A0A096MHR3_POEFO Loading...

Fibroblast growth factor receptor like 1a

AlphaFold DB , UniProt , Accession A0A096MHR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 355 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
1M43.3Very low64.5Low248 Ų248135.3 Ų135.3100%1.22275%0.748SS**  0116.70-82.4168.8170.400107.7
2Q43.5Very low67.1Low192 Ų192137.5 Ų137.590%0.89774%0.736SS**  trans-75.5144.5172.6-92.3169.8-21.200109.9
3P49Very low69.3Low106 Ų106127 Ų12769%0.68868%0.68SS**  trans-68.2147.4-177-11.626.5000111.9E5P3-E5 PolarHBondContact O-N 3.48Å
4P55.5Low71.2Confident133 Ų133131.9 Ų131.986%0.86468%0.684SS**SBendtrans-81.939.3-175.234.5-35.1000114.2
5E54.5Low72.7Confident173 Ų173125.8 Ų125.881%0.80865%0.65SS**  trans-121.436.9-167.7-147.2172.9-169.200115.1P3P3-E5 PolarHBondContact O-N 3.48Å
6L55.1Low74Confident179 Ų179122.6 Ų122.694%0.93764%0.639SS**  trans-134.46.2165.4-99.5111.7000114.7G8L6-G8 PolarHBondContact O-N 3.48Å
7A61.1Low75Confident67 Ų67119.3 Ų119.355%0.55462%0.619SS**  trans-85.495.2172.700000108.7
8G73.4Confident75.7Confident41 Ų41116.9 Ų116.942%0.42361%0.612SS.*  trans-49.4162.817400000112.8L6 N43L6-G8 PolarHBondContact O-N 3.48Å; G8-N43 VanDerWaalsContact C-ND2 3.28Å; G8-N43 PolarHBondContact O-ND2 3.23Å
9K87.3Confident76.4Confident187 Ų187114.3 Ų114.381%0.81361%0.609SS**  trans-44.2133-175.5-68.4-175.3-179.5-177.60111.9V11 N43K9-V11 WeakPolarHBondContact O-CG2 3.44Å; K9-V11 PolarHBondContact O-N 2.77Å; K9-N43 PolarHBondContact O-ND2 3.14Å
10P92.1Very high76.9Confident82 Ų82114.8 Ų114.853%0.53261%0.606SS.*  trans-59.2128.7177-22.332000111.6N43 A97P10-N43 CarbonylContact C-O 3.53Å; P10-N43 VanDerWaalsContact CA-O 3.25Å; P10-N43 WeakPolarHBondContact CA-O 3.4Å; P10-A97 HydrophobicContact CB-CB 3.84Å
11V94.6Very high77.5Confident80 Ų80109.4 Ų109.449%0.48558%0.577SS.*EExtended strand (participates in β ladder)trans-120.7123.1178.8-178.50000108.8K9 N43 N95K9-V11 WeakPolarHBondContact O-CG2 3.44Å; K9-V11 PolarHBondContact O-N 2.77Å; V11-N43 HydrophobicContact CB-CB 4.02Å; V11-N43 HydrophobicContact CG2-CB 4.17Å; V11-N43 PolarHBondContact N-O 3.22Å; V11-N43 PolarHBondContact O-N 3.31Å; V11-N95 PolarHBondContact O-ND2 2.89Å
12R95.7Very high79.7Confident162 Ų162107.4 Ų107.461%0.61156%0.556SS**EExtended strand (participates in β ladder)trans-57.5152.2175.665.7-179.4-71.7-136.11.8111.7
13P95.8Very high81.8Confident1 Ų1105.9 Ų105.91%0.00654%0.542CS..EExtended strand (participates in β ladder)trans-63.4144.2179-21.235.1000111.7S41 P46 V93 N95 G98 I100P13-S41 CarbonylContact C-O 3.4Å; P13-S41 VanDerWaalsContact CA-O 3.27Å; P13-S41 WeakPolarHBondContact CA-O 3.22Å; P13-P46 HydrophobicContact CB-CB 4.14Å; P13-P46 HydrophobicContact CB-CG 4.19Å; P13-P46 HydrophobicContact CG-CB 3.91Å; P13-P46 HydrophobicContact CG-CG 4.42Å; P13-V93 HydrophobicContact CB-CG1 3.99Å; P13-N95 WeakPolarHBondContact CD-OD1 3.36Å; P13-N95 HydrophobicContact CG-CB 4.42Å; P13-G98 WeakPolarHBondContact CD-O 3.23Å; P13-G98 WeakPolarHBondContact CG-O 3.4Å; P13-I100 HydrophobicContact CB-CD1 3.9Å; P13-I100 HydrophobicContact CB-CG1 4Å; P13-I100 WeakPolarHBondContact O-CG2 3.43Å
14R95.6Very high83.8Confident196 Ų196105.5 Ų105.574%0.7453%0.527SS*.EExtended strand (participates in β ladder)trans-138.5139.1172.3-178.5179.8174.7178.20.3110.2T16 A40 S41R14-T16 PolarHBondContact O-N 2.78Å; R14-A40 CarbonylContact O-C 3.5Å; R14-A40 WeakPolarHBondContact O-CA 3.46Å; R14-A40 WeakPolarHBondContact O-CB 3.48Å; R14-S41 PolarHBondContact N-O 3.38Å; R14-S41 PolarHBondContact O-N 3.48Å
15F94.8Very high85.6Confident40 Ų40102.4 Ų102.418%0.17551%0.505CS..EExtended strand (participates in β ladder)trans-65127.5173-62.3-54.4000111M21 C38 T39 A40 V93 I100 A102F15-M21 HydrophobicContact CB-SD 4.2Å; F15-M21 HydrophobicContact CD1-CE 3.95Å; F15-M21 HydrophobicContact CD1-SD 3.92Å; F15-M21 HydrophobicContact CE1-CE 3.92Å; F15-M21 HydrophobicContact CE1-SD 4.5Å; F15-M21 HydrophobicContact CE2-CE 4.46Å; F15-M21 HydrophobicContact CG-CE 4.28Å; F15-M21 HydrophobicContact CG-SD 3.97Å; F15-M21 HydrophobicContact CZ-CE 4.18Å; F15-C38 WeakPolarHBondContact CE1-SG 3.32Å; F15-T39 WeakPolarHBondContact CA-O 3.21Å; F15-A40 HydrophobicContact CD1-CB 4.17Å; F15-V93 HydrophobicContact CE1-CG2 4.38Å; F15-I100 HydrophobicContact CD1-CD1 3.72Å; F15-I100 HydrophobicContact CD2-CD1 4.07Å; F15-I100 HydrophobicContact CE1-CD1 3.51Å; F15-I100 HydrophobicContact CE1-CG1 3.92Å; F15-I100 HydrophobicContact CE2-CB 4.4Å; F15-I100 HydrophobicContact CE2-CD1 3.92Å; F15-I100 HydrophobicContact CE2-CG1 4.29Å; F15-I100 HydrophobicContact CG-CD1 3.97Å; F15-I100 HydrophobicContact CZ-CB 4.2Å; F15-I100 HydrophobicContact CZ-CD1 3.63Å; F15-I100 HydrophobicContact CZ-CG1 3.75Å; F15-A102 HydrophobicContact CE2-CB 4.17Å; F15-A102 HydrophobicContact CZ-CB 3.84Å
16T92.6Very high87.5Confident75 Ų7595 Ų9546%0.4647%0.472SS..SBendtrans-83.9-27.6-179.252.60000112.5R14 P18 T39 S41R14-T16 PolarHBondContact O-N 2.78Å; T16-P18 VanDerWaalsContact C-CD 3.44Å; T16-T39 PolarHBondContact N-O 2.98Å; T16-T39 VanDerWaalsContact OG1-CB 3.32Å; T16-T39 WeakPolarHBondContact OG1-CB 3.24Å; T16-T39 PolarHBondContact OG1-O 3.39Å; T16-T39 PolarHBondContact OG1-OG1 3.14Å; T16-S41 WeakPolarHBondContact CG2-OG 3.28Å
17E90.6Very high89.3Confident66 Ų6691 Ų9131%0.30845%0.448SS..  trans-127.855-177.3-58.1-170.3149.400112.9A19 K20E17-A19 PolarHBondContact O-N 3.35Å; E17-A19 VanDerWaalsContact O-N 3.11Å; E17-K20 HydrophobicContact CB-CB 4.48Å; E17-K20 HydrophobicContact CB-CD 4.4Å; E17-K20 HydrophobicContact CB-CG 4.36Å; E17-K20 PolarHBondContact O-N 2.93Å; E17-K20 IonicContact OE1-NZ 3.07Å; E17-K20 PolarHBondContact OE1-NZ 3.29Å; E17-K20 WeakPolarHBondContact OE2-CD 3.5Å; E17-K20 VanDerWaalsContact OE2-CE 3.27Å; E17-K20 WeakPolarHBondContact OE2-CE 3.43Å; E17-K20 IonicContact OE2-NZ 3.4Å; E17-K20 PolarHBondContact OE2-NZ 2.98Å
18P88.8Confident90.7Very high76 Ų7692.9 Ų92.949%0.49444%0.441SS..G310 helixtrans-60.2-28.5-17425.6-34.9000113.3T16 K20 M21 R22T16-P18 VanDerWaalsContact C-CD 3.44Å; P18-K20 VanDerWaalsContact C-N 3.33Å; P18-K20 PolarHBondContact O-N 3.1Å; P18-M21 PolarHBondContact O-N 3.49Å; P18-M21 VanDerWaalsContact O-N 3.1Å; P18-R22 PolarHBondContact O-N 3.44Å
19A88.9Confident91.4Very high68 Ų6893.6 Ų93.656%0.56244%0.438SS*.G310 helixtrans-59.4-40.4175.800000112.6E17 M21 R22E17-A19 PolarHBondContact O-N 3.35Å; E17-A19 VanDerWaalsContact O-N 3.11Å; A19-M21 PolarHBondContact O-N 3.38Å; A19-R22 WeakPolarHBondContact O-CB 3.42Å; A19-R22 WeakPolarHBondContact O-CG 3.37Å; A19-R22 PolarHBondContact O-N 2.99Å
20K85.5Confident91.4Very high123 Ų12387.8 Ų87.854%0.53542%0.418SS..G310 helixtrans-72.7-9.1178.8-59.4-168.5-161.2158.40113E17 P18E17-K20 HydrophobicContact CB-CB 4.48Å; E17-K20 HydrophobicContact CB-CD 4.4Å; E17-K20 HydrophobicContact CB-CG 4.36Å; E17-K20 PolarHBondContact O-N 2.93Å; E17-K20 IonicContact OE1-NZ 3.07Å; E17-K20 PolarHBondContact OE1-NZ 3.29Å; E17-K20 WeakPolarHBondContact OE2-CD 3.5Å; E17-K20 VanDerWaalsContact OE2-CE 3.27Å; E17-K20 WeakPolarHBondContact OE2-CE 3.43Å; E17-K20 IonicContact OE2-NZ 3.4Å; E17-K20 PolarHBondContact OE2-NZ 2.98Å; P18-K20 VanDerWaalsContact C-N 3.33Å; P18-K20 PolarHBondContact O-N 3.1Å
21M89.5Confident91.1Very high2 Ų285.8 Ų85.81%0.0141%0.412CS..G310 helixtrans-103.9-4.5-180-50.1176.761.700112.3F15 P18 A19 R23 R24 C38 A102 Y104F15-M21 HydrophobicContact CB-SD 4.2Å; F15-M21 HydrophobicContact CD1-CE 3.95Å; F15-M21 HydrophobicContact CD1-SD 3.92Å; F15-M21 HydrophobicContact CE1-CE 3.92Å; F15-M21 HydrophobicContact CE1-SD 4.5Å; F15-M21 HydrophobicContact CE2-CE 4.46Å; F15-M21 HydrophobicContact CG-CE 4.28Å; F15-M21 HydrophobicContact CG-SD 3.97Å; F15-M21 HydrophobicContact CZ-CE 4.18Å; P18-M21 PolarHBondContact O-N 3.49Å; P18-M21 VanDerWaalsContact O-N 3.1Å; A19-M21 PolarHBondContact O-N 3.38Å; M21-R23 VanDerWaalsContact C-N 3.27Å; M21-R23 PolarHBondContact O-N 3.45Å; M21-R24 VanDerWaalsContact CB-NH1 3.3Å; M21-R24 WeakPolarHBondContact O-CD 3.32Å; M21-R24 PolarHBondContact O-NE 2.9Å; M21-R24 PolarHBondContact O-NH1 3.26Å; M21-C38 HydrophobicContact CE-CB 4.14Å; M21-A102 HydrophobicContact CE-CB 3.47Å; M21-A102 VanDerWaalsContact CE-CB 3.47Å; M21-Y104 VanDerWaalsContact CB-OH 3.26Å; M21-Y104 WeakPolarHBondContact CB-OH 2.9Å; M21-Y104 VanDerWaalsContact CG-OH 3.25Å; M21-Y104 WeakPolarHBondContact CG-OH 3.26Å
22R89.1Confident90.8Very high207 Ų20783.4 Ų83.478%0.78140%0.399SS*.  trans-55.3-38.8-176.3-76.9-179.9173.3-155.6-0.2113.4P18 A19 R24P18-R22 PolarHBondContact O-N 3.44Å; A19-R22 WeakPolarHBondContact O-CB 3.42Å; A19-R22 WeakPolarHBondContact O-CG 3.37Å; A19-R22 PolarHBondContact O-N 2.99Å; R22-R24 PolarHBondContact O-N 3.01Å; R22-R24 VanDerWaalsContact O-N 3.12Å
23R88.6Confident90.5Very high159 Ų15978.9 Ų78.960%0.639%0.392SS*.  trans-77.697.2177-174.1173.9179.1169.13.2110M21 V25M21-R23 VanDerWaalsContact C-N 3.27Å; M21-R23 PolarHBondContact O-N 3.45Å; R23-V25 VanDerWaalsContact CG-O 3.29Å; R23-V25 WeakPolarHBondContact CG-O 3.46Å; R23-V25 PolarHBondContact NE-O 2.94Å
24R90.1Very high90.3Very high99 Ų9979.3 Ų79.337%0.37440%0.395SS..  trans-81.2-29178.5-55.8-58-176.4-164.1-1.3113.1M21 R22 T103 Y104 K105M21-R24 VanDerWaalsContact CB-NH1 3.3Å; M21-R24 WeakPolarHBondContact O-CD 3.32Å; M21-R24 PolarHBondContact O-NE 2.9Å; M21-R24 PolarHBondContact O-NH1 3.26Å; R22-R24 PolarHBondContact O-N 3.01Å; R22-R24 VanDerWaalsContact O-N 3.12Å; R24-T103 WeakPolarHBondContact CD-O 3.45Å; R24-Y104 CarbonylContact O-C 3.55Å; R24-Y104 VanDerWaalsContact O-CA 3.3Å; R24-Y104 WeakPolarHBondContact O-CA 3.24Å; R24-K105 PolarHBondContact O-N 3.34Å
25V94.4Very high90.1Very high67 Ų6778.6 Ų78.641%0.40639%0.392SS..EExtended strand (participates in β ladder)trans-101121.1179.6-173.60000110R23 K105R23-V25 VanDerWaalsContact CG-O 3.29Å; R23-V25 WeakPolarHBondContact CG-O 3.46Å; R23-V25 PolarHBondContact NE-O 2.94Å; V25-K105 WeakPolarHBondContact CA-O 3.35Å; V25-K105 HydrophobicContact CG1-CD 4.43Å; V25-K105 HydrophobicContact CG2-CB 4.36Å
26I93.2Very high90Very high19 Ų1976.7 Ų76.710%0.09738%0.384CS..EExtended strand (participates in β ladder)trans-126.9107-175.1-57.5168000109R28 V34 L36 Y104 K105 V106 E107I26-R28 HydrophobicContact CG2-CG 4.02Å; I26-V34 HydrophobicContact CG2-CG2 3.77Å; I26-L36 HydrophobicContact CD1-CD2 3.31Å; I26-Y104 HydrophobicContact CD1-CD1 3.88Å; I26-K105 PolarHBondContact N-O 2.82Å; I26-V106 WeakPolarHBondContact O-CA 3.23Å; I26-E107 PolarHBondContact O-N 2.69Å
27E93.4Very high89.9Confident93 Ų9377.1 Ų77.144%0.43538%0.38SS..EExtended strand (participates in β ladder)trans-94.9132.2174.7-71.5168.7-157.300110.2E107 I109E27-E107 WeakPolarHBondContact CA-O 3.31Å; E27-E107 HydrophobicContact CG-CB 4.18Å; E27-I109 HydrophobicContact CB-CD1 3.83Å; E27-I109 HydrophobicContact CG-CD1 4Å
28R90.6Very high90Very high107 Ų10774 Ų7440%0.40437%0.365SS..EExtended strand (participates in β ladder)trans-143.6144.7-179.2-71.4-63.4173.2-175.3-2.2111.9I26 V34 L81 E107 V108 I109I26-R28 HydrophobicContact CG2-CG 4.02Å; R28-V34 HydrophobicContact CG-CB 4.25Å; R28-L81 HydrophobicContact CB-CD1 3.58Å; R28-L81 HydrophobicContact CG-CD1 4.2Å; R28-E107 PolarHBondContact N-O 3.14Å; R28-V108 CarbonylContact O-C 3.46Å; R28-V108 VanDerWaalsContact O-CA 3.26Å; R28-V108 WeakPolarHBondContact O-CA 3.1Å; R28-I109 PolarHBondContact O-N 3.06Å
29P88.2Confident90.2Very high57 Ų5771.8 Ų71.837%0.3735%0.35SS..EExtended strand (participates in β ladder)trans-73.2155.6176.428.1-31.4000112.3S32 I109P29-S32 WeakPolarHBondContact CD-OG 3.34Å; P29-S32 VanDerWaalsContact O-CB 3.32Å; P29-S32 WeakPolarHBondContact O-CB 3.31Å; P29-S32 PolarHBondContact O-N 3.15Å; P29-S32 PolarHBondContact O-OG 3.25Å; P29-I109 VanDerWaalsContact CA-O 3.26Å; P29-I109 WeakPolarHBondContact CA-O 3.48Å
30V88Confident90.4Very high65 Ų6569 Ų6939%0.39433%0.327SS..THydrogen-bonded Turntrans-52.5143.8169.51750000110.6S32 L81 P83 V108 I109 Q110V30-S32 PolarHBondContact O-N 3.02Å; V30-L81 CarbonylContact C-O 3.57Å; V30-L81 VanDerWaalsContact CA-O 3.32Å; V30-L81 WeakPolarHBondContact CA-O 3.14Å; V30-L81 WeakPolarHBondContact CG1-O 3.5Å; V30-P83 HydrophobicContact CG2-CG 4.44Å; V30-V108 HydrophobicContact CB-CG1 4.47Å; V30-V108 HydrophobicContact CG2-CG1 3.78Å; V30-I109 PolarHBondContact N-O 3.09Å; V30-I109 VanDerWaalsContact N-O 3.13Å; V30-Q110 HydrophobicContact CG2-CB 4.01Å; V30-Q110 HydrophobicContact CG2-CG 4.36Å
31G84.7Confident90.8Very high40 Ų4066.2 Ų66.241%0.41232%0.323SS..THydrogen-bonded Turntrans78.2-12.7-178.100000114.8L81G31-L81 PolarHBondContact N-O 3.27Å
32S89.3Confident90.9Very high30 Ų3067.1 Ų67.121%0.2133%0.333CS..  trans-79.1-175.5177.975.80000112.9P29 V30 N80 L81P29-S32 WeakPolarHBondContact CD-OG 3.34Å; P29-S32 VanDerWaalsContact O-CB 3.32Å; P29-S32 WeakPolarHBondContact O-CB 3.31Å; P29-S32 PolarHBondContact O-N 3.15Å; P29-S32 PolarHBondContact O-OG 3.25Å; V30-S32 PolarHBondContact O-N 3.02Å; S32-N80 PolarHBondContact O-N 2.93Å; S32-N80 VanDerWaalsContact O-N 3.16Å; S32-L81 WeakPolarHBondContact O-CG 3.37Å; S32-L81 PolarHBondContact O-N 2.89Å
33S89Confident91.1Very high67 Ų6759.8 Ų59.847%0.46931%0.309SS..  trans-132.1149.6179.6-59.60000111.5L78 K79S33-L78 CarbonylContact C-O 3.59Å; S33-L78 WeakPolarHBondContact CA-O 3.13Å; S33-L78 WeakPolarHBondContact CB-O 3.34Å; S33-K79 WeakPolarHBondContact OG-CA 3.46Å
34V91.1Very high91.3Very high10 Ų1054 Ų546%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-137.1146.6177.464.20000111.3I26 R28 L36 S77 L78 L81I26-V34 HydrophobicContact CG2-CG2 3.77Å; R28-V34 HydrophobicContact CG-CB 4.25Å; V34-L36 HydrophobicContact CG2-CD2 3.97Å; V34-S77 WeakPolarHBondContact O-CA 3.44Å; V34-L78 HydrophobicContact CG1-CB 3.81Å; V34-L78 HydrophobicContact CG1-CD1 3.85Å; V34-L78 HydrophobicContact CG1-CG 4.15Å; V34-L78 PolarHBondContact N-O 2.82Å; V34-L78 PolarHBondContact O-N 3.12Å; V34-L81 HydrophobicContact CB-CD1 4.44Å; V34-L81 HydrophobicContact CG1-CD1 4.06Å; V34-L81 HydrophobicContact CG1-CD2 4.23Å
35R91.8Very high91.3Very high180 Ų18053.8 Ų53.868%0.67930%0.304SS*.EExtended strand (participates in β ladder)trans-122.3119.5174.5-68.3-169-67.3-90.41.7110.3T75 L76R35-T75 HydrophobicContact CB-CG2 3.86Å; R35-T75 HydrophobicContact CG-CG2 4.29Å; R35-L76 CarbonylContact C-O 3.54Å; R35-L76 WeakPolarHBondContact CA-O 3.5Å
36L91.9Very high91.2Very high1 Ų150.8 Ų50.81%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-99.7121.5176.6-50.2-176.4000108.8I26 V34 W50 T75 L76 Y89 Y104 V106I26-L36 HydrophobicContact CD1-CD2 3.31Å; V34-L36 HydrophobicContact CG2-CD2 3.97Å; L36-W50 HydrophobicContact CB-CH2 3.66Å; L36-W50 HydrophobicContact CB-CZ3 3.98Å; L36-W50 HydrophobicContact CD1-CZ3 4.2Å; L36-T75 CarbonylContact O-C 3.53Å; L36-T75 WeakPolarHBondContact O-CA 3.32Å; L36-L76 HydrophobicContact CB-CB 4.32Å; L36-L76 HydrophobicContact CD1-CD2 4.25Å; L36-L76 PolarHBondContact N-O 3.4Å; L36-L76 PolarHBondContact O-N 3.1Å; L36-Y89 VanDerWaalsContact CD1-CB 3.48Å; L36-Y89 HydrophobicContact CD1-CD1 4.3Å; L36-Y89 HydrophobicContact CD1-CD2 4.28Å; L36-Y89 HydrophobicContact CD1-CG 3.77Å; L36-Y104 HydrophobicContact CB-CD2 4.12Å; L36-Y104 HydrophobicContact CB-CE2 4.23Å; L36-Y104 HydrophobicContact CD1-CD2 4.13Å; L36-Y104 HydrophobicContact CD1-CG 4.25Å; L36-Y104 HydrophobicContact CD2-CD1 4.38Å; L36-Y104 HydrophobicContact CD2-CD2 4.49Å; L36-Y104 HydrophobicContact CD2-CG 4.13Å; L36-Y104 HydrophobicContact CG-CD2 4.5Å; L36-V106 HydrophobicContact CD1-CG2 4.06Å; L36-V106 HydrophobicContact CD2-CG2 4.17Å
37K91.9Very high91.1Very high84 Ų8454.2 Ų54.237%0.36530%0.304SS..EExtended strand (participates in β ladder)trans-102.7141.2-178.5-66.3-174.8176.4-176.30110.9T75 Y104K37-T75 HydrophobicContact CG-CG2 4.16Å; K37-Y104 PolarHBondContact O-OH 3.04Å
38C92.3Very high90.9Very high0 Ų050.7 Ų50.70%029%0.288CS..  trans-146.145.1177.8-167.70000112.4F15 M21 A40 I48 W50 W74 C91F15-C38 WeakPolarHBondContact CE1-SG 3.32Å; M21-C38 HydrophobicContact CE-CB 4.14Å; C38-A40 PolarHBondContact O-N 3.37Å; C38-I48 HydrophobicContact CB-CD1 3.91Å; C38-W50 HydrophobicContact CB-CH2 3.82Å; C38-W50 HydrophobicContact CB-CZ2 3.77Å; C38-W74 PolarHBondContact N-O 2.79Å; C38-W74 WeakPolarHBondContact O-CZ3 3.19Å; C38-C91 HydrophobicContact CB-CB 3.45Å; C38-C91 VanDerWaalsContact CB-CB 3.45Å; C38-C91 WeakPolarHBondContact CB-SG 3.41Å; C38-C91 WeakPolarHBondContact SG-CB 3.45Å; C38-C91 CovalentContact SG-SG 2.02Å; C38-C91 PolarHBondContact SG-SG 3.02Å
39T92.2Very high90.9Very high29 Ų2948.9 Ų48.918%0.17829%0.289CS..  trans-63.9129.6-175.3540000112F15 T16 W74F15-T39 WeakPolarHBondContact CA-O 3.21Å; T16-T39 PolarHBondContact N-O 2.98Å; T16-T39 VanDerWaalsContact OG1-CB 3.32Å; T16-T39 WeakPolarHBondContact OG1-CB 3.24Å; T16-T39 PolarHBondContact OG1-O 3.39Å; T16-T39 PolarHBondContact OG1-OG1 3.14Å; T39-W74 HydrophobicContact CG2-CB 3.69Å; T39-W74 HydrophobicContact CG2-CG 4.08Å
40A93Very high91.1Very high11 Ų1146.6 Ų46.69%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-137.5160.2176.800000111.7R14 F15 C38 W74 V93 I100R14-A40 CarbonylContact O-C 3.5Å; R14-A40 WeakPolarHBondContact O-CA 3.46Å; R14-A40 WeakPolarHBondContact O-CB 3.48Å; F15-A40 HydrophobicContact CD1-CB 4.17Å; C38-A40 PolarHBondContact O-N 3.37Å; A40-W74 HydrophobicContact CB-CH2 3.74Å; A40-W74 HydrophobicContact CB-CZ3 3.69Å; A40-W74 VanDerWaalsContact O-CZ2 3.28Å; A40-W74 WeakPolarHBondContact O-CZ2 3.43Å; A40-V93 HydrophobicContact CB-CG1 3.86Å; A40-I100 HydrophobicContact CB-CD1 4.2Å
41S93.6Very high91.3Very high63 Ų6345.1 Ų45.144%0.44126%0.263SS..EExtended strand (participates in β ladder)trans-128.5157173.261.60000110.2P13 R14 T16P13-S41 CarbonylContact C-O 3.4Å; P13-S41 VanDerWaalsContact CA-O 3.27Å; P13-S41 WeakPolarHBondContact CA-O 3.22Å; R14-S41 PolarHBondContact N-O 3.38Å; R14-S41 PolarHBondContact O-N 3.48Å; T16-S41 WeakPolarHBondContact CG2-OG 3.28Å
42G92.6Very high91.7Very high22 Ų2245.9 Ų45.923%0.22725%0.254CS..EExtended strand (participates in β ladder)trans-179.5168.2-179.700000110P44 P45G42-P44 CarbonylContact C-O 3.51Å; G42-P44 VanDerWaalsContact C-O 3.24Å; G42-P44 CarbonylContact O-C 3.45Å; G42-P45 WeakPolarHBondContact O-CA 3.46Å
43N92.9Very high91.8Very high52 Ų5248.3 Ų48.328%0.27827%0.265SS..EExtended strand (participates in β ladder)trans-129.5118.8176.6-17820.2000110.1G8 K9 P10 V11G8-N43 VanDerWaalsContact C-ND2 3.28Å; G8-N43 PolarHBondContact O-ND2 3.23Å; K9-N43 PolarHBondContact O-ND2 3.14Å; P10-N43 CarbonylContact C-O 3.53Å; P10-N43 VanDerWaalsContact CA-O 3.25Å; P10-N43 WeakPolarHBondContact CA-O 3.4Å; V11-N43 HydrophobicContact CB-CB 4.02Å; V11-N43 HydrophobicContact CG2-CB 4.17Å; V11-N43 PolarHBondContact N-O 3.22Å; V11-N43 PolarHBondContact O-N 3.31Å
44P93.3Very high91.9Very high37 Ų3750.2 Ų50.224%0.2428%0.278CS..SBendcis-57.4160.1-7.4-22.534.7000112.6G42 N95 R96G42-P44 CarbonylContact C-O 3.51Å; G42-P44 VanDerWaalsContact C-O 3.24Å; G42-P44 CarbonylContact O-C 3.45Å; P44-N95 WeakPolarHBondContact O-CB 3.41Å; P44-N95 PolarHBondContact O-ND2 3.45Å; P44-R96 VanDerWaalsContact CD-NE 3.28Å; P44-R96 HydrophobicContact CG-CG 3.92Å
45P90.6Very high91.9Very high96 Ų9657.2 Ų57.262%0.62331%0.308SS*.PPolyproline II helixtrans-51125.7177.3-27.635.4000111.3G42G42-P45 WeakPolarHBondContact O-CA 3.46Å
46P91.9Very high91.7Very high4 Ų453 Ų533%0.02630%0.304CS..PPolyproline II helixtrans-75153-177.126.3-31.5000113.1P13 W74 V93 S94 N95P13-P46 HydrophobicContact CB-CB 4.14Å; P13-P46 HydrophobicContact CB-CG 4.19Å; P13-P46 HydrophobicContact CG-CB 3.91Å; P13-P46 HydrophobicContact CG-CG 4.42Å; P46-W74 HydrophobicContact CG-CH2 3.99Å; P46-W74 HydrophobicContact CG-CZ2 4.43Å; P46-V93 HydrophobicContact CB-CG1 3.67Å; P46-V93 HydrophobicContact CG-CG1 4.02Å; P46-S94 CarbonylContact C-O 3.54Å; P46-S94 VanDerWaalsContact CA-O 3.22Å; P46-S94 WeakPolarHBondContact CA-O 3.3Å; P46-S94 VanDerWaalsContact CB-O 3.3Å; P46-S94 WeakPolarHBondContact CB-O 3.41Å; P46-N95 HydrophobicContact CB-CB 4.11Å
47D90.1Very high91.3Very high91 Ų9155.6 Ų55.649%0.48732%0.318SS..EExtended strand (participates in β ladder)trans-94.1159.8168.7-69.9-46.5000110.6R73 V93 S94D47-R73 IonicContact OD1-CZ 2.9Å; D47-R73 IonicContact OD1-NH1 3.95Å; D47-R73 PolarHBondContact OD1-NH1 3.47Å; D47-R73 IonicContact OD1-NH2 2.73Å; D47-V93 CarbonylContact O-C 3.54Å; D47-V93 VanDerWaalsContact O-CA 3.24Å; D47-V93 WeakPolarHBondContact O-CA 3.18Å; D47-V93 WeakPolarHBondContact O-CG1 3.44Å; D47-S94 PolarHBondContact N-O 2.67Å; D47-S94 PolarHBondContact O-N 3.32Å
48I90.3Very high90.2Very high18 Ų1858.1 Ų58.19%0.09234%0.34CS..EExtended strand (participates in β ladder)trans-132.1136-179.6176.9173.2000109.5C38 W50 R73 W74 C91 H92 V93C38-I48 HydrophobicContact CB-CD1 3.91Å; I48-W50 HydrophobicContact CD1-CZ2 4.11Å; I48-R73 HydrophobicContact CG2-CG 3.41Å; I48-R73 VanDerWaalsContact CG2-CG 3.41Å; I48-W74 HydrophobicContact CB-CE3 4.13Å; I48-W74 HydrophobicContact CB-CZ3 3.89Å; I48-W74 HydrophobicContact CD1-CE3 3.75Å; I48-W74 HydrophobicContact CD1-CZ3 4.11Å; I48-W74 HydrophobicContact CG2-CD2 4.45Å; I48-W74 HydrophobicContact CG2-CE3 4.01Å; I48-W74 HydrophobicContact CG2-CZ3 4.14Å; I48-C91 HydrophobicContact CD1-CB 3.78Å; I48-C91 HydrophobicContact CG1-CB 4.26Å; I48-H92 CarbonylContact C-O 3.53Å; I48-H92 VanDerWaalsContact CA-O 3.27Å; I48-H92 WeakPolarHBondContact CA-O 3.31Å; I48-V93 HydrophobicContact CB-CG2 4.15Å; I48-V93 HydrophobicContact CD1-CG2 4.17Å; I48-V93 HydrophobicContact CG1-CG2 4.02Å
49V90.8Very high88.6Confident69 Ų6964.5 Ų64.542%0.41837%0.37SS..EExtended strand (participates in β ladder)trans-123131.2172.2178.80000107.9L51 H92V49-L51 HydrophobicContact CG1-CD2 4.17Å; V49-H92 HydrophobicContact CB-CB 4.48Å; V49-H92 PolarHBondContact N-O 2.82Å; V49-H92 PolarHBondContact O-N 2.81Å
50W92.4Very high86.5Confident10 Ų1072.1 Ų72.14%0.03840%0.403CS..EExtended strand (participates in β ladder)trans-93.8132172.2-72.394.9000110.1L36 C38 I48 L57 L76 C91 Y104L36-W50 HydrophobicContact CB-CH2 3.66Å; L36-W50 HydrophobicContact CB-CZ3 3.98Å; L36-W50 HydrophobicContact CD1-CZ3 4.2Å; C38-W50 HydrophobicContact CB-CH2 3.82Å; C38-W50 HydrophobicContact CB-CZ2 3.77Å; I48-W50 HydrophobicContact CD1-CZ2 4.11Å; W50-L57 HydrophobicContact CB-CD1 4.02Å; W50-L57 PolarHBondContact O-N 3.15Å; W50-L76 HydrophobicContact CB-CD2 4.44Å; W50-L76 HydrophobicContact CD2-CB 3.75Å; W50-L76 HydrophobicContact CD2-CD2 4.09Å; W50-L76 HydrophobicContact CD2-CG 4.48Å; W50-L76 HydrophobicContact CE3-CB 4.1Å; W50-L76 HydrophobicContact CE3-CD2 3.95Å; W50-L76 HydrophobicContact CG-CB 4.19Å; W50-L76 HydrophobicContact CG-CD2 4.31Å; W50-L76 HydrophobicContact CH2-CB 4.21Å; W50-L76 HydrophobicContact CZ2-CB 3.89Å; W50-L76 HydrophobicContact CZ3-CB 4.31Å; W50-C91 HydrophobicContact CD2-CB 4.11Å; W50-C91 HydrophobicContact CE3-CB 3.9Å; W50-C91 HydrophobicContact CH2-CB 3.83Å; W50-C91 HydrophobicContact CZ2-CB 4.02Å; W50-C91 HydrophobicContact CZ3-CB 3.76Å; W50-Y104 HydrophobicContact CH2-CD2 4.38Å; W50-Y104 HydrophobicContact CH2-CE2 4.08Å; W50-Y104 HydrophobicContact CZ3-CD2 4.1Å; W50-Y104 HydrophobicContact CZ3-CE2 4.23Å
51L90.9Very high84.1Confident33 Ų3378 Ų7817%0.17343%0.433CS..EExtended strand (participates in β ladder)trans-112.6134.1175.1-53.5170.3000108.4V49 K55 P56 Y89 T90 H92V49-L51 HydrophobicContact CG1-CD2 4.17Å; L51-K55 CarbonylContact C-O 3.56Å; L51-K55 WeakPolarHBondContact CA-O 3.39Å; L51-P56 HydrophobicContact CD2-CB 4.27Å; L51-P56 HydrophobicContact CD2-CG 3.95Å; L51-Y89 CarbonylContact O-C 3.53Å; L51-Y89 VanDerWaalsContact O-CA 3.27Å; L51-Y89 WeakPolarHBondContact O-CA 3.3Å; L51-T90 PolarHBondContact N-O 3.24Å; L51-T90 PolarHBondContact O-N 2.84Å; L51-H92 HydrophobicContact CD1-CB 4.42Å
52K93.2Very high81.7Confident56 Ų5678.6 Ų78.624%0.24345%0.45CS..EExtended strand (participates in β ladder)trans-107.9122.5164-178.5-168.5175.2-156.60108.1S54 K55 L57 E84 K88 Y89K52-S54 PolarHBondContact O-N 3.39Å; K52-K55 PolarHBondContact N-O 2.9Å; K52-K55 PolarHBondContact O-N 3.5Å; K52-L57 HydrophobicContact CB-CD1 4.3Å; K52-L57 HydrophobicContact CB-CD2 3.53Å; K52-L57 HydrophobicContact CB-CG 3.9Å; K52-L57 HydrophobicContact CD-CD2 4.28Å; K52-E84 PolarHBondContact NZ-O 2.84Å; K52-K88 CarbonylContact C-O 3.49Å; K52-K88 WeakPolarHBondContact CA-O 3.42Å; K52-Y89 HydrophobicContact CB-CD1 4.25Å; K52-Y89 HydrophobicContact CB-CE1 4.05Å; K52-Y89 HydrophobicContact CD-CE1 4.14Å; K52-Y89 HydrophobicContact CG-CD1 4.42Å; K52-Y89 HydrophobicContact CG-CE1 3.94Å; K52-Y89 HydrophobicContact CG-CE2 4.43Å
53D92.7Very high78.9Confident82 Ų8280.2 Ų80.244%0.43947%0.466SS..THydrogen-bonded Turntrans49.347.2-179.2-55.6-47.4000111.8K55 G87 K88D53-K55 PolarHBondContact O-N 3.36Å; D53-G87 WeakPolarHBondContact OD1-CA 3.14Å; D53-K88 PolarHBondContact N-O 2.76Å; D53-K88 PolarHBondContact OD1-N 3.11Å
54S91.3Very high76.1Confident106 Ų10682.6 Ų82.674%0.74149%0.493SS*.THydrogen-bonded Turntrans67.73.4-178.2-51.90000116.3K52K52-S54 PolarHBondContact O-N 3.39Å
55K90Very high73.8Confident158 Ų15884.8 Ų84.869%0.68752%0.522SS*.EExtended strand (participates in β ladder)trans-103.5137.9176-63.2-177.9-178.5-178.90111L51 K52 D53 L57L51-K55 CarbonylContact C-O 3.56Å; L51-K55 WeakPolarHBondContact CA-O 3.39Å; K52-K55 PolarHBondContact N-O 2.9Å; K52-K55 PolarHBondContact O-N 3.5Å; D53-K55 PolarHBondContact O-N 3.36Å; K55-L57 PolarHBondContact O-N 3.07Å
56P86.9Confident71.3Confident91 Ų9181.9 Ų81.959%0.59151%0.51SS*.EExtended strand (participates in β ladder)trans-55.3130.6174.1-24.233.9000111.8L51 V58L51-P56 HydrophobicContact CD2-CB 4.27Å; L51-P56 HydrophobicContact CD2-CG 3.95Å; P56-V58 PolarHBondContact O-N 3.22Å
57L83.7Confident69.2Low56 Ų5689.3 Ų89.329%0.29354%0.544SS..PPolyproline II helixtrans-73.7118165.2-71.6176.2000107.5W50 K52 K55 E59 L76 Y89W50-L57 HydrophobicContact CB-CD1 4.02Å; W50-L57 PolarHBondContact O-N 3.15Å; K52-L57 HydrophobicContact CB-CD1 4.3Å; K52-L57 HydrophobicContact CB-CD2 3.53Å; K52-L57 HydrophobicContact CB-CG 3.9Å; K52-L57 HydrophobicContact CD-CD2 4.28Å; K55-L57 PolarHBondContact O-N 3.07Å; L57-E59 PolarHBondContact O-N 2.9Å; L57-L76 HydrophobicContact CD1-CD1 4.06Å; L57-L76 HydrophobicContact CD1-CD2 3.57Å; L57-L76 HydrophobicContact CD1-CG 4.5Å; L57-Y89 HydrophobicContact CD1-CD1 4Å; L57-Y89 HydrophobicContact CD1-CE1 4Å
58V68.9Low66.9Low136 Ų13694.2 Ų94.282%0.82456%0.561SS**  trans-71113.6172-176.80000106.8P56 E60P56-V58 PolarHBondContact O-N 3.22Å; V58-E60 PolarHBondContact O-N 2.95Å
59E59Low65Low135 Ų13597.8 Ų97.863%0.63158%0.576SS**  trans-72.7109.8170.4-67-157.8165.800108.3L57 D61L57-E59 PolarHBondContact O-N 2.9Å; E59-D61 PolarHBondContact O-N 3.07Å
60E48.2Very low63.1Low188 Ų188100 Ų10088%0.87958%0.58SS**SBendtrans-68.582.4157.1-77.1-174.6160.100108V58V58-E60 PolarHBondContact O-N 2.95Å
61D43.1Very low61.2Low134 Ų134107.1 Ų107.172%0.71761%0.611SS**  trans172.7106.1140.7-95.3-22.7000111.1E59E59-D61 PolarHBondContact O-N 3.07Å
62G43.6Very low59.7Low77 Ų77113.3 Ų113.379%0.79464%0.637SS**  trans-59.7157.6162.200000112.6
63G33Very low58.7Low55 Ų55114 Ų11457%0.56764%0.638SS**  trans141.5127.4164.400000114.3K69G63-K69 PolarHBondContact O-NZ 3.2Å
64A35Very low58.4Low103 Ų103111.5 Ų111.585%0.85162%0.622SS**  trans-67.8154.1-169.200000116.4
65G43.6Very low58.3Low82 Ų82108.1 Ų108.185%0.84560%0.597SS**  trans6693.113800000121.2
66G39Very low58.3Low36 Ų36101.8 Ų101.837%0.37157%0.571SS.*  trans179.4148.5160.300000115.4K68 K69 K70G66-K68 VanDerWaalsContact C-N 3.34Å; G66-K68 PolarHBondContact O-N 2.83Å; G66-K69 WeakPolarHBondContact O-CA 3.12Å; G66-K69 WeakPolarHBondContact O-CB 3.18Å; G66-K69 PolarHBondContact O-N 2.85Å; G66-K70 PolarHBondContact O-N 2.78Å
67E47.3Very low58.5Low160 Ų160100.5 Ų100.575%0.74856%0.564SS**Hα-helixtrans-66.1-31.8-177.7-157.4171.8-15900113.3K70 K71E67-K70 PolarHBondContact O-N 3.16Å; E67-K71 PolarHBondContact O-N 2.96Å
68K41.8Very low58.8Low193 Ų19398.6 Ų98.684%0.83955%0.554SS**Hα-helixtrans-66.5-34.4168.6-72.3-178.8179.7174.60112.3G66 K71 K72G66-K68 VanDerWaalsContact C-N 3.34Å; G66-K68 PolarHBondContact O-N 2.83Å; K68-K71 PolarHBondContact O-N 2.93Å; K68-K72 PolarHBondContact O-N 3.07Å; K68-K72 VanDerWaalsContact O-N 3.11Å
69K51.2Low59.8Low93 Ų9399.7 Ų99.740%0.40455%0.547SS..Hα-helixtrans-69.7-37.6174.5-140.4-178.2-169.5-169.30111G63 G66 K71 K72 R73G63-K69 PolarHBondContact O-NZ 3.2Å; G66-K69 WeakPolarHBondContact O-CA 3.12Å; G66-K69 WeakPolarHBondContact O-CB 3.18Å; G66-K69 PolarHBondContact O-N 2.85Å; K69-K71 PolarHBondContact O-N 2.96Å; K69-K72 PolarHBondContact O-N 3.41Å; K69-K72 VanDerWaalsContact O-N 3.17Å; K69-R73 WeakPolarHBondContact O-CB 3.27Å; K69-R73 PolarHBondContact O-N 3.04Å
70K50.9Low61.1Low116 Ų11698.6 Ų98.650%0.50455%0.546SS..Hα-helixtrans-59-41.7172.3-67.9-177.1-179.3177.90112.2G66 E67 W74G66-K70 PolarHBondContact O-N 2.78Å; E67-K70 PolarHBondContact O-N 3.16Å; K70-W74 PolarHBondContact O-NE1 2.86Å
71K52.3Low63.1Low160 Ų16089.7 Ų89.770%0.69650%0.504SS*.Hα-helixtrans-66.9-38.9173.7-73.7-176.1-179176.20112.9E67 K68 K69 R73 W74E67-K71 PolarHBondContact O-N 2.96Å; K68-K71 PolarHBondContact O-N 2.93Å; K69-K71 PolarHBondContact O-N 2.96Å; K71-R73 VanDerWaalsContact C-N 3.34Å; K71-W74 PolarHBondContact O-N 3.33Å
72K59.2Low65.3Low162 Ų16285.5 Ų85.570%0.70448%0.484SS*.Hα-helixtrans-63.8-38.1176.7-160.3178.9178.5-169.60111.6K68 K69 W74 T75K68-K72 PolarHBondContact O-N 3.07Å; K68-K72 VanDerWaalsContact O-N 3.11Å; K69-K72 PolarHBondContact O-N 3.41Å; K69-K72 VanDerWaalsContact O-N 3.17Å; K72-W74 VanDerWaalsContact C-N 3.31Å; K72-W74 PolarHBondContact O-N 2.87Å; K72-T75 PolarHBondContact O-N 2.84Å; K72-T75 VanDerWaalsContact O-N 3.07Å; K72-T75 VanDerWaalsContact O-O 3.09Å
73R72.4Confident67.6Low72 Ų7285.3 Ų85.327%0.27247%0.469SS..Hα-helixtrans-61.7-28.9178.3-178.3176.658.4161.36114.6D47 I48 K69 K71 T75D47-R73 IonicContact OD1-CZ 2.9Å; D47-R73 IonicContact OD1-NH1 3.95Å; D47-R73 PolarHBondContact OD1-NH1 3.47Å; D47-R73 IonicContact OD1-NH2 2.73Å; I48-R73 HydrophobicContact CG2-CG 3.41Å; I48-R73 VanDerWaalsContact CG2-CG 3.41Å; K69-R73 WeakPolarHBondContact O-CB 3.27Å; K69-R73 PolarHBondContact O-N 3.04Å; K71-R73 VanDerWaalsContact C-N 3.34Å; R73-T75 PolarHBondContact O-N 3.34Å
74W86.7Confident70.3Confident29 Ų2990.3 Ų90.311%0.1148%0.477CS..THydrogen-bonded Turntrans-78.1-3.3175.7-63.7112.5000114.2C38 T39 A40 P46 I48 K70 K71 K72 V93C38-W74 PolarHBondContact N-O 2.79Å; C38-W74 WeakPolarHBondContact O-CZ3 3.19Å; T39-W74 HydrophobicContact CG2-CB 3.69Å; T39-W74 HydrophobicContact CG2-CG 4.08Å; A40-W74 HydrophobicContact CB-CH2 3.74Å; A40-W74 HydrophobicContact CB-CZ3 3.69Å; A40-W74 VanDerWaalsContact O-CZ2 3.28Å; A40-W74 WeakPolarHBondContact O-CZ2 3.43Å; P46-W74 HydrophobicContact CG-CH2 3.99Å; P46-W74 HydrophobicContact CG-CZ2 4.43Å; I48-W74 HydrophobicContact CB-CE3 4.13Å; I48-W74 HydrophobicContact CB-CZ3 3.89Å; I48-W74 HydrophobicContact CD1-CE3 3.75Å; I48-W74 HydrophobicContact CD1-CZ3 4.11Å; I48-W74 HydrophobicContact CG2-CD2 4.45Å; I48-W74 HydrophobicContact CG2-CE3 4.01Å; I48-W74 HydrophobicContact CG2-CZ3 4.14Å; K70-W74 PolarHBondContact O-NE1 2.86Å; K71-W74 PolarHBondContact O-N 3.33Å; K72-W74 VanDerWaalsContact C-N 3.31Å; K72-W74 PolarHBondContact O-N 2.87Å; W74-V93 HydrophobicContact CH2-CG1 3.86Å; W74-V93 HydrophobicContact CZ3-CG1 3.86Å; W74-V93 HydrophobicContact CZ3-CG2 3.84Å
75T89.7Confident73Confident35 Ų3588 Ų8822%0.21545%0.449CS..EExtended strand (participates in β ladder)trans-129.1110.3-176.8-54.60000111.7R35 L36 K37 K72 R73R35-T75 HydrophobicContact CB-CG2 3.86Å; R35-T75 HydrophobicContact CG-CG2 4.29Å; L36-T75 CarbonylContact O-C 3.53Å; L36-T75 WeakPolarHBondContact O-CA 3.32Å; K37-T75 HydrophobicContact CG-CG2 4.16Å; K72-T75 PolarHBondContact O-N 2.84Å; K72-T75 VanDerWaalsContact O-N 3.07Å; K72-T75 VanDerWaalsContact O-O 3.09Å; R73-T75 PolarHBondContact O-N 3.34Å
76L90.1Very high75.4Confident25 Ų2586.1 Ų86.113%0.13142%0.422CS..EExtended strand (participates in β ladder)trans-79123.6169.8-179.864.3000109.6R35 L36 W50 L57 L78 Y89R35-L76 CarbonylContact C-O 3.54Å; R35-L76 WeakPolarHBondContact CA-O 3.5Å; L36-L76 HydrophobicContact CB-CB 4.32Å; L36-L76 HydrophobicContact CD1-CD2 4.25Å; L36-L76 PolarHBondContact N-O 3.4Å; L36-L76 PolarHBondContact O-N 3.1Å; W50-L76 HydrophobicContact CB-CD2 4.44Å; W50-L76 HydrophobicContact CD2-CB 3.75Å; W50-L76 HydrophobicContact CD2-CD2 4.09Å; W50-L76 HydrophobicContact CD2-CG 4.48Å; W50-L76 HydrophobicContact CE3-CB 4.1Å; W50-L76 HydrophobicContact CE3-CD2 3.95Å; W50-L76 HydrophobicContact CG-CB 4.19Å; W50-L76 HydrophobicContact CG-CD2 4.31Å; W50-L76 HydrophobicContact CH2-CB 4.21Å; W50-L76 HydrophobicContact CZ2-CB 3.89Å; W50-L76 HydrophobicContact CZ3-CB 4.31Å; L57-L76 HydrophobicContact CD1-CD1 4.06Å; L57-L76 HydrophobicContact CD1-CD2 3.57Å; L57-L76 HydrophobicContact CD1-CG 4.5Å; L76-L78 HydrophobicContact CD1-CD2 4.42Å; L76-L78 HydrophobicContact CD2-CD2 4.32Å; L76-L78 HydrophobicContact CG-CD2 4.22Å; L76-Y89 HydrophobicContact CD2-CD1 3.38Å; L76-Y89 HydrophobicContact CD2-CE1 3.86Å; L76-Y89 HydrophobicContact CD2-CG 4.31Å
77S90.7Very high78.1Confident63 Ų6385.1 Ų85.144%0.44141%0.412SS..EExtended strand (participates in β ladder)trans-113.2114.5179.6-59.40000110.1V34V34-S77 WeakPolarHBondContact O-CA 3.44Å
78L89.7Confident80.5Confident17 Ų1783.7 Ų83.79%0.08940%0.404CS..EExtended strand (participates in β ladder)trans-101.7124.8173-51.7172.9000107.7S33 V34 L76 L81 Y89S33-L78 CarbonylContact C-O 3.59Å; S33-L78 WeakPolarHBondContact CA-O 3.13Å; S33-L78 WeakPolarHBondContact CB-O 3.34Å; V34-L78 HydrophobicContact CG1-CB 3.81Å; V34-L78 HydrophobicContact CG1-CD1 3.85Å; V34-L78 HydrophobicContact CG1-CG 4.15Å; V34-L78 PolarHBondContact N-O 2.82Å; V34-L78 PolarHBondContact O-N 3.12Å; L76-L78 HydrophobicContact CD1-CD2 4.42Å; L76-L78 HydrophobicContact CD2-CD2 4.32Å; L76-L78 HydrophobicContact CG-CD2 4.22Å; L78-L81 HydrophobicContact CB-CD2 3.59Å; L78-L81 HydrophobicContact CD1-CD2 4.15Å; L78-Y89 HydrophobicContact CD1-CE1 3.86Å; L78-Y89 HydrophobicContact CD1-CE2 4.07Å; L78-Y89 HydrophobicContact CD2-CE1 4.16Å
79K89.4Confident83Confident158 Ų15874.6 Ų74.669%0.68736%0.364SS*.  trans-116.4157.2179.1-64.3-178.5-178.6178.60109.7S33 L81S33-K79 WeakPolarHBondContact OG-CA 3.46Å; K79-L81 VanDerWaalsContact C-N 3.33Å; K79-L81 PolarHBondContact O-N 2.7Å
80N86.1Confident85.1Confident113 Ų11371.1 Ų71.160%0.60435%0.351SS*.SBendtrans47.455.1179.1-165.327.4000112.2S32 T82S32-N80 PolarHBondContact O-N 2.93Å; S32-N80 VanDerWaalsContact O-N 3.16Å; N80-T82 PolarHBondContact O-N 3.05Å
81L90.1Very high87.2Confident0 Ų065.6 Ų65.60%033%0.327CS..  trans-56.2129.5-171.4-73.5173.1000112R28 V30 G31 S32 V34 L78 K79 H85 V108R28-L81 HydrophobicContact CB-CD1 3.58Å; R28-L81 HydrophobicContact CG-CD1 4.2Å; V30-L81 CarbonylContact C-O 3.57Å; V30-L81 VanDerWaalsContact CA-O 3.32Å; V30-L81 WeakPolarHBondContact CA-O 3.14Å; V30-L81 WeakPolarHBondContact CG1-O 3.5Å; G31-L81 PolarHBondContact N-O 3.27Å; S32-L81 WeakPolarHBondContact O-CG 3.37Å; S32-L81 PolarHBondContact O-N 2.89Å; V34-L81 HydrophobicContact CB-CD1 4.44Å; V34-L81 HydrophobicContact CG1-CD1 4.06Å; V34-L81 HydrophobicContact CG1-CD2 4.23Å; L78-L81 HydrophobicContact CB-CD2 3.59Å; L78-L81 HydrophobicContact CD1-CD2 4.15Å; K79-L81 VanDerWaalsContact C-N 3.33Å; K79-L81 PolarHBondContact O-N 2.7Å; L81-H85 HydrophobicContact CD2-CB 3.64Å; L81-V108 HydrophobicContact CB-CG1 3.93Å; L81-V108 HydrophobicContact CB-CG2 4.07Å; L81-V108 HydrophobicContact CD1-CG2 4.26Å; L81-V108 HydrophobicContact CD2-CG2 4.16Å; L81-V108 HydrophobicContact CG-CG2 4.41Å
82T90.1Very high89.2Confident47 Ų4760.3 Ų60.329%0.28830%0.304SS..  trans-109.7162.8171.164.80000109.7N80 E84 H85N80-T82 PolarHBondContact O-N 3.05Å; T82-E84 PolarHBondContact O-N 3.04Å; T82-E84 VanDerWaalsContact O-N 3.09Å; T82-H85 PolarHBondContact N-ND1 2.85Å; T82-H85 WeakPolarHBondContact O-CB 3.47Å; T82-H85 PolarHBondContact O-N 3.26Å; T82-H85 PolarHBondContact OG1-CE1 3.44Å; T82-H85 PolarHBondContact OG1-ND1 2.95Å
83P90.6Very high90.8Very high73 Ų7352.6 Ų52.647%0.47427%0.271SS..G310 helixtrans-51.7-33.4176.6-29.337.1000113.8V30 H85 S86V30-P83 HydrophobicContact CG2-CG 4.44Å; P83-H85 PolarHBondContact O-N 3.11Å; P83-S86 VanDerWaalsContact O-CB 3.27Å; P83-S86 WeakPolarHBondContact O-CB 3.39Å; P83-S86 PolarHBondContact O-N 2.86Å; P83-S86 PolarHBondContact O-OG 2.73Å
84E90.4Very high91.9Very high160 Ų16051.1 Ų51.175%0.74827%0.271SS*.G310 helixtrans-63.1-22.9177.3-61.4179.6177.400113.9K52 T82 S86K52-E84 PolarHBondContact NZ-O 2.84Å; T82-E84 PolarHBondContact O-N 3.04Å; T82-E84 VanDerWaalsContact O-N 3.09Å; E84-S86 PolarHBondContact O-N 2.94Å
85H92Very high92.3Very high54 Ų5451 Ų5125%0.2527%0.273CS..G310 helixtrans-74.8-8.1175.7-69.197.5000112.9L81 T82 P83 Y89 V108L81-H85 HydrophobicContact CD2-CB 3.64Å; T82-H85 PolarHBondContact N-ND1 2.85Å; T82-H85 WeakPolarHBondContact O-CB 3.47Å; T82-H85 PolarHBondContact O-N 3.26Å; T82-H85 PolarHBondContact OG1-CE1 3.44Å; T82-H85 PolarHBondContact OG1-ND1 2.95Å; P83-H85 PolarHBondContact O-N 3.11Å; H85-Y89 VanDerWaalsContact O-CE2 3.25Å; H85-Y89 WeakPolarHBondContact O-CE2 3.04Å; H85-Y89 PolarHBondContact O-OH 2.9Å; H85-V108 HydrophobicContact CB-CG2 4.05Å
86S94.5Very high92.6Very high42 Ų4257.2 Ų57.229%0.29429%0.292SS..  trans-64.4142.2171.8-56.20000110.5P83 E84 V106 V108P83-S86 VanDerWaalsContact O-CB 3.27Å; P83-S86 WeakPolarHBondContact O-CB 3.39Å; P83-S86 PolarHBondContact O-N 2.86Å; P83-S86 PolarHBondContact O-OG 2.73Å; E84-S86 PolarHBondContact O-N 2.94Å; S86-V106 WeakPolarHBondContact CA-O 3.41Å; S86-V108 WeakPolarHBondContact OG-CB 3.46Å; S86-V108 PolarHBondContact OG-N 2.85Å
87G95Very high92.7Very high16 Ų1657.8 Ų57.817%0.16530%0.301CS..EExtended strand (participates in β ladder)trans154.5-176.9-179.100000113.9D53 V106D53-G87 WeakPolarHBondContact OD1-CA 3.14Å; G87-V106 PolarHBondContact N-O 3.11Å; G87-V106 PolarHBondContact O-N 3.2Å
88K97Very high92.9Very high129 Ų12956.3 Ų56.356%0.56130%0.295SS*.EExtended strand (participates in β ladder)trans-96115.6176.2-68.2177.7-175.9172.90109.9K52 D53 T103 Y104K52-K88 CarbonylContact C-O 3.49Å; K52-K88 WeakPolarHBondContact CA-O 3.42Å; D53-K88 PolarHBondContact N-O 2.76Å; D53-K88 PolarHBondContact OD1-N 3.11Å; K88-T103 HydrophobicContact CB-CG2 4.01Å; K88-T103 HydrophobicContact CG-CG2 4.44Å; K88-Y104 CarbonylContact C-O 3.54Å; K88-Y104 WeakPolarHBondContact CA-O 3.31Å
89Y95.4Very high93.2Very high2 Ų260.1 Ų60.11%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-101.5109.3177.1-67.9-95.6000110L36 L51 K52 L57 L76 L78 H85 T103 Y104 V106L36-Y89 VanDerWaalsContact CD1-CB 3.48Å; L36-Y89 HydrophobicContact CD1-CD1 4.3Å; L36-Y89 HydrophobicContact CD1-CD2 4.28Å; L36-Y89 HydrophobicContact CD1-CG 3.77Å; L51-Y89 CarbonylContact O-C 3.53Å; L51-Y89 VanDerWaalsContact O-CA 3.27Å; L51-Y89 WeakPolarHBondContact O-CA 3.3Å; K52-Y89 HydrophobicContact CB-CD1 4.25Å; K52-Y89 HydrophobicContact CB-CE1 4.05Å; K52-Y89 HydrophobicContact CD-CE1 4.14Å; K52-Y89 HydrophobicContact CG-CD1 4.42Å; K52-Y89 HydrophobicContact CG-CE1 3.94Å; K52-Y89 HydrophobicContact CG-CE2 4.43Å; L57-Y89 HydrophobicContact CD1-CD1 4Å; L57-Y89 HydrophobicContact CD1-CE1 4Å; L76-Y89 HydrophobicContact CD2-CD1 3.38Å; L76-Y89 HydrophobicContact CD2-CE1 3.86Å; L76-Y89 HydrophobicContact CD2-CG 4.31Å; L78-Y89 HydrophobicContact CD1-CE1 3.86Å; L78-Y89 HydrophobicContact CD1-CE2 4.07Å; L78-Y89 HydrophobicContact CD2-CE1 4.16Å; H85-Y89 VanDerWaalsContact O-CE2 3.25Å; H85-Y89 WeakPolarHBondContact O-CE2 3.04Å; H85-Y89 PolarHBondContact O-OH 2.9Å; Y89-T103 CarbonylContact O-C 3.53Å; Y89-T103 WeakPolarHBondContact O-CA 3.49Å; Y89-Y104 PolarHBondContact N-O 2.85Å; Y89-Y104 PolarHBondContact O-N 2.62Å; Y89-V106 HydrophobicContact CD2-CB 3.86Å; Y89-V106 HydrophobicContact CD2-CG2 3.55Å; Y89-V106 HydrophobicContact CE2-CB 3.75Å; Y89-V106 HydrophobicContact CE2-CG1 4.44Å; Y89-V106 HydrophobicContact CE2-CG2 3.86Å; Y89-V106 HydrophobicContact CG-CG2 4.44Å
90T95.1Very high93.6Very high20 Ų2053.7 Ų53.712%0.12329%0.286CS..EExtended strand (participates in β ladder)trans-105.3121.2179.6-58.40000110L51 N101 A102 T103L51-T90 PolarHBondContact N-O 3.24Å; L51-T90 PolarHBondContact O-N 2.84Å; T90-N101 HydrophobicContact CG2-CB 4.06Å; T90-A102 CarbonylContact C-O 3.58Å; T90-A102 VanDerWaalsContact CA-O 3.29Å; T90-A102 WeakPolarHBondContact CA-O 3.37Å; T90-T103 WeakPolarHBondContact OG1-CG2 3.43Å; T90-T103 PolarHBondContact OG1-OG1 2.9Å
91C94Very high94Very high0 Ų052.8 Ų52.80%028%0.281CS..EExtended strand (participates in β ladder)trans-83.4124.8163.653.40000109.1C38 I48 W50 N101 A102C38-C91 HydrophobicContact CB-CB 3.45Å; C38-C91 VanDerWaalsContact CB-CB 3.45Å; C38-C91 WeakPolarHBondContact CB-SG 3.41Å; C38-C91 WeakPolarHBondContact SG-CB 3.45Å; C38-C91 CovalentContact SG-SG 2.02Å; C38-C91 PolarHBondContact SG-SG 3.02Å; I48-C91 HydrophobicContact CD1-CB 3.78Å; I48-C91 HydrophobicContact CG1-CB 4.26Å; W50-C91 HydrophobicContact CD2-CB 4.11Å; W50-C91 HydrophobicContact CE3-CB 3.9Å; W50-C91 HydrophobicContact CH2-CB 3.83Å; W50-C91 HydrophobicContact CZ2-CB 4.02Å; W50-C91 HydrophobicContact CZ3-CB 3.76Å; C91-N101 CarbonylContact O-C 3.59Å; C91-N101 WeakPolarHBondContact O-CA 3.44Å; C91-N101 WeakPolarHBondContact O-CB 3.17Å; C91-A102 PolarHBondContact N-O 3.46Å; C91-A102 PolarHBondContact O-N 2.96Å; C91-A102 PolarHBondContact SG-O 2.87Å; C91-A102 VanDerWaalsContact SG-O 3.34Å
92H94Very high94.2Very high50 Ų5053.1 Ų53.123%0.23128%0.284CS..EExtended strand (participates in β ladder)trans-108.5117.5175.8-178.9121.5000107.7I48 V49 L51 Q99I48-H92 CarbonylContact C-O 3.53Å; I48-H92 VanDerWaalsContact CA-O 3.27Å; I48-H92 WeakPolarHBondContact CA-O 3.31Å; V49-H92 HydrophobicContact CB-CB 4.48Å; V49-H92 PolarHBondContact N-O 2.82Å; V49-H92 PolarHBondContact O-N 2.81Å; L51-H92 HydrophobicContact CD1-CB 4.42Å; H92-Q99 PolarHBondContact CE1-NE2 2.83Å; H92-Q99 PolarHBondContact CE1-OE1 2.9Å; H92-Q99 PolarHBondContact ND1-NE2 2.9Å; H92-Q99 VanDerWaalsContact ND1-NE2 3.16Å; H92-Q99 PolarHBondContact NE2-NE2 3.07Å; H92-Q99 PolarHBondContact NE2-OE1 2.86Å
93V94.6Very high94.5Very high0 Ų053.7 Ų53.70%029%0.287CS..EExtended strand (participates in β ladder)trans-120.5126.4-174.2-178.30000109.7P13 F15 A40 P46 D47 I48 W74 Q99 I100P13-V93 HydrophobicContact CB-CG1 3.99Å; F15-V93 HydrophobicContact CE1-CG2 4.38Å; A40-V93 HydrophobicContact CB-CG1 3.86Å; P46-V93 HydrophobicContact CB-CG1 3.67Å; P46-V93 HydrophobicContact CG-CG1 4.02Å; D47-V93 CarbonylContact O-C 3.54Å; D47-V93 VanDerWaalsContact O-CA 3.24Å; D47-V93 WeakPolarHBondContact O-CA 3.18Å; D47-V93 WeakPolarHBondContact O-CG1 3.44Å; I48-V93 HydrophobicContact CB-CG2 4.15Å; I48-V93 HydrophobicContact CD1-CG2 4.17Å; I48-V93 HydrophobicContact CG1-CG2 4.02Å; W74-V93 HydrophobicContact CH2-CG1 3.86Å; W74-V93 HydrophobicContact CZ3-CG1 3.86Å; W74-V93 HydrophobicContact CZ3-CG2 3.84Å; V93-Q99 CarbonylContact O-C 3.24Å; V93-Q99 VanDerWaalsContact O-CA 3.25Å; V93-Q99 WeakPolarHBondContact O-CA 3.27Å; V93-Q99 VanDerWaalsContact O-CG 3.3Å; V93-Q99 WeakPolarHBondContact O-CG 3.43Å; V93-I100 HydrophobicContact CB-CG1 3.83Å; V93-I100 HydrophobicContact CG1-CG1 4.34Å; V93-I100 PolarHBondContact N-O 2.84Å; V93-I100 PolarHBondContact O-N 2.88Å
94S94.6Very high94.8Very high40 Ų4050.5 Ų50.528%0.2827%0.265SS..EExtended strand (participates in β ladder)trans-143.6149.4-172.855.40000113.4P46 D47 G98P46-S94 CarbonylContact C-O 3.54Å; P46-S94 VanDerWaalsContact CA-O 3.22Å; P46-S94 WeakPolarHBondContact CA-O 3.3Å; P46-S94 VanDerWaalsContact CB-O 3.3Å; P46-S94 WeakPolarHBondContact CB-O 3.41Å; D47-S94 PolarHBondContact N-O 2.67Å; D47-S94 PolarHBondContact O-N 3.32Å; S94-G98 WeakPolarHBondContact CA-O 3.41Å
95N94.8Very high95.1Very high26 Ų2647.6 Ų47.614%0.13925%0.251CS..EExtended strand (participates in β ladder)trans-142.4179.416370.15.7000109.3V11 P13 P44 P46 A97 G98V11-N95 PolarHBondContact O-ND2 2.89Å; P13-N95 WeakPolarHBondContact CD-OD1 3.36Å; P13-N95 HydrophobicContact CG-CB 4.42Å; P44-N95 WeakPolarHBondContact O-CB 3.41Å; P44-N95 PolarHBondContact O-ND2 3.45Å; P46-N95 HydrophobicContact CB-CB 4.11Å; N95-A97 PolarHBondContact O-N 3Å; N95-A97 WeakPolarHBondContact OD1-CA 3.32Å; N95-A97 WeakPolarHBondContact OD1-CB 3.23Å; N95-A97 PolarHBondContact OD1-N 2.84Å; N95-G98 PolarHBondContact N-O 2.87Å; N95-G98 PolarHBondContact O-N 3.04Å; N95-G98 PolarHBondContact OD1-N 3.48Å; N95-G98 VanDerWaalsContact OD1-N 3.13Å; N95-G98 PolarHBondContact OD1-O 2.79Å
96R95.4Very high95.3Very high166 Ų16645.1 Ų45.163%0.62624%0.239SC*.THydrogen-bonded Turntrans-59.7-14.5177.868.8176.9-177.8-168.8-1.9115P44P44-R96 VanDerWaalsContact CD-NE 3.28Å; P44-R96 HydrophobicContact CG-CG 3.92Å
97A94.1Very high95.3Very high38 Ų3846.5 Ų46.531%0.31424%0.241SC..THydrogen-bonded Turntrans-96.9-6.7179.500000113.2P10 N95P10-A97 HydrophobicContact CB-CB 3.84Å; N95-A97 PolarHBondContact O-N 3Å; N95-A97 WeakPolarHBondContact OD1-CA 3.32Å; N95-A97 WeakPolarHBondContact OD1-CB 3.23Å; N95-A97 PolarHBondContact OD1-N 2.84Å
98G94.8Very high95.2Very high31 Ų3146.3 Ų46.332%0.3224%0.237SC..EExtended strand (participates in β ladder)trans146.6-166.6174.900000114.2P13 S94 N95P13-G98 WeakPolarHBondContact CD-O 3.23Å; P13-G98 WeakPolarHBondContact CG-O 3.4Å; S94-G98 WeakPolarHBondContact CA-O 3.41Å; N95-G98 PolarHBondContact N-O 2.87Å; N95-G98 PolarHBondContact O-N 3.04Å; N95-G98 PolarHBondContact OD1-N 3.48Å; N95-G98 VanDerWaalsContact OD1-N 3.13Å; N95-G98 PolarHBondContact OD1-O 2.79Å
99Q96Very high94.8Very high97 Ų9742.3 Ų42.345%0.45322%0.221SC..EExtended strand (participates in β ladder)trans-142.6150.6-171.2-174.6-163.8-39.800112H92 V93H92-Q99 PolarHBondContact CE1-NE2 2.83Å; H92-Q99 PolarHBondContact CE1-OE1 2.9Å; H92-Q99 PolarHBondContact ND1-NE2 2.9Å; H92-Q99 VanDerWaalsContact ND1-NE2 3.16Å; H92-Q99 PolarHBondContact NE2-NE2 3.07Å; H92-Q99 PolarHBondContact NE2-OE1 2.86Å; V93-Q99 CarbonylContact O-C 3.24Å; V93-Q99 VanDerWaalsContact O-CA 3.25Å; V93-Q99 WeakPolarHBondContact O-CA 3.27Å; V93-Q99 VanDerWaalsContact O-CG 3.3Å; V93-Q99 WeakPolarHBondContact O-CG 3.43Å
100I96Very high94.1Very high23 Ų2349.2 Ų49.212%0.11825%0.253CS..EExtended strand (participates in β ladder)trans-138.3159.5168.764.1-178.6000110.2P13 F15 A40 V93P13-I100 HydrophobicContact CB-CD1 3.9Å; P13-I100 HydrophobicContact CB-CG1 4Å; P13-I100 WeakPolarHBondContact O-CG2 3.43Å; F15-I100 HydrophobicContact CD1-CD1 3.72Å; F15-I100 HydrophobicContact CD2-CD1 4.07Å; F15-I100 HydrophobicContact CE1-CD1 3.51Å; F15-I100 HydrophobicContact CE1-CG1 3.92Å; F15-I100 HydrophobicContact CE2-CB 4.4Å; F15-I100 HydrophobicContact CE2-CD1 3.92Å; F15-I100 HydrophobicContact CE2-CG1 4.29Å; F15-I100 HydrophobicContact CG-CD1 3.97Å; F15-I100 HydrophobicContact CZ-CB 4.2Å; F15-I100 HydrophobicContact CZ-CD1 3.63Å; F15-I100 HydrophobicContact CZ-CG1 3.75Å; A40-I100 HydrophobicContact CB-CD1 4.2Å; V93-I100 HydrophobicContact CB-CG1 3.83Å; V93-I100 HydrophobicContact CG1-CG1 4.34Å; V93-I100 PolarHBondContact N-O 2.84Å; V93-I100 PolarHBondContact O-N 2.88Å
101N95.2Very high93Very high95 Ų9555 Ų5551%0.50827%0.273SS..EExtended strand (participates in β ladder)trans-142.7160.8174.5624.7000112.6T90 C91T90-N101 HydrophobicContact CG2-CB 4.06Å; C91-N101 CarbonylContact O-C 3.59Å; C91-N101 WeakPolarHBondContact O-CA 3.44Å; C91-N101 WeakPolarHBondContact O-CB 3.17Å
102A95Very high92Very high7 Ų760.5 Ų60.56%0.05831%0.306CS..EExtended strand (participates in β ladder)trans-148.2141.7168.900000110.6F15 M21 T90 C91F15-A102 HydrophobicContact CE2-CB 4.17Å; F15-A102 HydrophobicContact CZ-CB 3.84Å; M21-A102 HydrophobicContact CE-CB 3.47Å; M21-A102 VanDerWaalsContact CE-CB 3.47Å; T90-A102 CarbonylContact C-O 3.58Å; T90-A102 VanDerWaalsContact CA-O 3.29Å; T90-A102 WeakPolarHBondContact CA-O 3.37Å; C91-A102 PolarHBondContact N-O 3.46Å; C91-A102 PolarHBondContact O-N 2.96Å; C91-A102 PolarHBondContact SG-O 2.87Å; C91-A102 VanDerWaalsContact SG-O 3.34Å
103T95.8Very high91.3Very high58 Ų5862.1 Ų62.136%0.35632%0.316SS..EExtended strand (participates in β ladder)trans-116.8131.6-174.4-56.40000111.4R24 K88 Y89 T90R24-T103 WeakPolarHBondContact CD-O 3.45Å; K88-T103 HydrophobicContact CB-CG2 4.01Å; K88-T103 HydrophobicContact CG-CG2 4.44Å; Y89-T103 CarbonylContact O-C 3.53Å; Y89-T103 WeakPolarHBondContact O-CA 3.49Å; T90-T103 WeakPolarHBondContact OG1-CG2 3.43Å; T90-T103 PolarHBondContact OG1-OG1 2.9Å
104Y96.8Very high90.9Very high6 Ų664.9 Ų64.92%0.02434%0.335CS..EExtended strand (participates in β ladder)trans-106.3133.9170.2-61.8-82.3000109.6M21 R24 I26 L36 K37 W50 K88 Y89M21-Y104 VanDerWaalsContact CB-OH 3.26Å; M21-Y104 WeakPolarHBondContact CB-OH 2.9Å; M21-Y104 VanDerWaalsContact CG-OH 3.25Å; M21-Y104 WeakPolarHBondContact CG-OH 3.26Å; R24-Y104 CarbonylContact O-C 3.55Å; R24-Y104 VanDerWaalsContact O-CA 3.3Å; R24-Y104 WeakPolarHBondContact O-CA 3.24Å; I26-Y104 HydrophobicContact CD1-CD1 3.88Å; L36-Y104 HydrophobicContact CB-CD2 4.12Å; L36-Y104 HydrophobicContact CB-CE2 4.23Å; L36-Y104 HydrophobicContact CD1-CD2 4.13Å; L36-Y104 HydrophobicContact CD1-CG 4.25Å; L36-Y104 HydrophobicContact CD2-CD1 4.38Å; L36-Y104 HydrophobicContact CD2-CD2 4.49Å; L36-Y104 HydrophobicContact CD2-CG 4.13Å; L36-Y104 HydrophobicContact CG-CD2 4.5Å; K37-Y104 PolarHBondContact O-OH 3.04Å; W50-Y104 HydrophobicContact CH2-CD2 4.38Å; W50-Y104 HydrophobicContact CH2-CE2 4.08Å; W50-Y104 HydrophobicContact CZ3-CD2 4.1Å; W50-Y104 HydrophobicContact CZ3-CE2 4.23Å; K88-Y104 CarbonylContact C-O 3.54Å; K88-Y104 WeakPolarHBondContact CA-O 3.31Å; Y89-Y104 PolarHBondContact N-O 2.85Å; Y89-Y104 PolarHBondContact O-N 2.62Å
105K96.9Very high90.5Very high100 Ų10068.3 Ų68.344%0.43535%0.345SS..EExtended strand (participates in β ladder)trans-92.1112.2165.2-174.9-172.1176.7-152.10107.7R24 V25 I26 E107R24-K105 PolarHBondContact O-N 3.34Å; V25-K105 WeakPolarHBondContact CA-O 3.35Å; V25-K105 HydrophobicContact CG1-CD 4.43Å; V25-K105 HydrophobicContact CG2-CB 4.36Å; I26-K105 PolarHBondContact N-O 2.82Å; K105-E107 IonicContact NZ-OE2 3.86Å; K105-E107 PolarHBondContact NZ-OE2 2.92Å
106V95.7Very high90.4Very high2 Ų267.1 Ų67.11%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-100.2129.5173.7178.30000108.5I26 L36 S86 G87 Y89 V108I26-V106 WeakPolarHBondContact O-CA 3.23Å; L36-V106 HydrophobicContact CD1-CG2 4.06Å; L36-V106 HydrophobicContact CD2-CG2 4.17Å; S86-V106 WeakPolarHBondContact CA-O 3.41Å; G87-V106 PolarHBondContact N-O 3.11Å; G87-V106 PolarHBondContact O-N 3.2Å; Y89-V106 HydrophobicContact CD2-CB 3.86Å; Y89-V106 HydrophobicContact CD2-CG2 3.55Å; Y89-V106 HydrophobicContact CE2-CB 3.75Å; Y89-V106 HydrophobicContact CE2-CG1 4.44Å; Y89-V106 HydrophobicContact CE2-CG2 3.86Å; Y89-V106 HydrophobicContact CG-CG2 4.44Å; V106-V108 HydrophobicContact CG1-CG2 4.39Å
107E94.9Very high90.3Very high70 Ų7062.9 Ų62.933%0.32733%0.331SS..EExtended strand (participates in β ladder)trans-126.2114.6180-171.7161.417100108.9I26 E27 R28 K105 I109I26-E107 PolarHBondContact O-N 2.69Å; E27-E107 WeakPolarHBondContact CA-O 3.31Å; E27-E107 HydrophobicContact CG-CB 4.18Å; R28-E107 PolarHBondContact N-O 3.14Å; K105-E107 IonicContact NZ-OE2 3.86Å; K105-E107 PolarHBondContact NZ-OE2 2.92Å; E107-I109 HydrophobicContact CG-CG1 4.45Å
108V92.8Very high90.3Very high13 Ų1361.9 Ų61.98%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-94.4111.1-180-1740000109R28 V30 L81 H85 S86 V106R28-V108 CarbonylContact O-C 3.46Å; R28-V108 VanDerWaalsContact O-CA 3.26Å; R28-V108 WeakPolarHBondContact O-CA 3.1Å; V30-V108 HydrophobicContact CB-CG1 4.47Å; V30-V108 HydrophobicContact CG2-CG1 3.78Å; L81-V108 HydrophobicContact CB-CG1 3.93Å; L81-V108 HydrophobicContact CB-CG2 4.07Å; L81-V108 HydrophobicContact CD1-CG2 4.26Å; L81-V108 HydrophobicContact CD2-CG2 4.16Å; L81-V108 HydrophobicContact CG-CG2 4.41Å; H85-V108 HydrophobicContact CB-CG2 4.05Å; S86-V108 WeakPolarHBondContact OG-CB 3.46Å; S86-V108 PolarHBondContact OG-N 2.85Å; V106-V108 HydrophobicContact CG1-CG2 4.39Å
109I88.3Confident90.1Very high45 Ų4562.6 Ų62.623%0.23132%0.319CS..EExtended strand (participates in β ladder)trans-95.5122.2-174.8-53.6174.8000109.2E27 R28 P29 V30 E107 R111E27-I109 HydrophobicContact CB-CD1 3.83Å; E27-I109 HydrophobicContact CG-CD1 4Å; R28-I109 PolarHBondContact O-N 3.06Å; P29-I109 VanDerWaalsContact CA-O 3.26Å; P29-I109 WeakPolarHBondContact CA-O 3.48Å; V30-I109 PolarHBondContact N-O 3.09Å; V30-I109 VanDerWaalsContact N-O 3.13Å; E107-I109 HydrophobicContact CG-CG1 4.45Å; I109-R111 HydrophobicContact CG2-CG 3.81Å; I109-R111 PolarHBondContact O-N 3.07Å
110Q80.4Confident89.8Confident146 Ų14660.6 Ų60.668%0.68232%0.324SS*.  trans-79.599.4166.9-169.8167.91.400108.6V30V30-Q110 HydrophobicContact CG2-CB 4.01Å; V30-Q110 HydrophobicContact CG2-CG 4.36Å
111R73.3Confident89.5Confident143 Ų14364.3 Ų64.354%0.5435%0.348SS..  trans-90.7110172.1-64.9-167.2-177-175.40.8108.8I109 I113 D143I109-R111 HydrophobicContact CG2-CG 3.81Å; I109-R111 PolarHBondContact O-N 3.07Å; R111-I113 PolarHBondContact O-N 2.79Å; R111-I113 VanDerWaalsContact O-N 3.13Å; R111-D143 IonicContact NH1-OD1 2.78Å
112T72.9Confident89.4Confident114 Ų11461.8 Ų61.870%0.69933%0.333SS*.  trans-76.298.1171.7-400000107.9S114T112-S114 PolarHBondContact O-N 3.4Å; T112-S114 VanDerWaalsContact O-N 3.07Å
113I79.6Confident89.4Confident84 Ų8461.7 Ų61.743%0.43133%0.332SS..  trans-61.4116.2176.4-55.1175.2000107.5R111 V144 K214R111-I113 PolarHBondContact O-N 2.79Å; R111-I113 VanDerWaalsContact O-N 3.13Å; I113-V144 HydrophobicContact CG2-CG2 3.57Å; I113-K214 HydrophobicContact CB-CG 4.45Å; I113-K214 HydrophobicContact CG2-CG 3.72Å
114S85.1Confident89.4Confident59 Ų5962.3 Ų62.341%0.41334%0.335SS..  trans-120.9169.6-176.453.80000111T112 N212T112-S114 PolarHBondContact O-N 3.4Å; T112-S114 VanDerWaalsContact O-N 3.07Å; S114-N212 PolarHBondContact O-ND2 2.81Å
115K86.4Confident89.4Confident112 Ų11267.4 Ų67.449%0.48736%0.363SS..SBendtrans-58.1153.6169.868.9-175.4-168.2171.30110.4Y216K115-Y216 WeakPolarHBondContact CD-O 3.28Å
116P92.9Very high89.4Confident0 Ų064.2 Ų64.20%035%0.352CS..  trans-60.8147.5-177.7-21.235.4000111.2V140 P146 N212 G215 S217P116-V140 HydrophobicContact CB-CG1 3.5Å; P116-P146 HydrophobicContact CB-CB 4.41Å; P116-P146 HydrophobicContact CG-CB 4.06Å; P116-N212 VanDerWaalsContact CD-CG 3.42Å; P116-N212 WeakPolarHBondContact CD-ND2 3.46Å; P116-N212 HydrophobicContact CG-CB 3.8Å; P116-G215 WeakPolarHBondContact CD-O 3.49Å; P116-S217 WeakPolarHBondContact O-CB 3.43Å; P116-S217 PolarHBondContact O-OG 2.75Å
117V94.1Very high89.5Confident77 Ų7768.2 Ų68.247%0.46738%0.376SS..EExtended strand (participates in β ladder)trans-110.7122178.7-179.10000109.2T119 V140 R141V117-T119 HydrophobicContact CG1-CG2 4.39Å; V117-T119 PolarHBondContact O-N 2.95Å; V117-V140 CarbonylContact O-C 3.55Å; V117-V140 WeakPolarHBondContact O-CA 3.43Å; V117-R141 PolarHBondContact N-O 2.85Å; V117-R141 PolarHBondContact O-N 3.39Å
118L93.6Very high89.6Confident17 Ų1765.6 Ų65.69%0.08937%0.365CS..EExtended strand (participates in β ladder)trans-75.8119.5171.6-79.976.6000108.9K139 V140 C208 S217 R219L118-K139 CarbonylContact C-O 3.54Å; L118-K139 WeakPolarHBondContact CA-O 3.34Å; L118-V140 HydrophobicContact CD1-CG2 4.47Å; L118-V140 HydrophobicContact CG-CG2 4.21Å; L118-C208 HydrophobicContact CD2-CB 4.44Å; L118-S217 VanDerWaalsContact CD1-CB 3.48Å; L118-S217 WeakPolarHBondContact CD1-O 3.26Å; L118-R219 HydrophobicContact CD2-CB 3.53Å
119T90.8Very high89.8Confident47 Ų4769.4 Ų69.429%0.28839%0.385SS..  trans-104.4148.6-172.755.90000112.2V117 K139 R141V117-T119 HydrophobicContact CG1-CG2 4.39Å; V117-T119 PolarHBondContact O-N 2.95Å; T119-K139 PolarHBondContact N-O 2.89Å; T119-K139 WeakPolarHBondContact O-CB 3.36Å; T119-K139 PolarHBondContact OG1-O 3.13Å; T119-R141 HydrophobicContact CG2-CB 3.76Å
120G88.6Confident90.2Very high54 Ų5472 Ų7256%0.55739%0.393SS*.THydrogen-bonded Turntrans71-165.1-174.500000113
121T90.8Very high90.9Very high102 Ų10266.9 Ų66.963%0.62638%0.379SS*.THydrogen-bonded Turntrans-94.67.8-175.750.80000114.1P123 V124T121-P123 CarbonylContact O-C 3.51Å; T121-P123 VanDerWaalsContact O-O 3.09Å; T121-V124 VanDerWaalsContact O-CG2 3.23Å; T121-V124 WeakPolarHBondContact O-CG2 3.26Å
122H92.8Very high92Very high42 Ų4261.1 Ų61.119%0.19436%0.364CS..  trans-94.8149-172-59.272.5000112.4Q137 R219H122-Q137 HydrophobicContact CB-CB 4.35Å; H122-Q137 VanDerWaalsContact CB-O 3.32Å; H122-Q137 WeakPolarHBondContact CB-O 3.46Å; H122-R219 VanDerWaalsContact O-CD 3.27Å; H122-R219 WeakPolarHBondContact O-CD 3.27Å
123P95.2Very high93.1Very high5 Ų559.8 Ų59.83%0.03236%0.356CS..SBendcis-68.5157.3-628.8-34.8000112.9T121 F136 Q137 W150 A221T121-P123 CarbonylContact O-C 3.51Å; T121-P123 VanDerWaalsContact O-O 3.09Å; P123-F136 HydrophobicContact CB-CB 4.19Å; P123-F136 HydrophobicContact CB-CD1 3.92Å; P123-F136 HydrophobicContact CB-CG 4.33Å; P123-Q137 WeakPolarHBondContact CA-O 3.32Å; P123-W150 HydrophobicContact CB-CH2 3.88Å; P123-W150 HydrophobicContact CB-CZ3 4.14Å; P123-W150 HydrophobicContact CG-CH2 4.05Å; P123-W150 HydrophobicContact CG-CZ3 4.03Å; P123-A221 HydrophobicContact CB-CB 3.61Å; P123-A221 HydrophobicContact CG-CB 3.83Å
124V95.3Very high93.9Very high70 Ų7057.1 Ų57.142%0.42434%0.343SS..  trans-118.9142.1-178.3-176.70000108.6T121 T126 F136T121-V124 VanDerWaalsContact O-CG2 3.23Å; T121-V124 WeakPolarHBondContact O-CG2 3.26Å; V124-T126 PolarHBondContact O-N 2.89Å; V124-T126 PolarHBondContact O-OG1 2.93Å; V124-F136 VanDerWaalsContact O-CE1 3.23Å; V124-F136 WeakPolarHBondContact O-CE1 3.32Å
125N97.4Very high94.4Very high114 Ų11456.4 Ų56.461%0.6134%0.339SS*.  trans-51.6134.6174.4-65.7-8.3000110.7A221 Y222N125-A221 WeakPolarHBondContact OD1-CA 3.3Å; N125-Y222 WeakPolarHBondContact CA-O 3.22Å; N125-Y222 PolarHBondContact OD1-N 3.36Å
126T97.1Very high94.9Very high32 Ų3251.3 Ų51.320%0.19632%0.316CS..EExtended strand (participates in β ladder)trans-136137.9-170.9-61.80000110.4V124 T134 Y222 L223 T224V124-T126 PolarHBondContact O-N 2.89Å; V124-T126 PolarHBondContact O-OG1 2.93Å; T126-T134 HydrophobicContact CG2-CG2 4.29Å; T126-T134 VanDerWaalsContact CG2-OG1 3.26Å; T126-T134 WeakPolarHBondContact CG2-OG1 3.39Å; T126-Y222 PolarHBondContact N-O 2.91Å; T126-L223 HydrophobicContact CG2-CD1 4.44Å; T126-L223 WeakPolarHBondContact O-CA 3.43Å; T126-T224 PolarHBondContact O-N 2Å
127T97.7Very high95Very high87 Ų8753.8 Ų53.853%0.53433%0.328SS..EExtended strand (participates in β ladder)trans-112.1136.3174.2-53.30000109.1T224 L226T127-T224 CarbonylContact C-O 3.55Å; T127-T224 VanDerWaalsContact CA-O 3.27Å; T127-T224 WeakPolarHBondContact CA-O 3.39Å; T127-T224 HydrophobicContact CG2-CG2 4.18Å; T127-L226 HydrophobicContact CG2-CD1 3.81Å; T127-L226 HydrophobicContact CG2-CD2 3.86Å; T127-L226 HydrophobicContact CG2-CG 3.61Å
128V97.2Very high95.1Very high14 Ų1450.1 Ų50.19%0.08531%0.306CS..EExtended strand (participates in β ladder)trans-138.3144.3179.767.80000109.8T134 A198 L223 T224 V225 L226V128-T134 HydrophobicContact CB-CG2 4.13Å; V128-T134 HydrophobicContact CG1-CG2 4.2Å; V128-T134 HydrophobicContact CG2-CG2 4.32Å; V128-A198 HydrophobicContact CG1-CB 3.69Å; V128-L223 HydrophobicContact CG1-CD1 4Å; V128-T224 PolarHBondContact N-O 3.07Å; V128-V225 HydrophobicContact CG1-CG2 3.99Å; V128-V225 CarbonylContact O-C 3.58Å; V128-V225 VanDerWaalsContact O-CA 3.31Å; V128-V225 WeakPolarHBondContact O-CA 3.49Å; V128-L226 PolarHBondContact O-N 2.94Å
129D96.6Very high95.2Very high93 Ų9352.9 Ų52.950%0.49732%0.317SS..EExtended strand (participates in β ladder)trans-70.2151.2171.5-61.9-58.7000111.2G131 G132 L226D129-G131 PolarHBondContact O-N 2.85Å; D129-G132 WeakPolarHBondContact O-CA 3.23Å; D129-G132 PolarHBondContact O-N 3.4Å; D129-L226 WeakPolarHBondContact OD1-CD1 3.28Å
130Y96.6Very high95.4Very high100 Ų10050.6 Ų50.639%0.39230%0.303SS..THydrogen-bonded Turntrans-51.3134.3172.3-178.1-89.5000111.6G132 Q199 L226 D228Y130-G132 PolarHBondContact O-N 3.26Å; Y130-Q199 HydrophobicContact CE2-CB 4.42Å; Y130-L226 VanDerWaalsContact CB-O 3.3Å; Y130-L226 WeakPolarHBondContact CB-O 3.44Å; Y130-L226 PolarHBondContact N-O 3.17Å; Y130-D228 HydrophobicContact CD1-CB 3.69Å; Y130-D228 HydrophobicContact CE1-CB 4.33Å; Y130-D228 HydrophobicContact CG-CB 3.95Å
131G95.3Very high95.7Very high39 Ų3954.7 Ų54.740%0.40230%0.302SS..THydrogen-bonded Turntrans73.9-4.9-174.300000114.4D129 R197 A198D129-G131 PolarHBondContact O-N 2.85Å; G131-R197 WeakPolarHBondContact O-CA 3.25Å; G131-A198 PolarHBondContact N-O 3.07Å
132G96.2Very high95.6Very high21 Ų2150.2 Ų50.222%0.21628%0.275CS..  trans-68.7171.3176.800000113.2D129 Y130 R197 A198D129-G132 WeakPolarHBondContact O-CA 3.23Å; D129-G132 PolarHBondContact O-N 3.4Å; Y130-G132 PolarHBondContact O-N 3.26Å; G132-R197 WeakPolarHBondContact O-CA 3.44Å; G132-R197 PolarHBondContact O-N 2.92Å; G132-R197 VanDerWaalsContact O-N 3.07Å; G132-A198 PolarHBondContact O-N 3.42Å
133T96.9Very high95.3Very high87 Ų8752.3 Ų52.353%0.53429%0.287SS..  trans-125.7132.7176.7-62.90000109.4L194 I195T133-L194 HydrophobicContact CG2-CD1 3.72Å; T133-L194 HydrophobicContact CG2-CG 4.39Å; T133-I195 CarbonylContact C-O 3.47Å; T133-I195 VanDerWaalsContact CA-O 3.28Å; T133-I195 WeakPolarHBondContact CA-O 3.48Å; T133-I195 WeakPolarHBondContact CG2-O 3.33Å
134T95.9Very high94.9Very high27 Ų2754.3 Ų54.317%0.16630%0.299CS..EExtended strand (participates in β ladder)trans-142.5171.9179.7-167.60000111.3T126 V128 I195 L223T126-T134 HydrophobicContact CG2-CG2 4.29Å; T126-T134 VanDerWaalsContact CG2-OG1 3.26Å; T126-T134 WeakPolarHBondContact CG2-OG1 3.39Å; V128-T134 HydrophobicContact CB-CG2 4.13Å; V128-T134 HydrophobicContact CG1-CG2 4.2Å; V128-T134 HydrophobicContact CG2-CG2 4.32Å; T134-I195 HydrophobicContact CG2-CB 4.18Å; T134-I195 PolarHBondContact N-O 3.24Å; T134-I195 PolarHBondContact O-N 3.28Å; T134-I195 VanDerWaalsContact O-O 3.14Å; T134-L223 HydrophobicContact CG2-CD1 3.78Å
135S95.3Very high94.5Very high45 Ų4559.1 Ų59.132%0.31532%0.315SS..EExtended strand (participates in β ladder)trans-145140.9177.168.90000113.3L193S135-L193 CarbonylContact C-O 3.53Å; S135-L193 WeakPolarHBondContact CA-O 3.4Å; S135-L193 VanDerWaalsContact CB-O 3.31Å; S135-L193 WeakPolarHBondContact CB-O 3.45Å
136F96.8Very high94.3Very high4 Ų454.2 Ų54.22%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-92.3143.9165.2-68.1-65.6000110.3P123 V124 W150 K192 L193 I195 Y206 A221 L223P123-F136 HydrophobicContact CB-CB 4.19Å; P123-F136 HydrophobicContact CB-CD1 3.92Å; P123-F136 HydrophobicContact CB-CG 4.33Å; V124-F136 VanDerWaalsContact O-CE1 3.23Å; V124-F136 WeakPolarHBondContact O-CE1 3.32Å; F136-W150 HydrophobicContact CB-CH2 3.43Å; F136-W150 VanDerWaalsContact CB-CH2 3.43Å; F136-W150 HydrophobicContact CB-CZ2 4.01Å; F136-W150 HydrophobicContact CB-CZ3 3.81Å; F136-W150 HydrophobicContact CG-CH2 4.44Å; F136-W150 HydrophobicContact CG-CZ3 4.41Å; F136-K192 CarbonylContact O-C 3.54Å; F136-K192 VanDerWaalsContact O-CA 3.23Å; F136-K192 WeakPolarHBondContact O-CA 3.45Å; F136-L193 HydrophobicContact CB-CB 4.45Å; F136-L193 HydrophobicContact CD2-CD2 4.38Å; F136-L193 PolarHBondContact N-O 3.03Å; F136-L193 PolarHBondContact O-N 2.57Å; F136-I195 HydrophobicContact CD2-CD1 4.01Å; F136-I195 HydrophobicContact CE2-CD1 3.77Å; F136-Y206 HydrophobicContact CD2-CD1 4.41Å; F136-Y206 HydrophobicContact CD2-CD2 4.46Å; F136-Y206 HydrophobicContact CD2-CG 4.08Å; F136-Y206 HydrophobicContact CE2-CD1 4.26Å; F136-Y206 AromaticContact CE2-CD2 3.59Å; F136-Y206 HydrophobicContact CE2-CD2 3.59Å; F136-Y206 HydrophobicContact CE2-CE2 4.18Å; F136-Y206 AromaticContact CE2-CG 3.64Å; F136-Y206 HydrophobicContact CE2-CG 3.64Å; F136-Y206 HydrophobicContact CZ-CD2 4.22Å; F136-A221 HydrophobicContact CD1-CB 4.16Å; F136-A221 HydrophobicContact CE1-CB 3.78Å; F136-A221 HydrophobicContact CZ-CB 4.44Å; F136-L223 HydrophobicContact CE2-CB 4.2Å; F136-L223 HydrophobicContact CE2-CD1 4.44Å; F136-L223 HydrophobicContact CZ-CB 3.94Å; F136-L223 HydrophobicContact CZ-CD1 4.19Å
137Q95.7Very high94.1Very high53 Ų5357.3 Ų57.325%0.24831%0.308CS..EExtended strand (participates in β ladder)trans-109149.9172.3-45.3-173.431.800109.7H122 P123 L190 K192H122-Q137 HydrophobicContact CB-CB 4.35Å; H122-Q137 VanDerWaalsContact CB-O 3.32Å; H122-Q137 WeakPolarHBondContact CB-O 3.46Å; P123-Q137 WeakPolarHBondContact CA-O 3.32Å; Q137-L190 HydrophobicContact CB-CD1 4.21Å; Q137-K192 HydrophobicContact CB-CG 4.43Å; Q137-K192 HydrophobicContact CG-CD 4.41Å; Q137-K192 HydrophobicContact CG-CG 4.11Å
138C95.3Very high93.9Very high0 Ų053.5 Ų53.50%028%0.284CS..EExtended strand (participates in β ladder)trans-136119170.6-172.90000110.4W150 L190 N191 C208C138-W150 HydrophobicContact CB-CH2 3.92Å; C138-W150 HydrophobicContact CB-CZ2 3.48Å; C138-W150 VanDerWaalsContact CB-CZ2 3.48Å; C138-L190 WeakPolarHBondContact O-CA 3.27Å; C138-N191 PolarHBondContact N-O 3.46Å; C138-N191 PolarHBondContact O-N 2.72Å; C138-C208 HydrophobicContact CB-CB 3.58Å; C138-C208 WeakPolarHBondContact CB-SG 3.37Å; C138-C208 WeakPolarHBondContact SG-CB 3.44Å; C138-C208 CovalentContact SG-SG 2Å; C138-C208 PolarHBondContact SG-SG 2.8Å
139K95.5Very high93.7Very high74 Ų7455.1 Ų55.132%0.32229%0.29SS..EExtended strand (participates in β ladder)trans-108.2120.1-178.6-70.6175-176.4174.50109.1L118 T119 Y189 L190L118-K139 CarbonylContact C-O 3.54Å; L118-K139 WeakPolarHBondContact CA-O 3.34Å; T119-K139 PolarHBondContact N-O 2.89Å; T119-K139 WeakPolarHBondContact O-CB 3.36Å; T119-K139 PolarHBondContact OG1-O 3.13Å; K139-Y189 CarbonylContact C-O 3.57Å; K139-Y189 WeakPolarHBondContact CA-O 3.4Å; K139-L190 HydrophobicContact CG-CD1 3.61Å
140V95.2Very high93.6Very high0 Ų050.7 Ų50.70%027%0.267CS..EExtended strand (participates in β ladder)trans-124.8132.7-175.2-179.80000109.3P116 V117 L118 P146 I148 S188 Y189P116-V140 HydrophobicContact CB-CG1 3.5Å; V117-V140 CarbonylContact O-C 3.55Å; V117-V140 WeakPolarHBondContact O-CA 3.43Å; L118-V140 HydrophobicContact CD1-CG2 4.47Å; L118-V140 HydrophobicContact CG-CG2 4.21Å; V140-P146 HydrophobicContact CG1-CB 4.41Å; V140-P146 HydrophobicContact CG1-CG 4.18Å; V140-I148 HydrophobicContact CB-CD1 4.02Å; V140-I148 HydrophobicContact CG2-CD1 3.79Å; V140-I148 HydrophobicContact CG2-CG1 4.13Å; V140-S188 CarbonylContact O-C 3.57Å; V140-S188 WeakPolarHBondContact O-CA 3.47Å; V140-Y189 PolarHBondContact N-O 2.65Å; V140-Y189 PolarHBondContact O-N 3.26Å
141R94Very high93.3Very high139 Ų13947.2 Ų47.253%0.52525%0.254SS..EExtended strand (participates in β ladder)trans-106.7129.2169.5-174.7179.6175.8110.4-0.6108.8V117 T119V117-R141 PolarHBondContact N-O 2.85Å; V117-R141 PolarHBondContact O-N 3.39Å; T119-R141 HydrophobicContact CG2-CB 3.76Å
142S90Very high93.1Very high8 Ų846.6 Ų46.66%0.05624%0.241CC..  trans-155.3134.4-180-173.80000111V144 G187 N212S142-V144 VanDerWaalsContact C-N 3.26Å; S142-V144 VanDerWaalsContact CB-O 3.24Å; S142-V144 WeakPolarHBondContact CB-O 3.5Å; S142-V144 PolarHBondContact O-N 2.86Å; S142-V144 PolarHBondContact OG-N 2.79Å; S142-V144 PolarHBondContact OG-O 2.88Å; S142-G187 PolarHBondContact N-O 3.48Å; S142-N212 PolarHBondContact OG-ND2 2.94Å
143D85.3Confident92.8Very high87 Ų8748.4 Ų48.447%0.46524%0.241SC..SBendtrans-72.2-22.2174.8-70.9-58.5000112.8R111R111-D143 IonicContact NH1-OD1 2.78Å
144V86.7Confident92.4Very high46 Ų4644.9 Ų44.928%0.27922%0.219SC..SBendtrans-110.7138174177.60000108.1I113 S142 P146 N212I113-V144 HydrophobicContact CG2-CG2 3.57Å; S142-V144 VanDerWaalsContact C-N 3.26Å; S142-V144 VanDerWaalsContact CB-O 3.24Å; S142-V144 WeakPolarHBondContact CB-O 3.5Å; S142-V144 PolarHBondContact O-N 2.86Å; S142-V144 PolarHBondContact OG-N 2.79Å; S142-V144 PolarHBondContact OG-O 2.88Å; V144-P146 VanDerWaalsContact O-CD 3.23Å; V144-P146 WeakPolarHBondContact O-CD 3.36Å; V144-N212 HydrophobicContact CB-CB 4.38Å; V144-N212 HydrophobicContact CG1-CB 4.44Å
145K88.1Confident91.8Very high172 Ų17245.9 Ų45.975%0.74822%0.222SC*.  trans-50113.8178.4-175.7179.4179-178.50110.4Y189K145-Y189 HydrophobicContact CG-CE1 4.38Å
146P92.6Very high90.9Very high10 Ų1049.3 Ų49.37%0.06524%0.243CC..  trans-86.7156-177.334.7-32.5000110.9P116 V140 V144 Y189 A211P116-P146 HydrophobicContact CB-CB 4.41Å; P116-P146 HydrophobicContact CG-CB 4.06Å; V140-P146 HydrophobicContact CG1-CB 4.41Å; V140-P146 HydrophobicContact CG1-CG 4.18Å; V144-P146 VanDerWaalsContact O-CD 3.23Å; V144-P146 WeakPolarHBondContact O-CD 3.36Å; P146-Y189 HydrophobicContact CG-CD1 4.25Å; P146-Y189 HydrophobicContact CG-CD2 3.6Å; P146-Y189 HydrophobicContact CG-CE1 4.48Å; P146-Y189 HydrophobicContact CG-CE2 3.88Å; P146-Y189 HydrophobicContact CG-CG 3.82Å; P146-A211 CarbonylContact C-O 3.5Å; P146-A211 WeakPolarHBondContact CA-O 3.13Å; P146-A211 WeakPolarHBondContact CB-O 3.39Å
147V92.3Very high89.7Confident98 Ų9852.9 Ų52.959%0.59428%0.282SS*.EExtended strand (participates in β ladder)trans-86.6127.7159.3178.90000107.2G210 A211V147-G210 CarbonylContact O-C 3.43Å; V147-G210 WeakPolarHBondContact O-CA 3.34Å; V147-A211 PolarHBondContact N-O 2.83Å; V147-A211 PolarHBondContact O-N 2.93Å
148I94.3Very high88.7Confident7 Ų753.8 Ų53.84%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-110.1130.6172.6-57.6-178.5000107.1V140 T178 V181 N191 L209V140-I148 HydrophobicContact CB-CD1 4.02Å; V140-I148 HydrophobicContact CG2-CD1 3.79Å; V140-I148 HydrophobicContact CG2-CG1 4.13Å; I148-T178 WeakPolarHBondContact O-CG2 3.25Å; I148-V181 HydrophobicContact CB-CG2 4.43Å; I148-V181 HydrophobicContact CD1-CG1 3.93Å; I148-N191 HydrophobicContact CB-CB 4.47Å; I148-N191 HydrophobicContact CD1-CB 4.39Å; I148-N191 HydrophobicContact CG2-CB 3.88Å; I148-L209 CarbonylContact C-O 3.57Å; I148-L209 VanDerWaalsContact CA-O 3.31Å; I148-L209 WeakPolarHBondContact CA-O 3.46Å
149Q92.4Very high87.5Confident47 Ų4762.8 Ų62.822%0.2233%0.328CS..EExtended strand (participates in β ladder)trans-139.9135.2-175.4-176.353.258.900110.6V175 L176 T178 L209Q149-V175 VanDerWaalsContact CD-CG1 3.5Å; Q149-V175 HydrophobicContact CG-CG1 4.03Å; Q149-L176 PolarHBondContact NE2-O 3.22Å; Q149-T178 PolarHBondContact NE2-OG1 2.84Å; Q149-T178 VanDerWaalsContact NE2-OG1 3.11Å; Q149-T178 PolarHBondContact OE1-OG1 3.43Å; Q149-L209 HydrophobicContact CB-CB 4.5Å; Q149-L209 PolarHBondContact N-O 2.9Å; Q149-L209 PolarHBondContact O-N 2.95Å
150W94.5Very high86Confident1 Ų161 Ų610%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-96.9145.5171.6-71.395.9000111.9P123 F136 C138 L176 T178 N191 L193 I207 C208P123-W150 HydrophobicContact CB-CH2 3.88Å; P123-W150 HydrophobicContact CB-CZ3 4.14Å; P123-W150 HydrophobicContact CG-CH2 4.05Å; P123-W150 HydrophobicContact CG-CZ3 4.03Å; F136-W150 HydrophobicContact CB-CH2 3.43Å; F136-W150 VanDerWaalsContact CB-CH2 3.43Å; F136-W150 HydrophobicContact CB-CZ2 4.01Å; F136-W150 HydrophobicContact CB-CZ3 3.81Å; F136-W150 HydrophobicContact CG-CH2 4.44Å; F136-W150 HydrophobicContact CG-CZ3 4.41Å; C138-W150 HydrophobicContact CB-CH2 3.92Å; C138-W150 HydrophobicContact CB-CZ2 3.48Å; C138-W150 VanDerWaalsContact CB-CZ2 3.48Å; W150-L176 HydrophobicContact CB-CB 4.04Å; W150-L176 HydrophobicContact CB-CD1 4.26Å; W150-L176 PolarHBondContact O-N 3.09Å; W150-T178 PolarHBondContact N-OG1 2.85Å; W150-N191 VanDerWaalsContact CD1-OD1 3.27Å; W150-N191 PolarHBondContact NE1-OD1 2.93Å; W150-L193 HydrophobicContact CB-CD1 4.46Å; W150-L193 HydrophobicContact CB-CD2 4.07Å; W150-L193 HydrophobicContact CD2-CB 3.75Å; W150-L193 HydrophobicContact CD2-CD2 3.89Å; W150-L193 HydrophobicContact CD2-CG 4.4Å; W150-L193 HydrophobicContact CE3-CB 4.39Å; W150-L193 HydrophobicContact CE3-CD2 3.97Å; W150-L193 HydrophobicContact CG-CB 3.88Å; W150-L193 HydrophobicContact CG-CD1 4.39Å; W150-L193 HydrophobicContact CG-CD2 3.94Å; W150-L193 HydrophobicContact CG-CG 4.3Å; W150-L193 HydrophobicContact CZ2-CB 4.14Å; W150-I207 WeakPolarHBondContact CA-O 3.22Å; W150-C208 HydrophobicContact CD2-CB 4.31Å; W150-C208 HydrophobicContact CE3-CB 3.98Å; W150-C208 HydrophobicContact CH2-CB 3.71Å; W150-C208 HydrophobicContact CZ2-CB 4.08Å; W150-C208 HydrophobicContact CZ3-CB 3.67Å
151M90.5Very high84.6Confident27 Ų2768.3 Ų68.313%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-140.7149.5171.660.5-176.465.600110.6F173 V174 Y206 I207 L209M151-F173 HydrophobicContact CB-CB 4.46Å; M151-F173 HydrophobicContact CG-CD1 4.46Å; M151-F173 HydrophobicContact SD-CB 4.37Å; M151-F173 HydrophobicContact SD-CD1 4.11Å; M151-F173 HydrophobicContact SD-CG 4.24Å; M151-V174 CarbonylContact C-O 3.49Å; M151-V174 WeakPolarHBondContact CA-O 3.26Å; M151-V174 WeakPolarHBondContact CB-O 3.34Å; M151-Y206 CarbonylContact O-C 3.51Å; M151-Y206 WeakPolarHBondContact O-CA 3.3Å; M151-I207 HydrophobicContact CG-CB 3.57Å; M151-I207 HydrophobicContact CG-CD1 4.16Å; M151-I207 HydrophobicContact CG-CG1 4.33Å; M151-I207 HydrophobicContact CG-CG2 4.2Å; M151-I207 PolarHBondContact N-O 2.93Å; M151-I207 PolarHBondContact O-N 3.35Å; M151-I207 HydrophobicContact SD-CB 4.13Å; M151-I207 HydrophobicContact SD-CD1 4.03Å; M151-I207 HydrophobicContact SD-CG2 4.23Å; M151-L209 HydrophobicContact CE-CB 4.25Å; M151-L209 HydrophobicContact CE-CD2 4.06Å
152K91.8Very high83.2Confident26 Ų2665.8 Ų65.811%0.11335%0.347CS..EExtended strand (participates in β ladder)trans-108.8135.3170.8-166.3-164.4-179.1-137.10108.5E158 F173 V174 L176 D201 D202 A203 M205 Y206K152-E158 IonicContact NZ-OE2 2.73Å; K152-F173 CarbonylContact O-C 3.48Å; K152-F173 WeakPolarHBondContact O-CA 3.44Å; K152-V174 PolarHBondContact N-O 2.97Å; K152-V174 PolarHBondContact O-N 3.06Å; K152-L176 HydrophobicContact CB-CD1 4.22Å; K152-L176 HydrophobicContact CB-CD2 4.45Å; K152-D201 PolarHBondContact NZ-O 2.87Å; K152-D202 WeakPolarHBondContact CE-O 3.36Å; K152-A203 WeakPolarHBondContact CE-O 3.46Å; K152-A203 PolarHBondContact NZ-O 2.92Å; K152-M205 WeakPolarHBondContact CA-O 3.27Å; K152-Y206 HydrophobicContact CB-CD1 4.3Å; K152-Y206 HydrophobicContact CB-CE1 4.15Å; K152-Y206 HydrophobicContact CD-CE1 4.41Å; K152-Y206 HydrophobicContact CD-CE2 4.39Å; K152-Y206 HydrophobicContact CG-CD1 4.35Å; K152-Y206 HydrophobicContact CG-CD2 4.45Å; K152-Y206 HydrophobicContact CG-CE1 4.05Å; K152-Y206 HydrophobicContact CG-CE2 4.12Å
153R90Very high81.9Confident59 Ų5973.5 Ų73.522%0.22339%0.387CS..EExtended strand (participates in β ladder)trans-70.4134.7168.4-163.4175.597.4160.610.8109.3E155 F173 M205R153-E155 IonicContact CZ-OE1 3.99Å; R153-E155 IonicContact CZ-OE2 2.95Å; R153-E155 IonicContact NE-OE1 3.68Å; R153-E155 PolarHBondContact NE-OE1 3.2Å; R153-E155 IonicContact NE-OE2 3.06Å; R153-E155 IonicContact NH2-OE1 2.96Å; R153-E155 PolarHBondContact NH2-OE1 3.13Å; R153-E155 VanDerWaalsContact NH2-OE1 3.07Å; R153-E155 IonicContact NH2-OE2 3.99Å; R153-E155 PolarHBondContact NH2-OE2 3.39Å; R153-F173 HydrophobicContact CB-CD1 4.08Å; R153-F173 HydrophobicContact CB-CE1 3.92Å; R153-F173 HydrophobicContact CG-CD1 4.2Å; R153-F173 HydrophobicContact CG-CE1 3.79Å; R153-F173 HydrophobicContact CG-CZ 4.4Å; R153-M205 HydrophobicContact CB-CB 4.12Å; R153-M205 PolarHBondContact N-O 2.84Å
154V87.7Confident81.2Confident13 Ų1372.7 Ų72.78%0.07939%0.389CS..EExtended strand (participates in β ladder)trans-90.2125.4172.3-173.30000107.5E158 A160 R172 V174V154-E158 HydrophobicContact CG1-CB 3.96Å; V154-A160 HydrophobicContact CG2-CB 4.48Å; V154-R172 HydrophobicContact CB-CB 4.14Å; V154-R172 HydrophobicContact CG2-CB 4.4Å; V154-R172 PolarHBondContact N-O 3.24Å; V154-V174 HydrophobicContact CG2-CB 4.45Å; V154-V174 HydrophobicContact CG2-CG2 3.41Å; V154-V174 VanDerWaalsContact CG2-CG2 3.41Å
155E82.9Confident80.7Confident47 Ų4773.8 Ų73.822%0.2240%0.396CS..PPolyproline II helixtrans-75152.1175.4-66.8-55.7137.200110.8R153 G157 E158R153-E155 IonicContact CZ-OE1 3.99Å; R153-E155 IonicContact CZ-OE2 2.95Å; R153-E155 IonicContact NE-OE1 3.68Å; R153-E155 PolarHBondContact NE-OE1 3.2Å; R153-E155 IonicContact NE-OE2 3.06Å; R153-E155 IonicContact NH2-OE1 2.96Å; R153-E155 PolarHBondContact NH2-OE1 3.13Å; R153-E155 VanDerWaalsContact NH2-OE1 3.07Å; R153-E155 IonicContact NH2-OE2 3.99Å; R153-E155 PolarHBondContact NH2-OE2 3.39Å; E155-G157 PolarHBondContact O-N 3.24Å; E155-E158 PolarHBondContact O-N 2.93Å; E155-E158 VanDerWaalsContact O-N 3.15Å
156P77.4Confident80.3Confident117 Ų11769.2 Ų69.276%0.7638%0.379SS*.THydrogen-bonded Turntrans-56.7126.6177.9-23.233.6000111.1
157G72.3Confident79.7Confident80 Ų8075.9 Ų75.983%0.82541%0.409SS*.THydrogen-bonded Turntrans92.7-9.5-179.300000115.7E155E155-G157 PolarHBondContact O-N 3.24Å
158E74.4Confident78.8Confident71 Ų7173.9 Ų73.933%0.33240%0.403SS..  trans-82.1138.8169.2-70.3-175164.600111.2K152 V154 E155 R172K152-E158 IonicContact NZ-OE2 2.73Å; V154-E158 HydrophobicContact CG1-CB 3.96Å; E155-E158 PolarHBondContact O-N 2.93Å; E155-E158 VanDerWaalsContact O-N 3.15Å; E158-R172 PolarHBondContact O-NH2 3.5Å
159E69.1Low78.1Confident190 Ų19077 Ų7789%0.88844%0.436SS*.  trans-78.5135.3166-70.6-168166.300109.9R161E159-R161 PolarHBondContact O-N 3.02Å; E159-R161 VanDerWaalsContact O-N 3.16Å
160A64.9Low77.5Confident35 Ų3583.1 Ų83.129%0.28947%0.471SS..  trans-69.3115.4-179.500000110.5V154 F162 T165 V174V154-A160 HydrophobicContact CG2-CB 4.48Å; A160-F162 PolarHBondContact O-N 3.33Å; A160-T165 HydrophobicContact CB-CG2 3.29Å; A160-V174 HydrophobicContact CB-CG2 3.73Å
161R65.4Low76.9Confident155 Ų15587.3 Ų87.359%0.58549%0.49SS*.SBendtrans-59.4-16.6177.8-169.3178.6-174.2173.811.5114.3E159 D202E159-R161 PolarHBondContact O-N 3.02Å; E159-R161 VanDerWaalsContact O-N 3.16Å; R161-D202 IonicContact NH1-OD1 3.89Å; R161-D202 PolarHBondContact NH1-OD1 3.2Å
162F63.7Low76.6Confident85 Ų8590.4 Ų90.437%0.37350%0.501SS..SBendtrans-129.6145.8-179.1-47.8-102.8000111.5A160 S164 V174 L176A160-F162 PolarHBondContact O-N 3.33Å; F162-S164 PolarHBondContact O-N 2.79Å; F162-S164 VanDerWaalsContact O-N 3.11Å; F162-V174 HydrophobicContact CB-CG1 3.48Å; F162-V174 VanDerWaalsContact CB-CG1 3.48Å; F162-V174 HydrophobicContact CD2-CG1 3.48Å; F162-V174 VanDerWaalsContact CD2-CG1 3.48Å; F162-V174 HydrophobicContact CE2-CG1 4.49Å; F162-V174 HydrophobicContact CG-CG1 3.78Å; F162-L176 HydrophobicContact CD2-CD2 4.27Å; F162-L176 HydrophobicContact CE2-CD2 3.8Å; F162-L176 HydrophobicContact CZ-CD2 4.16Å
163N64.4Low76.4Confident170 Ų17090.1 Ų90.191%0.90950%0.499SS*.SBendtrans-69.9-6.2-174.4-62.1-8.7000114.7
164S69.5Low76.3Confident71 Ų7187.6 Ų87.650%0.49749%0.49SS..  trans-105.374.8-177.8-58.10000110.4F162 V175F162-S164 PolarHBondContact O-N 2.79Å; F162-S164 VanDerWaalsContact O-N 3.11Å; S164-V175 PolarHBondContact O-N 2.84Å
165T76.4Confident76.3Confident69 Ų6988.7 Ų88.742%0.42350%0.497SS..EExtended strand (participates in β ladder)trans-89142.4172.345.10000111.2A160 F173 V174A160-T165 HydrophobicContact CB-CG2 3.29Å; T165-F173 CarbonylContact C-O 3.57Å; T165-F173 VanDerWaalsContact CA-O 3.24Å; T165-F173 WeakPolarHBondContact CA-O 3.4Å; T165-V174 HydrophobicContact CG2-CG2 3.86Å
166I79.1Confident76.6Confident76 Ų7687.1 Ų87.139%0.3949%0.49SS..EExtended strand (participates in β ladder)trans-123.3135.2172.9-59176.1000107.3F173 V175I166-F173 PolarHBondContact N-O 2.93Å; I166-F173 PolarHBondContact O-N 2.72Å; I166-V175 HydrophobicContact CD1-CG2 3.3Å; I166-V175 HydrophobicContact CG1-CG2 3.79Å
167E81.4Confident77Confident149 Ų14986.2 Ų86.270%0.69648%0.484SS*.EExtended strand (participates in β ladder)trans-104.6129.8175.3-54-170.4154.900108.8R172E167-R172 HydrophobicContact CG-CG 4.28Å
168A72.7Confident77.3Confident56 Ų5684.4 Ų84.446%0.46346%0.457SS..EExtended strand (participates in β ladder)trans-136.8101176.500000108.7Q171 F173A168-Q171 PolarHBondContact N-O 3.35Å; A168-Q171 PolarHBondContact O-N 3.2Å; A168-F173 HydrophobicContact CB-CD2 4.4Å; A168-F173 HydrophobicContact CB-CE2 4.09Å
169G78.8Confident77.7Confident72 Ų7283.2 Ų83.274%0.74246%0.464SS*.THydrogen-bonded Turntrans60.9-133.9-165.400000110.4Q171G169-Q171 PolarHBondContact O-N 2.63Å
170D81.6Confident78.6Confident176 Ų17680.5 Ų80.594%0.94145%0.451SS*.THydrogen-bonded Turntrans-83.23.1178.8-63.6-15.2000113.6
171Q81Confident79.9Confident89 Ų8981.5 Ų81.542%0.41645%0.454SS..EExtended strand (participates in β ladder)trans-103137.7-176.6-64.3-173.8-21.500111.7A168 G169 F173A168-Q171 PolarHBondContact N-O 3.35Å; A168-Q171 PolarHBondContact O-N 3.2Å; G169-Q171 PolarHBondContact O-N 2.63Å; Q171-F173 HydrophobicContact CB-CD2 4.46Å; Q171-F173 HydrophobicContact CB-CE2 3.55Å; Q171-F173 HydrophobicContact CB-CZ 3.79Å
172R85.3Confident81.2Confident93 Ų9379.2 Ų79.235%0.35145%0.445SS..EExtended strand (participates in β ladder)trans-108.3134.8175-63.5-174.2-63.4156.68.6110.1V154 E158 E167V154-R172 HydrophobicContact CB-CB 4.14Å; V154-R172 HydrophobicContact CG2-CB 4.4Å; V154-R172 PolarHBondContact N-O 3.24Å; E158-R172 PolarHBondContact O-NH2 3.5Å; E167-R172 HydrophobicContact CG-CG 4.28Å
173F86.1Confident82.6Confident19 Ų1979.1 Ų79.18%0.08346%0.455CS..EExtended strand (participates in β ladder)trans-126.5144.9179.9-60.9-84.3000110.1M151 K152 R153 T165 I166 A168 Q171 I207M151-F173 HydrophobicContact CB-CB 4.46Å; M151-F173 HydrophobicContact CG-CD1 4.46Å; M151-F173 HydrophobicContact SD-CB 4.37Å; M151-F173 HydrophobicContact SD-CD1 4.11Å; M151-F173 HydrophobicContact SD-CG 4.24Å; K152-F173 CarbonylContact O-C 3.48Å; K152-F173 WeakPolarHBondContact O-CA 3.44Å; R153-F173 HydrophobicContact CB-CD1 4.08Å; R153-F173 HydrophobicContact CB-CE1 3.92Å; R153-F173 HydrophobicContact CG-CD1 4.2Å; R153-F173 HydrophobicContact CG-CE1 3.79Å; R153-F173 HydrophobicContact CG-CZ 4.4Å; T165-F173 CarbonylContact C-O 3.57Å; T165-F173 VanDerWaalsContact CA-O 3.24Å; T165-F173 WeakPolarHBondContact CA-O 3.4Å; I166-F173 PolarHBondContact N-O 2.93Å; I166-F173 PolarHBondContact O-N 2.72Å; A168-F173 HydrophobicContact CB-CD2 4.4Å; A168-F173 HydrophobicContact CB-CE2 4.09Å; Q171-F173 HydrophobicContact CB-CD2 4.46Å; Q171-F173 HydrophobicContact CB-CE2 3.55Å; Q171-F173 HydrophobicContact CB-CZ 3.79Å; F173-I207 HydrophobicContact CD1-CD1 3.91Å; F173-I207 HydrophobicContact CE1-CD1 3.42Å; F173-I207 VanDerWaalsContact CE1-CD1 3.42Å; F173-I207 HydrophobicContact CZ-CD1 4.28Å
174V87.8Confident83.8Confident6 Ų678.8 Ų78.84%0.03644%0.441CS..EExtended strand (participates in β ladder)trans-107.8127172.3177.90000109.5M151 K152 V154 A160 F162 T165 L176M151-V174 CarbonylContact C-O 3.49Å; M151-V174 WeakPolarHBondContact CA-O 3.26Å; M151-V174 WeakPolarHBondContact CB-O 3.34Å; K152-V174 PolarHBondContact N-O 2.97Å; K152-V174 PolarHBondContact O-N 3.06Å; V154-V174 HydrophobicContact CG2-CB 4.45Å; V154-V174 HydrophobicContact CG2-CG2 3.41Å; V154-V174 VanDerWaalsContact CG2-CG2 3.41Å; A160-V174 HydrophobicContact CB-CG2 3.73Å; F162-V174 HydrophobicContact CB-CG1 3.48Å; F162-V174 VanDerWaalsContact CB-CG1 3.48Å; F162-V174 HydrophobicContact CD2-CG1 3.48Å; F162-V174 VanDerWaalsContact CD2-CG1 3.48Å; F162-V174 HydrophobicContact CE2-CG1 4.49Å; F162-V174 HydrophobicContact CG-CG1 3.78Å; T165-V174 HydrophobicContact CG2-CG2 3.86Å; V174-L176 PolarHBondContact O-N 3.06Å
175V88.2Confident84.2Confident37 Ų3782.4 Ų82.422%0.22446%0.463CS..EExtended strand (participates in β ladder)trans-74.7120.9175.5-174.70000109Q149 S164 I166Q149-V175 VanDerWaalsContact CD-CG1 3.5Å; Q149-V175 HydrophobicContact CG-CG1 4.03Å; S164-V175 PolarHBondContact O-N 2.84Å; I166-V175 HydrophobicContact CD1-CG2 3.3Å; I166-V175 HydrophobicContact CG1-CG2 3.79Å
176L89.8Confident84.4Confident14 Ų1483.2 Ų83.27%0.07347%0.465CS..EExtended strand (participates in β ladder)trans-92.2147.8-179.6-59.6176.4000110.8Q149 W150 K152 F162 V174 T178 L193 Y206Q149-L176 PolarHBondContact NE2-O 3.22Å; W150-L176 HydrophobicContact CB-CB 4.04Å; W150-L176 HydrophobicContact CB-CD1 4.26Å; W150-L176 PolarHBondContact O-N 3.09Å; K152-L176 HydrophobicContact CB-CD1 4.22Å; K152-L176 HydrophobicContact CB-CD2 4.45Å; F162-L176 HydrophobicContact CD2-CD2 4.27Å; F162-L176 HydrophobicContact CE2-CD2 3.8Å; F162-L176 HydrophobicContact CZ-CD2 4.16Å; V174-L176 PolarHBondContact O-N 3.06Å; L176-T178 PolarHBondContact O-N 3.01Å; L176-T178 VanDerWaalsContact O-N 3.14Å; L176-L193 HydrophobicContact CB-CD1 4.43Å; L176-L193 HydrophobicContact CD1-CD1 4.28Å; L176-L193 HydrophobicContact CD1-CD2 3.61Å; L176-Y206 HydrophobicContact CD1-CD1 3.62Å; L176-Y206 HydrophobicContact CD1-CE1 3.52Å
177P85.1Confident84.7Confident98 Ų9880.6 Ų80.664%0.63646%0.456SS*.PPolyproline II helixtrans-57.7121.4172.2-2333.5000110.8
178T79.6Confident85.2Confident41 Ų4174.4 Ų74.425%0.25243%0.43SS..PPolyproline II helixtrans-89.9122.9176.9-55.30000109.2I148 Q149 W150 L176 N191I148-T178 WeakPolarHBondContact O-CG2 3.25Å; Q149-T178 PolarHBondContact NE2-OG1 2.84Å; Q149-T178 VanDerWaalsContact NE2-OG1 3.11Å; Q149-T178 PolarHBondContact OE1-OG1 3.43Å; W150-T178 PolarHBondContact N-OG1 2.85Å; L176-T178 PolarHBondContact O-N 3.01Å; L176-T178 VanDerWaalsContact O-N 3.14Å; T178-N191 VanDerWaalsContact CG2-ND2 3.34Å; T178-N191 WeakPolarHBondContact CG2-ND2 3.3Å
179G81.4Confident86.3Confident46 Ų4673.5 Ų73.547%0.47442%0.415SS..  trans-71.2-162.5175.800000113.5V181 N191G179-V181 PolarHBondContact O-N 2.85Å; G179-N191 PolarHBondContact O-ND2 2.99Å; G179-N191 VanDerWaalsContact O-ND2 3.14Å
180E88.2Confident87.1Confident133 Ų13371.8 Ų71.862%0.62139%0.388SS*.  trans-57.9137.5178.6-166.6-174.3178.300112.2W182 N191E180-W182 HydrophobicContact CB-CZ2 4.2Å; E180-W182 PolarHBondContact OE2-NE1 2.91Å; E180-N191 PolarHBondContact O-ND2 2.79Å
181V92.4Very high87.7Confident57 Ų5763.4 Ų63.435%0.34534%0.343SS..EExtended strand (participates in β ladder)trans-103.4111.6173.3-1800000108.7I148 G179 Y189 N191I148-V181 HydrophobicContact CB-CG2 4.43Å; I148-V181 HydrophobicContact CD1-CG1 3.93Å; G179-V181 PolarHBondContact O-N 2.85Å; V181-Y189 HydrophobicContact CG1-CD1 4.02Å; V181-N191 HydrophobicContact CG2-CB 4.31Å
182W93.3Very high88.4Confident106 Ų10663.3 Ų63.340%0.40234%0.342SS..EExtended strand (participates in β ladder)trans-82.5133.3175.9-56.9-71.1000110E180 Y189 L190 K192E180-W182 HydrophobicContact CB-CZ2 4.2Å; E180-W182 PolarHBondContact OE2-NE1 2.91Å; W182-Y189 CarbonylContact O-C 3.48Å; W182-Y189 VanDerWaalsContact O-CA 3.25Å; W182-Y189 WeakPolarHBondContact O-CA 3.18Å; W182-L190 HydrophobicContact CE3-CB 4.37Å; W182-L190 HydrophobicContact CE3-CD2 4.23Å; W182-L190 HydrophobicContact CE3-CG 4.06Å; W182-L190 VanDerWaalsContact CE3-O 3.31Å; W182-L190 PolarHBondContact N-O 3.35Å; W182-L190 PolarHBondContact O-N 2.66Å; W182-K192 HydrophobicContact CH2-CB 4.34Å; W182-K192 HydrophobicContact CH2-CG 4.49Å; W182-K192 HydrophobicContact CZ3-CB 4Å; W182-K192 HydrophobicContact CZ3-CD 4.23Å; W182-K192 HydrophobicContact CZ3-CG 3.86Å
183S93.3Very high88.9Confident83 Ų8359.7 Ų59.758%0.5833%0.329SS*.EExtended strand (participates in β ladder)trans-116.8148.3177.267.20000111.1S188 Y189S183-S188 CarbonylContact C-O 3.46Å; S183-Y189 VanDerWaalsContact CB-CE1 3.47Å
184R88.5Confident89.3Confident163 Ų16364.4 Ų64.462%0.61535%0.354SS*.  trans-118.2152.5176.8-70.5-177.1178.8176.5-2.1110.7D186 G187 S188R184-D186 WeakPolarHBondContact CB-OD1 3.09Å; R184-D186 PolarHBondContact O-N 3.16Å; R184-G187 PolarHBondContact O-N 2.87Å; R184-S188 WeakPolarHBondContact CB-OG 3.22Å; R184-S188 WeakPolarHBondContact CD-OG 3.5Å; R184-S188 PolarHBondContact N-O 3.14Å
185P78.4Confident89.6Confident148 Ų14864.7 Ų64.796%0.96136%0.355SS*.THydrogen-bonded Turntrans-60-17.8179.9-2534.7000115.1G187P185-G187 PolarHBondContact O-N 3.07Å
186D81.7Confident89.9Confident86 Ų8665.8 Ų65.846%0.4637%0.365SS..THydrogen-bonded Turntrans-80.72.9177.667.9-9.2000113.8R184 S188R184-D186 WeakPolarHBondContact CB-OD1 3.09Å; R184-D186 PolarHBondContact O-N 3.16Å; D186-S188 VanDerWaalsContact C-N 3.35Å; D186-S188 VanDerWaalsContact CG-OG 3.32Å; D186-S188 VanDerWaalsContact OD1-CB 3.3Å; D186-S188 WeakPolarHBondContact OD1-CB 3.44Å; D186-S188 PolarHBondContact OD1-N 2.85Å; D186-S188 PolarHBondContact OD1-OG 3.06Å; D186-S188 PolarHBondContact OD2-OG 2.82Å
187G85Confident90.2Very high20 Ų2074 Ų7421%0.20640%0.395CS..SBendtrans80.514.4-177.300000113.9S142 R184 P185S142-G187 PolarHBondContact N-O 3.48Å; R184-G187 PolarHBondContact O-N 2.87Å; P185-G187 PolarHBondContact O-N 3.07Å
188S92.3Very high90.6Very high20 Ų2069.4 Ų69.414%0.1437%0.365CS..EExtended strand (participates in β ladder)trans-91.9144.9171.368.80000112.2V140 S183 R184 D186V140-S188 CarbonylContact O-C 3.57Å; V140-S188 WeakPolarHBondContact O-CA 3.47Å; S183-S188 CarbonylContact C-O 3.46Å; R184-S188 WeakPolarHBondContact CB-OG 3.22Å; R184-S188 WeakPolarHBondContact CD-OG 3.5Å; R184-S188 PolarHBondContact N-O 3.14Å; D186-S188 VanDerWaalsContact C-N 3.35Å; D186-S188 VanDerWaalsContact CG-OG 3.32Å; D186-S188 VanDerWaalsContact OD1-CB 3.3Å; D186-S188 WeakPolarHBondContact OD1-CB 3.44Å; D186-S188 PolarHBondContact OD1-N 2.85Å; D186-S188 PolarHBondContact OD1-OG 3.06Å; D186-S188 PolarHBondContact OD2-OG 2.82Å
189Y94.8Very high91.3Very high37 Ų3770.9 Ų70.915%0.14537%0.369CS..EExtended strand (participates in β ladder)trans-126.5141.9-179.7-63.4-95000108.8K139 V140 K145 P146 V181 W182 S183K139-Y189 CarbonylContact C-O 3.57Å; K139-Y189 WeakPolarHBondContact CA-O 3.4Å; V140-Y189 PolarHBondContact N-O 2.65Å; V140-Y189 PolarHBondContact O-N 3.26Å; K145-Y189 HydrophobicContact CG-CE1 4.38Å; P146-Y189 HydrophobicContact CG-CD1 4.25Å; P146-Y189 HydrophobicContact CG-CD2 3.6Å; P146-Y189 HydrophobicContact CG-CE1 4.48Å; P146-Y189 HydrophobicContact CG-CE2 3.88Å; P146-Y189 HydrophobicContact CG-CG 3.82Å; V181-Y189 HydrophobicContact CG1-CD1 4.02Å; W182-Y189 CarbonylContact O-C 3.48Å; W182-Y189 VanDerWaalsContact O-CA 3.25Å; W182-Y189 WeakPolarHBondContact O-CA 3.18Å; S183-Y189 VanDerWaalsContact CB-CE1 3.47Å
190L95.1Very high91.8Very high35 Ų3573.6 Ų73.618%0.18337%0.369CS..EExtended strand (participates in β ladder)trans-129.5133.7176.6176.467.9000108.7Q137 C138 K139 W182Q137-L190 HydrophobicContact CB-CD1 4.21Å; C138-L190 WeakPolarHBondContact O-CA 3.27Å; K139-L190 HydrophobicContact CG-CD1 3.61Å; W182-L190 HydrophobicContact CE3-CB 4.37Å; W182-L190 HydrophobicContact CE3-CD2 4.23Å; W182-L190 HydrophobicContact CE3-CG 4.06Å; W182-L190 VanDerWaalsContact CE3-O 3.31Å; W182-L190 PolarHBondContact N-O 3.35Å; W182-L190 PolarHBondContact O-N 2.66Å
191N95.7Very high91.9Very high0 Ų072.4 Ų72.40%037%0.367CS..EExtended strand (participates in β ladder)trans-130.6149.8165.9-178.2-92.5000109.6C138 I148 W150 T178 G179 E180 V181C138-N191 PolarHBondContact N-O 3.46Å; C138-N191 PolarHBondContact O-N 2.72Å; I148-N191 HydrophobicContact CB-CB 4.47Å; I148-N191 HydrophobicContact CD1-CB 4.39Å; I148-N191 HydrophobicContact CG2-CB 3.88Å; W150-N191 VanDerWaalsContact CD1-OD1 3.27Å; W150-N191 PolarHBondContact NE1-OD1 2.93Å; T178-N191 VanDerWaalsContact CG2-ND2 3.34Å; T178-N191 WeakPolarHBondContact CG2-ND2 3.3Å; G179-N191 PolarHBondContact O-ND2 2.99Å; G179-N191 VanDerWaalsContact O-ND2 3.14Å; E180-N191 PolarHBondContact O-ND2 2.79Å; V181-N191 HydrophobicContact CG2-CB 4.31Å
192K94.7Very high91.9Very high88 Ų8870.6 Ų70.638%0.38336%0.356SS..EExtended strand (participates in β ladder)trans-125.8127.3176.7-67.9-175.6-178.8-178.40110F136 Q137 W182F136-K192 CarbonylContact O-C 3.54Å; F136-K192 VanDerWaalsContact O-CA 3.23Å; F136-K192 WeakPolarHBondContact O-CA 3.45Å; Q137-K192 HydrophobicContact CB-CG 4.43Å; Q137-K192 HydrophobicContact CG-CD 4.41Å; Q137-K192 HydrophobicContact CG-CG 4.11Å; W182-K192 HydrophobicContact CH2-CB 4.34Å; W182-K192 HydrophobicContact CH2-CG 4.49Å; W182-K192 HydrophobicContact CZ3-CB 4Å; W182-K192 HydrophobicContact CZ3-CD 4.23Å; W182-K192 HydrophobicContact CZ3-CG 3.86Å
193L95.2Very high91.9Very high17 Ų1766.8 Ų66.89%0.08935%0.346CS..EExtended strand (participates in β ladder)trans-92.6118.2169.7176.665.9000108.4S135 F136 W150 L176 I195 Y206S135-L193 CarbonylContact C-O 3.53Å; S135-L193 WeakPolarHBondContact CA-O 3.4Å; S135-L193 VanDerWaalsContact CB-O 3.31Å; S135-L193 WeakPolarHBondContact CB-O 3.45Å; F136-L193 HydrophobicContact CB-CB 4.45Å; F136-L193 HydrophobicContact CD2-CD2 4.38Å; F136-L193 PolarHBondContact N-O 3.03Å; F136-L193 PolarHBondContact O-N 2.57Å; W150-L193 HydrophobicContact CB-CD1 4.46Å; W150-L193 HydrophobicContact CB-CD2 4.07Å; W150-L193 HydrophobicContact CD2-CB 3.75Å; W150-L193 HydrophobicContact CD2-CD2 3.89Å; W150-L193 HydrophobicContact CD2-CG 4.4Å; W150-L193 HydrophobicContact CE3-CB 4.39Å; W150-L193 HydrophobicContact CE3-CD2 3.97Å; W150-L193 HydrophobicContact CG-CB 3.88Å; W150-L193 HydrophobicContact CG-CD1 4.39Å; W150-L193 HydrophobicContact CG-CD2 3.94Å; W150-L193 HydrophobicContact CG-CG 4.3Å; W150-L193 HydrophobicContact CZ2-CB 4.14Å; L176-L193 HydrophobicContact CB-CD1 4.43Å; L176-L193 HydrophobicContact CD1-CD1 4.28Å; L176-L193 HydrophobicContact CD1-CD2 3.61Å; L193-I195 HydrophobicContact CG-CG1 4.48Å; L193-Y206 HydrophobicContact CD2-CD1 3.57Å; L193-Y206 HydrophobicContact CD2-CE1 3.9Å
194L94.8Very high91.9Very high117 Ų11762.9 Ų62.961%0.61332%0.319SS*.EExtended strand (participates in β ladder)trans-93.8127.9176.7-175.170.2000109.8T133T133-L194 HydrophobicContact CG2-CD1 3.72Å; T133-L194 HydrophobicContact CG2-CG 4.39Å
195I94.3Very high92.2Very high12 Ų1257.5 Ų57.56%0.06230%0.302CS..EExtended strand (participates in β ladder)trans-113.8111.7173.6-56.2178000106.5T133 T134 F136 L193 A198 D202 Y206 L223T133-I195 CarbonylContact C-O 3.47Å; T133-I195 VanDerWaalsContact CA-O 3.28Å; T133-I195 WeakPolarHBondContact CA-O 3.48Å; T133-I195 WeakPolarHBondContact CG2-O 3.33Å; T134-I195 HydrophobicContact CG2-CB 4.18Å; T134-I195 PolarHBondContact N-O 3.24Å; T134-I195 PolarHBondContact O-N 3.28Å; T134-I195 VanDerWaalsContact O-O 3.14Å; F136-I195 HydrophobicContact CD2-CD1 4.01Å; F136-I195 HydrophobicContact CE2-CD1 3.77Å; L193-I195 HydrophobicContact CG-CG1 4.48Å; I195-A198 HydrophobicContact CG2-CB 4.35Å; I195-D202 HydrophobicContact CG2-CB 4.42Å; I195-Y206 HydrophobicContact CD1-CD1 4.49Å; I195-Y206 HydrophobicContact CD1-CE1 3.85Å; I195-Y206 HydrophobicContact CD1-CE2 4.1Å; I195-L223 HydrophobicContact CD1-CD2 3.71Å; I195-L223 HydrophobicContact CG2-CD2 4.3Å
196S94.8Very high93Very high60 Ų6050.9 Ų50.942%0.4226%0.258SS..  trans-115.6141.1-174.463.20000110.9
197R94.9Very high93.6Very high188 Ų18847.6 Ų47.671%0.70924%0.24SC*.SBendtrans52.355.5-174.3-60.5-173.3-63.6-90.2-1.6111.6G131 G132 Q199G131-R197 WeakPolarHBondContact O-CA 3.25Å; G132-R197 WeakPolarHBondContact O-CA 3.44Å; G132-R197 PolarHBondContact O-N 2.92Å; G132-R197 VanDerWaalsContact O-N 3.07Å; R197-Q199 PolarHBondContact O-N 3.05Å
198A95.2Very high94.2Very high0 Ų046.6 Ų46.60%023%0.23CC..  trans-54.6127-174.200000111.9V128 G131 G132 I195 D202 V225V128-A198 HydrophobicContact CG1-CB 3.69Å; G131-A198 PolarHBondContact N-O 3.07Å; G132-A198 PolarHBondContact O-N 3.42Å; I195-A198 HydrophobicContact CG2-CB 4.35Å; A198-D202 WeakPolarHBondContact CA-OD2 3.36Å; A198-V225 HydrophobicContact CB-CG1 4.43Å; A198-V225 HydrophobicContact CB-CG2 4.29Å
199Q93.9Very high94.2Very high73 Ų7347.6 Ų47.634%0.34123%0.233SC..  trans-106.7168.5175.4-56.9-170.2-72.600110.5Y130 R197 D201 D202 V225Y130-Q199 HydrophobicContact CE2-CB 4.42Å; R197-Q199 PolarHBondContact O-N 3.05Å; Q199-D201 PolarHBondContact O-N 2.9Å; Q199-D202 PolarHBondContact N-OD2 2.61Å; Q199-D202 WeakPolarHBondContact O-CB 3.43Å; Q199-D202 PolarHBondContact O-N 3Å; Q199-V225 WeakPolarHBondContact O-CG2 3.24Å
200Q91.3Very high94.2Very high102 Ų10245.8 Ų45.848%0.47723%0.226SC..G310 helixtrans-57.2-40179.6-162.764.726.900111.9D202 A203Q200-D202 PolarHBondContact O-N 2.82Å; Q200-A203 WeakPolarHBondContact O-CB 3.42Å; Q200-A203 PolarHBondContact O-N 2.96Å
201D89.8Confident94Very high108 Ų10845.5 Ų45.558%0.57823%0.229SC*.G310 helixtrans-72.6-10.9-179.6-50.9-13.1000113.4K152 Q199 A203K152-D201 PolarHBondContact NZ-O 2.87Å; Q199-D201 PolarHBondContact O-N 2.9Å; D201-A203 VanDerWaalsContact C-N 3.27Å
202D92.6Very high93.7Very high20 Ų2046.6 Ų46.611%0.10724%0.235CC..G310 helixtrans-77.3-18.2170.8-63.7-40.9000111K152 R161 I195 A198 Q199 Q200 Y206 L223K152-D202 WeakPolarHBondContact CE-O 3.36Å; R161-D202 IonicContact NH1-OD1 3.89Å; R161-D202 PolarHBondContact NH1-OD1 3.2Å; I195-D202 HydrophobicContact CG2-CB 4.42Å; A198-D202 WeakPolarHBondContact CA-OD2 3.36Å; Q199-D202 PolarHBondContact N-OD2 2.61Å; Q199-D202 WeakPolarHBondContact O-CB 3.43Å; Q199-D202 PolarHBondContact O-N 3Å; Q200-D202 PolarHBondContact O-N 2.82Å; D202-Y206 VanDerWaalsContact O-CE2 3.3Å; D202-Y206 WeakPolarHBondContact O-CE2 3.29Å; D202-Y206 PolarHBondContact O-OH 3.4Å; D202-L223 HydrophobicContact CB-CD2 4.21Å; D202-L223 WeakPolarHBondContact O-CD2 3.42Å
203A93.6Very high93.2Very high25 Ų2546.9 Ų46.921%0.20725%0.248CC..  trans-59.7149.2175.100000111.4K152 Q200 D201 L223 V225K152-A203 WeakPolarHBondContact CE-O 3.46Å; K152-A203 PolarHBondContact NZ-O 2.92Å; Q200-A203 WeakPolarHBondContact O-CB 3.42Å; Q200-A203 PolarHBondContact O-N 2.96Å; D201-A203 VanDerWaalsContact C-N 3.27Å; A203-L223 WeakPolarHBondContact CA-O 3.29Å; A203-V225 HydrophobicContact CB-CB 4.47Å; A203-V225 HydrophobicContact CB-CG2 4.14Å
204G94.4Very high92.8Very high1 Ų152.2 Ų52.21%0.0127%0.27CS..EExtended strand (participates in β ladder)trans136-167.9177.700000114.1Y222 L223G204-Y222 WeakPolarHBondContact O-CA 3.3Å; G204-L223 PolarHBondContact N-O 3.21Å; G204-L223 VanDerWaalsContact N-O 3.1Å; G204-L223 PolarHBondContact O-N 2.82Å
205M94.2Very high92.2Very high51 Ų5147.4 Ų47.425%0.25125%0.249SC..EExtended strand (participates in β ladder)trans-90.2122-175.4-170178-63.300111.8K152 R153 Y222K152-M205 WeakPolarHBondContact CA-O 3.27Å; R153-M205 HydrophobicContact CB-CB 4.12Å; R153-M205 PolarHBondContact N-O 2.84Å; M205-Y222 HydrophobicContact CB-CD2 4.02Å; M205-Y222 HydrophobicContact CB-CE2 4.04Å; M205-Y222 HydrophobicContact CE-CD2 4.32Å; M205-Y222 HydrophobicContact CE-CE2 4.4Å
206Y95.4Very high92Very high9 Ų951.5 Ų51.54%0.03526%0.264CS..EExtended strand (participates in β ladder)trans-105.9139.8173.4-71.3-100.8000110.1F136 M151 K152 L176 L193 I195 D202 S220 A221 L223F136-Y206 HydrophobicContact CD2-CD1 4.41Å; F136-Y206 HydrophobicContact CD2-CD2 4.46Å; F136-Y206 HydrophobicContact CD2-CG 4.08Å; F136-Y206 HydrophobicContact CE2-CD1 4.26Å; F136-Y206 AromaticContact CE2-CD2 3.59Å; F136-Y206 HydrophobicContact CE2-CD2 3.59Å; F136-Y206 HydrophobicContact CE2-CE2 4.18Å; F136-Y206 AromaticContact CE2-CG 3.64Å; F136-Y206 HydrophobicContact CE2-CG 3.64Å; F136-Y206 HydrophobicContact CZ-CD2 4.22Å; M151-Y206 CarbonylContact O-C 3.51Å; M151-Y206 WeakPolarHBondContact O-CA 3.3Å; K152-Y206 HydrophobicContact CB-CD1 4.3Å; K152-Y206 HydrophobicContact CB-CE1 4.15Å; K152-Y206 HydrophobicContact CD-CE1 4.41Å; K152-Y206 HydrophobicContact CD-CE2 4.39Å; K152-Y206 HydrophobicContact CG-CD1 4.35Å; K152-Y206 HydrophobicContact CG-CD2 4.45Å; K152-Y206 HydrophobicContact CG-CE1 4.05Å; K152-Y206 HydrophobicContact CG-CE2 4.12Å; L176-Y206 HydrophobicContact CD1-CD1 3.62Å; L176-Y206 HydrophobicContact CD1-CE1 3.52Å; L193-Y206 HydrophobicContact CD2-CD1 3.57Å; L193-Y206 HydrophobicContact CD2-CE1 3.9Å; I195-Y206 HydrophobicContact CD1-CD1 4.49Å; I195-Y206 HydrophobicContact CD1-CE1 3.85Å; I195-Y206 HydrophobicContact CD1-CE2 4.1Å; D202-Y206 VanDerWaalsContact O-CE2 3.3Å; D202-Y206 WeakPolarHBondContact O-CE2 3.29Å; D202-Y206 PolarHBondContact O-OH 3.4Å; Y206-S220 CarbonylContact O-C 3.49Å; Y206-S220 WeakPolarHBondContact O-CA 3.2Å; Y206-A221 PolarHBondContact N-O 2.96Å; Y206-A221 PolarHBondContact O-N 3.43Å; Y206-L223 HydrophobicContact CD2-CB 4Å; Y206-L223 HydrophobicContact CE2-CB 3.72Å; Y206-L223 HydrophobicContact CE2-CD2 4.02Å
207I94.8Very high91.7Very high16 Ų1649.7 Ų49.78%0.08225%0.252CS..EExtended strand (participates in β ladder)trans-124131-179.4-56.3164000108.7W150 M151 F173 F218 R219W150-I207 WeakPolarHBondContact CA-O 3.22Å; M151-I207 HydrophobicContact CG-CB 3.57Å; M151-I207 HydrophobicContact CG-CD1 4.16Å; M151-I207 HydrophobicContact CG-CG1 4.33Å; M151-I207 HydrophobicContact CG-CG2 4.2Å; M151-I207 PolarHBondContact N-O 2.93Å; M151-I207 PolarHBondContact O-N 3.35Å; M151-I207 HydrophobicContact SD-CB 4.13Å; M151-I207 HydrophobicContact SD-CD1 4.03Å; M151-I207 HydrophobicContact SD-CG2 4.23Å; F173-I207 HydrophobicContact CD1-CD1 3.91Å; F173-I207 HydrophobicContact CE1-CD1 3.42Å; F173-I207 VanDerWaalsContact CE1-CD1 3.42Å; F173-I207 HydrophobicContact CZ-CD1 4.28Å; I207-F218 HydrophobicContact CG2-CB 3.91Å; I207-F218 HydrophobicContact CG2-CD2 4.1Å; I207-F218 HydrophobicContact CG2-CG 4.4Å; I207-R219 WeakPolarHBondContact CA-O 3.35Å
208C95.9Very high91.6Very high0 Ų046.8 Ų46.80%025%0.245CC..EExtended strand (participates in β ladder)trans-94.8127.2162.7178.60000109.9L118 C138 W150 F218 R219L118-C208 HydrophobicContact CD2-CB 4.44Å; C138-C208 HydrophobicContact CB-CB 3.58Å; C138-C208 WeakPolarHBondContact CB-SG 3.37Å; C138-C208 WeakPolarHBondContact SG-CB 3.44Å; C138-C208 CovalentContact SG-SG 2Å; C138-C208 PolarHBondContact SG-SG 2.8Å; W150-C208 HydrophobicContact CD2-CB 4.31Å; W150-C208 HydrophobicContact CE3-CB 3.98Å; W150-C208 HydrophobicContact CH2-CB 3.71Å; W150-C208 HydrophobicContact CZ2-CB 4.08Å; W150-C208 HydrophobicContact CZ3-CB 3.67Å; C208-F218 CarbonylContact O-C 3.59Å; C208-F218 WeakPolarHBondContact O-CA 3.25Å; C208-F218 WeakPolarHBondContact O-CB 3.49Å; C208-R219 PolarHBondContact N-O 3.31Å; C208-R219 PolarHBondContact O-N 3.05Å
209L93.6Very high91.6Very high40 Ų4051.7 Ų51.721%0.20926%0.263CS..EExtended strand (participates in β ladder)trans-109.6128.5173.7-178.771.8000109.9I148 Q149 M151 Y216 F218I148-L209 CarbonylContact C-O 3.57Å; I148-L209 VanDerWaalsContact CA-O 3.31Å; I148-L209 WeakPolarHBondContact CA-O 3.46Å; Q149-L209 HydrophobicContact CB-CB 4.5Å; Q149-L209 PolarHBondContact N-O 2.9Å; Q149-L209 PolarHBondContact O-N 2.95Å; M151-L209 HydrophobicContact CE-CB 4.25Å; M151-L209 HydrophobicContact CE-CD2 4.06Å; L209-Y216 HydrophobicContact CD1-CD2 3.65Å; L209-Y216 HydrophobicContact CD1-CG 4.11Å; L209-F218 HydrophobicContact CD1-CB 4Å
210G93.8Very high91.6Very high0 Ų050.8 Ų50.80%027%0.265CS..EExtended strand (participates in β ladder)trans-115.4118.9168.500000110.4V147 Y216 S217V147-G210 CarbonylContact O-C 3.43Å; V147-G210 WeakPolarHBondContact O-CA 3.34Å; G210-Y216 CarbonylContact O-C 3.54Å; G210-Y216 VanDerWaalsContact O-CA 3.28Å; G210-Y216 WeakPolarHBondContact O-CA 2.96Å; G210-S217 PolarHBondContact N-O 2.78Å; G210-S217 PolarHBondContact O-N 2.79Å
211A90.6Very high91.8Very high28 Ų2846 Ų4623%0.23124%0.243CC..EExtended strand (participates in β ladder)trans-125.3145.1-176.900000112.5P146 V147 G215P146-A211 CarbonylContact C-O 3.5Å; P146-A211 WeakPolarHBondContact CA-O 3.13Å; P146-A211 WeakPolarHBondContact CB-O 3.39Å; V147-A211 PolarHBondContact N-O 2.83Å; V147-A211 PolarHBondContact O-N 2.93Å; A211-G215 WeakPolarHBondContact CA-O 3.01Å
212N89.5Confident92.2Very high23 Ų2345.6 Ų45.612%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-141-174.616972.216.3000109.8S114 P116 S142 V144 K214 G215S114-N212 PolarHBondContact O-ND2 2.81Å; P116-N212 VanDerWaalsContact CD-CG 3.42Å; P116-N212 WeakPolarHBondContact CD-ND2 3.46Å; P116-N212 HydrophobicContact CG-CB 3.8Å; S142-N212 PolarHBondContact OG-ND2 2.94Å; V144-N212 HydrophobicContact CB-CB 4.38Å; V144-N212 HydrophobicContact CG1-CB 4.44Å; N212-K214 PolarHBondContact O-N 2.82Å; N212-K214 WeakPolarHBondContact OD1-CA 3.4Å; N212-K214 WeakPolarHBondContact OD1-CB 3.27Å; N212-K214 PolarHBondContact OD1-N 2.59Å; N212-G215 PolarHBondContact N-O 2.81Å; N212-G215 PolarHBondContact O-N 2.82Å; N212-G215 VanDerWaalsContact O-N 3.12Å; N212-G215 PolarHBondContact OD1-N 2.82Å; N212-G215 PolarHBondContact OD1-O 3.25Å
213S84.7Confident92.4Very high95 Ų9544.6 Ų44.666%0.66423%0.229SC*.THydrogen-bonded Turntrans-64.6-7.7-17958.40000115.4
214K86.5Confident92.6Very high128 Ų12846.5 Ų46.556%0.55724%0.238SC*.THydrogen-bonded Turntrans-105-4.1177.1-59.2-53.8-178.5-176.60113.7I113 N212I113-K214 HydrophobicContact CB-CG 4.45Å; I113-K214 HydrophobicContact CG2-CG 3.72Å; N212-K214 PolarHBondContact O-N 2.82Å; N212-K214 WeakPolarHBondContact OD1-CA 3.4Å; N212-K214 WeakPolarHBondContact OD1-CB 3.27Å; N212-K214 PolarHBondContact OD1-N 2.59Å
215G82.8Confident92.7Very high16 Ų1646.8 Ų46.817%0.16524%0.239CC..EExtended strand (participates in β ladder)trans135-160.2177.600000111.9P116 A211 N212P116-G215 WeakPolarHBondContact CD-O 3.49Å; A211-G215 WeakPolarHBondContact CA-O 3.01Å; N212-G215 PolarHBondContact N-O 2.81Å; N212-G215 PolarHBondContact O-N 2.82Å; N212-G215 VanDerWaalsContact O-N 3.12Å; N212-G215 PolarHBondContact OD1-N 2.82Å; N212-G215 PolarHBondContact OD1-O 3.25Å
216Y89Confident92.7Very high98 Ų9847.8 Ų47.838%0.38425%0.245SC..EExtended strand (participates in β ladder)trans-138.6158-173.266-86.2000112.3K115 L209 G210 F218 Y314K115-Y216 WeakPolarHBondContact CD-O 3.28Å; L209-Y216 HydrophobicContact CD1-CD2 3.65Å; L209-Y216 HydrophobicContact CD1-CG 4.11Å; G210-Y216 CarbonylContact O-C 3.54Å; G210-Y216 VanDerWaalsContact O-CA 3.28Å; G210-Y216 WeakPolarHBondContact O-CA 2.96Å; Y216-F218 HydrophobicContact CD2-CD1 4.26Å; Y216-F218 HydrophobicContact CE2-CD1 4.1Å; Y216-F218 HydrophobicContact CE2-CE1 4.36Å; Y216-Y314 HydrophobicContact CE1-CE2 4.2Å
217S89.1Confident92.6Very high22 Ų2251.6 Ų51.615%0.15427%0.271CS..EExtended strand (participates in β ladder)trans-136.7151.9169.3-62.50000108.6P116 L118 G210P116-S217 WeakPolarHBondContact O-CB 3.43Å; P116-S217 PolarHBondContact O-OG 2.75Å; L118-S217 VanDerWaalsContact CD1-CB 3.48Å; L118-S217 WeakPolarHBondContact CD1-O 3.26Å; G210-S217 PolarHBondContact N-O 2.78Å; G210-S217 PolarHBondContact O-N 2.79Å
218F93.2Very high92.2Very high128 Ų12853.4 Ų53.456%0.56128%0.281SS*.EExtended strand (participates in β ladder)trans-141.9162.1-179.766.6-87.4000111.7I207 C208 L209 Y216I207-F218 HydrophobicContact CG2-CB 3.91Å; I207-F218 HydrophobicContact CG2-CD2 4.1Å; I207-F218 HydrophobicContact CG2-CG 4.4Å; C208-F218 CarbonylContact O-C 3.59Å; C208-F218 WeakPolarHBondContact O-CA 3.25Å; C208-F218 WeakPolarHBondContact O-CB 3.49Å; L209-F218 HydrophobicContact CD1-CB 4Å; Y216-F218 HydrophobicContact CD2-CD1 4.26Å; Y216-F218 HydrophobicContact CE2-CD1 4.1Å; Y216-F218 HydrophobicContact CE2-CE1 4.36Å
219R94.4Very high91.1Very high102 Ų10263.4 Ų63.439%0.38532%0.319SS..EExtended strand (participates in β ladder)trans-149.3142.6170-172.4-174.9-57.4-104.1-0.9109.4L118 H122 I207 C208L118-R219 HydrophobicContact CD2-CB 3.53Å; H122-R219 VanDerWaalsContact O-CD 3.27Å; H122-R219 WeakPolarHBondContact O-CD 3.27Å; I207-R219 WeakPolarHBondContact CA-O 3.35Å; C208-R219 PolarHBondContact N-O 3.31Å; C208-R219 PolarHBondContact O-N 3.05Å
220S94.5Very high89.9Confident55 Ų5570.7 Ų70.739%0.38535%0.349SS..EExtended strand (participates in β ladder)trans-106157.8179.757.60000112.8Y206Y206-S220 CarbonylContact O-C 3.49Å; Y206-S220 WeakPolarHBondContact O-CA 3.2Å
221A96.4Very high88.2Confident2 Ų274.6 Ų74.62%0.01738%0.376CS..EExtended strand (participates in β ladder)trans-147.3152.4167.600000110P123 N125 F136 Y206P123-A221 HydrophobicContact CB-CB 3.61Å; P123-A221 HydrophobicContact CG-CB 3.83Å; N125-A221 WeakPolarHBondContact OD1-CA 3.3Å; F136-A221 HydrophobicContact CD1-CB 4.16Å; F136-A221 HydrophobicContact CE1-CB 3.78Å; F136-A221 HydrophobicContact CZ-CB 4.44Å; Y206-A221 PolarHBondContact N-O 2.96Å; Y206-A221 PolarHBondContact O-N 3.43Å
222Y97.2Very high86.5Confident98 Ų9880 Ų8038%0.38440%0.396SS..EExtended strand (participates in β ladder)trans-97.9136.7178.7-140.1-90.8000111.4N125 T126 G204 M205N125-Y222 WeakPolarHBondContact CA-O 3.22Å; N125-Y222 PolarHBondContact OD1-N 3.36Å; T126-Y222 PolarHBondContact N-O 2.91Å; G204-Y222 WeakPolarHBondContact O-CA 3.3Å; M205-Y222 HydrophobicContact CB-CD2 4.02Å; M205-Y222 HydrophobicContact CB-CE2 4.04Å; M205-Y222 HydrophobicContact CE-CD2 4.32Å; M205-Y222 HydrophobicContact CE-CE2 4.4Å
223L97.6Very high84.8Confident0 Ų084.1 Ų84.10%042%0.424CS..EExtended strand (participates in β ladder)trans-99.2125.5167.4-174.770.4000109.7T126 V128 T134 F136 I195 D202 A203 G204 Y206 V225T126-L223 HydrophobicContact CG2-CD1 4.44Å; T126-L223 WeakPolarHBondContact O-CA 3.43Å; V128-L223 HydrophobicContact CG1-CD1 4Å; T134-L223 HydrophobicContact CG2-CD1 3.78Å; F136-L223 HydrophobicContact CE2-CB 4.2Å; F136-L223 HydrophobicContact CE2-CD1 4.44Å; F136-L223 HydrophobicContact CZ-CB 3.94Å; F136-L223 HydrophobicContact CZ-CD1 4.19Å; I195-L223 HydrophobicContact CD1-CD2 3.71Å; I195-L223 HydrophobicContact CG2-CD2 4.3Å; D202-L223 HydrophobicContact CB-CD2 4.21Å; D202-L223 WeakPolarHBondContact O-CD2 3.42Å; A203-L223 WeakPolarHBondContact CA-O 3.29Å; G204-L223 PolarHBondContact N-O 3.21Å; G204-L223 VanDerWaalsContact N-O 3.1Å; G204-L223 PolarHBondContact O-N 2.82Å; Y206-L223 HydrophobicContact CD2-CB 4Å; Y206-L223 HydrophobicContact CE2-CB 3.72Å; Y206-L223 HydrophobicContact CE2-CD2 4.02Å; L223-V225 HydrophobicContact CD2-CG2 4.04Å; L223-V225 HydrophobicContact CG-CG2 4.2Å
224T96.7Very high83.4Confident64 Ų6485.3 Ų85.339%0.39343%0.433SS..EExtended strand (participates in β ladder)trans-107.9124.9170-54.90000109.2T126 T127 V128T126-T224 PolarHBondContact O-N 2Å; T127-T224 CarbonylContact C-O 3.55Å; T127-T224 VanDerWaalsContact CA-O 3.27Å; T127-T224 WeakPolarHBondContact CA-O 3.39Å; T127-T224 HydrophobicContact CG2-CG2 4.18Å; V128-T224 PolarHBondContact N-O 3.07Å
225V96.9Very high81.8Confident7 Ų783.3 Ų83.34%0.04244%0.435CS..EExtended strand (participates in β ladder)trans-104.9119.9174.6-175.50000108.6V128 A198 Q199 A203 L223V128-V225 HydrophobicContact CG1-CG2 3.99Å; V128-V225 CarbonylContact O-C 3.58Å; V128-V225 VanDerWaalsContact O-CA 3.31Å; V128-V225 WeakPolarHBondContact O-CA 3.49Å; A198-V225 HydrophobicContact CB-CG1 4.43Å; A198-V225 HydrophobicContact CB-CG2 4.29Å; Q199-V225 WeakPolarHBondContact O-CG2 3.24Å; A203-V225 HydrophobicContact CB-CB 4.47Å; A203-V225 HydrophobicContact CB-CG2 4.14Å; L223-V225 HydrophobicContact CD2-CG2 4.04Å; L223-V225 HydrophobicContact CG-CG2 4.2Å
226L95Very high80.5Confident73 Ų7389.2 Ų89.238%0.38247%0.468SS..EExtended strand (participates in β ladder)trans-78.3141.2176-59.2176.6000109.4T127 V128 D129 Y130T127-L226 HydrophobicContact CG2-CD1 3.81Å; T127-L226 HydrophobicContact CG2-CD2 3.86Å; T127-L226 HydrophobicContact CG2-CG 3.61Å; V128-L226 PolarHBondContact O-N 2.94Å; D129-L226 WeakPolarHBondContact OD1-CD1 3.28Å; Y130-L226 VanDerWaalsContact CB-O 3.3Å; Y130-L226 WeakPolarHBondContact CB-O 3.44Å; Y130-L226 PolarHBondContact N-O 3.17Å
227P91.8Very high78.5Confident88 Ų8889 Ų8957%0.57148%0.478SS*.PPolyproline II helixtrans-63.4155.8-176.224.3-33000112.8R229P227-R229 PolarHBondContact O-N 3.11Å
228D86.9Confident76.8Confident55 Ų5595.9 Ų95.929%0.29451%0.51SS..PPolyproline II helixtrans-64.9120.8176.9-174.1-4.5000110.2Y130 K230 S231 Q232Y130-D228 HydrophobicContact CD1-CB 3.69Å; Y130-D228 HydrophobicContact CE1-CB 4.33Å; Y130-D228 HydrophobicContact CG-CB 3.95Å; D228-K230 PolarHBondContact O-N 3.42Å; D228-K230 VanDerWaalsContact O-N 3.07Å; D228-K230 WeakPolarHBondContact OD1-CB 3.17Å; D228-K230 PolarHBondContact OD1-N 3.33Å; D228-S231 WeakPolarHBondContact O-CB 3.34Å; D228-S231 PolarHBondContact O-N 3.02Å; D228-S231 PolarHBondContact O-OG 3.42Å; D228-Q232 PolarHBondContact O-N 2.8Å
229R73.8Confident74.7Confident210 Ų21095.5 Ų95.579%0.79252%0.518SS*.THydrogen-bonded Turntrans-56-24.6175.1-73.5-173.2-177.2-170.61.3112.9P227P227-R229 PolarHBondContact O-N 3.11Å
230K67.1Low72.8Confident193 Ų19395.9 Ų95.984%0.83953%0.532SS*.THydrogen-bonded Turntrans-77.6-20.5175.5-62.8-178.4-178.8178.70113.7D228D228-K230 PolarHBondContact O-N 3.42Å; D228-K230 VanDerWaalsContact O-N 3.07Å; D228-K230 WeakPolarHBondContact OD1-CB 3.17Å; D228-K230 PolarHBondContact OD1-N 3.33Å
231S58.4Low71Confident81 Ų8198.4 Ų98.457%0.56655%0.546SS*.THydrogen-bonded Turntrans-88.4-10.3176.971.40000113.3D228 P233D228-S231 WeakPolarHBondContact O-CB 3.34Å; D228-S231 PolarHBondContact O-N 3.02Å; D228-S231 PolarHBondContact O-OG 3.42Å; S231-P233 WeakPolarHBondContact O-CD 3.42Å
232Q54.9Low69Low141 Ų141104.1 Ų104.166%0.65958%0.584SS**SBendtrans-75116.8175.2-155.9170.1400108.3D228 S234D228-Q232 PolarHBondContact O-N 2.8Å; Q232-S234 PolarHBondContact O-N 3.16Å
233P54.6Low66.9Low110 Ų110103 Ų10371%0.71460%0.601SS**  trans-58.8116.1-17920-29.1000109.4S231 S235S231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-S235 PolarHBondContact O-N 2.81Å
234S54.2Low65Low120 Ų120111.1 Ų111.184%0.83964%0.644SS**SBendtrans-71.173.7170.255.80000109Q232Q232-S234 PolarHBondContact O-N 3.16Å
235S54.2Low62.8Low87 Ų87113.3 Ų113.361%0.60866%0.659SS**  trans168.1105.2160.139.40000108.7P233 P237P233-S235 PolarHBondContact O-N 2.81Å; S235-P237 WeakPolarHBondContact O-CD 3.32Å
236V55Low60.3Low140 Ų140124.2 Ų124.285%0.84870%0.7SS**  trans-81.6110.6130.5-174.50000103.1M238V236-M238 PolarHBondContact O-N 2.89Å
237P47.7Very low57.9Low92 Ų92126 Ų12660%0.59772%0.716SS**  trans-59.2118.7165.225.7-28.7000105.3S235 V239S235-P237 WeakPolarHBondContact O-CD 3.32Å; P237-V239 PolarHBondContact O-N 3.34Å
238M51.4Low55.8Low167 Ų167127.8 Ų127.882%0.82373%0.725SS**  trans-59.795.8165.8-175.4174.1-178.700105.3V236 T240V236-M238 PolarHBondContact O-N 2.89Å; M238-T240 PolarHBondContact O-N 3.06Å
239V49.7Very low54Low121 Ų121132.7 Ų132.773%0.73375%0.749SS**  trans-64.597.2167.7177.40000104.2P237 P241P237-V239 PolarHBondContact O-N 3.34Å; V239-P241 WeakPolarHBondContact O-CD 3.25Å
240T55.5Low52.9Low110 Ų110129.1 Ų129.168%0.67575%0.745SS**  trans-58.4114.2162.226.40000105.9M238M238-T240 PolarHBondContact O-N 3.06Å
241P56.9Low51.9Low107 Ų107122.9 Ų122.970%0.69574%0.736SS**  trans-58.6139172.522.9-29.5000108V239 G243V239-P241 WeakPolarHBondContact O-CD 3.25Å; P241-G243 PolarHBondContact O-N 2.83Å
242P53.4Low51.4Low123 Ų123126.3 Ų126.380%0.79975%0.746SS**  trans-56.2134.9176.522.3-30.5000108.9L244P242-L244 PolarHBondContact O-N 3.31Å
243G54.3Low51Low73 Ų73124.8 Ų124.875%0.75375%0.748SS**  trans-45.8123.9-172.900000112.1P241P241-G243 PolarHBondContact O-N 2.83Å
244L55.6Low50.7Low171 Ų171125 Ų12590%0.89576%0.759SS**  trans-56.2130162-83.8145.2000107.9P242 W246P242-L244 PolarHBondContact O-N 3.31Å; L244-W246 PolarHBondContact O-N 2.02Å
245P51.9Low50.6Low111 Ų111121.9 Ų121.972%0.72175%0.746SS**  trans-63.2139.6169.628.3-30.9000108
246W43.1Very low50.7Low235 Ų235123.7 Ų123.789%0.8975%0.753SS**SBendtrans-11.9142.2168.8-6668.7000116.7L244 V248L244-W246 PolarHBondContact O-N 2.02Å; W246-V248 PolarHBondContact O-N 2.58Å
247P46.5Very low50.5Low112 Ų112121.5 Ų121.573%0.72775%0.75SS**  trans-64.2115.9-170.227.8-33.4000110.9I249P247-I249 PolarHBondContact O-N 2.79Å; P247-I249 VanDerWaalsContact O-N 3.15Å
248V46.4Very low50.7Low124 Ų124125.6 Ų125.675%0.75276%0.758SS**  trans-68.2107.6157-178.50000106W246 I250W246-V248 PolarHBondContact O-N 2.58Å; V248-I250 VanDerWaalsContact C-N 3.27Å; V248-I250 HydrophobicContact CB-CG1 4.49Å; V248-I250 HydrophobicContact CG1-CD1 4.37Å; V248-I250 HydrophobicContact CG1-CG1 3.75Å; V248-I250 PolarHBondContact O-N 3.12Å
249I50.4Low50.8Low158 Ų158124 Ų12481%0.8175%0.752SS**  trans-6691.7169.7-60.1173.3000106.8P247P247-I249 PolarHBondContact O-N 2.79Å; P247-I249 VanDerWaalsContact O-N 3.15Å
250I48.6Very low50.9Low135 Ų135124.8 Ų124.869%0.69275%0.751SS**  trans-89.5106163.8-56-178.4000105.9V248 I252V248-I250 VanDerWaalsContact C-N 3.27Å; V248-I250 HydrophobicContact CB-CG1 4.49Å; V248-I250 HydrophobicContact CG1-CD1 4.37Å; V248-I250 HydrophobicContact CG1-CG1 3.75Å; V248-I250 PolarHBondContact O-N 3.12Å; I250-I252 PolarHBondContact O-N 3.22Å; I250-I252 VanDerWaalsContact O-N 3.11Å
251G46.4Very low50.9Low63 Ų63121.5 Ų121.565%0.64974%0.739SS**  trans-58.5112.7171.200000109.8P253G251-P253 WeakPolarHBondContact O-CD 3.37Å
252I47.8Very low50.9Low152 Ų152120.9 Ų120.978%0.77973%0.734SS**  trans-80.4119.6169.6-59.4176.1000106.9I250 A254I250-I252 PolarHBondContact O-N 3.22Å; I250-I252 VanDerWaalsContact O-N 3.11Å; I252-A254 PolarHBondContact O-N 3.35Å
253P47.7Very low51.1Low110 Ų110117.8 Ų117.871%0.71472%0.718SS**  trans-66.6128.5169.526.5-29.8000108.8G251 G255G251-P253 WeakPolarHBondContact O-CD 3.37Å; P253-G255 PolarHBondContact O-N 3.29Å
254A48.5Very low51.2Low113 Ų113120.6 Ų120.693%0.93472%0.716SS**THydrogen-bonded Turntrans-68.246-173.200000115I252I252-A254 PolarHBondContact O-N 3.35Å
255G52.1Low51.2Low55 Ų55118.2 Ų118.257%0.56770%0.703SS**THydrogen-bonded Turntrans-108.7-17.1-172.600000116.8P253P253-G255 PolarHBondContact O-N 3.29Å
256V54.8Low51.3Low125 Ų125122.2 Ų122.276%0.75870%0.704SS**SBendtrans-110.8-10.1-166.3-169.80000114.1F258V256-F258 VanDerWaalsContact C-N 3.33Å; V256-F258 PolarHBondContact O-N 2.73Å
257A51.1Low51.7Low95 Ų95118.4 Ų118.479%0.78569%0.694SS**THydrogen-bonded Turntrans-81.1-6177.600000114.5
258F51.8Low51.7Low177 Ų177122.7 Ų122.778%0.77670%0.697SS**THydrogen-bonded Turntrans-94.2-9.5-173.8-122.4-89.7000115.3V256V256-F258 VanDerWaalsContact C-N 3.33Å; V256-F258 PolarHBondContact O-N 2.73Å
259I54.1Low51.9Low134 Ų134124.9 Ų124.969%0.68770%0.699SS**SBendtrans-98.2-22.6-176.5-58.9-177000112.9
260L52.1Low51.9Low137 Ų137121 Ų12172%0.71769%0.686SS**Hα-helixtrans-87.3-20.1178.5-71.2169.6000113.9
261G54.7Low51.8Low41 Ų41124.1 Ų124.142%0.42370%0.695SS.*Hα-helixtrans-78.2-27-178.900000115
262T58.3Low51.7Low94 Ų94126.7 Ų126.758%0.57770%0.702SS**Hα-helixtrans-83-25.4-177.3510000113.1
263A56.7Low51Low58 Ų58125.2 Ų125.248%0.47971%0.705SS.*Hα-helixtrans-73.3-32.1177.600000113.3F267A263-F267 PolarHBondContact O-N 3.4Å
264L56.4Low50.2Low133 Ų133126.8 Ų126.870%0.69672%0.716SS**Hα-helixtrans-76.3-28.3-179.7-78.8163.1000113.2Y268L264-Y268 PolarHBondContact O-N 3.21Å
265L56.7Low49.7Very low120 Ų120127.4 Ų127.463%0.62871%0.714SS**Hα-helixtrans-75.1-28.3176.1-83161.7000113.2
266W52.3Low48.8Very low195 Ų195128 Ų12874%0.73972%0.72SS**Hα-helixtrans-75.4-35.3176.4-159.579.7000112.6S270W266-S270 PolarHBondContact O-OG 2.86Å
267F51.4Low47.6Very low155 Ų155127.3 Ų127.368%0.6872%0.721SS**Hα-helixtrans-74.3-25176.1-95.4-82.3000113.8A263 S270A263-F267 PolarHBondContact O-N 3.4Å; F267-S270 PolarHBondContact O-OG 3.1Å
268Y46.9Very low46.7Very low202 Ų202129.6 Ų129.679%0.79273%0.725SS**Hα-helixtrans-80.6-23.8-178.7-152.3-96.5000113.5L264L264-Y268 PolarHBondContact O-N 3.21Å
269Q50.6Low45.7Very low170 Ų170126.3 Ų126.379%0.79472%0.724SS**SBendtrans-90.2-3.7-177.9-70.8-166.4-5.400115.3
270S51Low44.6Very low78 Ų78125.5 Ų125.555%0.54573%0.731SS.*SBendtrans-98.94.1-172.9360000116W266 F267W266-S270 PolarHBondContact O-OG 2.86Å; F267-S270 PolarHBondContact O-OG 3.1Å
271K46.3Very low43.6Very low199 Ų199123.9 Ų123.987%0.86574%0.737SS**SBendtrans-133.415.2-177.7-77.7-149.9175.9-174.20118.9
272C43.8Very low42.7Very low118 Ų118129.7 Ų129.780%0.79776%0.757SS**  trans-129.893.1171.7-77.30000111.8
273S33.6Very low41.6Very low121 Ų121131.2 Ų131.285%0.84677%0.769SS**  trans-178.6120.7141.4-86.30000111.1
274C32Very low40.4Very low142 Ų142133.1 Ų133.196%0.95979%0.785SS**  trans-175.6102.4135.6-97.50000110.6
275S36.8Very low39.4Very low127 Ų127131.3 Ų131.389%0.88879%0.788SS**  trans-134.7143.5149.159.70000105.1
276G33.1Very low38.4Very low66 Ų66131.7 Ų131.768%0.6880%0.798SS**  cis-176.3167.4-4.700000108.8
277S30.9Very low37.7Very low111 Ų111134.3 Ų134.378%0.77681%0.808SS**  trans52.9127.3158.665.20000120.3
278T31.2Very low36.8Very low144 Ų144138 Ų13888%0.88382%0.817SS**  -177.1173.881.626.70000112.7
279S30.7Very low36.1Very low107 Ų107135 Ų13575%0.74882%0.815SS**  trans-85.2164.4-150.260.30000121.3
280S32.2Very low35.8Very low118 Ų118139 Ų13983%0.82582%0.823SS**  trans138.7142.8134.464.70000110.7
281A31.3Very low34.9Very low102 Ų102140.3 Ų140.384%0.84384%0.838SS**  cis-156.4169.80.500000109.8
282L34.1Very low34.8Very low164 Ų164134 Ų13486%0.85983%0.83SS**  trans-61.5163.8-176-73.5150.1000116
283P35.7Very low34.9Very low126 Ų126134.4 Ų134.482%0.81883%0.831SS**  -136.6171.698.135-20.1000115.6
284A31.3Very low35.1Very low98 Ų98134.5 Ų134.581%0.8183%0.829SS**PPolyproline II helixtrans-70.2154.8-159.700000117.6
285A35.3Very low35.7Very low94 Ų94136.7 Ų136.778%0.77783%0.825SS**PPolyproline II helixtrans-97.3152.516900000112.1
286P36.4Very low35.8Very low128 Ų128136.2 Ų136.283%0.83182%0.819SS**PPolyproline II helixtrans-90.2142.7157.533.7-26.3000111.4
287R37.5Very low35.9Very low251 Ų251139 Ų13995%0.94783%0.825SS**PPolyproline II helixtrans-69.2139.8172.3-87.1177.5169.1171.5-3.1111.9
288R32.9Very low36.2Very low233 Ų233139 Ų13988%0.87983%0.831SS**  trans-161117.7142.4-121.5177-176.7172.13.8113.6
289D31.9Very low36.1Very low139 Ų139137 Ų13774%0.74383%0.83SS**  trans47.7107.9137-55-26.7000122.9
290R43.4Very low36.2Very low254 Ų254140.7 Ų140.796%0.95884%0.835SS**  40.3104.3121.1-145.3178.9-156.5170.14.5118.5
291A33.3Very low36.6Very low104 Ų104140.9 Ų140.986%0.8683%0.833SS**  trans-142.6131.5149.200000109.2
292G44.3Very low36.6Very low67 Ų67142.8 Ų142.869%0.69184%0.835SS**PPolyproline II helixtrans-71.7163.5-177.900000113.3
293P44.8Very low36.5Very low127 Ų127138.4 Ų138.483%0.82583%0.829SS**PPolyproline II helixtrans-73.2144.6178.928.8-31.5000111.7
294P38.7Very low36.5Very low123 Ų123137.8 Ų137.880%0.79983%0.828SS**PPolyproline II helixtrans-76.2147.2-178.431.4-32.8000111.6
295Q44.7Very low36.7Very low188 Ų188140.6 Ų140.688%0.87983%0.829SS**PPolyproline II helixtrans-65.4141.6169.5-75-173.2-33.100110.8
296P38.7Very low37.2Very low117 Ų117145.1 Ų145.176%0.7683%0.831SS**PPolyproline II helixtrans-78.1147.217230.3-30.9000111.6
297P35.7Very low37.6Very low125 Ų125146.8 Ų146.881%0.81283%0.833SS**PPolyproline II helixtrans-78.2153.5-17832.4-33000112.1A299P297-A299 PolarHBondContact O-N 3.03Å
298A36.1Very low38.1Very low110 Ų110139.4 Ų139.491%0.90982%0.82SS**PPolyproline II helixtrans-62.2127.5174.200000111.4
299A30.3Very low38.7Very low103 Ų103134.7 Ų134.785%0.85181%0.812SS**  trans-104.7118169.900000109.7P297P297-A299 PolarHBondContact O-N 3.03Å
300Q31.9Very low40Very low184 Ų184131.5 Ų131.586%0.8680%0.797SS**  trans-78163.8164.1-95.4-174.8-22.200111
301P41.2Very low40Very low122 Ų122128.9 Ų128.979%0.79279%0.789SS**  trans-89.4138.2-154.534.7-32.1000112.6
302T31.5Very low40.8Very low142 Ų142131.6 Ų131.687%0.87178%0.784SS**  trans-138.5120.6167.953.50000110.6
303G31.4Very low41.2Very low72 Ų72133.1 Ų133.174%0.74277%0.773SS**  trans91.890.7139.300000119.1
304S36.2Very low41.7Very low112 Ų112131.4 Ų131.478%0.78375%0.75SS**  trans55.191134.366.30000120.2
305D34.3Very low42.2Very low158 Ų158127.5 Ų127.585%0.84573%0.729SS**  trans-104.1102.3141.7-105.7-26.1000107.6D307D305-D307 PolarHBondContact O-N 3.39Å
306K45.3Very low42.4Very low189 Ų189120.9 Ų120.982%0.82271%0.706SS**  trans-90.190.8164.4-79-174.3176.3-177.70106.5
307D46.6Very low42.9Very low163 Ų163117.6 Ų117.687%0.87269%0.689SS**  trans176.147.8155.6-88-14.4000109.9D305D305-D307 PolarHBondContact O-N 3.39Å
308S46.2Very low43.7Very low96 Ų96116 Ų11667%0.67167%0.67SS**  trans-126.6115.5173.5-75.60000108.8T310S308-T310 PolarHBondContact O-N 3.44Å
309L47.2Very low44.3Very low134 Ų134116.9 Ų116.970%0.70266%0.656SS**  trans-53.2125170.3-74.8161.8000108.6E313L309-E313 HydrophobicContact CB-CB 4.46Å; L309-E313 HydrophobicContact CD2-CB 3.88Å
310T58.9Low45Very low72 Ų72118.7 Ų118.744%0.44265%0.646SS.*  trans-63.6156.6174.961.40000109.9S308 E312 E313 Y314S308-T310 PolarHBondContact O-N 3.44Å; T310-E312 PolarHBondContact O-N 3.14Å; T310-E312 VanDerWaalsContact O-N 3.14Å; T310-E313 WeakPolarHBondContact CB-OE2 3.36Å; T310-E313 PolarHBondContact N-OE2 2.86Å; T310-E313 PolarHBondContact O-N 3.2Å; T310-E313 VanDerWaalsContact O-N 3.1Å; T310-E313 WeakPolarHBondContact OG1-CG 3.36Å; T310-E313 PolarHBondContact OG1-N 2.78Å; T310-E313 PolarHBondContact OG1-OE2 2.88Å; T310-Y314 PolarHBondContact O-N 3.41Å
311Y43.5Very low45.7Very low199 Ų199115.4 Ų115.478%0.7863%0.634SS**Hα-helixtrans-57.3-30.2179.2-178.1-99.1000112.5A315Y311-A315 WeakPolarHBondContact O-CB 3.47Å; Y311-A315 PolarHBondContact O-N 2.73Å
312E49.6Very low45.8Very low160 Ų160115.5 Ų115.575%0.74863%0.627SS**Hα-helixtrans-74.6-40.3176.9-66.4179166.200112.1T310 Y314 A315 A316T310-E312 PolarHBondContact O-N 3.14Å; T310-E312 VanDerWaalsContact O-N 3.14Å; E312-Y314 VanDerWaalsContact C-N 3.33Å; E312-Y314 PolarHBondContact O-N 3.38Å; E312-A315 PolarHBondContact O-N 3.33Å; E312-A316 WeakPolarHBondContact O-CB 3.35Å; E312-A316 PolarHBondContact O-N 2.86Å
313E51.8Low46Very low99 Ų99115.2 Ų115.246%0.46362%0.62SS.*Hα-helixtrans-65.2-36.6172.4-71164.2145.700111.8L309 T310 A317L309-E313 HydrophobicContact CB-CB 4.46Å; L309-E313 HydrophobicContact CD2-CB 3.88Å; T310-E313 WeakPolarHBondContact CB-OE2 3.36Å; T310-E313 PolarHBondContact N-OE2 2.86Å; T310-E313 PolarHBondContact O-N 3.2Å; T310-E313 VanDerWaalsContact O-N 3.1Å; T310-E313 WeakPolarHBondContact OG1-CG 3.36Å; T310-E313 PolarHBondContact OG1-N 2.78Å; T310-E313 PolarHBondContact OG1-OE2 2.88Å; E313-A317 WeakPolarHBondContact O-CB 3.27Å; E313-A317 PolarHBondContact O-N 3.39Å
314Y55.3Low46.2Very low91 Ų91114.1 Ų114.136%0.35760%0.604SS.*Hα-helixtrans-64.9-43.9172.3179.7-96.7000112.1Y216 T310 E312 A317 H318Y216-Y314 HydrophobicContact CE1-CE2 4.2Å; T310-Y314 PolarHBondContact O-N 3.41Å; E312-Y314 VanDerWaalsContact C-N 3.33Å; E312-Y314 PolarHBondContact O-N 3.38Å; Y314-A317 PolarHBondContact O-N 3.05Å; Y314-H318 VanDerWaalsContact O-CB 3.32Å; Y314-H318 WeakPolarHBondContact O-CB 3.49Å; Y314-H318 PolarHBondContact O-N 2.95Å
315A50.1Low45.9Very low42 Ų42114.5 Ų114.535%0.34760%0.604SS.*Hα-helixtrans-64-41178.400000112Y311 E312 H318 Q319Y311-A315 WeakPolarHBondContact O-CB 3.47Å; Y311-A315 PolarHBondContact O-N 2.73Å; E312-A315 PolarHBondContact O-N 3.33Å; A315-H318 PolarHBondContact O-N 2.97Å; A315-Q319 WeakPolarHBondContact O-CB 3.48Å; A315-Q319 PolarHBondContact O-N 3.2Å
316A47.6Very low45.8Very low49 Ų49113.9 Ų113.941%0.40559%0.594SS.*Hα-helixtrans-64.8-46.3175.600000112.2E312 H318 Q319 Q320E312-A316 WeakPolarHBondContact O-CB 3.35Å; E312-A316 PolarHBondContact O-N 2.86Å; A316-H318 VanDerWaalsContact C-N 3.3Å; A316-H318 PolarHBondContact O-N 3.11Å; A316-Q319 PolarHBondContact O-N 3Å; A316-Q319 VanDerWaalsContact O-N 3.14Å; A316-Q320 PolarHBondContact O-N 2.91Å
317A49.9Very low45.2Very low48 Ų48113 Ų11340%0.39760%0.597SS.*Hα-helixtrans-62-37.3175.200000112.2E313 Y314 Q319 Q320 L321E313-A317 WeakPolarHBondContact O-CB 3.27Å; E313-A317 PolarHBondContact O-N 3.39Å; Y314-A317 PolarHBondContact O-N 3.05Å; A317-Q319 VanDerWaalsContact C-N 3.32Å; A317-Q319 PolarHBondContact O-N 3.09Å; A317-Q320 PolarHBondContact O-N 3.13Å; A317-L321 WeakPolarHBondContact O-CB 3.38Å; A317-L321 PolarHBondContact O-N 3.04Å
318H53.7Low44.3Very low90 Ų90113.6 Ų113.642%0.41759%0.588SS.*Hα-helixtrans-67.2-34.1176.3-152.9-15.2000112.1Y314 A315 A316 L322Y314-H318 VanDerWaalsContact O-CB 3.32Å; Y314-H318 WeakPolarHBondContact O-CB 3.49Å; Y314-H318 PolarHBondContact O-N 2.95Å; A315-H318 PolarHBondContact O-N 2.97Å; A316-H318 VanDerWaalsContact C-N 3.3Å; A316-H318 PolarHBondContact O-N 3.11Å; H318-L322 VanDerWaalsContact O-CG 3.32Å; H318-L322 WeakPolarHBondContact O-CG 3.41Å; H318-L322 PolarHBondContact O-N 3.42Å
319Q47.8Very low43.8Very low130 Ų130114.1 Ų114.161%0.60759%0.589SS**Hα-helixtrans-73.5-33.8176.5-158155.6-700112.1A315 A316 A317 L322 L323A315-Q319 WeakPolarHBondContact O-CB 3.48Å; A315-Q319 PolarHBondContact O-N 3.2Å; A316-Q319 PolarHBondContact O-N 3Å; A316-Q319 VanDerWaalsContact O-N 3.14Å; A317-Q319 VanDerWaalsContact C-N 3.32Å; A317-Q319 PolarHBondContact O-N 3.09Å; Q319-L322 PolarHBondContact O-N 2.94Å; Q319-L323 VanDerWaalsContact O-CG 3.31Å; Q319-L323 WeakPolarHBondContact O-CG 3.25Å; Q319-L323 PolarHBondContact O-N 3.42Å
320Q44.1Very low42.9Very low140 Ų140115.7 Ų115.765%0.65459%0.59SS**Hα-helixtrans-71.2-34.8171.5-119.8146.9-21.600113A316 A317 L322 L323 A324A316-Q320 PolarHBondContact O-N 2.91Å; A317-Q320 PolarHBondContact O-N 3.13Å; Q320-L322 VanDerWaalsContact C-N 3.27Å; Q320-L322 PolarHBondContact O-N 2.91Å; Q320-L323 CarbonylContact O-C 3.5Å; Q320-L323 PolarHBondContact O-N 2.99Å; Q320-L323 VanDerWaalsContact O-N 3.07Å; Q320-A324 PolarHBondContact O-N 2.85Å
321L46.7Very low41.5Very low116 Ų116117.7 Ų117.761%0.60760%0.602SS**Hα-helixtrans-64.1-29.3169.9-89.4156000113.2A317 L323A317-L321 WeakPolarHBondContact O-CB 3.38Å; A317-L321 PolarHBondContact O-N 3.04Å; L321-L323 VanDerWaalsContact C-N 3.33Å
322L44.7Very low40.9Very low123 Ų123115.3 Ų115.364%0.64459%0.593SS**Hα-helixtrans-77.8-19.6172.6-69.3167.7000112.8H318 Q319 Q320H318-L322 VanDerWaalsContact O-CG 3.32Å; H318-L322 WeakPolarHBondContact O-CG 3.41Å; H318-L322 PolarHBondContact O-N 3.42Å; Q319-L322 PolarHBondContact O-N 2.94Å; Q320-L322 VanDerWaalsContact C-N 3.27Å; Q320-L322 PolarHBondContact O-N 2.91Å
323L35.6Very low40.2Very low137 Ų137113 Ų11372%0.71759%0.59SS**Hα-helixtrans-95-13.7176.9-69.4166.1000113.3Q319 Q320 L321Q319-L323 VanDerWaalsContact O-CG 3.31Å; Q319-L323 WeakPolarHBondContact O-CG 3.25Å; Q319-L323 PolarHBondContact O-N 3.42Å; Q320-L323 CarbonylContact O-C 3.5Å; Q320-L323 PolarHBondContact O-N 2.99Å; Q320-L323 VanDerWaalsContact O-N 3.07Å; L321-L323 VanDerWaalsContact C-N 3.33Å
324A34.2Very low39.3Very low49 Ų49115.1 Ų115.141%0.40561%0.605SS.*SBendtrans-53138.816800000109.1Q320 K326Q320-A324 PolarHBondContact O-N 2.85Å; A324-K326 PolarHBondContact O-N 2.89Å
325P30Very low38.4Very low120 Ų120116.2 Ų116.278%0.77962%0.615SS**  trans-51.7118.4-171.318.6-30.4000109.1L327P325-L327 VanDerWaalsContact C-N 3.27Å; P325-L327 PolarHBondContact O-N 2.86Å
326K32.5Very low37.8Very low145 Ų145120.5 Ų120.563%0.6363%0.628SS**  trans-54.395.9174.6-70.2177.8-179.51750107.6A324 Y328A324-K326 PolarHBondContact O-N 2.89Å; K326-Y328 HydrophobicContact CB-CD2 4.06Å; K326-Y328 HydrophobicContact CB-CE1 4.45Å; K326-Y328 HydrophobicContact CB-CE2 3.83Å; K326-Y328 HydrophobicContact CB-CG 4.46Å; K326-Y328 HydrophobicContact CD-CE1 4.12Å; K326-Y328 WeakPolarHBondContact O-CD2 3.48Å; K326-Y328 PolarHBondContact O-N 2.99Å
327L33.5Very low37.2Very low169 Ų169121.5 Ų121.589%0.88563%0.629SS**  trans-69.883.7155.2-95.4147.1000104.8P325P325-L327 VanDerWaalsContact C-N 3.27Å; P325-L327 PolarHBondContact O-N 2.86Å
328Y27.5Very low36.7Very low177 Ų177125.4 Ų125.469%0.69464%0.639SS**  trans-48.3125.7173.1-69.7-87.9000107.7K326 K330K326-Y328 HydrophobicContact CB-CD2 4.06Å; K326-Y328 HydrophobicContact CB-CE1 4.45Å; K326-Y328 HydrophobicContact CB-CE2 3.83Å; K326-Y328 HydrophobicContact CB-CG 4.46Å; K326-Y328 HydrophobicContact CD-CE1 4.12Å; K326-Y328 WeakPolarHBondContact O-CD2 3.48Å; K326-Y328 PolarHBondContact O-N 2.99Å; Y328-K330 PolarHBondContact O-N 2.92Å; Y328-K330 VanDerWaalsContact O-N 3.09Å
329P35.6Very low36Very low107 Ų107125.5 Ų125.570%0.69565%0.646SS**  trans-62.1118.2161.925.8-28.5000105.7V331P329-V331 VanDerWaalsContact C-N 3.28Å; P329-V331 PolarHBondContact O-N 2.75Å
330K27.9Very low35.8Very low166 Ų166125.3 Ų125.372%0.72265%0.645SS**  trans-56.2104.2159-85.6-174.4175.5-178.50106.1Y328 Y332Y328-K330 PolarHBondContact O-N 2.92Å; Y328-K330 VanDerWaalsContact O-N 3.09Å; K330-Y332 VanDerWaalsContact C-N 3.33Å; K330-Y332 HydrophobicContact CB-CD2 4.05Å; K330-Y332 HydrophobicContact CB-CE2 3.84Å; K330-Y332 HydrophobicContact CD-CE2 4.1Å; K330-Y332 PolarHBondContact O-N 3.33Å
331V30.9Very low35.7Very low114 Ų114123.7 Ų123.769%0.69165%0.649SS**  trans-70.197.1168175.80000105.1P329 T333P329-V331 VanDerWaalsContact C-N 3.28Å; P329-V331 PolarHBondContact O-N 2.75Å; V331-T333 HydrophobicContact CG1-CG2 3.92Å; V331-T333 PolarHBondContact O-N 3.01Å
332Y30.2Very low35.8Very low149 Ų149124.9 Ų124.958%0.58465%0.651SS**  trans-77.3102.3168-82.7-88.2000107.7K330K330-Y332 VanDerWaalsContact C-N 3.33Å; K330-Y332 HydrophobicContact CB-CD2 4.05Å; K330-Y332 HydrophobicContact CB-CE2 3.84Å; K330-Y332 HydrophobicContact CD-CE2 4.1Å; K330-Y332 PolarHBondContact O-N 3.33Å
333T34.5Very low35.9Very low113 Ų113126.1 Ų126.169%0.69366%0.663SS**  trans-104.9122.5162.642.40000108.6V331V331-T333 HydrophobicContact CG1-CG2 3.92Å; V331-T333 PolarHBondContact O-N 3.01Å
334D34.1Very low36.3Very low143 Ų143126.9 Ų126.977%0.76567%0.668SS**  trans51.6106.9172.9-75.5-43.5000119.2
335I35.7Very low36.8Very low113 Ų113127.9 Ų127.958%0.57968%0.683SS**  trans-90120.3165.2-59.9171.5000107.4T337I335-T337 HydrophobicContact CG2-CG2 4.15Å
336H38Very low37.3Very low132 Ų132129.4 Ų129.461%0.61168%0.678SS**  trans-111.7120.1165.5-71.9-13000109.5
337T34.3Very low37.6Very low70 Ų70127 Ų12743%0.42968%0.675SS.*EExtended strand (participates in β ladder)trans-104121.8175.545.40000109.4I335I335-T337 HydrophobicContact CG2-CG2 4.15Å
338H39.2Very low37.9Very low131 Ų131124.2 Ų124.261%0.60666%0.657SS**EExtended strand (participates in β ladder)trans-109.7138.8166.6-73.8-78000109.9
339T38.6Very low38.3Very low91 Ų91121.7 Ų121.756%0.55865%0.652SS**EExtended strand (participates in β ladder)trans-114.9122.4-178.2-45.20000108.1V347T339-V347 HydrophobicContact CG2-CG1 3.36Å
340H45.3Very low38.3Very low127 Ų127122.1 Ų122.159%0.58864%0.644SS**EExtended strand (participates in β ladder)trans-112.7130.7174.1-68.2-91.4000109.6
341S40.5Very low38.8Very low105 Ų105118.3 Ų118.373%0.73463%0.631SS**EExtended strand (participates in β ladder)trans-100120.8175.353.40000109.9
342H48.3Very low39Very low142 Ų142120.1 Ų120.166%0.65763%0.631SS**  trans-89.7154.2170.3-82.1-101.4000111.3N344 G345H342-N344 PolarHBondContact O-N 2.85Å; H342-G345 PolarHBondContact O-N 3.23Å; H342-G345 VanDerWaalsContact O-N 3.09Å
343V46.8Very low39.2Very low149 Ų149120.9 Ų120.990%0.90364%0.635SS**THydrogen-bonded Turntrans-57.4-16.5-175.8-173.80000113.5
344N45Very low39.2Very low152 Ų152125.1 Ų125.181%0.81365%0.646SS**THydrogen-bonded Turntrans-96.618.5179.7-62.1-3.1000114.1H342 K346H342-N344 PolarHBondContact O-N 2.85Å; N344-K346 VanDerWaalsContact C-N 3.27Å; N344-K346 PolarHBondContact O-N 3Å; N344-K346 VanDerWaalsContact O-N 3.14Å
345G45.7Very low39.1Very low71 Ų71128 Ų12873%0.73268%0.675SS**SBendtrans742.416900000116.7H342H342-G345 PolarHBondContact O-N 3.23Å; H342-G345 VanDerWaalsContact O-N 3.09Å
346K39.3Very low39.3Very low151 Ų151128.7 Ų128.766%0.65768%0.68SS**  trans-89.3123.6169.9-73.9-174.8179.1179.10110.4N344N344-K346 VanDerWaalsContact C-N 3.27Å; N344-K346 PolarHBondContact O-N 3Å; N344-K346 VanDerWaalsContact O-N 3.14Å
347V38.4Very low39.3Very low96 Ų96128.5 Ų128.558%0.58268%0.684SS**EExtended strand (participates in β ladder)trans-96.6123.6173.3-179.20000108.2T339T339-V347 HydrophobicContact CG2-CG1 3.36Å
348H39.8Very low39.6Very low110 Ų110131.8 Ų131.851%0.50970%0.698SS.*EExtended strand (participates in β ladder)trans-113.1128.7173.2-75.3-108.7000108.9
349Q36.3Very low39.6Very low123 Ų123131.8 Ų131.858%0.57570%0.703SS**EExtended strand (participates in β ladder)trans-102.1117.2177-170173.1200108.4
350H36.4Very low39.7Very low117 Ų117134.4 Ų134.454%0.54271%0.712SS.*EExtended strand (participates in β ladder)trans-98.9125.7176.7-73.6-94.1000109.3
351I37.6Very low39.3Very low86 Ų86134.9 Ų134.944%0.44172%0.72SS.*EExtended strand (participates in β ladder)trans-103.8111.4174.2-58.4173.5000106.2Y353I351-Y353 HydrophobicContact CG2-CE1 4.11Å; I351-Y353 HydrophobicContact CG2-CE2 4.18Å
352H34.8Very low39.2Very low151 Ų151137 Ų13770%0.69972%0.719SS**  trans-89.7130.9173.5-79.6-94.8000109.8
353Y34.1Very low38.5Very low166 Ų166136.6 Ų136.665%0.65172%0.724SS**  trans-101.3115.3169.7-54.9-84.6000107.1I351I351-Y353 HydrophobicContact CG2-CE1 4.11Å; I351-Y353 HydrophobicContact CG2-CE2 4.18Å
354Q34.2Very low37.8Very low201 Ų201135.6 Ų135.694%0.93971%0.709SS**  trans-86.6118.5164.6-98.1173.3-35.800107.7
355C32.6Very low37.2Very low203 Ų203134.1 Ų134.1100%1.37270%0.7SS**  trans-74.20173-73.30000111.5

Retrieved 355 of 355 residues in 322.3 ms (Link to these results)

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