A0A087YJ96_POEFO Loading...

Nucleoporin Nup37

Component of the Nup107-160 subcomplex of the nuclear pore complex (NPC). The Nup107-160 subcomplex is required for the assembly of a functional NPC. The Nup107-160 subcomplex is also required for normal kinetochore microtubule attachment, mitotic progression and chromosome segregation.

AlphaFold DB , UniProt , Accession A0A087YJ96, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 327 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
1M33.7Very low64.5Low230 Ų230116 Ų116100%1.13359%0.594SS**  089.70-161.7173.978.300105.5
2Q36Very low66.7Low187 Ų187112.3 Ų112.387%0.87458%0.58SS**  trans-93.4103.8-174.5-159.2165.918.900104.7D4Q2-D4 PolarHBondContact O-N 2.96Å
3E38.9Very low68.7Low153 Ų153105 Ų10572%0.71554%0.544SS*.  trans-56.1130.5177.1-74.6178.6158.300108.7L5E3-L5 VanDerWaalsContact C-N 3.26Å; E3-L5 PolarHBondContact O-N 3.43Å
4D45.4Very low70.4Confident148 Ų148106.3 Ų106.379%0.79156%0.559SS**  trans-63.890172.4-82.7-41000108.4Q2 T6Q2-D4 PolarHBondContact O-N 2.96Å; D4-T6 PolarHBondContact O-N 3.35Å
5L60.7Low71.8Confident120 Ų120100.1 Ų100.163%0.62853%0.528SS*.  trans-68.218.5177.5-76.2158.7000113.2E3 R7 I294E3-L5 VanDerWaalsContact C-N 3.26Å; E3-L5 PolarHBondContact O-N 3.43Å; L5-R7 PolarHBondContact O-N 3.09Å; L5-I294 HydrophobicContact CB-CD1 4.29Å
6T67.5Low72.7Confident63 Ų63104.1 Ų104.139%0.38754%0.543SS..EExtended strand (participates in β ladder)trans-73.6112.6178.452.20000109.9D4 I294D4-T6 PolarHBondContact O-N 3.35Å; T6-I294 CarbonylContact C-O 3.58Å; T6-I294 WeakPolarHBondContact CA-O 3.46Å; T6-I294 HydrophobicContact CG2-CG2 4.02Å
7R78.3Confident73.6Confident150 Ų150100.6 Ų100.657%0.56653%0.525SS*.EExtended strand (participates in β ladder)trans-84.4141.5172.5-65.2-170.4-178.7-177.21.3110.6L5 I294L5-R7 PolarHBondContact O-N 3.09Å; R7-I294 PolarHBondContact N-O 3.47Å
8S82.9Confident74.4Confident98 Ų9896.7 Ų96.769%0.68550%0.503SS*.PPolyproline II helixtrans-64.7153.9166520000110.2
9P85.2Confident75.2Confident32 Ų3291.6 Ų91.621%0.20848%0.476CS..PPolyproline II helixtrans-59.7146.117228.2-35.9000110.7T12 C321 F322 W323P9-T12 WeakPolarHBondContact CG-OG1 3.5Å; P9-C321 HydrophobicContact CB-CB 3.87Å; P9-C321 HydrophobicContact CG-CB 4.27Å; P9-F322 CarbonylContact C-O 3.55Å; P9-W323 HydrophobicContact CB-CZ2 4.32Å
10S89.2Confident76Confident55 Ų5588 Ų8839%0.38546%0.457SS..SBendtrans-64.8-42.7175.9-53.40000110.7F322 M324S10-F322 PolarHBondContact N-O 3.45Å; S10-M324 PolarHBondContact OG-N 2.72Å
11Y91.3Very high76.7Confident40 Ų4084.1 Ų84.116%0.15744%0.437CS..EExtended strand (participates in β ladder)trans-136.1155.1175.9-48-71.9000111.2F51 E53 V61 L311 F322 M324Y11-F51 HydrophobicContact CD2-CD1 4.04Å; Y11-F51 HydrophobicContact CD2-CE1 4.18Å; Y11-F51 HydrophobicContact CE2-CD1 4.19Å; Y11-E53 PolarHBondContact OH-OE1 2.66Å; Y11-V61 HydrophobicContact CD1-CB 4.35Å; Y11-V61 HydrophobicContact CD1-CG1 4.38Å; Y11-V61 HydrophobicContact CG-CB 4.06Å; Y11-V61 HydrophobicContact CG-CG1 4.1Å; Y11-L311 HydrophobicContact CD2-CD1 4.28Å; Y11-L311 HydrophobicContact CE2-CD1 4.36Å; Y11-F322 HydrophobicContact CD2-CB 4.27Å; Y11-F322 PolarHBondContact N-O 2.67Å; Y11-F322 PolarHBondContact O-N 3.48Å; Y11-M324 HydrophobicContact CE2-CE 4.23Å
12T91.8Very high79.6Confident71 Ų7173.2 Ų73.244%0.43638%0.383SS..EExtended strand (participates in β ladder)trans-139.2137.1175-60.90000110.1P9 K319 L320P9-T12 WeakPolarHBondContact CG-OG1 3.5Å; T12-K319 HydrophobicContact CG2-CB 3.86Å; T12-K319 HydrophobicContact CG2-CD 4.22Å; T12-K319 HydrophobicContact CG2-CG 4.47Å; T12-L320 CarbonylContact C-O 3.54Å; T12-L320 VanDerWaalsContact CA-O 3.29Å; T12-L320 WeakPolarHBondContact CA-O 3.38Å
13V92.8Very high82.5Confident18 Ų1865.9 Ų65.911%0.10935%0.349CS..EExtended strand (participates in β ladder)trans-119.5131.7172.8172.10000108V61 F63 K319 L320 F322V13-V61 HydrophobicContact CG2-CG1 3.88Å; V13-F63 HydrophobicContact CB-CB 4.46Å; V13-F63 HydrophobicContact CG1-CB 3.84Å; V13-F63 HydrophobicContact CG1-CD1 3.62Å; V13-F63 HydrophobicContact CG1-CE1 4.43Å; V13-F63 HydrophobicContact CG1-CG 3.86Å; V13-F63 HydrophobicContact CG2-CB 3.77Å; V13-F63 HydrophobicContact CG2-CG 4.47Å; V13-K319 CarbonylContact O-C 3.49Å; V13-K319 VanDerWaalsContact O-CA 3.22Å; V13-K319 WeakPolarHBondContact O-CA 3.45Å; V13-L320 HydrophobicContact CB-CB 4.32Å; V13-L320 PolarHBondContact N-O 2.84Å; V13-L320 PolarHBondContact O-N 3.16Å; V13-F322 HydrophobicContact CB-CE2 4.17Å; V13-F322 HydrophobicContact CG2-CE2 3.72Å; V13-F322 HydrophobicContact CG2-CZ 4.42Å
14T92.2Very high85.1Confident123 Ų12358.9 Ų58.976%0.75532%0.316SS*.EExtended strand (participates in β ladder)trans-79.2141.4178.852.70000111.3
15C90.4Very high87.4Confident14 Ų1452.1 Ų52.110%0.09528%0.281CS..  trans-122.1157.6177.4-54.90000109.8V19 Y38 R318C15-V19 HydrophobicContact CB-CG2 4.1Å; C15-Y38 HydrophobicContact CB-CE2 4.04Å; C15-R318 PolarHBondContact N-O 3.35Å; C15-R318 WeakPolarHBondContact O-CB 3.36Å
16E86.8Confident88.6Confident163 Ų16348.7 Ų48.776%0.76227%0.266SS*.SBendtrans-69.1-39-179.4-62.5-173.6168.100112.3
17D87.3Confident89.6Confident46 Ų4647.7 Ų47.725%0.24626%0.256CS..SBendtrans-134.9176.8-177.4-157.4-0.2000111.9V19 N41 Y43 R318D17-V19 PolarHBondContact O-N 2.61Å; D17-N41 VanDerWaalsContact CG-ND2 3.33Å; D17-N41 PolarHBondContact OD1-ND2 3.23Å; D17-N41 WeakPolarHBondContact OD2-CB 3.31Å; D17-N41 PolarHBondContact OD2-ND2 3.21Å; D17-Y43 HydrophobicContact CB-CE1 3.76Å; D17-Y43 WeakPolarHBondContact CB-OH 3.43Å; D17-Y43 PolarHBondContact N-OH 2.83Å; D17-R318 WeakPolarHBondContact O-CA 3.3Å
18Y88.4Confident89.8Confident30 Ų3043.1 Ų43.112%0.11825%0.247CC..  trans-57.4132.5175.8-173.2-85.5000111.8H20 G40 V299 S301 D317Y18-H20 AromaticContact CD1-CD2 3.74Å; Y18-H20 AromaticContact CD1-CE1 3.21Å; Y18-H20 WeakPolarHBondContact CD1-CE1 2.97Å; Y18-H20 AromaticContact CD1-CG 3.75Å; Y18-H20 AromaticContact CD1-ND1 3.45Å; Y18-H20 WeakPolarHBondContact CD1-ND1 3.24Å; Y18-H20 AromaticContact CD1-NE2 3.42Å; Y18-H20 WeakPolarHBondContact CD1-NE2 3.15Å; Y18-H20 AromaticContact CE1-CE1 3.42Å; Y18-H20 VanDerWaalsContact CE1-CE1 3.42Å; Y18-H20 WeakPolarHBondContact CE1-CE1 3.07Å; Y18-H20 AromaticContact CE1-CG 3.88Å; Y18-H20 AromaticContact CE1-ND1 3.28Å; Y18-H20 VanDerWaalsContact CE1-ND1 3.28Å; Y18-H20 WeakPolarHBondContact CE1-ND1 3.22Å; Y18-G40 WeakPolarHBondContact O-CA 3.21Å; Y18-V299 HydrophobicContact CE2-CB 4.09Å; Y18-V299 HydrophobicContact CE2-CG1 4.01Å; Y18-V299 WeakPolarHBondContact CE2-O 3.43Å; Y18-V299 VanDerWaalsContact CZ-O 3.29Å; Y18-V299 VanDerWaalsContact OH-CG1 3.26Å; Y18-V299 WeakPolarHBondContact OH-CG1 3.32Å; Y18-V299 PolarHBondContact OH-O 3.09Å; Y18-S301 WeakPolarHBondContact OH-CB 3.32Å; Y18-S301 PolarHBondContact OH-OG 2.87Å; Y18-D317 HydrophobicContact CD2-CB 4.18Å; Y18-D317 HydrophobicContact CE2-CB 4.49Å
19V90.8Very high89.4Confident0 Ų038.8 Ų38.80%022%0.217CC..  trans-95111.7179.6-178.40000110C15 D17 V21 V22 Y38 S301 G316 L320C15-V19 HydrophobicContact CB-CG2 4.1Å; D17-V19 PolarHBondContact O-N 2.61Å; V19-V21 WeakPolarHBondContact CG1-O 3.47Å; V19-V22 HydrophobicContact CG1-CB 4.29Å; V19-Y38 HydrophobicContact CG1-CD2 4.17Å; V19-Y38 HydrophobicContact CG1-CG 4.39Å; V19-Y38 HydrophobicContact CG2-CD2 3.78Å; V19-Y38 HydrophobicContact CG2-CE2 4.19Å; V19-S301 VanDerWaalsContact O-CB 3.31Å; V19-S301 WeakPolarHBondContact O-CB 3.37Å; V19-G316 PolarHBondContact N-O 2.9Å; V19-G316 VanDerWaalsContact N-O 3.17Å; V19-L320 HydrophobicContact CB-CD2 4.49Å; V19-L320 HydrophobicContact CG1-CD2 3.96Å; V19-L320 HydrophobicContact CG2-CD2 4.14Å
20H89.6Confident88.8Confident18 Ų1839 Ų398%0.08323%0.225CC..SBendtrans-88.5-32.3-179.8-69.8-73.9000113.6Y18 G39 N41 R74 V75 S301 G302Y18-H20 AromaticContact CD1-CD2 3.74Å; Y18-H20 AromaticContact CD1-CE1 3.21Å; Y18-H20 WeakPolarHBondContact CD1-CE1 2.97Å; Y18-H20 AromaticContact CD1-CG 3.75Å; Y18-H20 AromaticContact CD1-ND1 3.45Å; Y18-H20 WeakPolarHBondContact CD1-ND1 3.24Å; Y18-H20 AromaticContact CD1-NE2 3.42Å; Y18-H20 WeakPolarHBondContact CD1-NE2 3.15Å; Y18-H20 AromaticContact CE1-CE1 3.42Å; Y18-H20 VanDerWaalsContact CE1-CE1 3.42Å; Y18-H20 WeakPolarHBondContact CE1-CE1 3.07Å; Y18-H20 AromaticContact CE1-CG 3.88Å; Y18-H20 AromaticContact CE1-ND1 3.28Å; Y18-H20 VanDerWaalsContact CE1-ND1 3.28Å; Y18-H20 WeakPolarHBondContact CE1-ND1 3.22Å; H20-G39 PolarHBondContact N-O 3.35Å; H20-N41 PolarHBondContact NE2-OD1 2.92Å; H20-R74 HydrophobicContact CB-CG 4.49Å; H20-R74 VanDerWaalsContact ND1-CZ 3.33Å; H20-R74 PolarHBondContact ND1-NE 3.4Å; H20-V75 WeakPolarHBondContact CB-O 3.28Å; H20-S301 CarbonylContact O-C 3.59Å; H20-S301 VanDerWaalsContact O-CB 3.25Å; H20-S301 WeakPolarHBondContact O-CB 3.23Å; H20-G302 PolarHBondContact O-N 2.79Å
21V92.1Very high88.3Confident8 Ų838.3 Ų38.35%0.04822%0.22CC..EExtended strand (participates in β ladder)trans-140.8143.6178.362.90000109V19 E23 Y38 G39 V75 L78V19-V21 WeakPolarHBondContact CG1-O 3.47Å; V21-E23 HydrophobicContact CG2-CG 4.34Å; V21-Y38 CarbonylContact O-C 3.59Å; V21-Y38 VanDerWaalsContact O-CA 3.23Å; V21-Y38 WeakPolarHBondContact O-CA 2.85Å; V21-G39 PolarHBondContact N-O 2.9Å; V21-G39 PolarHBondContact O-N 2.81Å; V21-V75 HydrophobicContact CG1-CB 4.35Å; V21-V75 HydrophobicContact CG1-CG1 3.86Å; V21-L78 HydrophobicContact CG1-CB 4.13Å; V21-L78 HydrophobicContact CG2-CB 3.98Å
22V94.9Very high87.5Confident0 Ų041.5 Ų41.50%025%0.245CC..EExtended strand (participates in β ladder)trans-143.5131.8174.558.10000108.1V19 L36 A37 S304 V313 L320V19-V22 HydrophobicContact CG1-CB 4.29Å; V22-L36 HydrophobicContact CG2-CD1 3.66Å; V22-L36 HydrophobicContact CG2-CD2 4.42Å; V22-L36 HydrophobicContact CG2-CG 4.28Å; V22-A37 WeakPolarHBondContact CA-O 3.35Å; V22-S304 WeakPolarHBondContact O-CB 3.31Å; V22-V313 HydrophobicContact CG1-CG1 4.12Å; V22-V313 HydrophobicContact CG1-CG2 4.5Å; V22-V313 HydrophobicContact CG2-CB 4.48Å; V22-V313 HydrophobicContact CG2-CG1 3.64Å; V22-V313 HydrophobicContact CG2-CG2 3.98Å; V22-L320 HydrophobicContact CB-CD2 4.22Å; V22-L320 HydrophobicContact CG2-CD2 3.89Å
23E95.5Very high87.1Confident34 Ų3438.6 Ų38.616%0.15923%0.229CC..EExtended strand (participates in β ladder)trans-143.6123.4-179.8-70.1-68.3168.400110V21 A37 L78 W80 R259 S304V21-E23 HydrophobicContact CG2-CG 4.34Å; E23-A37 PolarHBondContact N-O 3.42Å; E23-A37 PolarHBondContact O-N 3.07Å; E23-L78 HydrophobicContact CB-CD2 3.83Å; E23-L78 HydrophobicContact CG-CB 4.48Å; E23-L78 HydrophobicContact CG-CD2 4.3Å; E23-W80 PolarHBondContact O-NE1 2.83Å; E23-R259 IonicContact OE1-NH2 2.7Å; E23-S304 PolarHBondContact OE2-OG 3.03Å
24F94.9Very high87Confident5 Ų538.4 Ų38.42%0.02223%0.228CC..EExtended strand (participates in β ladder)trans-70.4146163.7-82.3-72.1000108.8P26 L36 C49 F51 S304 W305 H306 L311 V313 F322F24-P26 VanDerWaalsContact O-CD 3.31Å; F24-P26 WeakPolarHBondContact O-CD 3.43Å; F24-L36 HydrophobicContact CB-CD1 4.38Å; F24-L36 HydrophobicContact CD1-CB 4.07Å; F24-L36 HydrophobicContact CD1-CD1 3.59Å; F24-L36 HydrophobicContact CD1-CG 4.41Å; F24-L36 HydrophobicContact CD2-CD1 3.92Å; F24-L36 HydrophobicContact CE1-CB 4.1Å; F24-L36 HydrophobicContact CE1-CD1 3.74Å; F24-L36 HydrophobicContact CE1-CG 4.35Å; F24-L36 HydrophobicContact CE2-CD1 4.08Å; F24-L36 HydrophobicContact CG-CD1 3.68Å; F24-L36 HydrophobicContact CZ-CD1 4Å; F24-C49 HydrophobicContact CE1-CB 4.24Å; F24-F51 HydrophobicContact CE1-CE2 4.44Å; F24-F51 HydrophobicContact CZ-CE2 4.21Å; F24-F51 HydrophobicContact CZ-CZ 4.11Å; F24-S304 PolarHBondContact N-OG 2.88Å; F24-W305 WeakPolarHBondContact CB-O 3.27Å; F24-W305 WeakPolarHBondContact CD2-O 3.46Å; F24-H306 HydrophobicContact CD2-CB 4.41Å; F24-H306 AromaticContact CE1-CD2 3.78Å; F24-H306 HydrophobicContact CE2-CB 4.19Å; F24-H306 HydrophobicContact CZ-CB 4.48Å; F24-H306 AromaticContact CZ-CD2 3.88Å; F24-L311 HydrophobicContact CE2-CD2 4.24Å; F24-L311 HydrophobicContact CZ-CD2 4.37Å; F24-V313 HydrophobicContact CD2-CG1 3.67Å; F24-V313 HydrophobicContact CE2-CB 3.84Å; F24-V313 HydrophobicContact CE2-CG1 3.41Å; F24-V313 VanDerWaalsContact CE2-CG1 3.41Å; F24-V313 HydrophobicContact CZ-CG1 4.35Å; F24-F322 HydrophobicContact CE2-CE1 4.37Å; F24-F322 HydrophobicContact CZ-CD1 4.31Å; F24-F322 AromaticContact CZ-CE1 3.85Å; F24-F322 HydrophobicContact CZ-CE1 3.85Å
25S92.6Very high87Confident7 Ų732.7 Ų32.75%0.04919%0.193CC..  trans-64.3121.8166.6-176.90000108.6F27 L35 W80S25-F27 PolarHBondContact O-N 2.88Å; S25-F27 PolarHBondContact OG-N 3.07Å; S25-F27 PolarHBondContact OG-O 2.63Å; S25-L35 PolarHBondContact N-O 3.31Å; S25-W80 VanDerWaalsContact CA-CD1 3.43Å
26P86.6Confident87.2Confident48 Ų4832 Ų3231%0.31219%0.188SC..SBendtrans-73.2-9.917531.9-33.6000111.4F24 I262 R307F24-P26 VanDerWaalsContact O-CD 3.31Å; F24-P26 WeakPolarHBondContact O-CD 3.43Å; P26-I262 HydrophobicContact CB-CD1 4.02Å; P26-R307 VanDerWaalsContact O-CD 3.28Å; P26-R307 WeakPolarHBondContact O-CD 3.3Å
27F87.4Confident87.6Confident42 Ų4224.2 Ų24.218%0.18415%0.152CC..SBendtrans-99.2155.3-176.1-49.2-69.2000111.6S25 S29 W80 P82 P134S25-F27 PolarHBondContact O-N 2.88Å; S25-F27 PolarHBondContact OG-N 3.07Å; S25-F27 PolarHBondContact OG-O 2.63Å; F27-S29 PolarHBondContact O-N 2.73Å; F27-W80 HydrophobicContact CD2-CB 4.32Å; F27-W80 HydrophobicContact CE2-CB 4.3Å; F27-W80 WeakPolarHBondContact CE2-O 3.21Å; F27-P82 HydrophobicContact CD1-CB 3.71Å; F27-P82 HydrophobicContact CD2-CB 4.07Å; F27-P82 HydrophobicContact CE1-CB 3.66Å; F27-P82 HydrophobicContact CE1-CG 4.41Å; F27-P82 HydrophobicContact CE2-CB 4Å; F27-P82 HydrophobicContact CE2-CG 4.48Å; F27-P82 VanDerWaalsContact CE2-N 3.32Å; F27-P82 HydrophobicContact CG-CB 3.91Å; F27-P82 HydrophobicContact CZ-CB 3.8Å; F27-P82 HydrophobicContact CZ-CG 4.2Å; F27-P134 HydrophobicContact CE1-CB 4.36Å; F27-P134 VanDerWaalsContact CE1-O 3.3Å; F27-P134 WeakPolarHBondContact CE1-O 3.3Å
28S82Confident88Confident54 Ų5422.6 Ų22.638%0.37814%0.142SC..  trans-69.2119.7172.9-176.90000110G30S28-G30 PolarHBondContact O-N 2.65Å; S28-G30 PolarHBondContact OG-N 2.83Å
29S75.3Confident88.2Confident7 Ų721.2 Ų21.25%0.04914%0.137CC..  trans-75.1-8.2173.157.60000112.7F27 S31 A33 L86 D87F27-S29 PolarHBondContact O-N 2.73Å; S29-S31 PolarHBondContact O-N 2.83Å; S29-S31 PolarHBondContact OG-N 2.85Å; S29-S31 PolarHBondContact OG-O 3.12Å; S29-A33 PolarHBondContact OG-O 2.85Å; S29-L86 PolarHBondContact O-N 3.11Å; S29-D87 PolarHBondContact O-N 3.02Å
30G73.4Confident88.1Confident36 Ų3621.2 Ų21.237%0.37114%0.137SC..SBendtrans71.3-1.9-172.800000114.8S28S28-G30 PolarHBondContact O-N 2.65Å; S28-G30 PolarHBondContact OG-N 2.83Å
31S78Confident88.1Confident40 Ų4023 Ų2328%0.2815%0.147SC..SBendtrans-99.8152.1170.4159.80000109.5S29 A33S29-S31 PolarHBondContact O-N 2.83Å; S29-S31 PolarHBondContact OG-N 2.85Å; S29-S31 PolarHBondContact OG-O 3.12Å; S31-A33 PolarHBondContact O-N 2.78Å; S31-A33 PolarHBondContact OG-N 2.85Å; S31-A33 VanDerWaalsContact OG-N 3.12Å
32P74.9Confident87.9Confident107 Ų10728.3 Ų28.370%0.69517%0.172SC*.SBendtrans-60.5-35.3170.825.2-33.8000111.7
33A84.1Confident87.8Confident11 Ų1129.1 Ų29.19%0.09118%0.175CC..SBendtrans-75.5133.1177.100000112.1S29 S31 T48 C49 L50S29-A33 PolarHBondContact OG-O 2.85Å; S31-A33 PolarHBondContact O-N 2.78Å; S31-A33 PolarHBondContact OG-N 2.85Å; S31-A33 VanDerWaalsContact OG-N 3.12Å; A33-T48 HydrophobicContact CB-CG2 4.36Å; A33-C49 CarbonylContact C-O 3.56Å; A33-C49 WeakPolarHBondContact CA-O 3.24Å; A33-L50 HydrophobicContact CB-CB 4.21Å; A33-L50 HydrophobicContact CB-CD1 4.46Å
34S90.3Very high87.7Confident13 Ų1327.7 Ų27.79%0.09117%0.168CC..EExtended strand (participates in β ladder)trans-74.8133.9177.9-77.50000111.6T48 C49 H306S34-T48 CarbonylContact O-C 3.52Å; S34-T48 WeakPolarHBondContact O-CA 3.24Å; S34-C49 PolarHBondContact N-O 2.94Å; S34-C49 PolarHBondContact O-N 3.37Å; S34-H306 WeakPolarHBondContact CB-NE2 3.45Å; S34-H306 PolarHBondContact OG-CE1 2.94Å; S34-H306 PolarHBondContact OG-NE2 2.82Å
35L92.6Very high87.7Confident3 Ų328 Ų282%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-78.7131.7177-168.470.4000109.9S25 V46 T48 L66 W80 L86S25-L35 PolarHBondContact N-O 3.31Å; L35-V46 HydrophobicContact CD1-CG1 3.79Å; L35-V46 HydrophobicContact CG-CG1 4.46Å; L35-T48 HydrophobicContact CD1-CG2 4.27Å; L35-L66 HydrophobicContact CD1-CD1 4.36Å; L35-W80 HydrophobicContact CD1-CH2 4.36Å; L35-W80 HydrophobicContact CD2-CD2 4.43Å; L35-W80 HydrophobicContact CD2-CE3 3.95Å; L35-W80 HydrophobicContact CD2-CH2 3.38Å; L35-W80 HydrophobicContact CD2-CZ2 3.86Å; L35-W80 HydrophobicContact CD2-CZ3 3.43Å; L35-W80 VanDerWaalsContact CD2-CZ3 3.43Å; L35-W80 HydrophobicContact CG-CH2 3.65Å; L35-W80 HydrophobicContact CG-CZ2 3.79Å; L35-W80 HydrophobicContact CG-CZ3 4.23Å; L35-L86 HydrophobicContact CD1-CD1 4.13Å
36L94.6Very high87.7Confident0 Ų027.7 Ų27.70%017%0.168CC..EExtended strand (participates in β ladder)trans-131136179.8-177.373000109.4V22 F24 G47 F63 V313 L320 F322V22-L36 HydrophobicContact CG2-CD1 3.66Å; V22-L36 HydrophobicContact CG2-CD2 4.42Å; V22-L36 HydrophobicContact CG2-CG 4.28Å; F24-L36 HydrophobicContact CB-CD1 4.38Å; F24-L36 HydrophobicContact CD1-CB 4.07Å; F24-L36 HydrophobicContact CD1-CD1 3.59Å; F24-L36 HydrophobicContact CD1-CG 4.41Å; F24-L36 HydrophobicContact CD2-CD1 3.92Å; F24-L36 HydrophobicContact CE1-CB 4.1Å; F24-L36 HydrophobicContact CE1-CD1 3.74Å; F24-L36 HydrophobicContact CE1-CG 4.35Å; F24-L36 HydrophobicContact CE2-CD1 4.08Å; F24-L36 HydrophobicContact CG-CD1 3.68Å; F24-L36 HydrophobicContact CZ-CD1 4Å; L36-G47 PolarHBondContact N-O 2.87Å; L36-G47 PolarHBondContact O-N 3.06Å; L36-G47 VanDerWaalsContact O-O 3.05Å; L36-F63 HydrophobicContact CD2-CE2 4.28Å; L36-V313 HydrophobicContact CD1-CG1 4.18Å; L36-L320 HydrophobicContact CD2-CD1 3.72Å; L36-F322 HydrophobicContact CD2-CE1 4.37Å; L36-F322 HydrophobicContact CD2-CZ 4.23Å
37A94.9Very high88Confident0 Ų025.4 Ų25.40%015%0.153CC..EExtended strand (participates in β ladder)trans-120.6144.6167.100000110.5V22 E23 V44 V45 V46 L78 W80V22-A37 WeakPolarHBondContact CA-O 3.35Å; E23-A37 PolarHBondContact N-O 3.42Å; E23-A37 PolarHBondContact O-N 3.07Å; A37-V44 HydrophobicContact CB-CG1 4.4Å; A37-V45 VanDerWaalsContact CA-O 3.25Å; A37-V45 WeakPolarHBondContact CA-O 3.4Å; A37-V46 HydrophobicContact CB-CG2 4.2Å; A37-L78 HydrophobicContact CB-CD1 3.68Å; A37-L78 HydrophobicContact CB-CD2 3.86Å; A37-L78 HydrophobicContact CB-CG 4.47Å; A37-W80 HydrophobicContact CB-CH2 4Å; A37-W80 HydrophobicContact CB-CZ2 3.26Å
38Y94.8Very high88.3Confident12 Ų1224.3 Ų24.35%0.04715%0.15CC..EExtended strand (participates in β ladder)trans-137.8140.1170.471.2-93000111.4C15 V19 V21 Y43 V44 V45 F63 L320C15-Y38 HydrophobicContact CB-CE2 4.04Å; V19-Y38 HydrophobicContact CG1-CD2 4.17Å; V19-Y38 HydrophobicContact CG1-CG 4.39Å; V19-Y38 HydrophobicContact CG2-CD2 3.78Å; V19-Y38 HydrophobicContact CG2-CE2 4.19Å; V21-Y38 CarbonylContact O-C 3.59Å; V21-Y38 VanDerWaalsContact O-CA 3.23Å; V21-Y38 WeakPolarHBondContact O-CA 2.85Å; Y38-Y43 HydrophobicContact CD2-CE2 4.32Å; Y38-Y43 AromaticContact CE2-CE2 3.73Å; Y38-Y43 HydrophobicContact CE2-CE2 3.73Å; Y38-V44 CarbonylContact O-C 3.59Å; Y38-V44 WeakPolarHBondContact O-CA 3.45Å; Y38-V45 HydrophobicContact CD1-CB 4.03Å; Y38-V45 HydrophobicContact CD1-CG1 4.33Å; Y38-V45 HydrophobicContact CE1-CB 3.52Å; Y38-V45 HydrophobicContact CE1-CG1 3.57Å; Y38-V45 HydrophobicContact CE1-CG2 4.29Å; Y38-V45 HydrophobicContact CE2-CB 4.06Å; Y38-V45 HydrophobicContact CE2-CG2 4.17Å; Y38-V45 PolarHBondContact N-O 2.85Å; Y38-V45 PolarHBondContact O-N 2.82Å; Y38-F63 HydrophobicContact CD1-CZ 4.38Å; Y38-F63 HydrophobicContact CE1-CE1 4.11Å; Y38-F63 AromaticContact CE1-CZ 3.74Å; Y38-F63 HydrophobicContact CE1-CZ 3.74Å; Y38-L320 HydrophobicContact CD1-CD1 3.84Å; Y38-L320 HydrophobicContact CE1-CD1 4.14Å; Y38-L320 HydrophobicContact CG-CD1 4.4Å; Y38-L320 HydrophobicContact CG-CD2 4.38Å
39G92.6Very high88.8Confident0 Ų021.7 Ų21.70%013%0.132CC..EExtended strand (participates in β ladder)trans-105128.9-178.800000111.5H20 V21H20-G39 PolarHBondContact N-O 3.35Å; V21-G39 PolarHBondContact N-O 2.9Å; V21-G39 PolarHBondContact O-N 2.81Å
40G89.4Confident89.7Confident0 Ų022.4 Ų22.40%014%0.135CC..  trans-101.2-160.1173.900000113.1Y18 Y43 V75Y18-G40 WeakPolarHBondContact O-CA 3.21Å; G40-Y43 PolarHBondContact N-O 3.07Å; G40-V75 PolarHBondContact O-N 2.79Å
41N88.4Confident90.6Very high57 Ų5720.7 Ų20.731%0.30512%0.118SC..SBendtrans-70.5-32.5175.9-72.6-46.5000113.1D17 H20 L73 R74D17-N41 VanDerWaalsContact CG-ND2 3.33Å; D17-N41 PolarHBondContact OD1-ND2 3.23Å; D17-N41 WeakPolarHBondContact OD2-CB 3.31Å; D17-N41 PolarHBondContact OD2-ND2 3.21Å; H20-N41 PolarHBondContact NE2-OD1 2.92Å; N41-L73 CarbonylContact O-C 3.5Å; N41-R74 VanDerWaalsContact O-CA 3.26Å; N41-R74 WeakPolarHBondContact O-CA 3.15Å; N41-R74 PolarHBondContact O-N 2.96Å
42Q89.3Confident91.2Very high119 Ų11922.6 Ų22.656%0.55612%0.122SC*.SBendtrans-13713-172.2-67.7-175.8-6.400114.1H71Q42-H71 CarbonylContact C-O 3.1Å; Q42-H71 WeakPolarHBondContact CA-O 3.46Å; Q42-H71 CarbonylContact O-C 3.58Å; Q42-H71 PolarHBondContact O-N 3.06Å
43Y91.4Very high91.9Very high17 Ų1721.5 Ų21.57%0.06711%0.107CC..EExtended strand (participates in β ladder)trans-158.5163.5-174.861.4-101.2000112.1D17 Y38 G40 V45 F69D17-Y43 HydrophobicContact CB-CE1 3.76Å; D17-Y43 WeakPolarHBondContact CB-OH 3.43Å; D17-Y43 PolarHBondContact N-OH 2.83Å; Y38-Y43 HydrophobicContact CD2-CE2 4.32Å; Y38-Y43 AromaticContact CE2-CE2 3.73Å; Y38-Y43 HydrophobicContact CE2-CE2 3.73Å; G40-Y43 PolarHBondContact N-O 3.07Å; Y43-V45 HydrophobicContact CD2-CG2 3.68Å; Y43-V45 HydrophobicContact CE2-CG2 3.77Å; Y43-F69 CarbonylContact C-O 2.92Å; Y43-F69 WeakPolarHBondContact CA-O 3.25Å
44V93.7Very high92Very high3 Ų323.6 Ų23.62%0.01812%0.115CC..EExtended strand (participates in β ladder)trans-123.8124.4162.4179.50000107.9A37 Y38 F69 V75 L78 F95 T97A37-V44 HydrophobicContact CB-CG1 4.4Å; Y38-V44 CarbonylContact O-C 3.59Å; Y38-V44 WeakPolarHBondContact O-CA 3.45Å; V44-F69 PolarHBondContact N-O 2.89Å; V44-F69 PolarHBondContact O-N 2.84Å; V44-V75 HydrophobicContact CG2-CB 4.41Å; V44-V75 HydrophobicContact CG2-CG1 4.43Å; V44-V75 HydrophobicContact CG2-CG2 3.67Å; V44-L78 HydrophobicContact CG1-CD1 3.63Å; V44-F95 HydrophobicContact CB-CE2 4.43Å; V44-F95 HydrophobicContact CG1-CE2 3.91Å; V44-F95 HydrophobicContact CG1-CZ 4.19Å; V44-T97 HydrophobicContact CG2-CG2 4.11Å
45V94.6Very high91.9Very high12 Ų1225.7 Ų25.77%0.07313%0.126CC..EExtended strand (participates in β ladder)trans-99.1129.6173.1173.70000108.5A37 Y38 Y43 F63 A65 R67 A68A37-V45 VanDerWaalsContact CA-O 3.25Å; A37-V45 WeakPolarHBondContact CA-O 3.4Å; Y38-V45 HydrophobicContact CD1-CB 4.03Å; Y38-V45 HydrophobicContact CD1-CG1 4.33Å; Y38-V45 HydrophobicContact CE1-CB 3.52Å; Y38-V45 HydrophobicContact CE1-CG1 3.57Å; Y38-V45 HydrophobicContact CE1-CG2 4.29Å; Y38-V45 HydrophobicContact CE2-CB 4.06Å; Y38-V45 HydrophobicContact CE2-CG2 4.17Å; Y38-V45 PolarHBondContact N-O 2.85Å; Y38-V45 PolarHBondContact O-N 2.82Å; Y43-V45 HydrophobicContact CD2-CG2 3.68Å; Y43-V45 HydrophobicContact CE2-CG2 3.77Å; V45-F63 HydrophobicContact CG1-CZ 4.19Å; V45-A65 HydrophobicContact CG1-CB 4.08Å; V45-R67 WeakPolarHBondContact CA-O 3.36Å; V45-A68 HydrophobicContact CG2-CB 4.04Å
46V94.3Very high91.6Very high0 Ų034.2 Ų34.20%017%0.167CC..EExtended strand (participates in β ladder)trans-105.5129168.5173.30000107.9L35 A37 L66 R67 F69 W80 F95 L111L35-V46 HydrophobicContact CD1-CG1 3.79Å; L35-V46 HydrophobicContact CG-CG1 4.46Å; A37-V46 HydrophobicContact CB-CG2 4.2Å; V46-L66 WeakPolarHBondContact O-CB 3.27Å; V46-L66 PolarHBondContact O-N 3.46Å; V46-R67 PolarHBondContact N-O 3.15Å; V46-R67 PolarHBondContact O-N 2.99Å; V46-F69 HydrophobicContact CB-CE2 4.19Å; V46-F69 HydrophobicContact CG2-CD2 4.15Å; V46-F69 HydrophobicContact CG2-CE2 3.71Å; V46-W80 HydrophobicContact CB-CH2 4.44Å; V46-W80 HydrophobicContact CG1-CH2 3.75Å; V46-W80 HydrophobicContact CG2-CH2 3.88Å; V46-F95 HydrophobicContact CG2-CD1 4.33Å; V46-F95 HydrophobicContact CG2-CE1 3.72Å; V46-F95 HydrophobicContact CG2-CZ 4.07Å; V46-L111 HydrophobicContact CG1-CD2 4.23Å
47G92.6Very high91.4Very high0 Ų042.9 Ų42.90%021%0.208CC..EExtended strand (participates in β ladder)trans-148.7173.4179.400000112.5L36 N64L36-G47 PolarHBondContact N-O 2.87Å; L36-G47 PolarHBondContact O-N 3.06Å; L36-G47 VanDerWaalsContact O-O 3.05Å; G47-N64 CarbonylContact C-O 3.58Å; G47-N64 WeakPolarHBondContact CA-O 3.39Å
48T93.2Very high91Very high19 Ų1943.5 Ų43.512%0.11721%0.212CC..EExtended strand (participates in β ladder)trans-111138173.553.30000110.2A33 S34 L35 F63 N64 L66 L86A33-T48 HydrophobicContact CB-CG2 4.36Å; S34-T48 CarbonylContact O-C 3.52Å; S34-T48 WeakPolarHBondContact O-CA 3.24Å; L35-T48 HydrophobicContact CD1-CG2 4.27Å; T48-F63 WeakPolarHBondContact O-CA 3.32Å; T48-N64 PolarHBondContact N-O 3.29Å; T48-N64 PolarHBondContact O-N 2.8Å; T48-L66 HydrophobicContact CG2-CD1 3.84Å; T48-L66 HydrophobicContact CG2-CG 4.38Å; T48-L86 HydrophobicContact CG2-CD1 3.63Å
49C93.4Very high90.6Very high0 Ų050.2 Ų50.20%025%0.248CC..EExtended strand (participates in β ladder)trans-108.2130.5170.7-67.50000109.2F24 A33 S34 F51 Q62 F63F24-C49 HydrophobicContact CE1-CB 4.24Å; A33-C49 CarbonylContact C-O 3.56Å; A33-C49 WeakPolarHBondContact CA-O 3.24Å; S34-C49 PolarHBondContact N-O 2.94Å; S34-C49 PolarHBondContact O-N 3.37Å; C49-F51 HydrophobicContact CB-CD2 4.47Å; C49-F51 HydrophobicContact CB-CE2 3.69Å; C49-F51 HydrophobicContact CB-CZ 3.98Å; C49-Q62 WeakPolarHBondContact CA-O 3.5Å; C49-F63 VanDerWaalsContact SG-CD2 3.57Å
50L92.8Very high90.5Very high22 Ų2250.7 Ų50.712%0.11525%0.253CS..EExtended strand (participates in β ladder)trans-121.1129.9165.4-172.663.1000108A33 E54 D55 V58 Q62A33-L50 HydrophobicContact CB-CB 4.21Å; A33-L50 HydrophobicContact CB-CD1 4.46Å; L50-E54 HydrophobicContact CD1-CB 4.05Å; L50-D55 HydrophobicContact CD1-CB 4.19Å; L50-D55 HydrophobicContact CD2-CB 3.89Å; L50-D55 HydrophobicContact CG-CB 4.1Å; L50-V58 HydrophobicContact CB-CG2 4.48Å; L50-V58 HydrophobicContact CD2-CG2 3.62Å; L50-V58 HydrophobicContact CG-CG2 3.91Å; L50-Q62 PolarHBondContact N-O 2.85Å; L50-Q62 PolarHBondContact O-N 2.95Å
51F91.9Very high90.6Very high0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-106.4152-179-62.7-86.2000110.7Y11 F24 C49 E53 E54 D55 V61 H306 L309 L311 F322Y11-F51 HydrophobicContact CD2-CD1 4.04Å; Y11-F51 HydrophobicContact CD2-CE1 4.18Å; Y11-F51 HydrophobicContact CE2-CD1 4.19Å; F24-F51 HydrophobicContact CE1-CE2 4.44Å; F24-F51 HydrophobicContact CZ-CE2 4.21Å; F24-F51 HydrophobicContact CZ-CZ 4.11Å; C49-F51 HydrophobicContact CB-CD2 4.47Å; C49-F51 HydrophobicContact CB-CE2 3.69Å; C49-F51 HydrophobicContact CB-CZ 3.98Å; F51-E53 WeakPolarHBondContact CB-OE2 3.49Å; F51-E53 PolarHBondContact O-N 3.21Å; F51-E53 VanDerWaalsContact O-N 3.15Å; F51-E54 PolarHBondContact O-N 2.79Å; F51-D55 PolarHBondContact O-N 3.29Å; F51-D55 VanDerWaalsContact O-N 3.08Å; F51-V61 HydrophobicContact CD1-CB 3.97Å; F51-V61 HydrophobicContact CD1-CG2 3.67Å; F51-V61 HydrophobicContact CE1-CB 4.02Å; F51-V61 HydrophobicContact CE1-CG2 3.42Å; F51-V61 VanDerWaalsContact CE1-CG2 3.42Å; F51-V61 HydrophobicContact CG-CG2 4.45Å; F51-V61 HydrophobicContact CZ-CG2 4.03Å; F51-H306 AromaticContact CE2-CD2 3.71Å; F51-H306 AromaticContact CE2-NE2 3.96Å; F51-L309 HydrophobicContact CB-CD1 4.12Å; F51-L309 HydrophobicContact CD2-CD1 4.21Å; F51-L309 HydrophobicContact CG-CD1 4.31Å; F51-L311 HydrophobicContact CD1-CD1 3.8Å; F51-L311 HydrophobicContact CE1-CD1 3.56Å; F51-L311 HydrophobicContact CE1-CD2 4.33Å; F51-L311 HydrophobicContact CG-CD1 4.4Å; F51-L311 HydrophobicContact CZ-CD1 3.98Å; F51-L311 HydrophobicContact CZ-CD2 4.01Å; F51-F322 AromaticContact CE1-CD1 3.97Å; F51-F322 HydrophobicContact CE1-CD1 3.97Å; F51-F322 HydrophobicContact CE1-CE1 4.35Å; F51-F322 HydrophobicContact CE1-CG 4.18Å; F51-F322 AromaticContact CZ-CD1 3.77Å; F51-F322 HydrophobicContact CZ-CD1 3.77Å; F51-F322 AromaticContact CZ-CE1 3.86Å; F51-F322 HydrophobicContact CZ-CE1 3.86Å; F51-F322 HydrophobicContact CZ-CG 4.43Å
52Q91.5Very high90.8Very high79 Ų7954.9 Ų54.937%0.36927%0.273SS..THydrogen-bonded Turntrans-54.7-30.3176.5-179168.317.400113.2E54 D55 V58 G60Q52-E54 PolarHBondContact O-N 2.85Å; Q52-D55 WeakPolarHBondContact CA-O 3.32Å; Q52-D55 CarbonylContact O-C 3.57Å; Q52-V58 VanDerWaalsContact CB-O 3.27Å; Q52-V58 WeakPolarHBondContact CB-O 3.4Å; Q52-V58 WeakPolarHBondContact CG-O 3.35Å; Q52-G60 PolarHBondContact N-O 2.86Å
53E89.4Confident91Very high84 Ų8451.3 Ų51.339%0.39326%0.256SS..THydrogen-bonded Turntrans-70.2-20.4176.9-66.373.5-160.700113.4Y11 F51 L309 M324Y11-E53 PolarHBondContact OH-OE1 2.66Å; F51-E53 WeakPolarHBondContact CB-OE2 3.49Å; F51-E53 PolarHBondContact O-N 3.21Å; F51-E53 VanDerWaalsContact O-N 3.15Å; E53-L309 HydrophobicContact CB-CD1 4.15Å; E53-L309 HydrophobicContact CB-CD2 4.1Å; E53-M324 HydrophobicContact CB-CE 4.4Å; E53-M324 VanDerWaalsContact CD-SD 3.56Å; E53-M324 HydrophobicContact CG-CE 3.66Å; E53-M324 HydrophobicContact CG-SD 3.79Å; E53-M324 WeakPolarHBondContact OE2-CE 3.35Å
54E87.2Confident91.1Very high55 Ų5554.7 Ų54.726%0.25728%0.275SS..THydrogen-bonded Turntrans-97.5-33.1177.5-61.7178.3128.600111.5L50 F51 Q52 H306 L309L50-E54 HydrophobicContact CD1-CB 4.05Å; F51-E54 PolarHBondContact O-N 2.79Å; Q52-E54 PolarHBondContact O-N 2.85Å; E54-H306 IonicContact OE1-CE1 3.89Å; E54-H306 PolarHBondContact OE1-CE1 3.46Å; E54-H306 IonicContact OE1-NE2 3.36Å; E54-H306 IonicContact OE2-NE2 2.72Å; E54-L309 HydrophobicContact CG-CD1 3.97Å; E54-L309 HydrophobicContact CG-CD2 4.5Å; E54-L309 HydrophobicContact CG-CG 4.37Å
55D88Confident91Very high57 Ų5757.3 Ų57.331%0.30530%0.297SS..  trans-140.2114.5178.4-168-21.3000111L50 F51 Q52 E57 V58L50-D55 HydrophobicContact CD1-CB 4.19Å; L50-D55 HydrophobicContact CD2-CB 3.89Å; L50-D55 HydrophobicContact CG-CB 4.1Å; F51-D55 PolarHBondContact O-N 3.29Å; F51-D55 VanDerWaalsContact O-N 3.08Å; Q52-D55 WeakPolarHBondContact CA-O 3.32Å; Q52-D55 CarbonylContact O-C 3.57Å; D55-E57 PolarHBondContact O-N 3.41Å; D55-E57 VanDerWaalsContact O-N 3.14Å; D55-E57 WeakPolarHBondContact OD1-CB 3.26Å; D55-E57 PolarHBondContact OD1-N 2.91Å; D55-V58 HydrophobicContact CB-CG2 4.18Å; D55-V58 PolarHBondContact O-N 3.26Å
56M85.9Confident90.9Very high182 Ų18259.6 Ų59.690%0.89731%0.309SS*.THydrogen-bonded Turntrans-65.5-14.8-178.3-64.6-177.766.200113.5V58M56-V58 VanDerWaalsContact C-N 3.29Å
57E89.6Confident90.7Very high182 Ų18263.8 Ų63.885%0.8533%0.325SS*.THydrogen-bonded Turntrans-76.5-17.9175-61.4-170.4173.700112.6D55D55-E57 PolarHBondContact O-N 3.41Å; D55-E57 VanDerWaalsContact O-N 3.14Å; D55-E57 WeakPolarHBondContact OD1-CB 3.26Å; D55-E57 PolarHBondContact OD1-N 2.91Å
58V87.9Confident90.6Very high13 Ų1365.9 Ų65.98%0.07934%0.342CS..SBendtrans-86127.5177.61780000110.4L50 Q52 D55 M56 G60 Q62L50-V58 HydrophobicContact CB-CG2 4.48Å; L50-V58 HydrophobicContact CD2-CG2 3.62Å; L50-V58 HydrophobicContact CG-CG2 3.91Å; Q52-V58 VanDerWaalsContact CB-O 3.27Å; Q52-V58 WeakPolarHBondContact CB-O 3.4Å; Q52-V58 WeakPolarHBondContact CG-O 3.35Å; D55-V58 HydrophobicContact CB-CG2 4.18Å; D55-V58 PolarHBondContact O-N 3.26Å; M56-V58 VanDerWaalsContact C-N 3.29Å; V58-G60 PolarHBondContact O-N 3.27Å; V58-Q62 HydrophobicContact CG1-CB 3.93Å; V58-Q62 HydrophobicContact CG2-CB 4.48Å
59D85.7Confident90.5Very high153 Ų15366 Ų6682%0.81834%0.341SS*.SBendtrans-88.4102.3169.8-168.518.7000109.9V61D59-V61 PolarHBondContact O-N 3.45Å
60G89.3Confident90.2Very high10 Ų1073.7 Ų73.710%0.10338%0.376CS..SBendtrans76.2-107.7-177.300000114.8Q52 V58Q52-G60 PolarHBondContact N-O 2.86Å; V58-G60 PolarHBondContact O-N 3.27Å
61V92.9Very high89.6Confident31 Ų3173.7 Ų73.719%0.18838%0.376CS..EExtended strand (participates in β ladder)trans-127.6130179.567.50000111.2Y11 V13 F51 D59Y11-V61 HydrophobicContact CD1-CB 4.35Å; Y11-V61 HydrophobicContact CD1-CG1 4.38Å; Y11-V61 HydrophobicContact CG-CB 4.06Å; Y11-V61 HydrophobicContact CG-CG1 4.1Å; V13-V61 HydrophobicContact CG2-CG1 3.88Å; F51-V61 HydrophobicContact CD1-CB 3.97Å; F51-V61 HydrophobicContact CD1-CG2 3.67Å; F51-V61 HydrophobicContact CE1-CB 4.02Å; F51-V61 HydrophobicContact CE1-CG2 3.42Å; F51-V61 VanDerWaalsContact CE1-CG2 3.42Å; F51-V61 HydrophobicContact CG-CG2 4.45Å; F51-V61 HydrophobicContact CZ-CG2 4.03Å; D59-V61 PolarHBondContact O-N 3.45Å
62Q93.3Very high89.2Confident114 Ų11480.5 Ų80.553%0.53341%0.412SS..EExtended strand (participates in β ladder)trans-104.4111.6169.4-171.8177.26.100109.4C49 L50 V58C49-Q62 WeakPolarHBondContact CA-O 3.5Å; L50-Q62 PolarHBondContact N-O 2.85Å; L50-Q62 PolarHBondContact O-N 2.95Å; V58-Q62 HydrophobicContact CG1-CB 3.93Å; V58-Q62 HydrophobicContact CG2-CB 4.48Å
63F93.4Very high89.2Confident44 Ų4479.6 Ų79.619%0.19341%0.409CS..EExtended strand (participates in β ladder)trans-103.6121.8171.2179.5-107.7000110.4V13 L36 Y38 V45 T48 C49 A65V13-F63 HydrophobicContact CB-CB 4.46Å; V13-F63 HydrophobicContact CG1-CB 3.84Å; V13-F63 HydrophobicContact CG1-CD1 3.62Å; V13-F63 HydrophobicContact CG1-CE1 4.43Å; V13-F63 HydrophobicContact CG1-CG 3.86Å; V13-F63 HydrophobicContact CG2-CB 3.77Å; V13-F63 HydrophobicContact CG2-CG 4.47Å; L36-F63 HydrophobicContact CD2-CE2 4.28Å; Y38-F63 HydrophobicContact CD1-CZ 4.38Å; Y38-F63 HydrophobicContact CE1-CE1 4.11Å; Y38-F63 AromaticContact CE1-CZ 3.74Å; Y38-F63 HydrophobicContact CE1-CZ 3.74Å; V45-F63 HydrophobicContact CG1-CZ 4.19Å; T48-F63 WeakPolarHBondContact O-CA 3.32Å; C49-F63 VanDerWaalsContact SG-CD2 3.57Å; F63-A65 HydrophobicContact CE1-CB 4.03Å; F63-A65 HydrophobicContact CZ-CB 4.48Å
64N92.1Very high89.2Confident89 Ų8980.3 Ų80.348%0.47641%0.409SS..EExtended strand (participates in β ladder)trans-113.4112.9174.4-173.623.1000109.8G47 T48 L66G47-N64 CarbonylContact C-O 3.58Å; G47-N64 WeakPolarHBondContact CA-O 3.39Å; T48-N64 PolarHBondContact N-O 3.29Å; T48-N64 PolarHBondContact O-N 2.8Å; N64-L66 PolarHBondContact O-N 3.38Å
65A92.6Very high89.4Confident58 Ų5877.7 Ų77.748%0.47940%0.396SS..EExtended strand (participates in β ladder)trans-73.811317500000109.3V45 F63V45-A65 HydrophobicContact CG1-CB 4.08Å; F63-A65 HydrophobicContact CE1-CB 4.03Å; F63-A65 HydrophobicContact CZ-CB 4.48Å
66L90.8Very high89.5Confident59 Ų5977.4 Ų77.431%0.30940%0.395SS..EExtended strand (participates in β ladder)trans-80.4-45.8179.8-62.2-177000110.8L35 V46 T48 N64 L86 L111L35-L66 HydrophobicContact CD1-CD1 4.36Å; V46-L66 WeakPolarHBondContact O-CB 3.27Å; V46-L66 PolarHBondContact O-N 3.46Å; T48-L66 HydrophobicContact CG2-CD1 3.84Å; T48-L66 HydrophobicContact CG2-CG 4.38Å; N64-L66 PolarHBondContact O-N 3.38Å; L66-L86 HydrophobicContact CD1-CD1 4.11Å; L66-L86 HydrophobicContact CD1-CD2 4.25Å; L66-L111 HydrophobicContact CB-CD1 4.36Å; L66-L111 HydrophobicContact CD1-CD1 3.71Å
67R90.9Very high89.8Confident89 Ų8969 Ų6934%0.33635%0.354SS..EExtended strand (participates in β ladder)trans-155.1144.4-179.2-166.364.1-179.4-142-5.3112.1V45 V46 F69 L111 Q112V45-R67 WeakPolarHBondContact CA-O 3.36Å; V46-R67 PolarHBondContact N-O 3.15Å; V46-R67 PolarHBondContact O-N 2.99Å; R67-F69 HydrophobicContact CB-CE2 4.02Å; R67-F69 HydrophobicContact CB-CZ 4.08Å; R67-F69 HydrophobicContact CG-CD1 4.37Å; R67-F69 HydrophobicContact CG-CD2 4.46Å; R67-F69 HydrophobicContact CG-CE1 3.93Å; R67-F69 HydrophobicContact CG-CE2 4.01Å; R67-F69 HydrophobicContact CG-CZ 3.75Å; R67-L111 HydrophobicContact CB-CD2 4.26Å; R67-Q112 VanDerWaalsContact CZ-O 3.3Å; R67-Q112 PolarHBondContact NH1-O 3.31Å; R67-Q112 PolarHBondContact NH2-O 2.82Å
68A91.7Very high90.1Very high44 Ų4460.6 Ų60.636%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-106.3129.2164.500000109.6V45V45-A68 HydrophobicContact CG2-CB 4.04Å
69F90.4Very high90.5Very high21 Ų2160.5 Ų60.59%0.09232%0.315CS..EExtended strand (participates in β ladder)trans-105.5112.2175.1-60.8-79.4000108.4Y43 V44 V46 R67 F95 L107 L111 N115Y43-F69 CarbonylContact C-O 2.92Å; Y43-F69 WeakPolarHBondContact CA-O 3.25Å; V44-F69 PolarHBondContact N-O 2.89Å; V44-F69 PolarHBondContact O-N 2.84Å; V46-F69 HydrophobicContact CB-CE2 4.19Å; V46-F69 HydrophobicContact CG2-CD2 4.15Å; V46-F69 HydrophobicContact CG2-CE2 3.71Å; R67-F69 HydrophobicContact CB-CE2 4.02Å; R67-F69 HydrophobicContact CB-CZ 4.08Å; R67-F69 HydrophobicContact CG-CD1 4.37Å; R67-F69 HydrophobicContact CG-CD2 4.46Å; R67-F69 HydrophobicContact CG-CE1 3.93Å; R67-F69 HydrophobicContact CG-CE2 4.01Å; R67-F69 HydrophobicContact CG-CZ 3.75Å; F69-F95 HydrophobicContact CD2-CE1 4.14Å; F69-F95 AromaticContact CD2-CZ 3.65Å; F69-F95 HydrophobicContact CD2-CZ 3.65Å; F69-F95 AromaticContact CE2-CE1 3.78Å; F69-F95 HydrophobicContact CE2-CE1 3.78Å; F69-F95 AromaticContact CE2-CZ 3.79Å; F69-F95 HydrophobicContact CE2-CZ 3.79Å; F69-F95 HydrophobicContact CG-CZ 4.27Å; F69-F95 HydrophobicContact CZ-CE1 4.31Å; F69-L107 HydrophobicContact CB-CD2 4.07Å; F69-L107 HydrophobicContact CD1-CD2 3.24Å; F69-L107 HydrophobicContact CD2-CD2 3.91Å; F69-L107 HydrophobicContact CE1-CD2 3.44Å; F69-L107 VanDerWaalsContact CE1-CD2 3.44Å; F69-L107 HydrophobicContact CE2-CD2 4.1Å; F69-L107 HydrophobicContact CG-CD2 3.46Å; F69-L107 VanDerWaalsContact CG-CD2 3.46Å; F69-L107 HydrophobicContact CZ-CD2 3.87Å; F69-L111 HydrophobicContact CE2-CD2 4.36Å; F69-L111 HydrophobicContact CZ-CD2 4.04Å; F69-N115 WeakPolarHBondContact CE1-OD1 3.39Å
70H87.4Confident91Very high162 Ų16253.6 Ų53.675%0.7528%0.278SS*.EExtended strand (participates in β ladder)trans-72133.2177.5-69-74.6000110.5
71H80Confident91.2Very high21 Ų2153.1 Ų53.110%0.09727%0.273CS..  trans-142107.5-177.3-174.3-73.3000106.8Q42 L73 A99 R105Q42-H71 CarbonylContact C-O 3.1Å; Q42-H71 WeakPolarHBondContact CA-O 3.46Å; Q42-H71 CarbonylContact O-C 3.58Å; Q42-H71 PolarHBondContact O-N 3.06Å; H71-L73 PolarHBondContact ND1-N 2.86Å; H71-L73 PolarHBondContact ND1-O 2.97Å; H71-L73 PolarHBondContact O-N 3.48Å; H71-A99 WeakPolarHBondContact CE1-CB 3.37Å; H71-R105 WeakPolarHBondContact NE2-CD 3.41Å; H71-R105 PolarHBondContact NE2-NE 2.77Å; H71-R105 VanDerWaalsContact NE2-NE 3.12Å; H71-R105 PolarHBondContact NE2-NH1 3.14Å
72D84Confident91.1Very high143 Ų14352.6 Ų52.677%0.76527%0.27SS*.SBendtrans-62.42.8-169.7-60.6-43.4000116
73L90Very high90.7Very high60 Ų6050.6 Ų50.631%0.31426%0.261SS..SBendtrans-129.9155.3-179.6-52.1168000110.7N41 H71 V75 A99 D101N41-L73 CarbonylContact O-C 3.5Å; H71-L73 PolarHBondContact ND1-N 2.86Å; H71-L73 PolarHBondContact ND1-O 2.97Å; H71-L73 PolarHBondContact O-N 3.48Å; L73-V75 PolarHBondContact O-N 2.88Å; L73-A99 HydrophobicContact CB-CB 4.22Å; L73-A99 HydrophobicContact CD1-CB 4.44Å; L73-D101 HydrophobicContact CD1-CB 3.6Å; L73-D101 VanDerWaalsContact CD1-CG 3.47Å
74R90Very high90.4Very high100 Ų10048.5 Ų48.538%0.37725%0.251SS..  trans-61.3134.1172.4170.8-178.6150.6170.3-2.2110.7H20 N41 D76 A99 A100H20-R74 HydrophobicContact CB-CG 4.49Å; H20-R74 VanDerWaalsContact ND1-CZ 3.33Å; H20-R74 PolarHBondContact ND1-NE 3.4Å; N41-R74 VanDerWaalsContact O-CA 3.26Å; N41-R74 WeakPolarHBondContact O-CA 3.15Å; N41-R74 PolarHBondContact O-N 2.96Å; R74-D76 IonicContact CZ-OD1 3.14Å; R74-D76 IonicContact NE-OD1 3.64Å; R74-D76 PolarHBondContact NE-OD1 2.85Å; R74-D76 IonicContact NH2-OD1 3.99Å; R74-D76 PolarHBondContact NH2-OD1 2.89Å; R74-A99 WeakPolarHBondContact O-CA 3.38Å; R74-A99 WeakPolarHBondContact O-CB 3.42Å; R74-A100 PolarHBondContact O-N 3.31Å
75V91.4Very high89.8Confident0 Ų048 Ų480%024%0.243CC..EExtended strand (participates in β ladder)trans-91.3127.4174.4-176.80000109.7H20 V21 G40 V44 L73 A77 T97H20-V75 WeakPolarHBondContact CB-O 3.28Å; V21-V75 HydrophobicContact CG1-CB 4.35Å; V21-V75 HydrophobicContact CG1-CG1 3.86Å; G40-V75 PolarHBondContact O-N 2.79Å; V44-V75 HydrophobicContact CG2-CB 4.41Å; V44-V75 HydrophobicContact CG2-CG1 4.43Å; V44-V75 HydrophobicContact CG2-CG2 3.67Å; L73-V75 PolarHBondContact O-N 2.88Å; V75-A77 WeakPolarHBondContact CG1-O 3.26Å; V75-T97 HydrophobicContact CG1-CG2 4.23Å
76D90.8Very high89.3Confident51 Ų5147 Ų4727%0.27323%0.23SC..EExtended strand (participates in β ladder)trans-106.2-25.8-175.7-71.2-52.3000113.1R74 A98R74-D76 IonicContact CZ-OD1 3.14Å; R74-D76 IonicContact NE-OD1 3.64Å; R74-D76 PolarHBondContact NE-OD1 2.85Å; R74-D76 IonicContact NH2-OD1 3.99Å; R74-D76 PolarHBondContact NH2-OD1 2.89Å; D76-A98 PolarHBondContact N-O 3.35Å
77A92.6Very high88.7Confident5 Ų548.1 Ų48.14%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-146.1150.9174.900000110.9V75 T97 A98 L130V75-A77 WeakPolarHBondContact CG1-O 3.26Å; A77-T97 WeakPolarHBondContact O-CA 3.36Å; A77-A98 HydrophobicContact CB-CB 4.21Å; A77-A98 PolarHBondContact N-O 2.91Å; A77-A98 PolarHBondContact O-N 2.72Å; A77-L130 HydrophobicContact CB-CD2 3.53Å; A77-L130 HydrophobicContact CB-CG 4.4Å
78L95.3Very high87.9Confident6 Ų650.9 Ų50.93%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-141.6142-179.4-172.2146.1000108.8V21 E23 A37 V44 F95 C96 T97V21-L78 HydrophobicContact CG1-CB 4.13Å; V21-L78 HydrophobicContact CG2-CB 3.98Å; E23-L78 HydrophobicContact CB-CD2 3.83Å; E23-L78 HydrophobicContact CG-CB 4.48Å; E23-L78 HydrophobicContact CG-CD2 4.3Å; A37-L78 HydrophobicContact CB-CD1 3.68Å; A37-L78 HydrophobicContact CB-CD2 3.86Å; A37-L78 HydrophobicContact CB-CG 4.47Å; V44-L78 HydrophobicContact CG1-CD1 3.63Å; L78-F95 HydrophobicContact CD1-CD2 4.29Å; L78-F95 HydrophobicContact CG-CD2 4.47Å; L78-C96 CarbonylContact C-O 2.96Å; L78-C96 WeakPolarHBondContact CA-O 3.47Å; L78-T97 HydrophobicContact CD1-CG2 4.24Å; L78-T97 HydrophobicContact CG-CG2 4.43Å
79A96.1Very high87Confident10 Ų1057 Ų578%0.08327%0.271CS..EExtended strand (participates in β ladder)trans-143.3142171.500000111.2F95 C96 L130 F132A79-F95 CarbonylContact O-C 3.56Å; A79-F95 WeakPolarHBondContact O-CA 3.44Å; A79-F95 VanDerWaalsContact O-CB 3.26Å; A79-F95 WeakPolarHBondContact O-CB 3.42Å; A79-C96 PolarHBondContact N-O 3.42Å; A79-C96 PolarHBondContact O-N 3.46Å; A79-L130 HydrophobicContact CB-CD1 3.5Å; A79-L130 VanDerWaalsContact CB-CD1 3.5Å; A79-L130 HydrophobicContact CB-CG 4.11Å; A79-F132 HydrophobicContact CB-CD2 3.92Å; A79-F132 HydrophobicContact CB-CE2 4.32Å; A79-F132 WeakPolarHBondContact O-CE2 3.27Å
80W95.4Very high86Confident9 Ų960.4 Ų60.43%0.03430%0.295CS..EExtended strand (participates in β ladder)trans-86.9144.2177.3-72.8104.5000111.8E23 S25 F27 L35 A37 V46 F95 F132E23-W80 PolarHBondContact O-NE1 2.83Å; S25-W80 VanDerWaalsContact CA-CD1 3.43Å; F27-W80 HydrophobicContact CD2-CB 4.32Å; F27-W80 HydrophobicContact CE2-CB 4.3Å; F27-W80 WeakPolarHBondContact CE2-O 3.21Å; L35-W80 HydrophobicContact CD1-CH2 4.36Å; L35-W80 HydrophobicContact CD2-CD2 4.43Å; L35-W80 HydrophobicContact CD2-CE3 3.95Å; L35-W80 HydrophobicContact CD2-CH2 3.38Å; L35-W80 HydrophobicContact CD2-CZ2 3.86Å; L35-W80 HydrophobicContact CD2-CZ3 3.43Å; L35-W80 VanDerWaalsContact CD2-CZ3 3.43Å; L35-W80 HydrophobicContact CG-CH2 3.65Å; L35-W80 HydrophobicContact CG-CZ2 3.79Å; L35-W80 HydrophobicContact CG-CZ3 4.23Å; A37-W80 HydrophobicContact CB-CH2 4Å; A37-W80 HydrophobicContact CB-CZ2 3.26Å; V46-W80 HydrophobicContact CB-CH2 4.44Å; V46-W80 HydrophobicContact CG1-CH2 3.75Å; V46-W80 HydrophobicContact CG2-CH2 3.88Å; W80-F95 HydrophobicContact CD2-CB 4.36Å; W80-F95 HydrophobicContact CE3-CB 3.85Å; W80-F95 HydrophobicContact CH2-CD1 4.38Å; W80-F95 HydrophobicContact CZ3-CB 4.09Å; W80-F95 AromaticContact CZ3-CD1 3.9Å; W80-F95 HydrophobicContact CZ3-CD1 3.9Å; W80-F95 HydrophobicContact CZ3-CG 4.34Å; W80-F132 VanDerWaalsContact C-CD2 3.41Å; W80-F132 WeakPolarHBondContact O-CB 3.42Å; W80-F132 WeakPolarHBondContact O-CD2 3.2Å; W80-F132 WeakPolarHBondContact O-CG 3.27Å
81S94.4Very high85.7Confident0 Ų054.4 Ų54.40%027%0.27CS..  trans-85.2143.3164.7-179.40000110.5E83 S84 R94S81-E83 PolarHBondContact O-N 2.87Å; S81-E83 PolarHBondContact OG-N 3.41Å; S81-S84 VanDerWaalsContact O-CB 3.27Å; S81-S84 WeakPolarHBondContact O-CB 3.44Å; S81-S84 PolarHBondContact O-N 2.91Å; S81-S84 PolarHBondContact O-OG 2.86Å; S81-S84 VanDerWaalsContact O-OG 3.11Å; S81-R94 WeakPolarHBondContact CB-O 3.05Å; S81-R94 PolarHBondContact N-O 3.4Å
82P89.9Confident85.9Confident19 Ų1956.1 Ų56.112%0.12328%0.279CS..THydrogen-bonded Turntrans-62.1-17172.825.2-34.5000114.4F27 S84 G137F27-P82 HydrophobicContact CD1-CB 3.71Å; F27-P82 HydrophobicContact CD2-CB 4.07Å; F27-P82 HydrophobicContact CE1-CB 3.66Å; F27-P82 HydrophobicContact CE1-CG 4.41Å; F27-P82 HydrophobicContact CE2-CB 4Å; F27-P82 HydrophobicContact CE2-CG 4.48Å; F27-P82 VanDerWaalsContact CE2-N 3.32Å; F27-P82 HydrophobicContact CG-CB 3.91Å; F27-P82 HydrophobicContact CZ-CB 3.8Å; F27-P82 HydrophobicContact CZ-CG 4.2Å; P82-S84 PolarHBondContact O-N 2.76Å; P82-G137 VanDerWaalsContact CD-CA 3.49Å; P82-G137 VanDerWaalsContact CG-N 3.29Å
83E86.5Confident86.1Confident72 Ų7249.3 Ų49.334%0.33624%0.243SC..THydrogen-bonded Turntrans-74.2-10.3173.3-71.8-172.6-150.200113.5S81 R85 R94S81-E83 PolarHBondContact O-N 2.87Å; S81-E83 PolarHBondContact OG-N 3.41Å; E83-R85 PolarHBondContact O-N 2.9Å; E83-R94 IonicContact OE1-NH1 2.85Å; E83-R94 PolarHBondContact OE1-NH1 3.21Å; E83-R94 IonicContact OE2-CZ 3.21Å; E83-R94 IonicContact OE2-NH1 3.21Å; E83-R94 PolarHBondContact OE2-NH1 3.12Å; E83-R94 IonicContact OE2-NH2 3.15Å; E83-R94 PolarHBondContact OE2-NH2 3.47Å
84S85.6Confident86.2Confident0 Ų047.8 Ų47.80%023%0.233CC..  trans-6899.3-179.2-64.20000112S81 P82 I92 R94S81-S84 VanDerWaalsContact O-CB 3.27Å; S81-S84 WeakPolarHBondContact O-CB 3.44Å; S81-S84 PolarHBondContact O-N 2.91Å; S81-S84 PolarHBondContact O-OG 2.86Å; S81-S84 VanDerWaalsContact O-OG 3.11Å; P82-S84 PolarHBondContact O-N 2.76Å; S84-I92 CarbonylContact C-O 3.45Å; S84-I92 VanDerWaalsContact CA-O 3.24Å; S84-I92 WeakPolarHBondContact CA-O 3.44Å; S84-R94 PolarHBondContact OG-N 2.98Å; S84-R94 PolarHBondContact OG-O 3.22Å
85R81.1Confident86.4Confident78 Ų7843.1 Ų43.129%0.29422%0.215SC..BIsolated β-bridgetrans-137.3137.9-173.1-65.1-178.894.7140.311.9111E83 D87 I92E83-R85 PolarHBondContact O-N 2.9Å; R85-D87 WeakPolarHBondContact CB-OD1 3.46Å; R85-D87 IonicContact NE-OD1 4Å; R85-I92 PolarHBondContact N-O 3.22Å; R85-I92 PolarHBondContact O-N 3.39Å
86L80.7Confident86.6Confident39 Ų3943.1 Ų43.120%0.20422%0.215CC..SBendtrans-101.8-14.4179.3-60.1-177.8000112.5S29 L35 T48 L66 L111S29-L86 PolarHBondContact O-N 3.11Å; L35-L86 HydrophobicContact CD1-CD1 4.13Å; T48-L86 HydrophobicContact CG2-CD1 3.63Å; L66-L86 HydrophobicContact CD1-CD1 4.11Å; L66-L86 HydrophobicContact CD1-CD2 4.25Å; L86-L111 HydrophobicContact CD2-CD1 3.58Å
87D78.4Confident86.9Confident81 Ų8140.8 Ų40.843%0.43320%0.203SC..SBendtrans-85.8-12.2-175.966.4-30.6000114.5S29 R85S29-D87 PolarHBondContact O-N 3.02Å; R85-D87 WeakPolarHBondContact CB-OD1 3.46Å; R85-D87 IonicContact NE-OD1 4Å
88R74.5Confident87Confident148 Ų14840.6 Ų40.656%0.55820%0.201SC*.SBendtrans-105.3146.9-179.3-67-175.6179.1-169.5-3.6110.8P90 T91R88-P90 CarbonylContact C-O 3.54Å; R88-P90 CarbonylContact O-C 3.6Å; R88-P90 VanDerWaalsContact O-O 3.07Å; R88-T91 VanDerWaalsContact O-CA 3.24Å; R88-T91 WeakPolarHBondContact O-CA 3.15Å; R88-T91 WeakPolarHBondContact O-CG2 3.33Å; R88-T91 PolarHBondContact O-N 3.18Å; R88-T91 VanDerWaalsContact O-N 3.07Å
89I72.3Confident86.9Confident172 Ų17240.4 Ų40.488%0.88220%0.201SC*.SBendtrans-109.4126.1172.6-59.2175.2000108
90P69.5Low86.6Confident92 Ų9241.8 Ų41.860%0.59721%0.212SC*.SBendcis-67.4147.7-3.930.6-34.7000111.7R88R88-P90 CarbonylContact C-O 3.54Å; R88-P90 CarbonylContact O-C 3.6Å; R88-P90 VanDerWaalsContact O-O 3.07Å
91T81.1Confident86.5Confident37 Ų3743.6 Ų43.623%0.22722%0.223CC..  trans-64135.7170.739.40000108.1R88 D110R88-T91 VanDerWaalsContact O-CA 3.24Å; R88-T91 WeakPolarHBondContact O-CA 3.15Å; R88-T91 WeakPolarHBondContact O-CG2 3.33Å; R88-T91 PolarHBondContact O-N 3.18Å; R88-T91 VanDerWaalsContact O-N 3.07Å; T91-D110 VanDerWaalsContact O-CA 3.32Å; T91-D110 WeakPolarHBondContact O-CA 3.27Å; T91-D110 PolarHBondContact OG1-O 2.86Å
92I83.8Confident86.5Confident56 Ų5649.1 Ų49.129%0.28724%0.243SC..BIsolated β-bridgetrans-127.5120178.3-63174.6000106.8S84 R85 T108S84-I92 CarbonylContact C-O 3.45Å; S84-I92 VanDerWaalsContact CA-O 3.24Å; S84-I92 WeakPolarHBondContact CA-O 3.44Å; R85-I92 PolarHBondContact N-O 3.22Å; R85-I92 PolarHBondContact O-N 3.39Å; I92-T108 HydrophobicContact CG2-CG2 4.29Å
93S88.4Confident86.8Confident1 Ų151.2 Ų51.21%0.00725%0.251CS..EExtended strand (participates in β ladder)trans-112.9115.6167.8-171.50000107.6S109S93-S109 PolarHBondContact N-O 2.91Å; S93-S109 PolarHBondContact O-N 2.86Å
94R92.6Very high87.2Confident27 Ų2747.8 Ų47.810%0.10224%0.235CC..EExtended strand (participates in β ladder)trans-127.4123.4178.4-172.6-177.6-57.7133.514111S81 E83 S84 L106 L107 T108S81-R94 WeakPolarHBondContact CB-O 3.05Å; S81-R94 PolarHBondContact N-O 3.4Å; E83-R94 IonicContact OE1-NH1 2.85Å; E83-R94 PolarHBondContact OE1-NH1 3.21Å; E83-R94 IonicContact OE2-CZ 3.21Å; E83-R94 IonicContact OE2-NH1 3.21Å; E83-R94 PolarHBondContact OE2-NH1 3.12Å; E83-R94 IonicContact OE2-NH2 3.15Å; E83-R94 PolarHBondContact OE2-NH2 3.47Å; S84-R94 PolarHBondContact OG-N 2.98Å; S84-R94 PolarHBondContact OG-O 3.22Å; R94-L106 HydrophobicContact CG-CD1 3.66Å; R94-L106 HydrophobicContact CG-CG 4.47Å; R94-L107 VanDerWaalsContact CA-O 3.24Å; R94-L107 WeakPolarHBondContact CA-O 3.39Å; R94-L107 WeakPolarHBondContact CG-O 3.39Å; R94-T108 PolarHBondContact NE-OG1 3.4Å
95F94.6Very high87.7Confident2 Ų249.5 Ų49.51%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-145.9158.4177.460.2-87.2000109.8V44 V46 F69 L78 A79 W80 T97 L107V44-F95 HydrophobicContact CB-CE2 4.43Å; V44-F95 HydrophobicContact CG1-CE2 3.91Å; V44-F95 HydrophobicContact CG1-CZ 4.19Å; V46-F95 HydrophobicContact CG2-CD1 4.33Å; V46-F95 HydrophobicContact CG2-CE1 3.72Å; V46-F95 HydrophobicContact CG2-CZ 4.07Å; F69-F95 HydrophobicContact CD2-CE1 4.14Å; F69-F95 AromaticContact CD2-CZ 3.65Å; F69-F95 HydrophobicContact CD2-CZ 3.65Å; F69-F95 AromaticContact CE2-CE1 3.78Å; F69-F95 HydrophobicContact CE2-CE1 3.78Å; F69-F95 AromaticContact CE2-CZ 3.79Å; F69-F95 HydrophobicContact CE2-CZ 3.79Å; F69-F95 HydrophobicContact CG-CZ 4.27Å; F69-F95 HydrophobicContact CZ-CE1 4.31Å; L78-F95 HydrophobicContact CD1-CD2 4.29Å; L78-F95 HydrophobicContact CG-CD2 4.47Å; A79-F95 CarbonylContact O-C 3.56Å; A79-F95 WeakPolarHBondContact O-CA 3.44Å; A79-F95 VanDerWaalsContact O-CB 3.26Å; A79-F95 WeakPolarHBondContact O-CB 3.42Å; W80-F95 HydrophobicContact CD2-CB 4.36Å; W80-F95 HydrophobicContact CE3-CB 3.85Å; W80-F95 HydrophobicContact CH2-CD1 4.38Å; W80-F95 HydrophobicContact CZ3-CB 4.09Å; W80-F95 AromaticContact CZ3-CD1 3.9Å; W80-F95 HydrophobicContact CZ3-CD1 3.9Å; W80-F95 HydrophobicContact CZ3-CG 4.34Å; F95-T97 HydrophobicContact CD2-CG2 3.73Å; F95-T97 HydrophobicContact CE2-CG2 3.71Å; F95-L107 HydrophobicContact CD1-CB 4.42Å; F95-L107 HydrophobicContact CD2-CB 4.36Å; F95-L107 HydrophobicContact CE1-CB 4.09Å; F95-L107 HydrophobicContact CE1-CD2 3.8Å; F95-L107 HydrophobicContact CE2-CB 4.02Å; F95-L107 HydrophobicContact CE2-CD2 4.06Å; F95-L107 HydrophobicContact CZ-CB 3.9Å; F95-L107 HydrophobicContact CZ-CD2 3.33Å; F95-L107 HydrophobicContact CZ-CG 4.22Å; F95-L107 PolarHBondContact N-O 3.48Å; F95-L107 VanDerWaalsContact N-O 3.07Å; F95-L107 PolarHBondContact O-N 3.28Å
96C96.2Very high88.4Confident0 Ų046.1 Ų46.10%023%0.229CC..EExtended strand (participates in β ladder)trans-115.6139.5176.4-172.30000109L78 A79 R105 L106 M120 L130 F132 I140L78-C96 CarbonylContact C-O 2.96Å; L78-C96 WeakPolarHBondContact CA-O 3.47Å; A79-C96 PolarHBondContact N-O 3.42Å; A79-C96 PolarHBondContact O-N 3.46Å; C96-R105 CarbonylContact C-O 3.55Å; C96-R105 VanDerWaalsContact CA-O 3.27Å; C96-R105 WeakPolarHBondContact CA-O 3.42Å; C96-R105 PolarHBondContact SG-O 3.5Å; C96-L106 HydrophobicContact CB-CD1 4.4Å; C96-M120 VanDerWaalsContact SG-CE 3.57Å; C96-L130 HydrophobicContact CB-CD1 3.53Å; C96-F132 HydrophobicContact CB-CE2 3.51Å; C96-F132 HydrophobicContact CB-CZ 3.83Å; C96-I140 HydrophobicContact CB-CD1 4Å
97T95.8Very high89.1Confident3 Ų345 Ų452%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-119.6151175.4640000110.2V44 V75 A77 L78 F95 L104 R105V44-T97 HydrophobicContact CG2-CG2 4.11Å; V75-T97 HydrophobicContact CG1-CG2 4.23Å; A77-T97 WeakPolarHBondContact O-CA 3.36Å; L78-T97 HydrophobicContact CD1-CG2 4.24Å; L78-T97 HydrophobicContact CG-CG2 4.43Å; F95-T97 HydrophobicContact CD2-CG2 3.73Å; F95-T97 HydrophobicContact CE2-CG2 3.71Å; T97-L104 CarbonylContact O-C 3.54Å; T97-L104 VanDerWaalsContact O-CA 3.32Å; T97-L104 WeakPolarHBondContact O-CA 3.27Å; T97-R105 PolarHBondContact N-O 3.06Å; T97-R105 PolarHBondContact O-N 2.75Å
98A94.8Very high89.7Confident0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-118.3141.416400000109.3D76 A77 L104 I127 L130D76-A98 PolarHBondContact N-O 3.35Å; A77-A98 HydrophobicContact CB-CB 4.21Å; A77-A98 PolarHBondContact N-O 2.91Å; A77-A98 PolarHBondContact O-N 2.72Å; A98-L104 HydrophobicContact CB-CD2 3.98Å; A98-I127 HydrophobicContact CB-CB 3.85Å; A98-I127 HydrophobicContact CB-CD1 4.11Å; A98-I127 HydrophobicContact CB-CG2 3.83Å; A98-L130 HydrophobicContact CB-CD2 3.6Å
99A92.4Very high90.5Very high3 Ų336 Ų363%0.02519%0.188CC..EExtended strand (participates in β ladder)trans-129.3174.8-17900000112H71 L73 R74 D101 R102H71-A99 WeakPolarHBondContact CE1-CB 3.37Å; L73-A99 HydrophobicContact CB-CB 4.22Å; L73-A99 HydrophobicContact CD1-CB 4.44Å; R74-A99 WeakPolarHBondContact O-CA 3.38Å; R74-A99 WeakPolarHBondContact O-CB 3.42Å; A99-D101 PolarHBondContact O-N 2.75Å; A99-R102 PolarHBondContact O-N 3.01Å
100A90Very high91.2Very high39 Ų3928.9 Ų28.932%0.32215%0.152SC..THydrogen-bonded Turntrans-58.6-18.3-176.600000114.8R74 R102R74-A100 PolarHBondContact O-N 3.31Å; A100-R102 PolarHBondContact O-N 3.41Å
101D93.3Very high91.9Very high47 Ų4725.6 Ų25.625%0.25113%0.129SC..THydrogen-bonded Turntrans-81.96.8175.570.6-22.1000114.2L73 A99 K103 R105L73-D101 HydrophobicContact CD1-CB 3.6Å; L73-D101 VanDerWaalsContact CD1-CG 3.47Å; A99-D101 PolarHBondContact O-N 2.75Å; D101-K103 PolarHBondContact O-N 2.89Å; D101-K103 PolarHBondContact OD1-N 3.44Å; D101-K103 WeakPolarHBondContact OD2-CD 3.42Å; D101-R105 IonicContact OD1-CZ 3.92Å; D101-R105 IonicContact OD1-NH1 3.59Å; D101-R105 PolarHBondContact OD1-NH1 3.39Å; D101-R105 IonicContact OD1-NH2 2.63Å; D101-R105 IonicContact OD2-CZ 3.48Å; D101-R105 IonicContact OD2-NH1 3.97Å; D101-R105 PolarHBondContact OD2-NH1 2.97Å; D101-R105 IonicContact OD2-NH2 3.7Å; D101-R105 PolarHBondContact OD2-NH2 2.62Å
102R94.9Very high92Very high115 Ų11529.5 Ų29.543%0.43414%0.144SC..SBendtrans6914.9173.8-43.9164-160.8-175.811.8113.4A99 A100 G124 S125 I127A99-R102 PolarHBondContact O-N 3.01Å; A100-R102 PolarHBondContact O-N 3.41Å; R102-G124 PolarHBondContact NH1-O 3.45Å; R102-S125 WeakPolarHBondContact CB-O 3.33Å; R102-S125 WeakPolarHBondContact CG-O 3.44Å; R102-I127 WeakPolarHBondContact O-CD1 3.42Å
103K95.5Very high91.8Very high63 Ų6333.5 Ų33.527%0.27417%0.166SC..  trans-102.1146.4177.9-58-174.7-174.6-173.30110D101 V119 E121D101-K103 PolarHBondContact O-N 2.89Å; D101-K103 PolarHBondContact OD1-N 3.44Å; D101-K103 WeakPolarHBondContact OD2-CD 3.42Å; K103-V119 HydrophobicContact CB-CG1 4.1Å; K103-V119 HydrophobicContact CD-CG1 3.63Å; K103-V119 HydrophobicContact CG-CG1 4.38Å; K103-E121 HydrophobicContact CD-CG 3.89Å; K103-E121 VanDerWaalsContact CE-OE1 3.22Å; K103-E121 WeakPolarHBondContact CE-OE1 3.35Å; K103-E121 HydrophobicContact CG-CG 4.22Å; K103-E121 IonicContact NZ-OE1 2.86Å; K103-E121 PolarHBondContact NZ-OE1 2.86Å
104L96.5Very high91.6Very high1 Ų140.4 Ų40.41%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-91145165.3-62.6159.3000108.6T97 A98 M120 I127 L130 W152T97-L104 CarbonylContact O-C 3.54Å; T97-L104 VanDerWaalsContact O-CA 3.32Å; T97-L104 WeakPolarHBondContact O-CA 3.27Å; A98-L104 HydrophobicContact CB-CD2 3.98Å; L104-M120 HydrophobicContact CB-CB 4.13Å; L104-M120 HydrophobicContact CB-CE 3.35Å; L104-M120 HydrophobicContact CD1-CE 4.04Å; L104-M120 HydrophobicContact CG-CE 4.28Å; L104-M120 PolarHBondContact N-O 3.38Å; L104-M120 VanDerWaalsContact N-O 3.15Å; L104-M120 PolarHBondContact O-N 2.97Å; L104-I127 HydrophobicContact CD1-CD1 4.43Å; L104-I127 HydrophobicContact CD2-CD1 3.77Å; L104-I127 HydrophobicContact CD2-CG2 4.29Å; L104-I127 HydrophobicContact CG-CD1 3.63Å; L104-L130 HydrophobicContact CD2-CB 4.2Å; L104-L130 HydrophobicContact CD2-CD1 4.43Å; L104-L130 HydrophobicContact CD2-CD2 3.79Å; L104-L130 HydrophobicContact CD2-CG 4.37Å; L104-W152 HydrophobicContact CD1-CD2 4.21Å; L104-W152 HydrophobicContact CD1-CG 4.27Å; L104-W152 HydrophobicContact CD1-CZ2 4.03Å
105R95.4Very high91.3Very high36 Ų3642.2 Ų42.214%0.13621%0.21CC..EExtended strand (participates in β ladder)trans-128.6113.9174.2-69.3169.4177.982.3-3.6109H71 C96 T97 D101 V117 K118 V119H71-R105 WeakPolarHBondContact NE2-CD 3.41Å; H71-R105 PolarHBondContact NE2-NE 2.77Å; H71-R105 VanDerWaalsContact NE2-NE 3.12Å; H71-R105 PolarHBondContact NE2-NH1 3.14Å; C96-R105 CarbonylContact C-O 3.55Å; C96-R105 VanDerWaalsContact CA-O 3.27Å; C96-R105 WeakPolarHBondContact CA-O 3.42Å; C96-R105 PolarHBondContact SG-O 3.5Å; T97-R105 PolarHBondContact N-O 3.06Å; T97-R105 PolarHBondContact O-N 2.75Å; D101-R105 IonicContact OD1-CZ 3.92Å; D101-R105 IonicContact OD1-NH1 3.59Å; D101-R105 PolarHBondContact OD1-NH1 3.39Å; D101-R105 IonicContact OD1-NH2 2.63Å; D101-R105 IonicContact OD2-CZ 3.48Å; D101-R105 IonicContact OD2-NH1 3.97Å; D101-R105 PolarHBondContact OD2-NH1 2.97Å; D101-R105 IonicContact OD2-NH2 3.7Å; D101-R105 PolarHBondContact OD2-NH2 2.62Å; R105-V117 HydrophobicContact CB-CG1 4.25Å; R105-V117 HydrophobicContact CG-CG1 4.42Å; R105-K118 CarbonylContact C-O 3.46Å; R105-K118 VanDerWaalsContact CA-O 3.31Å; R105-K118 WeakPolarHBondContact CA-O 3.4Å; R105-V119 HydrophobicContact CG-CG2 4.33Å
106L96.1Very high91.2Very high7 Ų748.1 Ų48.14%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-84116.9170.1179.560.7000108.3R94 C96 V117 K118 M120 F132 I140 L154R94-L106 HydrophobicContact CG-CD1 3.66Å; R94-L106 HydrophobicContact CG-CG 4.47Å; C96-L106 HydrophobicContact CB-CD1 4.4Å; L106-V117 WeakPolarHBondContact O-CA 3.31Å; L106-K118 HydrophobicContact CB-CB 4.24Å; L106-K118 PolarHBondContact N-O 2.84Å; L106-K118 PolarHBondContact O-N 2.92Å; L106-M120 HydrophobicContact CB-CE 4.24Å; L106-F132 HydrophobicContact CD1-CE1 4.13Å; L106-F132 HydrophobicContact CD1-CZ 3.57Å; L106-I140 HydrophobicContact CD1-CD1 4.04Å; L106-L154 HydrophobicContact CD2-CB 4.1Å; L106-L154 HydrophobicContact CD2-CD2 3.86Å
107L94.3Very high91Very high16 Ų1651.9 Ų51.98%0.08426%0.261CS..EExtended strand (participates in β ladder)trans-101.5127.2174.7-137.385.9000109.2F69 R94 F95 E116 V117F69-L107 HydrophobicContact CB-CD2 4.07Å; F69-L107 HydrophobicContact CD1-CD2 3.24Å; F69-L107 HydrophobicContact CD2-CD2 3.91Å; F69-L107 HydrophobicContact CE1-CD2 3.44Å; F69-L107 VanDerWaalsContact CE1-CD2 3.44Å; F69-L107 HydrophobicContact CE2-CD2 4.1Å; F69-L107 HydrophobicContact CG-CD2 3.46Å; F69-L107 VanDerWaalsContact CG-CD2 3.46Å; F69-L107 HydrophobicContact CZ-CD2 3.87Å; R94-L107 VanDerWaalsContact CA-O 3.24Å; R94-L107 WeakPolarHBondContact CA-O 3.39Å; R94-L107 WeakPolarHBondContact CG-O 3.39Å; F95-L107 HydrophobicContact CD1-CB 4.42Å; F95-L107 HydrophobicContact CD2-CB 4.36Å; F95-L107 HydrophobicContact CE1-CB 4.09Å; F95-L107 HydrophobicContact CE1-CD2 3.8Å; F95-L107 HydrophobicContact CE2-CB 4.02Å; F95-L107 HydrophobicContact CE2-CD2 4.06Å; F95-L107 HydrophobicContact CZ-CB 3.9Å; F95-L107 HydrophobicContact CZ-CD2 3.33Å; F95-L107 HydrophobicContact CZ-CG 4.22Å; F95-L107 PolarHBondContact N-O 3.48Å; F95-L107 VanDerWaalsContact N-O 3.07Å; F95-L107 PolarHBondContact O-N 3.28Å; L107-E116 WeakPolarHBondContact CA-O 3.21Å; L107-V117 HydrophobicContact CD1-CB 4.04Å; L107-V117 HydrophobicContact CD1-CG1 3.89Å; L107-V117 HydrophobicContact CD1-CG2 3.34Å; L107-V117 HydrophobicContact CG-CG2 4.33Å
108T92.6Very high91Very high36 Ų3654.6 Ų54.622%0.22127%0.272CS..EExtended strand (participates in β ladder)trans-120.4123.8167.3-58.30000108.1I92 R94 E116I92-T108 HydrophobicContact CG2-CG2 4.29Å; R94-T108 PolarHBondContact NE-OG1 3.4Å; T108-E116 PolarHBondContact N-O 2.83Å; T108-E116 PolarHBondContact O-N 3.19Å
109S90.8Very high91Very high4 Ų457.8 Ų57.83%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-139.3145.6-173.9178.80000111.7S93 L111 Q114 N115S93-S109 PolarHBondContact N-O 2.91Å; S93-S109 PolarHBondContact O-N 2.86Å; S109-L111 WeakPolarHBondContact OG-CA 3.38Å; S109-L111 PolarHBondContact OG-N 3.47Å; S109-Q114 WeakPolarHBondContact CA-O 3.23Å; S109-N115 VanDerWaalsContact CB-OD1 3.3Å; S109-N115 WeakPolarHBondContact CB-OD1 3.37Å; S109-N115 PolarHBondContact OG-OD1 2.94Å
110D86.9Confident91.2Very high22 Ų2257.8 Ų57.812%0.11829%0.291CS..  trans-83.42.1165.866.4-5.1000113.2T91 Q112 D113 Q114T91-D110 VanDerWaalsContact O-CA 3.32Å; T91-D110 WeakPolarHBondContact O-CA 3.27Å; T91-D110 PolarHBondContact OG1-O 2.86Å; D110-Q112 PolarHBondContact O-N 2.85Å; D110-Q112 WeakPolarHBondContact OD1-CA 3.19Å; D110-Q112 WeakPolarHBondContact OD1-CB 2.9Å; D110-Q112 PolarHBondContact OD1-N 3.17Å; D110-D113 PolarHBondContact OD1-N 2.83Å; D110-D113 VanDerWaalsContact OD1-N 3.09Å; D110-Q114 HydrophobicContact CB-CB 4.34Å; D110-Q114 PolarHBondContact N-O 2.91Å; D110-Q114 VanDerWaalsContact N-O 3.09Å; D110-Q114 PolarHBondContact OD1-N 2.71Å; D110-Q114 WeakPolarHBondContact OD2-CB 3.36Å; D110-Q114 WeakPolarHBondContact OD2-CG 3.4Å; D110-Q114 PolarHBondContact OD2-N 2.9Å
111L84.1Confident91.4Very high22 Ų2261.9 Ų61.912%0.11530%0.303CS..SBendtrans63.212.3-170.2-54.8176.9000114.1V46 L66 R67 F69 L86 S109V46-L111 HydrophobicContact CG1-CD2 4.23Å; L66-L111 HydrophobicContact CB-CD1 4.36Å; L66-L111 HydrophobicContact CD1-CD1 3.71Å; R67-L111 HydrophobicContact CB-CD2 4.26Å; F69-L111 HydrophobicContact CE2-CD2 4.36Å; F69-L111 HydrophobicContact CZ-CD2 4.04Å; L86-L111 HydrophobicContact CD2-CD1 3.58Å; S109-L111 WeakPolarHBondContact OG-CA 3.38Å; S109-L111 PolarHBondContact OG-N 3.47Å
112Q83Confident91.5Very high120 Ų12061.3 Ų61.356%0.56131%0.309SS*.SBendtrans-118.6-101.8177.1-58.9-178.49.500109.4R67 D110R67-Q112 VanDerWaalsContact CZ-O 3.3Å; R67-Q112 PolarHBondContact NH1-O 3.31Å; R67-Q112 PolarHBondContact NH2-O 2.82Å; D110-Q112 PolarHBondContact O-N 2.85Å; D110-Q112 WeakPolarHBondContact OD1-CA 3.19Å; D110-Q112 WeakPolarHBondContact OD1-CB 2.9Å; D110-Q112 PolarHBondContact OD1-N 3.17Å
113D79.2Confident91.6Very high140 Ų14056.5 Ų56.575%0.74929%0.292SS*.SBendtrans-111.1-22.8-171.9-65.6-34000112.4D110 N115D110-D113 PolarHBondContact OD1-N 2.83Å; D110-D113 VanDerWaalsContact OD1-N 3.09Å; D113-N115 PolarHBondContact O-N 2.85Å
114Q84.2Confident91.7Very high145 Ų14555.7 Ų55.768%0.67830%0.301SS*.  trans-87.6107.4-179.5-59.4-173.616.600109.5S109 D110S109-Q114 WeakPolarHBondContact CA-O 3.23Å; D110-Q114 HydrophobicContact CB-CB 4.34Å; D110-Q114 PolarHBondContact N-O 2.91Å; D110-Q114 VanDerWaalsContact N-O 3.09Å; D110-Q114 PolarHBondContact OD1-N 2.71Å; D110-Q114 WeakPolarHBondContact OD2-CB 3.36Å; D110-Q114 WeakPolarHBondContact OD2-CG 3.4Å; D110-Q114 PolarHBondContact OD2-N 2.9Å
115N87.8Confident91.7Very high66 Ų6657.1 Ų57.135%0.35331%0.311SS..EExtended strand (participates in β ladder)trans-129.4112.3177.8-58.9-57.4000108.8F69 S109 D113F69-N115 WeakPolarHBondContact CE1-OD1 3.39Å; S109-N115 VanDerWaalsContact CB-OD1 3.3Å; S109-N115 WeakPolarHBondContact CB-OD1 3.37Å; S109-N115 PolarHBondContact OG-OD1 2.94Å; D113-N115 PolarHBondContact O-N 2.85Å
116E91.3Very high91.7Very high126 Ų12661 Ų6159%0.58933%0.326SS*.EExtended strand (participates in β ladder)trans-106.1133173.3-171.3179.1175.600109.7L107 T108L107-E116 WeakPolarHBondContact CA-O 3.21Å; T108-E116 PolarHBondContact N-O 2.83Å; T108-E116 PolarHBondContact O-N 3.19Å
117V93.1Very high91.8Very high79 Ų7961 Ų6148%0.47933%0.326SS..EExtended strand (participates in β ladder)trans-122.9118.5176.9-1710000108.9R105 L106 L107R105-V117 HydrophobicContact CB-CG1 4.25Å; R105-V117 HydrophobicContact CG-CG1 4.42Å; L106-V117 WeakPolarHBondContact O-CA 3.31Å; L107-V117 HydrophobicContact CD1-CB 4.04Å; L107-V117 HydrophobicContact CD1-CG1 3.89Å; L107-V117 HydrophobicContact CD1-CG2 3.34Å; L107-V117 HydrophobicContact CG-CG2 4.33Å
118K94.5Very high91.9Very high60 Ų6062.5 Ų62.526%0.26133%0.334SS..EExtended strand (participates in β ladder)trans-108.7121.6174.1-160.9163-160.2170.10110.3R105 L106 L154 D155R105-K118 CarbonylContact C-O 3.46Å; R105-K118 VanDerWaalsContact CA-O 3.31Å; R105-K118 WeakPolarHBondContact CA-O 3.4Å; L106-K118 HydrophobicContact CB-CB 4.24Å; L106-K118 PolarHBondContact N-O 2.84Å; L106-K118 PolarHBondContact O-N 2.92Å; K118-L154 WeakPolarHBondContact CD-O 3.49Å; K118-D155 WeakPolarHBondContact CE-O 3.48Å; K118-D155 PolarHBondContact NZ-O 3.04Å; K118-D155 IonicContact NZ-OD1 2.65Å; K118-D155 PolarHBondContact NZ-OD1 3.01Å
119V95Very high92.1Very high67 Ų6761.8 Ų61.841%0.40633%0.328SS..EExtended strand (participates in β ladder)trans-93.8125.1-179.4-174.80000108.8K103 R105 E121K103-V119 HydrophobicContact CB-CG1 4.1Å; K103-V119 HydrophobicContact CD-CG1 3.63Å; K103-V119 HydrophobicContact CG-CG1 4.38Å; R105-V119 HydrophobicContact CG-CG2 4.33Å; V119-E121 HydrophobicContact CG1-CG 4.04Å
120M96.4Very high92.4Very high3 Ų361.7 Ų61.72%0.01533%0.328CS..EExtended strand (participates in β ladder)trans-109.8120.3176.8-45.1176.7-87.300108.7C96 L104 L106 I140 W152C96-M120 VanDerWaalsContact SG-CE 3.57Å; L104-M120 HydrophobicContact CB-CB 4.13Å; L104-M120 HydrophobicContact CB-CE 3.35Å; L104-M120 HydrophobicContact CD1-CE 4.04Å; L104-M120 HydrophobicContact CG-CE 4.28Å; L104-M120 PolarHBondContact N-O 3.38Å; L104-M120 VanDerWaalsContact N-O 3.15Å; L104-M120 PolarHBondContact O-N 2.97Å; L106-M120 HydrophobicContact CB-CE 4.24Å; M120-I140 HydrophobicContact CE-CD1 3.75Å; M120-I140 HydrophobicContact SD-CD1 4.42Å; M120-W152 HydrophobicContact CB-CD2 4.3Å; M120-W152 HydrophobicContact CB-CE3 3.85Å; M120-W152 HydrophobicContact CB-CZ3 4Å; M120-W152 HydrophobicContact SD-CB 3.71Å; M120-W152 HydrophobicContact SD-CD2 4.24Å; M120-W152 HydrophobicContact SD-CE3 4.35Å; M120-W152 HydrophobicContact SD-CG 3.98Å
121E95.6Very high92.9Very high124 Ų12461.9 Ų61.958%0.57933%0.33SS*.  trans-113.5137.1-176.1-59.2-170.317700109.9K103 V119K103-E121 HydrophobicContact CD-CG 3.89Å; K103-E121 VanDerWaalsContact CE-OE1 3.22Å; K103-E121 WeakPolarHBondContact CE-OE1 3.35Å; K103-E121 HydrophobicContact CG-CG 4.22Å; K103-E121 IonicContact NZ-OE1 2.86Å; K103-E121 PolarHBondContact NZ-OE1 2.86Å; V119-E121 HydrophobicContact CG1-CG 4.04Å
122G93.8Very high93.5Very high36 Ų3661.3 Ų61.337%0.37133%0.326SS..  trans167.2-33.3173.200000113.4G124 R150G122-G124 PolarHBondContact O-N 3.35Å; G122-R150 PolarHBondContact O-NH1 2.86Å; G122-R150 VanDerWaalsContact O-NH1 3.14Å; G122-R150 PolarHBondContact O-NH2 2.84Å
123H97.3Very high94.1Very high14 Ų1456.1 Ų56.17%0.06530%0.302CS..  trans-62.4132.7175.4-84.7-56.6000112.1I127 S142 S144 D146 T148H123-I127 HydrophobicContact CB-CD1 4.27Å; H123-I127 HydrophobicContact CB-CG1 4.07Å; H123-S142 PolarHBondContact CD2-OG 3.44Å; H123-S142 PolarHBondContact NE2-OG 2.94Å; H123-S144 WeakPolarHBondContact ND1-CB 3.28Å; H123-D146 VanDerWaalsContact CA-OD2 3.27Å; H123-D146 WeakPolarHBondContact CA-OD2 3.09Å; H123-D146 IonicContact CE1-OD1 3.51Å; H123-D146 IonicContact CE1-OD2 2.6Å; H123-D146 IonicContact CG-OD2 2.86Å; H123-D146 IonicContact ND1-OD1 3.83Å; H123-D146 PolarHBondContact ND1-OD1 3.18Å; H123-D146 IonicContact ND1-OD2 3.11Å; H123-D146 PolarHBondContact ND1-OD2 3.32Å; H123-T148 PolarHBondContact CE1-OG1 2.86Å; H123-T148 PolarHBondContact ND1-OG1 3.48Å
124G97.1Very high94.7Very high46 Ų4651 Ų5147%0.47428%0.276SS..SBendtrans-85.4-15.7-177.300000114.1R102 G122 D146R102-G124 PolarHBondContact NH1-O 3.45Å; G122-G124 PolarHBondContact O-N 3.35Å; G124-D146 PolarHBondContact N-OD2 2.84Å
125S97.4Very high94.9Very high30 Ų3047.6 Ų47.621%0.2127%0.266CS..SBendtrans-143.2-177.6-174.2-160.60000110.9R102 I127 S144 D145R102-S125 WeakPolarHBondContact CB-O 3.33Å; R102-S125 WeakPolarHBondContact CG-O 3.44Å; S125-I127 PolarHBondContact O-N 2.81Å; S125-S144 PolarHBondContact O-OG 2.86Å; S125-S144 VanDerWaalsContact O-OG 3.07Å; S125-D145 WeakPolarHBondContact OG-CB 3.48Å
126Y96.3Very high94.9Very high117 Ų11749.6 Ų49.646%0.45927%0.273SS..  trans-53.4138.3179-65.7-70000111.9S144 D145Y126-S144 CarbonylContact O-C 3.59Å; Y126-S144 WeakPolarHBondContact O-CA 3.36Å; Y126-S144 VanDerWaalsContact O-CB 3.26Å; Y126-S144 WeakPolarHBondContact O-CB 3.35Å; Y126-S144 PolarHBondContact O-OG 2.95Å; Y126-D145 PolarHBondContact O-N 2.86Å
127I97.7Very high95Very high7 Ų743.6 Ų43.64%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-91.5121175-58.8175000106.8A98 R102 L104 H123 S125 V143A98-I127 HydrophobicContact CB-CB 3.85Å; A98-I127 HydrophobicContact CB-CD1 4.11Å; A98-I127 HydrophobicContact CB-CG2 3.83Å; R102-I127 WeakPolarHBondContact O-CD1 3.42Å; L104-I127 HydrophobicContact CD1-CD1 4.43Å; L104-I127 HydrophobicContact CD2-CD1 3.77Å; L104-I127 HydrophobicContact CD2-CG2 4.29Å; L104-I127 HydrophobicContact CG-CD1 3.63Å; H123-I127 HydrophobicContact CB-CD1 4.27Å; H123-I127 HydrophobicContact CB-CG1 4.07Å; S125-I127 PolarHBondContact O-N 2.81Å; I127-V143 CarbonylContact C-O 3.59Å; I127-V143 WeakPolarHBondContact CA-O 3.21Å
128N96.1Very high95Very high48 Ų4845.2 Ų45.226%0.25725%0.245SC..EExtended strand (participates in β ladder)trans-90.8-31.1-174.3-66.8-50.7000112.4V143 D145 G168N128-V143 PolarHBondContact N-O 3.48Å; N128-D145 PolarHBondContact ND2-N 2.79Å; N128-D145 PolarHBondContact ND2-OD1 2.89Å; N128-G168 WeakPolarHBondContact CB-O 3.32Å; N128-G168 PolarHBondContact ND2-O 3.17Å
129H97.1Very high95Very high21 Ų2145.3 Ų45.310%0.09725%0.247CC..EExtended strand (participates in β ladder)trans-158152.9-179.6-159.1-119.3000111S142 V143 V171 R259H129-S142 WeakPolarHBondContact O-CA 3.42Å; H129-V143 HydrophobicContact CB-CG2 3.71Å; H129-V143 PolarHBondContact O-N 2.72Å; H129-V171 HydrophobicContact CB-CG1 4.19Å; H129-V171 PolarHBondContact CE1-O 2.82Å; H129-V171 PolarHBondContact ND1-N 2.83Å; H129-V171 PolarHBondContact ND1-O 3.47Å; H129-R259 PolarHBondContact NE2-NH2 2.75Å
130L97.3Very high95.1Very high2 Ų242.1 Ų42.11%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-147.6155.5172.169.3118.7000110.6A77 A79 C96 A98 L104 I140 A141A77-L130 HydrophobicContact CB-CD2 3.53Å; A77-L130 HydrophobicContact CB-CG 4.4Å; A79-L130 HydrophobicContact CB-CD1 3.5Å; A79-L130 VanDerWaalsContact CB-CD1 3.5Å; A79-L130 HydrophobicContact CB-CG 4.11Å; C96-L130 HydrophobicContact CB-CD1 3.53Å; A98-L130 HydrophobicContact CB-CD2 3.6Å; L104-L130 HydrophobicContact CD2-CB 4.2Å; L104-L130 HydrophobicContact CD2-CD1 4.43Å; L104-L130 HydrophobicContact CD2-CD2 3.79Å; L104-L130 HydrophobicContact CD2-CG 4.37Å; L130-I140 HydrophobicContact CD1-CG2 4.26Å; L130-A141 CarbonylContact C-O 3.52Å; L130-A141 WeakPolarHBondContact CA-O 3.36Å
131V96.9Very high95.2Very high26 Ų2642 Ų4216%0.15823%0.227CC..EExtended strand (participates in β ladder)trans-151.2150.6-178.8-70.20000110.2I140 A141 V171V131-I140 CarbonylContact O-C 3.58Å; V131-I140 WeakPolarHBondContact O-CA 3.34Å; V131-A141 HydrophobicContact CG2-CB 4.11Å; V131-A141 PolarHBondContact N-O 3.14Å; V131-A141 PolarHBondContact O-N 2.96Å; V131-V171 WeakPolarHBondContact CG1-O 3.43Å; V131-V171 HydrophobicContact CG2-CB 4.47Å; V131-V171 HydrophobicContact CG2-CG1 3.92Å; V131-V171 HydrophobicContact CG2-CG2 4.04Å
132F96.8Very high95.3Very high11 Ų1136.1 Ų36.15%0.04820%0.199CC..EExtended strand (participates in β ladder)trans-86153.6168-82-101.1000111.4A79 W80 C96 L106 I140 L154A79-F132 HydrophobicContact CB-CD2 3.92Å; A79-F132 HydrophobicContact CB-CE2 4.32Å; A79-F132 WeakPolarHBondContact O-CE2 3.27Å; W80-F132 VanDerWaalsContact C-CD2 3.41Å; W80-F132 WeakPolarHBondContact O-CB 3.42Å; W80-F132 WeakPolarHBondContact O-CD2 3.2Å; W80-F132 WeakPolarHBondContact O-CG 3.27Å; C96-F132 HydrophobicContact CB-CE2 3.51Å; C96-F132 HydrophobicContact CB-CZ 3.83Å; L106-F132 HydrophobicContact CD1-CE1 4.13Å; L106-F132 HydrophobicContact CD1-CZ 3.57Å; F132-I140 HydrophobicContact CD1-CD1 4.49Å; F132-I140 HydrophobicContact CD1-CG1 3.77Å; F132-I140 HydrophobicContact CD2-CG1 4.34Å; F132-I140 HydrophobicContact CE1-CD1 3.76Å; F132-I140 HydrophobicContact CE1-CG1 3.52Å; F132-I140 HydrophobicContact CE2-CD1 4.26Å; F132-I140 HydrophobicContact CE2-CG1 4.12Å; F132-I140 HydrophobicContact CG-CG1 4.19Å; F132-I140 HydrophobicContact CZ-CD1 3.64Å; F132-I140 HydrophobicContact CZ-CG1 3.73Å; F132-L154 HydrophobicContact CE1-CD2 3.98Å
133E95.1Very high95.6Very high11 Ų1134.4 Ų34.45%0.05118%0.182CC..  trans-59.2126.2161.5-178.5-86.312300109.4T135 E136 G137 K138 Q139 W173 V178E133-T135 PolarHBondContact O-N 3.03Å; E133-T135 VanDerWaalsContact OE1-CA 3.28Å; E133-T135 WeakPolarHBondContact OE1-CA 3.38Å; E133-T135 VanDerWaalsContact OE1-CB 3.3Å; E133-T135 WeakPolarHBondContact OE1-CB 3.39Å; E133-T135 PolarHBondContact OE1-N 3.25Å; E133-T135 PolarHBondContact OE1-OG1 3.06Å; E133-E136 PolarHBondContact OE1-N 2.53Å; E133-E136 WeakPolarHBondContact OE2-CA 3.28Å; E133-E136 WeakPolarHBondContact OE2-CB 3.3Å; E133-E136 PolarHBondContact OE2-N 2.74Å; E133-G137 VanDerWaalsContact O-CA 3.27Å; E133-G137 WeakPolarHBondContact O-CA 3.42Å; E133-G137 PolarHBondContact O-N 3.47Å; E133-G137 PolarHBondContact OE2-N 3.27Å; E133-K138 PolarHBondContact OE2-N 3.4Å; E133-Q139 HydrophobicContact CB-CB 4.21Å; E133-Q139 WeakPolarHBondContact CB-O 3.26Å; E133-Q139 PolarHBondContact N-O 3.06Å; E133-W173 HydrophobicContact CB-CD2 4.21Å; E133-W173 HydrophobicContact CB-CE3 4.09Å; E133-W173 HydrophobicContact CB-CH2 3.9Å; E133-W173 HydrophobicContact CB-CZ2 4.03Å; E133-W173 HydrophobicContact CB-CZ3 3.85Å; E133-W173 HydrophobicContact CG-CD2 4.35Å; E133-W173 HydrophobicContact CG-CE3 3.73Å; E133-W173 HydrophobicContact CG-CH2 3.68Å; E133-W173 HydrophobicContact CG-CZ2 4.31Å; E133-W173 HydrophobicContact CG-CZ3 3.27Å; E133-V178 HydrophobicContact CG-CB 4.42Å; E133-V178 HydrophobicContact CG-CG1 4.14Å; E133-V178 VanDerWaalsContact OE1-CG1 3.3Å; E133-V178 WeakPolarHBondContact OE1-CG1 3.3Å
134P91.2Very high95.6Very high32 Ų3233.7 Ų33.721%0.20818%0.178CC..THydrogen-bonded Turntrans-81.8-14.4-160.829.8-36.1000115.5F27 W173F27-P134 HydrophobicContact CE1-CB 4.36Å; F27-P134 VanDerWaalsContact CE1-O 3.3Å; F27-P134 WeakPolarHBondContact CE1-O 3.3Å; P134-W173 HydrophobicContact CG-CB 4.11Å
135T89.4Confident95.6Very high74 Ų7433.7 Ų33.745%0.45417%0.167SC..THydrogen-bonded Turntrans-96.6-57.5-175.767.70000112.5E133 V178E133-T135 PolarHBondContact O-N 3.03Å; E133-T135 VanDerWaalsContact OE1-CA 3.28Å; E133-T135 WeakPolarHBondContact OE1-CA 3.38Å; E133-T135 VanDerWaalsContact OE1-CB 3.3Å; E133-T135 WeakPolarHBondContact OE1-CB 3.39Å; E133-T135 PolarHBondContact OE1-N 3.25Å; E133-T135 PolarHBondContact OE1-OG1 3.06Å; T135-V178 HydrophobicContact CG2-CG1 3.94Å; T135-V178 WeakPolarHBondContact OG1-CG1 3.48Å
136E88.5Confident95.7Very high107 Ų10733.9 Ų33.950%0.517%0.166SC..THydrogen-bonded Turntrans-106.2-17.1-176.2-65-79.4138.900112.3E133 K138E133-E136 PolarHBondContact OE1-N 2.53Å; E133-E136 WeakPolarHBondContact OE2-CA 3.28Å; E133-E136 WeakPolarHBondContact OE2-CB 3.3Å; E133-E136 PolarHBondContact OE2-N 2.74Å; E136-K138 VanDerWaalsContact C-N 3.26Å; E136-K138 HydrophobicContact CB-CD 3.92Å; E136-K138 HydrophobicContact CB-CG 3.97Å; E136-K138 PolarHBondContact O-N 3.41Å; E136-K138 WeakPolarHBondContact OE2-CE 3.2Å; E136-K138 IonicContact OE2-NZ 2.66Å; E136-K138 PolarHBondContact OE2-NZ 3.08Å
137G91.6Very high95.8Very high0 Ų032.8 Ų32.80%017%0.165CC..  trans70.419.7-179.900000114.2P82 E133 Q139 L154P82-G137 VanDerWaalsContact CD-CA 3.49Å; P82-G137 VanDerWaalsContact CG-N 3.29Å; E133-G137 VanDerWaalsContact O-CA 3.27Å; E133-G137 WeakPolarHBondContact O-CA 3.42Å; E133-G137 PolarHBondContact O-N 3.47Å; E133-G137 PolarHBondContact OE2-N 3.27Å; G137-Q139 VanDerWaalsContact C-N 3.35Å; G137-L154 WeakPolarHBondContact O-CD2 3.18Å
138K93.4Very high95.8Very high113 Ų11333.2 Ų33.249%0.49117%0.168SC..  trans-82.2-14.1-171.8-72.9173.9-175.71510114.2E133 E136E133-K138 PolarHBondContact OE2-N 3.4Å; E136-K138 VanDerWaalsContact C-N 3.26Å; E136-K138 HydrophobicContact CB-CD 3.92Å; E136-K138 HydrophobicContact CB-CG 3.97Å; E136-K138 PolarHBondContact O-N 3.41Å; E136-K138 WeakPolarHBondContact OE2-CE 3.2Å; E136-K138 IonicContact OE2-NZ 2.66Å; E136-K138 PolarHBondContact OE2-NZ 3.08Å
139Q95.5Very high95.9Very high63 Ų6330.9 Ų30.929%0.29416%0.156SC..EExtended strand (participates in β ladder)trans-132.9152-179.5-65.6-175.85.500111.5E133 G137 W152 W173E133-Q139 HydrophobicContact CB-CB 4.21Å; E133-Q139 WeakPolarHBondContact CB-O 3.26Å; E133-Q139 PolarHBondContact N-O 3.06Å; G137-Q139 VanDerWaalsContact C-N 3.35Å; Q139-W152 CarbonylContact C-O 3.55Å; Q139-W152 WeakPolarHBondContact CA-O 3.22Å; Q139-W173 HydrophobicContact CB-CZ2 4.33Å
140I97.6Very high95.9Very high0 Ų031.8 Ų31.80%016%0.158CC..EExtended strand (participates in β ladder)trans-119.5132.4173.3-59.5163.3000107C96 L106 M120 L130 V131 F132 L151 W152 L154C96-I140 HydrophobicContact CB-CD1 4Å; L106-I140 HydrophobicContact CD1-CD1 4.04Å; M120-I140 HydrophobicContact CE-CD1 3.75Å; M120-I140 HydrophobicContact SD-CD1 4.42Å; L130-I140 HydrophobicContact CD1-CG2 4.26Å; V131-I140 CarbonylContact O-C 3.58Å; V131-I140 WeakPolarHBondContact O-CA 3.34Å; F132-I140 HydrophobicContact CD1-CD1 4.49Å; F132-I140 HydrophobicContact CD1-CG1 3.77Å; F132-I140 HydrophobicContact CD2-CG1 4.34Å; F132-I140 HydrophobicContact CE1-CD1 3.76Å; F132-I140 HydrophobicContact CE1-CG1 3.52Å; F132-I140 HydrophobicContact CE2-CD1 4.26Å; F132-I140 HydrophobicContact CE2-CG1 4.12Å; F132-I140 HydrophobicContact CG-CG1 4.19Å; F132-I140 HydrophobicContact CZ-CD1 3.64Å; F132-I140 HydrophobicContact CZ-CG1 3.73Å; I140-L151 CarbonylContact O-C 3.59Å; I140-L151 VanDerWaalsContact O-CA 3.31Å; I140-L151 WeakPolarHBondContact O-CA 3.2Å; I140-W152 HydrophobicContact CB-CB 4.39Å; I140-W152 PolarHBondContact N-O 2.88Å; I140-W152 PolarHBondContact O-N 2.79Å; I140-L154 HydrophobicContact CD1-CD2 4.36Å
141A97.9Very high95.9Very high0 Ų031.8 Ų31.80%016%0.158CC..EExtended strand (participates in β ladder)trans-106.7135.4169.200000109.5L130 V131 R150 L151 V171 L181L130-A141 CarbonylContact C-O 3.52Å; L130-A141 WeakPolarHBondContact CA-O 3.36Å; V131-A141 HydrophobicContact CG2-CB 4.11Å; V131-A141 PolarHBondContact N-O 3.14Å; V131-A141 PolarHBondContact O-N 2.96Å; A141-R150 CarbonylContact C-O 3.56Å; A141-R150 WeakPolarHBondContact CA-O 3.31Å; A141-L151 HydrophobicContact CB-CG 4.43Å; A141-V171 HydrophobicContact CB-CG2 3.87Å; A141-L181 HydrophobicContact CB-CD1 4.01Å; A141-L181 HydrophobicContact CB-CD2 4.04Å
142S98.4Very high96Very high0 Ų030.7 Ų30.70%015%0.151CC..EExtended strand (participates in β ladder)trans-131.9150.2177.959.80000111.2H123 H129 C149 R150 W152H123-S142 PolarHBondContact CD2-OG 3.44Å; H123-S142 PolarHBondContact NE2-OG 2.94Å; H129-S142 WeakPolarHBondContact O-CA 3.42Å; S142-C149 CarbonylContact O-C 3.47Å; S142-C149 WeakPolarHBondContact O-CA 3.19Å; S142-C149 PolarHBondContact O-SG 3.1Å; S142-R150 PolarHBondContact N-O 3.21Å; S142-R150 PolarHBondContact O-N 3.13Å; S142-W152 PolarHBondContact OG-NE1 3.3Å
143V98.3Very high95.9Very high0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-128.4144176.3-70.20000111.2I127 N128 H129 C149 V171 V183I127-V143 CarbonylContact C-O 3.59Å; I127-V143 WeakPolarHBondContact CA-O 3.21Å; N128-V143 PolarHBondContact N-O 3.48Å; H129-V143 HydrophobicContact CB-CG2 3.71Å; H129-V143 PolarHBondContact O-N 2.72Å; V143-C149 HydrophobicContact CG1-CB 3.69Å; V143-V171 HydrophobicContact CG1-CB 3.73Å; V143-V171 HydrophobicContact CG1-CG1 4.06Å; V143-V171 HydrophobicContact CG1-CG2 4.41Å; V143-V171 HydrophobicContact CG2-CB 4.2Å; V143-V171 HydrophobicContact CG2-CG1 3.91Å; V143-V183 HydrophobicContact CG1-CG1 3.86Å; V143-V183 HydrophobicContact CG1-CG2 4.45Å
144S98.2Very high95.9Very high0 Ų033.4 Ų33.40%017%0.166CC..EExtended strand (participates in β ladder)trans-138.2161.2-172.2173.10000113.2H123 S125 Y126 D146 H147 T148 G168H123-S144 WeakPolarHBondContact ND1-CB 3.28Å; S125-S144 PolarHBondContact O-OG 2.86Å; S125-S144 VanDerWaalsContact O-OG 3.07Å; Y126-S144 CarbonylContact O-C 3.59Å; Y126-S144 WeakPolarHBondContact O-CA 3.36Å; Y126-S144 VanDerWaalsContact O-CB 3.26Å; Y126-S144 WeakPolarHBondContact O-CB 3.35Å; Y126-S144 PolarHBondContact O-OG 2.95Å; S144-D146 VanDerWaalsContact CB-OD1 3.27Å; S144-D146 WeakPolarHBondContact CB-OD1 3.26Å; S144-D146 PolarHBondContact O-N 2.73Å; S144-D146 PolarHBondContact OG-N 2.58Å; S144-D146 VanDerWaalsContact OG-N 3.1Å; S144-D146 PolarHBondContact OG-OD1 3.18Å; S144-H147 PolarHBondContact O-N 3.33Å; S144-T148 PolarHBondContact N-O 3.07Å; S144-T148 VanDerWaalsContact N-O 3.16Å; S144-G168 PolarHBondContact O-N 2.83Å; S144-G168 VanDerWaalsContact O-N 3.09Å
145D98Very high96Very high45 Ų4536.8 Ų36.824%0.24118%0.183CC..THydrogen-bonded Turntrans-62-9.7165.6-85.4-0.5000113.6S125 Y126 N128 H147 P167S125-D145 WeakPolarHBondContact OG-CB 3.48Å; Y126-D145 PolarHBondContact O-N 2.86Å; N128-D145 PolarHBondContact ND2-N 2.79Å; N128-D145 PolarHBondContact ND2-OD1 2.89Å; D145-H147 PolarHBondContact O-CD2 3.45Å; D145-H147 PolarHBondContact O-N 3.36Å; D145-P167 WeakPolarHBondContact OD1-CB 3.45Å
146D97.9Very high96.1Very high35 Ų3534.1 Ų34.119%0.18717%0.17CC..THydrogen-bonded Turntrans-777.1173.773.14.3000114.1H123 G124 S144 T148 R150H123-D146 VanDerWaalsContact CA-OD2 3.27Å; H123-D146 WeakPolarHBondContact CA-OD2 3.09Å; H123-D146 IonicContact CE1-OD1 3.51Å; H123-D146 IonicContact CE1-OD2 2.6Å; H123-D146 IonicContact CG-OD2 2.86Å; H123-D146 IonicContact ND1-OD1 3.83Å; H123-D146 PolarHBondContact ND1-OD1 3.18Å; H123-D146 IonicContact ND1-OD2 3.11Å; H123-D146 PolarHBondContact ND1-OD2 3.32Å; G124-D146 PolarHBondContact N-OD2 2.84Å; S144-D146 VanDerWaalsContact CB-OD1 3.27Å; S144-D146 WeakPolarHBondContact CB-OD1 3.26Å; S144-D146 PolarHBondContact O-N 2.73Å; S144-D146 PolarHBondContact OG-N 2.58Å; S144-D146 VanDerWaalsContact OG-N 3.1Å; S144-D146 PolarHBondContact OG-OD1 3.18Å; D146-T148 VanDerWaalsContact C-N 3.3Å; D146-T148 PolarHBondContact O-N 3.13Å; D146-T148 WeakPolarHBondContact OD1-CA 3.39Å; D146-T148 WeakPolarHBondContact OD1-CB 3.48Å; D146-T148 PolarHBondContact OD1-N 2.58Å; D146-T148 PolarHBondContact OD1-OG1 3.16Å; D146-T148 PolarHBondContact OD2-OG1 2.86Å; D146-R150 IonicContact OD2-NH2 3.38Å
147H97.9Very high96.5Very high93 Ų9333.3 Ų33.343%0.43117%0.169SC..SBendtrans65.527.8-177.2-46.3150000113.8S144 D145 L164 P167S144-H147 PolarHBondContact O-N 3.33Å; D145-H147 PolarHBondContact O-CD2 3.45Å; D145-H147 PolarHBondContact O-N 3.36Å; H147-L164 WeakPolarHBondContact O-CA 3.33Å; H147-L164 VanDerWaalsContact O-CB 3.31Å; H147-L164 WeakPolarHBondContact O-CB 3.32Å; H147-L164 PolarHBondContact O-N 2.86Å; H147-P167 WeakPolarHBondContact CD2-CD 3.27Å; H147-P167 VanDerWaalsContact CD2-N 3.26Å; H147-P167 WeakPolarHBondContact NE2-CD 3.48Å
148T98Very high96.7Very high16 Ų1637.4 Ų37.410%0.09819%0.188CC..EExtended strand (participates in β ladder)trans-123.7146.8174.8710000112.2H123 S144 D146 R150 V161 L162H123-T148 PolarHBondContact CE1-OG1 2.86Å; H123-T148 PolarHBondContact ND1-OG1 3.48Å; S144-T148 PolarHBondContact N-O 3.07Å; S144-T148 VanDerWaalsContact N-O 3.16Å; D146-T148 VanDerWaalsContact C-N 3.3Å; D146-T148 PolarHBondContact O-N 3.13Å; D146-T148 WeakPolarHBondContact OD1-CA 3.39Å; D146-T148 WeakPolarHBondContact OD1-CB 3.48Å; D146-T148 PolarHBondContact OD1-N 2.58Å; D146-T148 PolarHBondContact OD1-OG1 3.16Å; D146-T148 PolarHBondContact OD2-OG1 2.86Å; T148-R150 PolarHBondContact OG1-NE 3.3Å; T148-V161 HydrophobicContact CG2-CG1 4.11Å; T148-L162 WeakPolarHBondContact CA-O 3.22Å
149C98.1Very high96.8Very high0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-105.9126.6155.1-178.20000107.6S142 V143 L162 L164 V183S142-C149 CarbonylContact O-C 3.47Å; S142-C149 WeakPolarHBondContact O-CA 3.19Å; S142-C149 PolarHBondContact O-SG 3.1Å; V143-C149 HydrophobicContact CG1-CB 3.69Å; C149-L162 HydrophobicContact CB-CB 4.13Å; C149-L162 HydrophobicContact CB-CD1 4.39Å; C149-L162 PolarHBondContact N-O 2.92Å; C149-L162 PolarHBondContact O-N 3.41Å; C149-L164 HydrophobicContact CB-CD1 4.38Å; C149-L164 HydrophobicContact CB-CD2 4.34Å; C149-V183 HydrophobicContact CB-CG1 4.47Å; C149-V183 HydrophobicContact CB-CG2 4.05Å
150R98.1Very high96.8Very high39 Ų3932.8 Ų32.815%0.14718%0.175CC..EExtended strand (participates in β ladder)trans-115.5142.9-178.8-66.3179.2-177.3-135.99.2109.9G122 A141 S142 D146 T148 W152 E158 A160 V161G122-R150 PolarHBondContact O-NH1 2.86Å; G122-R150 VanDerWaalsContact O-NH1 3.14Å; G122-R150 PolarHBondContact O-NH2 2.84Å; A141-R150 CarbonylContact C-O 3.56Å; A141-R150 WeakPolarHBondContact CA-O 3.31Å; S142-R150 PolarHBondContact N-O 3.21Å; S142-R150 PolarHBondContact O-N 3.13Å; D146-R150 IonicContact OD2-NH2 3.38Å; T148-R150 PolarHBondContact OG1-NE 3.3Å; R150-W152 HydrophobicContact CB-CZ2 3.76Å; R150-W152 HydrophobicContact CG-CZ2 4.28Å; R150-E158 WeakPolarHBondContact CD-OE2 3.36Å; R150-E158 IonicContact CZ-OE2 3.56Å; R150-E158 IonicContact NE-OE2 3.74Å; R150-E158 IonicContact NH1-OE2 3.26Å; R150-E158 PolarHBondContact NH1-OE2 2.83Å; R150-A160 WeakPolarHBondContact CA-O 3.25Å; R150-V161 HydrophobicContact CG-CG1 4.33Å; R150-V161 HydrophobicContact CG-CG2 4.27Å
151L97.9Very high96.7Very high3 Ų335 Ų352%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-108.8137.2170.7-70.292.2000109I140 A141 E158 T159 A160 L162 W173 L181 L195I140-L151 CarbonylContact O-C 3.59Å; I140-L151 VanDerWaalsContact O-CA 3.31Å; I140-L151 WeakPolarHBondContact O-CA 3.2Å; A141-L151 HydrophobicContact CB-CG 4.43Å; L151-E158 CarbonylContact O-C 3.54Å; L151-E158 WeakPolarHBondContact O-CA 3.2Å; L151-T159 WeakPolarHBondContact CB-OG1 3.31Å; L151-T159 PolarHBondContact O-N 3.31Å; L151-T159 PolarHBondContact O-OG1 2.9Å; L151-A160 HydrophobicContact CB-CB 4.25Å; L151-A160 HydrophobicContact CD1-CB 4.02Å; L151-A160 PolarHBondContact N-O 3.14Å; L151-L162 HydrophobicContact CD1-CD1 4.33Å; L151-L162 HydrophobicContact CD1-CG 4.41Å; L151-W173 HydrophobicContact CD2-CZ2 3.91Å; L151-L181 HydrophobicContact CD1-CD2 4.4Å; L151-L195 HydrophobicContact CD1-CD2 4.02Å; L151-L195 HydrophobicContact CD2-CD1 3.72Å; L151-L195 HydrophobicContact CD2-CD2 3.79Å; L151-L195 HydrophobicContact CD2-CG 4.35Å
152W97.7Very high96.7Very high3 Ų335.3 Ų35.31%0.01119%0.19CC..EExtended strand (participates in β ladder)trans-125.8140.3-176.1-47.485000109.2L104 M120 Q139 I140 S142 R150 N157 E158L104-W152 HydrophobicContact CD1-CD2 4.21Å; L104-W152 HydrophobicContact CD1-CG 4.27Å; L104-W152 HydrophobicContact CD1-CZ2 4.03Å; M120-W152 HydrophobicContact CB-CD2 4.3Å; M120-W152 HydrophobicContact CB-CE3 3.85Å; M120-W152 HydrophobicContact CB-CZ3 4Å; M120-W152 HydrophobicContact SD-CB 3.71Å; M120-W152 HydrophobicContact SD-CD2 4.24Å; M120-W152 HydrophobicContact SD-CE3 4.35Å; M120-W152 HydrophobicContact SD-CG 3.98Å; Q139-W152 CarbonylContact C-O 3.55Å; Q139-W152 WeakPolarHBondContact CA-O 3.22Å; I140-W152 HydrophobicContact CB-CB 4.39Å; I140-W152 PolarHBondContact N-O 2.88Å; I140-W152 PolarHBondContact O-N 2.79Å; S142-W152 PolarHBondContact OG-NE1 3.3Å; R150-W152 HydrophobicContact CB-CZ2 3.76Å; R150-W152 HydrophobicContact CG-CZ2 4.28Å; W152-N157 CarbonylContact C-O 3.47Å; W152-N157 VanDerWaalsContact CA-O 3.28Å; W152-N157 WeakPolarHBondContact CA-O 3.4Å; W152-E158 HydrophobicContact CE3-CB 4.2Å; W152-E158 HydrophobicContact CZ3-CB 4.12Å
153D95.8Very high96.6Very high37 Ų3745.9 Ų45.920%0.19823%0.23CC..EExtended strand (participates in β ladder)trans-79.6170162.165.722.7000110.5D155 G156 N157 T159D153-D155 PolarHBondContact O-N 2.94Å; D153-D155 WeakPolarHBondContact OD1-CA 3.43Å; D153-D155 VanDerWaalsContact OD1-CB 3.31Å; D153-D155 WeakPolarHBondContact OD1-CB 3.17Å; D153-D155 PolarHBondContact OD1-N 2.88Å; D153-G156 PolarHBondContact O-N 2.9Å; D153-G156 PolarHBondContact OD1-N 2.9Å; D153-N157 PolarHBondContact N-O 3.42Å; D153-N157 PolarHBondContact OD1-N 2.92Å; D153-N157 PolarHBondContact OD1-ND2 2.75Å; D153-N157 WeakPolarHBondContact OD2-CB 3.29Å; D153-N157 PolarHBondContact OD2-ND2 3.15Å; D153-T159 HydrophobicContact CB-CG2 3.82Å
154L94.3Very high96.5Very high41 Ų4146.6 Ų46.622%0.21523%0.234CC..THydrogen-bonded Turntrans-68.6-12.9174.9-57-176000112.6L106 K118 F132 G137 I140 G156L106-L154 HydrophobicContact CD2-CB 4.1Å; L106-L154 HydrophobicContact CD2-CD2 3.86Å; K118-L154 WeakPolarHBondContact CD-O 3.49Å; F132-L154 HydrophobicContact CE1-CD2 3.98Å; G137-L154 WeakPolarHBondContact O-CD2 3.18Å; I140-L154 HydrophobicContact CD1-CD2 4.36Å; L154-G156 PolarHBondContact O-N 2.87Å
155D93.4Very high96.4Very high104 Ų10456.3 Ų56.356%0.55627%0.271SS*.THydrogen-bonded Turntrans-81.74172.1-77.8-46.3000113.6K118 D153 N157K118-D155 WeakPolarHBondContact CE-O 3.48Å; K118-D155 PolarHBondContact NZ-O 3.04Å; K118-D155 IonicContact NZ-OD1 2.65Å; K118-D155 PolarHBondContact NZ-OD1 3.01Å; D153-D155 PolarHBondContact O-N 2.94Å; D153-D155 WeakPolarHBondContact OD1-CA 3.43Å; D153-D155 VanDerWaalsContact OD1-CB 3.31Å; D153-D155 WeakPolarHBondContact OD1-CB 3.17Å; D153-D155 PolarHBondContact OD1-N 2.88Å; D155-N157 VanDerWaalsContact CB-ND2 3.35Å; D155-N157 WeakPolarHBondContact CB-ND2 3.37Å; D155-N157 PolarHBondContact O-N 2.9Å
156G92.6Very high96.3Very high17 Ų1754.4 Ų54.418%0.17526%0.261CS..SBendtrans72.29.6179.400000114.1D153 L154D153-G156 PolarHBondContact O-N 2.9Å; D153-G156 PolarHBondContact OD1-N 2.9Å; L154-G156 PolarHBondContact O-N 2.87Å
157N95Very high96.3Very high91 Ų9153.8 Ų53.849%0.48726%0.258SS..  trans-82.4142.3173.3-47.4-63.9000109.7W152 D153 D155 T159W152-N157 CarbonylContact C-O 3.47Å; W152-N157 VanDerWaalsContact CA-O 3.28Å; W152-N157 WeakPolarHBondContact CA-O 3.4Å; D153-N157 PolarHBondContact N-O 3.42Å; D153-N157 PolarHBondContact OD1-N 2.92Å; D153-N157 PolarHBondContact OD1-ND2 2.75Å; D153-N157 WeakPolarHBondContact OD2-CB 3.29Å; D153-N157 PolarHBondContact OD2-ND2 3.15Å; D155-N157 VanDerWaalsContact CB-ND2 3.35Å; D155-N157 WeakPolarHBondContact CB-ND2 3.37Å; D155-N157 PolarHBondContact O-N 2.9Å; N157-T159 PolarHBondContact O-N 3.29Å
158E95.9Very high96.3Very high86 Ų8649.3 Ų49.340%0.40224%0.238SC..EExtended strand (participates in β ladder)trans-74.7117.9170.1-179176.392.700110R150 L151 W152 V161R150-E158 WeakPolarHBondContact CD-OE2 3.36Å; R150-E158 IonicContact CZ-OE2 3.56Å; R150-E158 IonicContact NE-OE2 3.74Å; R150-E158 IonicContact NH1-OE2 3.26Å; R150-E158 PolarHBondContact NH1-OE2 2.83Å; L151-E158 CarbonylContact O-C 3.54Å; L151-E158 WeakPolarHBondContact O-CA 3.2Å; W152-E158 HydrophobicContact CE3-CB 4.2Å; W152-E158 HydrophobicContact CZ3-CB 4.12Å; E158-V161 HydrophobicContact CG-CG2 3.75Å; E158-V161 WeakPolarHBondContact OE1-CG2 3.44Å; E158-V161 WeakPolarHBondContact OE2-CG2 2.77Å
159T95.5Very high96.3Very high63 Ų6349.7 Ų49.739%0.38724%0.239SC..EExtended strand (participates in β ladder)trans-93.4-29.2-179.656.80000112.4L151 D153 N157L151-T159 WeakPolarHBondContact CB-OG1 3.31Å; L151-T159 PolarHBondContact O-N 3.31Å; L151-T159 PolarHBondContact O-OG1 2.9Å; D153-T159 HydrophobicContact CB-CG2 3.82Å; N157-T159 PolarHBondContact O-N 3.29Å
160A95.6Very high96.3Very high15 Ų1549.8 Ų49.812%0.12424%0.24CC..EExtended strand (participates in β ladder)trans-158154.4175.500000112.6R150 L151R150-A160 WeakPolarHBondContact CA-O 3.25Å; L151-A160 HydrophobicContact CB-CB 4.25Å; L151-A160 HydrophobicContact CD1-CB 4.02Å; L151-A160 PolarHBondContact N-O 3.14Å
161V96.8Very high96.2Very high48 Ų4848 Ų4829%0.29123%0.233SC..EExtended strand (participates in β ladder)trans-130.9117.2174.6-1740000110.5T148 R150 E158T148-V161 HydrophobicContact CG2-CG1 4.11Å; R150-V161 HydrophobicContact CG-CG1 4.33Å; R150-V161 HydrophobicContact CG-CG2 4.27Å; E158-V161 HydrophobicContact CG-CG2 3.75Å; E158-V161 WeakPolarHBondContact OE1-CG2 3.44Å; E158-V161 WeakPolarHBondContact OE2-CG2 2.77Å
162L96.9Very high96.2Very high6 Ų648.2 Ų48.23%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-97.1118.5173.1-50.2175.4000108.9T148 C149 L151 L181 Y193 L195 Q198T148-L162 WeakPolarHBondContact CA-O 3.22Å; C149-L162 HydrophobicContact CB-CB 4.13Å; C149-L162 HydrophobicContact CB-CD1 4.39Å; C149-L162 PolarHBondContact N-O 2.92Å; C149-L162 PolarHBondContact O-N 3.41Å; L151-L162 HydrophobicContact CD1-CD1 4.33Å; L151-L162 HydrophobicContact CD1-CG 4.41Å; L162-L181 HydrophobicContact CD1-CD2 4.26Å; L162-Y193 HydrophobicContact CD1-CD1 3.97Å; L162-Y193 HydrophobicContact CD1-CD2 4.1Å; L162-Y193 HydrophobicContact CD1-CE1 4.44Å; L162-Y193 HydrophobicContact CD1-CG 3.78Å; L162-Y193 HydrophobicContact CD2-CD1 4.28Å; L162-L195 HydrophobicContact CD1-CD2 4.43Å; L162-Q198 HydrophobicContact CD2-CB 3.99Å; L162-Q198 HydrophobicContact CD2-CG 4.49Å
163R96.6Very high96.1Very high221 Ų22148.7 Ų48.783%0.83424%0.236SC*.EExtended strand (participates in β ladder)trans-82.2120.2176.6-68.3-175177.4161.50.8110.4
164L96.8Very high96.1Very high16 Ų1647.9 Ų47.98%0.08423%0.231CC..PPolyproline II helixtrans-92.3163.4-179.8-49.9179.7000110.3H147 C149 S166 V183 E185 Y193H147-L164 WeakPolarHBondContact O-CA 3.33Å; H147-L164 VanDerWaalsContact O-CB 3.31Å; H147-L164 WeakPolarHBondContact O-CB 3.32Å; H147-L164 PolarHBondContact O-N 2.86Å; C149-L164 HydrophobicContact CB-CD1 4.38Å; C149-L164 HydrophobicContact CB-CD2 4.34Å; L164-S166 VanDerWaalsContact CB-O 3.28Å; L164-S166 WeakPolarHBondContact CB-O 3.48Å; L164-V183 HydrophobicContact CD1-CG1 3.84Å; L164-V183 HydrophobicContact CD2-CG1 3.81Å; L164-E185 HydrophobicContact CB-CG 4.22Å; L164-E185 HydrophobicContact CD1-CG 4.33Å; L164-Y193 HydrophobicContact CD2-CE2 4.44Å; L164-Y193 WeakPolarHBondContact CD2-OH 3.44Å
165R95.8Very high95.7Very high204 Ų20447.4 Ų47.477%0.7723%0.23SC*.SBendtrans-93.4-7.6176.8-62.1-170.5-169.8-163.8-0.4112.4E185R165-E185 WeakPolarHBondContact CA-OE2 3.31Å; R165-E185 PolarHBondContact N-OE2 3.15Å
166S96.8Very high95.4Very high4 Ų450 Ų503%0.02824%0.24CC..SBendtrans-156.6162.1-175.7158.60000108.5L164 G168 E185 K186 K187L164-S166 VanDerWaalsContact CB-O 3.28Å; L164-S166 WeakPolarHBondContact CB-O 3.48Å; S166-G168 PolarHBondContact O-N 2.81Å; S166-E185 PolarHBondContact N-OE2 3.16Å; S166-K186 PolarHBondContact OG-N 3.44Å; S166-K187 PolarHBondContact OG-N 3.24Å
167P97.9Very high95.5Very high22 Ų2251.3 Ų51.314%0.14324%0.242CC..  trans-48132.6172.3-34.440.7000112.4D145 H147 E185 K186D145-P167 WeakPolarHBondContact OD1-CB 3.45Å; H147-P167 WeakPolarHBondContact CD2-CD 3.27Å; H147-P167 VanDerWaalsContact CD2-N 3.26Å; H147-P167 WeakPolarHBondContact NE2-CD 3.48Å; P167-E185 CarbonylContact O-C 3.5Å; P167-E185 VanDerWaalsContact O-CA 3.31Å; P167-E185 WeakPolarHBondContact O-CA 3.17Å; P167-K186 HydrophobicContact CB-CB 4.01Å; P167-K186 HydrophobicContact CB-CD 4.08Å; P167-K186 HydrophobicContact CG-CB 4.5Å; P167-K186 HydrophobicContact CG-CD 4.19Å; P167-K186 PolarHBondContact O-N 2.98Å
168G97.5Very high95.4Very high0 Ų048.8 Ų48.80%023%0.23CC..EExtended strand (participates in β ladder)trans-83.3126.3175.800000110.1N128 S144 S166N128-G168 WeakPolarHBondContact CB-O 3.32Å; N128-G168 PolarHBondContact ND2-O 3.17Å; S144-G168 PolarHBondContact O-N 2.83Å; S144-G168 VanDerWaalsContact O-N 3.09Å; S166-G168 PolarHBondContact O-N 2.81Å
169M97.1Very high95.3Very high24 Ų2450 Ų5012%0.11823%0.234CC..EExtended strand (participates in β ladder)trans-107.6-33-172.2-65.7-58.9-49.800113.1A184 K186 L212M169-A184 PolarHBondContact N-O 2.9Å; M169-K186 HydrophobicContact CG-CB 3.7Å; M169-K186 HydrophobicContact CG-CG 4.27Å; M169-K186 HydrophobicContact SD-CB 4.03Å; M169-K186 HydrophobicContact SD-CD 4.13Å; M169-K186 HydrophobicContact SD-CG 4.16Å; M169-L212 HydrophobicContact CB-CD2 3.98Å; M169-L212 HydrophobicContact CG-CD2 4.46Å; M169-L212 WeakPolarHBondContact CG-O 3.28Å
170S97.5Very high95.3Very high2 Ų250.6 Ų50.61%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-145.9150177.1-53.10000110.1V183 A184 S214 A215S170-V183 WeakPolarHBondContact O-CA 3.33Å; S170-A184 PolarHBondContact N-O 3.01Å; S170-A184 PolarHBondContact O-N 3.34Å; S170-S214 WeakPolarHBondContact OG-CA 3.16Å; S170-A215 VanDerWaalsContact CB-O 3.28Å; S170-A215 WeakPolarHBondContact CB-O 3.4Å; S170-A215 PolarHBondContact OG-N 3.47Å
171V97.9Very high95.3Very high0 Ų049.9 Ų49.90%023%0.226CC..EExtended strand (participates in β ladder)trans-140.5132.5177.354.90000108.4H129 V131 A141 V143 L181 M182 V183H129-V171 HydrophobicContact CB-CG1 4.19Å; H129-V171 PolarHBondContact CE1-O 2.82Å; H129-V171 PolarHBondContact ND1-N 2.83Å; H129-V171 PolarHBondContact ND1-O 3.47Å; V131-V171 WeakPolarHBondContact CG1-O 3.43Å; V131-V171 HydrophobicContact CG2-CB 4.47Å; V131-V171 HydrophobicContact CG2-CG1 3.92Å; V131-V171 HydrophobicContact CG2-CG2 4.04Å; A141-V171 HydrophobicContact CB-CG2 3.87Å; V143-V171 HydrophobicContact CG1-CB 3.73Å; V143-V171 HydrophobicContact CG1-CG1 4.06Å; V143-V171 HydrophobicContact CG1-CG2 4.41Å; V143-V171 HydrophobicContact CG2-CB 4.2Å; V143-V171 HydrophobicContact CG2-CG1 3.91Å; V171-L181 HydrophobicContact CG2-CD1 3.59Å; V171-L181 HydrophobicContact CG2-CD2 3.96Å; V171-L181 HydrophobicContact CG2-CG 3.85Å; V171-M182 CarbonylContact C-O 3.58Å; V171-M182 VanDerWaalsContact CA-O 3.25Å; V171-M182 WeakPolarHBondContact CA-O 3.37Å; V171-V183 HydrophobicContact CG2-CG2 4.25Å
172C96.8Very high95.4Very high8 Ų847.6 Ų47.65%0.05421%0.212CC..EExtended strand (participates in β ladder)trans-139.7132.9178.1-54.20000109.3M182 D216 W217C172-M182 HydrophobicContact CB-CE 3.9Å; C172-M182 PolarHBondContact N-O 2.89Å; C172-M182 PolarHBondContact O-N 3.39Å; C172-D216 PolarHBondContact SG-OD1 3.48Å; C172-W217 HydrophobicContact CB-CB 4.06Å
173W95.9Very high95.4Very high13 Ų1347.3 Ų47.35%0.04921%0.21CC..EExtended strand (participates in β ladder)trans-75.9149.8170.6-82.469.1000110.8E133 P134 Q139 L151 V178 L181 L195E133-W173 HydrophobicContact CB-CD2 4.21Å; E133-W173 HydrophobicContact CB-CE3 4.09Å; E133-W173 HydrophobicContact CB-CH2 3.9Å; E133-W173 HydrophobicContact CB-CZ2 4.03Å; E133-W173 HydrophobicContact CB-CZ3 3.85Å; E133-W173 HydrophobicContact CG-CD2 4.35Å; E133-W173 HydrophobicContact CG-CE3 3.73Å; E133-W173 HydrophobicContact CG-CH2 3.68Å; E133-W173 HydrophobicContact CG-CZ2 4.31Å; E133-W173 HydrophobicContact CG-CZ3 3.27Å; P134-W173 HydrophobicContact CG-CB 4.11Å; Q139-W173 HydrophobicContact CB-CZ2 4.33Å; L151-W173 HydrophobicContact CD2-CZ2 3.91Å; W173-V178 HydrophobicContact CE3-CB 4.33Å; W173-V178 WeakPolarHBondContact CH2-O 3.42Å; W173-V178 VanDerWaalsContact CZ3-C 3.46Å; W173-V178 HydrophobicContact CZ3-CB 3.77Å; W173-V178 HydrophobicContact CZ3-CG1 4.42Å; W173-V178 WeakPolarHBondContact CZ3-O 3.46Å; W173-L181 HydrophobicContact CD2-CD1 4.09Å; W173-L181 HydrophobicContact CG-CD1 3.75Å; W173-L181 VanDerWaalsContact NE1-CD1 3.35Å; W173-L195 HydrophobicContact CH2-CD1 3.41Å; W173-L195 VanDerWaalsContact CH2-CD1 3.41Å; W173-L195 HydrophobicContact CZ2-CD1 3.67Å; W173-L195 HydrophobicContact CZ3-CD1 4Å
174H94.6Very high95.5Very high20 Ų2036.8 Ų36.89%0.09317%0.171CC..  trans-68.2131.4166.7-175.6-82.3000109.1Q176 D177 K180 W217H174-Q176 PolarHBondContact ND1-N 2.77Å; H174-Q176 PolarHBondContact O-N 3.34Å; H174-Q176 VanDerWaalsContact O-N 3.12Å; H174-D177 HydrophobicContact CB-CB 4.19Å; H174-D177 WeakPolarHBondContact CB-O 3.43Å; H174-D177 VanDerWaalsContact ND1-CB 3.27Å; H174-D177 WeakPolarHBondContact ND1-CB 3.24Å; H174-D177 PolarHBondContact ND1-N 2.81Å; H174-D177 PolarHBondContact O-N 3.09Å; H174-K180 HydrophobicContact CB-CB 3.67Å; H174-K180 PolarHBondContact N-O 3.32Å; H174-W217 HydrophobicContact CB-CE3 4.4Å; H174-W217 HydrophobicContact CB-CH2 3.92Å; H174-W217 HydrophobicContact CB-CZ3 3.75Å; H174-W217 AromaticContact CD2-CH2 3.45Å; H174-W217 VanDerWaalsContact CD2-CH2 3.45Å; H174-W217 WeakPolarHBondContact CD2-CH2 3.28Å; H174-W217 AromaticContact CD2-CZ2 3.47Å; H174-W217 VanDerWaalsContact CD2-CZ2 3.47Å; H174-W217 WeakPolarHBondContact CD2-CZ2 3.45Å
175P87.3Confident95.5Very high31 Ų3136.1 Ų36.120%0.20117%0.167CC..SBendtrans-64.4-23.8-169.923.1-34.4000114.4L219 T222P175-L219 HydrophobicContact CB-CD2 4.15Å; P175-L219 HydrophobicContact CG-CD2 4.28Å; P175-T222 HydrophobicContact CG-CG2 3.44Å; P175-T222 VanDerWaalsContact CG-CG2 3.44Å
176Q87.7Confident95.5Very high160 Ų16030.3 Ų30.375%0.74815%0.147SC*.SBendtrans-121.8-6.5-175.6-59.9174.84.400113.7H174H174-Q176 PolarHBondContact ND1-N 2.77Å; H174-Q176 PolarHBondContact O-N 3.34Å; H174-Q176 VanDerWaalsContact O-N 3.12Å
177D92.6Very high95.4Very high44 Ų4437.6 Ų37.624%0.23518%0.178CC..  trans-13294.6-173.2-173.3-13.4000108.3H174 F179 K180H174-D177 HydrophobicContact CB-CB 4.19Å; H174-D177 WeakPolarHBondContact CB-O 3.43Å; H174-D177 VanDerWaalsContact ND1-CB 3.27Å; H174-D177 WeakPolarHBondContact ND1-CB 3.24Å; H174-D177 PolarHBondContact ND1-N 2.81Å; H174-D177 PolarHBondContact O-N 3.09Å; D177-F179 PolarHBondContact O-N 3.35Å; D177-F179 PolarHBondContact OD1-N 3.43Å; D177-F179 VanDerWaalsContact OD1-N 3.08Å; D177-K180 HydrophobicContact CB-CB 4.48Å; D177-K180 HydrophobicContact CB-CD 4.28Å; D177-K180 HydrophobicContact CB-CG 4.48Å; D177-K180 PolarHBondContact O-N 2.92Å; D177-K180 VanDerWaalsContact OD2-CD 3.32Å; D177-K180 WeakPolarHBondContact OD2-CD 3.31Å; D177-K180 WeakPolarHBondContact OD2-CE 3.42Å; D177-K180 IonicContact OD2-NZ 3.53Å; D177-K180 PolarHBondContact OD2-NZ 2.84Å
178V93.1Very high95.2Very high38 Ų3836.5 Ų36.523%0.2317%0.172CC..THydrogen-bonded Turntrans-65-3.9-177.1-61.80000113.3E133 T135 W173E133-V178 HydrophobicContact CG-CB 4.42Å; E133-V178 HydrophobicContact CG-CG1 4.14Å; E133-V178 VanDerWaalsContact OE1-CG1 3.3Å; E133-V178 WeakPolarHBondContact OE1-CG1 3.3Å; T135-V178 HydrophobicContact CG2-CG1 3.94Å; T135-V178 WeakPolarHBondContact OG1-CG1 3.48Å; W173-V178 HydrophobicContact CE3-CB 4.33Å; W173-V178 WeakPolarHBondContact CH2-O 3.42Å; W173-V178 VanDerWaalsContact CZ3-C 3.46Å; W173-V178 HydrophobicContact CZ3-CB 3.77Å; W173-V178 HydrophobicContact CZ3-CG1 4.42Å; W173-V178 WeakPolarHBondContact CZ3-O 3.46Å
179F93.8Very high95.1Very high110 Ų11038 Ų3848%0.48218%0.181SC..THydrogen-bonded Turntrans-100.61.2175-58.5-68.4000112.6D177 D194 L195 V196D177-F179 PolarHBondContact O-N 3.35Å; D177-F179 PolarHBondContact OD1-N 3.43Å; D177-F179 VanDerWaalsContact OD1-N 3.08Å; F179-D194 CarbonylContact O-C 3.58Å; F179-D194 WeakPolarHBondContact O-CA 3.49Å; F179-L195 PolarHBondContact O-N 2.8Å; F179-V196 HydrophobicContact CB-CG2 4.1Å; F179-V196 HydrophobicContact CD1-CG2 3.5Å; F179-V196 HydrophobicContact CE1-CG2 4.07Å; F179-V196 HydrophobicContact CG-CG2 3.8Å
180K95.5Very high95.1Very high77 Ų7736.9 Ų36.934%0.33518%0.175SC..EExtended strand (participates in β ladder)trans-111.6125.5179.2-72.5179.7-176.4132.90112.1H174 D177 Y193 I201H174-K180 HydrophobicContact CB-CB 3.67Å; H174-K180 PolarHBondContact N-O 3.32Å; D177-K180 HydrophobicContact CB-CB 4.48Å; D177-K180 HydrophobicContact CB-CD 4.28Å; D177-K180 HydrophobicContact CB-CG 4.48Å; D177-K180 PolarHBondContact O-N 2.92Å; D177-K180 VanDerWaalsContact OD2-CD 3.32Å; D177-K180 WeakPolarHBondContact OD2-CD 3.31Å; D177-K180 WeakPolarHBondContact OD2-CE 3.42Å; D177-K180 IonicContact OD2-NZ 3.53Å; D177-K180 PolarHBondContact OD2-NZ 2.84Å; K180-Y193 WeakPolarHBondContact CA-O 3.35Å; K180-I201 HydrophobicContact CG-CD1 4.45Å
181L97.3Very high95Very high0 Ų038.1 Ų38.10%018%0.179CC..EExtended strand (participates in β ladder)trans-125.6125.9178.5-168.869.8000110.9A141 L151 L162 V171 W173 V183 F192 Y193 L195A141-L181 HydrophobicContact CB-CD1 4.01Å; A141-L181 HydrophobicContact CB-CD2 4.04Å; L151-L181 HydrophobicContact CD1-CD2 4.4Å; L162-L181 HydrophobicContact CD1-CD2 4.26Å; V171-L181 HydrophobicContact CG2-CD1 3.59Å; V171-L181 HydrophobicContact CG2-CD2 3.96Å; V171-L181 HydrophobicContact CG2-CG 3.85Å; W173-L181 HydrophobicContact CD2-CD1 4.09Å; W173-L181 HydrophobicContact CG-CD1 3.75Å; W173-L181 VanDerWaalsContact NE1-CD1 3.35Å; L181-V183 HydrophobicContact CD2-CG2 4.13Å; L181-V183 HydrophobicContact CG-CG2 4.29Å; L181-F192 CarbonylContact O-C 3.52Å; L181-F192 WeakPolarHBondContact O-CA 3.01Å; L181-Y193 PolarHBondContact N-O 3.27Å; L181-Y193 PolarHBondContact O-N 2.82Å; L181-L195 HydrophobicContact CB-CD1 4.36Å; L181-L195 HydrophobicContact CB-CD2 3.93Å; L181-L195 HydrophobicContact CB-CG 4.23Å; L181-L195 HydrophobicContact CD2-CD2 4.11Å
182M97.7Very high95Very high0 Ų038.6 Ų38.60%018%0.182CC..EExtended strand (participates in β ladder)trans-89.5131.8169.2-174.1-171.677.200109.6V171 C172 I190 R191 F192 A215 W217 V225V171-M182 CarbonylContact C-O 3.58Å; V171-M182 VanDerWaalsContact CA-O 3.25Å; V171-M182 WeakPolarHBondContact CA-O 3.37Å; C172-M182 HydrophobicContact CB-CE 3.9Å; C172-M182 PolarHBondContact N-O 2.89Å; C172-M182 PolarHBondContact O-N 3.39Å; M182-I190 HydrophobicContact CG-CG2 3.52Å; M182-I190 HydrophobicContact SD-CG2 3.77Å; M182-R191 CarbonylContact C-O 3.54Å; M182-R191 WeakPolarHBondContact CA-O 3.4Å; M182-F192 HydrophobicContact CB-CD1 3.95Å; M182-F192 HydrophobicContact CB-CE1 3.71Å; M182-F192 HydrophobicContact CB-CZ 4.44Å; M182-F192 HydrophobicContact CG-CD1 4.13Å; M182-F192 HydrophobicContact CG-CE1 3.6Å; M182-F192 HydrophobicContact CG-CZ 3.82Å; M182-F192 HydrophobicContact SD-CE1 3.96Å; M182-F192 HydrophobicContact SD-CZ 3.92Å; M182-A215 HydrophobicContact CE-CB 4.27Å; M182-W217 HydrophobicContact CB-CE3 3.63Å; M182-W217 HydrophobicContact CB-CZ3 3.9Å; M182-W217 HydrophobicContact CE-CB 4.23Å; M182-W217 HydrophobicContact SD-CB 4.18Å; M182-W217 HydrophobicContact SD-CG 4.49Å; M182-V225 HydrophobicContact SD-CG1 3.73Å; M182-V225 HydrophobicContact SD-CG2 4.26Å
183V98.3Very high95Very high0 Ų038.9 Ų38.90%018%0.182CC..EExtended strand (participates in β ladder)trans-128.4124.6172.2177.70000109.2V143 C149 L164 S170 V171 L181 I190 R191 Y193V143-V183 HydrophobicContact CG1-CG1 3.86Å; V143-V183 HydrophobicContact CG1-CG2 4.45Å; C149-V183 HydrophobicContact CB-CG1 4.47Å; C149-V183 HydrophobicContact CB-CG2 4.05Å; L164-V183 HydrophobicContact CD1-CG1 3.84Å; L164-V183 HydrophobicContact CD2-CG1 3.81Å; S170-V183 WeakPolarHBondContact O-CA 3.33Å; V171-V183 HydrophobicContact CG2-CG2 4.25Å; L181-V183 HydrophobicContact CD2-CG2 4.13Å; L181-V183 HydrophobicContact CG-CG2 4.29Å; V183-I190 CarbonylContact O-C 3.59Å; V183-I190 WeakPolarHBondContact O-CA 3.34Å; V183-R191 PolarHBondContact N-O 3.26Å; V183-R191 PolarHBondContact O-N 2.87Å; V183-Y193 HydrophobicContact CB-CD2 4.29Å; V183-Y193 HydrophobicContact CB-CE2 3.91Å; V183-Y193 HydrophobicContact CG2-CD2 4.02Å; V183-Y193 HydrophobicContact CG2-CE2 4.02Å
184A97.7Very high95Very high0 Ų040 Ų400%019%0.189CC..EExtended strand (participates in β ladder)trans-102.5127.8176.800000110.8M169 S170 I190 L212 A215M169-A184 PolarHBondContact N-O 2.9Å; S170-A184 PolarHBondContact N-O 3.01Å; S170-A184 PolarHBondContact O-N 3.34Å; A184-I190 HydrophobicContact CB-CG1 3.92Å; A184-I190 HydrophobicContact CB-CG2 4.43Å; A184-L212 HydrophobicContact CB-CD1 4.19Å; A184-L212 HydrophobicContact CB-CD2 3.69Å; A184-A215 HydrophobicContact CB-CB 3.57Å
185E97.3Very high95Very high1 Ų140.2 Ų40.21%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-104.6145.3-177.6-66.9174.3-124.400111.5L164 R165 S166 P167 K187 G188 T189 R191L164-E185 HydrophobicContact CB-CG 4.22Å; L164-E185 HydrophobicContact CD1-CG 4.33Å; R165-E185 WeakPolarHBondContact CA-OE2 3.31Å; R165-E185 PolarHBondContact N-OE2 3.15Å; S166-E185 PolarHBondContact N-OE2 3.16Å; P167-E185 CarbonylContact O-C 3.5Å; P167-E185 VanDerWaalsContact O-CA 3.31Å; P167-E185 WeakPolarHBondContact O-CA 3.17Å; E185-K187 PolarHBondContact O-N 2.96Å; E185-G188 PolarHBondContact O-N 3.46Å; E185-T189 WeakPolarHBondContact CB-O 3.46Å; E185-T189 PolarHBondContact N-O 3.02Å; E185-R191 IonicContact OE1-CZ 2.81Å; E185-R191 IonicContact OE1-NE 3.75Å; E185-R191 IonicContact OE1-NH1 2.62Å; E185-R191 PolarHBondContact OE1-NH1 2.81Å; E185-R191 IonicContact OE1-NH2 3.11Å; E185-R191 IonicContact OE2-NH1 3.4Å; E185-R191 IonicContact OE2-NH2 2.81Å
186K96Very high95.2Very high83 Ų8343.7 Ų43.736%0.36121%0.211SC..THydrogen-bonded Turntrans-54.1-29.7-176.8-169.1172.7-173.21670114.7S166 P167 M169 G188 P211 L212S166-K186 PolarHBondContact OG-N 3.44Å; P167-K186 HydrophobicContact CB-CB 4.01Å; P167-K186 HydrophobicContact CB-CD 4.08Å; P167-K186 HydrophobicContact CG-CB 4.5Å; P167-K186 HydrophobicContact CG-CD 4.19Å; P167-K186 PolarHBondContact O-N 2.98Å; M169-K186 HydrophobicContact CG-CB 3.7Å; M169-K186 HydrophobicContact CG-CG 4.27Å; M169-K186 HydrophobicContact SD-CB 4.03Å; M169-K186 HydrophobicContact SD-CD 4.13Å; M169-K186 HydrophobicContact SD-CG 4.16Å; K186-G188 PolarHBondContact O-N 3.34Å; K186-P211 HydrophobicContact CG-CB 4.09Å; K186-P211 CarbonylContact O-C 3.37Å; K186-P211 VanDerWaalsContact O-CA 3.29Å; K186-P211 WeakPolarHBondContact O-CA 3.27Å; K186-L212 PolarHBondContact O-N 3.06Å
187K94.6Very high95.5Very high156 Ų15639.8 Ų39.868%0.67820%0.198SC*.THydrogen-bonded Turntrans-75.45.4175.8-78.6-169.6175.6-178.70114.8S166 E185S166-K187 PolarHBondContact OG-N 3.24Å; E185-K187 PolarHBondContact O-N 2.96Å
188G92.9Very high95.5Very high0 Ų042.4 Ų42.40%021%0.209CC..SBendtrans95.40.2175.700000114.7E185 K186 C206E185-G188 PolarHBondContact O-N 3.46Å; K186-G188 PolarHBondContact O-N 3.34Å; G188-C206 VanDerWaalsContact O-CB 3.31Å; G188-C206 WeakPolarHBondContact O-CB 3.47Å; G188-C206 PolarHBondContact O-N 2.85Å; G188-C206 PolarHBondContact O-SG 2.97Å; G188-C206 VanDerWaalsContact O-SG 3.39Å
189T95.4Very high95.4Very high31 Ų3147.1 Ų47.119%0.1923%0.228CC..EExtended strand (participates in β ladder)trans-88.8127.6175.5-47.10000110.5E185 R191 L204E185-T189 WeakPolarHBondContact CB-O 3.46Å; E185-T189 PolarHBondContact N-O 3.02Å; T189-R191 HydrophobicContact CG2-CG 3.92Å; T189-L204 WeakPolarHBondContact CA-O 3.28Å
190I96.9Very high95.4Very high0 Ų044.3 Ų44.30%023%0.226CC..EExtended strand (participates in β ladder)trans-107128.4167.7-54.8174.9000107.3M182 V183 A184 F192 S203 L204 L212 A215 V225 A227M182-I190 HydrophobicContact CG-CG2 3.52Å; M182-I190 HydrophobicContact SD-CG2 3.77Å; V183-I190 CarbonylContact O-C 3.59Å; V183-I190 WeakPolarHBondContact O-CA 3.34Å; A184-I190 HydrophobicContact CB-CG1 3.92Å; A184-I190 HydrophobicContact CB-CG2 4.43Å; I190-F192 HydrophobicContact CG2-CE2 4.3Å; I190-F192 HydrophobicContact CG2-CZ 4.39Å; I190-S203 CarbonylContact O-C 3.6Å; I190-S203 WeakPolarHBondContact O-CA 3.38Å; I190-L204 HydrophobicContact CB-CB 4.26Å; I190-L204 PolarHBondContact N-O 3.05Å; I190-L204 PolarHBondContact O-N 2.84Å; I190-L212 HydrophobicContact CD1-CD1 4.03Å; I190-L212 HydrophobicContact CG1-CD1 3.76Å; I190-A215 HydrophobicContact CD1-CB 3.93Å; I190-V225 HydrophobicContact CD1-CG1 4.08Å; I190-A227 HydrophobicContact CD1-CB 4Å
191R96.7Very high95.4Very high28 Ų2845.6 Ų45.611%0.10624%0.235CC..EExtended strand (participates in β ladder)trans-120.2144.1178.5-67.2-168.2-17211026.5111.2M182 V183 E185 T189 Y193 A200 L202M182-R191 CarbonylContact C-O 3.54Å; M182-R191 WeakPolarHBondContact CA-O 3.4Å; V183-R191 PolarHBondContact N-O 3.26Å; V183-R191 PolarHBondContact O-N 2.87Å; E185-R191 IonicContact OE1-CZ 2.81Å; E185-R191 IonicContact OE1-NE 3.75Å; E185-R191 IonicContact OE1-NH1 2.62Å; E185-R191 PolarHBondContact OE1-NH1 2.81Å; E185-R191 IonicContact OE1-NH2 3.11Å; E185-R191 IonicContact OE2-NH1 3.4Å; E185-R191 IonicContact OE2-NH2 2.81Å; T189-R191 HydrophobicContact CG2-CG 3.92Å; R191-Y193 HydrophobicContact CB-CD2 4.2Å; R191-Y193 HydrophobicContact CB-CE2 3.53Å; R191-Y193 WeakPolarHBondContact CD-OH 3.25Å; R191-A200 HydrophobicContact CB-CB 4.47Å; R191-L202 WeakPolarHBondContact CA-O 3.48Å
192F96.6Very high95.3Very high11 Ų1147.8 Ų47.85%0.04825%0.246CC..EExtended strand (participates in β ladder)trans-105.6124.4170.9-62-91000108.1L181 M182 I190 A200 I201 L202 L204 W217 V225 I238L181-F192 CarbonylContact O-C 3.52Å; L181-F192 WeakPolarHBondContact O-CA 3.01Å; M182-F192 HydrophobicContact CB-CD1 3.95Å; M182-F192 HydrophobicContact CB-CE1 3.71Å; M182-F192 HydrophobicContact CB-CZ 4.44Å; M182-F192 HydrophobicContact CG-CD1 4.13Å; M182-F192 HydrophobicContact CG-CE1 3.6Å; M182-F192 HydrophobicContact CG-CZ 3.82Å; M182-F192 HydrophobicContact SD-CE1 3.96Å; M182-F192 HydrophobicContact SD-CZ 3.92Å; I190-F192 HydrophobicContact CG2-CE2 4.3Å; I190-F192 HydrophobicContact CG2-CZ 4.39Å; F192-A200 CarbonylContact O-C 3.45Å; F192-A200 VanDerWaalsContact O-CA 3.3Å; F192-A200 WeakPolarHBondContact O-CA 3.33Å; F192-I201 PolarHBondContact O-N 2.82Å; F192-L202 HydrophobicContact CB-CB 4.21Å; F192-L202 HydrophobicContact CD2-CB 3.9Å; F192-L202 HydrophobicContact CD2-CD2 3.85Å; F192-L202 HydrophobicContact CD2-CG 4.01Å; F192-L202 HydrophobicContact CE2-CD2 4.12Å; F192-L202 HydrophobicContact CG-CB 4.41Å; F192-L202 PolarHBondContact N-O 2.76Å; F192-L204 HydrophobicContact CE2-CD1 3.81Å; F192-L204 HydrophobicContact CE2-CG 3.99Å; F192-L204 HydrophobicContact CZ-CD1 4.23Å; F192-W217 HydrophobicContact CD1-CE3 4.32Å; F192-W217 AromaticContact CD1-CH2 3.37Å; F192-W217 HydrophobicContact CD1-CH2 3.37Å; F192-W217 AromaticContact CD1-CZ2 3.97Å; F192-W217 HydrophobicContact CD1-CZ2 3.97Å; F192-W217 AromaticContact CD1-CZ3 3.59Å; F192-W217 HydrophobicContact CD1-CZ3 3.59Å; F192-W217 HydrophobicContact CE1-CD2 4.03Å; F192-W217 AromaticContact CE1-CE2 3.89Å; F192-W217 AromaticContact CE1-CE3 3.88Å; F192-W217 HydrophobicContact CE1-CE3 3.88Å; F192-W217 AromaticContact CE1-CH2 3.41Å; F192-W217 HydrophobicContact CE1-CH2 3.41Å; F192-W217 VanDerWaalsContact CE1-CH2 3.41Å; F192-W217 AromaticContact CE1-CZ2 3.59Å; F192-W217 HydrophobicContact CE1-CZ2 3.59Å; F192-W217 AromaticContact CE1-CZ3 3.58Å; F192-W217 HydrophobicContact CE1-CZ3 3.58Å; F192-V225 HydrophobicContact CE1-CG2 4.42Å; F192-V225 HydrophobicContact CZ-CG2 3.77Å; F192-I238 HydrophobicContact CE1-CD1 4.09Å; F192-I238 HydrophobicContact CZ-CD1 3.91Å; F192-I238 HydrophobicContact CZ-CG1 4.17Å
193Y97Very high95.1Very high13 Ų1351 Ų515%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-106.7141-179.9-67.2-93.2000110.2L162 L164 K180 L181 V183 R191 Q199 A200L162-Y193 HydrophobicContact CD1-CD1 3.97Å; L162-Y193 HydrophobicContact CD1-CD2 4.1Å; L162-Y193 HydrophobicContact CD1-CE1 4.44Å; L162-Y193 HydrophobicContact CD1-CG 3.78Å; L162-Y193 HydrophobicContact CD2-CD1 4.28Å; L164-Y193 HydrophobicContact CD2-CE2 4.44Å; L164-Y193 WeakPolarHBondContact CD2-OH 3.44Å; K180-Y193 WeakPolarHBondContact CA-O 3.35Å; L181-Y193 PolarHBondContact N-O 3.27Å; L181-Y193 PolarHBondContact O-N 2.82Å; V183-Y193 HydrophobicContact CB-CD2 4.29Å; V183-Y193 HydrophobicContact CB-CE2 3.91Å; V183-Y193 HydrophobicContact CG2-CD2 4.02Å; V183-Y193 HydrophobicContact CG2-CE2 4.02Å; R191-Y193 HydrophobicContact CB-CD2 4.2Å; R191-Y193 HydrophobicContact CB-CE2 3.53Å; R191-Y193 WeakPolarHBondContact CD-OH 3.25Å; Y193-Q199 WeakPolarHBondContact CA-O 3.11Å; Y193-A200 HydrophobicContact CD1-CB 4.17Å; Y193-A200 HydrophobicContact CE1-CB 3.95Å
194D96.1Very high95Very high38 Ų3851 Ų5120%0.20327%0.269CS..EExtended strand (participates in β ladder)trans-88.3120.8160.1170.87.9000107.5F179 V196 T197 Q198 Q199 I201F179-D194 CarbonylContact O-C 3.58Å; F179-D194 WeakPolarHBondContact O-CA 3.49Å; D194-V196 VanDerWaalsContact C-N 3.31Å; D194-V196 WeakPolarHBondContact OD1-CB 3.3Å; D194-V196 PolarHBondContact OD1-N 2.96Å; D194-T197 WeakPolarHBondContact CB-OG1 3.34Å; D194-T197 VanDerWaalsContact CG-OG1 3.22Å; D194-T197 VanDerWaalsContact OD2-CG2 3.32Å; D194-T197 WeakPolarHBondContact OD2-CG2 3.38Å; D194-T197 PolarHBondContact OD2-OG1 2.83Å; D194-Q198 WeakPolarHBondContact O-CA 3.33Å; D194-Q198 PolarHBondContact O-N 2.97Å; D194-Q199 PolarHBondContact N-O 3.37Å; D194-Q199 PolarHBondContact O-N 2.83Å; D194-I201 HydrophobicContact CB-CD1 3.59Å; D194-I201 HydrophobicContact CB-CG1 3.72Å
195L93.9Very high94.8Very high24 Ų2455 Ų5513%0.12629%0.29CS..THydrogen-bonded Turntrans-75.2-19.2-178-62.4-179.8000112.9L151 L162 W173 F179 L181L151-L195 HydrophobicContact CD1-CD2 4.02Å; L151-L195 HydrophobicContact CD2-CD1 3.72Å; L151-L195 HydrophobicContact CD2-CD2 3.79Å; L151-L195 HydrophobicContact CD2-CG 4.35Å; L162-L195 HydrophobicContact CD1-CD2 4.43Å; W173-L195 HydrophobicContact CH2-CD1 3.41Å; W173-L195 VanDerWaalsContact CH2-CD1 3.41Å; W173-L195 HydrophobicContact CZ2-CD1 3.67Å; W173-L195 HydrophobicContact CZ3-CD1 4Å; F179-L195 PolarHBondContact O-N 2.8Å; L181-L195 HydrophobicContact CB-CD1 4.36Å; L181-L195 HydrophobicContact CB-CD2 3.93Å; L181-L195 HydrophobicContact CB-CG 4.23Å; L181-L195 HydrophobicContact CD2-CD2 4.11Å
196V93.2Very high94.4Very high104 Ų10455.2 Ų55.263%0.6329%0.292SS*.THydrogen-bonded Turntrans-73-49.3174.3-177.70000109.9F179 D194F179-V196 HydrophobicContact CB-CG2 4.1Å; F179-V196 HydrophobicContact CD1-CG2 3.5Å; F179-V196 HydrophobicContact CE1-CG2 4.07Å; F179-V196 HydrophobicContact CG-CG2 3.8Å; D194-V196 VanDerWaalsContact C-N 3.31Å; D194-V196 WeakPolarHBondContact OD1-CB 3.3Å; D194-V196 PolarHBondContact OD1-N 2.96Å
197T93.5Very high93.7Very high77 Ų7752.4 Ų52.447%0.47229%0.286SS..THydrogen-bonded Turntrans-87.1-14.6179.957.60000113.3D194 Q199D194-T197 WeakPolarHBondContact CB-OG1 3.34Å; D194-T197 VanDerWaalsContact CG-OG1 3.22Å; D194-T197 VanDerWaalsContact OD2-CG2 3.32Å; D194-T197 WeakPolarHBondContact OD2-CG2 3.38Å; D194-T197 PolarHBondContact OD2-OG1 2.83Å; T197-Q199 PolarHBondContact O-N 2.99Å
198Q91.8Very high92.8Very high99 Ų9953.7 Ų53.746%0.46329%0.294SS..THydrogen-bonded Turntrans55.529.1-172.7-57.3-177.56.600113.3L162 D194L162-Q198 HydrophobicContact CD2-CB 3.99Å; L162-Q198 HydrophobicContact CD2-CG 4.49Å; D194-Q198 WeakPolarHBondContact O-CA 3.33Å; D194-Q198 PolarHBondContact O-N 2.97Å
199Q91.6Very high91.9Very high137 Ų13756.2 Ų56.264%0.6431%0.312SS*.EExtended strand (participates in β ladder)trans-115.8151.2-178-71.2-176500111.7Y193 D194 T197 I201Y193-Q199 WeakPolarHBondContact CA-O 3.11Å; D194-Q199 PolarHBondContact N-O 3.37Å; D194-Q199 PolarHBondContact O-N 2.83Å; T197-Q199 PolarHBondContact O-N 2.99Å; Q199-I201 PolarHBondContact O-N 3.5Å
200A94.3Very high91.5Very high52 Ų5256.1 Ų56.143%0.4332%0.317SS..EExtended strand (participates in β ladder)trans-74.4121.4173.400000109.9R191 F192 Y193R191-A200 HydrophobicContact CB-CB 4.47Å; F192-A200 CarbonylContact O-C 3.45Å; F192-A200 VanDerWaalsContact O-CA 3.3Å; F192-A200 WeakPolarHBondContact O-CA 3.33Å; Y193-A200 HydrophobicContact CD1-CB 4.17Å; Y193-A200 HydrophobicContact CE1-CB 3.95Å
201I94.9Very high91.3Very high103 Ų10358.3 Ų58.353%0.52833%0.331SS..EExtended strand (participates in β ladder)trans-85.4-38.9178.4-41171000110.5K180 F192 D194 Q199K180-I201 HydrophobicContact CG-CD1 4.45Å; F192-I201 PolarHBondContact O-N 2.82Å; D194-I201 HydrophobicContact CB-CD1 3.59Å; D194-I201 HydrophobicContact CB-CG1 3.72Å; Q199-I201 PolarHBondContact O-N 3.5Å
202L94.3Very high91.2Very high46 Ų4657 Ų5724%0.24133%0.326CS..EExtended strand (participates in β ladder)trans-144.9149.9-174.4179.367.1000110.4R191 F192 L204 I238R191-L202 WeakPolarHBondContact CA-O 3.48Å; F192-L202 HydrophobicContact CB-CB 4.21Å; F192-L202 HydrophobicContact CD2-CB 3.9Å; F192-L202 HydrophobicContact CD2-CD2 3.85Å; F192-L202 HydrophobicContact CD2-CG 4.01Å; F192-L202 HydrophobicContact CE2-CD2 4.12Å; F192-L202 HydrophobicContact CG-CB 4.41Å; F192-L202 PolarHBondContact N-O 2.76Å; L202-L204 HydrophobicContact CD2-CD2 4.33Å; L202-I238 HydrophobicContact CD2-CG2 3.61Å
203S94.4Very high91.1Very high68 Ų6858.9 Ų58.948%0.47634%0.336SS..EExtended strand (participates in β ladder)trans-133.4139.9169.561.30000111.9I190I190-S203 CarbonylContact O-C 3.6Å; I190-S203 WeakPolarHBondContact O-CA 3.38Å
204L95.3Very high91Very high0 Ų058.3 Ų58.30%033%0.334CS..EExtended strand (participates in β ladder)trans-111.6137.1169.9-48.9175.1000108.4T189 I190 F192 L202 V225 W236 S241T189-L204 WeakPolarHBondContact CA-O 3.28Å; I190-L204 HydrophobicContact CB-CB 4.26Å; I190-L204 PolarHBondContact N-O 3.05Å; I190-L204 PolarHBondContact O-N 2.84Å; F192-L204 HydrophobicContact CE2-CD1 3.81Å; F192-L204 HydrophobicContact CE2-CG 3.99Å; F192-L204 HydrophobicContact CZ-CD1 4.23Å; L202-L204 HydrophobicContact CD2-CD2 4.33Å; L204-V225 HydrophobicContact CD1-CB 4.34Å; L204-V225 HydrophobicContact CD1-CG1 4.43Å; L204-V225 HydrophobicContact CD1-CG2 4.41Å; L204-W236 HydrophobicContact CB-CD2 4.1Å; L204-W236 HydrophobicContact CB-CE3 4.2Å; L204-W236 HydrophobicContact CB-CH2 4.43Å; L204-W236 HydrophobicContact CB-CZ2 4.37Å; L204-W236 HydrophobicContact CB-CZ3 4.34Å; L204-W236 HydrophobicContact CD1-CB 3.89Å; L204-W236 HydrophobicContact CD1-CD2 4.09Å; L204-W236 HydrophobicContact CD1-CE3 4.42Å; L204-W236 HydrophobicContact CD1-CG 3.85Å; L204-W236 HydrophobicContact CD2-CD2 4.4Å; L204-W236 HydrophobicContact CD2-CE3 3.92Å; L204-W236 HydrophobicContact CD2-CZ3 4.31Å; L204-W236 HydrophobicContact CG-CD2 4.42Å; L204-W236 HydrophobicContact CG-CE3 4.4Å; L204-S241 VanDerWaalsContact CD2-CB 3.47Å
205D94.1Very high91Very high84 Ų8456.5 Ų56.545%0.44932%0.324SS..EExtended strand (participates in β ladder)trans-112.6109.8178.7-1755.1000110.4G207 W236D205-G207 PolarHBondContact O-N 2.84Å; D205-G207 WeakPolarHBondContact OD1-CA 3.46Å; D205-G207 PolarHBondContact OD1-N 3.03Å; D205-W236 WeakPolarHBondContact O-CH2 3.32Å; D205-W236 WeakPolarHBondContact O-CZ2 3.34Å
206C89.7Confident91.2Very high6 Ų656.5 Ų56.54%0.04132%0.324CS..  trans-73.80.7177.5-57.70000113.6G188 V229 L234G188-C206 VanDerWaalsContact O-CB 3.31Å; G188-C206 WeakPolarHBondContact O-CB 3.47Å; G188-C206 PolarHBondContact O-N 2.85Å; G188-C206 PolarHBondContact O-SG 2.97Å; G188-C206 VanDerWaalsContact O-SG 3.39Å; C206-V229 HydrophobicContact CB-CG2 3.65Å; C206-L234 HydrophobicContact CB-CD1 3.98Å
207G81.3Confident91.3Very high23 Ų2352 Ų5224%0.23730%0.296CS..  trans75.3-174.818000000112.8D205 S209D205-G207 PolarHBondContact O-N 2.84Å; D205-G207 WeakPolarHBondContact OD1-CA 3.46Å; D205-G207 PolarHBondContact OD1-N 3.03Å; G207-S209 PolarHBondContact O-N 3.08Å
208H75Confident91.3Very high183 Ų18348.3 Ų48.385%0.84727%0.273SS*.SBendtrans-98.323.7-168.1-62.280.2000113.7G210H208-G210 PolarHBondContact O-N 2.99Å
209S73.6Confident91.1Very high54 Ų5446.8 Ų46.838%0.37827%0.268SS..SBendtrans-79.62.4-175.255.80000114.9G207 K247G207-S209 PolarHBondContact O-N 3.08Å; S209-K247 PolarHBondContact OG-NZ 3Å
210G86.5Confident90.9Very high28 Ų2843.9 Ų43.929%0.28926%0.26SS..SBendtrans151-179.6177.600000112H208 V229H208-G210 PolarHBondContact O-N 2.99Å; G210-V229 VanDerWaalsContact O-CG1 3.27Å; G210-V229 WeakPolarHBondContact O-CG1 3.22Å
211P92.7Very high90.8Very high46 Ų4643.4 Ų43.430%0.29925%0.25SC..  trans-68.4139.6171.629.8-33.3000110.2K186 M213 V229 G230K186-P211 HydrophobicContact CG-CB 4.09Å; K186-P211 CarbonylContact O-C 3.37Å; K186-P211 VanDerWaalsContact O-CA 3.29Å; K186-P211 WeakPolarHBondContact O-CA 3.27Å; P211-M213 HydrophobicContact CB-SD 4.22Å; P211-M213 HydrophobicContact CG-SD 4.03Å; P211-V229 WeakPolarHBondContact O-CA 3.39Å; P211-G230 PolarHBondContact O-N 2.6Å
212L95.3Very high90.6Very high0 Ų040.4 Ų40.40%024%0.236CC..EExtended strand (participates in β ladder)trans-72.1125.4164.6-178.1152.7000108.4M169 A184 K186 I190 A215 A227 V229M169-L212 HydrophobicContact CB-CD2 3.98Å; M169-L212 HydrophobicContact CG-CD2 4.46Å; M169-L212 WeakPolarHBondContact CG-O 3.28Å; A184-L212 HydrophobicContact CB-CD1 4.19Å; A184-L212 HydrophobicContact CB-CD2 3.69Å; K186-L212 PolarHBondContact O-N 3.06Å; I190-L212 HydrophobicContact CD1-CD1 4.03Å; I190-L212 HydrophobicContact CG1-CD1 3.76Å; L212-A215 HydrophobicContact CD2-CB 4.49Å; L212-A227 HydrophobicContact CD1-CB 4.26Å; L212-V229 HydrophobicContact CB-CG2 4Å; L212-V229 HydrophobicContact CD1-CG2 4.3Å; L212-V229 HydrophobicContact CG-CG2 4.15Å
213M93.9Very high90.5Very high51 Ų5141.5 Ų41.525%0.25124%0.242SC..EExtended strand (participates in β ladder)trans-102.7-35.7-174.5-64-61-61.500112.1P211 V228 A255 R256P211-M213 HydrophobicContact CB-SD 4.22Å; P211-M213 HydrophobicContact CG-SD 4.03Å; M213-V228 HydrophobicContact CB-CG2 4.17Å; M213-V228 PolarHBondContact N-O 3.38Å; M213-A255 WeakPolarHBondContact CG-O 3.41Å; M213-R256 WeakPolarHBondContact CB-O 3.13Å
214S95.4Very high90.6Very high2 Ų239.7 Ų39.71%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-157.8147.5177.8-179.60000109.7S170 A227 V228 R256 F258 R259S170-S214 WeakPolarHBondContact OG-CA 3.16Å; S214-A227 CarbonylContact O-C 3.56Å; S214-A227 WeakPolarHBondContact O-CA 3.09Å; S214-V228 WeakPolarHBondContact O-CG2 3.19Å; S214-V228 PolarHBondContact O-N 3.23Å; S214-R256 WeakPolarHBondContact CB-O 3.31Å; S214-F258 PolarHBondContact OG-N 3.01Å; S214-F258 PolarHBondContact OG-O 3.27Å; S214-R259 PolarHBondContact OG-NH1 2.92Å; S214-R259 VanDerWaalsContact OG-NH1 3.16Å
215A97.1Very high90.6Very high0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-138.4153.4168.300000110.1S170 M182 A184 I190 L212 G226 A227S170-A215 VanDerWaalsContact CB-O 3.28Å; S170-A215 WeakPolarHBondContact CB-O 3.4Å; S170-A215 PolarHBondContact OG-N 3.47Å; M182-A215 HydrophobicContact CE-CB 4.27Å; A184-A215 HydrophobicContact CB-CB 3.57Å; I190-A215 HydrophobicContact CD1-CB 3.93Å; L212-A215 HydrophobicContact CD2-CB 4.49Å; A215-G226 CarbonylContact C-O 3.59Å; A215-G226 WeakPolarHBondContact CA-O 3.42Å; A215-A227 HydrophobicContact CB-CB 3.89Å
216D96.8Very high90.7Very high23 Ų2335.7 Ų35.712%0.12320%0.204CC..EExtended strand (participates in β ladder)trans-143145.7179-160.713.7000111.3C172 G226 F258 R259 W260C172-D216 PolarHBondContact SG-OD1 3.48Å; D216-G226 PolarHBondContact N-O 3.12Å; D216-G226 PolarHBondContact O-N 3.32Å; D216-F258 HydrophobicContact CB-CD1 3.9Å; D216-F258 HydrophobicContact CB-CE1 4.33Å; D216-R259 WeakPolarHBondContact OD2-CA 3.42Å; D216-W260 PolarHBondContact OD2-N 3.06Å
217W95.4Very high91Very high9 Ų935.4 Ų35.43%0.03420%0.202CC..EExtended strand (participates in β ladder)trans-98.3122.1178.8-160.2-16.5000108.5C172 H174 M182 F192 L219 T222 V225 I238C172-W217 HydrophobicContact CB-CB 4.06Å; H174-W217 HydrophobicContact CB-CE3 4.4Å; H174-W217 HydrophobicContact CB-CH2 3.92Å; H174-W217 HydrophobicContact CB-CZ3 3.75Å; H174-W217 AromaticContact CD2-CH2 3.45Å; H174-W217 VanDerWaalsContact CD2-CH2 3.45Å; H174-W217 WeakPolarHBondContact CD2-CH2 3.28Å; H174-W217 AromaticContact CD2-CZ2 3.47Å; H174-W217 VanDerWaalsContact CD2-CZ2 3.47Å; H174-W217 WeakPolarHBondContact CD2-CZ2 3.45Å; M182-W217 HydrophobicContact CB-CE3 3.63Å; M182-W217 HydrophobicContact CB-CZ3 3.9Å; M182-W217 HydrophobicContact CE-CB 4.23Å; M182-W217 HydrophobicContact SD-CB 4.18Å; M182-W217 HydrophobicContact SD-CG 4.49Å; F192-W217 HydrophobicContact CD1-CE3 4.32Å; F192-W217 AromaticContact CD1-CH2 3.37Å; F192-W217 HydrophobicContact CD1-CH2 3.37Å; F192-W217 AromaticContact CD1-CZ2 3.97Å; F192-W217 HydrophobicContact CD1-CZ2 3.97Å; F192-W217 AromaticContact CD1-CZ3 3.59Å; F192-W217 HydrophobicContact CD1-CZ3 3.59Å; F192-W217 HydrophobicContact CE1-CD2 4.03Å; F192-W217 AromaticContact CE1-CE2 3.89Å; F192-W217 AromaticContact CE1-CE3 3.88Å; F192-W217 HydrophobicContact CE1-CE3 3.88Å; F192-W217 AromaticContact CE1-CH2 3.41Å; F192-W217 HydrophobicContact CE1-CH2 3.41Å; F192-W217 VanDerWaalsContact CE1-CH2 3.41Å; F192-W217 AromaticContact CE1-CZ2 3.59Å; F192-W217 HydrophobicContact CE1-CZ2 3.59Å; F192-W217 AromaticContact CE1-CZ3 3.58Å; F192-W217 HydrophobicContact CE1-CZ3 3.58Å; W217-L219 PolarHBondContact O-N 3.35Å; W217-L219 VanDerWaalsContact O-N 3.09Å; W217-T222 PolarHBondContact NE1-O 3.02Å; W217-V225 HydrophobicContact CG-CG2 4.46Å; W217-I238 HydrophobicContact CZ2-CD1 3.79Å
218C94.1Very high91.7Very high0 Ų034.3 Ų34.30%019%0.191CC..  trans-61.1115.8175.6-176.80000110.5T220 N221 T222 K224 W260C218-T220 PolarHBondContact SG-OG1 2.86Å; C218-N221 VanDerWaalsContact CB-O 3.31Å; C218-N221 WeakPolarHBondContact CB-O 3.31Å; C218-N221 CarbonylContact O-C 3.55Å; C218-N221 VanDerWaalsContact O-C 3.24Å; C218-N221 VanDerWaalsContact O-O 3.12Å; C218-N221 PolarHBondContact SG-N 2.94Å; C218-N221 VanDerWaalsContact SG-N 3.4Å; C218-T222 PolarHBondContact O-N 3.05Å; C218-K224 HydrophobicContact CB-CB 3.76Å; C218-K224 VanDerWaalsContact CB-O 3.3Å; C218-K224 WeakPolarHBondContact CB-O 3.37Å; C218-K224 PolarHBondContact N-O 2.87Å; C218-W260 HydrophobicContact CB-CD2 3.59Å; C218-W260 HydrophobicContact CB-CE3 3.88Å; C218-W260 HydrophobicContact CB-CG 3.93Å; C218-W260 HydrophobicContact CB-CH2 4.46Å; C218-W260 HydrophobicContact CB-CZ2 4.2Å; C218-W260 HydrophobicContact CB-CZ3 4.32Å; C218-W260 VanDerWaalsContact SG-CE2 3.6Å; C218-W260 PolarHBondContact SG-NE1 2.91Å; C218-W260 VanDerWaalsContact SG-NE1 3.39Å
219L87.6Confident92.5Very high68 Ų6825.6 Ų25.636%0.35615%0.15SC..SBendtrans-77.2-27.7-175.3-56.9-178.4000112.7P175 W217 I262P175-L219 HydrophobicContact CB-CD2 4.15Å; P175-L219 HydrophobicContact CG-CD2 4.28Å; W217-L219 PolarHBondContact O-N 3.35Å; W217-L219 VanDerWaalsContact O-N 3.09Å; L219-I262 HydrophobicContact CD1-CG1 4.5Å
220T88.3Confident93.3Very high76 Ų7623.2 Ų23.247%0.46614%0.135SC..SBendtrans-80.4-32.9177.243.60000112.1C218 I262 E265C218-T220 PolarHBondContact SG-OG1 2.86Å; T220-I262 WeakPolarHBondContact CG2-O 3.36Å; T220-E265 WeakPolarHBondContact OG1-CA 3.39Å; T220-E265 VanDerWaalsContact OG1-CB 3.27Å; T220-E265 WeakPolarHBondContact OG1-CB 3.38Å
221N91.5Very high93.5Very high41 Ų4124.9 Ų24.922%0.21914%0.137CC..  trans-131.995.3175.1-175.5-14.7000110.2C218 I223 K224 E265C218-N221 VanDerWaalsContact CB-O 3.31Å; C218-N221 WeakPolarHBondContact CB-O 3.31Å; C218-N221 CarbonylContact O-C 3.55Å; C218-N221 VanDerWaalsContact O-C 3.24Å; C218-N221 VanDerWaalsContact O-O 3.12Å; C218-N221 PolarHBondContact SG-N 2.94Å; C218-N221 VanDerWaalsContact SG-N 3.4Å; N221-I223 PolarHBondContact O-N 3.29Å; N221-I223 WeakPolarHBondContact OD1-CB 3.33Å; N221-I223 PolarHBondContact OD1-N 2.81Å; N221-K224 HydrophobicContact CB-CD 4.32Å; N221-K224 PolarHBondContact O-N 3.35Å; N221-E265 HydrophobicContact CB-CB 4.13Å; N221-E265 VanDerWaalsContact CB-OE2 3.23Å; N221-E265 WeakPolarHBondContact CB-OE2 3.32Å; N221-E265 PolarHBondContact ND2-OE2 3.03Å
222T91.1Very high93.4Very high40 Ų4024.2 Ų24.225%0.24513%0.131CC..THydrogen-bonded Turntrans-66.4-0.9-174.960.60000114.3P175 W217 C218 I238P175-T222 HydrophobicContact CG-CG2 3.44Å; P175-T222 VanDerWaalsContact CG-CG2 3.44Å; W217-T222 PolarHBondContact NE1-O 3.02Å; C218-T222 PolarHBondContact O-N 3.05Å; T222-I238 WeakPolarHBondContact O-CD1 3.2Å
223I92.5Very high93.3Very high70 Ų7024.3 Ų24.336%0.35913%0.131SC..THydrogen-bonded Turntrans-85.6-23.3172.6-58.3170.5000110.8N221 D237 I238 T239N221-I223 PolarHBondContact O-N 3.29Å; N221-I223 WeakPolarHBondContact OD1-CB 3.33Å; N221-I223 PolarHBondContact OD1-N 2.81Å; I223-D237 WeakPolarHBondContact CG2-OD1 3.45Å; I223-I238 HydrophobicContact CG2-CB 4.39Å; I223-I238 WeakPolarHBondContact O-CB 3.3Å; I223-I238 VanDerWaalsContact O-CG1 3.31Å; I223-I238 WeakPolarHBondContact O-CG1 3.31Å; I223-I238 PolarHBondContact O-N 2.83Å; I223-T239 HydrophobicContact CD1-CG2 4.36Å; I223-T239 HydrophobicContact CG2-CG2 3.86Å
224K95.1Very high93.4Very high29 Ų2922 Ų2213%0.12612%0.12CC..EExtended strand (participates in β ladder)trans-92.9134.1-175.2-69.5175.4179.1165.40112.3C218 N221 W236 W260 E265 N266 L286C218-K224 HydrophobicContact CB-CB 3.76Å; C218-K224 VanDerWaalsContact CB-O 3.3Å; C218-K224 WeakPolarHBondContact CB-O 3.37Å; C218-K224 PolarHBondContact N-O 2.87Å; N221-K224 HydrophobicContact CB-CD 4.32Å; N221-K224 PolarHBondContact O-N 3.35Å; K224-W236 WeakPolarHBondContact CA-O 3.44Å; K224-W260 HydrophobicContact CB-CH2 3.76Å; K224-W260 HydrophobicContact CB-CZ2 4.16Å; K224-W260 HydrophobicContact CB-CZ3 4.24Å; K224-W260 HydrophobicContact CD-CH2 4.06Å; K224-W260 HydrophobicContact CD-CZ2 3.86Å; K224-W260 HydrophobicContact CG-CH2 4.41Å; K224-E265 VanDerWaalsContact NZ-CD 3.31Å; K224-E265 IonicContact NZ-OE1 3.65Å; K224-E265 IonicContact NZ-OE2 3.16Å; K224-E265 PolarHBondContact NZ-OE2 2.9Å; K224-N266 PolarHBondContact NZ-OD1 2.75Å; K224-N266 VanDerWaalsContact NZ-OD1 3.1Å; K224-L286 HydrophobicContact CD-CD1 4.35Å
225V96.4Very high93.4Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-131.1131.8174.5176.70000108.8M182 I190 F192 L204 W217 I235 W236 I238M182-V225 HydrophobicContact SD-CG1 3.73Å; M182-V225 HydrophobicContact SD-CG2 4.26Å; I190-V225 HydrophobicContact CD1-CG1 4.08Å; F192-V225 HydrophobicContact CE1-CG2 4.42Å; F192-V225 HydrophobicContact CZ-CG2 3.77Å; L204-V225 HydrophobicContact CD1-CB 4.34Å; L204-V225 HydrophobicContact CD1-CG1 4.43Å; L204-V225 HydrophobicContact CD1-CG2 4.41Å; W217-V225 HydrophobicContact CG-CG2 4.46Å; V225-I235 CarbonylContact O-C 3.5Å; V225-I235 WeakPolarHBondContact O-CA 3.49Å; V225-W236 HydrophobicContact CB-CB 4.23Å; V225-W236 PolarHBondContact N-O 3.13Å; V225-W236 VanDerWaalsContact N-O 3.1Å; V225-W236 PolarHBondContact O-N 3.38Å; V225-I238 HydrophobicContact CG2-CD1 3.5Å; V225-I238 HydrophobicContact CG2-CG1 3.83Å
226G96.3Very high93.3Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-114.1145178.800000111.5A215 D216 L234A215-G226 CarbonylContact C-O 3.59Å; A215-G226 WeakPolarHBondContact CA-O 3.42Å; D216-G226 PolarHBondContact N-O 3.12Å; D216-G226 PolarHBondContact O-N 3.32Å; G226-L234 WeakPolarHBondContact CA-O 3.21Å
227A96.1Very high93.2Very high0 Ų021.9 Ų21.90%012%0.119CC..EExtended strand (participates in β ladder)trans-147.8155.9178.100000111.8I190 L212 S214 A215 W233 L234I190-A227 HydrophobicContact CD1-CB 4Å; L212-A227 HydrophobicContact CD1-CB 4.26Å; S214-A227 CarbonylContact O-C 3.56Å; S214-A227 WeakPolarHBondContact O-CA 3.09Å; A215-A227 HydrophobicContact CB-CB 3.89Å; A227-W233 CarbonylContact O-C 3.59Å; A227-W233 VanDerWaalsContact O-CA 3.24Å; A227-W233 WeakPolarHBondContact O-CA 3.34Å; A227-L234 PolarHBondContact N-O 2.87Å; A227-L234 PolarHBondContact O-N 2.91Å
228V94.8Very high93Very high0 Ų023.3 Ų23.30%013%0.127CC..EExtended strand (participates in β ladder)trans-114.2127.8168.9-78.50000110.4M213 S214 D232 W233 A255 F258 T270M213-V228 HydrophobicContact CB-CG2 4.17Å; M213-V228 PolarHBondContact N-O 3.38Å; S214-V228 WeakPolarHBondContact O-CG2 3.19Å; S214-V228 PolarHBondContact O-N 3.23Å; V228-D232 WeakPolarHBondContact CA-O 3.46Å; V228-W233 HydrophobicContact CG1-CB 4.01Å; V228-A255 HydrophobicContact CB-CB 3.62Å; V228-A255 HydrophobicContact CG1-CB 3.59Å; V228-A255 HydrophobicContact CG2-CB 4.3Å; V228-F258 HydrophobicContact CB-CB 4.37Å; V228-F258 HydrophobicContact CG1-CB 3.87Å; V228-F258 HydrophobicContact CG1-CD2 4Å; V228-F258 HydrophobicContact CG1-CG 4.43Å; V228-F258 HydrophobicContact CG2-CB 3.87Å; V228-T270 HydrophobicContact CG1-CG2 3.99Å
229V92.9Very high92.8Very high0 Ų028.2 Ų28.20%016%0.157CC..EExtended strand (participates in β ladder)trans-134.7116.1-176.5-177.80000109.4C206 G210 P211 L212 N231 D232 L234C206-V229 HydrophobicContact CB-CG2 3.65Å; G210-V229 VanDerWaalsContact O-CG1 3.27Å; G210-V229 WeakPolarHBondContact O-CG1 3.22Å; P211-V229 WeakPolarHBondContact O-CA 3.39Å; L212-V229 HydrophobicContact CB-CG2 4Å; L212-V229 HydrophobicContact CD1-CG2 4.3Å; L212-V229 HydrophobicContact CG-CG2 4.15Å; V229-N231 PolarHBondContact O-N 3.06Å; V229-D232 PolarHBondContact N-O 2.96Å; V229-D232 PolarHBondContact O-N 2.89Å; V229-L234 HydrophobicContact CB-CD1 3.71Å; V229-L234 HydrophobicContact CG2-CD1 3.44Å; V229-L234 VanDerWaalsContact CG2-CD1 3.44Å
230G89.8Confident92.8Very high5 Ų530.7 Ų30.75%0.05216%0.162CC..THydrogen-bonded Turntrans57.2-111.1-172.300000111.1P211 K254 A255P211-G230 PolarHBondContact O-N 2.6Å; G230-K254 CarbonylContact O-C 3.57Å; G230-K254 VanDerWaalsContact O-CA 3.31Å; G230-K254 WeakPolarHBondContact O-CA 3.27Å; G230-A255 PolarHBondContact O-N 2.8Å
231N89.6Confident92.8Very high63 Ų6329.2 Ų29.234%0.33716%0.155SC..THydrogen-bonded Turntrans-100.9-9.3-179-72.56.6000113.4V229 A250 H251 K252 K254V229-N231 PolarHBondContact O-N 3.06Å; N231-A250 WeakPolarHBondContact O-CA 3.32Å; N231-A250 VanDerWaalsContact O-CB 3.3Å; N231-A250 WeakPolarHBondContact O-CB 3.42Å; N231-A250 PolarHBondContact O-N 3.33Å; N231-H251 VanDerWaalsContact CB-O 3.23Å; N231-H251 WeakPolarHBondContact CB-O 3.3Å; N231-H251 PolarHBondContact O-N 3.4Å; N231-K252 PolarHBondContact ND2-O 2.7Å; N231-K254 WeakPolarHBondContact OD1-CA 3.35Å; N231-K254 VanDerWaalsContact OD1-CG 3.29Å; N231-K254 WeakPolarHBondContact OD1-CG 3.29Å; N231-K254 PolarHBondContact OD1-N 3.47Å
232D91.6Very high92.5Very high31 Ų3132 Ų3217%0.16618%0.177CC..EExtended strand (participates in β ladder)trans-104.4156-170.7-57.7-34.8000110.8V228 V229 K247 R248 P249V228-D232 WeakPolarHBondContact CA-O 3.46Å; V229-D232 PolarHBondContact N-O 2.96Å; V229-D232 PolarHBondContact O-N 2.89Å; D232-K247 HydrophobicContact CB-CG 4.42Å; D232-K247 WeakPolarHBondContact OD2-CE 3.46Å; D232-K247 IonicContact OD2-NZ 3.2Å; D232-K247 PolarHBondContact OD2-NZ 2.74Å; D232-K247 VanDerWaalsContact OD2-NZ 3.16Å; D232-R248 CarbonylContact C-O 3.59Å; D232-R248 VanDerWaalsContact CA-O 3.3Å; D232-R248 WeakPolarHBondContact CA-O 3.35Å; D232-R248 WeakPolarHBondContact CB-O 3.49Å; D232-P249 WeakPolarHBondContact OD1-CA 3.45Å
233W93.7Very high92.2Very high3 Ų336.8 Ų36.81%0.01119%0.192CC..EExtended strand (participates in β ladder)trans-105.9149.2159.460.5-109.5000110.1A227 V228 I235 E246 K247 R248 A250 F258 F268 T270 H284A227-W233 CarbonylContact O-C 3.59Å; A227-W233 VanDerWaalsContact O-CA 3.24Å; A227-W233 WeakPolarHBondContact O-CA 3.34Å; V228-W233 HydrophobicContact CG1-CB 4.01Å; W233-I235 HydrophobicContact CE3-CD1 4.31Å; W233-I235 HydrophobicContact CE3-CG1 3.69Å; W233-I235 HydrophobicContact CZ3-CB 4.46Å; W233-I235 HydrophobicContact CZ3-CD1 4.42Å; W233-I235 HydrophobicContact CZ3-CG1 3.46Å; W233-I235 VanDerWaalsContact CZ3-CG1 3.46Å; W233-E246 HydrophobicContact CH2-CB 4.37Å; W233-E246 HydrophobicContact CZ3-CB 3.87Å; W233-K247 WeakPolarHBondContact O-CA 3.41Å; W233-R248 HydrophobicContact CD2-CB 4.22Å; W233-R248 HydrophobicContact CH2-CB 4.01Å; W233-R248 HydrophobicContact CH2-CG 3.61Å; W233-R248 HydrophobicContact CZ2-CB 3.58Å; W233-R248 VanDerWaalsContact CZ2-CD 3.44Å; W233-R248 HydrophobicContact CZ2-CG 3.63Å; W233-R248 HydrophobicContact CZ3-CB 4.48Å; W233-R248 HydrophobicContact CZ3-CG 4.2Å; W233-R248 PolarHBondContact N-O 3.24Å; W233-R248 PolarHBondContact O-N 3.23Å; W233-A250 HydrophobicContact CB-CB 4.26Å; W233-A250 HydrophobicContact CG-CB 4.25Å; W233-F258 HydrophobicContact CB-CD2 4.33Å; W233-F258 HydrophobicContact CB-CE2 4.38Å; W233-F268 HydrophobicContact CD2-CE2 4.08Å; W233-F268 AromaticContact CD2-CZ 3.99Å; W233-F268 HydrophobicContact CD2-CZ 3.99Å; W233-F268 AromaticContact CE2-CZ 3.85Å; W233-F268 HydrophobicContact CE3-CZ 4.14Å; W233-F268 HydrophobicContact CG-CE2 4.2Å; W233-F268 HydrophobicContact CH2-CZ 4.07Å; W233-F268 AromaticContact CZ2-CZ 3.87Å; W233-F268 HydrophobicContact CZ2-CZ 3.87Å; W233-F268 HydrophobicContact CZ3-CZ 4.2Å; W233-T270 HydrophobicContact CB-CG2 4.48Å; W233-H284 AromaticContact CD1-CE1 3.89Å; W233-H284 AromaticContact CD1-NE2 3.85Å; W233-H284 AromaticContact NE1-CD2 3.53Å; W233-H284 AromaticContact NE1-CE1 3.7Å; W233-H284 AromaticContact NE1-NE2 3.24Å; W233-H284 PolarHBondContact NE1-NE2 3.1Å
234L95.2Very high92.2Very high1 Ų135.1 Ų35.11%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-127.1144.2178.2-59.9118.3000109.7C206 G226 A227 V229 P244 E246 K247C206-L234 HydrophobicContact CB-CD1 3.98Å; G226-L234 WeakPolarHBondContact CA-O 3.21Å; A227-L234 PolarHBondContact N-O 2.87Å; A227-L234 PolarHBondContact O-N 2.91Å; V229-L234 HydrophobicContact CB-CD1 3.71Å; V229-L234 HydrophobicContact CG2-CD1 3.44Å; V229-L234 VanDerWaalsContact CG2-CD1 3.44Å; L234-P244 HydrophobicContact CB-CB 4.34Å; L234-P244 HydrophobicContact CD2-CB 3.72Å; L234-P244 HydrophobicContact CD2-CG 3.65Å; L234-E246 CarbonylContact C-O 3.16Å; L234-E246 WeakPolarHBondContact CA-O 3.11Å; L234-K247 HydrophobicContact CD2-CB 4.08Å; L234-K247 HydrophobicContact CD2-CD 3.94Å; L234-K247 HydrophobicContact CD2-CG 3.92Å; L234-K247 HydrophobicContact CG-CG 4.25Å
235I95.8Very high91.9Very high2 Ų238.3 Ų38.31%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-125130.8172.7-54.5-70.5000108.3V225 W233 P244 Q245 E246 F258 W260 F268 L286V225-I235 CarbonylContact O-C 3.5Å; V225-I235 WeakPolarHBondContact O-CA 3.49Å; W233-I235 HydrophobicContact CE3-CD1 4.31Å; W233-I235 HydrophobicContact CE3-CG1 3.69Å; W233-I235 HydrophobicContact CZ3-CB 4.46Å; W233-I235 HydrophobicContact CZ3-CD1 4.42Å; W233-I235 HydrophobicContact CZ3-CG1 3.46Å; W233-I235 VanDerWaalsContact CZ3-CG1 3.46Å; I235-P244 CarbonylContact O-C 3.53Å; I235-Q245 PolarHBondContact O-N 3.01Å; I235-E246 HydrophobicContact CB-CB 4.29Å; I235-E246 PolarHBondContact N-O 2.85Å; I235-E246 PolarHBondContact O-N 2.86Å; I235-E246 VanDerWaalsContact O-N 3.17Å; I235-F258 HydrophobicContact CD1-CE2 3.96Å; I235-F258 HydrophobicContact CD1-CZ 3.68Å; I235-W260 HydrophobicContact CD1-CH2 3.68Å; I235-W260 HydrophobicContact CD1-CZ3 3.62Å; I235-W260 HydrophobicContact CG2-CH2 3.91Å; I235-W260 HydrophobicContact CG2-CZ3 4.42Å; I235-F268 HydrophobicContact CD1-CE1 4.34Å; I235-F268 HydrophobicContact CD1-CZ 4.38Å; I235-L286 HydrophobicContact CD1-CD2 4.31Å; I235-L286 HydrophobicContact CG1-CD2 3.87Å; I235-L286 HydrophobicContact CG2-CD2 4.43Å
236W95.4Very high91.6Very high2 Ų240.4 Ų40.41%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-112.7149-179.9-67.386.1000111L204 D205 K224 V225 S241 Y243 P244L204-W236 HydrophobicContact CB-CD2 4.1Å; L204-W236 HydrophobicContact CB-CE3 4.2Å; L204-W236 HydrophobicContact CB-CH2 4.43Å; L204-W236 HydrophobicContact CB-CZ2 4.37Å; L204-W236 HydrophobicContact CB-CZ3 4.34Å; L204-W236 HydrophobicContact CD1-CB 3.89Å; L204-W236 HydrophobicContact CD1-CD2 4.09Å; L204-W236 HydrophobicContact CD1-CE3 4.42Å; L204-W236 HydrophobicContact CD1-CG 3.85Å; L204-W236 HydrophobicContact CD2-CD2 4.4Å; L204-W236 HydrophobicContact CD2-CE3 3.92Å; L204-W236 HydrophobicContact CD2-CZ3 4.31Å; L204-W236 HydrophobicContact CG-CD2 4.42Å; L204-W236 HydrophobicContact CG-CE3 4.4Å; D205-W236 WeakPolarHBondContact O-CH2 3.32Å; D205-W236 WeakPolarHBondContact O-CZ2 3.34Å; K224-W236 WeakPolarHBondContact CA-O 3.44Å; V225-W236 HydrophobicContact CB-CB 4.23Å; V225-W236 PolarHBondContact N-O 3.13Å; V225-W236 VanDerWaalsContact N-O 3.1Å; V225-W236 PolarHBondContact O-N 3.38Å; W236-S241 WeakPolarHBondContact CZ3-O 3.19Å; W236-Y243 WeakPolarHBondContact CZ3-O 3.33Å; W236-P244 HydrophobicContact CD2-CB 4.1Å; W236-P244 HydrophobicContact CE3-CB 4.49Å; W236-P244 HydrophobicContact CH2-CB 4.3Å; W236-P244 VanDerWaalsContact CH2-CD 3.45Å; W236-P244 HydrophobicContact CH2-CG 4.4Å; W236-P244 HydrophobicContact CZ2-CB 3.85Å; W236-P244 HydrophobicContact CZ2-CG 4.14Å; W236-P244 VanDerWaalsContact CZ3-N 3.33Å
237D93.3Very high91.4Very high20 Ų2045.2 Ų45.211%0.10723%0.231CC..EExtended strand (participates in β ladder)trans-108.6113.8163.4174.8-17.1000106.6I223 T239 R240I223-D237 WeakPolarHBondContact CG2-OD1 3.45Å; D237-T239 VanDerWaalsContact CG-OG1 3.32Å; D237-T239 PolarHBondContact O-N 2.88Å; D237-T239 VanDerWaalsContact O-N 3.17Å; D237-T239 WeakPolarHBondContact OD1-CB 3.13Å; D237-T239 PolarHBondContact OD1-N 2.82Å; D237-T239 PolarHBondContact OD1-OG1 3Å; D237-T239 PolarHBondContact OD2-OG1 2.91Å; D237-R240 CarbonylContact O-C 3.48Å; D237-R240 WeakPolarHBondContact O-CA 3.39Å; D237-R240 PolarHBondContact O-N 2.81Å; D237-R240 IonicContact OD2-CZ 3.2Å; D237-R240 IonicContact OD2-NE 3.24Å; D237-R240 PolarHBondContact OD2-NE 2.81Å; D237-R240 VanDerWaalsContact OD2-NE 3.11Å; D237-R240 IonicContact OD2-NH2 2.67Å; D237-R240 PolarHBondContact OD2-NH2 2.93Å
238I91.1Very high91.1Very high38 Ų3848.1 Ų48.120%0.19524%0.242CC..G310 helixtrans-59.1-27.5-176.9-74161.6000111.8F192 L202 W217 T222 I223 V225 R240F192-I238 HydrophobicContact CE1-CD1 4.09Å; F192-I238 HydrophobicContact CZ-CD1 3.91Å; F192-I238 HydrophobicContact CZ-CG1 4.17Å; L202-I238 HydrophobicContact CD2-CG2 3.61Å; W217-I238 HydrophobicContact CZ2-CD1 3.79Å; T222-I238 WeakPolarHBondContact O-CD1 3.2Å; I223-I238 HydrophobicContact CG2-CB 4.39Å; I223-I238 WeakPolarHBondContact O-CB 3.3Å; I223-I238 VanDerWaalsContact O-CG1 3.31Å; I223-I238 WeakPolarHBondContact O-CG1 3.31Å; I223-I238 PolarHBondContact O-N 2.83Å; V225-I238 HydrophobicContact CG2-CD1 3.5Å; V225-I238 HydrophobicContact CG2-CG1 3.83Å; I238-R240 PolarHBondContact O-N 3.43Å
239T90.3Very high90.7Very high104 Ų10453.1 Ų53.164%0.63828%0.275SS*.G310 helixtrans-71.2-18.6176.370.80000112.7I223 D237I223-T239 HydrophobicContact CD1-CG2 4.36Å; I223-T239 HydrophobicContact CG2-CG2 3.86Å; D237-T239 VanDerWaalsContact CG-OG1 3.32Å; D237-T239 PolarHBondContact O-N 2.88Å; D237-T239 VanDerWaalsContact O-N 3.17Å; D237-T239 WeakPolarHBondContact OD1-CB 3.13Å; D237-T239 PolarHBondContact OD1-N 2.82Å; D237-T239 PolarHBondContact OD1-OG1 3Å; D237-T239 PolarHBondContact OD2-OG1 2.91Å
240R88.8Confident90.1Very high120 Ų12053.7 Ų53.745%0.45328%0.279SS..G310 helixtrans-128.466.2179.6-67.7-179.9-69.9167.71.5110.1D237 I238 S242D237-R240 CarbonylContact O-C 3.48Å; D237-R240 WeakPolarHBondContact O-CA 3.39Å; D237-R240 PolarHBondContact O-N 2.81Å; D237-R240 IonicContact OD2-CZ 3.2Å; D237-R240 IonicContact OD2-NE 3.24Å; D237-R240 PolarHBondContact OD2-NE 2.81Å; D237-R240 VanDerWaalsContact OD2-NE 3.11Å; D237-R240 IonicContact OD2-NH2 2.67Å; D237-R240 PolarHBondContact OD2-NH2 2.93Å; I238-R240 PolarHBondContact O-N 3.43Å; R240-S242 PolarHBondContact O-N 2.75Å; R240-S242 VanDerWaalsContact O-N 3.15Å
241S86.6Confident89.8Confident45 Ų4553.9 Ų53.932%0.31528%0.279SS..THydrogen-bonded Turntrans-74.21.7-171.763.90000116.3L204 W236L204-S241 VanDerWaalsContact CD2-CB 3.47Å; W236-S241 WeakPolarHBondContact CZ3-O 3.19Å
242S85.2Confident89.2Confident98 Ų9859.2 Ų59.269%0.68530%0.299SS*.THydrogen-bonded Turntrans-78.5-29.1-174.452.30000113.7R240R240-S242 PolarHBondContact O-N 2.75Å; R240-S242 VanDerWaalsContact O-N 3.15Å
243Y86.5Confident88.5Confident142 Ų14263.8 Ų63.856%0.55732%0.324SS*.SBendtrans-152.6153.8177.258-91.7000111.1W236 Q245W236-Y243 WeakPolarHBondContact CZ3-O 3.33Å; Y243-Q245 PolarHBondContact O-N 2.78Å
244P90.8Very high88Confident35 Ų3569 Ų6923%0.22735%0.346CS..  trans-64.6135.1177.327-33.9000109.7L234 I235 W236 E246L234-P244 HydrophobicContact CB-CB 4.34Å; L234-P244 HydrophobicContact CD2-CB 3.72Å; L234-P244 HydrophobicContact CD2-CG 3.65Å; I235-P244 CarbonylContact O-C 3.53Å; W236-P244 HydrophobicContact CD2-CB 4.1Å; W236-P244 HydrophobicContact CE3-CB 4.49Å; W236-P244 HydrophobicContact CH2-CB 4.3Å; W236-P244 VanDerWaalsContact CH2-CD 3.45Å; W236-P244 HydrophobicContact CH2-CG 4.4Å; W236-P244 HydrophobicContact CZ2-CB 3.85Å; W236-P244 HydrophobicContact CZ2-CG 4.14Å; W236-P244 VanDerWaalsContact CZ3-N 3.33Å; P244-E246 VanDerWaalsContact C-N 3.32Å
245Q90.3Very high87.7Confident95 Ų9569 Ų6944%0.44435%0.346SS..SBendtrans-64.3-41.8177.8-177.4-179.9-0.300110.7I235 Y243I235-Q245 PolarHBondContact O-N 3.01Å; Y243-Q245 PolarHBondContact O-N 2.78Å
246E90.7Very high87.4Confident45 Ų4571.6 Ų71.621%0.2136%0.356CS..EExtended strand (participates in β ladder)trans-133.1142.8176-64-166.5-13200111W233 L234 I235 P244 R248W233-E246 HydrophobicContact CH2-CB 4.37Å; W233-E246 HydrophobicContact CZ3-CB 3.87Å; L234-E246 CarbonylContact C-O 3.16Å; L234-E246 WeakPolarHBondContact CA-O 3.11Å; I235-E246 HydrophobicContact CB-CB 4.29Å; I235-E246 PolarHBondContact N-O 2.85Å; I235-E246 PolarHBondContact O-N 2.86Å; I235-E246 VanDerWaalsContact O-N 3.17Å; P244-E246 VanDerWaalsContact C-N 3.32Å; E246-R248 IonicContact OE2-CZ 2.83Å; E246-R248 IonicContact OE2-NE 3.96Å; E246-R248 PolarHBondContact OE2-NE 3.05Å; E246-R248 IonicContact OE2-NH2 2.79Å; E246-R248 PolarHBondContact OE2-NH2 3.41Å
247K91.5Very high87.2Confident100 Ų10072.8 Ų72.844%0.43536%0.362SS..EExtended strand (participates in β ladder)trans-139.6122.7171.5178.8178.3176.7171.90108.2S209 D232 W233 L234S209-K247 PolarHBondContact OG-NZ 3Å; D232-K247 HydrophobicContact CB-CG 4.42Å; D232-K247 WeakPolarHBondContact OD2-CE 3.46Å; D232-K247 IonicContact OD2-NZ 3.2Å; D232-K247 PolarHBondContact OD2-NZ 2.74Å; D232-K247 VanDerWaalsContact OD2-NZ 3.16Å; W233-K247 WeakPolarHBondContact O-CA 3.41Å; L234-K247 HydrophobicContact CD2-CB 4.08Å; L234-K247 HydrophobicContact CD2-CD 3.94Å; L234-K247 HydrophobicContact CD2-CG 3.92Å; L234-K247 HydrophobicContact CG-CG 4.25Å
248R90.1Very high87.3Confident61 Ų6171.9 Ų71.923%0.2336%0.357CS..EExtended strand (participates in β ladder)trans-140.1153.4177.3-53.3-167.1-165.2159.40.3112D232 W233 E246 A250 H288 P289D232-R248 CarbonylContact C-O 3.59Å; D232-R248 VanDerWaalsContact CA-O 3.3Å; D232-R248 WeakPolarHBondContact CA-O 3.35Å; D232-R248 WeakPolarHBondContact CB-O 3.49Å; W233-R248 HydrophobicContact CD2-CB 4.22Å; W233-R248 HydrophobicContact CH2-CB 4.01Å; W233-R248 HydrophobicContact CH2-CG 3.61Å; W233-R248 HydrophobicContact CZ2-CB 3.58Å; W233-R248 VanDerWaalsContact CZ2-CD 3.44Å; W233-R248 HydrophobicContact CZ2-CG 3.63Å; W233-R248 HydrophobicContact CZ3-CB 4.48Å; W233-R248 HydrophobicContact CZ3-CG 4.2Å; W233-R248 PolarHBondContact N-O 3.24Å; W233-R248 PolarHBondContact O-N 3.23Å; E246-R248 IonicContact OE2-CZ 2.83Å; E246-R248 IonicContact OE2-NE 3.96Å; E246-R248 PolarHBondContact OE2-NE 3.05Å; E246-R248 IonicContact OE2-NH2 2.79Å; E246-R248 PolarHBondContact OE2-NH2 3.41Å; R248-A250 PolarHBondContact O-N 3.15Å; R248-H288 PolarHBondContact NH1-O 3.09Å; R248-P289 PolarHBondContact NH1-O 2.91Å
249P86.3Confident87.6Confident106 Ų10671.3 Ų71.369%0.68835%0.353SS*.EExtended strand (participates in β ladder)trans-61.1130.2171.5-20.633000110.5D232D232-P249 WeakPolarHBondContact OD1-CA 3.45Å
250A79.5Confident87.8Confident11 Ų1166.6 Ų66.69%0.09132%0.323CS..  trans-98.6-66.6175.600000109.6N231 W233 R248 A255 F282N231-A250 WeakPolarHBondContact O-CA 3.32Å; N231-A250 VanDerWaalsContact O-CB 3.3Å; N231-A250 WeakPolarHBondContact O-CB 3.42Å; N231-A250 PolarHBondContact O-N 3.33Å; W233-A250 HydrophobicContact CB-CB 4.26Å; W233-A250 HydrophobicContact CG-CB 4.25Å; R248-A250 PolarHBondContact O-N 3.15Å; A250-A255 HydrophobicContact CB-CB 4.2Å; A250-F282 WeakPolarHBondContact O-CD2 3.22Å; A250-F282 WeakPolarHBondContact O-CE2 3.37Å
251H83.5Confident88.1Confident10 Ų1061 Ų615%0.04630%0.302CS..  trans-129.6143.1-169.4-67.5-89.6000111N231 D253 T270 G272 Q280 F282N231-H251 VanDerWaalsContact CB-O 3.23Å; N231-H251 WeakPolarHBondContact CB-O 3.3Å; N231-H251 PolarHBondContact O-N 3.4Å; H251-D253 VanDerWaalsContact C-N 3.34Å; H251-T270 PolarHBondContact NE2-OG1 2.97Å; H251-G272 PolarHBondContact CE1-N 2.93Å; H251-G272 WeakPolarHBondContact ND1-CA 3.38Å; H251-G272 PolarHBondContact ND1-N 2.81Å; H251-Q280 PolarHBondContact CE1-O 3.27Å; H251-F282 AromaticContact CE1-CD2 3.16Å; H251-F282 WeakPolarHBondContact CE1-CD2 3.42Å; H251-F282 AromaticContact CE1-CE2 3.36Å; H251-F282 WeakPolarHBondContact CE1-CE2 3.33Å; H251-F282 AromaticContact CE1-CG 3.88Å; H251-F282 AromaticContact CG-CE2 3.92Å; H251-F282 AromaticContact ND1-CD2 3.64Å; H251-F282 AromaticContact ND1-CE2 3.32Å; H251-F282 VanDerWaalsContact ND1-CE2 3.32Å; H251-F282 WeakPolarHBondContact ND1-CE2 3.31Å; H251-F282 AromaticContact NE2-CD2 3.45Å; H251-F282 WeakPolarHBondContact NE2-CD2 3.47Å; H251-F282 AromaticContact NE2-CE2 3.97Å
252K77.8Confident88.3Confident175 Ų17560.9 Ų60.976%0.76130%0.298SS*.THydrogen-bonded Turntrans-65.8-38.6176.2-70-177.4179.7176.60111.9N231N231-K252 PolarHBondContact ND2-O 2.7Å
253D76.6Confident88.4Confident127 Ų12758.2 Ų58.268%0.67928%0.281SS*.THydrogen-bonded Turntrans-112.452.1-174.1-65.3-33.6000112.4H251H251-D253 VanDerWaalsContact C-N 3.34Å
254K83.2Confident88.6Confident112 Ų11253.8 Ų53.849%0.48727%0.267SS..  trans64.2138-178-59.4176.6-178.4176.70115.2G230 N231 G272 C273G230-K254 CarbonylContact O-C 3.57Å; G230-K254 VanDerWaalsContact O-CA 3.31Å; G230-K254 WeakPolarHBondContact O-CA 3.27Å; N231-K254 WeakPolarHBondContact OD1-CA 3.35Å; N231-K254 VanDerWaalsContact OD1-CG 3.29Å; N231-K254 WeakPolarHBondContact OD1-CG 3.29Å; N231-K254 PolarHBondContact OD1-N 3.47Å; K254-G272 CarbonylContact O-C 3.56Å; K254-G272 WeakPolarHBondContact O-CA 3.29Å; K254-C273 PolarHBondContact O-N 2.86Å
255A87.8Confident88.6Confident0 Ų055.3 Ų55.30%027%0.272CS..EExtended strand (participates in β ladder)trans-83.3143.8169.600000109.9M213 V228 G230 A250M213-A255 WeakPolarHBondContact CG-O 3.41Å; V228-A255 HydrophobicContact CB-CB 3.62Å; V228-A255 HydrophobicContact CG1-CB 3.59Å; V228-A255 HydrophobicContact CG2-CB 4.3Å; G230-A255 PolarHBondContact O-N 2.8Å; A250-A255 HydrophobicContact CB-CB 4.2Å
256R89.9Confident88.7Confident58 Ų5852.8 Ų52.822%0.21926%0.261CS..EExtended strand (participates in β ladder)trans-109.6-61.2-179.4-174.6-176.3172.6-160.3-1.3111.4M213 S214 T271 G300 S301M213-R256 WeakPolarHBondContact CB-O 3.13Å; S214-R256 WeakPolarHBondContact CB-O 3.31Å; R256-T271 PolarHBondContact N-O 3.4Å; R256-G300 PolarHBondContact NH1-O 3.27Å; R256-G300 VanDerWaalsContact NH1-O 3.17Å; R256-S301 PolarHBondContact NH1-OG 3.18Å
257L92.4Very high88.9Confident27 Ų2750.7 Ų50.714%0.14125%0.251CS..EExtended strand (participates in β ladder)trans-111.8146.8-177.4-57.2174.5000110.8T270 T271 L303L257-T270 WeakPolarHBondContact O-CA 3.4Å; L257-T271 WeakPolarHBondContact CB-OG1 3.31Å; L257-T271 PolarHBondContact N-OG1 3.15Å; L257-T271 PolarHBondContact O-N 2.79Å; L257-T271 VanDerWaalsContact O-N 3.1Å; L257-L303 HydrophobicContact CB-CB 4.36Å; L257-L303 HydrophobicContact CB-CD2 4.29Å; L257-L303 HydrophobicContact CD1-CB 3.77Å
258F95.3Very high89.1Confident0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-128.4128.4165.7-177-73.4000107.1S214 D216 V228 W233 I235 W260 F268 T270S214-F258 PolarHBondContact OG-N 3.01Å; S214-F258 PolarHBondContact OG-O 3.27Å; D216-F258 HydrophobicContact CB-CD1 3.9Å; D216-F258 HydrophobicContact CB-CE1 4.33Å; V228-F258 HydrophobicContact CB-CB 4.37Å; V228-F258 HydrophobicContact CG1-CB 3.87Å; V228-F258 HydrophobicContact CG1-CD2 4Å; V228-F258 HydrophobicContact CG1-CG 4.43Å; V228-F258 HydrophobicContact CG2-CB 3.87Å; W233-F258 HydrophobicContact CB-CD2 4.33Å; W233-F258 HydrophobicContact CB-CE2 4.38Å; I235-F258 HydrophobicContact CD1-CE2 3.96Å; I235-F258 HydrophobicContact CD1-CZ 3.68Å; F258-W260 HydrophobicContact CE1-CD2 4.43Å; F258-W260 AromaticContact CE1-CE3 3.65Å; F258-W260 HydrophobicContact CE1-CE3 3.65Å; F258-W260 HydrophobicContact CE1-CZ3 4.18Å; F258-W260 AromaticContact CZ-CE3 3.89Å; F258-W260 HydrophobicContact CZ-CE3 3.89Å; F258-W260 HydrophobicContact CZ-CZ3 4.02Å; F258-F268 HydrophobicContact CD2-CD2 4.06Å; F258-F268 HydrophobicContact CD2-CE2 4.42Å; F258-F268 HydrophobicContact CE1-CB 4.17Å; F258-F268 HydrophobicContact CE1-CD2 4.47Å; F258-F268 HydrophobicContact CE1-CG 4.49Å; F258-F268 HydrophobicContact CE2-CB 4.39Å; F258-F268 AromaticContact CE2-CD2 3.22Å; F258-F268 HydrophobicContact CE2-CD2 3.22Å; F258-F268 AromaticContact CE2-CE2 3.53Å; F258-F268 HydrophobicContact CE2-CE2 3.53Å; F258-F268 AromaticContact CE2-CG 3.91Å; F258-F268 HydrophobicContact CE2-CG 3.91Å; F258-F268 HydrophobicContact CE2-CZ 4.42Å; F258-F268 HydrophobicContact CZ-CB 3.76Å; F258-F268 HydrophobicContact CZ-CD1 4.37Å; F258-F268 AromaticContact CZ-CD2 3.46Å; F258-F268 HydrophobicContact CZ-CD2 3.46Å; F258-F268 VanDerWaalsContact CZ-CD2 3.46Å; F258-F268 HydrophobicContact CZ-CE2 4.08Å; F258-F268 AromaticContact CZ-CG 3.61Å; F258-F268 HydrophobicContact CZ-CG 3.61Å; F258-T270 HydrophobicContact CD2-CG2 3.71Å; F258-T270 HydrophobicContact CE2-CG2 4.29Å; F258-T270 HydrophobicContact CG-CG2 4.48Å
259R95.9Very high89.3Confident26 Ų2643 Ų4310%0.09822%0.22CC..EExtended strand (participates in β ladder)trans-138.3128.5174.4-68.6-69.2-174.3-102.58.1110.9E23 H129 S214 D216 F268 A269 L303 W305E23-R259 IonicContact OE1-NH2 2.7Å; H129-R259 PolarHBondContact NE2-NH2 2.75Å; S214-R259 PolarHBondContact OG-NH1 2.92Å; S214-R259 VanDerWaalsContact OG-NH1 3.16Å; D216-R259 WeakPolarHBondContact OD2-CA 3.42Å; R259-F268 WeakPolarHBondContact O-CA 3.48Å; R259-F268 WeakPolarHBondContact O-CB 3.34Å; R259-A269 PolarHBondContact N-O 3.49Å; R259-A269 PolarHBondContact O-N 2.94Å; R259-L303 HydrophobicContact CB-CD2 3.75Å; R259-L303 HydrophobicContact CB-CG 4.06Å; R259-L303 HydrophobicContact CG-CB 4.31Å; R259-L303 HydrophobicContact CG-CD2 3.79Å; R259-L303 HydrophobicContact CG-CG 3.9Å; R259-L303 WeakPolarHBondContact CG-O 3.23Å; R259-W305 PolarHBondContact O-NE1 3.24Å
260W95.9Very high89.6Confident6 Ų638 Ų382%0.02319%0.187CC..EExtended strand (participates in β ladder)trans-76.1144.8173.2-142.6-69.8000110.1D216 C218 K224 I235 F258 E265 L286D216-W260 PolarHBondContact OD2-N 3.06Å; C218-W260 HydrophobicContact CB-CD2 3.59Å; C218-W260 HydrophobicContact CB-CE3 3.88Å; C218-W260 HydrophobicContact CB-CG 3.93Å; C218-W260 HydrophobicContact CB-CH2 4.46Å; C218-W260 HydrophobicContact CB-CZ2 4.2Å; C218-W260 HydrophobicContact CB-CZ3 4.32Å; C218-W260 VanDerWaalsContact SG-CE2 3.6Å; C218-W260 PolarHBondContact SG-NE1 2.91Å; C218-W260 VanDerWaalsContact SG-NE1 3.39Å; K224-W260 HydrophobicContact CB-CH2 3.76Å; K224-W260 HydrophobicContact CB-CZ2 4.16Å; K224-W260 HydrophobicContact CB-CZ3 4.24Å; K224-W260 HydrophobicContact CD-CH2 4.06Å; K224-W260 HydrophobicContact CD-CZ2 3.86Å; K224-W260 HydrophobicContact CG-CH2 4.41Å; I235-W260 HydrophobicContact CD1-CH2 3.68Å; I235-W260 HydrophobicContact CD1-CZ3 3.62Å; I235-W260 HydrophobicContact CG2-CH2 3.91Å; I235-W260 HydrophobicContact CG2-CZ3 4.42Å; F258-W260 HydrophobicContact CE1-CD2 4.43Å; F258-W260 AromaticContact CE1-CE3 3.65Å; F258-W260 HydrophobicContact CE1-CE3 3.65Å; F258-W260 HydrophobicContact CE1-CZ3 4.18Å; F258-W260 AromaticContact CZ-CE3 3.89Å; F258-W260 HydrophobicContact CZ-CE3 3.89Å; F258-W260 HydrophobicContact CZ-CZ3 4.02Å; W260-E265 VanDerWaalsContact CE2-O 3.28Å; W260-E265 WeakPolarHBondContact CZ2-O 3.45Å; W260-E265 VanDerWaalsContact NE1-C 3.26Å; W260-E265 PolarHBondContact NE1-O 3.03Å; W260-L286 HydrophobicContact CH2-CD1 4.3Å; W260-L286 HydrophobicContact CZ2-CD1 3.98Å
261S94.6Very high90.2Very high1 Ų137.5 Ų37.51%0.00718%0.183CC..  trans-67.9133.4169.3-178.70000110.4A263 N264 L267S261-A263 VanDerWaalsContact C-N 3.27Å; S261-A263 PolarHBondContact OG-N 2.95Å; S261-N264 PolarHBondContact OG-N 2.86Å; S261-L267 WeakPolarHBondContact CB-O 3.19Å; S261-L267 PolarHBondContact N-O 2.8Å
262I89.8Confident90.3Very high43 Ų4337.2 Ų37.222%0.22118%0.183CC..SBendtrans-70.5-31.6175-57.3173.9000110.2P26 L219 T220 W305P26-I262 HydrophobicContact CB-CD1 4.02Å; L219-I262 HydrophobicContact CD1-CG1 4.5Å; T220-I262 WeakPolarHBondContact CG2-O 3.36Å; I262-W305 HydrophobicContact CG1-CB 4.48Å
263A87.6Confident90.4Very high42 Ų4230.7 Ų30.735%0.34716%0.159SC..SBendtrans-83.3-28.5-17600000113.8S261 M308S261-A263 VanDerWaalsContact C-N 3.27Å; S261-A263 PolarHBondContact OG-N 2.95Å; A263-M308 WeakPolarHBondContact CB-O 3.38Å
264N90.4Very high89.9Confident49 Ų4927 Ų2726%0.26214%0.142SC..  trans-139.6123.7-172.7-169.8-41.2000112.8S261 N266 L267 M327S261-N264 PolarHBondContact OG-N 2.86Å; N264-N266 PolarHBondContact O-N 2.9Å; N264-N266 VanDerWaalsContact O-N 3.15Å; N264-N266 PolarHBondContact OD1-N 2.87Å; N264-L267 HydrophobicContact CB-CB 3.96Å; N264-L267 PolarHBondContact O-N 2.87Å; N264-M327 HydrophobicContact CB-CE 4.23Å; N264-M327 WeakPolarHBondContact ND2-CE 3.44Å
265E91.7Very high88.9Confident67 Ų6723.4 Ų23.431%0.31314%0.137SC..THydrogen-bonded Turntrans-68.1-9.9-17965.1151.2-179.300115T220 N221 K224 W260T220-E265 WeakPolarHBondContact OG1-CA 3.39Å; T220-E265 VanDerWaalsContact OG1-CB 3.27Å; T220-E265 WeakPolarHBondContact OG1-CB 3.38Å; N221-E265 HydrophobicContact CB-CB 4.13Å; N221-E265 VanDerWaalsContact CB-OE2 3.23Å; N221-E265 WeakPolarHBondContact CB-OE2 3.32Å; N221-E265 PolarHBondContact ND2-OE2 3.03Å; K224-E265 VanDerWaalsContact NZ-CD 3.31Å; K224-E265 IonicContact NZ-OE1 3.65Å; K224-E265 IonicContact NZ-OE2 3.16Å; K224-E265 PolarHBondContact NZ-OE2 2.9Å; W260-E265 VanDerWaalsContact CE2-O 3.28Å; W260-E265 WeakPolarHBondContact CZ2-O 3.45Å; W260-E265 VanDerWaalsContact NE1-C 3.26Å; W260-E265 PolarHBondContact NE1-O 3.03Å
266N92.5Very high87.3Confident43 Ų4333.6 Ų33.623%0.2318%0.181CC..THydrogen-bonded Turntrans-108.1-6.2179.8-63.7-40.9000112.7K224 N264 H285 L286K224-N266 PolarHBondContact NZ-OD1 2.75Å; K224-N266 VanDerWaalsContact NZ-OD1 3.1Å; N264-N266 PolarHBondContact O-N 2.9Å; N264-N266 VanDerWaalsContact O-N 3.15Å; N264-N266 PolarHBondContact OD1-N 2.87Å; N266-H285 VanDerWaalsContact CB-NE2 3.32Å; N266-H285 WeakPolarHBondContact CB-NE2 2.95Å; N266-H285 CarbonylContact O-C 3.48Å; N266-H285 VanDerWaalsContact O-CA 3.23Å; N266-H285 WeakPolarHBondContact O-CA 3.16Å; N266-L286 HydrophobicContact CB-CB 4.31Å; N266-L286 PolarHBondContact O-N 3.39Å
267L94.4Very high85.5Confident0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-103.6132.4-177.6-168.971.6000110.5S261 N264 I283 H284 I292 W305 P310 M327S261-L267 WeakPolarHBondContact CB-O 3.19Å; S261-L267 PolarHBondContact N-O 2.8Å; N264-L267 HydrophobicContact CB-CB 3.96Å; N264-L267 PolarHBondContact O-N 2.87Å; L267-I283 HydrophobicContact CD1-CG2 3.55Å; L267-I283 HydrophobicContact CG-CG2 4.19Å; L267-H284 WeakPolarHBondContact CA-O 3.33Å; L267-I292 HydrophobicContact CD1-CD1 3.65Å; L267-W305 HydrophobicContact CD1-CH2 4.29Å; L267-W305 HydrophobicContact CD2-CE3 4.27Å; L267-W305 HydrophobicContact CD2-CH2 3.33Å; L267-W305 HydrophobicContact CD2-CZ2 4.25Å; L267-W305 HydrophobicContact CD2-CZ3 3.34Å; L267-W305 HydrophobicContact CG-CH2 3.54Å; L267-W305 HydrophobicContact CG-CZ2 4.08Å; L267-W305 HydrophobicContact CG-CZ3 4.08Å; L267-P310 HydrophobicContact CD2-CB 3.94Å; L267-M327 HydrophobicContact CB-CE 3.87Å; L267-M327 HydrophobicContact CD1-CE 3.81Å; L267-M327 HydrophobicContact CD1-SD 4.1Å; L267-M327 HydrophobicContact CD2-CE 3.94Å; L267-M327 HydrophobicContact CG-CE 4.1Å
268F95.4Very high84.1Confident0 Ų039.1 Ų39.10%022%0.217CC..EExtended strand (participates in β ladder)trans-150.9157173.862.3-85.9000110.9W233 I235 F258 R259 T270 H284 L286W233-F268 HydrophobicContact CD2-CE2 4.08Å; W233-F268 AromaticContact CD2-CZ 3.99Å; W233-F268 HydrophobicContact CD2-CZ 3.99Å; W233-F268 AromaticContact CE2-CZ 3.85Å; W233-F268 HydrophobicContact CE3-CZ 4.14Å; W233-F268 HydrophobicContact CG-CE2 4.2Å; W233-F268 HydrophobicContact CH2-CZ 4.07Å; W233-F268 AromaticContact CZ2-CZ 3.87Å; W233-F268 HydrophobicContact CZ2-CZ 3.87Å; W233-F268 HydrophobicContact CZ3-CZ 4.2Å; I235-F268 HydrophobicContact CD1-CE1 4.34Å; I235-F268 HydrophobicContact CD1-CZ 4.38Å; F258-F268 HydrophobicContact CD2-CD2 4.06Å; F258-F268 HydrophobicContact CD2-CE2 4.42Å; F258-F268 HydrophobicContact CE1-CB 4.17Å; F258-F268 HydrophobicContact CE1-CD2 4.47Å; F258-F268 HydrophobicContact CE1-CG 4.49Å; F258-F268 HydrophobicContact CE2-CB 4.39Å; F258-F268 AromaticContact CE2-CD2 3.22Å; F258-F268 HydrophobicContact CE2-CD2 3.22Å; F258-F268 AromaticContact CE2-CE2 3.53Å; F258-F268 HydrophobicContact CE2-CE2 3.53Å; F258-F268 AromaticContact CE2-CG 3.91Å; F258-F268 HydrophobicContact CE2-CG 3.91Å; F258-F268 HydrophobicContact CE2-CZ 4.42Å; F258-F268 HydrophobicContact CZ-CB 3.76Å; F258-F268 HydrophobicContact CZ-CD1 4.37Å; F258-F268 AromaticContact CZ-CD2 3.46Å; F258-F268 HydrophobicContact CZ-CD2 3.46Å; F258-F268 VanDerWaalsContact CZ-CD2 3.46Å; F258-F268 HydrophobicContact CZ-CE2 4.08Å; F258-F268 AromaticContact CZ-CG 3.61Å; F258-F268 HydrophobicContact CZ-CG 3.61Å; R259-F268 WeakPolarHBondContact O-CA 3.48Å; R259-F268 WeakPolarHBondContact O-CB 3.34Å; F268-T270 HydrophobicContact CD2-CG2 4.13Å; F268-T270 HydrophobicContact CE2-CG2 4.21Å; F268-H284 HydrophobicContact CD1-CB 4.13Å; F268-H284 HydrophobicContact CD2-CB 3.97Å; F268-H284 HydrophobicContact CE1-CB 3.62Å; F268-H284 HydrophobicContact CE2-CB 3.46Å; F268-H284 VanDerWaalsContact CE2-CB 3.46Å; F268-H284 AromaticContact CE2-CG 3.66Å; F268-H284 AromaticContact CE2-ND1 3.65Å; F268-H284 HydrophobicContact CG-CB 4.3Å; F268-H284 HydrophobicContact CZ-CB 3.27Å; F268-H284 AromaticContact CZ-CG 3.8Å; F268-H284 PolarHBondContact N-O 3.39Å; F268-H284 VanDerWaalsContact N-O 3.08Å; F268-H284 PolarHBondContact O-N 3.17Å; F268-L286 HydrophobicContact CD1-CD2 4.44Å; F268-L286 HydrophobicContact CE1-CD2 3.66Å; F268-L286 HydrophobicContact CE1-CG 4.09Å; F268-L286 HydrophobicContact CZ-CD2 4.45Å
269A94.6Very high83Confident0 Ų039.1 Ų39.10%022%0.218CC..EExtended strand (participates in β ladder)trans-118.5146178.700000110.4R259 F282 I283 L303 W305R259-A269 PolarHBondContact N-O 3.49Å; R259-A269 PolarHBondContact O-N 2.94Å; A269-F282 CarbonylContact C-O 3.48Å; A269-F282 WeakPolarHBondContact CA-O 3.49Å; A269-I283 HydrophobicContact CB-CG1 4.46Å; A269-L303 HydrophobicContact CB-CD1 3.87Å; A269-L303 HydrophobicContact CB-CD2 3.73Å; A269-L303 HydrophobicContact CB-CG 4.36Å; A269-W305 HydrophobicContact CB-CZ2 3.5Å; A269-W305 VanDerWaalsContact CB-CZ2 3.5Å
270T93.3Very high82.5Confident0 Ų041.5 Ų41.50%023%0.23CC..EExtended strand (participates in β ladder)trans-130.1142.6172.8640000109.7V228 W233 H251 L257 F258 F268 F282 H284V228-T270 HydrophobicContact CG1-CG2 3.99Å; W233-T270 HydrophobicContact CB-CG2 4.48Å; H251-T270 PolarHBondContact NE2-OG1 2.97Å; L257-T270 WeakPolarHBondContact O-CA 3.4Å; F258-T270 HydrophobicContact CD2-CG2 3.71Å; F258-T270 HydrophobicContact CE2-CG2 4.29Å; F258-T270 HydrophobicContact CG-CG2 4.48Å; F268-T270 HydrophobicContact CD2-CG2 4.13Å; F268-T270 HydrophobicContact CE2-CG2 4.21Å; T270-F282 PolarHBondContact N-O 2.78Å; T270-F282 PolarHBondContact O-N 2.79Å; T270-H284 PolarHBondContact OG1-CE1 3.28Å
271T90.9Very high82.1Confident2 Ų241.3 Ų41.31%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-114.5145172.963.10000110.6R256 L257 Q280 V281 L303 V314R256-T271 PolarHBondContact N-O 3.4Å; L257-T271 WeakPolarHBondContact CB-OG1 3.31Å; L257-T271 PolarHBondContact N-OG1 3.15Å; L257-T271 PolarHBondContact O-N 2.79Å; L257-T271 VanDerWaalsContact O-N 3.1Å; T271-Q280 WeakPolarHBondContact CA-O 3.44Å; T271-V281 HydrophobicContact CG2-CG1 4.43Å; T271-V281 HydrophobicContact CG2-CG2 4.17Å; T271-L303 HydrophobicContact CG2-CB 4.19Å; T271-L303 HydrophobicContact CG2-CD1 4.46Å; T271-L303 HydrophobicContact CG2-CD2 4.09Å; T271-L303 HydrophobicContact CG2-CG 4.47Å; T271-V314 HydrophobicContact CG2-CG2 4.4Å
272G86.9Confident81.9Confident4 Ų442.1 Ų42.14%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-76.6157.5171.100000111.1H251 K254 Q280H251-G272 PolarHBondContact CE1-N 2.93Å; H251-G272 WeakPolarHBondContact ND1-CA 3.38Å; H251-G272 PolarHBondContact ND1-N 2.81Å; K254-G272 CarbonylContact O-C 3.56Å; K254-G272 WeakPolarHBondContact O-CA 3.29Å; G272-Q280 PolarHBondContact N-O 2.84Å
273C79.1Confident82.1Confident37 Ų3740.1 Ų40.125%0.2522%0.222CC..PPolyproline II helixtrans-58.9139.7163.6-70.30000108.7K254 G275K254-C273 PolarHBondContact O-N 2.86Å; C273-G275 PolarHBondContact O-N 3.36Å
274P67.1Low82.3Confident51 Ų5138.5 Ų38.533%0.33121%0.208SC..PPolyproline II helixtrans-57.5116.7174.4-1727.2000110.1S279 V299P274-S279 WeakPolarHBondContact CA-OG 3.37Å; P274-S279 WeakPolarHBondContact CB-OG 3.24Å; P274-V299 HydrophobicContact CB-CB 4.27Å; P274-V299 HydrophobicContact CB-CG1 3.52Å; P274-V299 HydrophobicContact CG-CG1 3.89Å
275G62.5Low82.4Confident36 Ų3637.7 Ų37.737%0.37120%0.202SC..  trans-75.5-160.2171.400000111.2C273 I277 S278C273-G275 PolarHBondContact O-N 3.36Å; G275-I277 PolarHBondContact O-N 3.08Å; G275-S278 PolarHBondContact N-O 3.1Å
276K53.8Low82.3Confident214 Ų21435.5 Ų35.593%0.9319%0.193SC*.SBendtrans-67.7-19.8176.2-74.6-175.5178179.80114.2
277I51.6Low82Confident145 Ų14536.4 Ų36.474%0.74421%0.212SC*.SBendtrans-137.6-40.5-168.8-49.8-179.8000113.1G275G275-I277 PolarHBondContact O-N 3.08Å
278S63.5Low81.5Confident55 Ų5541.1 Ų41.139%0.38523%0.234SC..  trans-148.8156.5-179.658.70000112.4G275 S297G275-S278 PolarHBondContact N-O 3.1Å; S278-S297 WeakPolarHBondContact CA-O 3.48Å
279S72Confident80.9Confident1 Ų146.1 Ų46.11%0.00727%0.266CS..EExtended strand (participates in β ladder)trans-100133163.9-57.10000108.6P274 S297 G300P274-S279 WeakPolarHBondContact CA-OG 3.37Å; P274-S279 WeakPolarHBondContact CB-OG 3.24Å; S279-S297 PolarHBondContact N-O 3.03Å; S279-S297 PolarHBondContact O-N 3.03Å; S279-G300 PolarHBondContact OG-N 3.39Å
280Q84.2Confident80.4Confident75 Ų7553 Ų5335%0.3530%0.298SS..EExtended strand (participates in β ladder)trans-82141.9170.8-66.1-177.1-4400109.9H251 T271 G272 F282H251-Q280 PolarHBondContact CE1-O 3.27Å; T271-Q280 WeakPolarHBondContact CA-O 3.44Å; G272-Q280 PolarHBondContact N-O 2.84Å; Q280-F282 HydrophobicContact CB-CE1 4.03Å; Q280-F282 HydrophobicContact CB-CE2 4.41Å; Q280-F282 HydrophobicContact CB-CZ 3.88Å; Q280-F282 HydrophobicContact CG-CZ 4.41Å
281V88.8Confident80Confident2 Ų254.9 Ų54.91%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-117.7124.6172.9-177.20000106.7T271 G295 V314 W323T271-V281 HydrophobicContact CG2-CG1 4.43Å; T271-V281 HydrophobicContact CG2-CG2 4.17Å; V281-G295 PolarHBondContact N-O 2.91Å; V281-G295 PolarHBondContact O-N 3.38Å; V281-V314 HydrophobicContact CG1-CG2 4.08Å; V281-V314 HydrophobicContact CG2-CB 4.47Å; V281-V314 HydrophobicContact CG2-CG1 4.27Å; V281-V314 HydrophobicContact CG2-CG2 3.94Å; V281-W323 HydrophobicContact CG2-CH2 4.23Å; V281-W323 HydrophobicContact CG2-CZ2 4.41Å
282F90.8Very high79.8Confident18 Ų1857.1 Ų57.18%0.07932%0.322CS..EExtended strand (participates in β ladder)trans-118.3124.9176.9-61.6-36.7000109.8A250 H251 A269 T270 Q280 H284 P291 M293 I294A250-F282 WeakPolarHBondContact O-CD2 3.22Å; A250-F282 WeakPolarHBondContact O-CE2 3.37Å; H251-F282 AromaticContact CE1-CD2 3.16Å; H251-F282 WeakPolarHBondContact CE1-CD2 3.42Å; H251-F282 AromaticContact CE1-CE2 3.36Å; H251-F282 WeakPolarHBondContact CE1-CE2 3.33Å; H251-F282 AromaticContact CE1-CG 3.88Å; H251-F282 AromaticContact CG-CE2 3.92Å; H251-F282 AromaticContact ND1-CD2 3.64Å; H251-F282 AromaticContact ND1-CE2 3.32Å; H251-F282 VanDerWaalsContact ND1-CE2 3.32Å; H251-F282 WeakPolarHBondContact ND1-CE2 3.31Å; H251-F282 AromaticContact NE2-CD2 3.45Å; H251-F282 WeakPolarHBondContact NE2-CD2 3.47Å; H251-F282 AromaticContact NE2-CE2 3.97Å; A269-F282 CarbonylContact C-O 3.48Å; A269-F282 WeakPolarHBondContact CA-O 3.49Å; T270-F282 PolarHBondContact N-O 2.78Å; T270-F282 PolarHBondContact O-N 2.79Å; Q280-F282 HydrophobicContact CB-CE1 4.03Å; Q280-F282 HydrophobicContact CB-CE2 4.41Å; Q280-F282 HydrophobicContact CB-CZ 3.88Å; Q280-F282 HydrophobicContact CG-CZ 4.41Å; F282-H284 WeakPolarHBondContact CB-CE1 3.06Å; F282-H284 PolarHBondContact O-ND1 2.97Å; F282-P291 HydrophobicContact CB-CB 4.12Å; F282-M293 WeakPolarHBondContact CA-O 3.35Å; F282-I294 HydrophobicContact CD1-CB 4.06Å; F282-I294 HydrophobicContact CD1-CG1 3.68Å; F282-I294 HydrophobicContact CD1-CG2 3.92Å; F282-I294 HydrophobicContact CE1-CB 4.07Å; F282-I294 HydrophobicContact CE1-CD1 4.25Å; F282-I294 HydrophobicContact CE1-CG1 3.75Å; F282-I294 HydrophobicContact CE1-CG2 3.5Å; F282-I294 VanDerWaalsContact CE1-CG2 3.5Å
283I92.1Very high79.6Confident1 Ų157.5 Ų57.51%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-99.5125.9169.9-51.3177.6000107.6L267 A269 P291 I292 M293 W305 W323 T325L267-I283 HydrophobicContact CD1-CG2 3.55Å; L267-I283 HydrophobicContact CG-CG2 4.19Å; A269-I283 HydrophobicContact CB-CG1 4.46Å; I283-P291 CarbonylContact O-C 3.41Å; I283-P291 VanDerWaalsContact O-CA 3.31Å; I283-P291 WeakPolarHBondContact O-CA 3.19Å; I283-P291 WeakPolarHBondContact O-CB 3.23Å; I283-I292 HydrophobicContact CB-CG1 4.26Å; I283-I292 HydrophobicContact CG2-CD1 4.07Å; I283-I292 HydrophobicContact CG2-CG1 4.05Å; I283-I292 WeakPolarHBondContact O-CG1 3.31Å; I283-I292 PolarHBondContact O-N 3.25Å; I283-M293 HydrophobicContact CB-CB 4.11Å; I283-M293 HydrophobicContact CD1-CB 4.18Å; I283-M293 HydrophobicContact CD1-CG 4.42Å; I283-M293 HydrophobicContact CD1-SD 3.96Å; I283-M293 HydrophobicContact CG1-CB 4.33Å; I283-M293 PolarHBondContact N-O 3.39Å; I283-M293 PolarHBondContact O-N 2.94Å; I283-W305 HydrophobicContact CD1-CH2 4.47Å; I283-W305 HydrophobicContact CG2-CH2 3.73Å; I283-W305 HydrophobicContact CG2-CZ2 4.16Å; I283-W323 HydrophobicContact CD1-CB 3.85Å; I283-T325 HydrophobicContact CB-CG2 4.23Å; I283-T325 HydrophobicContact CD1-CG2 3.52Å; I283-T325 HydrophobicContact CG1-CG2 4.47Å; I283-T325 HydrophobicContact CG2-CG2 3.87Å
284H92.6Very high79.9Confident8 Ų857.5 Ų57.54%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-116.6149.1-176-63.790.2000110.2W233 L267 F268 T270 F282W233-H284 AromaticContact CD1-CE1 3.89Å; W233-H284 AromaticContact CD1-NE2 3.85Å; W233-H284 AromaticContact NE1-CD2 3.53Å; W233-H284 AromaticContact NE1-CE1 3.7Å; W233-H284 AromaticContact NE1-NE2 3.24Å; W233-H284 PolarHBondContact NE1-NE2 3.1Å; L267-H284 WeakPolarHBondContact CA-O 3.33Å; F268-H284 HydrophobicContact CD1-CB 4.13Å; F268-H284 HydrophobicContact CD2-CB 3.97Å; F268-H284 HydrophobicContact CE1-CB 3.62Å; F268-H284 HydrophobicContact CE2-CB 3.46Å; F268-H284 VanDerWaalsContact CE2-CB 3.46Å; F268-H284 AromaticContact CE2-CG 3.66Å; F268-H284 AromaticContact CE2-ND1 3.65Å; F268-H284 HydrophobicContact CG-CB 4.3Å; F268-H284 HydrophobicContact CZ-CB 3.27Å; F268-H284 AromaticContact CZ-CG 3.8Å; F268-H284 PolarHBondContact N-O 3.39Å; F268-H284 VanDerWaalsContact N-O 3.08Å; F268-H284 PolarHBondContact O-N 3.17Å; T270-H284 PolarHBondContact OG1-CE1 3.28Å; F282-H284 WeakPolarHBondContact CB-CE1 3.06Å; F282-H284 PolarHBondContact O-ND1 2.97Å
285H92.6Very high80.4Confident33 Ų3355.2 Ų55.215%0.15331%0.305CS..EExtended strand (participates in β ladder)trans-122130.9167.9-176.2-96.1000108.8N266 G287 H288 I292 M327N266-H285 VanDerWaalsContact CB-NE2 3.32Å; N266-H285 WeakPolarHBondContact CB-NE2 2.95Å; N266-H285 CarbonylContact O-C 3.48Å; N266-H285 VanDerWaalsContact O-CA 3.23Å; N266-H285 WeakPolarHBondContact O-CA 3.16Å; H285-G287 PolarHBondContact ND1-N 3.28Å; H285-G287 VanDerWaalsContact ND1-N 3.15Å; H285-G287 PolarHBondContact O-N 2.82Å; H285-G287 VanDerWaalsContact O-N 3.11Å; H285-H288 AromaticContact CG-CD2 3.99Å; H285-H288 AromaticContact ND1-CD2 3.55Å; H285-H288 PolarHBondContact O-N 2.92Å; H285-I292 HydrophobicContact CB-CD1 4.41Å; H285-I292 HydrophobicContact CB-CG2 3.93Å; H285-M327 HydrophobicContact CB-SD 4.48Å; H285-M327 PolarHBondContact CD2-SD 2.8Å
286L89.6Confident81.2Confident21 Ų2156 Ų5611%0.1131%0.305CS..THydrogen-bonded Turntrans-57.3-30.4-175.9-70.3176.3000113.1K224 I235 W260 N266 F268 H288K224-L286 HydrophobicContact CD-CD1 4.35Å; I235-L286 HydrophobicContact CD1-CD2 4.31Å; I235-L286 HydrophobicContact CG1-CD2 3.87Å; I235-L286 HydrophobicContact CG2-CD2 4.43Å; W260-L286 HydrophobicContact CH2-CD1 4.3Å; W260-L286 HydrophobicContact CZ2-CD1 3.98Å; N266-L286 HydrophobicContact CB-CB 4.31Å; N266-L286 PolarHBondContact O-N 3.39Å; F268-L286 HydrophobicContact CD1-CD2 4.44Å; F268-L286 HydrophobicContact CE1-CD2 3.66Å; F268-L286 HydrophobicContact CE1-CG 4.09Å; F268-L286 HydrophobicContact CZ-CD2 4.45Å; L286-H288 VanDerWaalsContact C-N 3.28Å; L286-H288 PolarHBondContact O-N 2.81Å
287G85.6Confident81.9Confident61 Ų6145.9 Ų45.963%0.62926%0.262SS*.THydrogen-bonded Turntrans-73.3-10.617600000115.6H285H285-G287 PolarHBondContact ND1-N 3.28Å; H285-G287 VanDerWaalsContact ND1-N 3.15Å; H285-G287 PolarHBondContact O-N 2.82Å; H285-G287 VanDerWaalsContact O-N 3.11Å
288H85.1Confident82.5Confident100 Ų10040.8 Ų40.846%0.46324%0.239SC..  trans-114.4139.1-177.7-71-74.9000111.8R248 H285 L286 I292R248-H288 PolarHBondContact NH1-O 3.09Å; H285-H288 AromaticContact CG-CD2 3.99Å; H285-H288 AromaticContact ND1-CD2 3.55Å; H285-H288 PolarHBondContact O-N 2.92Å; L286-H288 VanDerWaalsContact C-N 3.28Å; L286-H288 PolarHBondContact O-N 2.81Å; H288-I292 HydrophobicContact CB-CG2 4.28Å
289P82.3Confident82.5Confident105 Ų10540.6 Ų40.668%0.68224%0.235SC*.SBendtrans-68.2-34.7-179.725.6-32.8000112.9R248R248-P289 PolarHBondContact NH1-O 2.91Å
290Q84.8Confident81.9Confident143 Ų14340.6 Ų40.667%0.66824%0.235SC*.SBendtrans-108.3157.5-177.8-69.8-173.2-6.700110.9I292Q290-I292 PolarHBondContact O-N 3Å
291P83.9Confident81.3Confident40 Ų4037.3 Ų37.326%0.2622%0.221SC..  trans-58.5137.417225.4-34.5000110.5F282 I283 M293 I294F282-P291 HydrophobicContact CB-CB 4.12Å; I283-P291 CarbonylContact O-C 3.41Å; I283-P291 VanDerWaalsContact O-CA 3.31Å; I283-P291 WeakPolarHBondContact O-CA 3.19Å; I283-P291 WeakPolarHBondContact O-CB 3.23Å; P291-M293 VanDerWaalsContact C-N 3.3Å; P291-I294 HydrophobicContact CB-CG1 4.4Å; P291-I294 HydrophobicContact CG-CD1 4.16Å; P291-I294 HydrophobicContact CG-CG1 3.94Å
292I87.3Confident81.1Confident50 Ų5037.6 Ų37.626%0.25622%0.224SC..SBendtrans-75.5-24.9178.458.6168.2000111.6L267 I283 H285 H288 Q290 T325 M327L267-I292 HydrophobicContact CD1-CD1 3.65Å; I283-I292 HydrophobicContact CB-CG1 4.26Å; I283-I292 HydrophobicContact CG2-CD1 4.07Å; I283-I292 HydrophobicContact CG2-CG1 4.05Å; I283-I292 WeakPolarHBondContact O-CG1 3.31Å; I283-I292 PolarHBondContact O-N 3.25Å; H285-I292 HydrophobicContact CB-CD1 4.41Å; H285-I292 HydrophobicContact CB-CG2 3.93Å; H288-I292 HydrophobicContact CB-CG2 4.28Å; Q290-I292 PolarHBondContact O-N 3Å; I292-T325 HydrophobicContact CD1-CG2 3.94Å; I292-T325 HydrophobicContact CG1-CG2 4.47Å; I292-M327 HydrophobicContact CD1-CG 4.46Å; I292-M327 HydrophobicContact CD1-SD 4.41Å
293M83.2Confident81.2Confident12 Ų1236.8 Ų36.86%0.05922%0.221CC..EExtended strand (participates in β ladder)trans-143.6136.4176.3-176.2174.7-69.600111F282 I283 P291 W323 M324 T325F282-M293 WeakPolarHBondContact CA-O 3.35Å; I283-M293 HydrophobicContact CB-CB 4.11Å; I283-M293 HydrophobicContact CD1-CB 4.18Å; I283-M293 HydrophobicContact CD1-CG 4.42Å; I283-M293 HydrophobicContact CD1-SD 3.96Å; I283-M293 HydrophobicContact CG1-CB 4.33Å; I283-M293 PolarHBondContact N-O 3.39Å; I283-M293 PolarHBondContact O-N 2.94Å; P291-M293 VanDerWaalsContact C-N 3.3Å; M293-W323 HydrophobicContact SD-CB 3.78Å; M293-W323 HydrophobicContact SD-CG 4.07Å; M293-M324 WeakPolarHBondContact CE-O 3.49Å; M293-T325 HydrophobicContact CB-CG2 4.27Å; M293-T325 HydrophobicContact CE-CG2 4.04Å; M293-T325 HydrophobicContact SD-CG2 4.31Å
294I83.9Confident81.3Confident37 Ų3737 Ų3719%0.1922%0.222CC..EExtended strand (participates in β ladder)trans-117.2111.3173.9-62.2172.7000107.7L5 T6 R7 F282 P291L5-I294 HydrophobicContact CB-CD1 4.29Å; T6-I294 CarbonylContact C-O 3.58Å; T6-I294 WeakPolarHBondContact CA-O 3.46Å; T6-I294 HydrophobicContact CG2-CG2 4.02Å; R7-I294 PolarHBondContact N-O 3.47Å; F282-I294 HydrophobicContact CD1-CB 4.06Å; F282-I294 HydrophobicContact CD1-CG1 3.68Å; F282-I294 HydrophobicContact CD1-CG2 3.92Å; F282-I294 HydrophobicContact CE1-CB 4.07Å; F282-I294 HydrophobicContact CE1-CD1 4.25Å; F282-I294 HydrophobicContact CE1-CG1 3.75Å; F282-I294 HydrophobicContact CE1-CG2 3.5Å; F282-I294 VanDerWaalsContact CE1-CG2 3.5Å; P291-I294 HydrophobicContact CB-CG1 4.4Å; P291-I294 HydrophobicContact CG-CD1 4.16Å; P291-I294 HydrophobicContact CG-CG1 3.94Å
295G79Confident81.4Confident2 Ų236.8 Ų36.82%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-101.8156.8172.600000111.5V281V281-G295 PolarHBondContact N-O 2.91Å; V281-G295 PolarHBondContact O-N 3.38Å
296S78.3Confident81.5Confident53 Ų5335.2 Ų35.237%0.37121%0.213SC..EExtended strand (participates in β ladder)trans-123.4136.2165.565.90000109.5
297S69.3Low81.5Confident2 Ų238 Ų381%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-129.8141.1173.8-172.50000109.6S278 S279 V299S278-S297 WeakPolarHBondContact CA-O 3.48Å; S279-S297 PolarHBondContact N-O 3.03Å; S279-S297 PolarHBondContact O-N 3.03Å; S297-V299 PolarHBondContact O-N 2.8Å
298S64.3Low81.7Confident37 Ų3739.8 Ų39.826%0.25922%0.215SC..THydrogen-bonded Turntrans-67.810217543.60000108.4D317 K319S298-D317 PolarHBondContact O-N 2.81Å; S298-K319 VanDerWaalsContact OG-CE 3.24Å; S298-K319 WeakPolarHBondContact OG-CE 3.42Å; S298-K319 PolarHBondContact OG-NZ 3.02Å
299V62.7Low81.9Confident52 Ų5236.3 Ų36.332%0.31520%0.2SC..THydrogen-bonded Turntrans45.479.8-177.4-172.90000110.6Y18 P274 S297Y18-V299 HydrophobicContact CE2-CB 4.09Å; Y18-V299 HydrophobicContact CE2-CG1 4.01Å; Y18-V299 WeakPolarHBondContact CE2-O 3.43Å; Y18-V299 VanDerWaalsContact CZ-O 3.29Å; Y18-V299 VanDerWaalsContact OH-CG1 3.26Å; Y18-V299 WeakPolarHBondContact OH-CG1 3.32Å; Y18-V299 PolarHBondContact OH-O 3.09Å; P274-V299 HydrophobicContact CB-CB 4.27Å; P274-V299 HydrophobicContact CB-CG1 3.52Å; P274-V299 HydrophobicContact CG-CG1 3.89Å; S297-V299 PolarHBondContact O-N 2.8Å
300G59.6Low82.3Confident1 Ų133.1 Ų33.11%0.0118%0.179CC..  trans-74.6131.1-177.100000113.4R256 S279 G315R256-G300 PolarHBondContact NH1-O 3.27Å; R256-G300 VanDerWaalsContact NH1-O 3.17Å; S279-G300 PolarHBondContact OG-N 3.39Å; G300-G315 CarbonylContact C-O 3.46Å; G300-G315 WeakPolarHBondContact CA-O 3.45Å
301S72.8Confident82.7Confident6 Ų626.3 Ų26.34%0.04215%0.148CC..EExtended strand (participates in β ladder)trans-134.4136.5172.1-69.20000111.4Y18 V19 H20 R256 G315Y18-S301 WeakPolarHBondContact OH-CB 3.32Å; Y18-S301 PolarHBondContact OH-OG 2.87Å; V19-S301 VanDerWaalsContact O-CB 3.31Å; V19-S301 WeakPolarHBondContact O-CB 3.37Å; H20-S301 CarbonylContact O-C 3.59Å; H20-S301 VanDerWaalsContact O-CB 3.25Å; H20-S301 WeakPolarHBondContact O-CB 3.23Å; R256-S301 PolarHBondContact NH1-OG 3.18Å; S301-G315 PolarHBondContact N-O 2.59Å; S301-G315 CarbonylContact O-C 3.51Å; S301-G315 WeakPolarHBondContact O-CA 3.32Å; S301-G315 PolarHBondContact O-N 2.82Å; S301-G315 VanDerWaalsContact O-N 3.13Å
302G83.3Confident83.2Confident8 Ų824.4 Ų24.48%0.08214%0.135CC..EExtended strand (participates in β ladder)trans75.2146.9-169.400000113.4H20 V314H20-G302 PolarHBondContact O-N 2.79Å; G302-V314 WeakPolarHBondContact O-CG1 3.13Å
303L92.9Very high83.5Confident1 Ų122 Ų221%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-150.6127.1175.516968.4000106.8L257 R259 A269 T271 C312 V313 V314L257-L303 HydrophobicContact CB-CB 4.36Å; L257-L303 HydrophobicContact CB-CD2 4.29Å; L257-L303 HydrophobicContact CD1-CB 3.77Å; R259-L303 HydrophobicContact CB-CD2 3.75Å; R259-L303 HydrophobicContact CB-CG 4.06Å; R259-L303 HydrophobicContact CG-CB 4.31Å; R259-L303 HydrophobicContact CG-CD2 3.79Å; R259-L303 HydrophobicContact CG-CG 3.9Å; R259-L303 WeakPolarHBondContact CG-O 3.23Å; A269-L303 HydrophobicContact CB-CD1 3.87Å; A269-L303 HydrophobicContact CB-CD2 3.73Å; A269-L303 HydrophobicContact CB-CG 4.36Å; T271-L303 HydrophobicContact CG2-CB 4.19Å; T271-L303 HydrophobicContact CG2-CD1 4.46Å; T271-L303 HydrophobicContact CG2-CD2 4.09Å; T271-L303 HydrophobicContact CG2-CG 4.47Å; L303-C312 HydrophobicContact CD1-CB 4.24Å; L303-V313 WeakPolarHBondContact CA-O 3.1Å; L303-V314 HydrophobicContact CD1-CG2 3.63Å
304S95Very high84Confident4 Ų421.4 Ų21.43%0.02812%0.12CC..EExtended strand (participates in β ladder)trans-142.8151.8175.51800000110.9V22 E23 F24 C312 V313V22-S304 WeakPolarHBondContact O-CB 3.31Å; E23-S304 PolarHBondContact OE2-OG 3.03Å; F24-S304 PolarHBondContact N-OG 2.88Å; S304-C312 CarbonylContact O-C 3.24Å; S304-C312 VanDerWaalsContact O-CA 3.3Å; S304-C312 WeakPolarHBondContact O-CA 3.3Å; S304-C312 WeakPolarHBondContact O-CB 3.07Å; S304-V313 PolarHBondContact N-O 2.92Å; S304-V313 PolarHBondContact O-N 3.11Å
305W95.3Very high84.2Confident4 Ų419.7 Ų19.72%0.01511%0.111CC..EExtended strand (participates in β ladder)trans-99.2145.6173.7-75.894.3000111.1F24 R259 I262 L267 A269 I283 L311 C312F24-W305 WeakPolarHBondContact CB-O 3.27Å; F24-W305 WeakPolarHBondContact CD2-O 3.46Å; R259-W305 PolarHBondContact O-NE1 3.24Å; I262-W305 HydrophobicContact CG1-CB 4.48Å; L267-W305 HydrophobicContact CD1-CH2 4.29Å; L267-W305 HydrophobicContact CD2-CE3 4.27Å; L267-W305 HydrophobicContact CD2-CH2 3.33Å; L267-W305 HydrophobicContact CD2-CZ2 4.25Å; L267-W305 HydrophobicContact CD2-CZ3 3.34Å; L267-W305 HydrophobicContact CG-CH2 3.54Å; L267-W305 HydrophobicContact CG-CZ2 4.08Å; L267-W305 HydrophobicContact CG-CZ3 4.08Å; A269-W305 HydrophobicContact CB-CZ2 3.5Å; A269-W305 VanDerWaalsContact CB-CZ2 3.5Å; I283-W305 HydrophobicContact CD1-CH2 4.47Å; I283-W305 HydrophobicContact CG2-CH2 3.73Å; I283-W305 HydrophobicContact CG2-CZ2 4.16Å; W305-L311 VanDerWaalsContact CE3-O 3.3Å; W305-C312 HydrophobicContact CD2-CB 3.69Å; W305-C312 HydrophobicContact CE3-CB 3.72Å; W305-C312 HydrophobicContact CG-CB 4.29Å; W305-C312 HydrophobicContact CH2-CB 4.07Å; W305-C312 HydrophobicContact CZ2-CB 4.09Å; W305-C312 HydrophobicContact CZ3-CB 3.89Å
306H93.9Very high84.6Confident0 Ų019.6 Ų19.60%011%0.11CC..  trans-67150.2167-169.8-90.6000110F24 S34 F51 E54 M308 L309 L311F24-H306 HydrophobicContact CD2-CB 4.41Å; F24-H306 AromaticContact CE1-CD2 3.78Å; F24-H306 HydrophobicContact CE2-CB 4.19Å; F24-H306 HydrophobicContact CZ-CB 4.48Å; F24-H306 AromaticContact CZ-CD2 3.88Å; S34-H306 WeakPolarHBondContact CB-NE2 3.45Å; S34-H306 PolarHBondContact OG-CE1 2.94Å; S34-H306 PolarHBondContact OG-NE2 2.82Å; F51-H306 AromaticContact CE2-CD2 3.71Å; F51-H306 AromaticContact CE2-NE2 3.96Å; E54-H306 IonicContact OE1-CE1 3.89Å; E54-H306 PolarHBondContact OE1-CE1 3.46Å; E54-H306 IonicContact OE1-NE2 3.36Å; E54-H306 IonicContact OE2-NE2 2.72Å; H306-M308 PolarHBondContact ND1-N 3.17Å; H306-M308 PolarHBondContact O-N 2.85Å; H306-L309 HydrophobicContact CB-CB 4.46Å; H306-L309 PolarHBondContact ND1-N 2.9Å; H306-L309 VanDerWaalsContact ND1-N 3.15Å; H306-L311 HydrophobicContact CB-CB 4.17Å; H306-L311 HydrophobicContact CB-CD2 4.16Å; H306-L311 VanDerWaalsContact CB-O 3.31Å; H306-L311 WeakPolarHBondContact CB-O 3.46Å; H306-L311 PolarHBondContact N-O 3.17Å
307R89.9Confident85Confident80 Ų8021.1 Ų21.130%0.30211%0.114SC..SBendtrans-67.6-38.1-172.3-173.2177.666.185.32.4113.3P26P26-R307 VanDerWaalsContact O-CD 3.28Å; P26-R307 WeakPolarHBondContact O-CD 3.3Å
308M88.6Confident86Confident98 Ų9828.3 Ų28.348%0.48314%0.141SC..SBendtrans-118.1-49.1-173-57.2-169.7-51.700113.1A263 H306A263-M308 WeakPolarHBondContact CB-O 3.38Å; H306-M308 PolarHBondContact ND1-N 3.17Å; H306-M308 PolarHBondContact O-N 2.85Å
309L90.3Very high87.3Confident27 Ų2729.6 Ų29.614%0.14114%0.142CC..SBendtrans-69.3147.8176.3-57.5177.6000112.9F51 E53 E54 H306 L311 M324F51-L309 HydrophobicContact CB-CD1 4.12Å; F51-L309 HydrophobicContact CD2-CD1 4.21Å; F51-L309 HydrophobicContact CG-CD1 4.31Å; E53-L309 HydrophobicContact CB-CD1 4.15Å; E53-L309 HydrophobicContact CB-CD2 4.1Å; E54-L309 HydrophobicContact CG-CD1 3.97Å; E54-L309 HydrophobicContact CG-CD2 4.5Å; E54-L309 HydrophobicContact CG-CG 4.37Å; H306-L309 HydrophobicContact CB-CB 4.46Å; H306-L309 PolarHBondContact ND1-N 2.9Å; H306-L309 VanDerWaalsContact ND1-N 3.15Å; L309-L311 HydrophobicContact CB-CB 4.08Å; L309-L311 PolarHBondContact O-N 2.91Å; L309-M324 HydrophobicContact CD1-CE 4.1Å
310P91.3Very high88.7Confident38 Ų3827.1 Ų27.125%0.24713%0.127CC..SBendtrans-74.556.6168.635.3-37.8000110.9L267 T325L267-P310 HydrophobicContact CD2-CB 3.94Å; P310-T325 WeakPolarHBondContact CG-O 2.83Å; P310-T325 PolarHBondContact O-N 3.24Å; P310-T325 PolarHBondContact O-OG1 3.38Å
311L93Very high90.3Very high0 Ų027.1 Ų27.10%013%0.127CC..EExtended strand (participates in β ladder)trans-123.7133.7-176.9179.9154.2000109.5Y11 F24 F51 W305 H306 L309 F322 W323 M324Y11-L311 HydrophobicContact CD2-CD1 4.28Å; Y11-L311 HydrophobicContact CE2-CD1 4.36Å; F24-L311 HydrophobicContact CE2-CD2 4.24Å; F24-L311 HydrophobicContact CZ-CD2 4.37Å; F51-L311 HydrophobicContact CD1-CD1 3.8Å; F51-L311 HydrophobicContact CE1-CD1 3.56Å; F51-L311 HydrophobicContact CE1-CD2 4.33Å; F51-L311 HydrophobicContact CG-CD1 4.4Å; F51-L311 HydrophobicContact CZ-CD1 3.98Å; F51-L311 HydrophobicContact CZ-CD2 4.01Å; W305-L311 VanDerWaalsContact CE3-O 3.3Å; H306-L311 HydrophobicContact CB-CB 4.17Å; H306-L311 HydrophobicContact CB-CD2 4.16Å; H306-L311 VanDerWaalsContact CB-O 3.31Å; H306-L311 WeakPolarHBondContact CB-O 3.46Å; H306-L311 PolarHBondContact N-O 3.17Å; L309-L311 HydrophobicContact CB-CB 4.08Å; L309-L311 PolarHBondContact O-N 2.91Å; L311-F322 HydrophobicContact CD1-CB 4.25Å; L311-F322 HydrophobicContact CD2-CB 4.13Å; L311-F322 HydrophobicContact CD2-CD1 3.7Å; L311-F322 HydrophobicContact CD2-CG 4.39Å; L311-F322 HydrophobicContact CG-CB 4.39Å; L311-W323 WeakPolarHBondContact CA-O 3.36Å; L311-M324 HydrophobicContact CB-CE 4.3Å; L311-M324 HydrophobicContact CD1-CB 4.26Å; L311-M324 HydrophobicContact CD1-CE 3.56Å
312C93.3Very high91.2Very high0 Ų026.9 Ų26.90%013%0.125CC..EExtended strand (participates in β ladder)trans-119.5152.1172.571.90000111.6L303 S304 W305 F322 W323L303-C312 HydrophobicContact CD1-CB 4.24Å; S304-C312 CarbonylContact O-C 3.24Å; S304-C312 VanDerWaalsContact O-CA 3.3Å; S304-C312 WeakPolarHBondContact O-CA 3.3Å; S304-C312 WeakPolarHBondContact O-CB 3.07Å; W305-C312 HydrophobicContact CD2-CB 3.69Å; W305-C312 HydrophobicContact CE3-CB 3.72Å; W305-C312 HydrophobicContact CG-CB 4.29Å; W305-C312 HydrophobicContact CH2-CB 4.07Å; W305-C312 HydrophobicContact CZ2-CB 4.09Å; W305-C312 HydrophobicContact CZ3-CB 3.89Å; C312-F322 CarbonylContact O-C 3.58Å; C312-F322 WeakPolarHBondContact O-CA 3.47Å; C312-W323 PolarHBondContact N-O 3.15Å; C312-W323 PolarHBondContact O-N 3.07Å
313V94.3Very high91.6Very high0 Ų026.5 Ų26.50%012%0.121CC..EExtended strand (participates in β ladder)trans-116.2139.8176.764.10000109.9V22 F24 L36 L303 S304 L320 C321 F322V22-V313 HydrophobicContact CG1-CG1 4.12Å; V22-V313 HydrophobicContact CG1-CG2 4.5Å; V22-V313 HydrophobicContact CG2-CB 4.48Å; V22-V313 HydrophobicContact CG2-CG1 3.64Å; V22-V313 HydrophobicContact CG2-CG2 3.98Å; F24-V313 HydrophobicContact CD2-CG1 3.67Å; F24-V313 HydrophobicContact CE2-CB 3.84Å; F24-V313 HydrophobicContact CE2-CG1 3.41Å; F24-V313 VanDerWaalsContact CE2-CG1 3.41Å; F24-V313 HydrophobicContact CZ-CG1 4.35Å; L36-V313 HydrophobicContact CD1-CG1 4.18Å; L303-V313 WeakPolarHBondContact CA-O 3.1Å; S304-V313 PolarHBondContact N-O 2.92Å; S304-V313 PolarHBondContact O-N 3.11Å; V313-L320 HydrophobicContact CG2-CB 4.14Å; V313-L320 HydrophobicContact CG2-CD2 4.19Å; V313-C321 WeakPolarHBondContact CA-O 3.33Å; V313-F322 HydrophobicContact CB-CD1 3.7Å; V313-F322 HydrophobicContact CB-CE1 3.73Å; V313-F322 HydrophobicContact CG2-CD1 3.73Å; V313-F322 HydrophobicContact CG2-CE1 3.46Å; V313-F322 VanDerWaalsContact CG2-CE1 3.46Å; V313-F322 HydrophobicContact CG2-CG 4.39Å; V313-F322 HydrophobicContact CG2-CZ 3.91Å
314V92.6Very high91.5Very high0 Ų027.9 Ų27.90%013%0.128CC..EExtended strand (participates in β ladder)trans-129.8131.1171.4-176.20000107.6T271 V281 G302 L303 C321 W323T271-V314 HydrophobicContact CG2-CG2 4.4Å; V281-V314 HydrophobicContact CG1-CG2 4.08Å; V281-V314 HydrophobicContact CG2-CB 4.47Å; V281-V314 HydrophobicContact CG2-CG1 4.27Å; V281-V314 HydrophobicContact CG2-CG2 3.94Å; G302-V314 WeakPolarHBondContact O-CG1 3.13Å; L303-V314 HydrophobicContact CD1-CG2 3.63Å; V314-C321 PolarHBondContact N-O 3.35Å; V314-C321 PolarHBondContact O-N 3.43Å; V314-W323 HydrophobicContact CB-CE3 4.4Å; V314-W323 HydrophobicContact CB-CH2 3.75Å; V314-W323 HydrophobicContact CB-CZ3 3.35Å; V314-W323 HydrophobicContact CG2-CE3 4.05Å; V314-W323 HydrophobicContact CG2-CH2 4.05Å; V314-W323 HydrophobicContact CG2-CZ3 3.41Å; V314-W323 VanDerWaalsContact CG2-CZ3 3.41Å
315G89.6Confident91Very high0 Ų027.9 Ų27.90%013%0.128CC..EExtended strand (participates in β ladder)trans-74141171.500000110.3G300 S301G300-G315 CarbonylContact C-O 3.46Å; G300-G315 WeakPolarHBondContact CA-O 3.45Å; S301-G315 PolarHBondContact N-O 2.59Å; S301-G315 CarbonylContact O-C 3.51Å; S301-G315 WeakPolarHBondContact O-CA 3.32Å; S301-G315 PolarHBondContact O-N 2.82Å; S301-G315 VanDerWaalsContact O-N 3.13Å
316G86.1Confident89.9Confident0 Ų037.1 Ų37.10%017%0.171CC..EExtended strand (participates in β ladder)trans-135.9-163.8173.700000111.4V19 R318 K319V19-G316 PolarHBondContact N-O 2.9Å; V19-G316 VanDerWaalsContact N-O 3.17Å; G316-R318 PolarHBondContact O-N 3.1Å; G316-K319 PolarHBondContact N-O 2.92Å
317D87.4Confident88.1Confident85 Ų8543.7 Ų43.746%0.45520%0.203SC..THydrogen-bonded Turntrans-65.4105.6172.3-172.622.8000111.6Y18 S298 K319Y18-D317 HydrophobicContact CD2-CB 4.18Å; Y18-D317 HydrophobicContact CE2-CB 4.49Å; S298-D317 PolarHBondContact O-N 2.81Å; D317-K319 PolarHBondContact O-N 3.11Å; D317-K319 VanDerWaalsContact O-N 3.13Å
318R89.6Confident88.1Confident153 Ų15341.9 Ų41.958%0.57720%0.198SC*.THydrogen-bonded Turntrans54.927.3178-61.1-176.5-171.2-178-0.6115.1C15 D17 G316C15-R318 PolarHBondContact N-O 3.35Å; C15-R318 WeakPolarHBondContact O-CB 3.36Å; D17-R318 WeakPolarHBondContact O-CA 3.3Å; G316-R318 PolarHBondContact O-N 3.1Å
319K91.6Very high88Confident65 Ų6538.9 Ų38.928%0.28318%0.183SC..EExtended strand (participates in β ladder)trans-153.7148.517865.3-169175.1-1740112.8T12 V13 S298 G316 D317T12-K319 HydrophobicContact CG2-CB 3.86Å; T12-K319 HydrophobicContact CG2-CD 4.22Å; T12-K319 HydrophobicContact CG2-CG 4.47Å; V13-K319 CarbonylContact O-C 3.49Å; V13-K319 VanDerWaalsContact O-CA 3.22Å; V13-K319 WeakPolarHBondContact O-CA 3.45Å; S298-K319 VanDerWaalsContact OG-CE 3.24Å; S298-K319 WeakPolarHBondContact OG-CE 3.42Å; S298-K319 PolarHBondContact OG-NZ 3.02Å; G316-K319 PolarHBondContact N-O 2.92Å; D317-K319 PolarHBondContact O-N 3.11Å; D317-K319 VanDerWaalsContact O-N 3.13Å
320L92.6Very high87.9Confident0 Ų039.6 Ų39.60%019%0.186CC..EExtended strand (participates in β ladder)trans-96.8124.9159.6-62.6171.3000107.7T12 V13 V19 V22 L36 Y38 V313 F322T12-L320 CarbonylContact C-O 3.54Å; T12-L320 VanDerWaalsContact CA-O 3.29Å; T12-L320 WeakPolarHBondContact CA-O 3.38Å; V13-L320 HydrophobicContact CB-CB 4.32Å; V13-L320 PolarHBondContact N-O 2.84Å; V13-L320 PolarHBondContact O-N 3.16Å; V19-L320 HydrophobicContact CB-CD2 4.49Å; V19-L320 HydrophobicContact CG1-CD2 3.96Å; V19-L320 HydrophobicContact CG2-CD2 4.14Å; V22-L320 HydrophobicContact CB-CD2 4.22Å; V22-L320 HydrophobicContact CG2-CD2 3.89Å; L36-L320 HydrophobicContact CD2-CD1 3.72Å; Y38-L320 HydrophobicContact CD1-CD1 3.84Å; Y38-L320 HydrophobicContact CE1-CD1 4.14Å; Y38-L320 HydrophobicContact CG-CD1 4.4Å; Y38-L320 HydrophobicContact CG-CD2 4.38Å; V313-L320 HydrophobicContact CG2-CB 4.14Å; V313-L320 HydrophobicContact CG2-CD2 4.19Å; L320-F322 HydrophobicContact CB-CE2 3.82Å; L320-F322 HydrophobicContact CB-CZ 3.98Å; L320-F322 HydrophobicContact CD1-CZ 4.31Å
321C92.8Very high87.7Confident1 Ų139.6 Ų39.61%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-106.7132.3174.8-710000108.5P9 V313 V314 W323P9-C321 HydrophobicContact CB-CB 3.87Å; P9-C321 HydrophobicContact CG-CB 4.27Å; V313-C321 WeakPolarHBondContact CA-O 3.33Å; V314-C321 PolarHBondContact N-O 3.35Å; V314-C321 PolarHBondContact O-N 3.43Å; C321-W323 VanDerWaalsContact C-CZ3 3.5Å; C321-W323 HydrophobicContact CB-CE3 4.27Å; C321-W323 HydrophobicContact CB-CH2 3.14Å; C321-W323 HydrophobicContact CB-CZ2 3.74Å; C321-W323 HydrophobicContact CB-CZ3 3.41Å; C321-W323 VanDerWaalsContact CB-CZ3 3.41Å; C321-W323 WeakPolarHBondContact O-CZ3 2.96Å
322F93Very high87.4Confident0 Ų042.1 Ų42.10%019%0.194CC..EExtended strand (participates in β ladder)trans-112.8131.9178.6-56.4-92.8000109P9 S10 Y11 V13 F24 L36 F51 L311 C312 V313 L320P9-F322 CarbonylContact C-O 3.55Å; S10-F322 PolarHBondContact N-O 3.45Å; Y11-F322 HydrophobicContact CD2-CB 4.27Å; Y11-F322 PolarHBondContact N-O 2.67Å; Y11-F322 PolarHBondContact O-N 3.48Å; V13-F322 HydrophobicContact CB-CE2 4.17Å; V13-F322 HydrophobicContact CG2-CE2 3.72Å; V13-F322 HydrophobicContact CG2-CZ 4.42Å; F24-F322 HydrophobicContact CE2-CE1 4.37Å; F24-F322 HydrophobicContact CZ-CD1 4.31Å; F24-F322 AromaticContact CZ-CE1 3.85Å; F24-F322 HydrophobicContact CZ-CE1 3.85Å; L36-F322 HydrophobicContact CD2-CE1 4.37Å; L36-F322 HydrophobicContact CD2-CZ 4.23Å; F51-F322 AromaticContact CE1-CD1 3.97Å; F51-F322 HydrophobicContact CE1-CD1 3.97Å; F51-F322 HydrophobicContact CE1-CE1 4.35Å; F51-F322 HydrophobicContact CE1-CG 4.18Å; F51-F322 AromaticContact CZ-CD1 3.77Å; F51-F322 HydrophobicContact CZ-CD1 3.77Å; F51-F322 AromaticContact CZ-CE1 3.86Å; F51-F322 HydrophobicContact CZ-CE1 3.86Å; F51-F322 HydrophobicContact CZ-CG 4.43Å; L311-F322 HydrophobicContact CD1-CB 4.25Å; L311-F322 HydrophobicContact CD2-CB 4.13Å; L311-F322 HydrophobicContact CD2-CD1 3.7Å; L311-F322 HydrophobicContact CD2-CG 4.39Å; L311-F322 HydrophobicContact CG-CB 4.39Å; C312-F322 CarbonylContact O-C 3.58Å; C312-F322 WeakPolarHBondContact O-CA 3.47Å; V313-F322 HydrophobicContact CB-CD1 3.7Å; V313-F322 HydrophobicContact CB-CE1 3.73Å; V313-F322 HydrophobicContact CG2-CD1 3.73Å; V313-F322 HydrophobicContact CG2-CE1 3.46Å; V313-F322 VanDerWaalsContact CG2-CE1 3.46Å; V313-F322 HydrophobicContact CG2-CG 4.39Å; V313-F322 HydrophobicContact CG2-CZ 3.91Å; L320-F322 HydrophobicContact CB-CE2 3.82Å; L320-F322 HydrophobicContact CB-CZ 3.98Å; L320-F322 HydrophobicContact CD1-CZ 4.31Å
323W91.3Very high87Confident1 Ų144.9 Ų44.90%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-117.2113.6174.9-67.6-92.3000108.5P9 V281 I283 M293 L311 C312 V314 C321P9-W323 HydrophobicContact CB-CZ2 4.32Å; V281-W323 HydrophobicContact CG2-CH2 4.23Å; V281-W323 HydrophobicContact CG2-CZ2 4.41Å; I283-W323 HydrophobicContact CD1-CB 3.85Å; M293-W323 HydrophobicContact SD-CB 3.78Å; M293-W323 HydrophobicContact SD-CG 4.07Å; L311-W323 WeakPolarHBondContact CA-O 3.36Å; C312-W323 PolarHBondContact N-O 3.15Å; C312-W323 PolarHBondContact O-N 3.07Å; V314-W323 HydrophobicContact CB-CE3 4.4Å; V314-W323 HydrophobicContact CB-CH2 3.75Å; V314-W323 HydrophobicContact CB-CZ3 3.35Å; V314-W323 HydrophobicContact CG2-CE3 4.05Å; V314-W323 HydrophobicContact CG2-CH2 4.05Å; V314-W323 HydrophobicContact CG2-CZ3 3.41Å; V314-W323 VanDerWaalsContact CG2-CZ3 3.41Å; C321-W323 VanDerWaalsContact C-CZ3 3.5Å; C321-W323 HydrophobicContact CB-CE3 4.27Å; C321-W323 HydrophobicContact CB-CH2 3.14Å; C321-W323 HydrophobicContact CB-CZ2 3.74Å; C321-W323 HydrophobicContact CB-CZ3 3.41Å; C321-W323 VanDerWaalsContact CB-CZ3 3.41Å; C321-W323 WeakPolarHBondContact O-CZ3 2.96Å
324M89.3Confident86.5Confident30 Ų3048.1 Ų48.115%0.14822%0.221CC..EExtended strand (participates in β ladder)trans-93.1133.9171.7-173.5170-71.700109.3S10 Y11 E53 M293 L309 L311S10-M324 PolarHBondContact OG-N 2.72Å; Y11-M324 HydrophobicContact CE2-CE 4.23Å; E53-M324 HydrophobicContact CB-CE 4.4Å; E53-M324 VanDerWaalsContact CD-SD 3.56Å; E53-M324 HydrophobicContact CG-CE 3.66Å; E53-M324 HydrophobicContact CG-SD 3.79Å; E53-M324 WeakPolarHBondContact OE2-CE 3.35Å; M293-M324 WeakPolarHBondContact CE-O 3.49Å; L309-M324 HydrophobicContact CD1-CE 4.1Å; L311-M324 HydrophobicContact CB-CE 4.3Å; L311-M324 HydrophobicContact CD1-CB 4.26Å; L311-M324 HydrophobicContact CD1-CE 3.56Å
325T85.9Confident86Confident4 Ų451.8 Ų51.83%0.02524%0.238CC..  trans-109.4122.6169.957.10000109.6I283 I292 M293 P310 M327I283-T325 HydrophobicContact CB-CG2 4.23Å; I283-T325 HydrophobicContact CD1-CG2 3.52Å; I283-T325 HydrophobicContact CG1-CG2 4.47Å; I283-T325 HydrophobicContact CG2-CG2 3.87Å; I292-T325 HydrophobicContact CD1-CG2 3.94Å; I292-T325 HydrophobicContact CG1-CG2 4.47Å; M293-T325 HydrophobicContact CB-CG2 4.27Å; M293-T325 HydrophobicContact CE-CG2 4.04Å; M293-T325 HydrophobicContact SD-CG2 4.31Å; P310-T325 WeakPolarHBondContact CG-O 2.83Å; P310-T325 PolarHBondContact O-N 3.24Å; P310-T325 PolarHBondContact O-OG1 3.38Å; T325-M327 PolarHBondContact O-N 3.15Å
326E71.7Confident85.7Confident197 Ų19756.2 Ų56.292%0.92126%0.258SS*.  trans-69.4121.6163-63.6175.7-174.100107.6
327M56.9Low85.6Confident138 Ų13861.3 Ų61.368%0.6828%0.282SS*.  trans-125.60165-75.8-152.8-6500109.1N264 L267 H285 I292 T325N264-M327 HydrophobicContact CB-CE 4.23Å; N264-M327 WeakPolarHBondContact ND2-CE 3.44Å; L267-M327 HydrophobicContact CB-CE 3.87Å; L267-M327 HydrophobicContact CD1-CE 3.81Å; L267-M327 HydrophobicContact CD1-SD 4.1Å; L267-M327 HydrophobicContact CD2-CE 3.94Å; L267-M327 HydrophobicContact CG-CE 4.1Å; H285-M327 HydrophobicContact CB-SD 4.48Å; H285-M327 PolarHBondContact CD2-SD 2.8Å; I292-M327 HydrophobicContact CD1-CG 4.46Å; I292-M327 HydrophobicContact CD1-SD 4.41Å; T325-M327 PolarHBondContact O-N 3.15Å

Retrieved 327 of 327 residues in 195.3 ms (Link to these results)

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