A0A3Q0KS58_SCHMA Loading...

UPAR/Ly6 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS58, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 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
1M54.6Low71.3Confident212 Ų212110.3 Ų110.3100%1.04456%0.558SS**  065.60-67.5159.471.800110.9T4M1-T4 PolarHBondContact O-OG1 3.26Å
2K64.7Low71.4Confident182 Ų182109.7 Ų109.779%0.79156%0.556SS**  trans-90.9-7.2-172.2-91.8-176.4176179.50115.3Q6K2-Q6 PolarHBondContact O-NE2 3.1Å; K2-Q6 PolarHBondContact O-OE1 2.92Å
3Y69Low71.2Confident135 Ų135105.6 Ų105.653%0.52954%0.536SS..SBendtrans-117.9-2.9-171.9-58.9-65.6000115.1Q6 I7 K121Y3-Q6 PolarHBondContact O-N 3.32Å; Y3-Q6 PolarHBondContact O-OE1 3.29Å; Y3-Q6 VanDerWaalsContact O-OE1 3.06Å; Y3-I7 WeakPolarHBondContact O-CG1 3.49Å; Y3-I7 PolarHBondContact O-N 3.43Å; Y3-I7 VanDerWaalsContact O-N 3.15Å; Y3-K121 PolarHBondContact OH-NZ 3.06Å
4T70.8Confident70.9Confident72 Ų72104.6 Ų104.644%0.44253%0.531SS..Hα-helixtrans-57.3-44.3-178-120000113.9M1 Q6 I7 L8M1-T4 PolarHBondContact O-OG1 3.26Å; T4-Q6 PolarHBondContact O-N 3.33Å; T4-I7 PolarHBondContact O-N 2.91Å; T4-L8 PolarHBondContact O-N 2.91Å; T4-L8 VanDerWaalsContact O-N 3.08Å
5P72.6Confident70.5Confident86 Ų86103.4 Ų103.456%0.55853%0.531SS*.Hα-helixtrans-70.3-31.4-179.425.8-31.6000113L8 L9P5-L8 PolarHBondContact O-N 3.48Å; P5-L9 WeakPolarHBondContact O-CB 3.32Å; P5-L9 PolarHBondContact O-N 3.43Å
6Q73Confident70Confident55 Ų55102.5 Ų102.526%0.25753%0.532SS..Hα-helixtrans-68.2-42.8176.8-61.587.6-21.700111.1K2 Y3 T4 L8 L9 V10K2-Q6 PolarHBondContact O-NE2 3.1Å; K2-Q6 PolarHBondContact O-OE1 2.92Å; Y3-Q6 PolarHBondContact O-N 3.32Å; Y3-Q6 PolarHBondContact O-OE1 3.29Å; Y3-Q6 VanDerWaalsContact O-OE1 3.06Å; T4-Q6 PolarHBondContact O-N 3.33Å; Q6-L8 VanDerWaalsContact C-N 3.33Å; Q6-L8 PolarHBondContact O-N 2.93Å; Q6-L9 PolarHBondContact O-N 3.33Å; Q6-V10 WeakPolarHBondContact O-CG2 3.5Å; Q6-V10 PolarHBondContact O-N 2.68Å
7I75.3Confident69.2Low102 Ų102101.2 Ų101.252%0.52353%0.526SS..Hα-helixtrans-61.1-45.3175.3-65.9166.8000109.8Y3 T4 L9 V10 I11Y3-I7 WeakPolarHBondContact O-CG1 3.49Å; Y3-I7 PolarHBondContact O-N 3.43Å; Y3-I7 VanDerWaalsContact O-N 3.15Å; T4-I7 PolarHBondContact O-N 2.91Å; I7-L9 PolarHBondContact O-N 3.28Å; I7-V10 PolarHBondContact O-N 3.47Å; I7-I11 HydrophobicContact CG2-CD1 3.87Å; I7-I11 WeakPolarHBondContact O-CG1 3.41Å; I7-I11 PolarHBondContact O-N 3.31Å
8L78.2Confident68.4Low115 Ų11599.6 Ų99.660%0.60252%0.518SS*.Hα-helixtrans-61.8-43179.1-143.294.1000111.9T4 P5 Q6 I11 L12T4-L8 PolarHBondContact O-N 2.91Å; T4-L8 VanDerWaalsContact O-N 3.08Å; P5-L8 PolarHBondContact O-N 3.48Å; Q6-L8 VanDerWaalsContact C-N 3.33Å; Q6-L8 PolarHBondContact O-N 2.93Å; L8-I11 PolarHBondContact O-N 2.86Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 PolarHBondContact O-N 2.92Å
9L76.4Confident67.5Low79 Ų7999.9 Ų99.941%0.41452%0.52SS..Hα-helixtrans-63.1-42.4178.1-17766.7000111.9P5 Q6 I7 L12 L13 L113P5-L9 WeakPolarHBondContact O-CB 3.32Å; P5-L9 PolarHBondContact O-N 3.43Å; Q6-L9 PolarHBondContact O-N 3.33Å; I7-L9 PolarHBondContact O-N 3.28Å; L9-L12 PolarHBondContact O-N 3.5Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 3.03Å; L9-L113 HydrophobicContact CD2-CD1 4.39Å
10V74.7Confident66.7Low82 Ų82102.2 Ų102.250%0.49752%0.522SS..Hα-helixtrans-63.3-44.5176.4172.10000110.6Q6 I7 L12 L13 I14Q6-V10 WeakPolarHBondContact O-CG2 3.5Å; Q6-V10 PolarHBondContact O-N 2.68Å; I7-V10 PolarHBondContact O-N 3.47Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.28Å; V10-L13 PolarHBondContact O-N 2.96Å; V10-I14 HydrophobicContact CG1-CD1 3.82Å; V10-I14 HydrophobicContact CG1-CG1 4.49Å; V10-I14 WeakPolarHBondContact O-CD1 3.17Å; V10-I14 VanDerWaalsContact O-CG1 3.22Å; V10-I14 WeakPolarHBondContact O-CG1 3.32Å; V10-I14 PolarHBondContact O-N 3.34Å
11I75.2Confident66.2Low93 Ų9399.6 Ų99.648%0.47751%0.514SS..Hα-helixtrans-61.1-44.7175.9-66169.9000110.3I7 L8 L13 I14 V15I7-I11 HydrophobicContact CG2-CD1 3.87Å; I7-I11 WeakPolarHBondContact O-CG1 3.41Å; I7-I11 PolarHBondContact O-N 3.31Å; L8-I11 PolarHBondContact O-N 2.86Å; I11-L13 PolarHBondContact O-N 3.43Å; I11-I14 WeakPolarHBondContact O-CB 3.36Å; I11-I14 PolarHBondContact O-N 3.42Å; I11-V15 HydrophobicContact CG2-CG2 4.27Å; I11-V15 VanDerWaalsContact O-CG2 3.29Å; I11-V15 WeakPolarHBondContact O-CG2 3.17Å; I11-V15 PolarHBondContact O-N 3.43Å
12L72.3Confident66.6Low103 Ų10396.8 Ų96.854%0.53951%0.508SS..Hα-helixtrans-65-40.5-179.3-149.6121.8000111.7L8 L9 V10 V15 V16L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 PolarHBondContact O-N 2.92Å; L9-L12 PolarHBondContact O-N 3.5Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.28Å; L12-V15 PolarHBondContact O-N 3.26Å; L12-V16 HydrophobicContact CD2-CG2 4.34Å; L12-V16 WeakPolarHBondContact O-CB 3.38Å; L12-V16 VanDerWaalsContact O-CG2 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.27Å; L12-V16 PolarHBondContact O-N 3.26Å
13L68.7Low67.1Low57 Ų5791.6 Ų91.630%0.29850%0.495SS..Hα-helixtrans-63.5-40.5173.2-74.1168.2000111.6L9 V10 I11 N17L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 3.03Å; V10-L13 PolarHBondContact O-N 2.96Å; I11-L13 PolarHBondContact O-N 3.43Å; L13-N17 WeakPolarHBondContact O-CB 3.2Å; L13-N17 PolarHBondContact O-N 2.9Å; L13-N17 VanDerWaalsContact O-N 3.13Å; L13-N17 PolarHBondContact O-ND2 3.06Å
14I67.6Low68Low91 Ų9185.2 Ų85.247%0.46747%0.47SS..Hα-helixtrans-62-47.9174-69.7164.3000109.8V10 I11 N17 L18V10-I14 HydrophobicContact CG1-CD1 3.82Å; V10-I14 HydrophobicContact CG1-CG1 4.49Å; V10-I14 WeakPolarHBondContact O-CD1 3.17Å; V10-I14 VanDerWaalsContact O-CG1 3.22Å; V10-I14 WeakPolarHBondContact O-CG1 3.32Å; V10-I14 PolarHBondContact O-N 3.34Å; I11-I14 WeakPolarHBondContact O-CB 3.36Å; I11-I14 PolarHBondContact O-N 3.42Å; I14-N17 PolarHBondContact O-N 2.92Å; I14-L18 HydrophobicContact CG2-CD1 3.57Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CB 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.27Å; I14-L18 PolarHBondContact O-N 3.29Å
15V65Low69Low87 Ų8782.9 Ų82.953%0.52746%0.457SS..Hα-helixtrans-63.6-44.9-178.8172.20000112I11 L12 N17 L18I11-V15 HydrophobicContact CG2-CG2 4.27Å; I11-V15 VanDerWaalsContact O-CG2 3.29Å; I11-V15 WeakPolarHBondContact O-CG2 3.17Å; I11-V15 PolarHBondContact O-N 3.43Å; L12-V15 PolarHBondContact O-N 3.26Å; V15-N17 VanDerWaalsContact C-N 3.25Å; V15-N17 PolarHBondContact O-N 3.26Å; V15-L18 CarbonylContact O-C 3.5Å; V15-L18 VanDerWaalsContact O-C 3.23Å; V15-L18 WeakPolarHBondContact O-CA 3.49Å; V15-L18 PolarHBondContact O-N 3.26Å
16V61.7Low70.1Confident89 Ų8978.8 Ų78.854%0.53943%0.43SS..Hα-helixtrans-65.5-29.5178.1172.80000111.9L12 L18L12-V16 HydrophobicContact CD2-CG2 4.34Å; L12-V16 WeakPolarHBondContact O-CB 3.38Å; L12-V16 VanDerWaalsContact O-CG2 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.27Å; L12-V16 PolarHBondContact O-N 3.26Å; V16-L18 VanDerWaalsContact C-N 3.29Å
17N56.2Low71.2Confident80 Ų8078.3 Ų78.343%0.42843%0.426SS..Hα-helixtrans-79.5-14.9172.1-78.8-74000113L13 I14 V15 L106L13-N17 WeakPolarHBondContact O-CB 3.2Å; L13-N17 PolarHBondContact O-N 2.9Å; L13-N17 VanDerWaalsContact O-N 3.13Å; L13-N17 PolarHBondContact O-ND2 3.06Å; I14-N17 PolarHBondContact O-N 2.92Å; V15-N17 VanDerWaalsContact C-N 3.25Å; V15-N17 PolarHBondContact O-N 3.26Å; N17-L106 VanDerWaalsContact OD1-CD1 3.25Å; N17-L106 WeakPolarHBondContact OD1-CD1 3.08Å
18L55.6Low72.2Confident73 Ų7374.9 Ų74.938%0.38241%0.41SS..THydrogen-bonded Turntrans-105.544.9178.3-67.7176.5000110.6I14 V15 V16 Y20I14-L18 HydrophobicContact CG2-CD1 3.57Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CB 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.27Å; I14-L18 PolarHBondContact O-N 3.29Å; V15-L18 CarbonylContact O-C 3.5Å; V15-L18 VanDerWaalsContact O-C 3.23Å; V15-L18 WeakPolarHBondContact O-CA 3.49Å; V15-L18 PolarHBondContact O-N 3.26Å; V16-L18 VanDerWaalsContact C-N 3.29Å; L18-Y20 HydrophobicContact CB-CD2 3.92Å; L18-Y20 HydrophobicContact CB-CE2 3.69Å; L18-Y20 HydrophobicContact CD1-CE2 4.23Å; L18-Y20 HydrophobicContact CD2-CE2 3.64Å; L18-Y20 HydrophobicContact CG-CE2 4.04Å; L18-Y20 VanDerWaalsContact O-CD2 3.23Å; L18-Y20 WeakPolarHBondContact O-CD2 3.4Å; L18-Y20 PolarHBondContact O-N 3.47Å
19D51.3Low73.1Confident105 Ų10569.8 Ų69.856%0.56139%0.385SS*.  trans-65.180165.3-90.8-26.5000109S21D19-S21 PolarHBondContact O-N 2.87Å; D19-S21 VanDerWaalsContact O-N 3.11Å
20Y52.1Low73.9Confident145 Ų14571.2 Ų71.257%0.56939%0.389SS*.  trans-73.297.2169.6-74.2-79.7000107.6L18 T22 N89L18-Y20 HydrophobicContact CB-CD2 3.92Å; L18-Y20 HydrophobicContact CB-CE2 3.69Å; L18-Y20 HydrophobicContact CD1-CE2 4.23Å; L18-Y20 HydrophobicContact CD2-CE2 3.64Å; L18-Y20 HydrophobicContact CG-CE2 4.04Å; L18-Y20 VanDerWaalsContact O-CD2 3.23Å; L18-Y20 WeakPolarHBondContact O-CD2 3.4Å; L18-Y20 PolarHBondContact O-N 3.47Å; Y20-T22 PolarHBondContact O-N 2.88Å; Y20-N89 HydrophobicContact CD1-CB 4.5Å; Y20-N89 WeakPolarHBondContact CD1-ND2 3.22Å; Y20-N89 WeakPolarHBondContact CE1-ND2 3.31Å
21S55.6Low74.8Confident49 Ų4970.5 Ų70.534%0.34339%0.385SS..  trans-68.9120.6164.2-65.50000108D19 S23D19-S21 PolarHBondContact O-N 2.87Å; D19-S21 VanDerWaalsContact O-N 3.11Å; S21-S23 PolarHBondContact O-N 2.91Å
22T62.6Low75.6Confident152 Ų15266 Ų6693%0.93336%0.362SS*.SBendtrans-65.2-16.9-178.849.50000113.1Y20Y20-T22 PolarHBondContact O-N 2.88Å
23S75.1Confident76.5Confident73 Ų7362.3 Ų62.351%0.5134%0.344SS..SBendtrans-151.6112.5172.1172.40000106.7S21 G48S21-S23 PolarHBondContact O-N 2.91Å; S23-G48 VanDerWaalsContact OG-CA 3.31Å; S23-G48 WeakPolarHBondContact OG-CA 3.44Å; S23-G48 PolarHBondContact OG-N 2.88Å
24L87.7Confident77.2Confident1 Ų163.4 Ų63.41%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-113.9158.3-177.166.4100.3000112C26 G48 C49 A50 C52 N89 D91L24-C26 WeakPolarHBondContact CD1-SG 3.5Å; L24-G48 PolarHBondContact O-N 3.03Å; L24-C49 HydrophobicContact CD1-CB 3.81Å; L24-C49 HydrophobicContact CG-CB 3.98Å; L24-C49 VanDerWaalsContact CG-O 3.31Å; L24-C49 WeakPolarHBondContact CG-O 3.38Å; L24-C49 PolarHBondContact N-O 3.32Å; L24-C49 VanDerWaalsContact N-O 3.15Å; L24-C49 VanDerWaalsContact O-CB 3.3Å; L24-C49 WeakPolarHBondContact O-CB 3.35Å; L24-C49 PolarHBondContact O-N 3.32Å; L24-A50 VanDerWaalsContact CD2-O 3.29Å; L24-A50 WeakPolarHBondContact CD2-O 3.39Å; L24-C52 HydrophobicContact CD1-CB 4.3Å; L24-C52 WeakPolarHBondContact CD1-SG 2.94Å; L24-N89 HydrophobicContact CD2-CB 4.29Å; L24-D91 VanDerWaalsContact CA-OD1 3.31Å; L24-D91 WeakPolarHBondContact CA-OD1 3.49Å
25S92.6Very high78.1Confident24 Ų2466.7 Ų66.717%0.16838%0.378CS..EExtended strand (participates in β ladder)trans-102.4133.1177.6-62.70000110.8Q46 D91 Y92S25-Q46 CarbonylContact C-O 3.47Å; S25-Q46 VanDerWaalsContact CA-O 3.31Å; S25-Q46 WeakPolarHBondContact CA-O 3.38Å; S25-D91 PolarHBondContact N-OD1 2.73Å; S25-Y92 PolarHBondContact O-N 3.26Å
26C95Very high79.2Confident0 Ų064 Ų640%036%0.359CS..EExtended strand (participates in β ladder)trans-122.2152.2-177.8-62.20000112.3L24 N45 Q46 C49 C52L24-C26 WeakPolarHBondContact CD1-SG 3.5Å; C26-N45 CarbonylContact O-C 3.6Å; C26-N45 VanDerWaalsContact O-CA 3.26Å; C26-N45 WeakPolarHBondContact O-CA 3.19Å; C26-Q46 PolarHBondContact N-O 2.97Å; C26-Q46 PolarHBondContact O-N 2.97Å; C26-C49 VanDerWaalsContact SG-CB 3.56Å; C26-C52 WeakPolarHBondContact CA-SG 2.95Å; C26-C52 HydrophobicContact CB-CB 3.83Å; C26-C52 WeakPolarHBondContact CB-SG 3.24Å; C26-C52 WeakPolarHBondContact SG-CA 3.32Å; C26-C52 WeakPolarHBondContact SG-CB 3.26Å; C26-C52 PolarHBondContact SG-N 3.37Å; C26-C52 CovalentContact SG-SG 2.04Å; C26-C52 PolarHBondContact SG-SG 2.89Å
27Y96.5Very high80.6Confident44 Ų4463.8 Ų63.817%0.17336%0.355CS..EExtended strand (participates in β ladder)trans-73.1139.8161-66.3-64.8000110.3F36 A38 V43 G44 R65 Y92 N94 K95Y27-F36 AromaticContact CD1-CZ 3.97Å; Y27-F36 HydrophobicContact CD1-CZ 3.97Å; Y27-F36 AromaticContact CD2-CE1 3.94Å; Y27-F36 HydrophobicContact CD2-CE1 3.94Å; Y27-F36 AromaticContact CD2-CZ 3.57Å; Y27-F36 HydrophobicContact CD2-CZ 3.57Å; Y27-F36 HydrophobicContact CE1-CZ 4.39Å; Y27-F36 AromaticContact CE2-CE1 3.97Å; Y27-F36 HydrophobicContact CE2-CE1 3.97Å; Y27-F36 AromaticContact CE2-CZ 4Å; Y27-F36 HydrophobicContact CE2-CZ 4Å; Y27-F36 HydrophobicContact CG-CE1 4.34Å; Y27-F36 HydrophobicContact CG-CE2 4.41Å; Y27-F36 AromaticContact CG-CZ 3.54Å; Y27-F36 HydrophobicContact CG-CZ 3.54Å; Y27-A38 HydrophobicContact CD1-CB 4.49Å; Y27-A38 HydrophobicContact CE1-CB 3.64Å; Y27-A38 HydrophobicContact CE2-CB 4.46Å; Y27-V43 HydrophobicContact CD1-CG1 3.62Å; Y27-V43 HydrophobicContact CE1-CG1 4.43Å; Y27-V43 HydrophobicContact CG-CG1 4.17Å; Y27-G44 WeakPolarHBondContact CA-O 3.45Å; Y27-R65 WeakPolarHBondContact O-CB 3.19Å; Y27-Y92 HydrophobicContact CD1-CD1 4.09Å; Y27-Y92 HydrophobicContact CD2-CD1 4.03Å; Y27-Y92 AromaticContact CE1-CD1 3.85Å; Y27-Y92 HydrophobicContact CE1-CD1 3.85Å; Y27-Y92 HydrophobicContact CE1-CE1 4.32Å; Y27-Y92 AromaticContact CE2-CD1 3.81Å; Y27-Y92 HydrophobicContact CE2-CD1 3.81Å; Y27-Y92 HydrophobicContact CE2-CG 4Å; Y27-Y92 HydrophobicContact CG-CD1 4.17Å; Y27-Y92 AromaticContact CZ-CD1 3.71Å; Y27-N94 WeakPolarHBondContact CB-OD1 3.47Å; Y27-N94 PolarHBondContact N-OD1 2.97Å; Y27-N94 VanDerWaalsContact N-OD1 3.14Å; Y27-N94 PolarHBondContact O-ND2 3.45Å; Y27-K95 HydrophobicContact CD2-CB 3.84Å; Y27-K95 HydrophobicContact CE2-CB 3.62Å
28T96.7Very high82.3Confident30 Ų3061.8 Ų61.818%0.18435%0.35CS..EExtended strand (participates in β ladder)trans-126.7134178.960.10000110.1V43 G44 Q46 R65 C67T28-V43 WeakPolarHBondContact O-CA 3.33Å; T28-G44 PolarHBondContact N-O 3.39Å; T28-G44 PolarHBondContact O-N 3.39Å; T28-Q46 HydrophobicContact CG2-CB 3.62Å; T28-R65 CarbonylContact C-O 3.57Å; T28-R65 WeakPolarHBondContact CA-O 3.23Å; T28-C67 HydrophobicContact CG2-CB 4.46Å
29C96.2Very high84.1Confident9 Ų963.4 Ų63.46%0.06137%0.367CS..BIsolated β-bridgetrans-170.5135174.537.40000110.8C32 Q42 V43 I64 R65C29-C32 HydrophobicContact CB-CB 3.97Å; C29-C32 WeakPolarHBondContact CB-SG 3.35Å; C29-C32 PolarHBondContact O-SG 3.15Å; C29-C32 WeakPolarHBondContact SG-CB 3.25Å; C29-C32 CovalentContact SG-SG 2.01Å; C29-C32 PolarHBondContact SG-SG 3.5Å; C29-Q42 WeakPolarHBondContact CB-O 3.25Å; C29-V43 HydrophobicContact CB-CG2 4.32Å; C29-I64 CarbonylContact O-C 3.52Å; C29-I64 WeakPolarHBondContact O-CA 3.25Å; C29-R65 PolarHBondContact N-O 3.39Å; C29-R65 PolarHBondContact O-N 2.92Å
30E93.9Very high86.1Confident108 Ų10859.2 Ų59.251%0.50535%0.346SS..SBendtrans-78.6-39.1173.7-81.9-60.6144.900112.3R60E30-R60 PolarHBondContact O-NH1 3.43Å; E30-R60 PolarHBondContact O-NH2 3.08Å; E30-R60 IonicContact OE2-NH1 3.54Å
31T92.9Very high88Confident67 Ų6759 Ų5941%0.41136%0.362SS..SBendtrans-122.675.1174.849.90000109.1Q42 R60T31-Q42 PolarHBondContact O-OE1 2.9Å; T31-R60 VanDerWaalsContact CG2-NH2 3.27Å
32C92.6Very high89.8Confident0 Ų061.8 Ų61.80%037%0.37CS..  trans-69143.9-177.8-51.80000111.5C29 T62 P63 R65C29-C32 HydrophobicContact CB-CB 3.97Å; C29-C32 WeakPolarHBondContact CB-SG 3.35Å; C29-C32 PolarHBondContact O-SG 3.15Å; C29-C32 WeakPolarHBondContact SG-CB 3.25Å; C29-C32 CovalentContact SG-SG 2.01Å; C29-C32 PolarHBondContact SG-SG 3.5Å; C32-T62 WeakPolarHBondContact O-CB 3.45Å; C32-T62 WeakPolarHBondContact O-CG2 3.46Å; C32-P63 HydrophobicContact CB-CG 4.18Å; C32-P63 WeakPolarHBondContact CB-O 3.39Å; C32-P63 PolarHBondContact N-O 3.47Å; C32-P63 VanDerWaalsContact N-O 3.12Å; C32-P63 PolarHBondContact SG-O 2.87Å; C32-R65 PolarHBondContact SG-N 3.48Å; C32-R65 VanDerWaalsContact SG-N 3.4Å; C32-R65 PolarHBondContact SG-NH1 3.3Å; C32-R65 VanDerWaalsContact SG-NH1 3.4Å
33P90.2Very high91.4Very high25 Ų2555.4 Ų55.416%0.16233%0.331CS..  trans-60145.4172.728-36.5000111I35 F36 N37 V43P33-I35 CarbonylContact C-O 3.23Å; P33-I35 CarbonylContact O-C 3.54Å; P33-F36 WeakPolarHBondContact O-CA 3.47Å; P33-F36 PolarHBondContact O-N 3.49Å; P33-N37 HydrophobicContact CG-CB 4.39Å; P33-V43 HydrophobicContact CG-CG2 4.15Å
34A83.8Confident92.4Very high79 Ų7953.4 Ų53.465%0.65332%0.322SS*.SBendtrans-127.7105172.400000107.3
35I86.1Confident92.7Very high160 Ų16058.8 Ų58.882%0.82135%0.351SS*.SBendcis-65.8146.87.8-60.4165.8000112.5P33 N37P33-I35 CarbonylContact C-O 3.23Å; P33-I35 CarbonylContact O-C 3.54Å; I35-N37 PolarHBondContact O-N 3.33Å
36F89.8Confident92.9Very high30 Ų3062.3 Ų62.313%0.13236%0.364CS..  trans-65.4131.5180178.7-102.8000111.8Y27 P33 A38 V43 K95 S96Y27-F36 AromaticContact CD1-CZ 3.97Å; Y27-F36 HydrophobicContact CD1-CZ 3.97Å; Y27-F36 AromaticContact CD2-CE1 3.94Å; Y27-F36 HydrophobicContact CD2-CE1 3.94Å; Y27-F36 AromaticContact CD2-CZ 3.57Å; Y27-F36 HydrophobicContact CD2-CZ 3.57Å; Y27-F36 HydrophobicContact CE1-CZ 4.39Å; Y27-F36 AromaticContact CE2-CE1 3.97Å; Y27-F36 HydrophobicContact CE2-CE1 3.97Å; Y27-F36 AromaticContact CE2-CZ 4Å; Y27-F36 HydrophobicContact CE2-CZ 4Å; Y27-F36 HydrophobicContact CG-CE1 4.34Å; Y27-F36 HydrophobicContact CG-CE2 4.41Å; Y27-F36 AromaticContact CG-CZ 3.54Å; Y27-F36 HydrophobicContact CG-CZ 3.54Å; P33-F36 WeakPolarHBondContact O-CA 3.47Å; P33-F36 PolarHBondContact O-N 3.49Å; F36-A38 HydrophobicContact CE1-CB 3.91Å; F36-A38 HydrophobicContact CZ-CB 4.19Å; F36-V43 HydrophobicContact CE2-CG1 3.94Å; F36-V43 HydrophobicContact CE2-CG2 3.88Å; F36-V43 HydrophobicContact CZ-CG1 3.95Å; F36-K95 VanDerWaalsContact CB-O 3.24Å; F36-K95 WeakPolarHBondContact CB-O 3.29Å; F36-K95 HydrophobicContact CD1-CB 3.89Å; F36-K95 WeakPolarHBondContact CD1-O 3.23Å; F36-K95 HydrophobicContact CE1-CB 3.53Å; F36-K95 WeakPolarHBondContact CG-O 3.22Å; F36-K95 HydrophobicContact CZ-CB 4.36Å; F36-S96 WeakPolarHBondContact CB-OG 3.33Å
37N90Very high92.7Very high85 Ų8566.5 Ų66.546%0.45539%0.393SS..  trans-130.8115.4173-177.1-4.5000108.7P33 I35 S39 S40 V43P33-N37 HydrophobicContact CG-CB 4.39Å; I35-N37 PolarHBondContact O-N 3.33Å; N37-S39 PolarHBondContact O-N 3.41Å; N37-S39 WeakPolarHBondContact OD1-CB 3.49Å; N37-S39 PolarHBondContact OD1-N 2.9Å; N37-S40 VanDerWaalsContact O-CB 3.3Å; N37-S40 WeakPolarHBondContact O-CB 3.22Å; N37-S40 PolarHBondContact O-N 3.48Å; N37-S40 VanDerWaalsContact O-N 3.14Å; N37-V43 WeakPolarHBondContact O-CG2 3.29Å
38A92.3Very high92.5Very high39 Ų3966.7 Ų66.732%0.32241%0.409SS..THydrogen-bonded Turntrans-64.7-23.9179.200000113.1Y27 F36 S40Y27-A38 HydrophobicContact CD1-CB 4.49Å; Y27-A38 HydrophobicContact CE1-CB 3.64Å; Y27-A38 HydrophobicContact CE2-CB 4.46Å; F36-A38 HydrophobicContact CE1-CB 3.91Å; F36-A38 HydrophobicContact CZ-CB 4.19Å; A38-S40 VanDerWaalsContact C-N 3.29Å
39S93.3Very high92.2Very high106 Ų10665.4 Ų65.474%0.74140%0.401SS*.THydrogen-bonded Turntrans-861177.5-52.20000113.1N37N37-S39 PolarHBondContact O-N 3.41Å; N37-S39 WeakPolarHBondContact OD1-CB 3.49Å; N37-S39 PolarHBondContact OD1-N 2.9Å
40S93Very high92Very high18 Ų1867.1 Ų67.113%0.12642%0.416CS..SBendtrans-66.2136.7175.9175.70000110.2N37 A38 Q42 V43N37-S40 VanDerWaalsContact O-CB 3.3Å; N37-S40 WeakPolarHBondContact O-CB 3.22Å; N37-S40 PolarHBondContact O-N 3.48Å; N37-S40 VanDerWaalsContact O-N 3.14Å; A38-S40 VanDerWaalsContact C-N 3.29Å; S40-Q42 PolarHBondContact O-N 3.4Å; S40-Q42 PolarHBondContact OG-N 3.5Å; S40-Q42 PolarHBondContact OG-OE1 3.46Å; S40-V43 WeakPolarHBondContact O-CB 3.33Å; S40-V43 PolarHBondContact O-N 3.28Å
41P93.3Very high91.9Very high139 Ų13965.7 Ų65.790%0.90341%0.406SS*.THydrogen-bonded Turntrans-58.2-19.1175.8-24.133.4000114.2V43P41-V43 VanDerWaalsContact C-N 3.28Å
42Q92.4Very high92Very high109 Ų10962.5 Ų62.551%0.50939%0.387SS..THydrogen-bonded Turntrans-78.4-14.3177.6-64.4158.7-17.200112.8C29 T31 S40C29-Q42 WeakPolarHBondContact CB-O 3.25Å; T31-Q42 PolarHBondContact O-OE1 2.9Å; S40-Q42 PolarHBondContact O-N 3.4Å; S40-Q42 PolarHBondContact OG-N 3.5Å; S40-Q42 PolarHBondContact OG-OE1 3.46Å
43V95.7Very high92.1Very high18 Ų1862.5 Ų62.511%0.10939%0.387CS..  trans-102.5114.3-174.4179.70000108.8Y27 T28 C29 P33 F36 N37 S40 P41Y27-V43 HydrophobicContact CD1-CG1 3.62Å; Y27-V43 HydrophobicContact CE1-CG1 4.43Å; Y27-V43 HydrophobicContact CG-CG1 4.17Å; T28-V43 WeakPolarHBondContact O-CA 3.33Å; C29-V43 HydrophobicContact CB-CG2 4.32Å; P33-V43 HydrophobicContact CG-CG2 4.15Å; F36-V43 HydrophobicContact CE2-CG1 3.94Å; F36-V43 HydrophobicContact CE2-CG2 3.88Å; F36-V43 HydrophobicContact CZ-CG1 3.95Å; N37-V43 WeakPolarHBondContact O-CG2 3.29Å; S40-V43 WeakPolarHBondContact O-CB 3.33Å; S40-V43 PolarHBondContact O-N 3.28Å; P41-V43 VanDerWaalsContact C-N 3.28Å
44G96.1Very high92.3Very high31 Ų3162.8 Ų62.832%0.3239%0.385SS..EExtended strand (participates in β ladder)trans-95.7178.6168.100000112Y27 T28Y27-G44 WeakPolarHBondContact CA-O 3.45Å; T28-G44 PolarHBondContact N-O 3.39Å; T28-G44 PolarHBondContact O-N 3.39Å
45N95.1Very high92.8Very high114 Ų11459 Ų5961%0.6135%0.354SS*.EExtended strand (participates in β ladder)trans-124.2147.5168.656.9-15.6000109.8C26 Y92C26-N45 CarbonylContact O-C 3.6Å; C26-N45 VanDerWaalsContact O-CA 3.26Å; C26-N45 WeakPolarHBondContact O-CA 3.19Å; N45-Y92 HydrophobicContact CB-CE1 4.03Å
46Q95.2Very high93.1Very high97 Ų9755.2 Ų55.245%0.45334%0.335SS..EExtended strand (participates in β ladder)trans-138.8126.8174-176.3173.4-8.400109.2S25 C26 T28 C49 C67S25-Q46 CarbonylContact C-O 3.47Å; S25-Q46 VanDerWaalsContact CA-O 3.31Å; S25-Q46 WeakPolarHBondContact CA-O 3.38Å; C26-Q46 PolarHBondContact N-O 2.97Å; C26-Q46 PolarHBondContact O-N 2.97Å; T28-Q46 HydrophobicContact CG2-CB 3.62Å; Q46-C49 PolarHBondContact O-SG 2.86Å; Q46-C67 HydrophobicContact CB-CB 4.13Å; Q46-C67 VanDerWaalsContact CD-CB 3.41Å; Q46-C67 HydrophobicContact CG-CB 3.94Å
47S92.8Very high93.3Very high88 Ų8854.9 Ų54.962%0.61534%0.335SS*.EExtended strand (participates in β ladder)trans-93.5167.9173.856.80000111.4
48G90.9Very high93.3Very high48 Ų4856.4 Ų56.450%0.49534%0.338SS..EExtended strand (participates in β ladder)trans80.821.3179.400000113.6S23 L24S23-G48 VanDerWaalsContact OG-CA 3.31Å; S23-G48 WeakPolarHBondContact OG-CA 3.44Å; S23-G48 PolarHBondContact OG-N 2.88Å; L24-G48 PolarHBondContact O-N 3.03Å
49C91.1Very high93.1Very high3 Ų363.5 Ų63.52%0.0236%0.358CS..EExtended strand (participates in β ladder)trans-84149.6-178.6-55.20000111.3L24 C26 Q46 C67L24-C49 HydrophobicContact CD1-CB 3.81Å; L24-C49 HydrophobicContact CG-CB 3.98Å; L24-C49 VanDerWaalsContact CG-O 3.31Å; L24-C49 WeakPolarHBondContact CG-O 3.38Å; L24-C49 PolarHBondContact N-O 3.32Å; L24-C49 VanDerWaalsContact N-O 3.15Å; L24-C49 VanDerWaalsContact O-CB 3.3Å; L24-C49 WeakPolarHBondContact O-CB 3.35Å; L24-C49 PolarHBondContact O-N 3.32Å; C26-C49 VanDerWaalsContact SG-CB 3.56Å; Q46-C49 PolarHBondContact O-SG 2.86Å; C49-C67 WeakPolarHBondContact CA-SG 3.3Å; C49-C67 HydrophobicContact CB-CB 4.13Å; C49-C67 WeakPolarHBondContact CB-SG 3.18Å; C49-C67 WeakPolarHBondContact SG-CB 3.5Å; C49-C67 CovalentContact SG-SG 2.01Å; C49-C67 PolarHBondContact SG-SG 2.85Å
50A91.3Very high93Very high46 Ų4662.7 Ų62.738%0.3834%0.338SS..SBendtrans-88.2-34.2163.400000111.4L24L24-A50 VanDerWaalsContact CD2-O 3.29Å; L24-A50 WeakPolarHBondContact CD2-O 3.39Å
51W92.8Very high92.7Very high77 Ų7773.3 Ų73.329%0.29238%0.376SS..EExtended strand (participates in β ladder)trans-141.4139.1179.2-62.990.8000111.7V53 S68 C71 C87 N89W51-V53 HydrophobicContact CB-CG2 4.3Å; W51-S68 PolarHBondContact N-O 3.38Å; W51-S68 PolarHBondContact O-N 2.87Å; W51-C71 HydrophobicContact CB-CB 4.42Å; W51-C71 HydrophobicContact CD2-CB 3.68Å; W51-C71 HydrophobicContact CE3-CB 4.09Å; W51-C71 HydrophobicContact CG-CB 3.8Å; W51-C87 HydrophobicContact CD2-CB 4.44Å; W51-C87 HydrophobicContact CE3-CB 3.79Å; W51-C87 HydrophobicContact CZ3-CB 4.44Å; W51-N89 HydrophobicContact CE3-CB 4.06Å; W51-N89 HydrophobicContact CH2-CB 4.44Å; W51-N89 HydrophobicContact CZ3-CB 3.88Å
52C93.8Very high92.6Very high0 Ų068.5 Ų68.50%034%0.344CS..EExtended strand (participates in β ladder)trans-90.6124.5161.8-620000110.1L24 C26 C87 C88 C93 N94L24-C52 HydrophobicContact CD1-CB 4.3Å; L24-C52 WeakPolarHBondContact CD1-SG 2.94Å; C26-C52 WeakPolarHBondContact CA-SG 2.95Å; C26-C52 HydrophobicContact CB-CB 3.83Å; C26-C52 WeakPolarHBondContact CB-SG 3.24Å; C26-C52 WeakPolarHBondContact SG-CA 3.32Å; C26-C52 WeakPolarHBondContact SG-CB 3.26Å; C26-C52 PolarHBondContact SG-N 3.37Å; C26-C52 CovalentContact SG-SG 2.04Å; C26-C52 PolarHBondContact SG-SG 2.89Å; C52-C87 VanDerWaalsContact O-CA 3.29Å; C52-C87 WeakPolarHBondContact O-CA 3.38Å; C52-C88 PolarHBondContact N-O 3.3Å; C52-C88 PolarHBondContact O-N 2.95Å; C52-C93 VanDerWaalsContact CB-SG 3.54Å; C52-N94 HydrophobicContact CB-CB 3.73Å
53V94.5Very high92.6Very high0 Ų064.1 Ų64.10%032%0.324CS..EExtended strand (participates in β ladder)trans-114.2141.2-175-1690000109.8W51 I55 R65 K66 F76 Y86 N94W51-V53 HydrophobicContact CB-CG2 4.3Å; V53-I55 HydrophobicContact CG1-CD1 4.08Å; V53-I55 HydrophobicContact CG1-CG1 3.6Å; V53-R65 VanDerWaalsContact O-CA 3.23Å; V53-R65 WeakPolarHBondContact O-CA 3.14Å; V53-K66 HydrophobicContact CB-CG 4.08Å; V53-K66 PolarHBondContact N-O 2.87Å; V53-K66 PolarHBondContact O-N 3.47Å; V53-F76 HydrophobicContact CB-CZ 4.31Å; V53-F76 HydrophobicContact CG1-CE1 4.01Å; V53-F76 HydrophobicContact CG1-CE2 4.11Å; V53-F76 HydrophobicContact CG1-CZ 3.61Å; V53-F76 HydrophobicContact CG2-CE1 4.27Å; V53-F76 HydrophobicContact CG2-CZ 3.77Å; V53-Y86 CarbonylContact C-O 3.32Å; V53-Y86 WeakPolarHBondContact CA-O 3.08Å; V53-N94 PolarHBondContact O-ND2 3.47Å
54K94.6Very high92.6Very high32 Ų3263.2 Ų63.214%0.13932%0.319CS..EExtended strand (participates in β ladder)trans-118.9121.1163.1178.6-175.7174.8-174.50108.3P63 I64 R65 Y85 Y86K54-P63 HydrophobicContact CG-CB 4.27Å; K54-I64 CarbonylContact C-O 3.57Å; K54-I64 WeakPolarHBondContact CA-O 3.18Å; K54-R65 HydrophobicContact CB-CG 4.43Å; K54-R65 HydrophobicContact CG-CG 4.46Å; K54-Y85 CarbonylContact O-C 3.52Å; K54-Y85 WeakPolarHBondContact O-CA 3.39Å; K54-Y86 PolarHBondContact N-O 3.34Å; K54-Y86 PolarHBondContact O-N 3.11Å
55I94.5Very high92.6Very high0 Ų062 Ų620%031%0.305CS..EExtended strand (participates in β ladder)trans-112.6133.4179.4-54.9180000109V53 V57 P63 I64 K66 F76 Y80 F83 S84V53-I55 HydrophobicContact CG1-CD1 4.08Å; V53-I55 HydrophobicContact CG1-CG1 3.6Å; I55-V57 HydrophobicContact CG2-CG2 4.02Å; I55-P63 WeakPolarHBondContact O-CA 3.44Å; I55-I64 HydrophobicContact CB-CB 4.21Å; I55-I64 PolarHBondContact N-O 3.19Å; I55-I64 PolarHBondContact O-N 2.76Å; I55-K66 HydrophobicContact CD1-CD 4.42Å; I55-F76 HydrophobicContact CD1-CD1 3.65Å; I55-F76 HydrophobicContact CD1-CE1 4.06Å; I55-F76 HydrophobicContact CD1-CG 4.07Å; I55-Y80 HydrophobicContact CD1-CD2 3.79Å; I55-Y80 HydrophobicContact CD1-CE2 3.31Å; I55-Y80 HydrophobicContact CG2-CD2 4.06Å; I55-Y80 HydrophobicContact CG2-CE2 4.35Å; I55-Y80 HydrophobicContact CG2-CG 4.29Å; I55-F83 HydrophobicContact CG2-CB 4.07Å; I55-F83 HydrophobicContact CG2-CD2 4.13Å; I55-F83 HydrophobicContact CG2-CG 4.41Å; I55-S84 WeakPolarHBondContact CA-O 3.31Å
56I93.6Very high92.6Very high79 Ų7958.4 Ų58.441%0.40528%0.284SS..EExtended strand (participates in β ladder)trans-116.7107.5174.6-55.6173.2000106.7P63 F83 S84I56-P63 HydrophobicContact CG1-CB 4.33Å; I56-F83 CarbonylContact O-C 3.55Å; I56-F83 VanDerWaalsContact O-CA 3.22Å; I56-F83 WeakPolarHBondContact O-CA 3.39Å; I56-F83 WeakPolarHBondContact O-CB 3Å; I56-S84 PolarHBondContact N-O 3.44Å; I56-S84 PolarHBondContact O-N 3.44Å
57V93.7Very high92.6Very high24 Ų2454.9 Ų54.915%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-88.3131.9177.1-174.90000108.5I55 Y59 R60 I64 Y80 F83I55-V57 HydrophobicContact CG2-CG2 4.02Å; V57-Y59 PolarHBondContact O-N 3.23Å; V57-R60 HydrophobicContact CB-CB 4.09Å; V57-R60 WeakPolarHBondContact O-CB 3.4Å; V57-R60 PolarHBondContact O-N 3.13Å; V57-I64 HydrophobicContact CG2-CD1 4.02Å; V57-Y80 HydrophobicContact CG2-CD1 3.66Å; V57-Y80 HydrophobicContact CG2-CE1 4.4Å; V57-Y80 HydrophobicContact CG2-CG 4.03Å; V57-F83 HydrophobicContact CG2-CB 4.41Å
58K90.1Very high92.6Very high117 Ų11750.9 Ų50.951%0.50924%0.242SC..THydrogen-bonded Turntrans-57.2135176.7-166179.6-174.7179.10109R60 K82K58-R60 PolarHBondContact O-N 3.34Å; K58-K82 HydrophobicContact CB-CB 3.83Å; K58-K82 WeakPolarHBondContact CB-O 3.26Å; K58-K82 HydrophobicContact CD-CB 4.2Å; K58-K82 HydrophobicContact CD-CD 4.16Å; K58-K82 PolarHBondContact N-O 3.21Å
59Y88.4Confident92.6Very high188 Ų18854.1 Ų54.174%0.73725%0.248SC*.THydrogen-bonded Turntrans73.4-4.4-176.2-43.2-71.3000116.5V57 K82V57-Y59 PolarHBondContact O-N 3.23Å; Y59-K82 HydrophobicContact CE2-CD 4.49Å
60R89.8Confident92.7Very high88 Ų8861.2 Ų61.233%0.33227%0.274SS..  trans-84.3131.6167.7-159.6176.6-168170.83.8109.3E30 T31 V57 K58 T62E30-R60 PolarHBondContact O-NH1 3.43Å; E30-R60 PolarHBondContact O-NH2 3.08Å; E30-R60 IonicContact OE2-NH1 3.54Å; T31-R60 VanDerWaalsContact CG2-NH2 3.27Å; V57-R60 HydrophobicContact CB-CB 4.09Å; V57-R60 WeakPolarHBondContact O-CB 3.4Å; V57-R60 PolarHBondContact O-N 3.13Å; K58-R60 PolarHBondContact O-N 3.34Å; R60-T62 VanDerWaalsContact C-N 3.28Å; R60-T62 WeakPolarHBondContact CD-O 3.44Å; R60-T62 WeakPolarHBondContact CG-O 3.31Å; R60-T62 PolarHBondContact O-N 3.26Å
61R86.5Confident92.7Very high242 Ų24261 Ų6191%0.91327%0.269SS*.SBendtrans-69.1-28.8178.5-67.3-175.2-178.4173.11.3112.8
62T91.3Very high92.7Very high38 Ų3859.7 Ų59.723%0.23327%0.268CS..SBendtrans-118.8140.5-172.547.40000111.2C32 R60C32-T62 WeakPolarHBondContact O-CB 3.45Å; C32-T62 WeakPolarHBondContact O-CG2 3.46Å; R60-T62 VanDerWaalsContact C-N 3.28Å; R60-T62 WeakPolarHBondContact CD-O 3.44Å; R60-T62 WeakPolarHBondContact CG-O 3.31Å; R60-T62 PolarHBondContact O-N 3.26Å
63P93.2Very high92.6Very high16 Ų1664.3 Ų64.310%0.10429%0.286CS..  trans-72.7159.8173.331-33.1000110.7C32 K54 I55 I56C32-P63 HydrophobicContact CB-CG 4.18Å; C32-P63 WeakPolarHBondContact CB-O 3.39Å; C32-P63 PolarHBondContact N-O 3.47Å; C32-P63 VanDerWaalsContact N-O 3.12Å; C32-P63 PolarHBondContact SG-O 2.87Å; K54-P63 HydrophobicContact CG-CB 4.27Å; I55-P63 WeakPolarHBondContact O-CA 3.44Å; I56-P63 HydrophobicContact CG1-CB 4.33Å
64I95Very high92.6Very high0 Ų073 Ų730%032%0.32CS..EExtended strand (participates in β ladder)trans-102.3142.9170.2-52.8169.2000107.6C29 K54 I55 V57 Y80C29-I64 CarbonylContact O-C 3.52Å; C29-I64 WeakPolarHBondContact O-CA 3.25Å; K54-I64 CarbonylContact C-O 3.57Å; K54-I64 WeakPolarHBondContact CA-O 3.18Å; I55-I64 HydrophobicContact CB-CB 4.21Å; I55-I64 PolarHBondContact N-O 3.19Å; I55-I64 PolarHBondContact O-N 2.76Å; V57-I64 HydrophobicContact CG2-CD1 4.02Å; I64-Y80 HydrophobicContact CD1-CD1 3.95Å; I64-Y80 HydrophobicContact CD1-CE1 3.2Å
65R95.8Very high92.6Very high4 Ų475.2 Ų75.22%0.01533%0.328CS..EExtended strand (participates in β ladder)trans-127.1137.7169.2-70.1176.1177.879.4-4.3109.7Y27 T28 C29 C32 V53 K54 N94 K95 S96Y27-R65 WeakPolarHBondContact O-CB 3.19Å; T28-R65 CarbonylContact C-O 3.57Å; T28-R65 WeakPolarHBondContact CA-O 3.23Å; C29-R65 PolarHBondContact N-O 3.39Å; C29-R65 PolarHBondContact O-N 2.92Å; C32-R65 PolarHBondContact SG-N 3.48Å; C32-R65 VanDerWaalsContact SG-N 3.4Å; C32-R65 PolarHBondContact SG-NH1 3.3Å; C32-R65 VanDerWaalsContact SG-NH1 3.4Å; V53-R65 VanDerWaalsContact O-CA 3.23Å; V53-R65 WeakPolarHBondContact O-CA 3.14Å; K54-R65 HydrophobicContact CB-CG 4.43Å; K54-R65 HydrophobicContact CG-CG 4.46Å; R65-N94 WeakPolarHBondContact CD-O 3.42Å; R65-N94 PolarHBondContact NE-O 2.73Å; R65-K95 PolarHBondContact NH2-O 2Å; R65-S96 PolarHBondContact NH2-OG 3.04Å
66K95.3Very high92.6Very high39 Ų3975.2 Ų75.217%0.1733%0.328CS..EExtended strand (participates in β ladder)trans-152156.9179.965.3-179.1-169.8175.90113.2V53 I55 F76V53-K66 HydrophobicContact CB-CG 4.08Å; V53-K66 PolarHBondContact N-O 2.87Å; V53-K66 PolarHBondContact O-N 3.47Å; I55-K66 HydrophobicContact CD1-CD 4.42Å; K66-F76 VanDerWaalsContact CE-CE1 3.47Å
67C95Very high92.6Very high23 Ų2378 Ų7816%0.15533%0.334CS..EExtended strand (participates in β ladder)trans-72.2136.6159.7-170.60000109T28 Q46 C49T28-C67 HydrophobicContact CG2-CB 4.46Å; Q46-C67 HydrophobicContact CB-CB 4.13Å; Q46-C67 VanDerWaalsContact CD-CB 3.41Å; Q46-C67 HydrophobicContact CG-CB 3.94Å; C49-C67 WeakPolarHBondContact CA-SG 3.3Å; C49-C67 HydrophobicContact CB-CB 4.13Å; C49-C67 WeakPolarHBondContact CB-SG 3.18Å; C49-C67 WeakPolarHBondContact SG-CB 3.5Å; C49-C67 CovalentContact SG-SG 2.01Å; C49-C67 PolarHBondContact SG-SG 2.85Å
68S93.6Very high92.6Very high4 Ų485.6 Ų85.63%0.02837%0.365CS..EExtended strand (participates in β ladder)trans-145.2141.8-179.3-1680000111.7W51 R70 Y75W51-S68 PolarHBondContact N-O 3.38Å; W51-S68 PolarHBondContact O-N 2.87Å; S68-R70 VanDerWaalsContact C-N 3.29Å; S68-R70 WeakPolarHBondContact CB-O 3.46Å; S68-R70 PolarHBondContact OG-N 3.34Å; S68-R70 PolarHBondContact OG-O 3Å; S68-Y75 WeakPolarHBondContact OG-CE1 3.43Å
69D91.4Very high92.8Very high116 Ų11684 Ų8462%0.6237%0.368SS*.SBendtrans-75.7-23.5173.8-56.8-34.7000111.8
70R92.2Very high93Very high152 Ų15276.6 Ų76.657%0.57434%0.339SS*.  trans-129.2149.6-176.3-58.8-171.9-175.2-173.3-0.4111.6S68 Y75 F76S68-R70 VanDerWaalsContact C-N 3.29Å; S68-R70 WeakPolarHBondContact CB-O 3.46Å; S68-R70 PolarHBondContact OG-N 3.34Å; S68-R70 PolarHBondContact OG-O 3Å; R70-Y75 HydrophobicContact CB-CD1 4.08Å; R70-Y75 HydrophobicContact CB-CD2 4.12Å; R70-Y75 HydrophobicContact CB-CE1 4.49Å; R70-Y75 HydrophobicContact CB-CG 3.89Å; R70-Y75 HydrophobicContact CG-CD2 4.28Å; R70-Y75 HydrophobicContact CG-CE2 4.49Å; R70-F76 WeakPolarHBondContact O-CZ 3.38Å
71C91.4Very high93Very high42 Ų4276.6 Ų76.628%0.28435%0.353SS..  trans-125.877.4169.7179.80000109.6W51 C87W51-C71 HydrophobicContact CB-CB 4.42Å; W51-C71 HydrophobicContact CD2-CB 3.68Å; W51-C71 HydrophobicContact CE3-CB 4.09Å; W51-C71 HydrophobicContact CG-CB 3.8Å; C71-C87 HydrophobicContact CB-CB 3.66Å; C71-C87 WeakPolarHBondContact CB-SG 3.14Å; C71-C87 WeakPolarHBondContact SG-CB 3Å; C71-C87 CovalentContact SG-SG 2.01Å; C71-C87 PolarHBondContact SG-SG 3.31Å
72D92.6Very high93.4Very high49 Ų4971.1 Ų71.126%0.26234%0.336SS..  trans-146.2155.4175.67284.1000110.9Y74 Y75 F76D72-Y74 PolarHBondContact O-N 3Å; D72-Y74 PolarHBondContact OD1-N 2.93Å; D72-Y74 VanDerWaalsContact OD1-N 3.11Å; D72-Y75 PolarHBondContact O-N 2.83Å; D72-Y75 WeakPolarHBondContact OD1-CB 3.2Å; D72-Y75 PolarHBondContact OD1-N 3.07Å; D72-Y75 WeakPolarHBondContact OD2-CB 3.42Å; D72-F76 WeakPolarHBondContact O-CD2 3.18Å
73Y93Very high93.5Very high98 Ų9870.5 Ų70.538%0.38433%0.33SS..Hα-helixtrans-61.5-43.5-175.9177.9-95.8000112.9Y75 F76 W77 F83 Y85Y73-Y75 VanDerWaalsContact C-N 3.29Å; Y73-Y75 PolarHBondContact O-N 3.04Å; Y73-F76 PolarHBondContact O-N 3.04Å; Y73-W77 HydrophobicContact CD1-CB 4.5Å; Y73-W77 HydrophobicContact CE1-CB 4.28Å; Y73-W77 HydrophobicContact CE1-CD2 4.14Å; Y73-W77 AromaticContact CE1-CE3 3.76Å; Y73-W77 HydrophobicContact CE1-CE3 3.76Å; Y73-W77 HydrophobicContact CE1-CG 4.38Å; Y73-W77 HydrophobicContact CE1-CZ3 4.45Å; Y73-W77 HydrophobicContact CE2-CE3 4.28Å; Y73-W77 AromaticContact CZ-CE3 3.41Å; Y73-W77 VanDerWaalsContact CZ-CE3 3.41Å; Y73-W77 AromaticContact CZ-CZ3 3.87Å; Y73-W77 WeakPolarHBondContact O-CB 2.91Å; Y73-W77 PolarHBondContact O-N 2.8Å; Y73-W77 WeakPolarHBondContact OH-CZ3 2.97Å; Y73-F83 HydrophobicContact CD2-CE1 4.33Å; Y73-F83 HydrophobicContact CD2-CE2 4.19Å; Y73-F83 AromaticContact CD2-CZ 3.64Å; Y73-F83 HydrophobicContact CD2-CZ 3.64Å; Y73-F83 AromaticContact CE2-CE1 3.95Å; Y73-F83 HydrophobicContact CE2-CE1 3.95Å; Y73-F83 HydrophobicContact CE2-CE2 4.46Å; Y73-F83 AromaticContact CE2-CZ 3.73Å; Y73-F83 HydrophobicContact CE2-CZ 3.73Å; Y73-F83 HydrophobicContact CG-CZ 4.34Å; Y73-Y85 HydrophobicContact CD2-CE1 4.14Å; Y73-Y85 PolarHBondContact N-OH 2.74Å
74Y94Very high93.5Very high182 Ų18272.8 Ų72.871%0.71435%0.346SS*.Hα-helixtrans-66.7-33.2-175.3-67.7-73.1000112.2D72D72-Y74 PolarHBondContact O-N 3Å; D72-Y74 PolarHBondContact OD1-N 2.93Å; D72-Y74 VanDerWaalsContact OD1-N 3.11Å
75Y94.3Very high93.4Very high79 Ų7977 Ų7731%0.3136%0.363SS..Hα-helixtrans-61.2-46.4173.6-177.8-103.5000111.8S68 R70 D72 Y73S68-Y75 WeakPolarHBondContact OG-CE1 3.43Å; R70-Y75 HydrophobicContact CB-CD1 4.08Å; R70-Y75 HydrophobicContact CB-CD2 4.12Å; R70-Y75 HydrophobicContact CB-CE1 4.49Å; R70-Y75 HydrophobicContact CB-CG 3.89Å; R70-Y75 HydrophobicContact CG-CD2 4.28Å; R70-Y75 HydrophobicContact CG-CE2 4.49Å; D72-Y75 PolarHBondContact O-N 2.83Å; D72-Y75 WeakPolarHBondContact OD1-CB 3.2Å; D72-Y75 PolarHBondContact OD1-N 3.07Å; D72-Y75 WeakPolarHBondContact OD2-CB 3.42Å; Y73-Y75 VanDerWaalsContact C-N 3.29Å; Y73-Y75 PolarHBondContact O-N 3.04Å
76F94.9Very high93.2Very high0 Ų079.6 Ų79.60%037%0.373CS..Hα-helixtrans-78.6-29-179.3-59-51.7000114V53 I55 K66 R70 D72 Y73 K78 S79 Y80 F83 Y85V53-F76 HydrophobicContact CB-CZ 4.31Å; V53-F76 HydrophobicContact CG1-CE1 4.01Å; V53-F76 HydrophobicContact CG1-CE2 4.11Å; V53-F76 HydrophobicContact CG1-CZ 3.61Å; V53-F76 HydrophobicContact CG2-CE1 4.27Å; V53-F76 HydrophobicContact CG2-CZ 3.77Å; I55-F76 HydrophobicContact CD1-CD1 3.65Å; I55-F76 HydrophobicContact CD1-CE1 4.06Å; I55-F76 HydrophobicContact CD1-CG 4.07Å; K66-F76 VanDerWaalsContact CE-CE1 3.47Å; R70-F76 WeakPolarHBondContact O-CZ 3.38Å; D72-F76 WeakPolarHBondContact O-CD2 3.18Å; Y73-F76 PolarHBondContact O-N 3.04Å; F76-K78 PolarHBondContact O-N 3.4Å; F76-K78 VanDerWaalsContact O-N 3.14Å; F76-S79 PolarHBondContact O-N 3.2Å; F76-Y80 HydrophobicContact CB-CD2 4.37Å; F76-Y80 WeakPolarHBondContact O-CD2 3.31Å; F76-Y80 PolarHBondContact O-N 3.42Å; F76-F83 HydrophobicContact CB-CD2 4.27Å; F76-F83 HydrophobicContact CB-CE1 4.42Å; F76-F83 HydrophobicContact CB-CE2 3.42Å; F76-F83 VanDerWaalsContact CB-CE2 3.42Å; F76-F83 HydrophobicContact CB-CZ 3.53Å; F76-F83 HydrophobicContact CD2-CE2 4.26Å; F76-F83 HydrophobicContact CG-CE2 4.25Å; F76-Y85 HydrophobicContact CD2-CD1 4.23Å; F76-Y85 AromaticContact CD2-CD2 3.75Å; F76-Y85 HydrophobicContact CD2-CD2 3.75Å; F76-Y85 HydrophobicContact CD2-CE2 4.2Å; F76-Y85 AromaticContact CD2-CG 3.75Å; F76-Y85 HydrophobicContact CD2-CG 3.75Å; F76-Y85 AromaticContact CE2-CD2 3.47Å; F76-Y85 HydrophobicContact CE2-CD2 3.47Å; F76-Y85 VanDerWaalsContact CE2-CD2 3.47Å; F76-Y85 AromaticContact CE2-CE2 3.93Å; F76-Y85 HydrophobicContact CE2-CE2 3.93Å; F76-Y85 AromaticContact CE2-CG 3.93Å; F76-Y85 HydrophobicContact CE2-CG 3.93Å
77W94Very high93.1Very high136 Ų13678.7 Ų78.752%0.51537%0.371SS..Hα-helixtrans-57.4-28.5179.3178.3-91.8000113.5Y73 S79 F83Y73-W77 HydrophobicContact CD1-CB 4.5Å; Y73-W77 HydrophobicContact CE1-CB 4.28Å; Y73-W77 HydrophobicContact CE1-CD2 4.14Å; Y73-W77 AromaticContact CE1-CE3 3.76Å; Y73-W77 HydrophobicContact CE1-CE3 3.76Å; Y73-W77 HydrophobicContact CE1-CG 4.38Å; Y73-W77 HydrophobicContact CE1-CZ3 4.45Å; Y73-W77 HydrophobicContact CE2-CE3 4.28Å; Y73-W77 AromaticContact CZ-CE3 3.41Å; Y73-W77 VanDerWaalsContact CZ-CE3 3.41Å; Y73-W77 AromaticContact CZ-CZ3 3.87Å; Y73-W77 WeakPolarHBondContact O-CB 2.91Å; Y73-W77 PolarHBondContact O-N 2.8Å; Y73-W77 WeakPolarHBondContact OH-CZ3 2.97Å; W77-S79 PolarHBondContact O-N 3.33Å; W77-F83 HydrophobicContact CB-CE1 4.17Å; W77-F83 HydrophobicContact CB-CZ 4.41Å; W77-F83 AromaticContact CE3-CE1 3.98Å; W77-F83 HydrophobicContact CE3-CE1 3.98Å
78K93.2Very high92.8Very high184 Ų18478 Ų7880%0.837%0.366SS*.THydrogen-bonded Turntrans-63.4-26176.3-66.9-177.4179.1-1760113.5F76F76-K78 PolarHBondContact O-N 3.4Å; F76-K78 VanDerWaalsContact O-N 3.14Å
79S93.1Very high92.5Very high84 Ų8479 Ų7959%0.58737%0.372SS*.THydrogen-bonded Turntrans-112-24.4-175.6-56.20000113.5F76 W77F76-S79 PolarHBondContact O-N 3.2Å; W77-S79 PolarHBondContact O-N 3.33Å
80Y92.9Very high92.3Very high32 Ų3276.2 Ų76.213%0.12536%0.359CS..  trans-130.3126.8-174.1-49.7-69.6000110.8I55 V57 I64 F76 F83I55-Y80 HydrophobicContact CD1-CD2 3.79Å; I55-Y80 HydrophobicContact CD1-CE2 3.31Å; I55-Y80 HydrophobicContact CG2-CD2 4.06Å; I55-Y80 HydrophobicContact CG2-CE2 4.35Å; I55-Y80 HydrophobicContact CG2-CG 4.29Å; V57-Y80 HydrophobicContact CG2-CD1 3.66Å; V57-Y80 HydrophobicContact CG2-CE1 4.4Å; V57-Y80 HydrophobicContact CG2-CG 4.03Å; I64-Y80 HydrophobicContact CD1-CD1 3.95Å; I64-Y80 HydrophobicContact CD1-CE1 3.2Å; F76-Y80 HydrophobicContact CB-CD2 4.37Å; F76-Y80 WeakPolarHBondContact O-CD2 3.31Å; F76-Y80 PolarHBondContact O-N 3.42Å; Y80-F83 WeakPolarHBondContact O-CD1 3.31Å; Y80-F83 VanDerWaalsContact O-CE1 3.31Å; Y80-F83 WeakPolarHBondContact O-CE1 3.3Å
81S91.1Very high92.2Very high88 Ų8873.1 Ų73.162%0.61535%0.354SS*.SBendtrans-89.2144.516766.80000109.8
82K93.1Very high92.2Very high128 Ų12874.6 Ų74.656%0.55735%0.354SS*.SBendtrans48.269.4175.9-59.9176.3-177.8171.50112.7K58 Y59K58-K82 HydrophobicContact CB-CB 3.83Å; K58-K82 WeakPolarHBondContact CB-O 3.26Å; K58-K82 HydrophobicContact CD-CB 4.2Å; K58-K82 HydrophobicContact CD-CD 4.16Å; K58-K82 PolarHBondContact N-O 3.21Å; Y59-K82 HydrophobicContact CE2-CD 4.49Å
83F94.3Very high92.1Very high25 Ų2572.9 Ų72.911%0.1135%0.346CS..EExtended strand (participates in β ladder)trans-126.5161.5-177.768.1-78.7000111.8I55 I56 V57 Y73 F76 W77 Y80 Y85I55-F83 HydrophobicContact CG2-CB 4.07Å; I55-F83 HydrophobicContact CG2-CD2 4.13Å; I55-F83 HydrophobicContact CG2-CG 4.41Å; I56-F83 CarbonylContact O-C 3.55Å; I56-F83 VanDerWaalsContact O-CA 3.22Å; I56-F83 WeakPolarHBondContact O-CA 3.39Å; I56-F83 WeakPolarHBondContact O-CB 3Å; V57-F83 HydrophobicContact CG2-CB 4.41Å; Y73-F83 HydrophobicContact CD2-CE1 4.33Å; Y73-F83 HydrophobicContact CD2-CE2 4.19Å; Y73-F83 AromaticContact CD2-CZ 3.64Å; Y73-F83 HydrophobicContact CD2-CZ 3.64Å; Y73-F83 AromaticContact CE2-CE1 3.95Å; Y73-F83 HydrophobicContact CE2-CE1 3.95Å; Y73-F83 HydrophobicContact CE2-CE2 4.46Å; Y73-F83 AromaticContact CE2-CZ 3.73Å; Y73-F83 HydrophobicContact CE2-CZ 3.73Å; Y73-F83 HydrophobicContact CG-CZ 4.34Å; F76-F83 HydrophobicContact CB-CD2 4.27Å; F76-F83 HydrophobicContact CB-CE1 4.42Å; F76-F83 HydrophobicContact CB-CE2 3.42Å; F76-F83 VanDerWaalsContact CB-CE2 3.42Å; F76-F83 HydrophobicContact CB-CZ 3.53Å; F76-F83 HydrophobicContact CD2-CE2 4.26Å; F76-F83 HydrophobicContact CG-CE2 4.25Å; W77-F83 HydrophobicContact CB-CE1 4.17Å; W77-F83 HydrophobicContact CB-CZ 4.41Å; W77-F83 AromaticContact CE3-CE1 3.98Å; W77-F83 HydrophobicContact CE3-CE1 3.98Å; Y80-F83 WeakPolarHBondContact O-CD1 3.31Å; Y80-F83 VanDerWaalsContact O-CE1 3.31Å; Y80-F83 WeakPolarHBondContact O-CE1 3.3Å; F83-Y85 HydrophobicContact CD2-CD1 4.19Å; F83-Y85 AromaticContact CE2-CD1 3.62Å; F83-Y85 HydrophobicContact CE2-CD1 3.62Å; F83-Y85 HydrophobicContact CE2-CE1 4.38Å; F83-Y85 HydrophobicContact CE2-CG 4.25Å
84S93.8Very high92Very high64 Ų6468.3 Ų68.345%0.44833%0.328SS..EExtended strand (participates in β ladder)trans-116.9154.3157.762.90000109.2I55 I56I55-S84 WeakPolarHBondContact CA-O 3.31Å; I56-S84 PolarHBondContact N-O 3.44Å; I56-S84 PolarHBondContact O-N 3.44Å
85Y93Very high91.7Very high87 Ų8764.6 Ų64.634%0.34132%0.315SS..EExtended strand (participates in β ladder)trans-137.1150.518069.8-76.6000110.1K54 Y73 F76 F83K54-Y85 CarbonylContact O-C 3.52Å; K54-Y85 WeakPolarHBondContact O-CA 3.39Å; Y73-Y85 HydrophobicContact CD2-CE1 4.14Å; Y73-Y85 PolarHBondContact N-OH 2.74Å; F76-Y85 HydrophobicContact CD2-CD1 4.23Å; F76-Y85 AromaticContact CD2-CD2 3.75Å; F76-Y85 HydrophobicContact CD2-CD2 3.75Å; F76-Y85 HydrophobicContact CD2-CE2 4.2Å; F76-Y85 AromaticContact CD2-CG 3.75Å; F76-Y85 HydrophobicContact CD2-CG 3.75Å; F76-Y85 AromaticContact CE2-CD2 3.47Å; F76-Y85 HydrophobicContact CE2-CD2 3.47Å; F76-Y85 VanDerWaalsContact CE2-CD2 3.47Å; F76-Y85 AromaticContact CE2-CE2 3.93Å; F76-Y85 HydrophobicContact CE2-CE2 3.93Å; F76-Y85 AromaticContact CE2-CG 3.93Å; F76-Y85 HydrophobicContact CE2-CG 3.93Å; F83-Y85 HydrophobicContact CD2-CD1 4.19Å; F83-Y85 AromaticContact CE2-CD1 3.62Å; F83-Y85 HydrophobicContact CE2-CD1 3.62Å; F83-Y85 HydrophobicContact CE2-CE1 4.38Å; F83-Y85 HydrophobicContact CE2-CG 4.25Å
86Y91.7Very high90.7Very high59 Ų5963.4 Ų63.423%0.23132%0.318CS..EExtended strand (participates in β ladder)trans-130.8134.2171.4170.7-100.7000107.4V53 K54 C88 I97 N99V53-Y86 CarbonylContact C-O 3.32Å; V53-Y86 WeakPolarHBondContact CA-O 3.08Å; K54-Y86 PolarHBondContact N-O 3.34Å; K54-Y86 PolarHBondContact O-N 3.11Å; Y86-C88 HydrophobicContact CE1-CB 3.92Å; Y86-I97 HydrophobicContact CD1-CG1 4.2Å; Y86-I97 HydrophobicContact CD2-CD1 4.43Å; Y86-I97 HydrophobicContact CE1-CG1 4.27Å; Y86-I97 HydrophobicContact CG-CD1 4.25Å; Y86-I97 HydrophobicContact CG-CG1 4.37Å; Y86-N99 PolarHBondContact OH-ND2 2.88Å
87C91.8Very high88.9Confident20 Ų2067.7 Ų67.714%0.13534%0.34CS..EExtended strand (participates in β ladder)trans-122.2154.5173.3-46.50000110.5W51 C52 C71W51-C87 HydrophobicContact CD2-CB 4.44Å; W51-C87 HydrophobicContact CE3-CB 3.79Å; W51-C87 HydrophobicContact CZ3-CB 4.44Å; C52-C87 VanDerWaalsContact O-CA 3.29Å; C52-C87 WeakPolarHBondContact O-CA 3.38Å; C71-C87 HydrophobicContact CB-CB 3.66Å; C71-C87 WeakPolarHBondContact CB-SG 3.14Å; C71-C87 WeakPolarHBondContact SG-CB 3Å; C71-C87 CovalentContact SG-SG 2.01Å; C71-C87 PolarHBondContact SG-SG 3.31Å
88C89.7Confident86.8Confident8 Ų868 Ų685%0.05435%0.348CS..EExtended strand (participates in β ladder)trans-151.8160.1172.452.30000108.9C52 Y86 C93 N94C52-C88 PolarHBondContact N-O 3.3Å; C52-C88 PolarHBondContact O-N 2.95Å; Y86-C88 HydrophobicContact CE1-CB 3.92Å; C88-C93 HydrophobicContact CB-CB 3.71Å; C88-C93 WeakPolarHBondContact CB-SG 3.01Å; C88-C93 WeakPolarHBondContact SG-CB 3.32Å; C88-C93 CovalentContact SG-SG 2Å; C88-C93 PolarHBondContact SG-SG 2.9Å; C88-N94 PolarHBondContact SG-N 3.14Å
89N87.5Confident84.8Confident27 Ų2761.9 Ų61.914%0.14432%0.323CS..  trans-124.230.4-167.562.5-27000112.6Y20 L24 W51Y20-N89 HydrophobicContact CD1-CB 4.5Å; Y20-N89 WeakPolarHBondContact CD1-ND2 3.22Å; Y20-N89 WeakPolarHBondContact CE1-ND2 3.31Å; L24-N89 HydrophobicContact CD2-CB 4.29Å; W51-N89 HydrophobicContact CE3-CB 4.06Å; W51-N89 HydrophobicContact CH2-CB 4.44Å; W51-N89 HydrophobicContact CZ3-CB 3.88Å
90T86.5Confident82.8Confident56 Ų5661 Ų6134%0.34432%0.317SS..SBendtrans-126.1159174.255.10000110.4Y92 C93T90-Y92 PolarHBondContact O-N 3.01Å; T90-C93 VanDerWaalsContact O-CB 3.25Å; T90-C93 WeakPolarHBondContact O-CB 2.96Å; T90-C93 PolarHBondContact O-N 3.4Å; T90-C93 PolarHBondContact O-SG 3.16Å; T90-C93 WeakPolarHBondContact OG1-CB 3.29Å
91D89.4Confident80.9Confident88 Ų8862 Ų6247%0.47133%0.332SS..THydrogen-bonded Turntrans-56.7128.6-177.6-77.9-25.8000112.2L24 S25 C93L24-D91 VanDerWaalsContact CA-OD1 3.31Å; L24-D91 WeakPolarHBondContact CA-OD1 3.49Å; S25-D91 PolarHBondContact N-OD1 2.73Å; D91-C93 PolarHBondContact O-N 3.18Å
92Y91.3Very high79.4Confident73 Ų7362.5 Ų62.529%0.28633%0.327SS..THydrogen-bonded Turntrans57.520174.1-59-64.8000114.4S25 Y27 N45 T90 N94 K95S25-Y92 PolarHBondContact O-N 3.26Å; Y27-Y92 HydrophobicContact CD1-CD1 4.09Å; Y27-Y92 HydrophobicContact CD2-CD1 4.03Å; Y27-Y92 AromaticContact CE1-CD1 3.85Å; Y27-Y92 HydrophobicContact CE1-CD1 3.85Å; Y27-Y92 HydrophobicContact CE1-CE1 4.32Å; Y27-Y92 AromaticContact CE2-CD1 3.81Å; Y27-Y92 HydrophobicContact CE2-CD1 3.81Å; Y27-Y92 HydrophobicContact CE2-CG 4Å; Y27-Y92 HydrophobicContact CG-CD1 4.17Å; Y27-Y92 AromaticContact CZ-CD1 3.71Å; N45-Y92 HydrophobicContact CB-CE1 4.03Å; T90-Y92 PolarHBondContact O-N 3.01Å; Y92-N94 PolarHBondContact O-N 2.71Å; Y92-K95 WeakPolarHBondContact O-CB 3.19Å; Y92-K95 WeakPolarHBondContact O-CG 3.08Å; Y92-K95 PolarHBondContact O-N 3.38Å; Y92-K95 VanDerWaalsContact O-N 3.16Å
93C90.3Very high77.8Confident13 Ų1360.7 Ų60.79%0.08832%0.32CS..G310 helixtrans-66.2-21.7-173.265.60000113.4C52 C88 T90 D91 K95C52-C93 VanDerWaalsContact CB-SG 3.54Å; C88-C93 HydrophobicContact CB-CB 3.71Å; C88-C93 WeakPolarHBondContact CB-SG 3.01Å; C88-C93 WeakPolarHBondContact SG-CB 3.32Å; C88-C93 CovalentContact SG-SG 2Å; C88-C93 PolarHBondContact SG-SG 2.9Å; T90-C93 VanDerWaalsContact O-CB 3.25Å; T90-C93 WeakPolarHBondContact O-CB 2.96Å; T90-C93 PolarHBondContact O-N 3.4Å; T90-C93 PolarHBondContact O-SG 3.16Å; T90-C93 WeakPolarHBondContact OG1-CB 3.29Å; D91-C93 PolarHBondContact O-N 3.18Å; C93-K95 PolarHBondContact O-N 3Å
94N92.2Very high76.2Confident1 Ų165 Ų651%0.00534%0.341CS..G310 helixtrans-775.817767.3-12.2000114Y27 C52 V53 R65 C88 Y92 S96Y27-N94 WeakPolarHBondContact CB-OD1 3.47Å; Y27-N94 PolarHBondContact N-OD1 2.97Å; Y27-N94 VanDerWaalsContact N-OD1 3.14Å; Y27-N94 PolarHBondContact O-ND2 3.45Å; C52-N94 HydrophobicContact CB-CB 3.73Å; V53-N94 PolarHBondContact O-ND2 3.47Å; R65-N94 WeakPolarHBondContact CD-O 3.42Å; R65-N94 PolarHBondContact NE-O 2.73Å; C88-N94 PolarHBondContact SG-N 3.14Å; Y92-N94 PolarHBondContact O-N 2.71Å; N94-S96 PolarHBondContact O-N 2.89Å
95K87.3Confident75.2Confident105 Ų10566.9 Ų66.946%0.45734%0.344SS..G310 helixtrans-53.4-50.6-179.961.9-168.7-179-175.30113.5Y27 F36 R65 Y92 C93Y27-K95 HydrophobicContact CD2-CB 3.84Å; Y27-K95 HydrophobicContact CE2-CB 3.62Å; F36-K95 VanDerWaalsContact CB-O 3.24Å; F36-K95 WeakPolarHBondContact CB-O 3.29Å; F36-K95 HydrophobicContact CD1-CB 3.89Å; F36-K95 WeakPolarHBondContact CD1-O 3.23Å; F36-K95 HydrophobicContact CE1-CB 3.53Å; F36-K95 WeakPolarHBondContact CG-O 3.22Å; F36-K95 HydrophobicContact CZ-CB 4.36Å; R65-K95 PolarHBondContact NH2-O 2Å; Y92-K95 WeakPolarHBondContact O-CB 3.19Å; Y92-K95 WeakPolarHBondContact O-CG 3.08Å; Y92-K95 PolarHBondContact O-N 3.38Å; Y92-K95 VanDerWaalsContact O-N 3.16Å; C93-K95 PolarHBondContact O-N 3Å
96S72.6Confident74.1Confident53 Ų5364.6 Ų64.637%0.37134%0.338SS..SBendtrans-178.8147.6167.6-81.20000106.9F36 R65 N94 Q98F36-S96 WeakPolarHBondContact CB-OG 3.33Å; R65-S96 PolarHBondContact NH2-OG 3.04Å; N94-S96 PolarHBondContact O-N 2.89Å; S96-Q98 PolarHBondContact O-N 3.4Å
97I58.2Low73.3Confident90 Ų9066.1 Ų66.146%0.46235%0.349SS..  trans-6694.3-173.4-59.9166.3000109.2Y86 N99Y86-I97 HydrophobicContact CD1-CG1 4.2Å; Y86-I97 HydrophobicContact CD2-CD1 4.43Å; Y86-I97 HydrophobicContact CE1-CG1 4.27Å; Y86-I97 HydrophobicContact CG-CD1 4.25Å; Y86-I97 HydrophobicContact CG-CG1 4.37Å; I97-N99 HydrophobicContact CG2-CB 4.29Å
98Q50.4Low72.5Confident144 Ų14470.5 Ų70.567%0.67337%0.369SS*.  trans-94.8-4.7158.3-117.5173.8-9.100111.2S96 S100 A101S96-Q98 PolarHBondContact O-N 3.4Å; Q98-S100 PolarHBondContact O-N 2.93Å; Q98-A101 PolarHBondContact O-N 3.18Å
99N49.4Very low72Confident54 Ų5474.1 Ų74.129%0.28939%0.387SS..Hα-helixtrans-55.7-26.3178.9-92.447.4000113.7Y86 I97 A101 I102 H103Y86-N99 PolarHBondContact OH-ND2 2.88Å; I97-N99 HydrophobicContact CG2-CB 4.29Å; N99-A101 VanDerWaalsContact C-N 3.29Å; N99-A101 PolarHBondContact O-N 2.82Å; N99-I102 PolarHBondContact O-N 2.04Å; N99-H103 PolarHBondContact ND2-NE2 3.22Å; N99-H103 WeakPolarHBondContact O-CB 3.41Å; N99-H103 PolarHBondContact O-CD2 2.83Å; N99-H103 PolarHBondContact O-N 3.14Å
100S52.4Low71.5Confident65 Ų6577 Ų7746%0.45540%0.401SS..Hα-helixtrans-57.2-44173.7174.50000111.1Q98 H104Q98-S100 PolarHBondContact O-N 2.93Å; S100-H104 VanDerWaalsContact O-CB 3.26Å; S100-H104 WeakPolarHBondContact O-CB 3.02Å; S100-H104 PolarHBondContact O-CD2 3.48Å; S100-H104 PolarHBondContact O-N 3.15Å; S100-H104 PolarHBondContact OG-CD2 2.01Å; S100-H104 VanDerWaalsContact OG-CD2 3.23Å
101A52.9Low71.1Confident53 Ų5378.3 Ų78.344%0.43841%0.405SS..Hα-helixtrans-66.3-45.4-179.300000112.2Q98 N99 H104 I105Q98-A101 PolarHBondContact O-N 3.18Å; N99-A101 VanDerWaalsContact C-N 3.29Å; N99-A101 PolarHBondContact O-N 2.82Å; A101-H104 PolarHBondContact O-N 2.92Å; A101-I105 WeakPolarHBondContact O-CD1 3.49Å; A101-I105 WeakPolarHBondContact O-CG1 3.34Å; A101-I105 PolarHBondContact O-N 2.9Å
102I59.7Low70.7Confident100 Ų10078.3 Ų78.351%0.51341%0.409SS..Hα-helixtrans-68.2-43.4-179.3-60.1176.2000110.7N99 H104 I105 L106N99-I102 PolarHBondContact O-N 2.04Å; I102-H104 PolarHBondContact O-N 2.8Å; I102-I105 PolarHBondContact O-N 3.27Å; I102-L106 HydrophobicContact CG2-CD1 4.05Å; I102-L106 HydrophobicContact CG2-CG 4.47Å; I102-L106 WeakPolarHBondContact O-CB 2.79Å; I102-L106 WeakPolarHBondContact O-CG 3.22Å; I102-L106 PolarHBondContact O-N 2.87Å
103H59.8Low70.1Confident89 Ų8977.9 Ų77.941%0.41241%0.411SS..Hα-helixtrans-64.8-39.4175.5-70.6-54.6000111.9N99 L106 I107N99-H103 PolarHBondContact ND2-NE2 3.22Å; N99-H103 WeakPolarHBondContact O-CB 3.41Å; N99-H103 PolarHBondContact O-CD2 2.83Å; N99-H103 PolarHBondContact O-N 3.14Å; H103-L106 PolarHBondContact O-N 3.03Å; H103-I107 WeakPolarHBondContact O-CB 3.39Å; H103-I107 WeakPolarHBondContact O-CD1 3.4Å; H103-I107 WeakPolarHBondContact O-CG1 3.36Å; H103-I107 PolarHBondContact O-N 3.46Å
104H60.5Low69.5Low116 Ų11680.9 Ų80.954%0.53743%0.429SS..Hα-helixtrans-61.7-45173.2-83.5-65.2000111.5S100 A101 I102 L106 I107 M108S100-H104 VanDerWaalsContact O-CB 3.26Å; S100-H104 WeakPolarHBondContact O-CB 3.02Å; S100-H104 PolarHBondContact O-CD2 3.48Å; S100-H104 PolarHBondContact O-N 3.15Å; S100-H104 PolarHBondContact OG-CD2 2.01Å; S100-H104 VanDerWaalsContact OG-CD2 3.23Å; A101-H104 PolarHBondContact O-N 2.92Å; I102-H104 PolarHBondContact O-N 2.8Å; H104-L106 PolarHBondContact O-N 2.96Å; H104-I107 PolarHBondContact O-N 2.84Å; H104-M108 WeakPolarHBondContact O-CB 3.34Å; H104-M108 WeakPolarHBondContact O-CG 2.95Å; H104-M108 PolarHBondContact O-N 3.12Å
105I71.5Confident68.8Low103 Ų10384.1 Ų84.153%0.52845%0.451SS..Hα-helixtrans-61.2-45.9177.3-68.5163.1000110.7A101 I102 M108 I109A101-I105 WeakPolarHBondContact O-CD1 3.49Å; A101-I105 WeakPolarHBondContact O-CG1 3.34Å; A101-I105 PolarHBondContact O-N 2.9Å; I102-I105 PolarHBondContact O-N 3.27Å; I105-M108 PolarHBondContact O-N 2.82Å; I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 HydrophobicContact CG2-CG1 4.47Å; I105-I109 VanDerWaalsContact O-CG1 3.29Å; I105-I109 WeakPolarHBondContact O-CG1 3.48Å; I105-I109 PolarHBondContact O-N 3.22Å
106L71.4Confident68.3Low40 Ų4084 Ų8421%0.20945%0.451CS..Hα-helixtrans-62.9-44.2178-73.7169.6000112.4N17 I102 H103 H104 M108 I109 I110N17-L106 VanDerWaalsContact OD1-CD1 3.25Å; N17-L106 WeakPolarHBondContact OD1-CD1 3.08Å; I102-L106 HydrophobicContact CG2-CD1 4.05Å; I102-L106 HydrophobicContact CG2-CG 4.47Å; I102-L106 WeakPolarHBondContact O-CB 2.79Å; I102-L106 WeakPolarHBondContact O-CG 3.22Å; I102-L106 PolarHBondContact O-N 2.87Å; H103-L106 PolarHBondContact O-N 3.03Å; H104-L106 PolarHBondContact O-N 2.96Å; L106-M108 VanDerWaalsContact C-N 3.32Å; L106-M108 PolarHBondContact O-N 2.93Å; L106-I109 PolarHBondContact O-N 3.4Å; L106-I110 VanDerWaalsContact O-CG1 3.32Å; L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 3.18Å
107I73.9Confident68.4Low90 Ų9087.4 Ų87.446%0.46246%0.456SS..Hα-helixtrans-60.6-43.8175.4-71.6166.2000110.2H103 H104 I109 I110 I111H103-I107 WeakPolarHBondContact O-CB 3.39Å; H103-I107 WeakPolarHBondContact O-CD1 3.4Å; H103-I107 WeakPolarHBondContact O-CG1 3.36Å; H103-I107 PolarHBondContact O-N 3.46Å; H104-I107 PolarHBondContact O-N 2.84Å; I107-I109 VanDerWaalsContact C-N 3.35Å; I107-I109 PolarHBondContact O-N 2.86Å; I107-I110 PolarHBondContact O-N 3.22Å; I107-I111 HydrophobicContact CG2-CD1 3.63Å; I107-I111 HydrophobicContact CG2-CG1 4.3Å; I107-I111 WeakPolarHBondContact O-CB 3.43Å; I107-I111 VanDerWaalsContact O-CG1 3.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.4Å; I107-I111 PolarHBondContact O-N 3.48Å
108M76.1Confident69.3Low112 Ų11288.6 Ų88.655%0.55246%0.462SS*.Hα-helixtrans-63.6-39.3177.6-71.2-60.3-66.500112H104 I105 L106 T112H104-M108 WeakPolarHBondContact O-CB 3.34Å; H104-M108 WeakPolarHBondContact O-CG 2.95Å; H104-M108 PolarHBondContact O-N 3.12Å; I105-M108 PolarHBondContact O-N 2.82Å; L106-M108 VanDerWaalsContact C-N 3.32Å; L106-M108 PolarHBondContact O-N 2.93Å; M108-T112 WeakPolarHBondContact O-CB 3.5Å; M108-T112 PolarHBondContact O-N 3.47Å; M108-T112 PolarHBondContact O-OG1 3.06Å
109I78.3Confident70.4Confident84 Ų8486.5 Ų86.543%0.43146%0.463SS..Hα-helixtrans-63.1-46.3174.1-69.3165.9000110.5I105 L106 I107 T112 L113I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 HydrophobicContact CG2-CG1 4.47Å; I105-I109 VanDerWaalsContact O-CG1 3.29Å; I105-I109 WeakPolarHBondContact O-CG1 3.48Å; I105-I109 PolarHBondContact O-N 3.22Å; L106-I109 PolarHBondContact O-N 3.4Å; I107-I109 VanDerWaalsContact C-N 3.35Å; I107-I109 PolarHBondContact O-N 2.86Å; I109-T112 PolarHBondContact O-N 2.81Å; I109-L113 HydrophobicContact CG2-CD1 4.04Å; I109-L113 HydrophobicContact CG2-CG 4.47Å; I109-L113 WeakPolarHBondContact O-CG 3.22Å; I109-L113 PolarHBondContact O-N 3.34Å
110I77.8Confident71.2Confident87 Ų8793 Ų9345%0.44648%0.484SS..Hα-helixtrans-61.8-47.5178.6-68.2167.3000110.8L106 I107 T112 L113 V114L106-I110 VanDerWaalsContact O-CG1 3.32Å; L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 3.18Å; I107-I110 PolarHBondContact O-N 3.22Å; I110-T112 VanDerWaalsContact C-N 3.32Å; I110-T112 PolarHBondContact O-N 2.85Å; I110-L113 PolarHBondContact O-N 3.37Å; I110-V114 HydrophobicContact CG2-CG2 4.38Å; I110-V114 VanDerWaalsContact O-CG2 3.31Å; I110-V114 WeakPolarHBondContact O-CG2 3.41Å; I110-V114 PolarHBondContact O-N 2.67Å
111I77.9Confident71.2Confident84 Ų8499.8 Ų99.843%0.43151%0.505SS..Hα-helixtrans-58.4-46.5176.7-69.5167.4000110I107 L113 V114 C115I107-I111 HydrophobicContact CG2-CD1 3.63Å; I107-I111 HydrophobicContact CG2-CG1 4.3Å; I107-I111 WeakPolarHBondContact O-CB 3.43Å; I107-I111 VanDerWaalsContact O-CG1 3.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.4Å; I107-I111 PolarHBondContact O-N 3.48Å; I111-L113 PolarHBondContact O-N 2.87Å; I111-V114 PolarHBondContact O-N 2.01Å; I111-C115 WeakPolarHBondContact O-CB 3.12Å; I111-C115 PolarHBondContact O-N 3.43Å; I111-C115 PolarHBondContact O-SG 2.97Å
112T79.9Confident72.1Confident88 Ų88102.2 Ų102.254%0.5451%0.509SS..Hα-helixtrans-60.8-43.7179.6-560000111.6M108 I109 I110 C115 F116M108-T112 WeakPolarHBondContact O-CB 3.5Å; M108-T112 PolarHBondContact O-N 3.47Å; M108-T112 PolarHBondContact O-OG1 3.06Å; I109-T112 PolarHBondContact O-N 2.81Å; I110-T112 VanDerWaalsContact C-N 3.32Å; I110-T112 PolarHBondContact O-N 2.85Å; T112-C115 PolarHBondContact O-N 2.85Å; T112-F116 VanDerWaalsContact O-CB 3.32Å; T112-F116 WeakPolarHBondContact O-CB 3.37Å; T112-F116 PolarHBondContact O-N 3.3Å
113L79.1Confident72.7Confident65 Ų65102.3 Ų102.334%0.3451%0.508SS..Hα-helixtrans-64.2-45.9176.5-72.3172.8000111.6L9 I109 I110 I111 C115 F116 Y117L9-L113 HydrophobicContact CD2-CD1 4.39Å; I109-L113 HydrophobicContact CG2-CD1 4.04Å; I109-L113 HydrophobicContact CG2-CG 4.47Å; I109-L113 WeakPolarHBondContact O-CG 3.22Å; I109-L113 PolarHBondContact O-N 3.34Å; I110-L113 PolarHBondContact O-N 3.37Å; I111-L113 PolarHBondContact O-N 2.87Å; L113-C115 PolarHBondContact O-N 2.81Å; L113-F116 PolarHBondContact O-N 2.01Å; L113-Y117 WeakPolarHBondContact O-CD2 3.31Å; L113-Y117 PolarHBondContact O-N 2.9Å
114V77.1Confident73.4Confident76 Ų76103 Ų10346%0.46151%0.514SS..Hα-helixtrans-59.8-47.4177.11710000110.7I110 I111 F116 Y117 I118I110-V114 HydrophobicContact CG2-CG2 4.38Å; I110-V114 VanDerWaalsContact O-CG2 3.31Å; I110-V114 WeakPolarHBondContact O-CG2 3.41Å; I110-V114 PolarHBondContact O-N 2.67Å; I111-V114 PolarHBondContact O-N 2.01Å; V114-F116 PolarHBondContact O-N 3.18Å; V114-Y117 PolarHBondContact O-N 3.22Å; V114-I118 HydrophobicContact CG1-CD1 3.67Å; V114-I118 HydrophobicContact CG1-CG1 4.43Å; V114-I118 VanDerWaalsContact O-CG1 3.26Å; V114-I118 WeakPolarHBondContact O-CG1 3.1Å; V114-I118 PolarHBondContact O-N 3.46Å
115C77.9Confident74.2Confident68 Ų68102.2 Ų102.246%0.45951%0.512SS..Hα-helixtrans-58.7-46.7175.6-71.80000111.7I111 T112 L113 Y117 I118 S119I111-C115 WeakPolarHBondContact O-CB 3.12Å; I111-C115 PolarHBondContact O-N 3.43Å; I111-C115 PolarHBondContact O-SG 2.97Å; T112-C115 PolarHBondContact O-N 2.85Å; L113-C115 PolarHBondContact O-N 2.81Å; C115-Y117 PolarHBondContact O-N 3.11Å; C115-I118 PolarHBondContact O-N 3.39Å; C115-S119 WeakPolarHBondContact O-CB 2.91Å; C115-S119 PolarHBondContact O-N 2.83Å; C115-S119 PolarHBondContact O-OG 3.46Å; C115-S119 VanDerWaalsContact O-OG 3.1Å
116F77.6Confident74.4Confident104 Ų104102.2 Ų102.246%0.45651%0.511SS..Hα-helixtrans-62.4-39.8179.2-174.5-95.5000112.8T112 L113 V114 R120T112-F116 VanDerWaalsContact O-CB 3.32Å; T112-F116 WeakPolarHBondContact O-CB 3.37Å; T112-F116 PolarHBondContact O-N 3.3Å; L113-F116 PolarHBondContact O-N 2.01Å; V114-F116 PolarHBondContact O-N 3.18Å; F116-R120 VanDerWaalsContact CZ-NH2 3.31Å; F116-R120 WeakPolarHBondContact O-CG 3.47Å; F116-R120 PolarHBondContact O-N 3.28Å
117Y74.8Confident74.6Confident124 Ų124106.3 Ų106.349%0.48653%0.531SS..Hα-helixtrans-71.1-34.2176.4-84.3-69000113.1L113 V114 C115L113-Y117 WeakPolarHBondContact O-CD2 3.31Å; L113-Y117 PolarHBondContact O-N 2.9Å; V114-Y117 PolarHBondContact O-N 3.22Å; C115-Y117 PolarHBondContact O-N 3.11Å
118I76.2Confident74.6Confident115 Ų115107.5 Ų107.559%0.5954%0.536SS*.Hα-helixtrans-68.6-44.1174.7-68.8168000110.2V114 C115 R120 K121V114-I118 HydrophobicContact CG1-CD1 3.67Å; V114-I118 HydrophobicContact CG1-CG1 4.43Å; V114-I118 VanDerWaalsContact O-CG1 3.26Å; V114-I118 WeakPolarHBondContact O-CG1 3.1Å; V114-I118 PolarHBondContact O-N 3.46Å; C115-I118 PolarHBondContact O-N 3.39Å; I118-R120 VanDerWaalsContact C-N 3.27Å; I118-R120 PolarHBondContact O-N 3Å; I118-K121 PolarHBondContact O-N 3.14Å
119S74Confident74.5Confident99 Ų99107.2 Ų107.269%0.69254%0.535SS*.Hα-helixtrans-73-12.7-178.5-59.20000115C115C115-S119 WeakPolarHBondContact O-CB 2.91Å; C115-S119 PolarHBondContact O-N 2.83Å; C115-S119 PolarHBondContact O-OG 3.46Å; C115-S119 VanDerWaalsContact O-OG 3.1Å
120R66.1Low74.2Confident190 Ų190109.1 Ų109.172%0.71754%0.544SS*.THydrogen-bonded Turntrans-97.82.7175.1-74.9-160.9175.3-160.20.3114F116 I118F116-R120 VanDerWaalsContact CZ-NH2 3.31Å; F116-R120 WeakPolarHBondContact O-CG 3.47Å; F116-R120 PolarHBondContact O-N 3.28Å; I118-R120 VanDerWaalsContact C-N 3.27Å; I118-R120 PolarHBondContact O-N 3Å
121K51.7Low73.8Confident209 Ų209111.1 Ų111.191%0.90955%0.553SS**  trans-99.10165.5-89.2-175.3175.3179.40109.7Y3 I118Y3-K121 PolarHBondContact OH-NZ 3.06Å; I118-K121 PolarHBondContact O-N 3.14Å

Retrieved 121 of 121 residues in 349.7 ms (Link to these results)

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