-CD1 4.25Å; F214-L228 HydrophobicContact CD1-CD1 4.29Å; F214-L228 HydrophobicContact CE1-CD1 4.21Å; F214-Y231 HydrophobicContact CE1-CD1 4.02Å; F214-Y231 AromaticContact CE1-CE1 3.73Å; F214-Y231 HydrophobicContact CE1-CE1 3.73Å; F214-Y231 HydrophobicContact CE2-CE1 4.02Å; F214-Y231 AromaticContact CZ-CD1 3.98Å; F214-Y231 HydrophobicContact CZ-CD1 3.98Å; F214-Y231 AromaticContact CZ-CE1 3.26Å; F214-Y231 HydrophobicContact CZ-CE1 3.26Å; F214-Y231 HydrophobicContact CZ-CE2 4.49Å; F214-Y231 AromaticContact CZ-CZ 3.55Å; F214-I263 HydrophobicContact CB-CG1 4.07Å; F214-I263 HydrophobicContact CD1-CD1 3.79Å; F214-I263 HydrophobicContact CD1-CG1 3.62Å; F214-I263 HydrophobicContact CD2-CB 4.15Å; F214-I263 HydrophobicContact CD2-CD1 4.25Å; F214-I263 HydrophobicContact CD2-CG1 3.2Å; F214-I263 HydrophobicContact CE1-CD1 3.79Å; F214-I263 HydrophobicContact CE1-CG1 3.77Å; F214-I263 HydrophobicContact CE2-CB 4.38Å; F214-I263 HydrophobicContact CE2-CD1 4.22Å; F214-I263 HydrophobicContact CE2-CG1 3.32Å; F214-I263 HydrophobicContact CG-CB 4.49Å; F214-I263 HydrophobicContact CG-CD1 4.03Å; F214-I263 HydrophobicContact CG-CG1 3.34Å; F214-I263 HydrophobicContact CZ-CD1 4.02Å; F214-I263 HydrophobicContact CZ-CG1 3.64Å; F214-F266 HydrophobicContact CB-CD2 4.07Å; F214-F266 HydrophobicContact CB-CE2 4.33Å; F214-F266 HydrophobicContact CD2-CD2 4.24Å; F214-F266 HydrophobicContact CD2-CE2 4.05Å
215L87.4Confident87.7Confident1 Ų130.2 Ų30.21%0.00517%0.174CC..Hα-helixtrans-65-33.4176.9-77.2174.7000112.2A87 L90 R91 V211 V212 D213 N218 I221 L228A87-L215 HydrophobicContact CB-CD2 4.25Å; L90-L215 HydrophobicContact CD1-CD1 3.86Å; R91-L215 PolarHBondContact NE-O 2.89Å; R91-L215 PolarHBondContact NH2-O 3.32Å; V211-L215 WeakPolarHBondContact O-CG 3.45Å; V211-L215 PolarHBondContact O-N 3.48Å; V211-L215 VanDerWaalsContact O-N 3.13Å; V212-L215 WeakPolarHBondContact O-CB 3.46Å; V212-L215 PolarHBondContact O-N 3.41Å; V212-L215 VanDerWaalsContact O-N 3.1Å; D213-L215 VanDerWaalsContact C-N 3.32Å; D213-L215 PolarHBondContact O-N 2.95Å; L215-N218 CarbonylContact O-C 3.59Å; L215-I221 HydrophobicContact CD2-CB 4.21Å; L215-I221 HydrophobicContact CD2-CD1 4.1Å; L215-I221 HydrophobicContact CD2-CG2 3.92Å; L215-L228 HydrophobicContact CD1-CD2 3.95Å; L215-L228 HydrophobicContact CD2-CD1 3.77Å; L215-L228 HydrophobicContact CD2-CD2 4.06Å; L215-L228 HydrophobicContact CD2-CG 4.36Å; L215-L228 HydrophobicContact CG-CD1 4.31Å; L215-L228 HydrophobicContact CG-CD2 4.25Å
216M85.4Confident87.2Confident70 Ų7032.4 Ų32.435%0.34519%0.189SC..Hα-helixtrans-65.3-42.2176.4-73.7-58.7-65.100112.3R91 Y94 V212 D213 F214R91-M216 VanDerWaalsContact CA-SD 3.57Å; R91-M216 HydrophobicContact CB-SD 3.74Å; R91-M216 HydrophobicContact CG-SD 3.85Å; Y94-M216 WeakPolarHBondContact CB-SD 3.49Å; Y94-M216 HydrophobicContact CD1-CE 3.7Å; Y94-M216 HydrophobicContact CD1-CG 3.63Å; Y94-M216 HydrophobicContact CD1-SD 3.81Å; Y94-M216 HydrophobicContact CD2-CG 3.27Å; Y94-M216 HydrophobicContact CD2-SD 3.9Å; Y94-M216 HydrophobicContact CE1-CE 4.37Å; Y94-M216 HydrophobicContact CE1-CG 3.85Å; Y94-M216 HydrophobicContact CE2-CG 3.51Å; Y94-M216 HydrophobicContact CG-CE 3.95Å; Y94-M216 HydrophobicContact CG-CG 3.32Å; Y94-M216 HydrophobicContact CG-SD 3.41Å; V212-M216 PolarHBondContact O-N 3.21Å; V212-M216 VanDerWaalsContact O-N 3.17Å; D213-M216 WeakPolarHBondContact O-CB 3.34Å; D213-M216 PolarHBondContact O-N 3.14Å; F214-M216 VanDerWaalsContact C-N 3.29Å; F214-M216 PolarHBondContact O-N 3.43Å
217E84.5Confident86.9Confident118 Ų11836 Ų3655%0.55121%0.206SC*.Hα-helixtrans-77.1-25.7-176.9-65.7-70.1159.700112D213 F214 F266D213-E217 PolarHBondContact O-N 3.2Å; F214-E217 PolarHBondContact O-N 2.84Å; E217-F266 HydrophobicContact CB-CZ 3.9Å; E217-F266 HydrophobicContact CG-CE1 3.83Å; E217-F266 HydrophobicContact CG-CZ 3.59Å
218N84.4Confident86.7Confident18 Ų1836 Ų3610%0.09621%0.206CC..  trans-106.791.3177.6-68.3-78.3000111.7R91 F214 L215 S220 I221R91-N218 PolarHBondContact NH2-O 3.13Å; F214-N218 WeakPolarHBondContact CD2-ND2 3.22Å; F214-N218 WeakPolarHBondContact CE2-ND2 3.43Å; F214-N218 HydrophobicContact CZ-CB 4.31Å; F214-N218 VanDerWaalsContact CZ-ND2 3.3Å; F214-N218 WeakPolarHBondContact CZ-ND2 3.42Å; F214-N218 PolarHBondContact O-N 3.17Å; F214-N218 VanDerWaalsContact O-N 3.09Å; F214-N218 PolarHBondContact O-ND2 3.42Å; F214-N218 VanDerWaalsContact O-ND2 3.07Å; L215-N218 CarbonylContact O-C 3.59Å; N218-S220 PolarHBondContact O-N 2.68Å; N218-I221 HydrophobicContact CB-CD1 4.33Å
219G79.7Confident86.6Confident59 Ų5934.5 Ų34.561%0.60820%0.2SC*.THydrogen-bonded Turntrans-70.2-5.817600000115.7I221G219-I221 VanDerWaalsContact C-N 3.33Å
220S85.1Confident86.4Confident94 Ų9432.9 Ų32.966%0.65719%0.193SC*.THydrogen-bonded Turntrans-75.6-20.8-179.655.20000114N218 T222N218-S220 PolarHBondContact O-N 2.68Å; S220-T222 PolarHBondContact O-N 2.77Å
221I86.6Confident86.4Confident11 Ų1134.6 Ų34.66%0.05620%0.2CC..  trans-85.4113.5-173.9-60.6171.4000109.3A87 R91 F214 L215 N218 G219 E227 L228A87-I221 HydrophobicContact CB-CG2 3.97Å; A87-I221 VanDerWaalsContact CB-O 3.27Å; A87-I221 WeakPolarHBondContact CB-O 3.45Å; R91-I221 PolarHBondContact NH1-O 3.24Å; R91-I221 PolarHBondContact NH2-O 3.43Å; F214-I221 HydrophobicContact CE1-CD1 3.63Å; F214-I221 HydrophobicContact CZ-CD1 4.25Å; L215-I221 HydrophobicContact CD2-CB 4.21Å; L215-I221 HydrophobicContact CD2-CD1 4.1Å; L215-I221 HydrophobicContact CD2-CG2 3.92Å; N218-I221 HydrophobicContact CB-CD1 4.33Å; G219-I221 VanDerWaalsContact C-N 3.33Å; I221-E227 WeakPolarHBondContact CA-OE2 3.4Å; I221-E227 HydrophobicContact CG2-CB 4.02Å; I221-L228 HydrophobicContact CD1-CD1 4.21Å; I221-L228 HydrophobicContact CG2-CB 4.15Å
222T85.3Confident86.2Confident64 Ų6434.6 Ų34.639%0.39320%0.2SC..  trans-96.1-39.517860.60000111.6G85 T86 A87 S220 E227G85-T222 CarbonylContact C-O 3.59Å; G85-T222 VanDerWaalsContact CA-O 3.23Å; G85-T222 WeakPolarHBondContact CA-O 3.34Å; T86-T222 PolarHBondContact N-O 2.98Å; T86-T222 VanDerWaalsContact N-O 3.13Å; A87-T222 VanDerWaalsContact CB-O 3.31Å; A87-T222 WeakPolarHBondContact CB-O 3.38Å; A87-T222 PolarHBondContact N-O 3.19Å; S220-T222 PolarHBondContact O-N 2.77Å; T222-E227 PolarHBondContact N-OE2 2.82Å; T222-E227 PolarHBondContact OG1-OE1 3.48Å; T222-E227 PolarHBondContact OG1-OE2 3.05Å
223S86.4Confident86.1Confident28 Ų2834.8 Ų34.820%0.19620%0.201CC..  trans-114.6123.6-174.1-179.40000111.9R225 S226 E227 L228S223-R225 VanDerWaalsContact C-N 3.3Å; S223-R225 PolarHBondContact O-N 2.95Å; S223-S226 PolarHBondContact OG-N 3.06Å; S223-S226 PolarHBondContact OG-OG 3.49Å; S223-E227 PolarHBondContact N-OE2 2.87Å; S223-E227 WeakPolarHBondContact O-CB 3.19Å; S223-E227 PolarHBondContact O-N 3.22Å; S223-E227 VanDerWaalsContact O-N 3.09Å; S223-L228 PolarHBondContact O-N 2.85Å
224I87.5Confident85.8Confident0 Ų040.9 Ų40.90%022%0.222CC..Iπ-helixtrans-57.7-48.2173.4-63.5170.4000109.7T86 A87 L90 V103 Y205 L228 I229T86-I224 PolarHBondContact OG1-N 2.86Å; A87-I224 HydrophobicContact CB-CG1 4.24Å; L90-I224 HydrophobicContact CD1-CD1 3.43Å; L90-I224 VanDerWaalsContact CD1-CD1 3.43Å; L90-I224 HydrophobicContact CD1-CG1 4.18Å; L90-I224 HydrophobicContact CG-CD1 4.13Å; V103-I224 HydrophobicContact CG1-CD1 4.24Å; Y205-I224 HydrophobicContact CD2-CG2 3.76Å; Y205-I224 HydrophobicContact CE2-CB 4.42Å; Y205-I224 HydrophobicContact CE2-CG2 3.65Å; I224-L228 HydrophobicContact CG2-CD2 4.09Å; I224-L228 VanDerWaalsContact O-CB 3.3Å; I224-L228 WeakPolarHBondContact O-CB 3.24Å; I224-L228 PolarHBondContact O-N 3.42Å; I224-I229 WeakPolarHBondContact O-CG1 3.45Å; I224-I229 PolarHBondContact O-N 2.73Å
225R86.1Confident85.5Confident48 Ų4842 Ų4218%0.18123%0.227CC..Iπ-helixtrans-67.8-50.4-174.8178179.7153.767.71.4112.8D156 D201 S223 P230D156-R225 IonicContact OD1-CZ 3.89Å; D156-R225 IonicContact OD1-NH2 3.15Å; D156-R225 PolarHBondContact OD1-NH2 3.26Å; D156-R225 IonicContact OD2-CZ 2.76Å; D156-R225 IonicContact OD2-NH1 3.74Å; D156-R225 PolarHBondContact OD2-NH1 2.94Å; D156-R225 IonicContact OD2-NH2 3.74Å; D156-R225 PolarHBondContact OD2-NH2 3.26Å; D201-R225 WeakPolarHBondContact OD2-CD 3.1Å; D201-R225 WeakPolarHBondContact OD2-CG 3.22Å; D201-R225 IonicContact OD2-CZ 2.89Å; D201-R225 IonicContact OD2-NE 2.64Å; D201-R225 IonicContact OD2-NH1 3.68Å; D201-R225 PolarHBondContact OD2-NH1 3.05Å; S223-R225 VanDerWaalsContact C-N 3.3Å; S223-R225 PolarHBondContact O-N 2.95Å; R225-P230 WeakPolarHBondContact O-CD 3.33Å
226S82.5Confident85Confident46 Ų4642.2 Ų42.232%0.32223%0.228SC..Iπ-helixtrans-81.6-29.5-170.2-47.20000112.9S223 P230S223-S226 PolarHBondContact OG-N 3.06Å; S223-S226 PolarHBondContact OG-OG 3.49Å; S226-P230 WeakPolarHBondContact O-CG 3.2Å
227E86Confident84.5Confident75 Ų7540.1 Ų40.135%0.3522%0.217SC..Iπ-helixtrans-118.3-50.1-170.4-65.7170.3173.700111.9I221 T222 S223 Y231I221-E227 WeakPolarHBondContact CA-OE2 3.4Å; I221-E227 HydrophobicContact CG2-CB 4.02Å; T222-E227 PolarHBondContact N-OE2 2.82Å; T222-E227 PolarHBondContact OG1-OE1 3.48Å; T222-E227 PolarHBondContact OG1-OE2 3.05Å; S223-E227 PolarHBondContact N-OE2 2.87Å; S223-E227 WeakPolarHBondContact O-CB 3.19Å; S223-E227 PolarHBondContact O-N 3.22Å; S223-E227 VanDerWaalsContact O-N 3.09Å; E227-Y231 WeakPolarHBondContact O-CB 3.48Å; E227-Y231 PolarHBondContact O-N 3.22Å
228L88.4Confident83.7Confident0 Ų036.6 Ų36.60%021%0.205CC..Iπ-helixtrans-65.8-48.3-176.1-176.365.8000112.3L207 V211 F214 L215 I221 S223 I224 Y231 L232L207-L228 HydrophobicContact CD2-CD2 3.8Å; V211-L228 HydrophobicContact CG1-CD1 4.34Å; V211-L228 HydrophobicContact CG1-CD2 4.2Å; F214-L228 HydrophobicContact CD1-CD1 4.29Å; F214-L228 HydrophobicContact CE1-CD1 4.21Å; L215-L228 HydrophobicContact CD1-CD2 3.95Å; L215-L228 HydrophobicContact CD2-CD1 3.77Å; L215-L228 HydrophobicContact CD2-CD2 4.06Å; L215-L228 HydrophobicContact CD2-CG 4.36Å; L215-L228 HydrophobicContact CG-CD1 4.31Å; L215-L228 HydrophobicContact CG-CD2 4.25Å; I221-L228 HydrophobicContact CD1-CD1 4.21Å; I221-L228 HydrophobicContact CG2-CB 4.15Å; S223-L228 PolarHBondContact O-N 2.85Å; I224-L228 HydrophobicContact CG2-CD2 4.09Å; I224-L228 VanDerWaalsContact O-CB 3.3Å; I224-L228 WeakPolarHBondContact O-CB 3.24Å; I224-L228 PolarHBondContact O-N 3.42Å; L228-Y231 PolarHBondContact O-N 2.93Å; L228-L232 HydrophobicContact CD1-CD1 4.18Å; L228-L232 HydrophobicContact CD1-CG 4.23Å; L228-L232 HydrophobicContact CD2-CD1 4.4Å; L228-L232 HydrophobicContact CG-CD1 3.85Å; L228-L232 HydrophobicContact CG-CG 4.33Å; L228-L232 WeakPolarHBondContact O-CB 3.44Å; L228-L232 VanDerWaalsContact O-CG 3.32Å; L228-L232 WeakPolarHBondContact O-CG 3.16Å; L228-L232 PolarHBondContact O-N 3.09Å
229I89.1Confident82.4Confident0 Ų038.5 Ų38.50%022%0.22CC..Hα-helixtrans-64.5-50-176.9-58.2171.7000111.1L128 M130 L167 M170 Y205 I224 Y231 L232 V233L128-I229 HydrophobicContact CD2-CB 4.33Å; L128-I229 HydrophobicContact CD2-CG1 3.84Å; L128-I229 HydrophobicContact CD2-CG2 3.96Å; M130-I229 HydrophobicContact CE-CD1 4.23Å; M130-I229 HydrophobicContact SD-CD1 4.2Å; M130-I229 HydrophobicContact SD-CG2 4.21Å; L167-I229 HydrophobicContact CD2-CG2 3.95Å; M170-I229 HydrophobicContact CE-CG2 3.89Å; M170-I229 HydrophobicContact SD-CB 4.04Å; M170-I229 HydrophobicContact SD-CG2 3.48Å; M170-I229 WeakPolarHBondContact SD-CG2 3.46Å; Y205-I229 HydrophobicContact CD1-CD1 4.13Å; Y205-I229 HydrophobicContact CE1-CD1 3.36Å; Y205-I229 HydrophobicContact CE2-CD1 4.4Å; Y205-I229 WeakPolarHBondContact OH-CD1 3.48Å; I224-I229 WeakPolarHBondContact O-CG1 3.45Å; I224-I229 PolarHBondContact O-N 2.73Å; I229-Y231 VanDerWaalsContact C-N 3.27Å; I229-Y231 PolarHBondContact O-N 2.64Å; I229-L232 PolarHBondContact O-N 3.4Å; I229-V233 HydrophobicContact CG2-CG2 4.28Å; I229-V233 VanDerWaalsContact O-CG2 3.28Å; I229-V233 WeakPolarHBondContact O-CG2 3.33Å; I229-V233 PolarHBondContact O-N 2.85Å
230P87.3Confident80.9Confident10 Ų1038.3 Ų38.37%0.06521%0.213CC..Hα-helixtrans-60.7-36.5175.6-27.639.6000112.7R225 S226 V233 R234R225-P230 WeakPolarHBondContact O-CD 3.33Å; S226-P230 WeakPolarHBondContact O-CG 3.2Å; P230-V233 PolarHBondContact O-N 3.22Å; P230-R234 WeakPolarHBondContact O-CB 3.49Å; P230-R234 VanDerWaalsContact O-CG 3.23Å; P230-R234 WeakPolarHBondContact O-CG 3.34Å; P230-R234 PolarHBondContact O-N 2.96Å
231Y86.6Confident78.6Confident52 Ų5238 Ų3820%0.20421%0.211CC..Hα-helixtrans-62.4-48175.1179.5-89.2000112.1F214 E227 L228 I229 V233 R234 K235 I263F214-Y231 HydrophobicContact CE1-CD1 4.02Å; F214-Y231 AromaticContact CE1-CE1 3.73Å; F214-Y231 HydrophobicContact CE1-CE1 3.73Å; F214-Y231 HydrophobicContact CE2-CE1 4.02Å; F214-Y231 AromaticContact CZ-CD1 3.98Å; F214-Y231 HydrophobicContact CZ-CD1 3.98Å; F214-Y231 AromaticContact CZ-CE1 3.26Å; F214-Y231 HydrophobicContact CZ-CE1 3.26Å; F214-Y231 HydrophobicContact CZ-CE2 4.49Å; F214-Y231 AromaticContact CZ-CZ 3.55Å; E227-Y231 WeakPolarHBondContact O-CB 3.48Å; E227-Y231 PolarHBondContact O-N 3.22Å; L228-Y231 PolarHBondContact O-N 2.93Å; I229-Y231 VanDerWaalsContact C-N 3.27Å; I229-Y231 PolarHBondContact O-N 2.64Å; Y231-V233 PolarHBondContact O-N 3.17Å; Y231-R234 PolarHBondContact O-N 3.07Å; Y231-K235 HydrophobicContact CD1-CG 4.26Å; Y231-K235 HydrophobicContact CE1-CG 3.79Å; Y231-K235 PolarHBondContact O-N 2.97Å; Y231-K235 WeakPolarHBondContact OH-CE 3.14Å; Y231-I263 HydrophobicContact CD1-CD1 3.76Å; Y231-I263 HydrophobicContact CE1-CD1 3.37Å; Y231-I263 HydrophobicContact CE1-CG1 3.78Å
232L86.5Confident76.3Confident0 Ų040 Ų400%023%0.226CC..Hα-helixtrans-59.7-46.1177.3-74.8168.6000111.4L128 V211 L228 I229 R234 K235 Q236 I263 V298L128-L232 HydrophobicContact CB-CD1 4.28Å; L128-L232 HydrophobicContact CD2-CD1 3.99Å; V211-L232 HydrophobicContact CG1-CD1 4.09Å; V211-L232 HydrophobicContact CG1-CD2 4.31Å; L228-L232 HydrophobicContact CD1-CD1 4.18Å; L228-L232 HydrophobicContact CD1-CG 4.23Å; L228-L232 HydrophobicContact CD2-CD1 4.4Å; L228-L232 HydrophobicContact CG-CD1 3.85Å; L228-L232 HydrophobicContact CG-CG 4.33Å; L228-L232 WeakPolarHBondContact O-CB 3.44Å; L228-L232 VanDerWaalsContact O-CG 3.32Å; L228-L232 WeakPolarHBondContact O-CG 3.16Å; L228-L232 PolarHBondContact O-N 3.09Å; I229-L232 PolarHBondContact O-N 3.4Å; L232-R234 PolarHBondContact O-N 2.89Å; L232-K235 PolarHBondContact O-N 3.1Å; L232-Q236 WeakPolarHBondContact O-CG 3.09Å; L232-Q236 PolarHBondContact O-N 3.14Å; L232-I263 HydrophobicContact CD2-CD1 3.34Å; L232-I263 HydrophobicContact CG-CD1 4.32Å; L232-V298 HydrophobicContact CB-CG1 4.39Å; L232-V298 HydrophobicContact CD2-CG1 3.83Å
233V86.3Confident74.1Confident6 Ų641.4 Ų41.44%0.03623%0.228CC..Hα-helixtrans-60.8-43.7178174.40000111.2L167 L168 I229 P230 Y231 K235 Q236 F237 C300L167-V233 HydrophobicContact CD2-CG2 3.5Å; L167-V233 HydrophobicContact CG-CG2 3.87Å; L168-V233 WeakPolarHBondContact O-CG1 3.44Å; I229-V233 HydrophobicContact CG2-CG2 4.28Å; I229-V233 VanDerWaalsContact O-CG2 3.28Å; I229-V233 WeakPolarHBondContact O-CG2 3.33Å; I229-V233 PolarHBondContact O-N 2.85Å; P230-V233 PolarHBondContact O-N 3.22Å; Y231-V233 PolarHBondContact O-N 3.17Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 3.12Å; V233-Q236 WeakPolarHBondContact O-CB 3.44Å; V233-Q236 PolarHBondContact O-N 2.84Å; V233-F237 HydrophobicContact CG1-CE2 4.44Å; V233-F237 WeakPolarHBondContact O-CD2 3.3Å; V233-F237 WeakPolarHBondContact O-CE2 3.44Å; V233-C300 HydrophobicContact CG2-CB 4.46Å
234R83.1Confident71.4Confident158 Ų15848.1 Ų48.160%0.59626%0.256SS*.Hα-helixtrans-62.4-40.7175.3-72.1175.2-146.5144.22.2111.9P230 Y231 L232P230-R234 WeakPolarHBondContact O-CB 3.49Å; P230-R234 VanDerWaalsContact O-CG 3.23Å; P230-R234 WeakPolarHBondContact O-CG 3.34Å; P230-R234 PolarHBondContact O-N 2.96Å; Y231-R234 PolarHBondContact O-N 3.07Å; L232-R234 PolarHBondContact O-N 2.89Å
235K81.3Confident68.5Low23 Ų2351.3 Ų51.310%0.129%0.289CS..Hα-helixtrans-68.2-35.8179.5-74.4-68.3-169.2173.30111.6Y231 L232 V233 F237 S238 D262 Y264Y231-K235 HydrophobicContact CD1-CG 4.26Å; Y231-K235 HydrophobicContact CE1-CG 3.79Å; Y231-K235 PolarHBondContact O-N 2.97Å; Y231-K235 WeakPolarHBondContact OH-CE 3.14Å; L232-K235 PolarHBondContact O-N 3.1Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 3.12Å; K235-F237 PolarHBondContact O-N 2.81Å; K235-S238 PolarHBondContact O-N 3.37Å; K235-D262 IonicContact NZ-OD1 3.54Å; K235-D262 PolarHBondContact NZ-OD1 3.43Å; K235-D262 IonicContact NZ-OD2 3.42Å; K235-D262 PolarHBondContact NZ-OD2 2.68Å; K235-Y264 HydrophobicContact CD-CE2 3.97Å; K235-Y264 PolarHBondContact O-OH 3.48Å
236Q77.6Confident65.7Low7 Ų756.8 Ų56.83%0.03332%0.317CS..Hα-helixtrans-44-35.5178.4-63.4-1741000115.1L167 L232 V233 S296 V298 C300L167-Q236 PolarHBondContact O-NE2 3.41Å; L167-Q236 PolarHBondContact O-OE1 3.07Å; L232-Q236 WeakPolarHBondContact O-CG 3.09Å; L232-Q236 PolarHBondContact O-N 3.14Å; V233-Q236 WeakPolarHBondContact O-CB 3.44Å; V233-Q236 PolarHBondContact O-N 2.84Å; Q236-S296 PolarHBondContact O-OG 2.99Å; Q236-S296 VanDerWaalsContact O-OG 3.13Å; Q236-V298 HydrophobicContact CG-CG1 4.24Å; Q236-V298 WeakPolarHBondContact CG-O 3.48Å; Q236-C300 VanDerWaalsContact NE2-CA 3.33Å; Q236-C300 PolarHBondContact NE2-SG 3.3Å
237F75.1Confident63.1Low25 Ų2562 Ų6211%0.1134%0.336CS..THydrogen-bonded Turntrans-100.9-9.1-176.1-51.4-68.9000114.3L168 I186 Y190 V233 K235L168-F237 HydrophobicContact CB-CZ 4.38Å; L168-F237 HydrophobicContact CD2-CE1 4.1Å; L168-F237 HydrophobicContact CD2-CZ 3.58Å; L168-F237 WeakPolarHBondContact O-CE2 3.27Å; I186-F237 HydrophobicContact CD1-CD2 3.92Å; I186-F237 HydrophobicContact CD1-CE2 4.28Å; I186-F237 HydrophobicContact CD1-CG 4.5Å; I186-F237 HydrophobicContact CG1-CB 4.31Å; I186-F237 HydrophobicContact CG1-CD2 3.86Å; I186-F237 HydrophobicContact CG1-CE2 4.37Å; I186-F237 HydrophobicContact CG1-CG 3.95Å; I186-F237 HydrophobicContact CG2-CE2 4.43Å; I186-F237 HydrophobicContact CG2-CZ 4.38Å; Y190-F237 HydrophobicContact CD2-CE1 4.04Å; Y190-F237 HydrophobicContact CE2-CD1 4.46Å; Y190-F237 AromaticContact CE2-CE1 3.69Å; Y190-F237 HydrophobicContact CE2-CE1 3.69Å; V233-F237 HydrophobicContact CG1-CE2 4.44Å; V233-F237 WeakPolarHBondContact O-CD2 3.3Å; V233-F237 WeakPolarHBondContact O-CE2 3.44Å; K235-F237 PolarHBondContact O-N 2.81Å
238S67.6Low60.3Low44 Ų4467.2 Ų67.231%0.30836%0.36SS..SBendtrans-82.7124174.6-168.60000109.5K235 Y264K235-S238 PolarHBondContact O-N 3.37Å; S238-Y264 PolarHBondContact O-OH 2.81Å
239S55.8Low57.3Low58 Ų5876.7 Ų76.741%0.40640%0.401SS..  trans-73.1139.5171.766.20000110.1S241 S242S239-S241 PolarHBondContact O-N 3.47Å; S239-S241 VanDerWaalsContact O-N 3.1Å; S239-S241 PolarHBondContact OG-OG 3.33Å; S239-S242 WeakPolarHBondContact O-CB 3.49Å; S239-S242 PolarHBondContact O-N 3.37Å; S239-S242 PolarHBondContact O-OG 2.84Å; S239-S242 PolarHBondContact OG-OG 3.13Å
240A48Very low54.3Low55 Ų5585.5 Ų85.546%0.45544%0.443SS..THydrogen-bonded Turntrans-59.5-17.7172.700000112.9Y264A240-Y264 HydrophobicContact CB-CD1 4.44Å; A240-Y264 HydrophobicContact CB-CD2 4.06Å; A240-Y264 HydrophobicContact CB-CG 3.99Å
241S37.8Very low51.3Low88 Ų8893.7 Ų93.762%0.61548%0.48SS*.THydrogen-bonded Turntrans-82.5-8.5176.682.30000114.3S239 Q243S239-S241 PolarHBondContact O-N 3.47Å; S239-S241 VanDerWaalsContact O-N 3.1Å; S239-S241 PolarHBondContact OG-OG 3.33Å; S241-Q243 VanDerWaalsContact C-N 3.34Å
242S37.7Very low48.3Very low53 Ų5398.2 Ų98.237%0.37151%0.508SS..SBendtrans-76.4-19.8-175.1-61.30000113.5S239S239-S242 WeakPolarHBondContact O-CB 3.49Å; S239-S242 PolarHBondContact O-N 3.37Å; S239-S242 PolarHBondContact O-OG 2.84Å; S239-S242 PolarHBondContact OG-OG 3.13Å
243Q39.1Very low45.4Very low94 Ų94104.8 Ų104.844%0.43954%0.542SS..SBendtrans-86.9-26.6-176.8-83.2-176.2-2200114.1S241 G245 D262S241-Q243 VanDerWaalsContact C-N 3.34Å; Q243-G245 VanDerWaalsContact C-N 3.25Å; Q243-G245 PolarHBondContact O-N 2.85Å; Q243-D262 PolarHBondContact NE2-OD2 2.99Å; Q243-D262 VanDerWaalsContact OE1-CG 3.25Å; Q243-D262 PolarHBondContact OE1-OD2 3.32Å
244Q30Very low42.6Very low168 Ų168113.4 Ų113.479%0.78558%0.579SS**THydrogen-bonded Turntrans-72.9-16.2175.8-80.2-178.3-33.600113.6
245G26.3Very low39.8Very low67 Ų67114.8 Ų114.869%0.69159%0.59SS**THydrogen-bonded Turntrans-99.9-6.1-174.700000116Q243Q243-G245 VanDerWaalsContact C-N 3.25Å; Q243-G245 PolarHBondContact O-N 2.85Å
246Q27.6Very low37.2Very low164 Ų164124.2 Ų124.277%0.76663%0.631SS**THydrogen-bonded Turntrans-106.8-9.1179.5-78.6-171.6-53.200113.9E248Q246-E248 PolarHBondContact O-N 2.88Å
247E27.8Very low34.7Very low155 Ų155131.1 Ų131.172%0.72466%0.663SS**THydrogen-bonded Turntrans-79.1-8.5-177.7-73-177.8160.700114.5
248E27.6Very low32.7Very low184 Ų184137.7 Ų137.786%0.8670%0.698SS**THydrogen-bonded Turntrans-92.43.4-176.7-72.4-170.316600115.6Q246Q246-E248 PolarHBondContact O-N 2.88Å
249K25.5Very low31Very low199 Ų199145.6 Ų145.687%0.86573%0.727SS**SBendtrans-127.95.4-176.6-87.2-169.5177.8-179.20118.8
250E25.2Very low30Very low186 Ų186146.9 Ų146.987%0.86974%0.736SS**  trans-14169.1169.7-74.6-174159.600111.3
251E25.2Very low30.1Very low182 Ų182148.5 Ų148.585%0.8574%0.736SS**  trans-93.4102.1148.5-79.6-166.4152.700107.6
252D23.4Very low30.7Very low146 Ų146145.4 Ų145.478%0.78171%0.713SS**  -165.3122.9121.5-106.6-27.9000114.4
253L26.3Very low31.7Very low138 Ų138142.9 Ų142.972%0.72370%0.695SS**SBendtrans88.194.4148.2-61.3160.6000120.8
254K26.8Very low32.2Very low188 Ų188139.3 Ų139.382%0.81768%0.678SS**  trans84.985.2137.7-62.7179.2179.21750118.6
255K23.4Very low32.8Very low187 Ų187133.5 Ų133.581%0.81366%0.656SS**  -165.4114.1114.1-102.3175.3-176.7-172.20110E257K255-E257 PolarHBondContact O-N 3.13Å
256K27.4Very low33.9Very low221 Ų221131.4 Ų131.496%0.96163%0.628SS**  trans-73.391.2166.3-90.3177.5168.71750108.2
257E26.1Very low35.1Very low152 Ų152124 Ų12471%0.7159%0.593SS**  trans-137.9116.6163.7-74-175.5166.300109.6K255K255-E257 PolarHBondContact O-N 3.13Å
258L31.3Very low35.8Very low162 Ų162123.6 Ų123.685%0.84859%0.589SS**  trans39.9106.3166.5-64.6113.2000119.3S260L258-S260 PolarHBondContact O-N 3.23Å
259K32Very low36.3Very low211 Ų211121.9 Ų121.992%0.91758%0.581SS**  trans-57.8101.4158.1-69.2179.4176.6-174.90108.7L261K259-L261 PolarHBondContact O-N 3.43Å
260S34.9Very low36.6Very low84 Ų84117 Ų11759%0.58757%0.568SS**PPolyproline II helixtrans-70.1118.917445.90000109.3L258 D262L258-S260 PolarHBondContact O-N 3.23Å; S260-D262 PolarHBondContact O-N 3.29Å
261L49.9Very low37.1Very low90 Ų90114 Ų11447%0.47156%0.558SS.*PPolyproline II helixtrans-70.4116.8173.8-74155.2000108.4K259 F266K259-L261 PolarHBondContact O-N 3.43Å; L261-F266 HydrophobicContact CB-CE2 4.13Å; L261-F266 HydrophobicContact CB-CZ 4.19Å
262D51.9Low37.4Very low22 Ų22110.7 Ų110.712%0.11855%0.55CS.*PPolyproline II helixtrans-69.4142.6-178.4-11424.7000111.2K235 Q243 S260 Y264 S265K235-D262 IonicContact NZ-OD1 3.54Å; K235-D262 PolarHBondContact NZ-OD1 3.43Å; K235-D262 IonicContact NZ-OD2 3.42Å; K235-D262 PolarHBondContact NZ-OD2 2.68Å; Q243-D262 PolarHBondContact NE2-OD2 2.99Å; Q243-D262 VanDerWaalsContact OE1-CG 3.25Å; Q243-D262 PolarHBondContact OE1-OD2 3.32Å; S260-D262 PolarHBondContact O-N 3.29Å; D262-Y264 HydrophobicContact CB-CD2 4.49Å; D262-Y264 PolarHBondContact O-N 2.85Å; D262-S265 PolarHBondContact O-N 2.93Å; D262-S265 PolarHBondContact O-OG 3.36Å
263I58.6Low37.7Very low0 Ų0111 Ų1110%055%0.551CS.*Hα-helixtrans-44.6-32.9178.4-74.1-177.8000113.4Y210 F214 Y231 L232 S265 F266 I267 V298Y210-I263 HydrophobicContact CD2-CG2 4.43Å; Y210-I263 HydrophobicContact CE2-CG2 4.11Å; F214-I263 HydrophobicContact CB-CG1 4.07Å; F214-I263 HydrophobicContact CD1-CD1 3.79Å; F214-I263 HydrophobicContact CD1-CG1 3.62Å; F214-I263 HydrophobicContact CD2-CB 4.15Å; F214-I263 HydrophobicContact CD2-CD1 4.25Å; F214-I263 HydrophobicContact CD2-CG1 3.2Å; F214-I263 HydrophobicContact CE1-CD1 3.79Å; F214-I263 HydrophobicContact CE1-CG1 3.77Å; F214-I263 HydrophobicContact CE2-CB 4.38Å; F214-I263 HydrophobicContact CE2-CD1 4.22Å; F214-I263 HydrophobicContact CE2-CG1 3.32Å; F214-I263 HydrophobicContact CG-CB 4.49Å; F214-I263 HydrophobicContact CG-CD1 4.03Å; F214-I263 HydrophobicContact CG-CG1 3.34Å; F214-I263 HydrophobicContact CZ-CD1 4.02Å; F214-I263 HydrophobicContact CZ-CG1 3.64Å; Y231-I263 HydrophobicContact CD1-CD1 3.76Å; Y231-I263 HydrophobicContact CE1-CD1 3.37Å; Y231-I263 HydrophobicContact CE1-CG1 3.78Å; L232-I263 HydrophobicContact CD2-CD1 3.34Å; L232-I263 HydrophobicContact CG-CD1 4.32Å; I263-S265 PolarHBondContact O-N 3.16Å; I263-F266 PolarHBondContact O-N 3.06Å; I263-F266 VanDerWaalsContact O-N 3.12Å; I263-I267 HydrophobicContact CG2-CD1 3.79Å; I263-I267 HydrophobicContact CG2-CG1 4.3Å; I263-I267 PolarHBondContact O-N 2.87Å; I263-V298 HydrophobicContact CG2-CG2 3.73Å
264Y49.4Very low38.3Very low19 Ų19112.2 Ų112.28%0.07556%0.558CS.*Hα-helixtrans-63.1-22.5-178.5-60.1-56.5000115K235 S238 A240 D262 I267 Q297 V298K235-Y264 HydrophobicContact CD-CE2 3.97Å; K235-Y264 PolarHBondContact O-OH 3.48Å; S238-Y264 PolarHBondContact O-OH 2.81Å; A240-Y264 HydrophobicContact CB-CD1 4.44Å; A240-Y264 HydrophobicContact CB-CD2 4.06Å; A240-Y264 HydrophobicContact CB-CG 3.99Å; D262-Y264 HydrophobicContact CB-CD2 4.49Å; D262-Y264 PolarHBondContact O-N 2.85Å; Y264-I267 HydrophobicContact CD1-CD1 4.11Å; Y264-Q297 HydrophobicContact CD1-CB 3.88Å; Y264-Q297 HydrophobicContact CE1-CB 3.84Å; Y264-V298 HydrophobicContact CE1-CG2 3.95Å
265S43Very low38.4Very low46 Ų46111.2 Ų111.232%0.32256%0.561SS.*Hα-helixtrans-67.6-39.8172.357.80000111.4D262 I263 I267 K268D262-S265 PolarHBondContact O-N 2.93Å; D262-S265 PolarHBondContact O-OG 3.36Å; I263-S265 PolarHBondContact O-N 3.16Å; S265-I267 VanDerWaalsContact C-N 3.3Å; S265-I267 PolarHBondContact O-N 3Å; S265-K268 PolarHBondContact O-N 2.81Å
266F48.8Very low38.5Very low23 Ų23106.5 Ų106.510%0.10156%0.557CS.*Hα-helixtrans-73.6-21.5-178-56.3-82.9000113.2D213 F214 E217 L261 I263 K268D213-F266 HydrophobicContact CB-CD1 3.88Å; D213-F266 HydrophobicContact CB-CE1 4.45Å; F214-F266 HydrophobicContact CB-CD2 4.07Å; F214-F266 HydrophobicContact CB-CE2 4.33Å; F214-F266 HydrophobicContact CD2-CD2 4.24Å; F214-F266 HydrophobicContact CD2-CE2 4.05Å; E217-F266 HydrophobicContact CB-CZ 3.9Å; E217-F266 HydrophobicContact CG-CE1 3.83Å; E217-F266 HydrophobicContact CG-CZ 3.59Å; L261-F266 HydrophobicContact CB-CE2 4.13Å; L261-F266 HydrophobicContact CB-CZ 4.19Å; I263-F266 PolarHBondContact O-N 3.06Å; I263-F266 VanDerWaalsContact O-N 3.12Å; F266-K268 VanDerWaalsContact C-N 3.35Å
267I52.9Low38.8Very low8 Ų8101.6 Ų101.64%0.04155%0.548CS..Hα-helixtrans-77-23.5176.5-62.3173.2000111.7Y210 I263 Y264 S265 N271 Q297 V298Y210-I267 HydrophobicContact CD2-CD1 4.45Å; Y210-I267 HydrophobicContact CD2-CG1 3.75Å; Y210-I267 HydrophobicContact CE1-CG1 4.37Å; Y210-I267 HydrophobicContact CE2-CD1 3.81Å; Y210-I267 HydrophobicContact CE2-CG1 3.55Å; Y210-I267 HydrophobicContact CG-CG1 4.29Å; I263-I267 HydrophobicContact CG2-CD1 3.79Å; I263-I267 HydrophobicContact CG2-CG1 4.3Å; I263-I267 PolarHBondContact O-N 2.87Å; Y264-I267 HydrophobicContact CD1-CD1 4.11Å; S265-I267 VanDerWaalsContact C-N 3.3Å; S265-I267 PolarHBondContact O-N 3Å; I267-N271 PolarHBondContact O-ND2 3.37Å; I267-Q297 HydrophobicContact CD1-CB 3.78Å; I267-Q297 WeakPolarHBondContact CD1-O 3.27Å; I267-Q297 HydrophobicContact CG2-CB 4.15Å; I267-Q297 HydrophobicContact CG2-CG 4.09Å; I267-V298 HydrophobicContact CD1-CG2 3.7Å
268K41.6Very low39Very low148 Ų148104.2 Ų104.264%0.64355%0.553SS**Hα-helixtrans-75.8-28.8179.6-82-177.5175.5178.50113.1S265 F266 T270 N271S265-K268 PolarHBondContact O-N 2.81Å; F266-K268 VanDerWaalsContact C-N 3.35Å; K268-T270 PolarHBondContact O-N 2.96Å; K268-N271 PolarHBondContact O-N 2.9Å
269E37.9Very low39.1Very low147 Ų147103.3 Ų103.369%0.68755%0.549SS*.Hα-helixtrans-71.3-31-176.7-68.4-176.1169.800112.6T272E269-T272 PolarHBondContact O-OG1 2.9Å
270T33.6Very low39.2Very low98 Ų9897.7 Ų97.760%0.60154%0.541SS*.Hα-helixtrans-79.4-20178.6170000114.3K268K268-T270 PolarHBondContact O-N 2.96Å
271N35.6Very low39.2Very low122 Ų12298.9 Ų98.965%0.65255%0.549SS*.THydrogen-bonded Turntrans-92.38.5-173.9-80.6-51000114.9I267 K268 L273I267-N271 PolarHBondContact O-ND2 3.37Å; K268-N271 PolarHBondContact O-N 2.9Å; N271-L273 VanDerWaalsContact C-N 3.34Å
272T31.1Very low38.6Very low112 Ų112106.2 Ų106.269%0.68757%0.57SS**THydrogen-bonded Turntrans-85.7-4.3178.854.60000114E269E269-T272 PolarHBondContact O-OG1 2.9Å
273L29Very low38Very low152 Ų152112.2 Ų112.280%0.79660%0.602SS**SBendtrans-106.2100.9171.7-71.6168.3000109.8N271 L275N271-L273 VanDerWaalsContact C-N 3.34Å; L273-L275 PolarHBondContact O-N 2.56Å
274N38.7Very low36.9Very low164 Ų164115.4 Ų115.488%0.87763%0.629SS**  trans-31.6118.2173.2-68.6-40.9000114.4
275L28.6Very low36.3Very low168 Ų168117.7 Ų117.788%0.8865%0.647SS**  trans-111.6108.7150.9-122.892.5000108.6L273L273-L275 PolarHBondContact O-N 2.56Å
276A26.7Very low35.9Very low88 Ų88127.3 Ų127.373%0.72768%0.676SS**  trans-60.9132171.800000110.1Y278A276-Y278 PolarHBondContact O-N 2.8Å
277P33.9Very low35.7Very low118 Ų118129.1 Ų129.177%0.76670%0.702SS**  trans-90.693.1-178.933.7-29000109.9
278Y30.5Very low35Very low206 Ų206130 Ų13081%0.80871%0.706SS**  trans-142.5132.5158.8-156.4-98.8000107.6A276A276-Y278 PolarHBondContact O-N 2.8Å
279D32.3Very low35Very low144 Ų144131.9 Ų131.977%0.7771%0.709SS**  trans83.346178.9-61.9-23.2000120.1
280A34Very low35Very low92 Ų92133.3 Ų133.376%0.7671%0.709SS**  trans-101.4114.1153.700000110.4W282A280-W282 PolarHBondContact O-N 3.26Å
281C35.3Very low35.3Very low109 Ų109134.4 Ų134.474%0.73671%0.707SS**  trans-37.1121.3-176.7-75.10000115.5N283 A284C281-N283 PolarHBondContact O-N 2.85Å; C281-A284 PolarHBondContact O-N 2.94Å
282W38.2Very low35.7Very low244 Ų244131.5 Ų131.592%0.92469%0.691SS**THydrogen-bonded Turntrans-52.9-8.1-179.6-151.2-71.8000116A280A280-W282 PolarHBondContact O-N 3.26Å
283N37.7Very low36.2Very low148 Ų148128.9 Ų128.979%0.79167%0.673SS**THydrogen-bonded Turntrans-109.4-5.3-169.9-69.1-21000115.5C281C281-N283 PolarHBondContact O-N 2.85Å
284A35.5Very low36.8Very low67 Ų67125.9 Ų125.955%0.55467%0.665SS**SBendtrans-85.4-12.4-17800000114.4C281 R286C281-A284 PolarHBondContact O-N 2.94Å; A284-R286 PolarHBondContact O-N 3.13Å
285C36.9Very low37Very low68 Ų68127.8 Ų127.846%0.45966%0.659SS.*  trans-95.624.6-168.2-54.40000115.1G287C285-G287 VanDerWaalsContact C-N 3.26Å; C285-G287 PolarHBondContact O-N 2.74Å
286R35.3Very low38.1Very low247 Ų247120.6 Ų120.693%0.93262%0.623SS**SBendtrans-74.182.6171.3-84.3-166176.9-145.51.7110.3A284A284-R286 PolarHBondContact O-N 3.13Å
287G44.6Very low40Very low62 Ų62119.8 Ų119.864%0.63961%0.605SS**SBendtrans163.6-49.4169.300000113.3C285C285-G287 VanDerWaalsContact C-N 3.26Å; C285-G287 PolarHBondContact O-N 2.74Å
288D38.9Very low42.1Very low27 Ų27114.2 Ų114.214%0.14457%0.568CS.*SBendtrans-96.4126179-68.8-41.4000109.9R166 W290 L293 Y301R166-D288 IonicContact NH1-OD1 2.76Å; R166-D288 PolarHBondContact NH1-OD1 2.92Å; D288-W290 PolarHBondContact O-N 3.37Å; D288-L293 HydrophobicContact CB-CD1 4.02Å; D288-Y301 PolarHBondContact OD2-OH 3.04Å
289R39.7Very low44.6Very low187 Ų187106.2 Ų106.271%0.70654%0.536SS*.  trans-61.7139.1166-69.2-178.9178.5-173.90.6107.2E291 D292R289-E291 PolarHBondContact O-N 3.02Å; R289-D292 WeakPolarHBondContact O-CB 3.44Å; R289-D292 PolarHBondContact O-N 3.47Å
290W39Very low47.2Very low177 Ų17799.3 Ų99.367%0.6750%0.5SS*.Hα-helixtrans-48.4-29.6176.6-177.3-97.5000112.9D288 D292 L293 S294D288-W290 PolarHBondContact O-N 3.37Å; W290-D292 PolarHBondContact O-N 2.91Å; W290-L293 WeakPolarHBondContact O-CB 3.27Å; W290-L293 PolarHBondContact O-N 2.8Å; W290-S294 PolarHBondContact O-N 3.33Å
291E40.3Very low49.9Very low121 Ų12195.1 Ų95.157%0.56546%0.464SS*.Hα-helixtrans-63.8-33.7174.9-62.8179.4165.900114R289 S294 R295R289-E291 PolarHBondContact O-N 3.02Å; E291-S294 PolarHBondContact O-N 3.46Å; E291-S294 PolarHBondContact O-OG 2.81Å; E291-R295 PolarHBondContact O-N 2.76Å
292D42.9Very low52.4Low60 Ų6090 Ų9032%0.32143%0.429SS..Hα-helixtrans-76.8-31.7178.1-69.3-47000112.3R289 W290 S294 R295 S296R289-D292 WeakPolarHBondContact O-CB 3.44Å; R289-D292 PolarHBondContact O-N 3.47Å; W290-D292 PolarHBondContact O-N 2.91Å; D292-S294 VanDerWaalsContact C-N 3.28Å; D292-S294 PolarHBondContact O-N 3.16Å; D292-R295 PolarHBondContact O-N 3.48Å; D292-S296 PolarHBondContact O-N 2.99Å
293L43.1Very low54.8Low58 Ų5880 Ų8030%0.30439%0.393SS..Hα-helixtrans-61.6-39.1171.1-121.878.4000110.7D288 W290 R299D288-L293 HydrophobicContact CB-CD1 4.02Å; W290-L293 WeakPolarHBondContact O-CB 3.27Å; W290-L293 PolarHBondContact O-N 2.8Å; L293-R299 PolarHBondContact O-NH2 3.19Å
294S40.2Very low57Low89 Ų8974.4 Ų74.462%0.62236%0.363SS*.Hα-helixtrans-77.2-22.6-178.674.80000114.8W290 E291 D292W290-S294 PolarHBondContact O-N 3.33Å; E291-S294 PolarHBondContact O-N 3.46Å; E291-S294 PolarHBondContact O-OG 2.81Å; D292-S294 VanDerWaalsContact C-N 3.28Å; D292-S294 PolarHBondContact O-N 3.16Å
295R43.2Very low59.2Low203 Ų20371.5 Ų71.577%0.76634%0.338SS*.Hα-helixtrans-105.1-27.5-170.4-77.7-179.4167.2174.7-1.9115.3E291 D292 Q297E291-R295 PolarHBondContact O-N 2.76Å; D292-R295 PolarHBondContact O-N 3.48Å; R295-Q297 PolarHBondContact O-N 3.39Å
296S52.4Low60.8Low17 Ų1777.3 Ų77.312%0.11936%0.355CS..  trans-93.7101.4-179.1-161.60000109.9Q236 D292 V298 R299Q236-S296 PolarHBondContact O-OG 2.99Å; Q236-S296 VanDerWaalsContact O-OG 3.13Å; D292-S296 PolarHBondContact O-N 2.99Å; S296-V298 VanDerWaalsContact C-N 3.31Å; S296-V298 PolarHBondContact OG-O 3.19Å; S296-V298 VanDerWaalsContact OG-O 3.05Å; S296-R299 PolarHBondContact O-NE 3.34Å
297Q65.4Low62.5Low72 Ų7274 Ų7434%0.33635%0.35SS..SBendtrans-70.3-26.6179.4-82.2179.8-7.500112.5Y264 I267 R295Y264-Q297 HydrophobicContact CD1-CB 3.88Å; Y264-Q297 HydrophobicContact CE1-CB 3.84Å; I267-Q297 HydrophobicContact CD1-CB 3.78Å; I267-Q297 WeakPolarHBondContact CD1-O 3.27Å; I267-Q297 HydrophobicContact CG2-CB 4.15Å; I267-Q297 HydrophobicContact CG2-CG 4.09Å; R295-Q297 PolarHBondContact O-N 3.39Å
298V78.9Confident63.7Low0 Ų073.4 Ų73.40%034%0.344CS..  trans-114.1128.1175.3-178.70000109.7S127 L232 Q236 I263 Y264 I267 S296S127-V298 WeakPolarHBondContact OG-CA 3.44Å; L232-V298 HydrophobicContact CB-CG1 4.39Å; L232-V298 HydrophobicContact CD2-CG1 3.83Å; Q236-V298 HydrophobicContact CG-CG1 4.24Å; Q236-V298 WeakPolarHBondContact CG-O 3.48Å; I263-V298 HydrophobicContact CG2-CG2 3.73Å; Y264-V298 HydrophobicContact CE1-CG2 3.95Å; I267-V298 HydrophobicContact CD1-CG2 3.7Å; S296-V298 VanDerWaalsContact C-N 3.31Å; S296-V298 PolarHBondContact OG-O 3.19Å; S296-V298 VanDerWaalsContact OG-O 3.05Å
299R83.8Confident65.3Low38 Ų3872.8 Ų72.814%0.14334%0.341CS..  trans-132.3120.1-177.7-52.8177-168.2146.42.6109.8Y124 D125 S127 L128 L293 S296 Y301Y124-R299 PolarHBondContact O-NH1 3.37Å; Y124-R299 VanDerWaalsContact O-NH1 3.09Å; D125-R299 PolarHBondContact O-NH1 3.05Å; D125-R299 IonicContact OD2-NH1 3.61Å; S127-R299 WeakPolarHBondContact CA-O 3.5Å; S127-R299 VanDerWaalsContact CB-O 3.3Å; S127-R299 WeakPolarHBondContact CB-O 3.48Å; S127-R299 PolarHBondContact N-O 3.38Å; S127-R299 PolarHBondContact OG-N 3.19Å; S127-R299 PolarHBondContact OG-O 3.4Å; L128-R299 PolarHBondContact N-O 3.34Å; L128-R299 VanDerWaalsContact N-O 3.15Å; L293-R299 PolarHBondContact O-NH2 3.19Å; S296-R299 PolarHBondContact O-NE 3.34Å; R299-Y301 HydrophobicContact CB-CD2 4.45Å; R299-Y301 HydrophobicContact CB-CE2 3.93Å
300C86.9Confident67.1Low0 Ų064.2 Ų64.20%031%0.309CS..EExtended strand (participates in β ladder)trans-114.4128.9174.2-42.20000110.9L128 L167 V233 Q236L128-C300 HydrophobicContact CB-CB 4.1Å; L128-C300 HydrophobicContact CD2-CB 4.19Å; L128-C300 CarbonylContact O-C 3.46Å; L128-C300 VanDerWaalsContact O-CA 3.29Å; L128-C300 WeakPolarHBondContact O-CA 3.45Å; L167-C300 HydrophobicContact CB-CB 4.48Å; L167-C300 PolarHBondContact N-O 3.41Å; L167-C300 VanDerWaalsContact N-O 3.13Å; V233-C300 HydrophobicContact CG2-CB 4.46Å; Q236-C300 VanDerWaalsContact NE2-CA 3.33Å; Q236-C300 PolarHBondContact NE2-SG 3.3Å
301Y89Confident69Low4 Ų456.1 Ų56.12%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-116.9151.4178.3-72.9-91.2000110.4Y124 A126 L128 A129 M130 K165 R166 D288 R299Y124-Y301 VanDerWaalsContact CB-CZ 3.41Å; Y124-Y301 HydrophobicContact CD1-CE1 4.11Å; Y124-Y301 AromaticContact CD1-CZ 3.86Å; Y124-Y301 WeakPolarHBondContact CD1-OH 2.79Å; Y124-Y301 HydrophobicContact CD2-CD1 4.13Å; Y124-Y301 AromaticContact CD2-CE1 3.85Å; Y124-Y301 HydrophobicContact CD2-CE1 3.85Å; Y124-Y301 HydrophobicContact CE2-CE1 4.32Å; Y124-Y301 HydrophobicContact CG-CD1 4.39Å; Y124-Y301 AromaticContact CG-CE1 3.74Å; Y124-Y301 HydrophobicContact CG-CE1 3.74Å; Y124-Y301 HydrophobicContact CG-CE2 4.02Å; Y124-Y301 AromaticContact CG-CZ 3.52Å; A126-Y301 HydrophobicContact CB-CD2 3.58Å; A126-Y301 HydrophobicContact CB-CE2 4.21Å; L128-Y301 PolarHBondContact O-N 2.76Å; A129-Y301 WeakPolarHBondContact CA-O 3.34Å; M130-Y301 PolarHBondContact N-O 3.46Å; K165-Y301 HydrophobicContact CB-CD1 4.24Å; K165-Y301 CarbonylContact O-C 3.49Å; K165-Y301 VanDerWaalsContact O-CA 3.3Å; K165-Y301 WeakPolarHBondContact O-CA 3.39Å; K165-Y301 WeakPolarHBondContact O-CD1 3.23Å; R166-Y301 HydrophobicContact CB-CD1 4.41Å; R166-Y301 HydrophobicContact CB-CE1 4.22Å; R166-Y301 HydrophobicContact CG-CE1 4.5Å; D288-Y301 PolarHBondContact OD2-OH 3.04Å; R299-Y301 HydrophobicContact CB-CD2 4.45Å; R299-Y301 HydrophobicContact CB-CE2 3.93Å
302V88.6Confident71.1Confident1 Ų153 Ų531%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-127.4132176.460.60000109.2M130 M132 V160 K165 L167 I304M130-V302 HydrophobicContact CG-CB 4.07Å; M130-V302 HydrophobicContact CG-CG2 3.98Å; M130-V302 CarbonylContact O-C 3.57Å; M130-V302 WeakPolarHBondContact O-CA 3.23Å; M132-V302 HydrophobicContact CB-CG2 4.02Å; M132-V302 HydrophobicContact CG-CG2 3.55Å; M132-V302 HydrophobicContact SD-CG2 3.75Å; V160-V302 HydrophobicContact CG1-CG1 3.63Å; K165-V302 WeakPolarHBondContact CA-O 3.46Å; K165-V302 PolarHBondContact O-N 3.49Å; L167-V302 HydrophobicContact CB-CG1 4.3Å; V302-I304 HydrophobicContact CG2-CG1 4.21Å
303H88.1Confident72.9Confident33 Ų3350.1 Ų50.115%0.15325%0.247CC..EExtended strand (participates in β ladder)trans-95.8114.5166.4-174.893.6000108.3E116 V117 L120 M130 L131 M132E116-H303 IonicContact OE2-CE1 3.71Å; E116-H303 PolarHBondContact OE2-CE1 3.43Å; E116-H303 IonicContact OE2-NE2 2.92Å; E116-H303 PolarHBondContact OE2-NE2 2.87Å; V117-H303 HydrophobicContact CG2-CB 3.59Å; L120-H303 HydrophobicContact CD1-CB 3.75Å; M130-H303 PolarHBondContact O-N 2.83Å; L131-H303 HydrophobicContact CD1-CB 4.21Å; M132-H303 PolarHBondContact N-O 3.42Å
304I85.4Confident74.5Confident31 Ų3148.6 Ų48.616%0.15924%0.242CC..EExtended strand (participates in β ladder)trans-93.6110.4173.3-58.9172.2000108.9V160 L199 V302V160-I304 HydrophobicContact CG1-CD1 4.11Å; V160-I304 HydrophobicContact CG2-CD1 4.28Å; L199-I304 HydrophobicContact CD1-CD1 3.85Å; L199-I304 HydrophobicContact CD1-CG1 4.12Å; L199-I304 HydrophobicContact CD2-CG2 3.8Å; V302-I304 HydrophobicContact CG2-CG1 4.21Å
305M80.3Confident76.3Confident6 Ų646.2 Ų46.23%0.0322%0.223CC..EExtended strand (participates in β ladder)trans-68.7132.2177-175-169.8-179.600111.3V112 L131 M132 R133 E307 G308 C310V112-M305 HydrophobicContact CG2-CE 3.28Å; V112-M305 HydrophobicContact CG2-CG 3.77Å; V112-M305 HydrophobicContact CG2-SD 3.18Å; V112-M305 WeakPolarHBondContact CG2-SD 3.27Å; L131-M305 HydrophobicContact CD1-CB 4.39Å; M132-M305 PolarHBondContact O-N 2.88Å; R133-M305 HydrophobicContact CB-SD 4.47Å; R133-M305 HydrophobicContact CG-SD 3.99Å; M305-E307 VanDerWaalsContact CE-C 3.49Å; M305-E307 WeakPolarHBondContact CE-O 3.49Å; M305-G308 VanDerWaalsContact CE-O 3.23Å; M305-G308 WeakPolarHBondContact CE-O 3.46Å; M305-C310 HydrophobicContact CE-CB 4.21Å; M305-C310 HydrophobicContact SD-CB 3.45Å; M305-C310 WeakPolarHBondContact SD-CB 3.44Å
306K71.8Confident78Confident191 Ų19137.4 Ų37.483%0.8319%0.191SC*.  trans-100-38.8177.3-66.5-179.4-177.1173.10113.2
307E69.2Low79.3Confident177 Ų17737.3 Ų37.383%0.82719%0.193SC*.SBendtrans-137.8146.6-173-65.5-176-176.500110.8M305M305-E307 VanDerWaalsContact CE-C 3.49Å; M305-E307 WeakPolarHBondContact CE-O 3.49Å
308G69.9Low80Confident49 Ų4936 Ų3651%0.50519%0.188SC..SBendtrans108.5-179-178.500000114R133 M305R133-G308 PolarHBondContact NH2-O 2.87Å; M305-G308 VanDerWaalsContact CE-O 3.23Å; M305-G308 WeakPolarHBondContact CE-O 3.46Å
309L73.4Confident80.3Confident14 Ų1436 Ų367%0.07319%0.188CC..  trans-95.6132.1173.1-154.769.3000112.7I109 T110 D111 Q325 L329I109-L309 HydrophobicContact CG2-CD2 4.31Å; T110-L309 WeakPolarHBondContact CA-O 3.44Å; D111-L309 HydrophobicContact CB-CB 4.47Å; D111-L309 PolarHBondContact N-O 2.85Å; D111-L309 WeakPolarHBondContact OD2-CB 3.22Å; D111-L309 PolarHBondContact OD2-N 3.06Å; L309-Q325 HydrophobicContact CD1-CB 3.95Å; L309-Q325 HydrophobicContact CD1-CG 4.14Å; L309-Q325 HydrophobicContact CD2-CB 3.74Å; L309-L329 HydrophobicContact CB-CD1 3.9Å; L309-L329 HydrophobicContact CD2-CD1 3.22Å; L309-L329 HydrophobicContact CD2-CG 4.33Å; L309-L329 HydrophobicContact CG-CD1 4.12Å
310C77.3Confident80.1Confident7 Ų736 Ų365%0.04719%0.191CC..EExtended strand (participates in β ladder)trans-148.592.8165.5165.20000107.8I109 T110 V112 R133 A202 M305I109-C310 CarbonylContact O-C 3.52Å; I109-C310 VanDerWaalsContact O-CA 3.23Å; I109-C310 WeakPolarHBondContact O-CA 3.15Å; T110-C310 HydrophobicContact CG2-CB 4.29Å; V112-C310 HydrophobicContact CG2-CB 4.44Å; R133-C310 HydrophobicContact CB-CB 4.34Å; R133-C310 WeakPolarHBondContact CD-O 3.01Å; R133-C310 HydrophobicContact CG-CB 4.37Å; R133-C310 PolarHBondContact NH1-O 3.21Å; A202-C310 WeakPolarHBondContact CB-SG 3.36Å; M305-C310 HydrophobicContact CE-CB 4.21Å; M305-C310 HydrophobicContact SD-CB 3.45Å; M305-C310 WeakPolarHBondContact SD-CB 3.44Å
311S79.1Confident79.8Confident7 Ų738.3 Ų38.35%0.04920%0.201CC..EExtended strand (participates in β ladder)trans-110.6129.6179.4-165.80000109.4I109I109-S311 PolarHBondContact N-O 2.93Å; I109-S311 PolarHBondContact O-N 3.47Å
312R83.6Confident79.5Confident55 Ų5538.1 Ų38.121%0.20820%0.201CC..EExtended strand (participates in β ladder)trans-98.1111.9170.2-174.8178174.1-170.4-3.4108.4D107 D201 H203 S314 L318D107-R312 WeakPolarHBondContact O-CA 3.48Å; D107-R312 IonicContact OD1-NE 2.64Å; D107-R312 IonicContact OD2-NE 3.24Å; D107-R312 PolarHBondContact OD2-NE 3.27Å; D201-R312 WeakPolarHBondContact O-CD 3.45Å; H203-R312 VanDerWaalsContact ND1-CZ 3.3Å; H203-R312 PolarHBondContact ND1-NH2 3.15Å; R312-S314 VanDerWaalsContact C-N 3.33Å; R312-S314 PolarHBondContact O-N 2.93Å; R312-L318 WeakPolarHBondContact O-CD1 3.47Å
313V81.8Confident79.3Confident0 Ų038.5 Ų38.50%020%0.202CC..  trans-81.381.2-175.2-177.90000109.8K25 L35 D107 I109 Y319 A322K25-V313 WeakPolarHBondContact CE-O 2.91Å; K25-V313 PolarHBondContact NZ-O 2.93Å; L35-V313 HydrophobicContact CD1-CB 4.26Å; L35-V313 HydrophobicContact CD1-CG1 4.11Å; L35-V313 HydrophobicContact CD2-CB 4.16Å; L35-V313 HydrophobicContact CD2-CG2 3.99Å; D107-V313 HydrophobicContact CB-CB 4.39Å; D107-V313 WeakPolarHBondContact CB-O 3.38Å; D107-V313 PolarHBondContact O-N 2.89Å; I109-V313 HydrophobicContact CD1-CG2 3.75Å; I109-V313 HydrophobicContact CG1-CG2 4.45Å; V313-Y319 HydrophobicContact CG1-CD2 3.73Å; V313-Y319 HydrophobicContact CG1-CG 4.16Å; V313-A322 HydrophobicContact CG2-CB 3.77Å
314S76.6Confident78.9Confident26 Ų2640.9 Ų40.918%0.18221%0.21CC..  trans-101.6-23176.363.80000114.2R15 R312R15-S314 WeakPolarHBondContact CB-O 3.45Å; R312-S314 VanDerWaalsContact C-N 3.33Å; R312-S314 PolarHBondContact O-N 2.93Å
315T78.6Confident78.6Confident39 Ų3940.5 Ų40.524%0.23921%0.208CC..SBendtrans-131.2152.5-169.6-48.30000109.4G317 L318 Y319T315-G317 VanDerWaalsContact C-N 3.27Å; T315-G317 PolarHBondContact O-N 3.44Å; T315-L318 PolarHBondContact O-N 3.38Å; T315-L318 VanDerWaalsContact O-N 3.08Å; T315-Y319 PolarHBondContact O-N 3.09Å
316L79.1Confident78.6Confident18 Ų1840.2 Ų40.29%0.09421%0.206CC..Hα-helixtrans-52.9-41.3177.5-176.166.8000113.3L19 V142 Y319 M320 L425L19-L316 HydrophobicContact CD1-CD1 3.46Å; L19-L316 VanDerWaalsContact CD1-CD1 3.46Å; L19-L316 HydrophobicContact CG-CD1 4.06Å; V142-L316 HydrophobicContact CG1-CB 4.16Å; V142-L316 HydrophobicContact CG1-CD2 3.92Å; V142-L316 HydrophobicContact CG1-CG 4.1Å; L316-Y319 HydrophobicContact CD1-CD1 4.4Å; L316-Y319 WeakPolarHBondContact O-CB 3.48Å; L316-Y319 PolarHBondContact O-N 2.89Å; L316-M320 HydrophobicContact CD1-CE 3.78Å; L316-M320 HydrophobicContact CD2-CE 4.03Å; L316-M320 HydrophobicContact CG-CE 3.67Å; L316-M320 PolarHBondContact O-N 2.82Å; L316-M320 VanDerWaalsContact O-N 3.1Å; L316-L425 HydrophobicContact CD2-CD2 4.04Å
317G78.7Confident78.8Confident16 Ų1631.6 Ų31.617%0.16517%0.17CC..Hα-helixtrans-62.2-44.4176.500000113.1T315 Y319 M320 E321T315-G317 VanDerWaalsContact C-N 3.27Å; T315-G317 PolarHBondContact O-N 3.44Å; G317-Y319 VanDerWaalsContact C-N 3.28Å; G317-Y319 PolarHBondContact O-N 2.64Å; G317-M320 PolarHBondContact O-N 2.77Å; G317-E321 PolarHBondContact O-N 2.78Å
318L79.9Confident79Confident44 Ų4430.4 Ų30.423%0.2316%0.162CC..Hα-helixtrans-67.2-30.8176.6-66.5172.3000112.1R312 T315 A322R312-L318 WeakPolarHBondContact O-CD1 3.47Å; T315-L318 PolarHBondContact O-N 3.38Å; T315-L318 VanDerWaalsContact O-N 3.08Å; L318-A322 WeakPolarHBondContact O-CB 3.4Å; L318-A322 PolarHBondContact O-N 2.87Å
319Y84.8Confident79.1Confident0 Ų028.6 Ų28.60%014%0.141CC..Hα-helixtrans-65.9-40.5173.7178-118.5000112.5M16 L19 L28 P29 V30 V313 T315 L316 G317 N323 L391M16-Y319 HydrophobicContact CE-CG 4.43Å; L19-Y319 HydrophobicContact CD1-CD1 3.58Å; L19-Y319 HydrophobicContact CD1-CE1 3.62Å; L19-Y319 HydrophobicContact CD1-CG 4.38Å; L28-Y319 HydrophobicContact CB-CE2 4.31Å; P29-Y319 VanDerWaalsContact O-CE2 3.28Å; P29-Y319 WeakPolarHBondContact O-CE2 3.43Å; P29-Y319 VanDerWaalsContact O-CZ 3.31Å; P29-Y319 PolarHBondContact O-OH 3.32Å; V30-Y319 HydrophobicContact CG2-CD2 3.71Å; V30-Y319 HydrophobicContact CG2-CE2 3.41Å; V30-Y319 VanDerWaalsContact CG2-CE2 3.41Å; V313-Y319 HydrophobicContact CG1-CD2 3.73Å; V313-Y319 HydrophobicContact CG1-CG 4.16Å; T315-Y319 PolarHBondContact O-N 3.09Å; L316-Y319 HydrophobicContact CD1-CD1 4.4Å; L316-Y319 WeakPolarHBondContact O-CB 3.48Å; L316-Y319 PolarHBondContact O-N 2.89Å; G317-Y319 VanDerWaalsContact C-N 3.28Å; G317-Y319 PolarHBondContact O-N 2.64Å; Y319-N323 WeakPolarHBondContact CE2-ND2 3.3Å; Y319-N323 PolarHBondContact O-N 3.15Å; Y319-N323 PolarHBondContact O-ND2 3.31Å; Y319-L391 HydrophobicContact CD1-CD2 4.04Å; Y319-L391 HydrophobicContact CE1-CD2 3.17Å; Y319-L391 WeakPolarHBondContact OH-CD2 3.42Å
320M80Confident79Confident38 Ų3828.6 Ų28.619%0.18714%0.141CC..Hα-helixtrans-70.3-43.2175.2-64.9-165.7-154.200112.1P143 L316 G317 A322 N323 R324 V408P143-M320 HydrophobicContact CB-CE 3.67Å; P143-M320 HydrophobicContact CB-SD 4.5Å; P143-M320 WeakPolarHBondContact CD-SD 3.42Å; P143-M320 HydrophobicContact CG-CE 3.22Å; P143-M320 HydrophobicContact CG-SD 3.44Å; P143-M320 WeakPolarHBondContact CG-SD 3.41Å; L316-M320 HydrophobicContact CD1-CE 3.78Å; L316-M320 HydrophobicContact CD2-CE 4.03Å; L316-M320 HydrophobicContact CG-CE 3.67Å; L316-M320 PolarHBondContact O-N 2.82Å; L316-M320 VanDerWaalsContact O-N 3.1Å; G317-M320 PolarHBondContact O-N 2.77Å; M320-A322 VanDerWaalsContact C-N 3.3Å; M320-A322 PolarHBondContact O-N 2.83Å; M320-N323 PolarHBondContact O-N 3.4Å; M320-N323 VanDerWaalsContact O-N 3.14Å; M320-R324 PolarHBondContact O-N 3.39Å; M320-V408 HydrophobicContact CE-CB 4.17Å; M320-V408 HydrophobicContact CE-CG2 3.14Å; M320-V408 HydrophobicContact CG-CG2 4.01Å; M320-V408 HydrophobicContact SD-CG2 3.82Å
321E80.7Confident78.4Confident49 Ų4932.1 Ų32.123%0.22917%0.165CC..Hα-helixtrans-63.6-39.9177.6-171.858.2-159.100111.2G317 N323 R324 Q325G317-E321 PolarHBondContact O-N 2.78Å; E321-N323 PolarHBondContact O-N 3.49Å; E321-R324 WeakPolarHBondContact O-CB 3.32Å; E321-R324 PolarHBondContact O-N 3.41Å; E321-Q325 HydrophobicContact CG-CG 4.47Å; E321-Q325 WeakPolarHBondContact O-CB 3.48Å; E321-Q325 VanDerWaalsContact O-CG 3.26Å; E321-Q325 WeakPolarHBondContact O-CG 3.37Å; E321-Q325 PolarHBondContact O-N 3.44Å; E321-Q325 VanDerWaalsContact OE1-CD 3.31Å; E321-Q325 PolarHBondContact OE1-NE2 3.46Å
322A83.1Confident77.7Confident0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-57.2-49.6171.200000111.2V30 I109 V313 L318 M320 R324 Q325 V326V30-A322 HydrophobicContact CG1-CB 4.25Å; I109-A322 HydrophobicContact CD1-CB 3.82Å; V313-A322 HydrophobicContact CG2-CB 3.77Å; L318-A322 WeakPolarHBondContact O-CB 3.4Å; L318-A322 PolarHBondContact O-N 2.87Å; M320-A322 VanDerWaalsContact C-N 3.3Å; M320-A322 PolarHBondContact O-N 2.83Å; A322-R324 PolarHBondContact O-N 3.39Å; A322-Q325 PolarHBondContact O-N 3.32Å; A322-Q325 VanDerWaalsContact O-N 3.14Å; A322-V326 WeakPolarHBondContact O-CB 3.46Å; A322-V326 WeakPolarHBondContact O-CG2 3.39Å; A322-V326 PolarHBondContact O-N 3.48Å
323N84.8Confident76.8Confident8 Ų834 Ų344%0.04319%0.189CC..Hα-helixtrans-63.6-26.5177.8-84.9-70000114.1V30 G31 Y319 M320 E321 P327 V374 L391V30-N323 VanDerWaalsContact CA-OD1 3.31Å; V30-N323 WeakPolarHBondContact CA-OD1 3.09Å; G31-N323 PolarHBondContact N-OD1 2.93Å; Y319-N323 WeakPolarHBondContact CE2-ND2 3.3Å; Y319-N323 PolarHBondContact O-N 3.15Å; Y319-N323 PolarHBondContact O-ND2 3.31Å; M320-N323 PolarHBondContact O-N 3.4Å; M320-N323 VanDerWaalsContact O-N 3.14Å; E321-N323 PolarHBondContact O-N 3.49Å; N323-P327 WeakPolarHBondContact O-CD 3.39Å; N323-V374 HydrophobicContact CB-CG2 4.38Å; N323-L391 HydrophobicContact CB-CD1 4.46Å
324R79.8Confident75.8Confident83 Ų8335.2 Ų35.231%0.31320%0.197SC..Hα-helixtrans-74.5-36.2174.1-178.6-174.5177.5162.46.4112.4E140 M320 E321 A322E140-R324 VanDerWaalsContact CD-NH1 3.29Å; E140-R324 IonicContact OE1-CZ 2.88Å; E140-R324 IonicContact OE1-NH1 3.55Å; E140-R324 PolarHBondContact OE1-NH1 3.42Å; E140-R324 IonicContact OE1-NH2 3.86Å; E140-R324 IonicContact OE2-NH1 3.63Å; M320-R324 PolarHBondContact O-N 3.39Å; E321-R324 WeakPolarHBondContact O-CB 3.32Å; E321-R324 PolarHBondContact O-N 3.41Å; A322-R324 PolarHBondContact O-N 3.39Å
325Q79.1Confident75Confident23 Ų2339.4 Ų39.411%0.10722%0.224CC..Hα-helixtrans-87.1-31.6-175.1-66.9172.3-19.700112.2L309 E321 A322 K328 L329L309-Q325 HydrophobicContact CD1-CB 3.95Å; L309-Q325 HydrophobicContact CD1-CG 4.14Å; L309-Q325 HydrophobicContact CD2-CB 3.74Å; E321-Q325 HydrophobicContact CG-CG 4.47Å; E321-Q325 WeakPolarHBondContact O-CB 3.48Å; E321-Q325 VanDerWaalsContact O-CG 3.26Å; E321-Q325 WeakPolarHBondContact O-CG 3.37Å; E321-Q325 PolarHBondContact O-N 3.44Å; E321-Q325 VanDerWaalsContact OE1-CD 3.31Å; E321-Q325 PolarHBondContact OE1-NE2 3.46Å; A322-Q325 PolarHBondContact O-N 3.32Å; A322-Q325 VanDerWaalsContact O-N 3.14Å; Q325-K328 WeakPolarHBondContact O-CB 3.49Å; Q325-K328 PolarHBondContact O-N 2.79Å; Q325-K328 VanDerWaalsContact O-N 3.13Å; Q325-L329 PolarHBondContact O-N 3.41Å
326V79.1Confident73.8Confident0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-59.2-36.3-176.5160.80000114.8V30 Y38 I109 A322 K328 L329 L330V30-V326 HydrophobicContact CG1-CB 4.13Å; V30-V326 HydrophobicContact CG1-CG1 4.24Å; V30-V326 HydrophobicContact CG1-CG2 3.62Å; Y38-V326 HydrophobicContact CE1-CG1 4.46Å; Y38-V326 HydrophobicContact CE1-CG2 4.5Å; Y38-V326 WeakPolarHBondContact OH-CG1 3.25Å; I109-V326 HydrophobicContact CD1-CG2 4.35Å; I109-V326 HydrophobicContact CG2-CG2 4.18Å; A322-V326 WeakPolarHBondContact O-CB 3.46Å; A322-V326 WeakPolarHBondContact O-CG2 3.39Å; A322-V326 PolarHBondContact O-N 3.48Å; V326-K328 VanDerWaalsContact C-N 3.26Å; V326-K328 PolarHBondContact O-N 3.33Å; V326-L329 CarbonylContact O-C 3.59Å; V326-L329 WeakPolarHBondContact O-CA 3.45Å; V326-L329 WeakPolarHBondContact O-CB 3.45Å; V326-L329 PolarHBondContact O-N 2.71Å; V326-L330 HydrophobicContact CG1-CD1 3.74Å; V326-L330 HydrophobicContact CG1-CG 3.85Å; V326-L330 WeakPolarHBondContact O-CG 3.35Å; V326-L330 PolarHBondContact O-N 3.22Å
327P75.5Confident72.8Confident11 Ų1150.8 Ų50.87%0.07127%0.274CS..Hα-helixtrans-57.6-37174.1-29.235.8000113.6N323 L329 L339 V374N323-P327 WeakPolarHBondContact O-CD 3.39Å; P327-L329 PolarHBondContact O-N 3.43Å; P327-L339 HydrophobicContact CB-CD2 4.3Å; P327-V374 HydrophobicContact CG-CG2 4.3Å
328K74Confident71.9Confident152 Ų15253.9 Ų53.966%0.66129%0.291SS*.Hα-helixtrans-65-36.2173.7-58.7179179.51780110.8Q325 V326 S331Q325-K328 WeakPolarHBondContact O-CB 3.49Å; Q325-K328 PolarHBondContact O-N 2.79Å; Q325-K328 VanDerWaalsContact O-N 3.13Å; V326-K328 VanDerWaalsContact C-N 3.26Å; V326-K328 PolarHBondContact O-N 3.33Å; K328-S331 PolarHBondContact O-OG 3.15Å
329L72.7Confident71.1Confident11 Ų1154.3 Ų54.36%0.05829%0.293CS..Hα-helixtrans-75.6-42.1-177.4-116.5177000113.9I109 D111 L309 Q325 V326 P327 S331 A332 L333I109-L329 HydrophobicContact CG2-CD1 4.2Å; D111-L329 HydrophobicContact CB-CD2 4.28Å; D111-L329 WeakPolarHBondContact OD1-CD1 3.3Å; D111-L329 WeakPolarHBondContact OD1-CD2 3.45Å; D111-L329 VanDerWaalsContact OD1-CG 3.23Å; D111-L329 WeakPolarHBondContact OD1-CG 3.21Å; D111-L329 WeakPolarHBondContact OD2-CD1 3.35Å; D111-L329 WeakPolarHBondContact OD2-CD2 3.3Å; D111-L329 VanDerWaalsContact OD2-CG 3.24Å; D111-L329 WeakPolarHBondContact OD2-CG 3.43Å; L309-L329 HydrophobicContact CB-CD1 3.9Å; L309-L329 HydrophobicContact CD2-CD1 3.22Å; L309-L329 HydrophobicContact CD2-CG 4.33Å; L309-L329 HydrophobicContact CG-CD1 4.12Å; Q325-L329 PolarHBondContact O-N 3.41Å; V326-L329 CarbonylContact O-C 3.59Å; V326-L329 WeakPolarHBondContact O-CA 3.45Å; V326-L329 WeakPolarHBondContact O-CB 3.45Å; V326-L329 PolarHBondContact O-N 2.71Å; P327-L329 PolarHBondContact O-N 3.43Å; L329-S331 PolarHBondContact O-N 2.85Å; L329-A332 CarbonylContact O-C 3.45Å; L329-A332 WeakPolarHBondContact O-CA 3.38Å; L329-A332 WeakPolarHBondContact O-CB 3.3Å; L329-A332 PolarHBondContact O-N 2.79Å; L329-L333 HydrophobicContact CB-CD1 4.45Å; L329-L333 HydrophobicContact CD2-CD1 3.79Å; L329-L333 HydrophobicContact CD2-CD2 4.23Å; L329-L333 HydrophobicContact CD2-CG 3.72Å; L329-L333 WeakPolarHBondContact O-CG 3.48Å; L329-L333 PolarHBondContact O-N 2.81Å
330L70.6Confident70.3Confident14 Ų1456.9 Ų56.97%0.07331%0.309CS..Hα-helixtrans-56.8-36177.9-76.6168.5000110.7K33 V326 A332 L333 C334 L357K33-L330 HydrophobicContact CD-CD2 4.24Å; V326-L330 HydrophobicContact CG1-CD1 3.74Å; V326-L330 HydrophobicContact CG1-CG 3.85Å; V326-L330 WeakPolarHBondContact O-CG 3.35Å; V326-L330 PolarHBondContact O-N 3.22Å; L330-A332 PolarHBondContact O-N 3.48Å; L330-L333 PolarHBondContact O-N 3.3Å; L330-C334 CarbonylContact O-C 3.55Å; L330-C334 PolarHBondContact O-N 3.05Å; L330-L357 HydrophobicContact CD1-CD1 4.15Å; L330-L357 HydrophobicContact CD1-CD2 3.9Å
331S65.6Low69.5Low80 Ų8058.5 Ų58.556%0.55932%0.316SS*.Hα-helixtrans-59.9-30.7173.578.80000113.7K328 L329K328-S331 PolarHBondContact O-OG 3.15Å; L329-S331 PolarHBondContact O-N 2.85Å
332A64.7Low68.6Low73 Ų7361.5 Ų61.560%0.60334%0.342SS*.Hα-helixtrans-91.5-33.1177.400000113L329 L330L329-A332 CarbonylContact O-C 3.45Å; L329-A332 WeakPolarHBondContact O-CA 3.38Å; L329-A332 WeakPolarHBondContact O-CB 3.3Å; L329-A332 PolarHBondContact O-N 2.79Å; L330-A332 PolarHBondContact O-N 3.48Å
333L64Low67.8Low29 Ų2963.7 Ų63.715%0.15236%0.357CS..Hα-helixtrans-79.3-44.3-178.7-66174.9000111.5W37 Y38 R45 L329 L330W37-L333 HydrophobicContact CZ3-CD1 4.49Å; Y38-L333 HydrophobicContact CD1-CD1 4.35Å; Y38-L333 HydrophobicContact CE1-CD1 4.35Å; R45-L333 PolarHBondContact NH2-O 3.46Å; L329-L333 HydrophobicContact CB-CD1 4.45Å; L329-L333 HydrophobicContact CD2-CD1 3.79Å; L329-L333 HydrophobicContact CD2-CD2 4.23Å; L329-L333 HydrophobicContact CD2-CG 3.72Å; L329-L333 WeakPolarHBondContact O-CG 3.48Å; L329-L333 PolarHBondContact O-N 2.81Å; L330-L333 PolarHBondContact O-N 3.3Å
334C60.9Low67.1Low26 Ų2664.1 Ų64.118%0.17636%0.362CS..  trans-132.883-174.2-68.90000110L330 E336 E337L330-C334 CarbonylContact O-C 3.55Å; L330-C334 PolarHBondContact O-N 3.05Å; C334-E336 PolarHBondContact O-N 3.13Å; C334-E336 VanDerWaalsContact O-N 3.15Å; C334-E337 PolarHBondContact O-N 3.33Å
335P59.3Low66.8Low113 Ų11366.3 Ų66.373%0.73438%0.376SS*.THydrogen-bonded Turntrans-66-13.4178.424.7-32.1000113.8
336E52.6Low66.5Low188 Ų18866.5 Ų66.588%0.87938%0.377SS*.THydrogen-bonded Turntrans-85.6-19.1-178.6-62.9-163161.600114.4C334 P338C334-E336 PolarHBondContact O-N 3.13Å; C334-E336 VanDerWaalsContact O-N 3.15Å; E336-P338 WeakPolarHBondContact O-CD 3.36Å
337E58.5Low65.9Low109 Ų10971 Ų7151%0.50941%0.405SS..SBendtrans-100.7114.3-179.5-76.1-179.1-173.100110.8K33 C334K33-E337 WeakPolarHBondContact CE-OE2 3.32Å; K33-E337 IonicContact NZ-OE1 3.56Å; K33-E337 PolarHBondContact NZ-OE1 3.13Å; K33-E337 IonicContact NZ-OE2 2.64Å; K33-E337 PolarHBondContact NZ-OE2 3.34Å; C334-E337 PolarHBondContact O-N 3.33Å
338P60.1Low65.3Low81 Ų8171.7 Ų71.753%0.52641%0.41SS..  trans-65.6143.5175.726.9-33.1000110.7E336 V340E336-P338 WeakPolarHBondContact O-CD 3.36Å; P338-V340 WeakPolarHBondContact CB-O 3.3Å; P338-V340 VanDerWaalsContact CG-O 3.3Å; P338-V340 WeakPolarHBondContact CG-O 3.29Å; P338-V340 CarbonylContact O-C 3.57Å; P338-V340 PolarHBondContact O-N 3.25Å
339L63.9Low64.9Low53 Ų5372.3 Ų72.328%0.27741%0.412SS..SBendtrans-55.2-21.4174.1-69167.5000113.1P327 V354 L357 I358P327-L339 HydrophobicContact CB-CD2 4.3Å; L339-V354 WeakPolarHBondContact CD1-O 3.44Å; L339-L357 HydrophobicContact CB-CD1 4.41Å; L339-L357 HydrophobicContact CD2-CD1 3.91Å; L339-L357 WeakPolarHBondContact O-CA 3.34Å; L339-L357 WeakPolarHBondContact O-CD1 3.38Å; L339-I358 PolarHBondContact O-N 3.42Å
340V66.9Low64.3Low53 Ų5380.9 Ų80.932%0.32145%0.452SS..BIsolated β-bridgetrans-114.4112.9169.1179.90000107.9P338 A344 I346 I358P338-V340 WeakPolarHBondContact CB-O 3.3Å; P338-V340 VanDerWaalsContact CG-O 3.3Å; P338-V340 WeakPolarHBondContact CG-O 3.29Å; P338-V340 CarbonylContact O-C 3.57Å; P338-V340 PolarHBondContact O-N 3.25Å; V340-A344 HydrophobicContact CG1-CB 4.45Å; V340-I346 HydrophobicContact CG1-CD1 3.45Å; V340-I346 VanDerWaalsContact CG1-CD1 3.45Å; V340-I358 HydrophobicContact CG1-CB 4.46Å; V340-I358 HydrophobicContact CG1-CD1 4.41Å; V340-I358 HydrophobicContact CG2-CD1 4.15Å
341H64.5Low64.3Low73 Ų7383.8 Ų83.834%0.33847%0.467SS..  trans-62.6139.7178.6-164-88.9000111S343 A344 I358H341-S343 PolarHBondContact CE1-OG 3.47Å; H341-S343 PolarHBondContact ND1-N 3.3Å; H341-S343 PolarHBondContact ND1-OG 3.29Å; H341-S343 PolarHBondContact O-N 3.05Å; H341-A344 WeakPolarHBondContact O-CB 3.08Å; H341-A344 PolarHBondContact O-N 2.97Å; H341-I358 PolarHBondContact N-O 2.96Å
342S60.3Low64.9Low111 Ų11181.5 Ų81.578%0.77645%0.449SS*.THydrogen-bonded Turntrans-64.2-22.6-174.154.50000114.2A344S342-A344 VanDerWaalsContact C-N 3.33Å
343S67.3Low65.4Low47 Ų4779.2 Ų79.233%0.32943%0.433SS..THydrogen-bonded Turntrans-81.3-6.5175.667.40000114.4H341 Q345 P360 E361H341-S343 PolarHBondContact CE1-OG 3.47Å; H341-S343 PolarHBondContact ND1-N 3.3Å; H341-S343 PolarHBondContact ND1-OG 3.29Å; H341-S343 PolarHBondContact O-N 3.05Å; S343-Q345 PolarHBondContact O-N 2.96Å; S343-P360 VanDerWaalsContact OG-CA 3.27Å; S343-P360 WeakPolarHBondContact OG-CA 3.36Å; S343-P360 VanDerWaalsContact OG-CB 3.3Å; S343-P360 WeakPolarHBondContact OG-CB 3.45Å; S343-E361 PolarHBondContact OG-N 3.45Å; S343-E361 VanDerWaalsContact OG-N 3.11Å
344A70.3Confident65.9Low16 Ų1684 Ų8413%0.13246%0.463CS..  trans-72124.7177.600000110.6V340 H341 S342 I346 I358 T362V340-A344 HydrophobicContact CG1-CB 4.45Å; H341-A344 WeakPolarHBondContact O-CB 3.08Å; H341-A344 PolarHBondContact O-N 2.97Å; S342-A344 VanDerWaalsContact C-N 3.33Å; A344-I346 HydrophobicContact CB-CD1 4.34Å; A344-I346 HydrophobicContact CB-CG1 4.14Å; A344-I346 PolarHBondContact O-N 3.47Å; A344-I358 HydrophobicContact CB-CG2 3.93Å; A344-T362 CarbonylContact C-O 3.56Å; A344-T362 WeakPolarHBondContact CA-O 3.33Å
345Q72.1Confident66.6Low130 Ų13086.7 Ų86.761%0.60748%0.476SS*.EExtended strand (participates in β ladder)trans-87.693.9177.7-66.5-176.94.900108.9S343 T362 Q363 I364S343-Q345 PolarHBondContact O-N 2.96Å; Q345-T362 PolarHBondContact N-O 3.4Å; Q345-Q363 HydrophobicContact CB-CG 4.4Å; Q345-I364 PolarHBondContact O-N 3.37Å; Q345-I364 VanDerWaalsContact O-N 3.09Å
346I74.6Confident67.7Low26 Ų2681.4 Ų81.413%0.13344%0.441CS..EExtended strand (participates in β ladder)trans-105.6113.5-178.5-52.4-178000109.2V340 A344 K349 I358 I364V340-I346 HydrophobicContact CG1-CD1 3.45Å; V340-I346 VanDerWaalsContact CG1-CD1 3.45Å; A344-I346 HydrophobicContact CB-CD1 4.34Å; A344-I346 HydrophobicContact CB-CG1 4.14Å; A344-I346 PolarHBondContact O-N 3.47Å; I346-K349 HydrophobicContact CB-CG 4.43Å; I346-K349 HydrophobicContact CG2-CG 4.18Å; I346-I358 HydrophobicContact CD1-CD1 3.79Å; I346-I364 HydrophobicContact CD1-CD1 4.24Å; I346-I364 HydrophobicContact CG1-CD1 4.09Å; I346-I364 HydrophobicContact CG2-CB 4.5Å
347V66.2Low69.2Low96 Ų9673.1 Ų73.158%0.58240%0.403SS*.SBendtrans-73-33.4178.7-174.70000111.4I364 E366V347-I364 WeakPolarHBondContact CG2-O 3.21Å; V347-I364 PolarHBondContact N-O 3.49Å; V347-E366 HydrophobicContact CB-CG 4.31Å; V347-E366 HydrophobicContact CG1-CG 3.61Å
348S62.4Low70.5Confident25 Ų2568 Ų6818%0.17538%0.379CS..  trans-131.191.7-179.261.60000113.6H350S348-H350 VanDerWaalsContact C-N 3.26Å; S348-H350 PolarHBondContact O-N 3.23Å
349K64.8Low71.6Confident164 Ų16464.2 Ų64.271%0.71336%0.355SS*.G310 helixtrans-65-22.7-178.4-69.6-174.2178.2-177.20114.6I346 L351I346-K349 HydrophobicContact CB-CG 4.43Å; I346-K349 HydrophobicContact CG2-CG 4.18Å; K349-L351 VanDerWaalsContact C-N 3.3Å; K349-L351 PolarHBondContact O-N 2.95Å
350H60.7Low72.6Confident192 Ų19263.7 Ų63.789%0.88936%0.355SS*.G310 helixtrans-72.4-15.5-172.3-63.7-66.3000115.3S348S348-H350 VanDerWaalsContact C-N 3.26Å; S348-H350 PolarHBondContact O-N 3.23Å
351L70.8Confident73.4Confident75 Ų7567.3 Ų67.339%0.39337%0.368SS..G310 helixtrans-1053.5-174.2-73.2157.5000113.6K349 S368 I370K349-L351 VanDerWaalsContact C-N 3.3Å; K349-L351 PolarHBondContact O-N 2.95Å; L351-S368 WeakPolarHBondContact CB-O 3.42Å; L351-I370 PolarHBondContact O-N 3.32Å
352V79Confident74.5Confident31 Ų3163.9 Ų63.919%0.18835%0.352CS..BIsolated β-bridgetrans-91.4121.8175-176.40000109I358V352-I358 HydrophobicContact CG1-CD1 3.73Å; V352-I358 HydrophobicContact CG2-CD1 4.19Å
353G74.9Confident75.9Confident25 Ų2563.1 Ų63.126%0.25834%0.336SS..  trans-66.9147.3175.500000112.4D355 S356 I370G353-D355 PolarHBondContact O-N 3.09Å; G353-S356 WeakPolarHBondContact O-CB 3.26Å; G353-S356 PolarHBondContact O-N 3.25Å; G353-S356 VanDerWaalsContact O-N 3.09Å; G353-I370 PolarHBondContact N-O 3.32Å
354V73.3Confident76.9Confident129 Ų12961.1 Ų61.178%0.78232%0.322SS*.THydrogen-bonded Turntrans-61.7-24.4-178.9-137.20000113.2L339 S356L339-V354 WeakPolarHBondContact CD1-O 3.44Å; V354-S356 VanDerWaalsContact C-N 3.34Å
355D77.2Confident77.6Confident84 Ų8460.8 Ų60.845%0.44932%0.32SS..THydrogen-bonded Turntrans-89.62.7-179.2-56.7-34.3000113.2G353 R372G353-D355 PolarHBondContact O-N 3.09Å; D355-R372 HydrophobicContact CB-CG 4.07Å
356S81.8Confident78.2Confident2 Ų259.7 Ų59.71%0.01432%0.315CS..  trans-95.8139.9-176-58.10000111.2G353 V354 I370 R372 S373G353-S356 WeakPolarHBondContact O-CB 3.26Å; G353-S356 PolarHBondContact O-N 3.25Å; G353-S356 VanDerWaalsContact O-N 3.09Å; V354-S356 VanDerWaalsContact C-N 3.34Å; S356-I370 PolarHBondContact OG-O 3.38Å; S356-R372 PolarHBondContact OG-N 3.02Å; S356-R372 VanDerWaalsContact OG-N 3.14Å; S356-S373 CarbonylContact C-O 3.58Å; S356-S373 VanDerWaalsContact CA-O 3.24Å; S356-S373 WeakPolarHBondContact CA-O 3.2Å; S356-S373 WeakPolarHBondContact CB-O 3.47Å; S356-S373 PolarHBondContact OG-N 3.41Å
357L84.1Confident78.7Confident13 Ų1365.8 Ų65.87%0.06834%0.341CS..EExtended strand (participates in β ladder)trans-107.3129.9177.6-173.174.4000109.6G31 N32 L330 L339 S373 V374 I375G31-L357 VanDerWaalsContact O-CD2 3.3Å; G31-L357 WeakPolarHBondContact O-CD2 3.2Å; N32-L357 HydrophobicContact CB-CD2 3.93Å; L330-L357 HydrophobicContact CD1-CD1 4.15Å; L330-L357 HydrophobicContact CD1-CD2 3.9Å; L339-L357 HydrophobicContact CB-CD1 4.41Å; L339-L357 HydrophobicContact CD2-CD1 3.91Å; L339-L357 WeakPolarHBondContact O-CA 3.34Å; L339-L357 WeakPolarHBondContact O-CD1 3.38Å; L357-S373 PolarHBondContact N-O 3.29Å; L357-V374 HydrophobicContact CB-CG1 4.39Å; L357-V374 HydrophobicContact CB-CG2 4.24Å; L357-V374 HydrophobicContact CD2-CG1 4.08Å; L357-I375 PolarHBondContact O-N 3.34Å
358I86.4Confident79.7Confident3 Ų361.3 Ų61.32%0.01531%0.314CS..EExtended strand (participates in β ladder)trans-122.8122.7179.3-59.5169000109.9L339 V340 H341 A344 I346 V352 T362 I364 I375L339-I358 PolarHBondContact O-N 3.42Å; V340-I358 HydrophobicContact CG1-CB 4.46Å; V340-I358 HydrophobicContact CG1-CD1 4.41Å; V340-I358 HydrophobicContact CG2-CD1 4.15Å; H341-I358 PolarHBondContact N-O 2.96Å; A344-I358 HydrophobicContact CB-CG2 3.93Å; I346-I358 HydrophobicContact CD1-CD1 3.79Å; V352-I358 HydrophobicContact CG1-CD1 3.73Å; V352-I358 HydrophobicContact CG2-CD1 4.19Å; I358-T362 HydrophobicContact CG2-CG2 3.99Å; I358-I364 HydrophobicContact CD1-CD1 3.61Å; I358-I364 HydrophobicContact CG1-CD1 4.4Å; I358-I364 HydrophobicContact CG2-CD1 4.35Å; I358-I375 HydrophobicContact CG1-CD1 4.38Å
359G82.4Confident80.9Confident1 Ų161.1 Ų61.11%0.0131%0.312CS..  trans-74168.1178.500000114.2N32 I375 G376N32-G359 VanDerWaalsContact ND2-CA 3.26Å; N32-G359 WeakPolarHBondContact ND2-CA 3.49Å; N32-G359 PolarHBondContact ND2-N 3.12Å; N32-G359 VanDerWaalsContact ND2-N 3.16Å; G359-I375 PolarHBondContact N-O 3.33Å; G359-G376 WeakPolarHBondContact CA-O 3.33Å
360P84Confident82.1Confident42 Ų4253.3 Ų53.327%0.27328%0.278SS..THydrogen-bonded Turntrans-62.4152.4-179.426.9-35.2000112.5S343 T362 S377 S378S343-P360 VanDerWaalsContact OG-CA 3.27Å; S343-P360 WeakPolarHBondContact OG-CA 3.36Å; S343-P360 VanDerWaalsContact OG-CB 3.3Å; S343-P360 WeakPolarHBondContact OG-CB 3.45Å; P360-T362 PolarHBondContact O-N 2.83Å; P360-S377 WeakPolarHBondContact CD-OG 3.41Å; P360-S377 WeakPolarHBondContact CG-OG 3.36Å; P360-S377 WeakPolarHBondContact O-CA 3.41Å; P360-S378 PolarHBondContact O-N 2.69Å
361E85.4Confident83.3Confident129 Ų12949.8 Ų49.860%0.60326%0.26SS*.THydrogen-bonded Turntrans6110174.4-56.1-179.5173.300115.7S343 S378S343-E361 PolarHBondContact OG-N 3.45Å; S343-E361 VanDerWaalsContact OG-N 3.11Å; E361-S378 PolarHBondContact OE2-OG 3.45Å; E361-S378 VanDerWaalsContact OE2-OG 3.13Å
362T87.6Confident84Confident0 Ų053 Ų530%027%0.267CS..  trans-75.6134.5176.9-70.30000110.8A344 Q345 I358 P360 I364 I375 G376 C379A344-T362 CarbonylContact C-O 3.56Å; A344-T362 WeakPolarHBondContact CA-O 3.33Å; Q345-T362 PolarHBondContact N-O 3.4Å; I358-T362 HydrophobicContact CG2-CG2 3.99Å; P360-T362 PolarHBondContact O-N 2.83Å; T362-I364 HydrophobicContact CG2-CD1 4.46Å; T362-I364 HydrophobicContact CG2-CG1 4.07Å; T362-I375 HydrophobicContact CG2-CG2 4Å; T362-G376 PolarHBondContact OG1-O 2.84Å; T362-C379 CarbonylContact C-O 3.59Å; T362-C379 WeakPolarHBondContact CA-O 3.44Å; T362-C379 HydrophobicContact CG2-CB 3.86Å; T362-C379 WeakPolarHBondContact CG2-O 3.38Å; T362-C379 PolarHBondContact OG1-N 3.21Å
363Q88.1Confident84.4Confident95 Ų9551.5 Ų51.544%0.44426%0.258SS..EExtended strand (participates in β ladder)trans-106.8127.7178.4-63.8-179.312.600109.7Q345 C379 L380 I381Q345-Q363 HydrophobicContact CB-CG 4.4Å; Q363-C379 PolarHBondContact N-O 3.15Å; Q363-L380 HydrophobicContact CB-CD1 3.93Å; Q363-I381 PolarHBondContact O-N 2.95Å
364I88.8Confident85.1Confident5 Ų550.6 Ų50.63%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-123.9118.5-179.1-55.3177000109.8Q345 I346 V347 I358 T362 I370 I381Q345-I364 PolarHBondContact O-N 3.37Å; Q345-I364 VanDerWaalsContact O-N 3.09Å; I346-I364 HydrophobicContact CD1-CD1 4.24Å; I346-I364 HydrophobicContact CG1-CD1 4.09Å; I346-I364 HydrophobicContact CG2-CB 4.5Å; V347-I364 WeakPolarHBondContact CG2-O 3.21Å; V347-I364 PolarHBondContact N-O 3.49Å; I358-I364 HydrophobicContact CD1-CD1 3.61Å; I358-I364 HydrophobicContact CG1-CD1 4.4Å; I358-I364 HydrophobicContact CG2-CD1 4.35Å; T362-I364 HydrophobicContact CG2-CD1 4.46Å; T362-I364 HydrophobicContact CG2-CG1 4.07Å; I364-I370 HydrophobicContact CD1-CD1 3.67Å; I364-I370 HydrophobicContact CG1-CD1 4.47Å; I364-I370 HydrophobicContact CG2-CD1 4.24Å; I364-I381 HydrophobicContact CG1-CD1 4.4Å
365G84.6Confident85.9Confident10 Ų1044.5 Ų44.510%0.10321%0.211CC..  trans-68.3176177.600000114.8I381 D383G365-I381 PolarHBondContact N-O 3.14Å; G365-D383 WeakPolarHBondContact CA-OD1 3.3Å
366E85.6Confident86.3Confident107 Ų10740.5 Ų40.550%0.519%0.19SC..THydrogen-bonded Turntrans-72.6148.2-177.8-66.8-172.1178.600112.6V347 S368 D383 R384V347-E366 HydrophobicContact CB-CG 4.31Å; V347-E366 HydrophobicContact CG1-CG 3.61Å; E366-S368 PolarHBondContact O-N 3.01Å; E366-S368 VanDerWaalsContact O-N 3.15Å; E366-D383 PolarHBondContact N-OD1 2.89Å; E366-D383 VanDerWaalsContact O-CA 3.3Å; E366-D383 WeakPolarHBondContact O-CA 3.5Å; E366-R384 PolarHBondContact O-N 2.87Å
367K85.1Confident86.6Confident154 Ų15442 Ų4267%0.6720%0.2SC*.THydrogen-bonded Turntrans5923.9176-57.9176.2-179.5172.30114.2R384K367-R384 HydrophobicContact CB-CG 4.33Å
368S86.2Confident86.9Confident2 Ų243.8 Ų43.81%0.01421%0.213CC..  trans-92.4134.8176.7-640000110.7L351 E366 K382 R384 V385L351-S368 WeakPolarHBondContact CB-O 3.42Å; E366-S368 PolarHBondContact O-N 3.01Å; E366-S368 VanDerWaalsContact O-N 3.15Å; S368-K382 PolarHBondContact OG-O 3.06Å; S368-R384 PolarHBondContact OG-N 3.3Å; S368-V385 CarbonylContact C-O 3.51Å; S368-V385 WeakPolarHBondContact CA-O 3.39Å; S368-V385 WeakPolarHBondContact CB-O 3.36Å; S368-V385 PolarHBondContact OG-N 3.38Å; S368-V385 VanDerWaalsContact OG-N 3.1Å
369S88.4Confident87.1Confident21 Ų2143.7 Ų43.715%0.14721%0.213CC..EExtended strand (participates in β ladder)trans-114.7122.6-176.8165.10000110.5V385 I387S369-V385 PolarHBondContact N-O 2.64Å; S369-I387 PolarHBondContact O-N 3.11Å
370I88.9Confident87.6Confident0 Ų046.5 Ų46.50%023%0.228CC..EExtended strand (participates in β ladder)trans-123.1117.6-177.6-59.3162.6000109.3L351 G353 S356 I364 I375 I381 I387L351-I370 PolarHBondContact O-N 3.32Å; G353-I370 PolarHBondContact N-O 3.32Å; S356-I370 PolarHBondContact OG-O 3.38Å; I364-I370 HydrophobicContact CD1-CD1 3.67Å; I364-I370 HydrophobicContact CG1-CD1 4.47Å; I364-I370 HydrophobicContact CG2-CD1 4.24Å; I370-I375 HydrophobicContact CD1-CD1 3.66Å; I370-I375 HydrophobicContact CG1-CD1 4.31Å; I370-I375 HydrophobicContact CG2-CD1 3.91Å; I370-I381 HydrophobicContact CD1-CD1 4.42Å; I370-I387 WeakPolarHBondContact CA-O 3.44Å; I370-I387 HydrophobicContact CG1-CB 4.37Å; I370-I387 HydrophobicContact CG1-CD1 4.34Å
371K87.6Confident87.9Confident117 Ų11744.6 Ų44.651%0.50922%0.215SC..EExtended strand (participates in β ladder)trans-129.4123.5-176.4-64.2179.4-177.6176.50111.6S373 I387 T388 N389K371-S373 PolarHBondContact O-N 3.01Å; K371-S373 PolarHBondContact O-OG 3.49Å; K371-I387 PolarHBondContact N-O 2.92Å; K371-T388 HydrophobicContact CB-CG2 4.43Å; K371-T388 WeakPolarHBondContact O-CA 3.25Å; K371-N389 PolarHBondContact O-N 3.32Å
372R84.8Confident88.2Confident142 Ų14241.5 Ų41.554%0.53620%0.2SC..SBendtrans52.740.9177.2-59.3178.4-179.2159.82.2112.2D355 S356 N389D355-R372 HydrophobicContact CB-CG 4.07Å; S356-R372 PolarHBondContact OG-N 3.02Å; S356-R372 VanDerWaalsContact OG-N 3.14Å; R372-N389 WeakPolarHBondContact O-CA 3.48Å
373S88.3Confident88.4Confident1 Ų144.5 Ų44.51%0.00722%0.216CC..  trans-120.6147.6-176.2-59.50000110.5S356 L357 K371 I387 N389 C390S356-S373 CarbonylContact C-O 3.58Å; S356-S373 VanDerWaalsContact CA-O 3.24Å; S356-S373 WeakPolarHBondContact CA-O 3.2Å; S356-S373 WeakPolarHBondContact CB-O 3.47Å; S356-S373 PolarHBondContact OG-N 3.41Å; L357-S373 PolarHBondContact N-O 3.29Å; K371-S373 PolarHBondContact O-N 3.01Å; K371-S373 PolarHBondContact O-OG 3.49Å; S373-I387 WeakPolarHBondContact OG-CG2 3.37Å; S373-N389 PolarHBondContact OG-N 3.46Å; S373-C390 CarbonylContact C-O 3.55Å; S373-C390 WeakPolarHBondContact CA-O 3.28Å; S373-C390 VanDerWaalsContact CB-O 3.23Å; S373-C390 WeakPolarHBondContact CB-O 3.48Å; S373-C390 PolarHBondContact OG-N 3.46Å; S373-C390 VanDerWaalsContact OG-N 3.17Å
374V88.7Confident88.4Confident6 Ų647 Ų474%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-108.3124.4174.6174.60000107.8N323 P327 L357 C390 L391 L392N323-V374 HydrophobicContact CB-CG2 4.38Å; P327-V374 HydrophobicContact CG-CG2 4.3Å; L357-V374 HydrophobicContact CB-CG1 4.39Å; L357-V374 HydrophobicContact CB-CG2 4.24Å; L357-V374 HydrophobicContact CD2-CG1 4.08Å; V374-C390 PolarHBondContact N-O 2.81Å; V374-L391 HydrophobicContact CB-CD1 3.61Å; V374-L391 HydrophobicContact CG1-CD1 3.63Å; V374-L391 WeakPolarHBondContact O-CA 3.41Å; V374-L392 PolarHBondContact O-N 2.6Å
375I89.6Confident88.5Confident0 Ų046.9 Ų46.90%022%0.22CC..EExtended strand (participates in β ladder)trans-119.7125.1-178.5-56.3172.3000108.6N32 L357 I358 G359 T362 I370 C379 I381 L392N32-I375 PolarHBondContact ND2-O 2.91Å; N32-I375 PolarHBondContact OD1-O 3.13Å; L357-I375 PolarHBondContact O-N 3.34Å; I358-I375 HydrophobicContact CG1-CD1 4.38Å; G359-I375 PolarHBondContact N-O 3.33Å; T362-I375 HydrophobicContact CG2-CG2 4Å; I370-I375 HydrophobicContact CD1-CD1 3.66Å; I370-I375 HydrophobicContact CG1-CD1 4.31Å; I370-I375 HydrophobicContact CG2-CD1 3.91Å; I375-C379 HydrophobicContact CG2-CB 3.86Å; I375-I381 HydrophobicContact CD1-CD1 3.71Å; I375-I381 HydrophobicContact CG2-CD1 4.37Å; I375-L392 HydrophobicContact CG1-CD1 4.12Å; I375-L392 HydrophobicContact CG1-CG 4.42Å; I375-L392 HydrophobicContact CG2-CB 4.32Å; I375-L392 HydrophobicContact CG2-CD1 4.22Å
376G86.9Confident88.9Confident1 Ų149 Ų491%0.0123%0.232CC..  trans-68.9-164.717700000114.3N32 G359 T362 L392 M393N32-G376 WeakPolarHBondContact OD1-CA 3.49Å; G359-G376 WeakPolarHBondContact CA-O 3.33Å; T362-G376 PolarHBondContact OG1-O 2.84Å; G376-L392 PolarHBondContact N-O 3.4Å; G376-M393 WeakPolarHBondContact CA-O 3.1Å
377S88.1Confident89.1Confident32 Ų3243.9 Ų43.922%0.22421%0.208CC..THydrogen-bonded Turntrans-86.9149.1-174.8-49.90000112.1P360 C379 N394 S395P360-S377 WeakPolarHBondContact CD-OG 3.41Å; P360-S377 WeakPolarHBondContact CG-OG 3.36Å; P360-S377 WeakPolarHBondContact O-CA 3.41Å; S377-C379 PolarHBondContact O-N 2.67Å; S377-N394 PolarHBondContact N-OD1 3.33Å; S377-N394 WeakPolarHBondContact O-CA 3.38Å; S377-S395 PolarHBondContact O-N 2.95Å
378S89.3Confident89.4Confident51 Ų5139 Ų3936%0.35719%0.191SC..THydrogen-bonded Turntrans56.232.5172.8-43.80000113.8P360 E361P360-S378 PolarHBondContact O-N 2.69Å; E361-S378 PolarHBondContact OE2-OG 3.45Å; E361-S378 VanDerWaalsContact OE2-OG 3.13Å
379C90.8Very high89.4Confident2 Ų241 Ų411%0.01420%0.202CC..  trans-81.1143.2177.8-71.20000111.4T362 Q363 I375 S377 M393 V396T362-C379 CarbonylContact C-O 3.59Å; T362-C379 WeakPolarHBondContact CA-O 3.44Å; T362-C379 HydrophobicContact CG2-CB 3.86Å; T362-C379 WeakPolarHBondContact CG2-O 3.38Å; T362-C379 PolarHBondContact OG1-N 3.21Å; Q363-C379 PolarHBondContact N-O 3.15Å; I375-C379 HydrophobicContact CG2-CB 3.86Å; S377-C379 PolarHBondContact O-N 2.67Å; C379-M393 PolarHBondContact SG-O 3.48Å; C379-V396 CarbonylContact C-O 3.45Å; C379-V396 WeakPolarHBondContact CA-O 3.44Å
380L92Very high89.5Confident59 Ų5940.3 Ų40.331%0.30920%0.196SC..EExtended strand (participates in β ladder)trans-112.1105.2176.7-179.864.2000109.7Q363 V396 T397 V398Q363-L380 HydrophobicContact CB-CD1 3.93Å; L380-V396 PolarHBondContact N-O 2.85Å; L380-T397 HydrophobicContact CB-CG2 4.36Å; L380-T397 HydrophobicContact CD2-CG2 4.1Å; L380-T397 HydrophobicContact CG-CG2 4.47Å; L380-T397 CarbonylContact O-C 3.58Å; L380-T397 WeakPolarHBondContact O-CA 3.33Å; L380-V398 PolarHBondContact O-N 3.16Å
381I91.7Very high89.5Confident3 Ų340.7 Ų40.72%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-109.6115.8177.9-60.7169.6000108.2Q363 I364 G365 I370 I375 V385 I387 L392 V398Q363-I381 PolarHBondContact O-N 2.95Å; I364-I381 HydrophobicContact CG1-CD1 4.4Å; G365-I381 PolarHBondContact N-O 3.14Å; I370-I381 HydrophobicContact CD1-CD1 4.42Å; I375-I381 HydrophobicContact CD1-CD1 3.71Å; I375-I381 HydrophobicContact CG2-CD1 4.37Å; I381-V385 HydrophobicContact CG2-CB 3.91Å; I381-V385 HydrophobicContact CG2-CG1 4.06Å; I381-V385 HydrophobicContact CG2-CG2 4.12Å; I381-I387 HydrophobicContact CD1-CD1 3.85Å; I381-I387 HydrophobicContact CG1-CD1 4.5Å; I381-I387 HydrophobicContact CG2-CD1 4.47Å; I381-L392 HydrophobicContact CD1-CD1 4.18Å; I381-V398 HydrophobicContact CG1-CG2 4.48Å
382K91.5Very high89.6Confident64 Ų6435.2 Ų35.228%0.27818%0.175SC..  trans-79.5-173.1179.5-64.1-162.4-178.1175.80112.8S368 V385 V398 E399 E400S368-K382 PolarHBondContact OG-O 3.06Å; K382-V385 VanDerWaalsContact O-CG2 3.31Å; K382-V385 WeakPolarHBondContact O-CG2 3.38Å; K382-V398 PolarHBondContact N-O 2.84Å; K382-E399 VanDerWaalsContact CD-OE2 3.3Å; K382-E399 WeakPolarHBondContact CD-OE2 3.16Å; K382-E399 VanDerWaalsContact CE-CD 3.46Å; K382-E399 WeakPolarHBondContact CE-OE1 3.48Å; K382-E399 VanDerWaalsContact CE-OE2 3.31Å; K382-E399 WeakPolarHBondContact CE-OE2 3.18Å; K382-E399 IonicContact NZ-OE1 3.17Å; K382-E399 PolarHBondContact NZ-OE1 3.01Å; K382-E399 IonicContact NZ-OE2 3.57Å; K382-E399 PolarHBondContact NZ-OE2 2.98Å; K382-E400 HydrophobicContact CB-CG 3.78Å; K382-E400 HydrophobicContact CD-CG 4.15Å
383D90.9Very high89.8Confident63 Ų6328.6 Ų28.634%0.33715%0.15SC..THydrogen-bonded Turntrans-71.7150.9-174.5-55.5-28.8000113G365 E366 V385 E400 G401G365-D383 WeakPolarHBondContact CA-OD1 3.3Å; E366-D383 PolarHBondContact N-OD1 2.89Å; E366-D383 VanDerWaalsContact O-CA 3.3Å; E366-D383 WeakPolarHBondContact O-CA 3.5Å; D383-V385 VanDerWaalsContact C-N 3.32Å; D383-V385 PolarHBondContact O-N 3.18Å; D383-E400 WeakPolarHBondContact O-CA 3.44Å; D383-G401 PolarHBondContact O-N 2.97Å
384R89.4Confident89.9Confident148 Ų14831.4 Ų31.456%0.55817%0.165SC*.THydrogen-bonded Turntrans60.235.4174.6-57.7174.1-79.3-136.3-6.1113.9E366 K367 S368 E400 G401E366-R384 PolarHBondContact O-N 2.87Å; K367-R384 HydrophobicContact CB-CG 4.33Å; S368-R384 PolarHBondContact OG-N 3.3Å; R384-E400 IonicContact NH2-OE2 2.73Å; R384-E400 PolarHBondContact NH2-OE2 3.29Å; R384-G401 WeakPolarHBondContact O-CA 3.49Å
385V91.1Very high90Very high1 Ų133.6 Ų33.61%0.00618%0.18CC..  trans-95.8137.1178.6179.30000110.5S368 S369 I381 K382 D383 I387 V398 E399 S402S368-V385 CarbonylContact C-O 3.51Å; S368-V385 WeakPolarHBondContact CA-O 3.39Å; S368-V385 WeakPolarHBondContact CB-O 3.36Å; S368-V385 PolarHBondContact OG-N 3.38Å; S368-V385 VanDerWaalsContact OG-N 3.1Å; S369-V385 PolarHBondContact N-O 2.64Å; I381-V385 HydrophobicContact CG2-CB 3.91Å; I381-V385 HydrophobicContact CG2-CG1 4.06Å; I381-V385 HydrophobicContact CG2-CG2 4.12Å; K382-V385 VanDerWaalsContact O-CG2 3.31Å; K382-V385 WeakPolarHBondContact O-CG2 3.38Å; D383-V385 VanDerWaalsContact C-N 3.32Å; D383-V385 PolarHBondContact O-N 3.18Å; V385-I387 HydrophobicContact CG1-CD1 4.11Å; V385-I387 HydrophobicContact CG1-CG1 3.78Å; V385-V398 HydrophobicContact CG1-CG1 3.7Å; V385-V398 HydrophobicContact CG2-CG1 4.1Å; V385-E399 WeakPolarHBondContact CG2-O 3.23Å; V385-S402 WeakPolarHBondContact CA-O 3.27Å; V385-S402 WeakPolarHBondContact CG1-O 3.47Å
386T91.3Very high90.1Very high55 Ų5533.6 Ų33.634%0.33718%0.18SC..EExtended strand (participates in β ladder)trans-114.4118.9174.450.90000110.6S402 N403 I404T386-S402 PolarHBondContact N-O 3.01Å; T386-N403 WeakPolarHBondContact OG1-CA 3.26Å; T386-N403 WeakPolarHBondContact OG1-CB 3.33Å; T386-N403 PolarHBondContact OG1-OD1 3.44Å; T386-I404 PolarHBondContact O-N 3.29Å
387I91.5Very high90.4Very high0 Ų035.2 Ų35.20%019%0.19CC..EExtended strand (participates in β ladder)trans-122.9119.9-179.3-54.3177.3000108.5S369 I370 K371 S373 I381 V385 C390 L392 I404S369-I387 PolarHBondContact O-N 3.11Å; I370-I387 WeakPolarHBondContact CA-O 3.44Å; I370-I387 HydrophobicContact CG1-CB 4.37Å; I370-I387 HydrophobicContact CG1-CD1 4.34Å; K371-I387 PolarHBondContact N-O 2.92Å; S373-I387 WeakPolarHBondContact OG-CG2 3.37Å; I381-I387 HydrophobicContact CD1-CD1 3.85Å; I381-I387 HydrophobicContact CG1-CD1 4.5Å; I381-I387 HydrophobicContact CG2-CD1 4.47Å; V385-I387 HydrophobicContact CG1-CD1 4.11Å; V385-I387 HydrophobicContact CG1-CG1 3.78Å; I387-C390 HydrophobicContact CG2-CB 3.57Å; I387-L392 HydrophobicContact CD1-CD1 3.97Å; I387-I404 WeakPolarHBondContact CA-O 3.41Å
388T90.1Very high90.7Very high51 Ų5133.7 Ų33.731%0.31318%0.18SC..EExtended strand (participates in β ladder)trans-131.9126179.1-54.20000111.3K371 C390 I404 Q405 G406K371-T388 HydrophobicContact CB-CG2 4.43Å; K371-T388 WeakPolarHBondContact O-CA 3.25Å; T388-C390 VanDerWaalsContact C-N 3.26Å; T388-C390 PolarHBondContact O-N 2.69Å; T388-C390 PolarHBondContact O-SG 3.46Å; T388-I404 PolarHBondContact N-O 3.36Å; T388-Q405 WeakPolarHBondContact O-CA 3.43Å; T388-G406 PolarHBondContact O-N 3.49Å
389N87.3Confident90.8Very high45 Ų4532.9 Ų32.924%0.24117%0.17CC..SBendtrans54.741.7177-159.247.1000112.8E140 K371 R372 S373 G406E140-N389 PolarHBondContact OE2-ND2 2.82Å; K371-N389 PolarHBondContact O-N 3.32Å; R372-N389 WeakPolarHBondContact O-CA 3.48Å; S373-N389 PolarHBondContact OG-N 3.46Å; N389-G406 WeakPolarHBondContact O-CA 3.41Å; N389-G406 PolarHBondContact O-N 2.96Å
390C88.9Confident90.9Very high5 Ų535.2 Ų35.23%0.03418%0.181CC..  trans-115.3155.8-177.1-59.80000111.3S373 V374 I387 T388 I404 G406 S407S373-C390 CarbonylContact C-O 3.55Å; S373-C390 WeakPolarHBondContact CA-O 3.28Å; S373-C390 VanDerWaalsContact CB-O 3.23Å; S373-C390 WeakPolarHBondContact CB-O 3.48Å; S373-C390 PolarHBondContact OG-N 3.46Å; S373-C390 VanDerWaalsContact OG-N 3.17Å; V374-C390 PolarHBondContact N-O 2.81Å; I387-C390 HydrophobicContact CG2-CB 3.57Å; T388-C390 VanDerWaalsContact C-N 3.26Å; T388-C390 PolarHBondContact O-N 2.69Å; T388-C390 PolarHBondContact O-SG 3.46Å; C390-I404 HydrophobicContact CB-CG2 4.42Å; C390-I404 VanDerWaalsContact SG-C 3.53Å; C390-I404 WeakPolarHBondContact SG-CG2 3.3Å; C390-I404 PolarHBondContact SG-O 3.05Å; C390-I404 VanDerWaalsContact SG-O 3.36Å; C390-G406 PolarHBondContact SG-N 2.9Å; C390-S407 WeakPolarHBondContact CA-O 3.44Å; C390-S407 WeakPolarHBondContact CB-O 3.08Å
391L89.6Confident90.7Very high9 Ų934.3 Ų34.35%0.04719%0.186CC..EExtended strand (participates in β ladder)trans-117.1114.2170.917769.1000108.7Y319 N323 V374 S407 V408 I409Y319-L391 HydrophobicContact CD1-CD2 4.04Å; Y319-L391 HydrophobicContact CE1-CD2 3.17Å; Y319-L391 WeakPolarHBondContact OH-CD2 3.42Å; N323-L391 HydrophobicContact CB-CD1 4.46Å; V374-L391 HydrophobicContact CB-CD1 3.61Å; V374-L391 HydrophobicContact CG1-CD1 3.63Å; V374-L391 WeakPolarHBondContact O-CA 3.41Å; L391-S407 PolarHBondContact N-O 3.17Å; L391-V408 HydrophobicContact CB-CG2 4.08Å; L391-V408 HydrophobicContact CD2-CG1 4.18Å; L391-V408 HydrophobicContact CD2-CG2 4.2Å; L391-V408 WeakPolarHBondContact O-CA 3.48Å; L391-I409 PolarHBondContact O-N 2.99Å
392L90.7Very high90.7Very high1 Ų134.2 Ų34.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-101.8126170-53.6-175.8000108V374 I375 G376 I381 I387 V396 V398 I409V374-L392 PolarHBondContact O-N 2.6Å; I375-L392 HydrophobicContact CG1-CD1 4.12Å; I375-L392 HydrophobicContact CG1-CG 4.42Å; I375-L392 HydrophobicContact CG2-CB 4.32Å; I375-L392 HydrophobicContact CG2-CD1 4.22Å; G376-L392 PolarHBondContact N-O 3.4Å; I381-L392 HydrophobicContact CD1-CD1 4.18Å; I387-L392 HydrophobicContact CD1-CD1 3.97Å; L392-V396 HydrophobicContact CB-CG2 4.44Å; L392-V396 HydrophobicContact CD2-CG1 4.34Å; L392-V398 HydrophobicContact CD1-CG2 4.41Å; L392-I409 HydrophobicContact CD2-CB 3.61Å; L392-I409 HydrophobicContact CD2-CD1 3.17Å; L392-I409 HydrophobicContact CD2-CG1 3.54Å; L392-I409 HydrophobicContact CD2-CG2 4.34Å
393M89.3Confident90.7Very high4 Ų433.4 Ų33.42%0.0218%0.184CC..  trans-78.2-151.5171.1-57.6-171.1175.500110.8L19 I23 L28 P29 G376 C379 I409 C410 N411L19-M393 HydrophobicContact CD2-CE 3.86Å; I23-M393 HydrophobicContact CD1-SD 4.05Å; L28-M393 HydrophobicContact CD2-CE 4.31Å; P29-M393 HydrophobicContact CG-CG 4.21Å; P29-M393 HydrophobicContact CG-SD 4.44Å; G376-M393 WeakPolarHBondContact CA-O 3.1Å; C379-M393 PolarHBondContact SG-O 3.48Å; M393-I409 WeakPolarHBondContact CG-O 3.28Å; M393-I409 PolarHBondContact N-O 2.99Å; M393-C410 HydrophobicContact SD-CB 4.16Å; M393-N411 WeakPolarHBondContact CB-OD1 3.35Å
394N89.6Confident90.7Very high60 Ų6030.4 Ų30.432%0.32117%0.168SC..THydrogen-bonded Turntrans-86.9149.5-173.1-61.1-29.1000112.3S377 V396 N411 N412S377-N394 PolarHBondContact N-OD1 3.33Å; S377-N394 WeakPolarHBondContact O-CA 3.38Å; N394-V396 PolarHBondContact O-N 2.55Å; N394-N411 PolarHBondContact N-OD1 3.09Å; N394-N411 WeakPolarHBondContact O-CA 3.42Å; N394-N412 PolarHBondContact O-N 2.99Å; N394-N412 VanDerWaalsContact O-N 3.14Å
395S90.1Very high90.8Very high52 Ų5227.6 Ų27.636%0.36416%0.161SC..THydrogen-bonded Turntrans57.232173.3-55.50000114.1S377 N412S377-S395 PolarHBondContact O-N 2.95Å; S395-N412 VanDerWaalsContact CB-OD1 3.22Å; S395-N412 WeakPolarHBondContact CB-OD1 3.04Å; S395-N412 WeakPolarHBondContact O-CA 3.4Å
396V92Very high90.5Very high0 Ų027.7 Ų27.70%016%0.163CC..  trans-81.2133.8177178.60000109.7C379 L380 L392 N394 V398 I409 C410C379-V396 CarbonylContact C-O 3.45Å; C379-V396 WeakPolarHBondContact CA-O 3.44Å; L380-V396 PolarHBondContact N-O 2.85Å; L392-V396 HydrophobicContact CB-CG2 4.44Å; L392-V396 HydrophobicContact CD2-CG1 4.34Å; N394-V396 PolarHBondContact O-N 2.55Å; V396-V398 HydrophobicContact CG1-CG2 4.07Å; V396-I409 HydrophobicContact CG1-CG2 3.77Å; V396-I409 HydrophobicContact CG2-CG2 4.13Å; V396-C410 WeakPolarHBondContact CG2-O 3.34Å
397T93.3Very high90.4Very high35 Ų3525.1 Ų25.122%0.21515%0.147CC..EExtended strand (participates in β ladder)trans-109.1120.3175.1-590000110.3L380 A413 I415L380-T397 HydrophobicContact CB-CG2 4.36Å; L380-T397 HydrophobicContact CD2-CG2 4.1Å; L380-T397 HydrophobicContact CG-CG2 4.47Å; L380-T397 CarbonylContact O-C 3.58Å; L380-T397 WeakPolarHBondContact O-CA 3.33Å; T397-A413 PolarHBondContact N-O 3.04Å; T397-I415 PolarHBondContact O-N 2.95Å
398V93.6Very high90.3Very high0 Ų025.1 Ų25.10%015%0.147CC..EExtended strand (participates in β ladder)trans-115.3113.1176-171.60000109.5L380 I381 K382 V385 L392 V396 I404 I415L380-V398 PolarHBondContact O-N 3.16Å; I381-V398 HydrophobicContact CG1-CG2 4.48Å; K382-V398 PolarHBondContact N-O 2.84Å; V385-V398 HydrophobicContact CG1-CG1 3.7Å; V385-V398 HydrophobicContact CG2-CG1 4.1Å; L392-V398 HydrophobicContact CD1-CG2 4.41Å; V396-V398 HydrophobicContact CG1-CG2 4.07Å; V398-I404 HydrophobicContact CG1-CD1 3.96Å; V398-I404 HydrophobicContact CG2-CD1 4.21Å; V398-I415 HydrophobicContact CG1-CB 4.48Å; V398-I415 HydrophobicContact CG2-CD1 4.3Å
399E92.8Very high90.2Very high33 Ų3322.7 Ų22.715%0.15413%0.132CC..  trans-76.2169178.7-70.2-72.9146.800113.2K382 V385 S402 I415 K417K382-E399 VanDerWaalsContact CD-OE2 3.3Å; K382-E399 WeakPolarHBondContact CD-OE2 3.16Å; K382-E399 VanDerWaalsContact CE-CD 3.46Å; K382-E399 WeakPolarHBondContact CE-OE1 3.48Å; K382-E399 VanDerWaalsContact CE-OE2 3.31Å; K382-E399 WeakPolarHBondContact CE-OE2 3.18Å; K382-E399 IonicContact NZ-OE1 3.17Å; K382-E399 PolarHBondContact NZ-OE1 3.01Å; K382-E399 IonicContact NZ-OE2 3.57Å; K382-E399 PolarHBondContact NZ-OE2 2.98Å; V385-E399 WeakPolarHBondContact CG2-O 3.23Å; E399-S402 PolarHBondContact O-OG 3.4Å; E399-S402 VanDerWaalsContact O-OG 3.12Å; E399-I415 WeakPolarHBondContact CB-O 3.31Å; E399-I415 VanDerWaalsContact CG-O 3.25Å; E399-I415 WeakPolarHBondContact CG-O 3.23Å; E399-I415 PolarHBondContact N-O 3.27Å; E399-K417 HydrophobicContact CB-CB 4.45Å; E399-K417 HydrophobicContact CB-CG 3.74Å; E399-K417 HydrophobicContact CG-CG 4.37Å; E399-K417 VanDerWaalsContact OE2-CE 3.32Å; E399-K417 WeakPolarHBondContact OE2-CE 3.01Å
400E91.6Very high90.3Very high51 Ų5120.8 Ų20.824%0.23812%0.122CC..THydrogen-bonded Turntrans-58141.9-172.5-66171.5-113.500114K382 D383 R384 S402 K417 G418K382-E400 HydrophobicContact CB-CG 3.78Å; K382-E400 HydrophobicContact CD-CG 4.15Å; D383-E400 WeakPolarHBondContact O-CA 3.44Å; R384-E400 IonicContact NH2-OE2 2.73Å; R384-E400 PolarHBondContact NH2-OE2 3.29Å; E400-S402 VanDerWaalsContact C-N 3.28Å; E400-S402 PolarHBondContact O-N 3.45Å; E400-K417 WeakPolarHBondContact O-CA 3.4Å; E400-K417 IonicContact OE1-NZ 2.85Å; E400-K417 PolarHBondContact OE1-NZ 3.38Å; E400-G418 PolarHBondContact O-N 3.43Å
401G88.3Confident90.2Very high41 Ų4121.8 Ų21.842%0.42313%0.127SC..THydrogen-bonded Turntrans73.913.2170.300000115.3D383 R384D383-G401 PolarHBondContact O-N 2.97Å; R384-G401 WeakPolarHBondContact O-CA 3.49Å
402S91.1Very high90.2Very high1 Ų126.1 Ų26.11%0.00715%0.15CC..  trans-80.6141.3179.4-61.20000111.9V385 T386 E399 E400 E416 A419V385-S402 WeakPolarHBondContact CA-O 3.27Å; V385-S402 WeakPolarHBondContact CG1-O 3.47Å; T386-S402 PolarHBondContact N-O 3.01Å; E399-S402 PolarHBondContact O-OG 3.4Å; E399-S402 VanDerWaalsContact O-OG 3.12Å; E400-S402 VanDerWaalsContact C-N 3.28Å; E400-S402 PolarHBondContact O-N 3.45Å; S402-E416 PolarHBondContact OG-O 3.12Å; S402-E416 VanDerWaalsContact OG-O 3.13Å; S402-A419 CarbonylContact C-O 3.47Å; S402-A419 VanDerWaalsContact CA-O 3.31Å; S402-A419 WeakPolarHBondContact CA-O 3.23Å
403N92Very high90.1Very high46 Ų4626.1 Ų26.125%0.24615%0.15CC..EExtended strand (participates in β ladder)trans-116.7122.9174.8179.740.3000109.8T386 A419 D420 I421T386-N403 WeakPolarHBondContact OG1-CA 3.26Å; T386-N403 WeakPolarHBondContact OG1-CB 3.33Å; T386-N403 PolarHBondContact OG1-OD1 3.44Å; N403-A419 PolarHBondContact N-O 3.26Å; N403-D420 PolarHBondContact ND2-OD1 3.01Å; N403-D420 WeakPolarHBondContact O-CA 3.37Å; N403-I421 PolarHBondContact O-N 3.5Å
404I91.8Very high90.3Very high0 Ų028.2 Ų28.20%016%0.163CC..EExtended strand (participates in β ladder)trans-129.1124.4-175.7-45.7176.6000108.5T386 I387 T388 C390 V398 I409 I415 I421T386-I404 PolarHBondContact O-N 3.29Å; I387-I404 WeakPolarHBondContact CA-O 3.41Å; T388-I404 PolarHBondContact N-O 3.36Å; C390-I404 HydrophobicContact CB-CG2 4.42Å; C390-I404 VanDerWaalsContact SG-C 3.53Å; C390-I404 WeakPolarHBondContact SG-CG2 3.3Å; C390-I404 PolarHBondContact SG-O 3.05Å; C390-I404 VanDerWaalsContact SG-O 3.36Å; V398-I404 HydrophobicContact CG1-CD1 3.96Å; V398-I404 HydrophobicContact CG2-CD1 4.21Å; I404-I409 HydrophobicContact CD1-CD1 3.8Å; I404-I409 HydrophobicContact CG2-CD1 3.89Å; I404-I415 HydrophobicContact CD1-CD1 3.59Å; I404-I421 WeakPolarHBondContact CA-O 3.33Å; I404-I421 HydrophobicContact CG2-CB 4.33Å
405Q90.3Very high90.4Very high90 Ų9025.3 Ų25.342%0.42115%0.148SC..EExtended strand (participates in β ladder)trans-132.2133.8179.5-172.6177.2-8.200110.8T388 S407 I421 K422 D423T388-Q405 WeakPolarHBondContact O-CA 3.43Å; Q405-S407 PolarHBondContact O-N 3.13Å; Q405-S407 PolarHBondContact O-OG 3.1Å; Q405-I421 PolarHBondContact N-O 3.44Å; Q405-K422 HydrophobicContact CB-CG 4.29Å; Q405-K422 WeakPolarHBondContact O-CA 3.31Å; Q405-D423 PolarHBondContact O-N 3.4Å
406G85.8Confident90.5Very high3 Ų324.9 Ų24.93%0.03114%0.14CC..SBendtrans59.522.7170.200000114.4P143 T388 N389 C390 D423P143-G406 WeakPolarHBondContact CG-O 3.27Å; T388-G406 PolarHBondContact O-N 3.49Å; N389-G406 WeakPolarHBondContact O-CA 3.41Å; N389-G406 PolarHBondContact O-N 2.96Å; C390-G406 PolarHBondContact SG-N 2.9Å; G406-D423 WeakPolarHBondContact O-CA 3.27Å
407S88.3Confident90.5Very high1 Ų129.8 Ų29.81%0.00716%0.161CC..  trans-113148.3-168.1-60.50000112.2C390 L391 Q405 D423 C424C390-S407 WeakPolarHBondContact CA-O 3.44Å; C390-S407 WeakPolarHBondContact CB-O 3.08Å; L391-S407 PolarHBondContact N-O 3.17Å; Q405-S407 PolarHBondContact O-N 3.13Å; Q405-S407 PolarHBondContact O-OG 3.1Å; S407-D423 PolarHBondContact OG-N 3Å; S407-C424 CarbonylContact C-O 3.5Å; S407-C424 WeakPolarHBondContact CA-O 3.48Å; S407-C424 WeakPolarHBondContact CB-O 3.49Å; S407-C424 PolarHBondContact OG-N 3.09Å
408V89.1Confident90.2Very high0 Ų029.7 Ų29.70%017%0.167CC..EExtended strand (participates in β ladder)trans-105.7129.2171.5174.30000109.4L19 M320 L391 C424 L425 I426L19-V408 HydrophobicContact CD2-CG1 3.88Å; M320-V408 HydrophobicContact CE-CB 4.17Å; M320-V408 HydrophobicContact CE-CG2 3.14Å; M320-V408 HydrophobicContact CG-CG2 4.01Å; M320-V408 HydrophobicContact SD-CG2 3.82Å; L391-V408 HydrophobicContact CB-CG2 4.08Å; L391-V408 HydrophobicContact CD2-CG1 4.18Å; L391-V408 HydrophobicContact CD2-CG2 4.2Å; L391-V408 WeakPolarHBondContact O-CA 3.48Å; V408-C424 PolarHBondContact N-O 2.69Å; V408-L425 HydrophobicContact CB-CD1 3.68Å; V408-L425 HydrophobicContact CG1-CD1 3.73Å; V408-I426 PolarHBondContact O-N 3.45Å
409I89.9Confident90Very high0 Ų029.7 Ų29.70%017%0.167CC..EExtended strand (participates in β ladder)trans-124.4111.6-174.4-46.5-172.2000108L391 L392 M393 V396 I404 A413 I415 I426L391-I409 PolarHBondContact O-N 2.99Å; L392-I409 HydrophobicContact CD2-CB 3.61Å; L392-I409 HydrophobicContact CD2-CD1 3.17Å; L392-I409 HydrophobicContact CD2-CG1 3.54Å; L392-I409 HydrophobicContact CD2-CG2 4.34Å; M393-I409 WeakPolarHBondContact CG-O 3.28Å; M393-I409 PolarHBondContact N-O 2.99Å; V396-I409 HydrophobicContact CG1-CG2 3.77Å; V396-I409 HydrophobicContact CG2-CG2 4.13Å; I404-I409 HydrophobicContact CD1-CD1 3.8Å; I404-I409 HydrophobicContact CG2-CD1 3.89Å; I409-A413 HydrophobicContact CG2-CB 3.51Å; I409-I415 HydrophobicContact CD1-CD1 3.36Å; I409-I415 HydrophobicContact CG2-CD1 4.35Å; I409-I426 HydrophobicContact CD1-CD1 4.05Å; I409-I426 HydrophobicContact CG1-CD1 3.92Å; I409-I426 HydrophobicContact CG2-CB 4.32Å; I409-I426 HydrophobicContact CG2-CD1 4.16Å
410C88.3Confident89.9Confident4 Ų429.9 Ų29.93%0.02717%0.17CC..  trans-74.3174.1-177.6-65.80000112.8L19 M393 V396 A413 I426L19-C410 VanDerWaalsContact CD2-SG 3.52Å; M393-C410 HydrophobicContact SD-CB 4.16Å; V396-C410 WeakPolarHBondContact CG2-O 3.34Å; C410-A413 WeakPolarHBondContact O-CB 3.32Å; C410-A413 PolarHBondContact O-N 3.24Å; C410-I426 WeakPolarHBondContact CB-O 3.35Å; C410-I426 PolarHBondContact N-O 2.84Å; C410-I426 PolarHBondContact SG-O 2.65Å
411N87.9Confident89.9Confident27 Ų2727.5 Ų27.514%0.14416%0.158CC..THydrogen-bonded Turntrans-55.3144.2-175.7-70.5-22.7000113.4I23 M393 N394 A413 S428 G429I23-N411 WeakPolarHBondContact CD1-ND2 3.43Å; M393-N411 WeakPolarHBondContact CB-OD1 3.35Å; N394-N411 PolarHBondContact N-OD1 3.09Å; N394-N411 WeakPolarHBondContact O-CA 3.42Å; N411-A413 PolarHBondContact O-N 3.34Å; N411-A413 VanDerWaalsContact O-N 3.09Å; N411-S428 CarbonylContact O-C 3.59Å; N411-S428 VanDerWaalsContact O-CA 3.24Å; N411-S428 WeakPolarHBondContact O-CA 3.5Å; N411-G429 PolarHBondContact O-N 2.8Å
412N88.3Confident89.9Confident100 Ų10028.8 Ų28.854%0.53515%0.152SC..THydrogen-bonded Turntrans5917175.2-55.3-34.6000114.9N394 S395N394-N412 PolarHBondContact O-N 2.99Å; N394-N412 VanDerWaalsContact O-N 3.14Å; S395-N412 VanDerWaalsContact CB-OD1 3.22Å; S395-N412 WeakPolarHBondContact CB-OD1 3.04Å; S395-N412 WeakPolarHBondContact O-CA 3.4Å
413A89.8Confident89.7Confident0 Ų030.4 Ų30.40%016%0.161CC..  trans-72.5144175.600000111.1T397 I409 C410 N411 I426 Q430T397-A413 PolarHBondContact N-O 3.04Å; I409-A413 HydrophobicContact CG2-CB 3.51Å; C410-A413 WeakPolarHBondContact O-CB 3.32Å; C410-A413 PolarHBondContact O-N 3.24Å; N411-A413 PolarHBondContact O-N 3.34Å; N411-A413 VanDerWaalsContact O-N 3.09Å; A413-I426 HydrophobicContact CB-CG2 4.06Å; A413-Q430 WeakPolarHBondContact CA-O 3.11Å
414V91.9Very high89.4Confident48 Ų4828.2 Ų28.229%0.29115%0.149SC..EExtended strand (participates in β ladder)trans-121.6119.2180-177.70000109.6Q430 R431 I432V414-Q430 PolarHBondContact N-O 3.39Å; V414-R431 HydrophobicContact CB-CG 4.24Å; V414-R431 HydrophobicContact CG1-CG 4.4Å; V414-R431 CarbonylContact O-C 3.6Å; V414-R431 VanDerWaalsContact O-CA 3.31Å; V414-R431 WeakPolarHBondContact O-CA 3.46Å; V414-I432 PolarHBondContact O-N 3.46Å
415I91.9Very high89.2Confident0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-106.7115.6178.2-61.5172.1000108T397 V398 E399 I404 I409 A419 I421 I426 I432T397-I415 PolarHBondContact O-N 2.95Å; V398-I415 HydrophobicContact CG1-CB 4.48Å; V398-I415 HydrophobicContact CG2-CD1 4.3Å; E399-I415 WeakPolarHBondContact CB-O 3.31Å; E399-I415 VanDerWaalsContact CG-O 3.25Å; E399-I415 WeakPolarHBondContact CG-O 3.23Å; E399-I415 PolarHBondContact N-O 3.27Å; I404-I415 HydrophobicContact CD1-CD1 3.59Å; I409-I415 HydrophobicContact CD1-CD1 3.36Å; I409-I415 HydrophobicContact CG2-CD1 4.35Å; I415-A419 HydrophobicContact CG2-CB 3.68Å; I415-I421 HydrophobicContact CD1-CD1 3.8Å; I415-I421 HydrophobicContact CG1-CD1 4.14Å; I415-I421 HydrophobicContact CG2-CD1 3.83Å; I415-I426 HydrophobicContact CD1-CD1 4.11Å; I415-I426 HydrophobicContact CG1-CD1 4.46Å; I415-I432 HydrophobicContact CG1-CD1 4.48Å
416E91.9Very high89.1Confident43 Ų4324 Ų2420%0.20113%0.129CC..  trans-76.4172.6-179.5-68.3-171.4162.300114S402 G418 R431 I432 E433 A434S402-E416 PolarHBondContact OG-O 3.12Å; S402-E416 VanDerWaalsContact OG-O 3.13Å; E416-G418 PolarHBondContact O-N 2.74Å; E416-R431 HydrophobicContact CG-CG 4.45Å; E416-R431 IonicContact OE1-CZ 2.7Å; E416-R431 IonicContact OE1-NE 2.73Å; E416-R431 PolarHBondContact OE1-NE 3.29Å; E416-R431 IonicContact OE1-NH2 2.78Å; E416-R431 PolarHBondContact OE1-NH2 3.21Å; E416-I432 WeakPolarHBondContact CB-O 3.27Å; E416-I432 WeakPolarHBondContact CG-O 3.13Å; E416-I432 PolarHBondContact N-O 3.07Å; E416-I432 VanDerWaalsContact N-O 3.13Å; E416-E433 WeakPolarHBondContact OE2-CA 3.46Å; E416-A434 HydrophobicContact CB-CB 3.96Å; E416-A434 WeakPolarHBondContact OE2-CB 3.3Å; E416-A434 PolarHBondContact OE2-N 3.39Å
417K92.1Very high89Confident102 Ų10224 Ų2444%0.44313%0.129SC..THydrogen-bonded Turntrans-57.9130.4-171-66.4-174.5-178.1-148.20112.3E399 E400 A419 A434 K435E399-K417 HydrophobicContact CB-CB 4.45Å; E399-K417 HydrophobicContact CB-CG 3.74Å; E399-K417 HydrophobicContact CG-CG 4.37Å; E399-K417 VanDerWaalsContact OE2-CE 3.32Å; E399-K417 WeakPolarHBondContact OE2-CE 3.01Å; E400-K417 WeakPolarHBondContact O-CA 3.4Å; E400-K417 IonicContact OE1-NZ 2.85Å; E400-K417 PolarHBondContact OE1-NZ 3.38Å; K417-A419 PolarHBondContact O-N 2.63Å; K417-A434 WeakPolarHBondContact O-CA 3.2Å; K417-K435 PolarHBondContact O-N 2.68Å
418G88.1Confident88.8Confident33 Ų3325.2 Ų25.234%0.3414%0.138SC..THydrogen-bonded Turntrans71.222.4171.600000115.7E400 E416 K435E400-G418 PolarHBondContact O-N 3.43Å; E416-G418 PolarHBondContact O-N 2.74Å; G418-K435 WeakPolarHBondContact O-CA 3.41Å
419A89.8Confident88.5Confident1 Ų127.7 Ų27.71%0.00816%0.163CC..  trans-71.1140.5175.500000111.4S402 N403 I415 K417 I421 I432 A436S402-A419 CarbonylContact C-O 3.47Å; S402-A419 VanDerWaalsContact CA-O 3.31Å; S402-A419 WeakPolarHBondContact CA-O 3.23Å; N403-A419 PolarHBondContact N-O 3.26Å; I415-A419 HydrophobicContact CG2-CB 3.68Å; K417-A419 PolarHBondContact O-N 2.63Å; A419-I421 HydrophobicContact CB-CD1 4.25Å; A419-I421 HydrophobicContact CB-CG1 4.29Å; A419-I432 HydrophobicContact CB-CG2 4.24Å; A419-A436 WeakPolarHBondContact CA-O 3.43Å
420D90.8Very high88.3Confident37 Ų3730.3 Ų30.320%0.19818%0.175CC..EExtended strand (participates in β ladder)trans-116.3110.1172.9-171.726.3000108.7N403 K422 A436 K437 R438N403-D420 PolarHBondContact ND2-OD1 3.01Å; N403-D420 WeakPolarHBondContact O-CA 3.37Å; D420-K422 WeakPolarHBondContact OD1-CE 3.34Å; D420-K422 IonicContact OD2-NZ 2.96Å; D420-A436 PolarHBondContact N-O 3.34Å; D420-K437 HydrophobicContact CB-CG 4.27Å; D420-K437 WeakPolarHBondContact O-CA 3.44Å; D420-R438 PolarHBondContact O-N 3.33Å
421I90.1Very high88.2Confident0 Ų038.3 Ų38.30%021%0.205CC..EExtended strand (participates in β ladder)trans-122.3122.1-170.1-55.6169.3000108.4N403 I404 Q405 I415 A419 C424 I426 I432 R438N403-I421 PolarHBondContact O-N 3.5Å; I404-I421 WeakPolarHBondContact CA-O 3.33Å; I404-I421 HydrophobicContact CG2-CB 4.33Å; Q405-I421 PolarHBondContact N-O 3.44Å; I415-I421 HydrophobicContact CD1-CD1 3.8Å; I415-I421 HydrophobicContact CG1-CD1 4.14Å; I415-I421 HydrophobicContact CG2-CD1 3.83Å; A419-I421 HydrophobicContact CB-CD1 4.25Å; A419-I421 HydrophobicContact CB-CG1 4.29Å; I421-C424 HydrophobicContact CG2-CB 3.55Å; I421-I426 HydrophobicContact CD1-CD1 4.07Å; I421-I426 HydrophobicContact CG2-CD1 4.45Å; I421-I432 HydrophobicContact CD1-CD1 3.56Å; I421-I432 HydrophobicContact CG1-CD1 4.32Å; I421-R438 WeakPolarHBondContact CA-O 3.12Å
422K89.1Confident88.2Confident69 Ų6937.4 Ų37.430%0.320%0.2SC..EExtended strand (participates in β ladder)trans-132.2124-179.1-60.6-175.7-179.7171.10111.1Q405 D420 C424 R438 V439 N440Q405-K422 HydrophobicContact CB-CG 4.29Å; Q405-K422 WeakPolarHBondContact O-CA 3.31Å; D420-K422 WeakPolarHBondContact OD1-CE 3.34Å; D420-K422 IonicContact OD2-NZ 2.96Å; K422-C424 PolarHBondContact O-N 3.37Å; K422-C424 PolarHBondContact O-SG 2.71Å; K422-R438 PolarHBondContact N-O 3.1Å; K422-V439 HydrophobicContact CB-CG1 4.38Å; K422-V439 HydrophobicContact CB-CG2 4.33Å; K422-V439 VanDerWaalsContact O-CA 3.3Å; K422-V439 WeakPolarHBondContact O-CA 3.32Å; K422-N440 PolarHBondContact O-N 3.06Å
423D86.4Confident88.1Confident35 Ų3539.3 Ų39.319%0.18721%0.206CC..SBendtrans52.641.1176.6-52.6-38.9000112.5P143 G144 Q405 G406 S407 N440P143-D423 CarbonylContact C-O 3.4Å; P143-D423 VanDerWaalsContact CA-O 3.24Å; P143-D423 WeakPolarHBondContact CA-O 3.31Å; P143-D423 WeakPolarHBondContact CB-O 3.44Å; G144-D423 PolarHBondContact N-O 2.62Å; Q405-D423 PolarHBondContact O-N 3.4Å; G406-D423 WeakPolarHBondContact O-CA 3.27Å; S407-D423 PolarHBondContact OG-N 3Å; D423-N440 WeakPolarHBondContact CB-OD1 3.2Å; D423-N440 WeakPolarHBondContact O-CA 3.47Å
424C86.3Confident88Confident0 Ų041.7 Ų41.70%023%0.226CC..  trans-105.5152.3-180-65.20000111.9S407 V408 I421 K422 R438 E441S407-C424 CarbonylContact C-O 3.5Å; S407-C424 WeakPolarHBondContact CA-O 3.48Å; S407-C424 WeakPolarHBondContact CB-O 3.49Å; S407-C424 PolarHBondContact OG-N 3.09Å; V408-C424 PolarHBondContact N-O 2.69Å; I421-C424 HydrophobicContact CG2-CB 3.55Å; K422-C424 PolarHBondContact O-N 3.37Å; K422-C424 PolarHBondContact O-SG 2.71Å; C424-R438 VanDerWaalsContact SG-C 3.52Å; C424-R438 PolarHBondContact SG-O 2.93Å; C424-E441 VanDerWaalsContact CA-O 3.26Å; C424-E441 WeakPolarHBondContact CA-O 3.45Å; C424-E441 WeakPolarHBondContact CB-O 3.15Å
425L86.9Confident87.6Confident0 Ų047.8 Ų47.80%025%0.248CC..EExtended strand (participates in β ladder)trans-111.2119.5169.1177.461.3000108.8D18 L19 L316 V408 E441 V442 I443D18-L425 HydrophobicContact CB-CD2 3.34Å; D18-L425 HydrophobicContact CB-CG 4.48Å; L19-L425 HydrophobicContact CD2-CD1 3.68Å; L19-L425 HydrophobicContact CG-CD1 4.5Å; L316-L425 HydrophobicContact CD2-CD2 4.04Å; V408-L425 HydrophobicContact CB-CD1 3.68Å; V408-L425 HydrophobicContact CG1-CD1 3.73Å; L425-E441 PolarHBondContact N-O 2.92Å; L425-V442 HydrophobicContact CB-CG1 4.42Å; L425-V442 HydrophobicContact CB-CG2 4.29Å; L425-V442 HydrophobicContact CD2-CG1 4.14Å; L425-V442 HydrophobicContact CG-CG1 4.46Å; L425-I443 PolarHBondContact O-N 3.35Å
426I87.8Confident87.2Confident0 Ų048.5 Ų48.50%025%0.254CS..EExtended strand (participates in β ladder)trans-110.2118.5-178.4-53.7168.4000108.5V408 I409 C410 A413 I415 I421 Q430 I432V408-I426 PolarHBondContact O-N 3.45Å; I409-I426 HydrophobicContact CD1-CD1 4.05Å; I409-I426 HydrophobicContact CG1-CD1 3.92Å; I409-I426 HydrophobicContact CG2-CB 4.32Å; I409-I426 HydrophobicContact CG2-CD1 4.16Å; C410-I426 WeakPolarHBondContact CB-O 3.35Å; C410-I426 PolarHBondContact N-O 2.84Å; C410-I426 PolarHBondContact SG-O 2.65Å; A413-I426 HydrophobicContact CB-CG2 4.06Å; I415-I426 HydrophobicContact CD1-CD1 4.11Å; I415-I426 HydrophobicContact CG1-CD1 4.46Å; I421-I426 HydrophobicContact CD1-CD1 4.07Å; I421-I426 HydrophobicContact CG2-CD1 4.45Å; I426-Q430 HydrophobicContact CG2-CB 3.88Å; I426-I432 HydrophobicContact CD1-CD1 3.28Å; I426-I432 HydrophobicContact CD1-CG1 4.45Å; I426-I432 HydrophobicContact CG1-CD1 3.83Å; I426-I432 HydrophobicContact CG2-CD1 4.43Å
427G84.1Confident87Confident3 Ų354.5 Ų54.53%0.03128%0.28CS..  trans-68.3166.6178.600000113.4Q430 I443G427-Q430 WeakPolarHBondContact O-CB 3.38Å; G427-Q430 WeakPolarHBondContact O-CG 3.49Å; G427-Q430 PolarHBondContact O-N 3.38Å; G427-I443 PolarHBondContact N-O 2.73Å
428S83.8Confident86.6Confident28 Ų2854 Ų5420%0.19628%0.275CS..THydrogen-bonded Turntrans-62.7136.3-177.651.10000112.1S22 N411 Q430S22-S428 WeakPolarHBondContact CB-OG 3.43Å; N411-S428 CarbonylContact O-C 3.59Å; N411-S428 VanDerWaalsContact O-CA 3.24Å; N411-S428 WeakPolarHBondContact O-CA 3.5Å; S428-Q430 PolarHBondContact O-N 3.49Å
429G82.8Confident86.5Confident51 Ų5155.9 Ų55.953%0.52628%0.279SS..THydrogen-bonded Turntrans69.78.3176.600000115.4N411N411-G429 PolarHBondContact O-N 2.8Å
430Q85.9Confident86Confident55 Ų5558 Ų5826%0.25729%0.29SS..  trans-77.6144.4178.8-66.4-57.9-4700111.8A413 V414 I426 G427 S428A413-Q430 WeakPolarHBondContact CA-O 3.11Å; V414-Q430 PolarHBondContact N-O 3.39Å; I426-Q430 HydrophobicContact CG2-CB 3.88Å; G427-Q430 WeakPolarHBondContact O-CB 3.38Å; G427-Q430 WeakPolarHBondContact O-CG 3.49Å; G427-Q430 PolarHBondContact O-N 3.38Å; S428-Q430 PolarHBondContact O-N 3.49Å
431R87.4Confident85.6Confident172 Ų17258.7 Ų58.765%0.64929%0.293SS*.EExtended strand (participates in β ladder)trans-113.5123.3176.2-171.7172.5-178.2177.21.3110.1V414 E416V414-R431 HydrophobicContact CB-CG 4.24Å; V414-R431 HydrophobicContact CG1-CG 4.4Å; V414-R431 CarbonylContact O-C 3.6Å; V414-R431 VanDerWaalsContact O-CA 3.31Å; V414-R431 WeakPolarHBondContact O-CA 3.46Å; E416-R431 HydrophobicContact CG-CG 4.45Å; E416-R431 IonicContact OE1-CZ 2.7Å; E416-R431 IonicContact OE1-NE 2.73Å; E416-R431 PolarHBondContact OE1-NE 3.29Å; E416-R431 IonicContact OE1-NH2 2.78Å; E416-R431 PolarHBondContact OE1-NH2 3.21Å
432I87.6Confident85.2Confident8 Ų861.6 Ų61.64%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-95127.1175-64.7-176000109.1V414 I415 E416 A419 I421 I426 A436 I443V414-I432 PolarHBondContact O-N 3.46Å; I415-I432 HydrophobicContact CG1-CD1 4.48Å; E416-I432 WeakPolarHBondContact CB-O 3.27Å; E416-I432 WeakPolarHBondContact CG-O 3.13Å; E416-I432 PolarHBondContact N-O 3.07Å; E416-I432 VanDerWaalsContact N-O 3.13Å; A419-I432 HydrophobicContact CB-CG2 4.24Å; I421-I432 HydrophobicContact CD1-CD1 3.56Å; I421-I432 HydrophobicContact CG1-CD1 4.32Å; I426-I432 HydrophobicContact CD1-CD1 3.28Å; I426-I432 HydrophobicContact CD1-CG1 4.45Å; I426-I432 HydrophobicContact CG1-CD1 3.83Å; I426-I432 HydrophobicContact CG2-CD1 4.43Å; I432-A436 HydrophobicContact CG2-CB 3.94Å; I432-I443 HydrophobicContact CD1-CD1 4.25Å
433E86.3Confident84.7Confident140 Ų14060 Ų6065%0.65431%0.305SS*.PPolyproline II helixtrans-61.2149.2178.9-61.8178.8171.400113.3E416 A436E416-E433 WeakPolarHBondContact OE2-CA 3.46Å; E433-A436 VanDerWaalsContact O-CB 3.22Å; E433-A436 WeakPolarHBondContact O-CB 2.83Å; E433-A436 PolarHBondContact O-N 3.4Å
434A86.2Confident84.1Confident50 Ų5060.2 Ų60.241%0.41331%0.307SS..THydrogen-bonded Turntrans-58.4137.6178.300000111.6E416 K417 A436E416-A434 HydrophobicContact CB-CB 3.96Å; E416-A434 WeakPolarHBondContact OE2-CB 3.3Å; E416-A434 PolarHBondContact OE2-N 3.39Å; K417-A434 WeakPolarHBondContact O-CA 3.2Å; A434-A436 PolarHBondContact O-N 2.89Å; A434-A436 VanDerWaalsContact O-N 3.16Å
435K83.7Confident82.8Confident177 Ų17761 Ų6177%0.7732%0.316SS*.THydrogen-bonded Turntrans60.413.9-178.4-54.8177.9180175.20115.5K417 G418K417-K435 PolarHBondContact O-N 2.68Å; G418-K435 WeakPolarHBondContact O-CA 3.41Å
436A85Confident80.9Confident15 Ų1565.6 Ų65.612%0.12435%0.347CS..  trans-65.1138.1173.800000110.8A419 D420 I432 E433 A434 R438A419-A436 WeakPolarHBondContact CA-O 3.43Å; D420-A436 PolarHBondContact N-O 3.34Å; I432-A436 HydrophobicContact CG2-CB 3.94Å; E433-A436 VanDerWaalsContact O-CB 3.22Å; E433-A436 WeakPolarHBondContact O-CB 2.83Å; E433-A436 PolarHBondContact O-N 3.4Å; A434-A436 PolarHBondContact O-N 2.89Å; A434-A436 VanDerWaalsContact O-N 3.16Å; A436-R438 HydrophobicContact CB-CG 4.46Å
437K86.7Confident78.8Confident169 Ų16972.6 Ų72.674%0.73539%0.385SS*.EExtended strand (participates in β ladder)trans-107.7115.4169.6-65-170.5177-179.10108.5D420D420-K437 HydrophobicContact CB-CG 4.27Å; D420-K437 WeakPolarHBondContact O-CA 3.44Å
438R84.8Confident76.9Confident92 Ų9277.7 Ų77.735%0.34741%0.408SS..EExtended strand (participates in β ladder)trans-125127.8-177.3-62.2-66.8-174.4150.51.8109D420 I421 K422 C424 A436 E441 I443D420-R438 PolarHBondContact O-N 3.33Å; I421-R438 WeakPolarHBondContact CA-O 3.12Å; K422-R438 PolarHBondContact N-O 3.1Å; C424-R438 VanDerWaalsContact SG-C 3.52Å; C424-R438 PolarHBondContact SG-O 2.93Å; A436-R438 HydrophobicContact CB-CG 4.46Å; R438-E441 WeakPolarHBondContact CD-OE2 3.45Å; R438-E441 IonicContact CZ-OE2 3.36Å; R438-E441 IonicContact NE-OE2 3.14Å; R438-E441 IonicContact NH1-OE2 2.68Å; R438-E441 PolarHBondContact NH1-OE2 3.34Å; R438-I443 HydrophobicContact CG-CD1 4.19Å
439V84.9Confident74.9Confident71 Ų7182.8 Ų82.843%0.4343%0.432SS..EExtended strand (participates in β ladder)trans-137.9123.2-177-176.30000109.8K422 E441K422-V439 HydrophobicContact CB-CG1 4.38Å; K422-V439 HydrophobicContact CB-CG2 4.33Å; K422-V439 VanDerWaalsContact O-CA 3.3Å; K422-V439 WeakPolarHBondContact O-CA 3.32Å; V439-E441 WeakPolarHBondContact O-CG 3.31Å; V439-E441 PolarHBondContact O-N 3.32Å
440N80.6Confident72.4Confident45 Ų4588.5 Ų88.524%0.24145%0.447CS..SBendtrans54.748179.4-66.4-53.3000113.1K146 K422 D423K146-N440 HydrophobicContact CG-CB 4.36Å; K422-N440 PolarHBondContact O-N 3.06Å; D423-N440 WeakPolarHBondContact CB-OD1 3.2Å; D423-N440 WeakPolarHBondContact O-CA 3.47Å
441E80.9Confident69.9Low52 Ų5295.1 Ų95.124%0.24348%0.478CS..  trans-121.5141.1179-57.8-162.3149.600111.5K146 C424 L425 R438 V439 I443K146-E441 IonicContact NZ-OE1 3.26Å; K146-E441 PolarHBondContact NZ-OE1 3.49Å; K146-E441 VanDerWaalsContact NZ-OE1 3.15Å; C424-E441 VanDerWaalsContact CA-O 3.26Å; C424-E441 WeakPolarHBondContact CA-O 3.45Å; C424-E441 WeakPolarHBondContact CB-O 3.15Å; L425-E441 PolarHBondContact N-O 2.92Å; R438-E441 WeakPolarHBondContact CD-OE2 3.45Å; R438-E441 IonicContact CZ-OE2 3.36Å; R438-E441 IonicContact NE-OE2 3.14Å; R438-E441 IonicContact NH1-OE2 2.68Å; R438-E441 PolarHBondContact NH1-OE2 3.34Å; V439-E441 WeakPolarHBondContact O-CG 3.31Å; V439-E441 PolarHBondContact O-N 3.32Å; E441-I443 HydrophobicContact CB-CG1 4.35Å
442V81.9Confident67.4Low62 Ų6298.3 Ų98.338%0.37651%0.506SS..EExtended strand (participates in β ladder)trans-98.2112.7168-179.60000106.8L425 V444L425-V442 HydrophobicContact CB-CG1 4.42Å; L425-V442 HydrophobicContact CB-CG2 4.29Å; L425-V442 HydrophobicContact CD2-CG1 4.14Å; L425-V442 HydrophobicContact CG-CG1 4.46Å; V442-V444 HydrophobicContact CG1-CG2 3.61Å
443I79.6Confident66.4Low35 Ų35102.8 Ų102.818%0.17953%0.529CS..EExtended strand (participates in β ladder)trans-10984.3-179.3-54.2174.1000106.7L425 G427 I432 R438 E441L425-I443 PolarHBondContact O-N 3.35Å; G427-I443 PolarHBondContact N-O 2.73Å; I432-I443 HydrophobicContact CD1-CD1 4.25Å; R438-I443 HydrophobicContact CG-CD1 4.19Å; E441-I443 HydrophobicContact CB-CG1 4.35Å
444V74Confident65.3Low40 Ų40100.8 Ų100.824%0.24252%0.522CS..  trans-108.2137.7173.5-178.70000107.3D18 V442D18-V444 HydrophobicContact CB-CG2 4.19Å; V442-V444 HydrophobicContact CG1-CG2 3.61Å
445G58.6Low64.2Low17 Ų17103.7 Ų103.718%0.17553%0.528CS..  trans-58.9139.1-179.900000111.5D447G445-D447 PolarHBondContact O-N 2.97Å; G445-D447 VanDerWaalsContact O-N 3.1Å
446S47Very low63Low95 Ų9599.4 Ų99.466%0.66451%0.514SS*.G310 helixtrans-59.9-18.5-178.146.10000114.8Q448S446-Q448 VanDerWaalsContact C-N 3.33Å; S446-Q448 PolarHBondContact O-N 3.45Å
447D44.2Very low61.7Low147 Ų147104.6 Ų104.679%0.78654%0.538SS*.G310 helixtrans-87.33.4-167.7-66-2.3000114.3G445G445-D447 PolarHBondContact O-N 2.97Å; G445-D447 VanDerWaalsContact O-N 3.1Å
448Q44.2Very low60Low111 Ų111100.3 Ų100.352%0.51953%0.525SS..G310 helixtrans-122.24.2-177.7-67.2-176.3-9.700114.2S21 S446S21-Q448 PolarHBondContact OG-OE1 3.18Å; S446-Q448 VanDerWaalsContact C-N 3.33Å; S446-Q448 PolarHBondContact O-N 3.45Å
449L39.9Very low58.2Low134 Ų134100.9 Ų100.970%0.70254%0.538SS*.SBendtrans-91.3-0.3175.2-79.5165000113.4
450M32.2Very low56.2Low171 Ų171103.2 Ų103.284%0.84255%0.546SS*.  trans-105.272.4175.9-78.2-158.3-71.800110.9
451E32.5Very low54.1Low194 Ų194108.1 Ų108.191%0.90757%0.572SS**  trans-163.582.6151.5-107.6169.1-151.100106.8
452I34.8Very low51.7Low239 Ų239113.2 Ų113.2100%1.22660%0.602SS**  trans-122.70157.4-61.3178.8000106.3

Retrieved 452 of 452 residues in 153.9 ms (Link to these results)

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