A0A077ZKN7_TRITR Loading...

Transmembrane protein family 132 fourth domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZKN7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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
1M71.7Confident77.6Confident171 Ų17191.7 Ų91.784%0.84249%0.49SS*.  0110.70-170.1-175.9-17400106.5Y24 T25M1-Y24 HydrophobicContact CE-CD2 4.28Å; M1-Y24 HydrophobicContact CE-CE2 3.22Å; M1-Y24 WeakPolarHBondContact CE-OH 3.32Å; M1-Y24 HydrophobicContact CG-CE2 3.54Å; M1-Y24 HydrophobicContact SD-CE2 4.1Å; M1-T25 WeakPolarHBondContact CA-O 3.32Å
2T81Confident76Confident88 Ų8885.3 Ų85.354%0.5446%0.459SS..EExtended strand (participates in β ladder)trans-120139.7172.557.50000108.9T25T2-T25 PolarHBondContact N-O 3.49Å; T2-T25 PolarHBondContact N-OG1 3.44Å; T2-T25 PolarHBondContact O-N 3.04Å; T2-T25 VanDerWaalsContact O-N 3.08Å; T2-T25 PolarHBondContact O-OG1 2.94Å; T2-T25 PolarHBondContact OG1-OG1 3.38Å
3V84.9Confident75Confident90 Ų9091.4 Ų91.455%0.54548%0.483SS..EExtended strand (participates in β ladder)trans-117.5117.6174.6179.20000105.9V22 E23 Y24V3-V22 HydrophobicContact CG1-CG1 3.79Å; V3-E23 WeakPolarHBondContact CA-O 3.48Å; V3-Y24 HydrophobicContact CG2-CD2 4.17Å
4S83.9Confident74.6Confident45 Ų4597.1 Ų97.132%0.31551%0.506SS..EExtended strand (participates in β ladder)trans-110136.9173.329.80000108.9E23S4-E23 PolarHBondContact N-O 3.19Å; S4-E23 PolarHBondContact O-N 3.34Å; S4-E23 WeakPolarHBondContact OG-CB 3.41Å; S4-E23 PolarHBondContact OG-OE2 3.4Å
5V84.7Confident73.7Confident89 Ų8997.4 Ų97.454%0.53951%0.507SS..EExtended strand (participates in β ladder)trans-117123.7174.6179.60000107.3W20V5-W20 HydrophobicContact CG1-CE3 3.64Å; V5-W20 HydrophobicContact CG1-CZ3 3.94Å
6S84.3Confident73.4Confident59 Ų5998.6 Ų98.641%0.41353%0.526SS..EExtended strand (participates in β ladder)trans-129.6146.5177.460.80000110.7T21S6-T21 PolarHBondContact N-O 3.3Å; S6-T21 PolarHBondContact O-N 2.98Å
7K81.2Confident73.3Confident96 Ų9696.4 Ų96.442%0.41751%0.512SS..EExtended strand (participates in β ladder)trans-88.3130.5170.6-177.4-175.9173.2-170.70108.2E9 W20K7-E9 HydrophobicContact CD-CG 4.38Å; K7-E9 HydrophobicContact CG-CG 4.47Å; K7-E9 PolarHBondContact O-N 3.32Å; K7-W20 HydrophobicContact CB-CE3 4.35Å; K7-W20 HydrophobicContact CB-CZ3 4.3Å
8D78.1Confident73.5Confident43 Ų4395.4 Ų95.423%0.2351%0.507CS..  trans-90.293.6173.9-166.8-27.7000109K10 A11 A12 L19D8-K10 VanDerWaalsContact C-N 3.34Å; D8-K10 PolarHBondContact O-N 3.26Å; D8-K10 PolarHBondContact OD1-N 3.49Å; D8-A11 HydrophobicContact CB-CB 4.35Å; D8-A11 PolarHBondContact OD1-N 3.37Å; D8-A12 VanDerWaalsContact O-CB 3.29Å; D8-A12 WeakPolarHBondContact O-CB 3.5Å; D8-A12 PolarHBondContact O-N 3.28Å; D8-A12 VanDerWaalsContact O-N 3.12Å; D8-L19 HydrophobicContact CB-CB 4.27Å; D8-L19 HydrophobicContact CB-CD2 4.03Å; D8-L19 HydrophobicContact CB-CG 4.26Å; D8-L19 PolarHBondContact N-O 2.91Å
9E73.7Confident74Confident134 Ų13491.3 Ų91.363%0.62649%0.485SS*.Hα-helixtrans-66.6-34.9-175.9-67.2-178.9157.200112.8K7 A12 E13K7-E9 HydrophobicContact CD-CG 4.38Å; K7-E9 HydrophobicContact CG-CG 4.47Å; K7-E9 PolarHBondContact O-N 3.32Å; E9-A12 PolarHBondContact O-N 3.04Å; E9-E13 PolarHBondContact O-N 3.1Å
10K68.7Low74.6Confident174 Ų17490.3 Ų90.376%0.75747%0.474SS*.Hα-helixtrans-68.2-45.1-177.8-68.9-176.2178.9-179.10111.7D8 A12D8-K10 VanDerWaalsContact C-N 3.34Å; D8-K10 PolarHBondContact O-N 3.26Å; D8-K10 PolarHBondContact OD1-N 3.49Å; K10-A12 VanDerWaalsContact C-N 3.32Å
11A60.8Low75Confident20 Ų2086.7 Ų86.717%0.16546%0.456CS..Hα-helixtrans-72-28.7176.700000112.5D8 E13 E14 L15 L19D8-A11 HydrophobicContact CB-CB 4.35Å; D8-A11 PolarHBondContact OD1-N 3.37Å; A11-E13 VanDerWaalsContact C-N 3.35Å; A11-E14 PolarHBondContact O-N 3.25Å; A11-L15 PolarHBondContact O-N 3Å; A11-L19 HydrophobicContact CB-CB 4.32Å; A11-L19 HydrophobicContact CB-CD2 3.4Å; A11-L19 HydrophobicContact CB-CG 4.48Å
12A58.5Low75.8Confident14 Ų1480.5 Ų80.512%0.11643%0.427CS..Hα-helixtrans-66.9-34.5177.800000113.1D8 E9 K10 S16 E17D8-A12 VanDerWaalsContact O-CB 3.29Å; D8-A12 WeakPolarHBondContact O-CB 3.5Å; D8-A12 PolarHBondContact O-N 3.28Å; D8-A12 VanDerWaalsContact O-N 3.12Å; E9-A12 PolarHBondContact O-N 3.04Å; K10-A12 VanDerWaalsContact C-N 3.32Å; A12-S16 WeakPolarHBondContact O-CA 3.43Å; A12-S16 PolarHBondContact O-N 3.47Å; A12-E17 WeakPolarHBondContact CA-O 3.26Å; A12-E17 VanDerWaalsContact CB-O 3.23Å; A12-E17 WeakPolarHBondContact CB-O 3.26Å
13E63.3Low76.1Confident165 Ų16579.7 Ų79.777%0.77142%0.417SS*.Hα-helixtrans-68.4-41.4175.1-72.9-177.3171.300112.5E9 A11E9-E13 PolarHBondContact O-N 3.1Å; A11-E13 VanDerWaalsContact C-N 3.35Å
14E69.6Low76.2Confident172 Ų17278.7 Ų78.780%0.80440%0.404SS*.Hα-helixtrans-68-35.8179.9-71.2-177.217300112.9A11A11-E14 PolarHBondContact O-N 3.25Å
15L61.3Low76.2Confident101 Ų10177.1 Ų77.153%0.52939%0.393SS..Hα-helixtrans-98.5-12.8-174.5-64.8175.7000114.4A11 E17A11-L15 PolarHBondContact O-N 3Å; L15-E17 HydrophobicContact CB-CB 4.19Å; L15-E17 HydrophobicContact CB-CG 4.47Å; L15-E17 PolarHBondContact O-N 3.31Å; L15-E17 VanDerWaalsContact O-N 3.17Å
16S68.2Low76.2Confident116 Ų11675.2 Ų75.281%0.81138%0.378SS*.SBendtrans55.221.8-166.1-54.20000113.7A12A12-S16 WeakPolarHBondContact O-CA 3.43Å; A12-S16 PolarHBondContact O-N 3.47Å
17E72.4Confident76.2Confident61 Ų6177.6 Ų77.629%0.28539%0.385SS..SBendtrans-119.3148.5178.7-67.4-168.5151.600109.8A12 L15 L19 Q58A12-E17 WeakPolarHBondContact CA-O 3.26Å; A12-E17 VanDerWaalsContact CB-O 3.23Å; A12-E17 WeakPolarHBondContact CB-O 3.26Å; L15-E17 HydrophobicContact CB-CB 4.19Å; L15-E17 HydrophobicContact CB-CG 4.47Å; L15-E17 PolarHBondContact O-N 3.31Å; L15-E17 VanDerWaalsContact O-N 3.17Å; E17-L19 PolarHBondContact O-N 2.84Å; E17-Q58 PolarHBondContact OE1-NE2 3.32Å
18L76.5Confident76Confident79 Ų7974.2 Ų74.241%0.41437%0.372SS..EExtended strand (participates in β ladder)trans-79.4104.9174.9-64.2173.8000108.9M57L18-M57 HydrophobicContact CB-CB 4.07Å; L18-M57 PolarHBondContact N-O 3.04Å; L18-M57 PolarHBondContact O-N 2.74Å
19L83.8Confident76Confident17 Ų1777.1 Ų77.19%0.08939%0.388CS..EExtended strand (participates in β ladder)trans-89.3124.9174.1-171.768.3000110.8D8 A11 E17 R54 T56D8-L19 HydrophobicContact CB-CB 4.27Å; D8-L19 HydrophobicContact CB-CD2 4.03Å; D8-L19 HydrophobicContact CB-CG 4.26Å; D8-L19 PolarHBondContact N-O 2.91Å; A11-L19 HydrophobicContact CB-CB 4.32Å; A11-L19 HydrophobicContact CB-CD2 3.4Å; A11-L19 HydrophobicContact CB-CG 4.48Å; E17-L19 PolarHBondContact O-N 2.84Å; L19-R54 HydrophobicContact CD1-CB 4.28Å; L19-T56 HydrophobicContact CD1-CG2 3.9Å
20W84.9Confident75.7Confident71 Ų7174.6 Ų74.627%0.26938%0.379SS..EExtended strand (participates in β ladder)trans-117.5138.7178.3-67.482.7000110.5V5 K7 R54 F55 M57V5-W20 HydrophobicContact CG1-CE3 3.64Å; V5-W20 HydrophobicContact CG1-CZ3 3.94Å; K7-W20 HydrophobicContact CB-CE3 4.35Å; K7-W20 HydrophobicContact CB-CZ3 4.3Å; W20-R54 WeakPolarHBondContact O-CA 3.44Å; W20-F55 HydrophobicContact CB-CD1 3.96Å; W20-F55 HydrophobicContact CB-CD2 4.15Å; W20-F55 HydrophobicContact CB-CE1 3.38Å; W20-F55 HydrophobicContact CB-CE2 3.65Å; W20-F55 HydrophobicContact CB-CG 4.3Å; W20-F55 HydrophobicContact CB-CZ 3.24Å; W20-F55 HydrophobicContact CD2-CZ 4.5Å; W20-F55 HydrophobicContact CG-CE1 4.4Å; W20-F55 AromaticContact CG-CE2 3.95Å; W20-F55 HydrophobicContact CG-CE2 3.95Å; W20-F55 AromaticContact CG-CZ 3.8Å; W20-F55 HydrophobicContact CG-CZ 3.8Å; W20-F55 PolarHBondContact N-O 3.14Å; W20-F55 PolarHBondContact O-N 3.02Å; W20-M57 HydrophobicContact CD2-SD 4.3Å; W20-M57 HydrophobicContact CG-CG 4.47Å; W20-M57 HydrophobicContact CG-SD 4.11Å; W20-M57 HydrophobicContact CZ2-SD 4.42Å; W20-M57 PolarHBondContact NE1-SD 3.37Å
21T84.1Confident75.4Confident16 Ų1669.6 Ų69.610%0.09837%0.37CS..EExtended strand (participates in β ladder)trans-114.1122.4174.5-57.50000108.8S6 N52 T53 R54S6-T21 PolarHBondContact N-O 3.3Å; S6-T21 PolarHBondContact O-N 2.98Å; T21-N52 HydrophobicContact CG2-CB 4.35Å; T21-T53 WeakPolarHBondContact CA-O 3.32Å; T21-R54 HydrophobicContact CG2-CG 4.43Å
22V87.2Confident75Confident40 Ų4076.2 Ų76.224%0.24240%0.403CS..EExtended strand (participates in β ladder)trans-95.7121.4164.7-170.20000107.6V3 N52 T53 F55V3-V22 HydrophobicContact CG1-CG1 3.79Å; V22-N52 WeakPolarHBondContact O-CA 3.31Å; V22-T53 PolarHBondContact N-O 2.92Å; V22-T53 PolarHBondContact O-N 3.43Å; V22-F55 HydrophobicContact CG2-CD1 4.06Å; V22-F55 HydrophobicContact CG2-CE1 3.48Å; V22-F55 VanDerWaalsContact CG2-CE1 3.48Å
23E87.1Confident74.6Confident71 Ų7179.2 Ų79.233%0.33242%0.423SS..EExtended strand (participates in β ladder)trans-102.7125.4172.7173.5178.5-145.500108.6V3 S4 T25 T50 N52V3-E23 WeakPolarHBondContact CA-O 3.48Å; S4-E23 PolarHBondContact N-O 3.19Å; S4-E23 PolarHBondContact O-N 3.34Å; S4-E23 WeakPolarHBondContact OG-CB 3.41Å; S4-E23 PolarHBondContact OG-OE2 3.4Å; E23-T25 HydrophobicContact CG-CG2 4.43Å; E23-T50 HydrophobicContact CG-CG2 3.44Å; E23-T50 VanDerWaalsContact CG-CG2 3.44Å; E23-T50 WeakPolarHBondContact OE1-CG2 3.37Å; E23-N52 WeakPolarHBondContact CG-OD1 3.4Å
24Y87Confident74.1Confident69 Ų6977.5 Ų77.527%0.27143%0.426SS..EExtended strand (participates in β ladder)trans-116.6114.4-178.9175-116.4000110.2M1 V3 F26 T50 L51M1-Y24 HydrophobicContact CE-CD2 4.28Å; M1-Y24 HydrophobicContact CE-CE2 3.22Å; M1-Y24 WeakPolarHBondContact CE-OH 3.32Å; M1-Y24 HydrophobicContact CG-CE2 3.54Å; M1-Y24 HydrophobicContact SD-CE2 4.1Å; V3-Y24 HydrophobicContact CG2-CD2 4.17Å; Y24-F26 AromaticContact CD1-CD1 3.3Å; Y24-F26 HydrophobicContact CD1-CD1 3.3Å; Y24-F26 AromaticContact CD1-CE1 3.64Å; Y24-F26 HydrophobicContact CD1-CE1 3.64Å; Y24-F26 HydrophobicContact CD1-CG 4.22Å; Y24-F26 HydrophobicContact CE1-CB 3.77Å; Y24-F26 AromaticContact CE1-CD1 2.98Å; Y24-F26 HydrophobicContact CE1-CD1 2.98Å; Y24-F26 HydrophobicContact CE1-CD2 4.36Å; Y24-F26 AromaticContact CE1-CE1 3.53Å; Y24-F26 HydrophobicContact CE1-CE1 3.53Å; Y24-F26 AromaticContact CE1-CG 3.46Å; Y24-F26 HydrophobicContact CE1-CG 3.46Å; Y24-F26 VanDerWaalsContact CE1-CG 3.46Å; Y24-F26 HydrophobicContact CE1-CZ 4.39Å; Y24-F26 HydrophobicContact CE2-CB 4.44Å; Y24-F26 HydrophobicContact CG-CD1 4.34Å; Y24-F26 AromaticContact CZ-CD1 3.79Å; Y24-F26 AromaticContact CZ-CG 3.89Å; Y24-F26 WeakPolarHBondContact OH-CB 3.32Å; Y24-T50 CarbonylContact O-C 3.58Å; Y24-T50 VanDerWaalsContact O-CA 3.26Å; Y24-T50 WeakPolarHBondContact O-CA 3.37Å; Y24-L51 HydrophobicContact CD1-CB 4.27Å; Y24-L51 HydrophobicContact CD1-CD1 4.17Å; Y24-L51 PolarHBondContact N-O 3.32Å; Y24-L51 PolarHBondContact O-N 3.41Å
25T85Confident73.1Confident12 Ų1275.7 Ų75.77%0.07442%0.422CS..EExtended strand (participates in β ladder)trans-106.1131.8176.166.90000111.4M1 T2 E23 R49 T50M1-T25 WeakPolarHBondContact CA-O 3.32Å; T2-T25 PolarHBondContact N-O 3.49Å; T2-T25 PolarHBondContact N-OG1 3.44Å; T2-T25 PolarHBondContact O-N 3.04Å; T2-T25 VanDerWaalsContact O-N 3.08Å; T2-T25 PolarHBondContact O-OG1 2.94Å; T2-T25 PolarHBondContact OG1-OG1 3.38Å; E23-T25 HydrophobicContact CG-CG2 4.43Å; T25-R49 WeakPolarHBondContact CA-O 3.13Å; T25-T50 HydrophobicContact CG2-CG2 4.16Å
26F84.3Confident72.3Confident50 Ų5080.3 Ų80.322%0.21943%0.432CS..EExtended strand (participates in β ladder)trans-148.6149.5179.263.3-73.8000112.2Y24 V28 E48 R49 L51Y24-F26 AromaticContact CD1-CD1 3.3Å; Y24-F26 HydrophobicContact CD1-CD1 3.3Å; Y24-F26 AromaticContact CD1-CE1 3.64Å; Y24-F26 HydrophobicContact CD1-CE1 3.64Å; Y24-F26 HydrophobicContact CD1-CG 4.22Å; Y24-F26 HydrophobicContact CE1-CB 3.77Å; Y24-F26 AromaticContact CE1-CD1 2.98Å; Y24-F26 HydrophobicContact CE1-CD1 2.98Å; Y24-F26 HydrophobicContact CE1-CD2 4.36Å; Y24-F26 AromaticContact CE1-CE1 3.53Å; Y24-F26 HydrophobicContact CE1-CE1 3.53Å; Y24-F26 AromaticContact CE1-CG 3.46Å; Y24-F26 HydrophobicContact CE1-CG 3.46Å; Y24-F26 VanDerWaalsContact CE1-CG 3.46Å; Y24-F26 HydrophobicContact CE1-CZ 4.39Å; Y24-F26 HydrophobicContact CE2-CB 4.44Å; Y24-F26 HydrophobicContact CG-CD1 4.34Å; Y24-F26 AromaticContact CZ-CD1 3.79Å; Y24-F26 AromaticContact CZ-CG 3.89Å; Y24-F26 WeakPolarHBondContact OH-CB 3.32Å; F26-V28 HydrophobicContact CD2-CG2 3.68Å; F26-V28 HydrophobicContact CE2-CG2 3.37Å; F26-V28 HydrophobicContact CZ-CG2 4.35Å; F26-E48 CarbonylContact O-C 3.59Å; F26-E48 WeakPolarHBondContact O-CA 3.45Å; F26-R49 HydrophobicContact CD1-CB 4.3Å; F26-R49 VanDerWaalsContact CD1-O 3.28Å; F26-R49 WeakPolarHBondContact CD1-O 3.37Å; F26-R49 HydrophobicContact CE1-CB 3.83Å; F26-R49 HydrophobicContact CE2-CB 4.21Å; F26-R49 HydrophobicContact CZ-CB 3.79Å; F26-R49 PolarHBondContact N-O 3.49Å; F26-R49 PolarHBondContact O-N 3.18Å; F26-L51 HydrophobicContact CE1-CD1 3.62Å; F26-L51 HydrophobicContact CE1-CG 3.8Å; F26-L51 HydrophobicContact CZ-CD1 3.94Å; F26-L51 HydrophobicContact CZ-CG 4.34Å
27L83.7Confident71.2Confident108 Ų10882.2 Ų82.257%0.56543%0.433SS*.EExtended strand (participates in β ladder)trans-88.1126.3177-60178.5000108.9E48L27-E48 HydrophobicContact CD2-CB 3.85Å; L27-E48 HydrophobicContact CD2-CG 4.21Å
28V78.7Confident70Confident25 Ų2585.9 Ų85.915%0.15246%0.459CS..EExtended strand (participates in β ladder)trans-99.7128.8172.5-178.90000108.9F26 N47 R49F26-V28 HydrophobicContact CD2-CG2 3.68Å; F26-V28 HydrophobicContact CE2-CG2 3.37Å; F26-V28 HydrophobicContact CZ-CG2 4.35Å; V28-N47 PolarHBondContact N-O 3.23Å; V28-N47 PolarHBondContact O-N 3.46Å; V28-R49 HydrophobicContact CG2-CB 4.38Å; V28-R49 HydrophobicContact CG2-CG 3.89Å
29N78Confident68.3Low105 Ų10590.4 Ų90.456%0.56148%0.478SS*.  trans-93.1109173.4-132.710000108.4A31N29-A31 PolarHBondContact O-N 3.36Å
30D67.5Low66.4Low80 Ų8098.1 Ų98.143%0.42851%0.513SS..  trans-77.252.2179.3-70.5-35.6000111.5N32 N47 R49D30-N32 VanDerWaalsContact C-N 3.3Å; D30-N32 PolarHBondContact O-N 2.74Å; D30-N47 PolarHBondContact OD2-ND2 2.86Å; D30-R49 IonicContact OD1-NH2 3.91Å
31A61.3Low64.5Low70 Ų70102.4 Ų102.458%0.57954%0.542SS*.THydrogen-bonded Turntrans-76.6-13.6-179.900000113.6N29N29-A31 PolarHBondContact O-N 3.36Å
32N53.3Low62.8Low158 Ų158110.4 Ų110.485%0.84557%0.57SS**THydrogen-bonded Turntrans-119.219.8-173.6-83.58000115.4D30 P34D30-N32 VanDerWaalsContact C-N 3.3Å; D30-N32 PolarHBondContact O-N 2.74Å; N32-P34 WeakPolarHBondContact O-CD 3.23Å
33S49.9Very low61.2Low77 Ų77117 Ų11754%0.53860%0.598SS.*  trans-68.8124.1164.2-179.40000109.2D35S33-D35 PolarHBondContact O-N 3.18Å; S33-D35 VanDerWaalsContact O-N 3.09Å
34P52.7Low59.6Low129 Ų129120.8 Ų120.884%0.83862%0.616SS**SBendtrans-74.26.4-17429.3-32.6000114.3N32 R36N32-P34 WeakPolarHBondContact O-CD 3.23Å; P34-R36 VanDerWaalsContact C-N 3.33Å; P34-R36 PolarHBondContact O-N 3.3Å
35D48.4Very low58.1Low135 Ų135125.2 Ų125.272%0.72264%0.637SS**  trans-86.476.1176-148.49.5000110.5S33S33-D35 PolarHBondContact O-N 3.18Å; S33-D35 VanDerWaalsContact O-N 3.09Å
36R43.9Very low57.3Low198 Ų198128 Ų12875%0.74765%0.654SS**  trans-100.376.7174-88.4-173.1151.2-170.9-4.1110.2P34P34-R36 VanDerWaalsContact C-N 3.33Å; P34-R36 PolarHBondContact O-N 3.3Å
37L45.7Very low57.1Low156 Ų156128.4 Ų128.482%0.81766%0.658SS**  trans-138.3139.1150.8-76170.4000107.5
38V46.8Very low57Low138 Ų138129.4 Ų129.484%0.83666%0.66SS**  trans96.5104.4177.3-164.80000115.4
39E41.7Very low57.3Low173 Ų173134.1 Ų134.181%0.80868%0.675SS**  trans-68.4170169.3-62.1167.514300112.2
40Q43.7Very low57.6Low179 Ų179132.3 Ų132.384%0.83667%0.668SS**SBendtrans103.2116.2166.6-59.4179.4-18.900115.7
41N44.7Very low58.5Low162 Ų162133.2 Ų133.287%0.86667%0.672SS**  trans52.361167.9-62.7-14.4000115.5E43N41-E43 VanDerWaalsContact C-N 3.27Å; N41-E43 PolarHBondContact O-N 2.8Å
42R47.9Very low59.8Low183 Ų183134.7 Ų134.769%0.69167%0.67SS**  trans-7187.4164.3-78.1-178.6173.7-168-7.3108.7E44R42-E44 PolarHBondContact O-N 2.93Å; R42-E44 VanDerWaalsContact O-N 3.13Å
43E52.9Low61.4Low178 Ų178131.4 Ų131.483%0.83266%0.656SS**  trans-47.2118.6140.9-73178.2168.700105.1N41 K45N41-E43 VanDerWaalsContact C-N 3.27Å; N41-E43 PolarHBondContact O-N 2.8Å; E43-K45 PolarHBondContact O-N 2.84Å
44E54.4Low63.1Low152 Ų152135.9 Ų135.971%0.7166%0.661SS**  trans-56.497.6169.9-74.1-177.8156.500106.2R42 T46R42-E44 PolarHBondContact O-N 2.93Å; R42-E44 VanDerWaalsContact O-N 3.13Å; E44-T46 PolarHBondContact O-N 2.78Å
45K56.6Low64.7Low162 Ų162133.6 Ų133.670%0.70464%0.638SS**  trans-76.375.8-179.8-157.7175.7-174.6177.80106.6E43 N47E43-K45 PolarHBondContact O-N 2.84Å; K45-N47 PolarHBondContact O-N 2.89Å
46T66.6Low66.4Low71 Ų71130.7 Ų130.744%0.43663%0.626SS.*  trans-64.2102.7170.347.70000106.9E44 E48E44-T46 PolarHBondContact O-N 2.78Å; T46-E48 PolarHBondContact O-N 2.88Å
47N80.8Confident68.2Low57 Ų57125.5 Ų125.531%0.30561%0.611SS.*EExtended strand (participates in β ladder)trans-82.3115.5179.8-79.3-31.3000108.7V28 D30 K45V28-N47 PolarHBondContact N-O 3.23Å; V28-N47 PolarHBondContact O-N 3.46Å; D30-N47 PolarHBondContact OD2-ND2 2.86Å; K45-N47 PolarHBondContact O-N 2.89Å
48E81.9Confident70Confident130 Ų130125 Ų12561%0.60760%0.604SS**EExtended strand (participates in β ladder)trans-73.2124.4172-168.5172-173.100109.7F26 L27 T46F26-E48 CarbonylContact O-C 3.59Å; F26-E48 WeakPolarHBondContact O-CA 3.45Å; L27-E48 HydrophobicContact CD2-CB 3.85Å; L27-E48 HydrophobicContact CD2-CG 4.21Å; T46-E48 PolarHBondContact O-N 2.88Å
49R83.9Confident71.8Confident123 Ų123127.9 Ų127.946%0.46461%0.605SS.*EExtended strand (participates in β ladder)trans-115.2140.1173.6-67.4-166.1-176.9146.35.8109.5T25 F26 V28 D30T25-R49 WeakPolarHBondContact CA-O 3.13Å; F26-R49 HydrophobicContact CD1-CB 4.3Å; F26-R49 VanDerWaalsContact CD1-O 3.28Å; F26-R49 WeakPolarHBondContact CD1-O 3.37Å; F26-R49 HydrophobicContact CE1-CB 3.83Å; F26-R49 HydrophobicContact CE2-CB 4.21Å; F26-R49 HydrophobicContact CZ-CB 3.79Å; F26-R49 PolarHBondContact N-O 3.49Å; F26-R49 PolarHBondContact O-N 3.18Å; V28-R49 HydrophobicContact CG2-CB 4.38Å; V28-R49 HydrophobicContact CG2-CG 3.89Å; D30-R49 IonicContact OD1-NH2 3.91Å
50T84.8Confident74.1Confident67 Ų67122.7 Ų122.741%0.41158%0.584SS.*EExtended strand (participates in β ladder)trans-113.2124.3176.4-51.80000109.5E23 Y24 T25E23-T50 HydrophobicContact CG-CG2 3.44Å; E23-T50 VanDerWaalsContact CG-CG2 3.44Å; E23-T50 WeakPolarHBondContact OE1-CG2 3.37Å; Y24-T50 CarbonylContact O-C 3.58Å; Y24-T50 VanDerWaalsContact O-CA 3.26Å; Y24-T50 WeakPolarHBondContact O-CA 3.37Å; T25-T50 HydrophobicContact CG2-CG2 4.16Å
51L87.6Confident76.4Confident99 Ų99117.2 Ų117.252%0.51857%0.565SS.*EExtended strand (participates in β ladder)trans-109.8126.4170.9-73.1171.6000109.2Y24 F26Y24-L51 HydrophobicContact CD1-CB 4.27Å; Y24-L51 HydrophobicContact CD1-CD1 4.17Å; Y24-L51 PolarHBondContact N-O 3.32Å; Y24-L51 PolarHBondContact O-N 3.41Å; F26-L51 HydrophobicContact CE1-CD1 3.62Å; F26-L51 HydrophobicContact CE1-CG 3.8Å; F26-L51 HydrophobicContact CZ-CD1 3.94Å; F26-L51 HydrophobicContact CZ-CG 4.34Å
52N87.8Confident78.8Confident102 Ų102112 Ų11255%0.54554%0.537SS..EExtended strand (participates in β ladder)trans-108.1120177.7-66.5-19.3000109.1T21 V22 E23T21-N52 HydrophobicContact CG2-CB 4.35Å; V22-N52 WeakPolarHBondContact O-CA 3.31Å; E23-N52 WeakPolarHBondContact CG-OD1 3.4Å
53T87.6Confident81Confident89 Ų89108.9 Ų108.955%0.54653%0.531SS..EExtended strand (participates in β ladder)trans-110.2130.2170.5-56.50000108.7T21 V22T21-T53 WeakPolarHBondContact CA-O 3.32Å; V22-T53 PolarHBondContact N-O 2.92Å; V22-T53 PolarHBondContact O-N 3.43Å
54R84.6Confident83.1Confident170 Ų170101.1 Ų101.164%0.64250%0.499SS*.EExtended strand (participates in β ladder)trans-103.7135.5173.6-69179.2175.5-179.9-3.1109.2L19 W20 T21L19-R54 HydrophobicContact CD1-CB 4.28Å; W20-R54 WeakPolarHBondContact O-CA 3.44Å; T21-R54 HydrophobicContact CG2-CG 4.43Å
55F86.9Confident85.2Confident81 Ų8194.7 Ų94.736%0.35547%0.47SS..EExtended strand (participates in β ladder)trans-134.5142.3172.264.4-80.5000109.5W20 V22 M57W20-F55 HydrophobicContact CB-CD1 3.96Å; W20-F55 HydrophobicContact CB-CD2 4.15Å; W20-F55 HydrophobicContact CB-CE1 3.38Å; W20-F55 HydrophobicContact CB-CE2 3.65Å; W20-F55 HydrophobicContact CB-CG 4.3Å; W20-F55 HydrophobicContact CB-CZ 3.24Å; W20-F55 HydrophobicContact CD2-CZ 4.5Å; W20-F55 HydrophobicContact CG-CE1 4.4Å; W20-F55 AromaticContact CG-CE2 3.95Å; W20-F55 HydrophobicContact CG-CE2 3.95Å; W20-F55 AromaticContact CG-CZ 3.8Å; W20-F55 HydrophobicContact CG-CZ 3.8Å; W20-F55 PolarHBondContact N-O 3.14Å; W20-F55 PolarHBondContact O-N 3.02Å; V22-F55 HydrophobicContact CG2-CD1 4.06Å; V22-F55 HydrophobicContact CG2-CE1 3.48Å; V22-F55 VanDerWaalsContact CG2-CE1 3.48Å; F55-M57 HydrophobicContact CD2-CG 3.85Å; F55-M57 HydrophobicContact CE2-CG 3.6Å; F55-M57 HydrophobicContact CE2-SD 3.79Å
56T83.7Confident87.2Confident75 Ų7590.8 Ų90.846%0.4645%0.453SS..EExtended strand (participates in β ladder)trans-90.7135.117451.60000108.7L19L19-T56 HydrophobicContact CD1-CG2 3.9Å
57M82Confident88.6Confident88 Ų8889.2 Ų89.243%0.43344%0.443SS..EExtended strand (participates in β ladder)trans-106.9120.7171-72.4-173.771.800108.8L18 W20 F55L18-M57 HydrophobicContact CB-CB 4.07Å; L18-M57 PolarHBondContact N-O 3.04Å; L18-M57 PolarHBondContact O-N 2.74Å; W20-M57 HydrophobicContact CD2-SD 4.3Å; W20-M57 HydrophobicContact CG-CG 4.47Å; W20-M57 HydrophobicContact CG-SD 4.11Å; W20-M57 HydrophobicContact CZ2-SD 4.42Å; W20-M57 PolarHBondContact NE1-SD 3.37Å; F55-M57 HydrophobicContact CD2-CG 3.85Å; F55-M57 HydrophobicContact CE2-CG 3.6Å; F55-M57 HydrophobicContact CE2-SD 3.79Å
58Q83.2Confident89.4Confident146 Ų14690.8 Ų90.868%0.68245%0.451SS*.PPolyproline II helixtrans-99147172.8-68.4-177.1-20.100109.9E17E17-Q58 PolarHBondContact OE1-NE2 3.32Å
59K85Confident90Very high198 Ų19887.3 Ų87.386%0.86145%0.45SS*.PPolyproline II helixtrans-64.6135.1171.1-176.9-175.5174.1-175.30108.4S61K59-S61 PolarHBondContact O-N 2.65Å
60D90.4Very high90.6Very high65 Ų6589 Ų8935%0.34846%0.461SS..PPolyproline II helixtrans-59.2137.2173.9-169.124.7000110.4T94 H95 A96D60-T94 VanDerWaalsContact CG-CB 3.49Å; D60-T94 WeakPolarHBondContact OD1-CB 3.42Å; D60-T94 PolarHBondContact OD1-OG1 3.32Å; D60-T94 WeakPolarHBondContact OD2-CB 3.49Å; D60-T94 WeakPolarHBondContact OD2-CG2 3.35Å; D60-T94 PolarHBondContact OD2-OG1 2.91Å; D60-H95 PolarHBondContact OD1-N 3.1Å; D60-A96 PolarHBondContact OD1-N 3.07Å; D60-A96 VanDerWaalsContact OD1-N 3.08Å; D60-A96 WeakPolarHBondContact OD2-CB 3.01Å
61S91.7Very high91.2Very high63 Ų6388.9 Ų88.944%0.44146%0.46SS..  trans-120.9152.4-174.260.40000110.7K59 M63 T94 H95K59-S61 PolarHBondContact O-N 2.65Å; S61-M63 PolarHBondContact O-N 2.94Å; S61-T94 VanDerWaalsContact O-CA 3.32Å; S61-T94 WeakPolarHBondContact O-CA 3.38Å; S61-T94 WeakPolarHBondContact O-CB 3.28Å; S61-H95 PolarHBondContact O-N 2.89Å; S61-H95 PolarHBondContact OG-CD2 2.98Å; S61-H95 VanDerWaalsContact OG-CD2 3.23Å
62L94.5Very high91.6Very high54 Ų5488 Ų8828%0.28346%0.456SS..EExtended strand (participates in β ladder)trans-68.4125.3177.8-68.1169.9000109.5T94 F144 I147L62-T94 HydrophobicContact CD2-CG2 4.41Å; L62-F144 HydrophobicContact CD1-CD1 3.81Å; L62-F144 HydrophobicContact CD1-CE1 3.79Å; L62-F144 HydrophobicContact CD2-CD1 4.38Å; L62-F144 HydrophobicContact CD2-CE1 3.94Å; L62-I147 HydrophobicContact CB-CG1 3.87Å; L62-I147 HydrophobicContact CD1-CG1 4.33Å
63M95.1Very high92Very high117 Ų11783.4 Ų83.458%0.57643%0.431SS*.EExtended strand (participates in β ladder)trans-88.5-38.2174.5176.8-175.2177.300110.9S61 V93S61-M63 PolarHBondContact O-N 2.94Å; M63-V93 WeakPolarHBondContact CA-O 3.35Å; M63-V93 HydrophobicContact CB-CG1 4.25Å; M63-V93 WeakPolarHBondContact CB-O 3.41Å; M63-V93 HydrophobicContact CG-CG1 4.48Å; M63-V93 PolarHBondContact N-O 2.94Å; M63-V93 HydrophobicContact SD-CG2 4.44Å
64G96.7Very high92.5Very high15 Ų1583.8 Ų83.816%0.15543%0.429CS..EExtended strand (participates in β ladder)trans-179.7179.3-17900000114.8S92 V93G64-S92 WeakPolarHBondContact O-CA 3.44Å; G64-V93 PolarHBondContact N-O 2.77Å; G64-V93 VanDerWaalsContact N-O 3.15Å; G64-V93 PolarHBondContact O-N 3.22Å
65L98.2Very high93.1Very high17 Ų1775.7 Ų75.79%0.08940%0.398CS..EExtended strand (participates in β ladder)trans-129144.1179.6-63174.2000109.7V90 C91 V102 I142 F144 I147 T149L65-V90 HydrophobicContact CD2-CG1 4.48Å; L65-C91 WeakPolarHBondContact CA-O 3.22Å; L65-V102 HydrophobicContact CD2-CG2 4.22Å; L65-I142 HydrophobicContact CD1-CG2 4.27Å; L65-F144 HydrophobicContact CD1-CB 3.76Å; L65-F144 HydrophobicContact CD2-CB 3.97Å; L65-F144 HydrophobicContact CD2-CD1 3.91Å; L65-F144 HydrophobicContact CD2-CG 4.29Å; L65-F144 HydrophobicContact CG-CB 4.5Å; L65-I147 HydrophobicContact CD1-CB 4.09Å; L65-I147 HydrophobicContact CD1-CG2 3.76Å; L65-I147 HydrophobicContact CG-CB 4.27Å; L65-I147 HydrophobicContact CG-CG2 3.8Å; L65-T149 HydrophobicContact CB-CG2 3.53Å; L65-T149 HydrophobicContact CD1-CG2 4.11Å; L65-T149 HydrophobicContact CG-CG2 4.43Å
66F97.5Very high93.5Very high80 Ų8074.8 Ų74.835%0.35140%0.4SS..EExtended strand (participates in β ladder)trans-145.8158.5173.563.9-83.5000110.8L68 C91 V93 V99F66-L68 HydrophobicContact CD2-CD2 4.22Å; F66-L68 HydrophobicContact CD2-CG 4.39Å; F66-L68 HydrophobicContact CE2-CD1 4.46Å; F66-L68 HydrophobicContact CE2-CD2 3.93Å; F66-L68 HydrophobicContact CE2-CG 4.07Å; F66-C91 HydrophobicContact CD1-CB 4.18Å; F66-C91 HydrophobicContact CD2-CB 4.16Å; F66-C91 HydrophobicContact CE1-CB 3.64Å; F66-C91 HydrophobicContact CE2-CB 3.62Å; F66-C91 HydrophobicContact CG-CB 4.42Å; F66-C91 HydrophobicContact CZ-CB 3.33Å; F66-C91 PolarHBondContact N-O 2.97Å; F66-C91 PolarHBondContact O-N 3.1Å; F66-V93 HydrophobicContact CE1-CB 4.45Å; F66-V99 HydrophobicContact CE1-CG1 4.34Å; F66-V99 HydrophobicContact CZ-CG1 3.93Å
67T97.4Very high94.1Very high37 Ų3771.4 Ų71.423%0.22738%0.379CS..EExtended strand (participates in β ladder)trans-104.4147.3178.553.30000112.2V88 K89 V90 I142 A151T67-V88 HydrophobicContact CG2-CG1 3.84Å; T67-K89 CarbonylContact C-O 3.59Å; T67-K89 VanDerWaalsContact CA-O 3.23Å; T67-K89 WeakPolarHBondContact CA-O 3.4Å; T67-V90 HydrophobicContact CG2-CG2 4.44Å; T67-I142 HydrophobicContact CG2-CD1 3.27Å; T67-A151 HydrophobicContact CG2-CB 3.69Å
68L97.1Very high94.6Very high90 Ų9069.9 Ų69.947%0.47137%0.372SS..EExtended strand (participates in β ladder)trans-116.2140168.9-61.2174.3000109.5F66 K89F66-L68 HydrophobicContact CD2-CD2 4.22Å; F66-L68 HydrophobicContact CD2-CG 4.39Å; F66-L68 HydrophobicContact CE2-CD1 4.46Å; F66-L68 HydrophobicContact CE2-CD2 3.93Å; F66-L68 HydrophobicContact CE2-CG 4.07Å; L68-K89 HydrophobicContact CB-CB 4.26Å; L68-K89 PolarHBondContact N-O 3.5Å; L68-K89 PolarHBondContact O-N 2.98Å
69G94.7Very high95.1Very high57 Ų5768.4 Ų68.459%0.58837%0.366SS*.EExtended strand (participates in β ladder)trans140.1-173.7179.700000112.1
70K96.4Very high95.5Very high159 Ų15962.4 Ų62.469%0.69135%0.349SS*.  trans-75.3134.8173.2-62.3176.4178.9177.20108.9V86K70-V86 HydrophobicContact CB-CG1 3.73Å; K70-V86 WeakPolarHBondContact O-CG1 3.28Å
71T96.7Very high95.7Very high64 Ų6462.5 Ų62.539%0.39337%0.366SS..  trans-97.8-2.9178.454.30000113.1F153 S154T71-F153 CarbonylContact O-C 3.52Å; T71-F153 VanDerWaalsContact O-CA 3.23Å; T71-F153 WeakPolarHBondContact O-CA 3.49Å; T71-S154 PolarHBondContact O-N 2.92Å
72N96.8Very high96Very high81 Ų8168.9 Ų68.943%0.43338%0.381SS..EExtended strand (participates in β ladder)trans-113.5137.3-176.4-77.3-94.2000110.8S154N72-S154 WeakPolarHBondContact CA-O 3.22Å; N72-S154 VanDerWaalsContact OD1-CB 3.32Å; N72-S154 WeakPolarHBondContact OD1-CB 3.37Å
73L96.7Very high96.1Very high6 Ų671.2 Ų71.23%0.03139%0.39CS..EExtended strand (participates in β ladder)trans-142.4141.9177.9-167.2149.9000110.4V84 V86 V127 S154 V155 W156L73-V84 HydrophobicContact CD1-CG1 4.26Å; L73-V84 HydrophobicContact CD2-CB 4.47Å; L73-V84 HydrophobicContact CD2-CG1 4.26Å; L73-V84 HydrophobicContact CG-CG1 4.1Å; L73-V86 HydrophobicContact CD1-CB 4.46Å; L73-V86 HydrophobicContact CD1-CG2 3.94Å; L73-V86 HydrophobicContact CG-CG2 4.48Å; L73-V127 HydrophobicContact CD2-CB 4.06Å; L73-V127 HydrophobicContact CD2-CG1 3.72Å; L73-V127 HydrophobicContact CD2-CG2 3.21Å; L73-V127 HydrophobicContact CG-CG2 4.49Å; L73-S154 PolarHBondContact N-O 2.83Å; L73-V155 CarbonylContact O-C 3.54Å; L73-V155 WeakPolarHBondContact O-CA 3.4Å; L73-W156 PolarHBondContact O-N 3.5Å
74I97.1Very high96.3Very high97 Ų9767.5 Ų67.550%0.49737%0.374SS..EExtended strand (participates in β ladder)trans-113125175.4-52.6175.4000108.5T76 W156I74-T76 VanDerWaalsContact C-N 3.27Å; I74-T76 HydrophobicContact CG2-CG2 3.97Å; I74-T76 PolarHBondContact O-N 3.3Å; I74-W156 HydrophobicContact CB-CB 4.37Å; I74-W156 HydrophobicContact CG1-CB 4.07Å; I74-W156 HydrophobicContact CG1-CG 4.34Å; I74-W156 HydrophobicContact CG2-CB 4.24Å
75N96.7Very high96.3Very high0 Ų070.4 Ų70.40%039%0.392CS..  trans-79.374178.3-167.1-7000111.7A77 I78 V127 E131 W156 P158N75-A77 PolarHBondContact O-N 3.34Å; N75-A77 VanDerWaalsContact OD1-CB 3.31Å; N75-A77 WeakPolarHBondContact OD1-CB 3.14Å; N75-A77 PolarHBondContact OD1-N 2.89Å; N75-I78 WeakPolarHBondContact O-CG2 3.38Å; N75-V127 HydrophobicContact CB-CB 4.32Å; N75-V127 HydrophobicContact CB-CG2 3.85Å; N75-E131 PolarHBondContact ND2-OE2 3.08Å; N75-W156 PolarHBondContact N-O 3.36Å; N75-P158 VanDerWaalsContact O-CD 3.26Å; N75-P158 WeakPolarHBondContact O-CD 3.35Å; N75-P158 WeakPolarHBondContact O-CG 3.45Å
76T96.1Very high96.3Very high62 Ų6270.6 Ų70.638%0.3839%0.394SS..THydrogen-bonded Turntrans-77.4-5.8170.159.50000112.6I74 I78 M79 S80 V84I74-T76 VanDerWaalsContact C-N 3.27Å; I74-T76 HydrophobicContact CG2-CG2 3.97Å; I74-T76 PolarHBondContact O-N 3.3Å; T76-I78 PolarHBondContact O-N 2.85Å; T76-M79 PolarHBondContact O-N 3.02Å; T76-S80 WeakPolarHBondContact O-CB 3.47Å; T76-S80 PolarHBondContact O-N 3.39Å; T76-S80 PolarHBondContact O-OG 2.78Å; T76-V84 WeakPolarHBondContact OG1-CG2 3.23Å
77A96.5Very high96.3Very high3 Ų370.5 Ų70.53%0.02541%0.407CS..Hα-helixtrans-65.5-27.7179.300000111.6N75 M79 G81 R82 D128N75-A77 PolarHBondContact O-N 3.34Å; N75-A77 VanDerWaalsContact OD1-CB 3.31Å; N75-A77 WeakPolarHBondContact OD1-CB 3.14Å; N75-A77 PolarHBondContact OD1-N 2.89Å; A77-M79 VanDerWaalsContact C-N 3.25Å; A77-M79 PolarHBondContact O-N 2.9Å; A77-G81 VanDerWaalsContact O-CA 3.23Å; A77-G81 WeakPolarHBondContact O-CA 3.45Å; A77-G81 PolarHBondContact O-N 2.59Å; A77-R82 WeakPolarHBondContact CA-O 3.23Å; A77-R82 WeakPolarHBondContact CB-O 3.5Å; A77-D128 VanDerWaalsContact CB-C 3.48Å
78I93.4Very high96.3Very high57 Ų5769 Ų6929%0.29240%0.398SS..Hα-helixtrans-61.4-31.4174-16761000113.5N75 T76 P158N75-I78 WeakPolarHBondContact O-CG2 3.38Å; T76-I78 PolarHBondContact O-N 2.85Å; I78-P158 HydrophobicContact CG2-CB 4.36Å; I78-P158 HydrophobicContact CG2-CG 3.87Å
79M92.9Very high96.3Very high114 Ų11469.4 Ų69.456%0.56240%0.396SS*.Hα-helixtrans-93.9-39.2178.4-62.1174.260.800112.5T76 A77 L162T76-M79 PolarHBondContact O-N 3.02Å; A77-M79 VanDerWaalsContact C-N 3.25Å; A77-M79 PolarHBondContact O-N 2.9Å; M79-L162 HydrophobicContact CE-CD1 3.38Å; M79-L162 HydrophobicContact CG-CD1 3.47Å; M79-L162 VanDerWaalsContact CG-CD1 3.47Å; M79-L162 HydrophobicContact SD-CD1 3.26Å; M79-L162 WeakPolarHBondContact SD-CD1 3.46Å
80S93.1Very high96.5Very high72 Ų7266.7 Ų66.750%0.50337%0.368SS..Hα-helixtrans-96.6-16.6-169.962.40000114T76 R82T76-S80 WeakPolarHBondContact O-CB 3.47Å; T76-S80 PolarHBondContact O-N 3.39Å; T76-S80 PolarHBondContact O-OG 2.78Å; S80-R82 PolarHBondContact O-N 2.72Å; S80-R82 PolarHBondContact OG-N 2.7Å
81G94.9Very high96.6Very high68 Ų6859.6 Ų59.670%0.70134%0.339SS*.  trans66.35.1-169.200000114.2A77A77-G81 VanDerWaalsContact O-CA 3.23Å; A77-G81 WeakPolarHBondContact O-CA 3.45Å; A77-G81 PolarHBondContact O-N 2.59Å
82R97.4Very high96.6Very high197 Ų19756.6 Ų56.674%0.74332%0.32SS*.  trans-104.1124.8-177.3-175.5178.6176.6-179.80110.6A77 S80 V84A77-R82 WeakPolarHBondContact CA-O 3.23Å; A77-R82 WeakPolarHBondContact CB-O 3.5Å; S80-R82 PolarHBondContact O-N 2.72Å; S80-R82 PolarHBondContact OG-N 2.7Å; R82-V84 PolarHBondContact O-N 2.95Å
83Q97.7Very high96.6Very high103 Ų10354.3 Ų54.348%0.48131%0.309SS..  trans-56.2136.3175.5-173-175.2400111.8Y126 V127 D128Q83-Y126 HydrophobicContact CG-CD2 4.23Å; Q83-V127 WeakPolarHBondContact CA-O 3.43Å; Q83-V127 VanDerWaalsContact CG-O 3.29Å; Q83-V127 WeakPolarHBondContact CG-O 3.4Å; Q83-D128 HydrophobicContact CB-CB 4.5Å; Q83-D128 HydrophobicContact CG-CB 4.27Å
84V97.8Very high96.6Very high39 Ų3954.8 Ų54.824%0.23631%0.312CS..EExtended strand (participates in β ladder)trans-110128.1172.1-179.40000107.8L73 T76 R82 Y126 V127L73-V84 HydrophobicContact CD1-CG1 4.26Å; L73-V84 HydrophobicContact CD2-CB 4.47Å; L73-V84 HydrophobicContact CD2-CG1 4.26Å; L73-V84 HydrophobicContact CG-CG1 4.1Å; T76-V84 WeakPolarHBondContact OG1-CG2 3.23Å; R82-V84 PolarHBondContact O-N 2.95Å; V84-Y126 CarbonylContact O-C 3.59Å; V84-Y126 VanDerWaalsContact O-CA 3.22Å; V84-Y126 WeakPolarHBondContact O-CA 3.41Å; V84-Y126 WeakPolarHBondContact O-CB 3.45Å; V84-V127 HydrophobicContact CB-CG2 4.05Å; V84-V127 PolarHBondContact N-O 3.47Å; V84-V127 PolarHBondContact O-N 3.03Å
85S97.6Very high96.5Very high76 Ų7656.4 Ų56.453%0.53132%0.317SS..EExtended strand (participates in β ladder)trans-132.8151.5179.463.10000111.9V125S85-V125 CarbonylContact C-O 3.6Å; S85-V125 VanDerWaalsContact CA-O 3.31Å; S85-V125 WeakPolarHBondContact CA-O 3.21Å
86V97.2Very high96.3Very high21 Ų2159.7 Ų59.713%0.12735%0.345CS..EExtended strand (participates in β ladder)trans-129.3129.1177169.50000107.9K70 L73 A124 V125K70-V86 HydrophobicContact CB-CG1 3.73Å; K70-V86 WeakPolarHBondContact O-CG1 3.28Å; L73-V86 HydrophobicContact CD1-CB 4.46Å; L73-V86 HydrophobicContact CD1-CG2 3.94Å; L73-V86 HydrophobicContact CG-CG2 4.48Å; V86-A124 CarbonylContact O-C 3.58Å; V86-A124 WeakPolarHBondContact O-CA 3.31Å; V86-A124 WeakPolarHBondContact O-CB 3.29Å; V86-V125 HydrophobicContact CB-CG2 4.06Å; V86-V125 PolarHBondContact N-O 2.96Å; V86-V125 PolarHBondContact O-N 2.86Å
87A97.5Very high96.3Very high77 Ų7759.3 Ų59.364%0.63635%0.353SS*.EExtended strand (participates in β ladder)trans-68140.5176.400000111.2T123A87-T123 WeakPolarHBondContact CA-O 3.3Å
88V97.3Very high96.2Very high7 Ų763.9 Ų63.94%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-126.3140.6178.4177.20000108.6T67 T123 V125 F153T67-V88 HydrophobicContact CG2-CG1 3.84Å; V88-T123 PolarHBondContact N-O 2.86Å; V88-V125 HydrophobicContact CG2-CB 4.47Å; V88-V125 HydrophobicContact CG2-CG1 3.98Å; V88-V125 HydrophobicContact CG2-CG2 4.02Å; V88-F153 HydrophobicContact CG2-CE1 4.22Å; V88-F153 HydrophobicContact CG2-CZ 4.02Å
89K98.1Very high96.4Very high98 Ų9865.3 Ų65.343%0.42639%0.387SS..EExtended strand (participates in β ladder)trans-116.9141166.1-65.8-175163.9-141.20109.5T67 L68 E101 T103T67-K89 CarbonylContact C-O 3.59Å; T67-K89 VanDerWaalsContact CA-O 3.23Å; T67-K89 WeakPolarHBondContact CA-O 3.4Å; L68-K89 HydrophobicContact CB-CB 4.26Å; L68-K89 PolarHBondContact N-O 3.5Å; L68-K89 PolarHBondContact O-N 2.98Å; K89-E101 IonicContact NZ-OE1 3.37Å; K89-E101 IonicContact NZ-OE2 3.1Å; K89-E101 PolarHBondContact NZ-OE2 2.92Å; K89-T103 WeakPolarHBondContact CA-OG1 3.36Å
90V98.3Very high96.7Very high0 Ų062.3 Ų62.30%038%0.377CS..EExtended strand (participates in β ladder)trans-107.5126.9174.7-175.30000108.5L65 T67 V102 T103 C122 I142L65-V90 HydrophobicContact CD2-CG1 4.48Å; T67-V90 HydrophobicContact CG2-CG2 4.44Å; V90-V102 HydrophobicContact CB-CG2 4.4Å; V90-V102 HydrophobicContact CG1-CG2 3.94Å; V90-V102 PolarHBondContact O-N 3.11Å; V90-T103 PolarHBondContact N-OG1 3.37Å; V90-T103 PolarHBondContact O-N 2.57Å; V90-T103 PolarHBondContact O-OG1 2.96Å; V90-C122 HydrophobicContact CG2-CB 3.66Å; V90-I142 HydrophobicContact CG1-CG2 3.78Å; V90-I142 HydrophobicContact CG2-CD1 4.36Å; V90-I142 HydrophobicContact CG2-CG2 4.1Å
91C98.3Very high96.9Very high10 Ų1064 Ų647%0.06838%0.377CS..EExtended strand (participates in β ladder)trans-117142.3176.6-66.70000110L65 F66 V99 S100L65-C91 WeakPolarHBondContact CA-O 3.22Å; F66-C91 HydrophobicContact CD1-CB 4.18Å; F66-C91 HydrophobicContact CD2-CB 4.16Å; F66-C91 HydrophobicContact CE1-CB 3.64Å; F66-C91 HydrophobicContact CE2-CB 3.62Å; F66-C91 HydrophobicContact CG-CB 4.42Å; F66-C91 HydrophobicContact CZ-CB 3.33Å; F66-C91 PolarHBondContact N-O 2.97Å; F66-C91 PolarHBondContact O-N 3.1Å; C91-V99 HydrophobicContact CB-CG1 4.31Å; C91-S100 CarbonylContact C-O 3.57Å; C91-S100 VanDerWaalsContact CA-O 3.31Å; C91-S100 WeakPolarHBondContact CA-O 3.35Å
92S97.8Very high97Very high1 Ų161.4 Ų61.41%0.00735%0.347CS..EExtended strand (participates in β ladder)trans-100.4151.4169.267.50000110.5G64 V99 S100G64-S92 WeakPolarHBondContact O-CA 3.44Å; S92-V99 VanDerWaalsContact O-CA 3.3Å; S92-V99 WeakPolarHBondContact O-CA 3.43Å; S92-S100 PolarHBondContact N-O 2.85Å; S92-S100 PolarHBondContact O-N 2.76Å; S92-S100 VanDerWaalsContact O-N 3.15Å; S92-S100 PolarHBondContact OG-OG 3.05Å
93V97.4Very high97Very high33 Ų3352.3 Ų52.320%0.231%0.314CS..EExtended strand (participates in β ladder)trans-124134167.557.10000108.5M63 G64 F66 I98M63-V93 WeakPolarHBondContact CA-O 3.35Å; M63-V93 HydrophobicContact CB-CG1 4.25Å; M63-V93 WeakPolarHBondContact CB-O 3.41Å; M63-V93 HydrophobicContact CG-CG1 4.48Å; M63-V93 PolarHBondContact N-O 2.94Å; M63-V93 HydrophobicContact SD-CG2 4.44Å; G64-V93 PolarHBondContact N-O 2.77Å; G64-V93 VanDerWaalsContact N-O 3.15Å; G64-V93 PolarHBondContact O-N 3.22Å; F66-V93 HydrophobicContact CE1-CB 4.45Å; V93-I98 WeakPolarHBondContact CA-O 3.47Å
94T96Very high97Very high16 Ų1654.4 Ų54.410%0.09833%0.327CS..EExtended strand (participates in β ladder)trans-99.5166.2175.373.40000111.8D60 S61 L62 A96 G97 I98D60-T94 VanDerWaalsContact CG-CB 3.49Å; D60-T94 WeakPolarHBondContact OD1-CB 3.42Å; D60-T94 PolarHBondContact OD1-OG1 3.32Å; D60-T94 WeakPolarHBondContact OD2-CB 3.49Å; D60-T94 WeakPolarHBondContact OD2-CG2 3.35Å; D60-T94 PolarHBondContact OD2-OG1 2.91Å; S61-T94 VanDerWaalsContact O-CA 3.32Å; S61-T94 WeakPolarHBondContact O-CA 3.38Å; S61-T94 WeakPolarHBondContact O-CB 3.28Å; L62-T94 HydrophobicContact CD2-CG2 4.41Å; T94-A96 PolarHBondContact O-N 2.98Å; T94-A96 PolarHBondContact OG1-N 2.89Å; T94-G97 WeakPolarHBondContact O-CA 3.47Å; T94-G97 PolarHBondContact O-N 2.92Å; T94-I98 HydrophobicContact CG2-CB 4.36Å; T94-I98 PolarHBondContact N-O 2.85Å; T94-I98 WeakPolarHBondContact OG1-CB 3.23Å; T94-I98 PolarHBondContact OG1-N 2.9Å
95H94.2Very high97Very high131 Ų13156.8 Ų56.861%0.60635%0.346SS*.THydrogen-bonded Turntrans-64.4-26175.1-82.7-83.6000113D60 S61 G97D60-H95 PolarHBondContact OD1-N 3.1Å; S61-H95 PolarHBondContact O-N 2.89Å; S61-H95 PolarHBondContact OG-CD2 2.98Å; S61-H95 VanDerWaalsContact OG-CD2 3.23Å; H95-G97 PolarHBondContact O-N 3.06Å
96A93Very high97Very high69 Ų6953.3 Ų53.357%0.5732%0.322SS*.THydrogen-bonded Turntrans-73.4-1.5169.300000114.1D60 T94 I98D60-A96 PolarHBondContact OD1-N 3.07Å; D60-A96 VanDerWaalsContact OD1-N 3.08Å; D60-A96 WeakPolarHBondContact OD2-CB 3.01Å; T94-A96 PolarHBondContact O-N 2.98Å; T94-A96 PolarHBondContact OG1-N 2.89Å; A96-I98 HydrophobicContact CB-CD1 4.39Å; A96-I98 HydrophobicContact CB-CG1 4.33Å
97G95.3Very high97.1Very high53 Ų5355.4 Ų55.455%0.54634%0.335SS..  trans79.116.1-179.800000114.2T94 H95T94-G97 WeakPolarHBondContact O-CA 3.47Å; T94-G97 PolarHBondContact O-N 2.92Å; H95-G97 PolarHBondContact O-N 3.06Å
98I96Very high97.1Very high99 Ų9951.9 Ų51.951%0.50831%0.305SS..  trans-79.8127.8177.4-59.2174000108.6V93 T94 A96V93-I98 WeakPolarHBondContact CA-O 3.47Å; T94-I98 HydrophobicContact CG2-CB 4.36Å; T94-I98 PolarHBondContact N-O 2.85Å; T94-I98 WeakPolarHBondContact OG1-CB 3.23Å; T94-I98 PolarHBondContact OG1-N 2.9Å; A96-I98 HydrophobicContact CB-CD1 4.39Å; A96-I98 HydrophobicContact CB-CG1 4.33Å
99V97.7Very high97.1Very high87 Ų8756.7 Ų56.753%0.52733%0.326SS..EExtended strand (participates in β ladder)trans-105.9127.5174.7-179.60000109.5F66 C91 S92F66-V99 HydrophobicContact CE1-CG1 4.34Å; F66-V99 HydrophobicContact CZ-CG1 3.93Å; C91-V99 HydrophobicContact CB-CG1 4.31Å; S92-V99 VanDerWaalsContact O-CA 3.3Å; S92-V99 WeakPolarHBondContact O-CA 3.43Å
100S97.1Very high97.1Very high51 Ų5153.2 Ų53.236%0.35731%0.314SS..EExtended strand (participates in β ladder)trans-136.6143177.764.90000112.1C91 S92C91-S100 CarbonylContact C-O 3.57Å; C91-S100 VanDerWaalsContact CA-O 3.31Å; C91-S100 WeakPolarHBondContact CA-O 3.35Å; S92-S100 PolarHBondContact N-O 2.85Å; S92-S100 PolarHBondContact O-N 2.76Å; S92-S100 VanDerWaalsContact O-N 3.15Å; S92-S100 PolarHBondContact OG-OG 3.05Å
101E97.7Very high97.1Very high109 Ų10955.4 Ų55.451%0.50933%0.332SS..EExtended strand (participates in β ladder)trans-76.3124172.9-175.3173.3173.800109.4K89 T103K89-E101 IonicContact NZ-OE1 3.37Å; K89-E101 IonicContact NZ-OE2 3.1Å; K89-E101 PolarHBondContact NZ-OE2 2.92Å; E101-T103 WeakPolarHBondContact CG-OG1 3.31Å; E101-T103 PolarHBondContact OE1-OG1 3.45Å; E101-T103 VanDerWaalsContact OE1-OG1 3.11Å
102V98Very high97Very high12 Ų1257.6 Ų57.67%0.07334%0.341CS..  trans-126.214.6-175.1-63.90000112.2L65 V90 L104 S105 S106 F144L65-V102 HydrophobicContact CD2-CG2 4.22Å; V90-V102 HydrophobicContact CB-CG2 4.4Å; V90-V102 HydrophobicContact CG1-CG2 3.94Å; V90-V102 PolarHBondContact O-N 3.11Å; V102-L104 PolarHBondContact O-N 2.94Å; V102-S105 CarbonylContact O-C 3.59Å; V102-S105 PolarHBondContact O-N 2.92Å; V102-S106 PolarHBondContact O-N 3.48Å; V102-S106 PolarHBondContact O-OG 2.97Å; V102-F144 HydrophobicContact CB-CD1 4.41Å; V102-F144 HydrophobicContact CB-CD2 3.93Å; V102-F144 HydrophobicContact CB-CE1 4.2Å; V102-F144 HydrophobicContact CB-CE2 3.72Å; V102-F144 HydrophobicContact CB-CG 4.27Å; V102-F144 HydrophobicContact CB-CZ 3.85Å; V102-F144 HydrophobicContact CG1-CD1 4.44Å; V102-F144 HydrophobicContact CG1-CD2 4.48Å; V102-F144 HydrophobicContact CG1-CE1 3.8Å; V102-F144 HydrophobicContact CG1-CE2 3.87Å; V102-F144 HydrophobicContact CG1-CZ 3.48Å; V102-F144 VanDerWaalsContact CG1-CZ 3.48Å; V102-F144 HydrophobicContact CG2-CD1 4.17Å; V102-F144 HydrophobicContact CG2-CD2 4.21Å; V102-F144 HydrophobicContact CG2-CE1 4.35Å; V102-F144 HydrophobicContact CG2-CE2 4.42Å; V102-F144 HydrophobicContact CG2-CG 4.08Å; V102-F144 HydrophobicContact CG2-CZ 4.48Å
103T98Very high97Very high6 Ų661.3 Ų61.34%0.03737%0.365CS..G310 helixtrans-47.5-53.6-175.3-46.30000113K89 V90 E101 S105 S106 C122 T123K89-T103 WeakPolarHBondContact CA-OG1 3.36Å; V90-T103 PolarHBondContact N-OG1 3.37Å; V90-T103 PolarHBondContact O-N 2.57Å; V90-T103 PolarHBondContact O-OG1 2.96Å; E101-T103 WeakPolarHBondContact CG-OG1 3.31Å; E101-T103 PolarHBondContact OE1-OG1 3.45Å; E101-T103 VanDerWaalsContact OE1-OG1 3.11Å; T103-S105 PolarHBondContact O-N 2.02Å; T103-S106 PolarHBondContact O-N 2.88Å; T103-C122 HydrophobicContact CG2-CB 4.16Å; T103-T123 HydrophobicContact CG2-CG2 4.46Å
104L97.5Very high97Very high147 Ų14762 Ų6277%0.7737%0.371SS*.G310 helixtrans-74.6-12.4-175.8-61.1178.8000114V102 T123V102-L104 PolarHBondContact O-N 2.94Å; L104-T123 HydrophobicContact CD2-CG2 4.09Å
105S97.3Very high97.1Very high90 Ų9061.2 Ų61.263%0.62937%0.367SS*.G310 helixtrans-103-1.6176.6-55.60000112.3V102 T103V102-S105 CarbonylContact O-C 3.59Å; V102-S105 PolarHBondContact O-N 2.92Å; T103-S105 PolarHBondContact O-N 2.02Å
106S98Very high97.3Very high3 Ų355 Ų552%0.02134%0.338CS..  trans-99.1152.2178.1-54.50000110.3V102 T103 E143V102-S106 PolarHBondContact O-N 3.48Å; V102-S106 PolarHBondContact O-OG 2.97Å; T103-S106 PolarHBondContact O-N 2.88Å; S106-E143 CarbonylContact C-O 3.51Å; S106-E143 VanDerWaalsContact CA-O 3.31Å; S106-E143 WeakPolarHBondContact CA-O 3.34Å
107T98.2Very high97.5Very high65 Ų6553.6 Ų53.640%0.39932%0.319SS..EExtended strand (participates in β ladder)trans-112.9133.9172.448.60000110.5P120 E143T107-P120 WeakPolarHBondContact CA-O 3.27Å; T107-E143 PolarHBondContact N-O 2.87Å; T107-E143 PolarHBondContact O-N 3.34Å
108C98.2Very high97.7Very high2 Ų251.8 Ų51.81%0.01430%0.297CS..EExtended strand (participates in β ladder)trans-120.5141.6-177.7-76.10000113.1V118 P120 C122 E141C108-V118 HydrophobicContact CB-CB 4.5Å; C108-V118 HydrophobicContact CB-CG1 3.95Å; C108-V118 HydrophobicContact CB-CG2 3.7Å; C108-P120 PolarHBondContact N-O 2.86Å; C108-C122 HydrophobicContact CB-CB 3.97Å; C108-C122 WeakPolarHBondContact CB-SG 3.41Å; C108-C122 PolarHBondContact N-SG 3.29Å; C108-C122 VanDerWaalsContact SG-CA 3.5Å; C108-C122 WeakPolarHBondContact SG-CB 3.14Å; C108-C122 CovalentContact SG-SG 2.02Å; C108-C122 PolarHBondContact SG-SG 3Å; C108-E141 CarbonylContact C-O 3.59Å; C108-E141 VanDerWaalsContact CA-O 3.27Å; C108-E141 WeakPolarHBondContact CA-O 2.97Å
109F98.1Very high97.8Very high109 Ų10948.6 Ų48.648%0.47828%0.282SS..EExtended strand (participates in β ladder)trans-134.5149.4174.6-56.2-82.3000110.2V118 I140 E141F109-V118 VanDerWaalsContact C-CG1 3.41Å; F109-I140 CarbonylContact O-C 3.59Å; F109-I140 WeakPolarHBondContact O-CA 3.32Å; F109-E141 PolarHBondContact N-O 3.17Å; F109-E141 PolarHBondContact O-N 2.85Å
110S98.2Very high97.8Very high25 Ų2549 Ų4918%0.17529%0.287CS..EExtended strand (participates in β ladder)trans-89.4130.2173.3178.40000109.9E112 L116S110-E112 VanDerWaalsContact C-N 3.28Å; S110-E112 VanDerWaalsContact OG-C 3.28Å; S110-E112 PolarHBondContact OG-N 2.86Å; S110-E112 PolarHBondContact OG-O 3Å; S110-L116 VanDerWaalsContact CB-O 3.22Å; S110-L116 WeakPolarHBondContact CB-O 3.27Å; S110-L116 PolarHBondContact OG-O 3.34Å
111A97.8Very high97.8Very high46 Ų4648.9 Ų48.938%0.3829%0.286SS..SBendtrans-71.8-27.5172.700000111.7A139 E141A111-A139 HydrophobicContact CB-CB 4.17Å; A111-A139 WeakPolarHBondContact CB-O 3.41Å; A111-A139 PolarHBondContact N-O 3.44Å; A111-E141 HydrophobicContact CB-CG 4.43Å
112E96.6Very high97.8Very high56 Ų5643.8 Ų43.826%0.26226%0.262SS..  trans-133.277.1-178.6-66.1177.7-92.600111.3S110 S114 V115 L116 R133S110-E112 VanDerWaalsContact C-N 3.28Å; S110-E112 VanDerWaalsContact OG-C 3.28Å; S110-E112 PolarHBondContact OG-N 2.86Å; S110-E112 PolarHBondContact OG-O 3Å; E112-S114 PolarHBondContact O-N 2.9Å; E112-V115 HydrophobicContact CB-CB 4.23Å; E112-V115 HydrophobicContact CB-CG2 4.17Å; E112-V115 PolarHBondContact O-N 2.68Å; E112-L116 PolarHBondContact O-N 2.92Å; E112-R133 IonicContact OE2-CZ 3.9Å; E112-R133 IonicContact OE2-NH2 2.74Å; E112-R133 PolarHBondContact OE2-NH2 3.23Å
113P97.4Very high97.7Very high78 Ų7845.8 Ų45.851%0.50628%0.275SS..THydrogen-bonded Turntrans-60.2-18.5179.5-24.534.3000114.7V115 L116P113-V115 PolarHBondContact O-N 3.15Å; P113-L116 WeakPolarHBondContact CA-O 3.36Å
114S96.8Very high97.7Very high48 Ų4846.2 Ų46.234%0.33628%0.279SS..THydrogen-bonded Turntrans-74.5-4.7173.259.60000114.1E112 E131 S132 R133E112-S114 PolarHBondContact O-N 2.9Å; S114-E131 CarbonylContact O-C 3.57Å; S114-E131 WeakPolarHBondContact O-CA 3.46Å; S114-E131 VanDerWaalsContact O-CB 3.32Å; S114-E131 WeakPolarHBondContact O-CB 3.43Å; S114-S132 PolarHBondContact O-N 2.63Å; S114-R133 PolarHBondContact OG-NH1 3.45Å
115V98Very high97.8Very high0 Ų039.3 Ų39.30%024%0.243CC..THydrogen-bonded Turntrans-128-44.9-177.2-177.30000111.7E112 P113 R133 A138 V155E112-V115 HydrophobicContact CB-CB 4.23Å; E112-V115 HydrophobicContact CB-CG2 4.17Å; E112-V115 PolarHBondContact O-N 2.68Å; P113-V115 PolarHBondContact O-N 3.15Å; V115-R133 HydrophobicContact CG2-CG 3.8Å; V115-R133 VanDerWaalsContact CG2-CZ 3.49Å; V115-A138 HydrophobicContact CG1-CB 3.88Å; V115-V155 HydrophobicContact CG1-CB 4Å; V115-V155 HydrophobicContact CG1-CG1 4.41Å; V115-V155 HydrophobicContact CG1-CG2 4.22Å
116L98.1Very high97.8Very high1 Ų137.6 Ų37.61%0.00522%0.223CC..  trans-145.1144.7-177.8-172.461000110.3S110 E112 P113 V125 V127 A138 I140 F153 V155S110-L116 VanDerWaalsContact CB-O 3.22Å; S110-L116 WeakPolarHBondContact CB-O 3.27Å; S110-L116 PolarHBondContact OG-O 3.34Å; E112-L116 PolarHBondContact O-N 2.92Å; P113-L116 WeakPolarHBondContact CA-O 3.36Å; L116-V125 HydrophobicContact CD1-CB 4.08Å; L116-V125 HydrophobicContact CD2-CB 4.27Å; L116-V125 HydrophobicContact CD2-CG1 4.29Å; L116-V125 HydrophobicContact CG-CB 4.33Å; L116-V127 HydrophobicContact CD1-CG1 4.13Å; L116-A138 HydrophobicContact CB-CB 4.15Å; L116-A138 HydrophobicContact CD2-CB 4.31Å; L116-I140 HydrophobicContact CD2-CG2 4.04Å; L116-F153 HydrophobicContact CD2-CB 3.65Å; L116-F153 HydrophobicContact CD2-CD2 3.92Å; L116-F153 HydrophobicContact CD2-CG 3.78Å; L116-V155 HydrophobicContact CB-CG2 4.04Å; L116-V155 HydrophobicContact CD1-CG2 3.88Å; L116-V155 HydrophobicContact CD2-CG2 4.22Å; L116-V155 HydrophobicContact CG-CG2 4.27Å
117K98.3Very high97.8Very high39 Ų3937.4 Ų37.417%0.1722%0.222CC..EExtended strand (participates in β ladder)trans-117.5158.8171.4-59175.4-171.8-179.10110.2V125 Y126 D128 T130 E131K117-V125 CarbonylContact O-C 3.5Å; K117-V125 VanDerWaalsContact O-CA 3.28Å; K117-V125 WeakPolarHBondContact O-CA 3.42Å; K117-Y126 HydrophobicContact CB-CD1 4.21Å; K117-Y126 HydrophobicContact CB-CD2 3.9Å; K117-Y126 HydrophobicContact CB-CE1 3.84Å; K117-Y126 HydrophobicContact CB-CE2 3.54Å; K117-Y126 HydrophobicContact CB-CG 4.24Å; K117-Y126 VanDerWaalsContact CB-CZ 3.48Å; K117-Y126 HydrophobicContact CD-CD2 4.25Å; K117-Y126 HydrophobicContact CD-CE2 3.54Å; K117-Y126 HydrophobicContact CG-CE2 4.18Å; K117-Y126 PolarHBondContact N-O 3.15Å; K117-Y126 PolarHBondContact O-N 2.81Å; K117-D128 IonicContact NZ-OD1 3.76Å; K117-D128 PolarHBondContact NZ-OD1 3.13Å; K117-D128 IonicContact NZ-OD2 3.58Å; K117-D128 PolarHBondContact NZ-OD2 3.29Å; K117-T130 WeakPolarHBondContact CE-OG1 3.49Å; K117-T130 PolarHBondContact NZ-OG1 3.44Å; K117-E131 WeakPolarHBondContact CE-OE1 2.98Å; K117-E131 IonicContact NZ-OE1 2.85Å
118V98.2Very high97.8Very high15 Ų1536.9 Ų36.99%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-137.2147.1178.966.40000109.5C108 F109 A124 V125 I140C108-V118 HydrophobicContact CB-CB 4.5Å; C108-V118 HydrophobicContact CB-CG1 3.95Å; C108-V118 HydrophobicContact CB-CG2 3.7Å; F109-V118 VanDerWaalsContact C-CG1 3.41Å; V118-A124 WeakPolarHBondContact CA-O 3.48Å; V118-V125 HydrophobicContact CB-CG1 4.14Å; V118-V125 HydrophobicContact CG2-CG1 3.87Å; V118-I140 HydrophobicContact CB-CG2 4.05Å; V118-I140 HydrophobicContact CG1-CB 4.5Å; V118-I140 HydrophobicContact CG1-CG2 4.32Å; V118-I140 HydrophobicContact CG2-CD1 4.13Å; V118-I140 HydrophobicContact CG2-CG2 4.44Å
119T98Very high97.6Very high31 Ų3137.7 Ų37.719%0.1923%0.225CC..  trans-71.4140.6170.957.60000109.6S121 C122 T123 A124 Y126T119-S121 PolarHBondContact O-N 3.05Å; T119-C122 PolarHBondContact O-N 2.87Å; T119-T123 PolarHBondContact OG1-N 2.96Å; T119-T123 PolarHBondContact OG1-OG1 2.84Å; T119-A124 HydrophobicContact CG2-CB 4.3Å; T119-A124 PolarHBondContact N-O 3.27Å; T119-A124 PolarHBondContact OG1-N 3.01Å; T119-A124 VanDerWaalsContact OG1-N 3.1Å; T119-A124 PolarHBondContact OG1-O 3.37Å; T119-Y126 HydrophobicContact CG2-CD1 4.32Å; T119-Y126 HydrophobicContact CG2-CE1 4.13Å
120P97.5Very high97.5Very high95 Ų9537.2 Ų37.262%0.61723%0.231SC*.THydrogen-bonded Turntrans-56.6-27.3179-27.935.5000114T107 C108 C122T107-P120 WeakPolarHBondContact CA-O 3.27Å; C108-P120 PolarHBondContact N-O 2.86Å; P120-C122 VanDerWaalsContact C-N 3.28Å; P120-C122 PolarHBondContact O-N 3.36Å
121S97.1Very high97.5Very high50 Ų5036.3 Ų36.335%0.3522%0.224SC..THydrogen-bonded Turntrans-85.111.2176.955.40000114.6T119 T123T119-S121 PolarHBondContact O-N 3.05Å; S121-T123 PolarHBondContact O-N 3.22Å; S121-T123 PolarHBondContact OG-OG1 2.74Å
122C97.7Very high97.3Very high1 Ų137.7 Ų37.71%0.00723%0.231CC..SBendtrans58.812.4178.8-57.40000115.8V90 T103 C108 T119 P120V90-C122 HydrophobicContact CG2-CB 3.66Å; T103-C122 HydrophobicContact CG2-CB 4.16Å; C108-C122 HydrophobicContact CB-CB 3.97Å; C108-C122 WeakPolarHBondContact CB-SG 3.41Å; C108-C122 PolarHBondContact N-SG 3.29Å; C108-C122 VanDerWaalsContact SG-CA 3.5Å; C108-C122 WeakPolarHBondContact SG-CB 3.14Å; C108-C122 CovalentContact SG-SG 2.02Å; C108-C122 PolarHBondContact SG-SG 3Å; T119-C122 PolarHBondContact O-N 2.87Å; P120-C122 VanDerWaalsContact C-N 3.28Å; P120-C122 PolarHBondContact O-N 3.36Å
123T97.7Very high97.3Very high54 Ų5440 Ų4033%0.33124%0.237SC..SBendtrans-76.4-27.3-174.353.80000113.5A87 V88 T103 L104 T119 S121A87-T123 WeakPolarHBondContact CA-O 3.3Å; V88-T123 PolarHBondContact N-O 2.86Å; T103-T123 HydrophobicContact CG2-CG2 4.46Å; L104-T123 HydrophobicContact CD2-CG2 4.09Å; T119-T123 PolarHBondContact OG1-N 2.96Å; T119-T123 PolarHBondContact OG1-OG1 2.84Å; S121-T123 PolarHBondContact O-N 3.22Å; S121-T123 PolarHBondContact OG-OG1 2.74Å
124A97.9Very high97.2Very high16 Ų1637.5 Ų37.513%0.13223%0.226CC..EExtended strand (participates in β ladder)trans-155.8147.1-179.100000112.6V86 V118 T119V86-A124 CarbonylContact O-C 3.58Å; V86-A124 WeakPolarHBondContact O-CA 3.31Å; V86-A124 WeakPolarHBondContact O-CB 3.29Å; V118-A124 WeakPolarHBondContact CA-O 3.48Å; T119-A124 HydrophobicContact CG2-CB 4.3Å; T119-A124 PolarHBondContact N-O 3.27Å; T119-A124 PolarHBondContact OG1-N 3.01Å; T119-A124 VanDerWaalsContact OG1-N 3.1Å; T119-A124 PolarHBondContact OG1-O 3.37Å
125V98.1Very high97.3Very high1 Ų136.8 Ų36.81%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-100.7147.2161.2-65.60000109.2S85 V86 V88 L116 K117 V118 I140 F153S85-V125 CarbonylContact C-O 3.6Å; S85-V125 VanDerWaalsContact CA-O 3.31Å; S85-V125 WeakPolarHBondContact CA-O 3.21Å; V86-V125 HydrophobicContact CB-CG2 4.06Å; V86-V125 PolarHBondContact N-O 2.96Å; V86-V125 PolarHBondContact O-N 2.86Å; V88-V125 HydrophobicContact CG2-CB 4.47Å; V88-V125 HydrophobicContact CG2-CG1 3.98Å; V88-V125 HydrophobicContact CG2-CG2 4.02Å; L116-V125 HydrophobicContact CD1-CB 4.08Å; L116-V125 HydrophobicContact CD2-CB 4.27Å; L116-V125 HydrophobicContact CD2-CG1 4.29Å; L116-V125 HydrophobicContact CG-CB 4.33Å; K117-V125 CarbonylContact O-C 3.5Å; K117-V125 VanDerWaalsContact O-CA 3.28Å; K117-V125 WeakPolarHBondContact O-CA 3.42Å; V118-V125 HydrophobicContact CB-CG1 4.14Å; V118-V125 HydrophobicContact CG2-CG1 3.87Å; V125-I140 HydrophobicContact CG1-CD1 4.06Å; V125-I140 HydrophobicContact CG1-CG2 4.08Å; V125-F153 HydrophobicContact CG1-CE1 4.19Å; V125-F153 HydrophobicContact CG1-CE2 4.18Å; V125-F153 HydrophobicContact CG1-CZ 3.92Å; V125-F153 HydrophobicContact CG2-CD1 4.01Å; V125-F153 HydrophobicContact CG2-CE1 3.73Å; V125-F153 HydrophobicContact CG2-CZ 4.3Å
126Y98.2Very high97.3Very high54 Ų5440 Ų4021%0.21225%0.247CC..EExtended strand (participates in β ladder)trans-153.4161.9-174.366.5-90000113.3Q83 V84 K117 T119Q83-Y126 HydrophobicContact CG-CD2 4.23Å; V84-Y126 CarbonylContact O-C 3.59Å; V84-Y126 VanDerWaalsContact O-CA 3.22Å; V84-Y126 WeakPolarHBondContact O-CA 3.41Å; V84-Y126 WeakPolarHBondContact O-CB 3.45Å; K117-Y126 HydrophobicContact CB-CD1 4.21Å; K117-Y126 HydrophobicContact CB-CD2 3.9Å; K117-Y126 HydrophobicContact CB-CE1 3.84Å; K117-Y126 HydrophobicContact CB-CE2 3.54Å; K117-Y126 HydrophobicContact CB-CG 4.24Å; K117-Y126 VanDerWaalsContact CB-CZ 3.48Å; K117-Y126 HydrophobicContact CD-CD2 4.25Å; K117-Y126 HydrophobicContact CD-CE2 3.54Å; K117-Y126 HydrophobicContact CG-CE2 4.18Å; K117-Y126 PolarHBondContact N-O 3.15Å; K117-Y126 PolarHBondContact O-N 2.81Å; T119-Y126 HydrophobicContact CG2-CD1 4.32Å; T119-Y126 HydrophobicContact CG2-CE1 4.13Å
127V98.2Very high97.2Very high0 Ų045.2 Ų45.20%028%0.275CS..EExtended strand (participates in β ladder)trans-131.9141.3167.5-63.40000109.4L73 N75 Q83 V84 L116 E131 V155L73-V127 HydrophobicContact CD2-CB 4.06Å; L73-V127 HydrophobicContact CD2-CG1 3.72Å; L73-V127 HydrophobicContact CD2-CG2 3.21Å; L73-V127 HydrophobicContact CG-CG2 4.49Å; N75-V127 HydrophobicContact CB-CB 4.32Å; N75-V127 HydrophobicContact CB-CG2 3.85Å; Q83-V127 WeakPolarHBondContact CA-O 3.43Å; Q83-V127 VanDerWaalsContact CG-O 3.29Å; Q83-V127 WeakPolarHBondContact CG-O 3.4Å; V84-V127 HydrophobicContact CB-CG2 4.05Å; V84-V127 PolarHBondContact N-O 3.47Å; V84-V127 PolarHBondContact O-N 3.03Å; L116-V127 HydrophobicContact CD1-CG1 4.13Å; V127-E131 VanDerWaalsContact CA-OE1 3.23Å; V127-E131 WeakPolarHBondContact CA-OE1 3.44Å; V127-E131 HydrophobicContact CB-CG 4.37Å; V127-E131 HydrophobicContact CG1-CG 4.13Å; V127-V155 HydrophobicContact CG1-CG1 4.24Å
128D96.8Very high97.2Very high54 Ų5443.3 Ų43.329%0.28927%0.267SS..  trans-121.33.8-17561.915000114.1A77 Q83 K117 T130 E131A77-D128 VanDerWaalsContact CB-C 3.48Å; Q83-D128 HydrophobicContact CB-CB 4.5Å; Q83-D128 HydrophobicContact CG-CB 4.27Å; K117-D128 IonicContact NZ-OD1 3.76Å; K117-D128 PolarHBondContact NZ-OD1 3.13Å; K117-D128 IonicContact NZ-OD2 3.58Å; K117-D128 PolarHBondContact NZ-OD2 3.29Å; D128-T130 WeakPolarHBondContact OD1-CB 3.45Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.31Å; D128-T130 PolarHBondContact OD1-N 3.2Å; D128-T130 VanDerWaalsContact OD1-N 3.14Å; D128-T130 PolarHBondContact OD1-OG1 3.08Å; D128-E131 PolarHBondContact N-OE1 2.91Å; D128-E131 VanDerWaalsContact N-OE1 3.08Å; D128-E131 PolarHBondContact N-OE2 3.01Å
129G95.7Very high97.2Very high18 Ų1842.9 Ų42.919%0.18627%0.265CS..SBendtrans94.30.2177.400000113.3E131G129-E131 VanDerWaalsContact C-N 3.35Å; G129-E131 WeakPolarHBondContact CA-OE2 3.36Å; G129-E131 PolarHBondContact N-OE2 3.32Å
130T96Very high97.2Very high100 Ų10041.4 Ų41.461%0.61326%0.256SS*.  trans-88.3-5172.963.80000113.2K117 D128K117-T130 WeakPolarHBondContact CE-OG1 3.49Å; K117-T130 PolarHBondContact NZ-OG1 3.44Å; D128-T130 WeakPolarHBondContact OD1-CB 3.45Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.31Å; D128-T130 PolarHBondContact OD1-N 3.2Å; D128-T130 VanDerWaalsContact OD1-N 3.14Å; D128-T130 PolarHBondContact OD1-OG1 3.08Å
131E96.5Very high97.2Very high5 Ų540 Ų402%0.02324%0.241CC..  trans-71147176.3-57.476-16400111.1N75 S114 K117 V127 D128 G129 Y157N75-E131 PolarHBondContact ND2-OE2 3.08Å; S114-E131 CarbonylContact O-C 3.57Å; S114-E131 WeakPolarHBondContact O-CA 3.46Å; S114-E131 VanDerWaalsContact O-CB 3.32Å; S114-E131 WeakPolarHBondContact O-CB 3.43Å; K117-E131 WeakPolarHBondContact CE-OE1 2.98Å; K117-E131 IonicContact NZ-OE1 2.85Å; V127-E131 VanDerWaalsContact CA-OE1 3.23Å; V127-E131 WeakPolarHBondContact CA-OE1 3.44Å; V127-E131 HydrophobicContact CB-CG 4.37Å; V127-E131 HydrophobicContact CG1-CG 4.13Å; D128-E131 PolarHBondContact N-OE1 2.91Å; D128-E131 VanDerWaalsContact N-OE1 3.08Å; D128-E131 PolarHBondContact N-OE2 3.01Å; G129-E131 VanDerWaalsContact C-N 3.35Å; G129-E131 WeakPolarHBondContact CA-OE2 3.36Å; G129-E131 PolarHBondContact N-OE2 3.32Å; E131-Y157 VanDerWaalsContact O-CE2 3.32Å; E131-Y157 WeakPolarHBondContact O-CE2 3.33Å
132S95Very high97.3Very high75 Ų7537.6 Ų37.652%0.52422%0.224SC..  trans-102.8-14.4-17360.80000114.4S114S114-S132 PolarHBondContact O-N 2.63Å
133R95.7Very high97.3Very high105 Ų10540 Ų4040%0.39624%0.236SC..  trans-160171.9179.969.1179.8-172.7-72-1.7111.4E112 S114 V115E112-R133 IonicContact OE2-CZ 3.9Å; E112-R133 IonicContact OE2-NH2 2.74Å; E112-R133 PolarHBondContact OE2-NH2 3.23Å; S114-R133 PolarHBondContact OG-NH1 3.45Å; V115-R133 HydrophobicContact CG2-CG 3.8Å; V115-R133 VanDerWaalsContact CG2-CZ 3.49Å
134G96.4Very high97.3Very high25 Ų2539.5 Ų39.526%0.25823%0.229SC..  trans-94.9172.8167.300000111.8V155G134-V155 CarbonylContact C-O 3.46Å; G134-V155 WeakPolarHBondContact CA-O 3.29Å
135S97.9Very high97.1Very high33 Ų3342.2 Ų42.223%0.23126%0.258CS..EExtended strand (participates in β ladder)trans-156140171.2-178.30000110N137 A138 S154 V155S135-N137 VanDerWaalsContact C-N 3.25Å; S135-N137 PolarHBondContact O-N 3.42Å; S135-N137 PolarHBondContact OG-N 3.46Å; S135-A138 PolarHBondContact OG-N 3.03Å; S135-S154 CarbonylContact O-C 3.54Å; S135-S154 WeakPolarHBondContact O-CA 3.28Å; S135-V155 PolarHBondContact N-O 3.12Å; S135-V155 PolarHBondContact O-N 3.38Å
136A97.5Very high96.8Very high67 Ų6751.3 Ų51.355%0.55430%0.3SS*.EExtended strand (participates in β ladder)trans-70.7-24.6171.700000112.5F153 S154A136-F153 CarbonylContact C-O 3.51Å; A136-S154 PolarHBondContact O-OG 2.93Å
137N97.2Very high96.6Very high111 Ų11150.9 Ų50.959%0.59430%0.301SS*.EExtended strand (participates in β ladder)trans-130.341.4-170-64.9-31.8000112S135 A139 F152S135-N137 VanDerWaalsContact C-N 3.25Å; S135-N137 PolarHBondContact O-N 3.42Å; S135-N137 PolarHBondContact OG-N 3.46Å; N137-A139 PolarHBondContact O-N 2.91Å; N137-F152 HydrophobicContact CB-CD1 4.41Å
138A97.8Very high96.6Very high0 Ų058 Ų580%033%0.332CS..EExtended strand (participates in β ladder)trans-64127.3174.400000109.6V115 L116 S135 F152 F153 V155V115-A138 HydrophobicContact CG1-CB 3.88Å; L116-A138 HydrophobicContact CB-CB 4.15Å; L116-A138 HydrophobicContact CD2-CB 4.31Å; S135-A138 PolarHBondContact OG-N 3.03Å; A138-F152 CarbonylContact O-C 3.58Å; A138-F152 WeakPolarHBondContact O-CA 3.42Å; A138-F153 PolarHBondContact N-O 3.04Å; A138-F153 PolarHBondContact O-N 2.91Å; A138-V155 HydrophobicContact CB-CG2 4Å
139A97.9Very high96.6Very high6 Ų657.6 Ų57.65%0.0533%0.332CS..EExtended strand (participates in β ladder)trans-105.1139.3-17700000112.4A111 N137 A151 F152A111-A139 HydrophobicContact CB-CB 4.17Å; A111-A139 WeakPolarHBondContact CB-O 3.41Å; A111-A139 PolarHBondContact N-O 3.44Å; N137-A139 PolarHBondContact O-N 2.91Å; A139-A151 WeakPolarHBondContact CA-O 3.41Å; A139-F152 HydrophobicContact CB-CD1 3.94Å; A139-F152 HydrophobicContact CB-CE1 3.87Å
140I98Very high96.7Very high0 Ų063.5 Ų63.50%035%0.348CS..EExtended strand (participates in β ladder)trans-106.3143.7159.171.2176.3000108.8F109 L116 V118 V125 I142 R150 A151 F153F109-I140 CarbonylContact O-C 3.59Å; F109-I140 WeakPolarHBondContact O-CA 3.32Å; L116-I140 HydrophobicContact CD2-CG2 4.04Å; V118-I140 HydrophobicContact CB-CG2 4.05Å; V118-I140 HydrophobicContact CG1-CB 4.5Å; V118-I140 HydrophobicContact CG1-CG2 4.32Å; V118-I140 HydrophobicContact CG2-CD1 4.13Å; V118-I140 HydrophobicContact CG2-CG2 4.44Å; V125-I140 HydrophobicContact CG1-CD1 4.06Å; V125-I140 HydrophobicContact CG1-CG2 4.08Å; I140-I142 HydrophobicContact CD1-CD1 4.22Å; I140-I142 HydrophobicContact CD1-CG1 4.22Å; I140-I142 HydrophobicContact CG1-CD1 4.36Å; I140-I142 HydrophobicContact CG1-CG1 4.13Å; I140-R150 VanDerWaalsContact O-CA 3.28Å; I140-R150 WeakPolarHBondContact O-CA 3.41Å; I140-A151 HydrophobicContact CD1-CB 4.29Å; I140-A151 HydrophobicContact CG1-CB 3.9Å; I140-A151 PolarHBondContact N-O 2.91Å; I140-A151 PolarHBondContact O-N 3.05Å; I140-F153 HydrophobicContact CD1-CE2 3.57Å; I140-F153 HydrophobicContact CD1-CZ 4.07Å; I140-F153 HydrophobicContact CG1-CD2 4.45Å; I140-F153 HydrophobicContact CG1-CE2 3.78Å; I140-F153 HydrophobicContact CG2-CD2 4.35Å; I140-F153 HydrophobicContact CG2-CE2 4.28Å
141E98.2Very high96.8Very high64 Ų6459.1 Ų59.130%0.29932%0.323SS..EExtended strand (participates in β ladder)trans-96.7131173.7-57.8-165.4150.300108.8C108 F109 A111 T149 R150C108-E141 CarbonylContact C-O 3.59Å; C108-E141 VanDerWaalsContact CA-O 3.27Å; C108-E141 WeakPolarHBondContact CA-O 2.97Å; F109-E141 PolarHBondContact N-O 3.17Å; F109-E141 PolarHBondContact O-N 2.85Å; A111-E141 HydrophobicContact CB-CG 4.43Å; E141-T149 WeakPolarHBondContact CA-O 3.39Å; E141-R150 HydrophobicContact CG-CG 4.21Å; E141-R150 IonicContact OE1-CZ 2.7Å; E141-R150 IonicContact OE1-NE 3.99Å; E141-R150 PolarHBondContact OE1-NE 3.02Å; E141-R150 VanDerWaalsContact OE1-NE 3.1Å; E141-R150 IonicContact OE1-NH2 2.95Å; E141-R150 PolarHBondContact OE1-NH2 2.82Å
142I98.4Very high96.8Very high1 Ų164.6 Ų64.61%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-122.8126.4-176.2-50.8175000107.4L65 T67 V90 I140 K148 T149 A151L65-I142 HydrophobicContact CD1-CG2 4.27Å; T67-I142 HydrophobicContact CG2-CD1 3.27Å; V90-I142 HydrophobicContact CG1-CG2 3.78Å; V90-I142 HydrophobicContact CG2-CD1 4.36Å; V90-I142 HydrophobicContact CG2-CG2 4.1Å; I140-I142 HydrophobicContact CD1-CD1 4.22Å; I140-I142 HydrophobicContact CD1-CG1 4.22Å; I140-I142 HydrophobicContact CG1-CD1 4.36Å; I140-I142 HydrophobicContact CG1-CG1 4.13Å; I142-K148 CarbonylContact O-C 3.49Å; I142-K148 WeakPolarHBondContact O-CA 3.23Å; I142-T149 HydrophobicContact CB-CG2 3.93Å; I142-T149 HydrophobicContact CD1-CG2 4.28Å; I142-T149 HydrophobicContact CG1-CG2 4.45Å; I142-T149 PolarHBondContact N-O 3.46Å; I142-T149 PolarHBondContact O-N 3.2Å; I142-A151 HydrophobicContact CD1-CB 3.85Å
143E97.8Very high97Very high52 Ų5261.3 Ų61.324%0.24332%0.323CS..EExtended strand (participates in β ladder)trans-118.6129.2177.6-47.4-170.6151.500109.8S106 T107 I147 K148S106-E143 CarbonylContact C-O 3.51Å; S106-E143 VanDerWaalsContact CA-O 3.31Å; S106-E143 WeakPolarHBondContact CA-O 3.34Å; T107-E143 PolarHBondContact N-O 2.87Å; T107-E143 PolarHBondContact O-N 3.34Å; E143-I147 WeakPolarHBondContact CA-O 3.49Å; E143-K148 HydrophobicContact CB-CG 4.38Å; E143-K148 HydrophobicContact CG-CD 4.15Å; E143-K148 HydrophobicContact CG-CG 3.95Å; E143-K148 VanDerWaalsContact OE1-CD 3.27Å; E143-K148 WeakPolarHBondContact OE1-CD 3.15Å; E143-K148 WeakPolarHBondContact OE1-CE 3.4Å; E143-K148 IonicContact OE1-NZ 2.77Å; E143-K148 PolarHBondContact OE1-NZ 3.19Å; E143-K148 IonicContact OE2-NZ 2.68Å
144F97.6Very high97.1Very high43 Ų4357.9 Ų57.919%0.18932%0.315CS..EExtended strand (participates in β ladder)trans-147.9118.4172.7174.8-104000109.8L62 L65 V102 E146 I147L62-F144 HydrophobicContact CD1-CD1 3.81Å; L62-F144 HydrophobicContact CD1-CE1 3.79Å; L62-F144 HydrophobicContact CD2-CD1 4.38Å; L62-F144 HydrophobicContact CD2-CE1 3.94Å; L65-F144 HydrophobicContact CD1-CB 3.76Å; L65-F144 HydrophobicContact CD2-CB 3.97Å; L65-F144 HydrophobicContact CD2-CD1 3.91Å; L65-F144 HydrophobicContact CD2-CG 4.29Å; L65-F144 HydrophobicContact CG-CB 4.5Å; V102-F144 HydrophobicContact CB-CD1 4.41Å; V102-F144 HydrophobicContact CB-CD2 3.93Å; V102-F144 HydrophobicContact CB-CE1 4.2Å; V102-F144 HydrophobicContact CB-CE2 3.72Å; V102-F144 HydrophobicContact CB-CG 4.27Å; V102-F144 HydrophobicContact CB-CZ 3.85Å; V102-F144 HydrophobicContact CG1-CD1 4.44Å; V102-F144 HydrophobicContact CG1-CD2 4.48Å; V102-F144 HydrophobicContact CG1-CE1 3.8Å; V102-F144 HydrophobicContact CG1-CE2 3.87Å; V102-F144 HydrophobicContact CG1-CZ 3.48Å; V102-F144 VanDerWaalsContact CG1-CZ 3.48Å; V102-F144 HydrophobicContact CG2-CD1 4.17Å; V102-F144 HydrophobicContact CG2-CD2 4.21Å; V102-F144 HydrophobicContact CG2-CE1 4.35Å; V102-F144 HydrophobicContact CG2-CE2 4.42Å; V102-F144 HydrophobicContact CG2-CG 4.08Å; V102-F144 HydrophobicContact CG2-CZ 4.48Å; F144-E146 PolarHBondContact O-N 2.99Å; F144-I147 PolarHBondContact N-O 2.98Å; F144-I147 PolarHBondContact O-N 3.17Å; F144-I147 VanDerWaalsContact O-N 3.13Å
145G93.4Very high97.2Very high72 Ų7257 Ų5774%0.74231%0.305SS*.THydrogen-bonded Turntrans59.6-123.9-172.500000111.2
146E91.9Very high97.2Very high192 Ų19263.1 Ų63.190%0.89732%0.323SS*.THydrogen-bonded Turntrans-91.7-6.9179.4-62.1174.7-174.700113F144F144-E146 PolarHBondContact O-N 2.99Å
147I95.3Very high97.1Very high46 Ų4663.5 Ų63.524%0.23631%0.31CS..EExtended strand (participates in β ladder)trans-94.6129.3-176.3-58.1-62.2000110.2L62 L65 E143 F144L62-I147 HydrophobicContact CB-CG1 3.87Å; L62-I147 HydrophobicContact CD1-CG1 4.33Å; L65-I147 HydrophobicContact CD1-CB 4.09Å; L65-I147 HydrophobicContact CD1-CG2 3.76Å; L65-I147 HydrophobicContact CG-CB 4.27Å; L65-I147 HydrophobicContact CG-CG2 3.8Å; E143-I147 WeakPolarHBondContact CA-O 3.49Å; F144-I147 PolarHBondContact N-O 2.98Å; F144-I147 PolarHBondContact O-N 3.17Å; F144-I147 VanDerWaalsContact O-N 3.13Å
148K97Very high96.9Very high150 Ų15059.3 Ų59.365%0.65229%0.289SS*.EExtended strand (participates in β ladder)trans-117.5125.6167.8-55.1-170.6178.6-153.60108.7I142 E143I142-K148 CarbonylContact O-C 3.49Å; I142-K148 WeakPolarHBondContact O-CA 3.23Å; E143-K148 HydrophobicContact CB-CG 4.38Å; E143-K148 HydrophobicContact CG-CD 4.15Å; E143-K148 HydrophobicContact CG-CG 3.95Å; E143-K148 VanDerWaalsContact OE1-CD 3.27Å; E143-K148 WeakPolarHBondContact OE1-CD 3.15Å; E143-K148 WeakPolarHBondContact OE1-CE 3.4Å; E143-K148 IonicContact OE1-NZ 2.77Å; E143-K148 PolarHBondContact OE1-NZ 3.19Å; E143-K148 IonicContact OE2-NZ 2.68Å
149T97.4Very high96.6Very high45 Ų4567.5 Ų67.528%0.27633%0.327SS..EExtended strand (participates in β ladder)trans-130.8169.3179-163.70000111.4L65 E141 I142L65-T149 HydrophobicContact CB-CG2 3.53Å; L65-T149 HydrophobicContact CD1-CG2 4.11Å; L65-T149 HydrophobicContact CG-CG2 4.43Å; E141-T149 WeakPolarHBondContact CA-O 3.39Å; I142-T149 HydrophobicContact CB-CG2 3.93Å; I142-T149 HydrophobicContact CD1-CG2 4.28Å; I142-T149 HydrophobicContact CG1-CG2 4.45Å; I142-T149 PolarHBondContact N-O 3.46Å; I142-T149 PolarHBondContact O-N 3.2Å
150R97.7Very high96.2Very high141 Ų14172 Ų7253%0.53235%0.349SS..EExtended strand (participates in β ladder)trans-116.3136.7171.6-72.3-179.7174.1171.2-1.2110.5I140 E141 F152I140-R150 VanDerWaalsContact O-CA 3.28Å; I140-R150 WeakPolarHBondContact O-CA 3.41Å; E141-R150 HydrophobicContact CG-CG 4.21Å; E141-R150 IonicContact OE1-CZ 2.7Å; E141-R150 IonicContact OE1-NE 3.99Å; E141-R150 PolarHBondContact OE1-NE 3.02Å; E141-R150 VanDerWaalsContact OE1-NE 3.1Å; E141-R150 IonicContact OE1-NH2 2.95Å; E141-R150 PolarHBondContact OE1-NH2 2.82Å; R150-F152 HydrophobicContact CB-CE2 4.34Å; R150-F152 HydrophobicContact CB-CZ 4.23Å
151A97.6Very high95.8Very high9 Ų977.5 Ų77.57%0.07439%0.385CS..EExtended strand (participates in β ladder)trans-113.3134.9167.100000109.6T67 A139 I140 I142 F153T67-A151 HydrophobicContact CG2-CB 3.69Å; A139-A151 WeakPolarHBondContact CA-O 3.41Å; I140-A151 HydrophobicContact CD1-CB 4.29Å; I140-A151 HydrophobicContact CG1-CB 3.9Å; I140-A151 PolarHBondContact N-O 2.91Å; I140-A151 PolarHBondContact O-N 3.05Å; I142-A151 HydrophobicContact CD1-CB 3.85Å; A151-F153 HydrophobicContact CB-CE2 3.98Å
152F97.8Very high95.3Very high119 Ų11978 Ų7852%0.52239%0.388SS..EExtended strand (participates in β ladder)trans-103.4141.2-174.9-61.9-82.3000111.7N137 A138 A139 R150N137-F152 HydrophobicContact CB-CD1 4.41Å; A138-F152 CarbonylContact O-C 3.58Å; A138-F152 WeakPolarHBondContact O-CA 3.42Å; A139-F152 HydrophobicContact CB-CD1 3.94Å; A139-F152 HydrophobicContact CB-CE1 3.87Å; R150-F152 HydrophobicContact CB-CE2 4.34Å; R150-F152 HydrophobicContact CB-CZ 4.23Å
153F98Very high94.8Very high6 Ų683.4 Ų83.43%0.02643%0.427CS..EExtended strand (participates in β ladder)trans-132.7146.1-178.5-67.6-97.7000109.9T71 V88 L116 V125 A136 A138 I140 A151T71-F153 CarbonylContact O-C 3.52Å; T71-F153 VanDerWaalsContact O-CA 3.23Å; T71-F153 WeakPolarHBondContact O-CA 3.49Å; V88-F153 HydrophobicContact CG2-CE1 4.22Å; V88-F153 HydrophobicContact CG2-CZ 4.02Å; L116-F153 HydrophobicContact CD2-CB 3.65Å; L116-F153 HydrophobicContact CD2-CD2 3.92Å; L116-F153 HydrophobicContact CD2-CG 3.78Å; V125-F153 HydrophobicContact CG1-CE1 4.19Å; V125-F153 HydrophobicContact CG1-CE2 4.18Å; V125-F153 HydrophobicContact CG1-CZ 3.92Å; V125-F153 HydrophobicContact CG2-CD1 4.01Å; V125-F153 HydrophobicContact CG2-CE1 3.73Å; V125-F153 HydrophobicContact CG2-CZ 4.3Å; A136-F153 CarbonylContact C-O 3.51Å; A138-F153 PolarHBondContact N-O 3.04Å; A138-F153 PolarHBondContact O-N 2.91Å; I140-F153 HydrophobicContact CD1-CE2 3.57Å; I140-F153 HydrophobicContact CD1-CZ 4.07Å; I140-F153 HydrophobicContact CG1-CD2 4.45Å; I140-F153 HydrophobicContact CG1-CE2 3.78Å; I140-F153 HydrophobicContact CG2-CD2 4.35Å; I140-F153 HydrophobicContact CG2-CE2 4.28Å; A151-F153 HydrophobicContact CB-CE2 3.98Å
154S98.2Very high94.2Very high34 Ų3488 Ų8824%0.23845%0.452CS..EExtended strand (participates in β ladder)trans-100111.5172.6-57.10000109.2T71 N72 L73 S135 A136T71-S154 PolarHBondContact O-N 2.92Å; N72-S154 WeakPolarHBondContact CA-O 3.22Å; N72-S154 VanDerWaalsContact OD1-CB 3.32Å; N72-S154 WeakPolarHBondContact OD1-CB 3.37Å; L73-S154 PolarHBondContact N-O 2.83Å; S135-S154 CarbonylContact O-C 3.54Å; S135-S154 WeakPolarHBondContact O-CA 3.28Å; A136-S154 PolarHBondContact O-OG 2.93Å
155V98.2Very high93.8Very high6 Ų694.3 Ų94.34%0.03649%0.487CS..EExtended strand (participates in β ladder)trans-106.9117.3179.6-1730000109.6L73 V115 L116 V127 G134 S135 A138L73-V155 CarbonylContact O-C 3.54Å; L73-V155 WeakPolarHBondContact O-CA 3.4Å; V115-V155 HydrophobicContact CG1-CB 4Å; V115-V155 HydrophobicContact CG1-CG1 4.41Å; V115-V155 HydrophobicContact CG1-CG2 4.22Å; L116-V155 HydrophobicContact CB-CG2 4.04Å; L116-V155 HydrophobicContact CD1-CG2 3.88Å; L116-V155 HydrophobicContact CD2-CG2 4.22Å; L116-V155 HydrophobicContact CG-CG2 4.27Å; V127-V155 HydrophobicContact CG1-CG1 4.24Å; G134-V155 CarbonylContact C-O 3.46Å; G134-V155 WeakPolarHBondContact CA-O 3.29Å; S135-V155 PolarHBondContact N-O 3.12Å; S135-V155 PolarHBondContact O-N 3.38Å; A138-V155 HydrophobicContact CB-CG2 4Å
156W97.8Very high93.6Very high161 Ų16197.2 Ų97.261%0.6149%0.485SS*.EExtended strand (participates in β ladder)trans-90.9136.9176.6-61.384.7000110.2L73 I74 N75L73-W156 PolarHBondContact O-N 3.5Å; I74-W156 HydrophobicContact CB-CB 4.37Å; I74-W156 HydrophobicContact CG1-CB 4.07Å; I74-W156 HydrophobicContact CG1-CG 4.34Å; I74-W156 HydrophobicContact CG2-CB 4.24Å; N75-W156 PolarHBondContact N-O 3.36Å
157Y96.1Very high93.5Very high76 Ų7693.2 Ų93.230%0.29848%0.484SS..  trans-124.9124.3-178.4-173.8-88.7000109.9E131E131-Y157 VanDerWaalsContact O-CE2 3.32Å; E131-Y157 WeakPolarHBondContact O-CE2 3.33Å
158P92.9Very high93.1Very high23 Ų2398.7 Ų98.715%0.14951%0.506CS..  trans-64.2135.8176.4-20.732.5000111.9N75 I78N75-P158 VanDerWaalsContact O-CD 3.26Å; N75-P158 WeakPolarHBondContact O-CD 3.35Å; N75-P158 WeakPolarHBondContact O-CG 3.45Å; I78-P158 HydrophobicContact CG2-CB 4.36Å; I78-P158 HydrophobicContact CG2-CG 3.87Å
159E90.9Very high92.6Very high171 Ų17196.4 Ų96.480%0.79951%0.507SS*.  trans-72.5133.2171.8-169.9175.217900110.4L162E159-L162 WeakPolarHBondContact O-CD2 3.26Å
160M89.5Confident92.3Very high101 Ų101101 Ų10150%0.49853%0.529SS..SBendtrans-118144.7-177.5-69.4-66.1-72.200110.7L162M160-L162 HydrophobicContact SD-CD1 3.72Å; M160-L162 HydrophobicContact SD-CG 3.68Å
161P90.6Very high91.7Very high116 Ų116102.9 Ų102.975%0.75355%0.549SS*.SBendcis-78.3146.80.332.6-35.3000112.8
162L87Confident91.1Very high73 Ų73109.1 Ų109.138%0.38258%0.576SS.*PPolyproline II helixtrans-76.1131.7176.3-68.6160.4000111.2M79 E159 M160M79-L162 HydrophobicContact CE-CD1 3.38Å; M79-L162 HydrophobicContact CG-CD1 3.47Å; M79-L162 VanDerWaalsContact CG-CD1 3.47Å; M79-L162 HydrophobicContact SD-CD1 3.26Å; M79-L162 WeakPolarHBondContact SD-CD1 3.46Å; E159-L162 WeakPolarHBondContact O-CD2 3.26Å; M160-L162 HydrophobicContact SD-CD1 3.72Å; M160-L162 HydrophobicContact SD-CG 3.68Å
163S88.2Confident90.5Very high115 Ų115108.4 Ų108.480%0.80459%0.592SS**PPolyproline II helixtrans-93.3117.6172.7-65.70000110.2
164L85.8Confident89.9Confident150 Ų150113.6 Ų113.679%0.78562%0.619SS**PPolyproline II helixtrans-99.7126.4175.8-61.5176.6000109.7
165L89Confident89.4Confident175 Ų175123.6 Ų123.692%0.91665%0.652SS**PPolyproline II helixtrans-103.4119173.6-67.6172.9000109.2
166L89.6Confident88.9Confident133 Ų133126.7 Ų126.770%0.69669%0.685SS**PPolyproline II helixtrans-93.3128.6176.3-67.2169.4000109.7K168 P169L166-K168 PolarHBondContact O-N 3.25Å; L166-P169 HydrophobicContact CB-CB 4.49Å
167A88.6Confident88.2Confident107 Ų107127.4 Ų127.488%0.88469%0.687SS**SBendtrans-62.4-31175.400000112.7
168K87.6Confident87.6Confident161 Ų161131.6 Ų131.670%0.771%0.71SS**  trans-132.391.9174.9-68.9-177.6-179.6178.50109.2L166 L170L166-K168 PolarHBondContact O-N 3.25Å; K168-L170 PolarHBondContact O-N 3.23Å
169P86.6Confident87Confident102 Ų102135.8 Ų135.866%0.66274%0.735SS**  trans-77.8-1118031.6-35.3000113L166 L171L166-P169 HydrophobicContact CB-CB 4.49Å; P169-L171 PolarHBondContact O-N 3.42Å
170L89.9Confident86.4Confident142 Ų142131.6 Ų131.674%0.74372%0.723SS**SBendtrans-75.2118.5177.4-62.4177.1000109.7K168 Q172K168-L170 PolarHBondContact O-N 3.23Å; L170-Q172 PolarHBondContact O-N 3.46Å
171L85.2Confident85.6Confident180 Ų180134.7 Ų134.794%0.94274%0.736SS**  trans-62.6123.9171.8-14195.3000108.7P169P169-L171 PolarHBondContact O-N 3.42Å
172Q86.5Confident84.5Confident140 Ų140136.5 Ų136.565%0.65473%0.732SS**  trans-110.3129.6176.4-64.5-169.5-51.700109.3L170 I174L170-Q172 PolarHBondContact O-N 3.46Å; Q172-I174 PolarHBondContact O-N 3.43Å
173A85.1Confident83Confident104 Ų104138.3 Ų138.386%0.8674%0.742SS**  trans-64.5121.4174.100000109.6R175A173-R175 PolarHBondContact O-N 2.85Å
174I84.7Confident81.4Confident115 Ų115141.3 Ų141.359%0.5974%0.743SS**  trans-77.5113.2172.9-56.2173000107.2Q172 G176 W177Q172-I174 PolarHBondContact O-N 3.43Å; I174-G176 PolarHBondContact O-N 3.09Å; I174-W177 HydrophobicContact CB-CB 4.11Å; I174-W177 HydrophobicContact CB-CE3 4.34Å; I174-W177 HydrophobicContact CD1-CD2 4.44Å; I174-W177 HydrophobicContact CD1-CE3 3.92Å; I174-W177 HydrophobicContact CD1-CZ3 4.19Å; I174-W177 HydrophobicContact CG2-CB 4.23Å; I174-W177 HydrophobicContact CG2-CE3 3.91Å; I174-W177 WeakPolarHBondContact O-CB 3.39Å; I174-W177 PolarHBondContact O-N 3.22Å
175R87Confident79.8Confident244 Ų244139.7 Ų139.792%0.92174%0.739SS**THydrogen-bonded Turntrans-64.6136178-71.5-170.9-174.6-165.22.4110.1A173 W177A173-R175 PolarHBondContact O-N 2.85Å; R175-W177 PolarHBondContact O-N 2.66Å
176G87.6Confident77.9Confident71 Ų71138.2 Ų138.273%0.73273%0.732SS**THydrogen-bonded Turntrans73.211.6177.700000114.5I174 Q178I174-G176 PolarHBondContact O-N 3.09Å; G176-Q178 PolarHBondContact O-N 3.07Å; G176-Q178 VanDerWaalsContact O-N 3.1Å
177W84.4Confident76.1Confident176 Ų176142.1 Ų142.167%0.66774%0.744SS**  trans-63.8112.4175-170.2-94.2000110.2I174 R175 V179I174-W177 HydrophobicContact CB-CB 4.11Å; I174-W177 HydrophobicContact CB-CE3 4.34Å; I174-W177 HydrophobicContact CD1-CD2 4.44Å; I174-W177 HydrophobicContact CD1-CE3 3.92Å; I174-W177 HydrophobicContact CD1-CZ3 4.19Å; I174-W177 HydrophobicContact CG2-CB 4.23Å; I174-W177 HydrophobicContact CG2-CE3 3.91Å; I174-W177 WeakPolarHBondContact O-CB 3.39Å; I174-W177 PolarHBondContact O-N 3.22Å; R175-W177 PolarHBondContact O-N 2.66Å; W177-V179 PolarHBondContact O-N 3.18Å
178Q83.2Confident74Confident165 Ų165147.5 Ų147.577%0.77174%0.741SS**  trans-70.6112173.1-62.3-67.7-41.500107.6G176 P180G176-Q178 PolarHBondContact O-N 3.07Å; G176-Q178 VanDerWaalsContact O-N 3.1Å; Q178-P180 WeakPolarHBondContact O-CD 3.34Å
179V80.6Confident71.7Confident111 Ų111150.4 Ų150.467%0.67375%0.749SS**  trans-74.7122.1168.3-179.60000106.1W177 E181W177-V179 PolarHBondContact O-N 3.18Å; V179-E181 PolarHBondContact O-N 2.81Å
180P77.4Confident69.8Low83 Ų83151.4 Ų151.454%0.53975%0.753SS.*  trans-58.4114.9171.1-18.429.9000108.3Q178 F182Q178-P180 WeakPolarHBondContact O-CD 3.34Å; P180-F182 HydrophobicContact CB-CE2 4.1Å; P180-F182 HydrophobicContact CB-CZ 4.28Å; P180-F182 WeakPolarHBondContact O-CD2 3.46Å; P180-F182 PolarHBondContact O-N 2.93Å
181E74.3Confident67.4Low166 Ų166155.5 Ų155.578%0.77676%0.759SS**  trans-68.8100.9166-69.8177.317100106V179 D183V179-E181 PolarHBondContact O-N 2.81Å; E181-D183 HydrophobicContact CB-CB 4.47Å; E181-D183 PolarHBondContact O-N 2.79Å
182F66.9Low65.6Low153 Ų153154.2 Ų154.267%0.67175%0.749SS**  trans-73.656.7165-64.1-82.6000108.6P180 H184 M192P180-F182 HydrophobicContact CB-CE2 4.1Å; P180-F182 HydrophobicContact CB-CZ 4.28Å; P180-F182 WeakPolarHBondContact O-CD2 3.46Å; P180-F182 PolarHBondContact O-N 2.93Å; F182-H184 PolarHBondContact O-N 3.23Å; F182-M192 HydrophobicContact CE1-CE 4.38Å; F182-M192 HydrophobicContact CE1-SD 4.46Å
183D55.9Low63.2Low112 Ų112155.7 Ų155.760%0.59976%0.756SS**  trans-69.2102.7174.8-109.19000107.2E181 V185E181-D183 HydrophobicContact CB-CB 4.47Å; E181-D183 PolarHBondContact O-N 2.79Å; D183-V185 VanDerWaalsContact C-N 3.28Å; D183-V185 PolarHBondContact O-N 3.08Å
184H54.5Low61.4Low178 Ų178156.4 Ų156.482%0.82475%0.752SS**  trans46.838.3159.3-62.1-65000117.1F182 D186F182-H184 PolarHBondContact O-N 3.23Å; H184-D186 PolarHBondContact O-N 2.96Å
185V50.9Low59.1Low116 Ų116157 Ų15770%0.70376%0.761SS**  trans-69.8109.6164.3-174.90000106.8D183 K187D183-V185 VanDerWaalsContact C-N 3.28Å; D183-V185 PolarHBondContact O-N 3.08Å; V185-K187 PolarHBondContact O-N 2.8Å
186D49.9Very low56.7Low144 Ų144151 Ų15177%0.7776%0.755SS**  trans-32.8135.9177.9-94.4-46.2000112.1H184 R188H184-D186 PolarHBondContact O-N 2.96Å; D186-R188 PolarHBondContact O-N 2.78Å
187K51.2Low54.6Low215 Ų215156.3 Ų156.394%0.93576%0.761SS**SBendtrans-61.325.8-174.6-70.6179.7174.1176.10115.4V185V185-K187 PolarHBondContact O-N 2.8Å
188R45.4Very low52.6Low219 Ų219156.8 Ų156.883%0.82677%0.77SS**SBendtrans-12997.2177.2-59.5-174.1-162.8164.96.6109.3D186D186-R188 PolarHBondContact O-N 2.78Å
189Y39.7Very low50.8Low223 Ų223158.2 Ų158.288%0.87578%0.777SS**  trans65.498.1152.2-93.6-100.9000117.8
190V46.7Very low48.8Very low123 Ų123163.1 Ų163.175%0.74579%0.79SS**  trans-140.2117.8136.1-173.50000109.7M192V190-M192 PolarHBondContact O-N 2.73Å
191R38.8Very low47.4Very low228 Ų228165 Ų16586%0.8681%0.805SS**  trans-77.499.8174.7-168.2-176.9-152.6170.85.5107.8Q193R191-Q193 PolarHBondContact O-N 3.02Å
192M46.5Very low46Very low152 Ų152165.9 Ų165.975%0.74983%0.829SS**PPolyproline II helixtrans-72.5118.3173.9-83.8179.2159.300110.1F182 V190F182-M192 HydrophobicContact CE1-CE 4.38Å; F182-M192 HydrophobicContact CE1-SD 4.46Å; V190-M192 PolarHBondContact O-N 2.73Å
193Q37.4Very low44.9Very low171 Ų171166.5 Ų166.580%0.79984%0.837SS**PPolyproline II helixtrans-89.6124.8164.9-77.4178.5-33.900108.5R191 T195R191-Q193 PolarHBondContact O-N 3.02Å; Q193-T195 PolarHBondContact O-N 3.46Å
194P46.5Very low44.3Very low119 Ų119169.4 Ų169.477%0.77385%0.849SS**PPolyproline II helixtrans-78.6116.817728.6-29.3000110.2
195T36.8Very low43.8Very low127 Ų127168.9 Ų168.978%0.77985%0.851SS**  trans-89.2103.716548.50000108.4Q193 E197Q193-T195 PolarHBondContact O-N 3.46Å; T195-E197 PolarHBondContact O-N 3.13Å
196C36.4Very low43.3Very low118 Ų118172 Ų17280%0.79786%0.859SS**  trans-77.4104.7168.8-71.20000108.9
197E42.5Very low42.9Very low183 Ų183173.8 Ų173.886%0.85587%0.865SS**  trans-86123.6167.3-72.5-173.6153.700109.8T195 E199T195-E197 PolarHBondContact O-N 3.13Å; E197-E199 PolarHBondContact O-N 2.73Å
198H43.9Very low42.4Very low186 Ų186171 Ų17186%0.86186%0.86SS**  trans-78.4109.8173.1-97.5-85.4000109.4K200H198-K200 PolarHBondContact O-N 2.92Å
199E44.5Very low42.2Very low196 Ų196167.6 Ų167.692%0.91686%0.863SS**  trans-72.5113.7163.6-88.3176.3139.900110E197E197-E199 PolarHBondContact O-N 2.73Å
200K38.2Very low42.4Very low214 Ų214163.3 Ų163.393%0.9386%0.862SS**  trans-73.1117.8160.2-82.9180177.7178.30107.8H198H198-K200 PolarHBondContact O-N 2.92Å
201S47.9Very low42Very low122 Ų122166.7 Ų166.785%0.85387%0.872SS**  trans-101.3134.2159.3-178.50000109.3
202S44.8Very low42.3Very low184 Ų184161.1 Ų161.1100%1.28787%0.873SS**  trans-52.50-179.5-172.10000115.5

Retrieved 202 of 202 residues in 879.9 ms (Link to these results)

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