A0A087X553_POEFO Loading...

Cugbp, Elav-like family member 1

AlphaFold DB , UniProt , Accession A0A087X553, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 329 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
1G73.7Confident88.7Confident132 Ų132120.5 Ų120.5100%1.36173%0.732SS**  0175.6000000109.8
2C84.8Confident89Confident124 Ų124119.3 Ų119.384%0.83871%0.714SS**  trans-118.4145.3178.1-58.80000110.4
3A86.1Confident89.2Confident93 Ų93111.1 Ų111.177%0.76967%0.668SS**  trans-129154.6176.500000110.4
4F90Very high89.5Confident173 Ų173109.4 Ų109.476%0.75965%0.649SS**  trans-119.5132.6179.1-63.6-83000110A38F4-A38 HydrophobicContact CD1-CB 4.16Å; F4-A38 HydrophobicContact CE1-CB 4.16Å
5V89.8Confident89.7Confident111 Ų111106.8 Ų106.867%0.67364%0.639SS**  trans-124.6125.5178.1-179.10000108.7F7V5-F7 HydrophobicContact CB-CE2 4.28Å; V5-F7 HydrophobicContact CG1-CD2 4.23Å; V5-F7 HydrophobicContact CG1-CE2 3.77Å; V5-F7 HydrophobicContact CG1-CZ 4.06Å
6T91.1Very high89.8Confident143 Ų143101.1 Ų101.188%0.87761%0.607SS**  trans-98.1114.8177.7-53.90000109.8
7F90Very high90Very high73 Ų7397.3 Ų97.332%0.3258%0.582SS.*  trans-89.6147.7173.8-72.5-87.6000111.3V5 G9 M12 A13 A16V5-F7 HydrophobicContact CB-CE2 4.28Å; V5-F7 HydrophobicContact CG1-CD2 4.23Å; V5-F7 HydrophobicContact CG1-CE2 3.77Å; V5-F7 HydrophobicContact CG1-CZ 4.06Å; F7-G9 VanDerWaalsContact C-N 3.29Å; F7-G9 PolarHBondContact O-N 3.37Å; F7-M12 HydrophobicContact CD1-CB 4.07Å; F7-M12 HydrophobicContact CD1-CG 3.65Å; F7-M12 HydrophobicContact CD1-SD 3.79Å; F7-M12 HydrophobicContact CE1-CG 4.06Å; F7-M12 HydrophobicContact CE1-SD 4.35Å; F7-A13 HydrophobicContact CB-CB 4.05Å; F7-A13 HydrophobicContact CD2-CB 3.7Å; F7-A13 HydrophobicContact CE2-CB 4.41Å; F7-A13 HydrophobicContact CG-CB 3.96Å; F7-A16 HydrophobicContact CE1-CB 3.94Å; F7-A16 HydrophobicContact CE2-CB 4.05Å; F7-A16 HydrophobicContact CZ-CB 3.42Å; F7-A16 VanDerWaalsContact CZ-CB 3.42Å
8T93.3Very high90Very high140 Ų140102.4 Ų102.486%0.85960%0.596SS**SBendtrans-67.3-26176.150.90000113.5
9G92.7Very high89.9Confident33 Ų33101.3 Ų101.334%0.3459%0.594SS.*SBendtrans-144.9144.7-179.700000113.4F7 Q11 M12 A13F7-G9 VanDerWaalsContact C-N 3.29Å; F7-G9 PolarHBondContact O-N 3.37Å; G9-Q11 VanDerWaalsContact C-N 3.3Å; G9-Q11 PolarHBondContact O-N 3.16Å; G9-M12 WeakPolarHBondContact O-CB 3.48Å; G9-M12 PolarHBondContact O-N 3.03Å; G9-M12 VanDerWaalsContact O-N 3.12Å; G9-A13 PolarHBondContact O-N 3.48Å
10R90.3Very high89.8Confident179 Ų179100.5 Ų100.568%0.67559%0.585SS**Hα-helixtrans-59.4-37-176.3-171.1174.3-174162.11.7113.3M12 A13 Q14 F37R10-M12 VanDerWaalsContact C-N 3.31Å; R10-M12 PolarHBondContact O-N 3Å; R10-A13 PolarHBondContact O-N 2.88Å; R10-Q14 WeakPolarHBondContact O-CG 2.99Å; R10-Q14 PolarHBondContact O-N 3.46Å; R10-F37 HydrophobicContact CG-CZ 4.47Å
11Q94.1Very high89.7Confident125 Ų12598.7 Ų98.758%0.58457%0.571SS**Hα-helixtrans-65.6-34.2178.9-55.3-45.696.600112.4G9 Q14 S15G9-Q11 VanDerWaalsContact C-N 3.3Å; G9-Q11 PolarHBondContact O-N 3.16Å; Q11-Q14 PolarHBondContact O-N 2.96Å; Q11-S15 WeakPolarHBondContact O-CB 3.38Å; Q11-S15 PolarHBondContact O-N 2.82Å; Q11-S15 PolarHBondContact O-OG 3.02Å
12M92.3Very high90.3Very high105 Ų10598.4 Ų98.452%0.51754%0.535SS..Hα-helixtrans-67.9-42.2175.4-164.7-179.8-6900110.7F7 G9 R10 S15 A16F7-M12 HydrophobicContact CD1-CB 4.07Å; F7-M12 HydrophobicContact CD1-CG 3.65Å; F7-M12 HydrophobicContact CD1-SD 3.79Å; F7-M12 HydrophobicContact CE1-CG 4.06Å; F7-M12 HydrophobicContact CE1-SD 4.35Å; G9-M12 WeakPolarHBondContact O-CB 3.48Å; G9-M12 PolarHBondContact O-N 3.03Å; G9-M12 VanDerWaalsContact O-N 3.12Å; R10-M12 VanDerWaalsContact C-N 3.31Å; R10-M12 PolarHBondContact O-N 3Å; M12-S15 PolarHBondContact O-N 3.23Å; M12-A16 WeakPolarHBondContact O-CB 3.24Å; M12-A16 PolarHBondContact O-N 3.33Å
13A91.9Very high90.3Very high13 Ų1395.8 Ų95.811%0.10752%0.518CS..Hα-helixtrans-63.1-40.1173.100000112.9F7 G9 R10 A16 I17 F37F7-A13 HydrophobicContact CB-CB 4.05Å; F7-A13 HydrophobicContact CD2-CB 3.7Å; F7-A13 HydrophobicContact CE2-CB 4.41Å; F7-A13 HydrophobicContact CG-CB 3.96Å; G9-A13 PolarHBondContact O-N 3.48Å; R10-A13 PolarHBondContact O-N 2.88Å; A13-A16 PolarHBondContact O-N 3.33Å; A13-I17 WeakPolarHBondContact O-CB 3.33Å; A13-I17 WeakPolarHBondContact O-CD1 3.36Å; A13-I17 VanDerWaalsContact O-CG1 3.28Å; A13-I17 WeakPolarHBondContact O-CG1 3.49Å; A13-I17 PolarHBondContact O-N 2.98Å; A13-F37 HydrophobicContact CB-CE1 3.76Å; A13-F37 HydrophobicContact CB-CZ 4.2Å
14Q93.3Very high89.8Confident87 Ų8796.7 Ų96.741%0.40751%0.506SS..Hα-helixtrans-61.3-43.9173.8-73.3-176-3700111.9R10 Q11 I17 K18 F37R10-Q14 WeakPolarHBondContact O-CG 2.99Å; R10-Q14 PolarHBondContact O-N 3.46Å; Q11-Q14 PolarHBondContact O-N 2.96Å; Q14-I17 PolarHBondContact O-N 3.26Å; Q14-K18 WeakPolarHBondContact O-CB 3.48Å; Q14-K18 PolarHBondContact O-N 2.96Å; Q14-F37 HydrophobicContact CG-CE2 4.16Å; Q14-F37 HydrophobicContact CG-CZ 3.75Å
15S92Very high89.3Confident71 Ų7192.4 Ų92.450%0.49749%0.494SS..Hα-helixtrans-66.2-40.9178.8-55.40000111.7Q11 M12 K18 S19Q11-S15 WeakPolarHBondContact O-CB 3.38Å; Q11-S15 PolarHBondContact O-N 2.82Å; Q11-S15 PolarHBondContact O-OG 3.02Å; M12-S15 PolarHBondContact O-N 3.23Å; S15-K18 PolarHBondContact O-N 3.4Å; S15-S19 WeakPolarHBondContact O-CB 3.41Å; S15-S19 PolarHBondContact O-N 2.85Å; S15-S19 PolarHBondContact O-OG 3.38Å
16A91.7Very high88.9Confident16 Ų1691.8 Ų91.813%0.13249%0.486CS..Hα-helixtrans-64.4-42.5174.400000112.3F7 M12 A13 S19 M20F7-A16 HydrophobicContact CE1-CB 3.94Å; F7-A16 HydrophobicContact CE2-CB 4.05Å; F7-A16 HydrophobicContact CZ-CB 3.42Å; F7-A16 VanDerWaalsContact CZ-CB 3.42Å; M12-A16 WeakPolarHBondContact O-CB 3.24Å; M12-A16 PolarHBondContact O-N 3.33Å; A13-A16 PolarHBondContact O-N 3.33Å; A16-S19 PolarHBondContact O-N 2.78Å; A16-M20 VanDerWaalsContact O-CB 3.31Å; A16-M20 WeakPolarHBondContact O-CB 3.34Å; A16-M20 PolarHBondContact O-N 2.93Å
17I92.9Very high88.2Confident36 Ų3694.6 Ų94.619%0.18549%0.49CS..Hα-helixtrans-59.7-51172.6-72.3160.8000110.1A13 Q14 S19 M20 H21 V35 F37A13-I17 WeakPolarHBondContact O-CB 3.33Å; A13-I17 WeakPolarHBondContact O-CD1 3.36Å; A13-I17 VanDerWaalsContact O-CG1 3.28Å; A13-I17 WeakPolarHBondContact O-CG1 3.49Å; A13-I17 PolarHBondContact O-N 2.98Å; Q14-I17 PolarHBondContact O-N 3.26Å; I17-S19 PolarHBondContact O-N 2.86Å; I17-M20 PolarHBondContact O-N 3.4Å; I17-H21 HydrophobicContact CG2-CB 4.48Å; I17-H21 WeakPolarHBondContact O-CB 3.31Å; I17-H21 PolarHBondContact O-N 3Å; I17-V35 HydrophobicContact CG1-CB 4.5Å; I17-V35 HydrophobicContact CG1-CG1 3.83Å; I17-F37 HydrophobicContact CD1-CD1 4.18Å; I17-F37 HydrophobicContact CD1-CD2 3.52Å; I17-F37 HydrophobicContact CD1-CE1 4.08Å; I17-F37 HydrophobicContact CD1-CE2 3.41Å; I17-F37 VanDerWaalsContact CD1-CE2 3.41Å; I17-F37 HydrophobicContact CD1-CG 3.9Å; I17-F37 HydrophobicContact CD1-CZ 3.7Å
18K89.9Confident87.7Confident189 Ų18995.4 Ų95.482%0.82252%0.519SS*.Hα-helixtrans-59.9-34.5-179-173.5179.4177.8-174.90112.9Q14 S15Q14-K18 WeakPolarHBondContact O-CB 3.48Å; Q14-K18 PolarHBondContact O-N 2.96Å; S15-K18 PolarHBondContact O-N 3.4Å
19S88.9Confident86.8Confident81 Ų8191.8 Ų91.857%0.56650%0.499SS*.Hα-helixtrans-90.3-29.2-175.3-48.70000113.7S15 A16 I17 S23S15-S19 WeakPolarHBondContact O-CB 3.41Å; S15-S19 PolarHBondContact O-N 2.85Å; S15-S19 PolarHBondContact O-OG 3.38Å; A16-S19 PolarHBondContact O-N 2.78Å; I17-S19 PolarHBondContact O-N 2.86Å; S19-S23 WeakPolarHBondContact O-CB 3.39Å; S19-S23 PolarHBondContact O-OG 3.46Å
20M86.8Confident86.3Confident85 Ų8596.4 Ų96.442%0.41953%0.526SS..Hα-helixtrans-106.7-22.7-174.1-61.9-157.5-55.700114.6A16 I17 Q22 S23 V35A16-M20 VanDerWaalsContact O-CB 3.31Å; A16-M20 WeakPolarHBondContact O-CB 3.34Å; A16-M20 PolarHBondContact O-N 2.93Å; I17-M20 PolarHBondContact O-N 3.4Å; M20-Q22 PolarHBondContact O-N 2.91Å; M20-S23 VanDerWaalsContact CA-OG 3.24Å; M20-S23 WeakPolarHBondContact CA-OG 3.5Å; M20-S23 PolarHBondContact O-N 3.44Å; M20-S23 PolarHBondContact O-OG 2.89Å; M20-V35 HydrophobicContact CB-CG2 3.82Å
21H88.9Confident86.1Confident63 Ų6391.9 Ų91.929%0.29252%0.521SS..THydrogen-bonded Turntrans-62.7120.5179.3-174.998.4000111.4I17 S23 V35I17-H21 HydrophobicContact CG2-CB 4.48Å; I17-H21 WeakPolarHBondContact O-CB 3.31Å; I17-H21 PolarHBondContact O-N 3Å; H21-S23 PolarHBondContact O-N 2.76Å; H21-V35 HydrophobicContact CB-CB 4.35Å; H21-V35 PolarHBondContact ND1-N 2.94Å; H21-V35 PolarHBondContact ND1-O 3.42Å
22Q85.5Confident85.6Confident127 Ų12788.2 Ų88.259%0.59351%0.508SS*.THydrogen-bonded Turntrans60.20.1-177.1-63.517849.700116.3M20 P32 I33M20-Q22 PolarHBondContact O-N 2.91Å; Q22-P32 HydrophobicContact CB-CG 4.38Å; Q22-P32 HydrophobicContact CG-CG 4.37Å; Q22-I33 PolarHBondContact N-O 3.29Å
23S84.1Confident85.5Confident69 Ų6985.9 Ų85.948%0.48350%0.497SS..THydrogen-bonded Turntrans-79.9-22-174.769.50000115.3S19 M20 H21S19-S23 WeakPolarHBondContact O-CB 3.39Å; S19-S23 PolarHBondContact O-OG 3.46Å; M20-S23 VanDerWaalsContact CA-OG 3.24Å; M20-S23 WeakPolarHBondContact CA-OG 3.5Å; M20-S23 PolarHBondContact O-N 3.44Å; M20-S23 PolarHBondContact O-OG 2.89Å; H21-S23 PolarHBondContact O-N 2.76Å
24Q76.7Confident85.4Confident111 Ų11190 Ų9052%0.51952%0.521SS..  trans-133.3139-176.7-72.5-176-8.500109.8P32 I33Q24-P32 CarbonylContact O-C 3.55Å; Q24-P32 WeakPolarHBondContact O-CA 3.04Å; Q24-I33 HydrophobicContact CB-CD1 4.07Å; Q24-I33 WeakPolarHBondContact O-CG1 3.28Å; Q24-I33 PolarHBondContact O-N 3.41Å
25T80.1Confident85.3Confident83 Ų8387.2 Ų87.251%0.50951%0.51SS..  trans-110.9124.9168.1-59.20000107C29 P32T25-C29 WeakPolarHBondContact CG2-O 3.48Å; T25-P32 WeakPolarHBondContact OG1-CA 3.44Å; T25-P32 WeakPolarHBondContact OG1-CB 3.5Å
26L80.5Confident85.1Confident98 Ų9891.4 Ų91.451%0.51352%0.519SS..  trans-71.3145.9177.1-64.5175.4000110.1G28 C29 I33L26-G28 PolarHBondContact O-N 3.29Å; L26-C29 HydrophobicContact CB-CB 4.28Å; L26-C29 WeakPolarHBondContact O-CB 3.46Å; L26-C29 PolarHBondContact O-N 3.29Å; L26-I33 HydrophobicContact CD1-CD1 4.32Å; L26-I33 HydrophobicContact CD1-CG1 4.37Å; L26-I33 HydrophobicContact CD2-CD1 3.88Å; L26-I33 HydrophobicContact CG-CD1 3.84Å; L26-I33 HydrophobicContact CG-CG1 4.01Å
27E77Confident85.1Confident203 Ų20395.6 Ų95.695%0.94954%0.535SS*.THydrogen-bonded Turntrans-57.5133.8175.2-61.1-167.6111.800110.6C29E27-C29 VanDerWaalsContact C-N 3.32Å; E27-C29 PolarHBondContact O-N 3.26Å
28G78.6Confident84.8Confident90 Ų9097 Ų9793%0.92855%0.552SS**THydrogen-bonded Turntrans782.2-17300000116L26L26-G28 PolarHBondContact O-N 3.29Å
29C74.1Confident84.5Confident64 Ų6494.6 Ų94.643%0.43255%0.548SS..  trans-107.1126.5175.2-66.30000112.3T25 L26 E27 S31T25-C29 WeakPolarHBondContact CG2-O 3.48Å; L26-C29 HydrophobicContact CB-CB 4.28Å; L26-C29 WeakPolarHBondContact O-CB 3.46Å; L26-C29 PolarHBondContact O-N 3.29Å; E27-C29 VanDerWaalsContact C-N 3.32Å; E27-C29 PolarHBondContact O-N 3.26Å; C29-S31 PolarHBondContact O-N 3.44Å; C29-S31 VanDerWaalsContact O-N 3.16Å
30S82.6Confident84Confident130 Ų13095 Ų9591%0.90955%0.547SS*.SBendtrans-77.18.5178.3-42.60000115.1
31S85.6Confident83.1Confident84 Ų8497.2 Ų97.259%0.58756%0.556SS**SBendtrans-148.3143-176.4-600000110.9C29C29-S31 PolarHBondContact O-N 3.44Å; C29-S31 VanDerWaalsContact O-N 3.16Å
32P85Confident82Confident48 Ų48101.8 Ų101.831%0.31258%0.575SS.*  trans-73158.9-178.932.7-37.5000112.2Q22 Q24 T25 V34Q22-P32 HydrophobicContact CB-CG 4.38Å; Q22-P32 HydrophobicContact CG-CG 4.37Å; Q24-P32 CarbonylContact O-C 3.55Å; Q24-P32 WeakPolarHBondContact O-CA 3.04Å; T25-P32 WeakPolarHBondContact OG1-CA 3.44Å; T25-P32 WeakPolarHBondContact OG1-CB 3.5Å; P32-V34 PolarHBondContact O-N 3.12Å
33I89.4Confident81.3Confident55 Ų5599.5 Ų99.528%0.28257%0.567SS.*  trans-65.6123-175-57.2168.4000110.8Q22 Q24 L26 V35Q22-I33 PolarHBondContact N-O 3.29Å; Q24-I33 HydrophobicContact CB-CD1 4.07Å; Q24-I33 WeakPolarHBondContact O-CG1 3.28Å; Q24-I33 PolarHBondContact O-N 3.41Å; L26-I33 HydrophobicContact CD1-CD1 4.32Å; L26-I33 HydrophobicContact CD1-CG1 4.37Å; L26-I33 HydrophobicContact CD2-CD1 3.88Å; L26-I33 HydrophobicContact CG-CD1 3.84Å; L26-I33 HydrophobicContact CG-CG1 4.01Å; I33-V35 HydrophobicContact CG2-CG2 3.74Å
34V88.9Confident80.8Confident100 Ų100102.7 Ų102.761%0.60657%0.572SS**  trans-94.199.1175.3178.50000110P32 K36P32-V34 PolarHBondContact O-N 3.12Å; V34-K36 HydrophobicContact CG1-CD 4.05Å; V34-K36 HydrophobicContact CG1-CG 4.08Å
35V91.3Very high80.8Confident29 Ų29103.3 Ų103.318%0.17658%0.575CS.*  trans-95.5121175.6-1660000110I17 M20 H21 I33I17-V35 HydrophobicContact CG1-CB 4.5Å; I17-V35 HydrophobicContact CG1-CG1 3.83Å; M20-V35 HydrophobicContact CB-CG2 3.82Å; H21-V35 HydrophobicContact CB-CB 4.35Å; H21-V35 PolarHBondContact ND1-N 2.94Å; H21-V35 PolarHBondContact ND1-O 3.42Å; I33-V35 HydrophobicContact CG2-CG2 3.74Å
36K89.4Confident80.6Confident158 Ų158106 Ų10669%0.68758%0.582SS**  trans-139.2166.2176.3-62.1-176.574.6175.60109.4V34V34-K36 HydrophobicContact CG1-CD 4.05Å; V34-K36 HydrophobicContact CG1-CG 4.08Å
37F90.1Very high80.5Confident105 Ų105108.2 Ų108.246%0.46159%0.587SS.*PPolyproline II helixtrans-61.9138.7164.7-74.1-74.2000109.7R10 A13 Q14 I17R10-F37 HydrophobicContact CG-CZ 4.47Å; A13-F37 HydrophobicContact CB-CE1 3.76Å; A13-F37 HydrophobicContact CB-CZ 4.2Å; Q14-F37 HydrophobicContact CG-CE2 4.16Å; Q14-F37 HydrophobicContact CG-CZ 3.75Å; I17-F37 HydrophobicContact CD1-CD1 4.18Å; I17-F37 HydrophobicContact CD1-CD2 3.52Å; I17-F37 HydrophobicContact CD1-CE1 4.08Å; I17-F37 HydrophobicContact CD1-CE2 3.41Å; I17-F37 VanDerWaalsContact CD1-CE2 3.41Å; I17-F37 HydrophobicContact CD1-CG 3.9Å; I17-F37 HydrophobicContact CD1-CZ 3.7Å
38A87.4Confident80.6Confident66 Ų66107.5 Ų107.555%0.54558%0.576SS.*PPolyproline II helixtrans-70.3136172.400000110.1F4 T40F4-A38 HydrophobicContact CD1-CB 4.16Å; F4-A38 HydrophobicContact CE1-CB 4.16Å; A38-T40 PolarHBondContact O-N 3.35Å
39D82.6Confident80.8Confident137 Ų137108.6 Ų108.673%0.73356%0.56SS**PPolyproline II helixtrans-59.4129.3175.4-62.1-47.3000109.9
40T80Confident81Confident89 Ų89108.2 Ų108.255%0.54656%0.562SS.*PPolyproline II helixtrans-73.7149175.574.60000109.7A38 K42 D43 K44A38-T40 PolarHBondContact O-N 3.35Å; T40-K42 PolarHBondContact O-N 3.16Å; T40-K42 VanDerWaalsContact O-N 3.15Å; T40-D43 WeakPolarHBondContact O-CB 3.18Å; T40-D43 PolarHBondContact O-N 3.08Å; T40-D43 PolarHBondContact OG1-N 3.37Å; T40-D43 VanDerWaalsContact OG1-N 3.16Å; T40-K44 PolarHBondContact O-N 3.25Å; T40-K44 VanDerWaalsContact O-N 3.08Å
41Q66.6Low80.9Confident132 Ų132108 Ų10862%0.61755%0.546SS*.Hα-helixtrans-54.1-35.6174.2-79.8-80.510100112.1K44 E45Q41-K44 PolarHBondContact O-N 2.79Å; Q41-E45 WeakPolarHBondContact O-CB 3.31Å; Q41-E45 WeakPolarHBondContact O-CG 3.43Å; Q41-E45 PolarHBondContact O-N 3.34Å
42K66.8Low80.7Confident160 Ų160109.5 Ų109.570%0.69654%0.544SS*.Hα-helixtrans-62.1-43.8174.5-68.3-168173.1-165.40112.9T40 E45 Q46T40-K42 PolarHBondContact O-N 3.16Å; T40-K42 VanDerWaalsContact O-N 3.15Å; K42-E45 PolarHBondContact O-N 3.38Å; K42-Q46 WeakPolarHBondContact O-CB 3.5Å; K42-Q46 PolarHBondContact O-N 3.32Å
43D71.4Confident80.3Confident78 Ų78112.5 Ų112.542%0.41756%0.557SS.*Hα-helixtrans-62.1-45.8177.2-165.5-73.7000110.4T40 E45 Q46 K47T40-D43 WeakPolarHBondContact O-CB 3.18Å; T40-D43 PolarHBondContact O-N 3.08Å; T40-D43 PolarHBondContact OG1-N 3.37Å; T40-D43 VanDerWaalsContact OG1-N 3.16Å; D43-E45 VanDerWaalsContact C-N 3.35Å; D43-E45 PolarHBondContact O-N 2.9Å; D43-Q46 PolarHBondContact O-N 2.99Å; D43-K47 WeakPolarHBondContact O-CB 3.48Å; D43-K47 PolarHBondContact O-N 3.15Å
44K72.9Confident79.5Confident137 Ų137115.5 Ų115.560%0.59657%0.57SS**Hα-helixtrans-60.6-39.2175.6-171.5175.7179.9179.60113.1T40 Q41 R48T40-K44 PolarHBondContact O-N 3.25Å; T40-K44 VanDerWaalsContact O-N 3.08Å; Q41-K44 PolarHBondContact O-N 2.79Å; K44-R48 VanDerWaalsContact O-CB 3.31Å; K44-R48 WeakPolarHBondContact O-CB 3.34Å; K44-R48 PolarHBondContact O-N 3.01Å
45E75.6Confident78.8Confident123 Ų123116.5 Ų116.558%0.57557%0.567SS**Hα-helixtrans-71.4-42.6174.6-73.8175.913600112.2Q41 K42 D43 R48 L49Q41-E45 WeakPolarHBondContact O-CB 3.31Å; Q41-E45 WeakPolarHBondContact O-CG 3.43Å; Q41-E45 PolarHBondContact O-N 3.34Å; K42-E45 PolarHBondContact O-N 3.38Å; D43-E45 VanDerWaalsContact C-N 3.35Å; D43-E45 PolarHBondContact O-N 2.9Å; E45-R48 WeakPolarHBondContact O-CB 3.43Å; E45-R48 PolarHBondContact O-N 2.81Å; E45-L49 WeakPolarHBondContact O-CB 3.19Å; E45-L49 PolarHBondContact O-N 3.24Å
46Q76Confident77.6Confident140 Ų140120.4 Ų120.465%0.65458%0.584SS**Hα-helixtrans-66.9-38.9179.1-167.916715.900111.5K42 D43 L49 A50K42-Q46 WeakPolarHBondContact O-CB 3.5Å; K42-Q46 PolarHBondContact O-N 3.32Å; D43-Q46 PolarHBondContact O-N 2.99Å; Q46-L49 PolarHBondContact O-N 2.91Å; Q46-A50 WeakPolarHBondContact O-CB 3.3Å; Q46-A50 PolarHBondContact O-N 3.38Å
47K78.3Confident76.4Confident145 Ų145119 Ų11963%0.6358%0.581SS**Hα-helixtrans-67.2-38.1171.7-171.3169.9-175.4172.20112.3D43 Q51D43-K47 WeakPolarHBondContact O-CB 3.48Å; D43-K47 PolarHBondContact O-N 3.15Å; K47-Q51 VanDerWaalsContact O-CB 3.3Å; K47-Q51 WeakPolarHBondContact O-CB 3.37Å; K47-Q51 PolarHBondContact O-N 3.04Å
48R80.4Confident75.3Confident187 Ų187119.5 Ų119.571%0.70659%0.585SS**Hα-helixtrans-65-42.2172.1-177.3178.3-178.5149.96.7111.8K44 E45 Q51 Q52K44-R48 VanDerWaalsContact O-CB 3.31Å; K44-R48 WeakPolarHBondContact O-CB 3.34Å; K44-R48 PolarHBondContact O-N 3.01Å; E45-R48 WeakPolarHBondContact O-CB 3.43Å; E45-R48 PolarHBondContact O-N 2.81Å; R48-Q51 PolarHBondContact O-N 3.4Å; R48-Q52 WeakPolarHBondContact O-CB 3.38Å; R48-Q52 PolarHBondContact O-N 2.83Å
49L81.6Confident74.1Confident114 Ų114122.5 Ų122.560%0.59759%0.588SS**Hα-helixtrans-65.8-43.5177.1-177.463.2000111.4E45 Q46 Q52 L53E45-L49 WeakPolarHBondContact O-CB 3.19Å; E45-L49 PolarHBondContact O-N 3.24Å; Q46-L49 PolarHBondContact O-N 2.91Å; L49-Q52 PolarHBondContact O-N 2.88Å; L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 2.88Å
50A78.5Confident72.7Confident56 Ų56122 Ų12246%0.46359%0.585SS.*Hα-helixtrans-61.5-43173.500000112Q46 Q52 L53 Q54Q46-A50 WeakPolarHBondContact O-CB 3.3Å; Q46-A50 PolarHBondContact O-N 3.38Å; A50-Q52 PolarHBondContact O-N 3.39Å; A50-L53 PolarHBondContact O-N 3.3Å; A50-Q54 WeakPolarHBondContact O-CB 3.49Å; A50-Q54 PolarHBondContact O-N 2.86Å
51Q81.4Confident71.6Confident125 Ų125120.5 Ų120.558%0.58458%0.578SS**Hα-helixtrans-66-35.7176.1-170.3172.525.700112.5K47 R48 Q55K47-Q51 VanDerWaalsContact O-CB 3.3Å; K47-Q51 WeakPolarHBondContact O-CB 3.37Å; K47-Q51 PolarHBondContact O-N 3.04Å; R48-Q51 PolarHBondContact O-N 3.4Å; Q51-Q55 WeakPolarHBondContact O-CB 3.33Å; Q51-Q55 WeakPolarHBondContact O-CG 3.45Å; Q51-Q55 PolarHBondContact O-N 3.38Å
52Q81.1Confident70.9Confident115 Ų115116.9 Ų116.954%0.53757%0.57SS.*Hα-helixtrans-68.3-43.7173.8-178.2175.3-19.800111.8R48 L49 A50 Q54 Q55 Q56R48-Q52 WeakPolarHBondContact O-CB 3.38Å; R48-Q52 PolarHBondContact O-N 2.83Å; L49-Q52 PolarHBondContact O-N 2.88Å; A50-Q52 PolarHBondContact O-N 3.39Å; Q52-Q54 VanDerWaalsContact C-N 3.32Å; Q52-Q54 PolarHBondContact O-N 3.48Å; Q52-Q55 PolarHBondContact O-N 3.49Å; Q52-Q56 PolarHBondContact O-N 2.87Å
53L76.4Confident70Confident112 Ų112114.9 Ų114.959%0.58657%0.571SS**Hα-helixtrans-63-40.1175.2-173.766.2000111.2L49 A50 Q56 M57L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 2.88Å; A50-L53 PolarHBondContact O-N 3.3Å; L53-Q56 PolarHBondContact O-N 2.89Å; L53-M57 WeakPolarHBondContact O-CB 3.48Å; L53-M57 PolarHBondContact O-N 3.26Å
54Q73.8Confident68.9Low118 Ų118115.2 Ų115.255%0.55158%0.58SS**Hα-helixtrans-69.3-35.8175.4-169.3168.2-14.200112.1A50 Q52 M57 Q58A50-Q54 WeakPolarHBondContact O-CB 3.49Å; A50-Q54 PolarHBondContact O-N 2.86Å; Q52-Q54 VanDerWaalsContact C-N 3.32Å; Q52-Q54 PolarHBondContact O-N 3.48Å; Q54-M57 HydrophobicContact CG-CE 4.5Å; Q54-M57 PolarHBondContact O-N 2.92Å; Q54-Q58 VanDerWaalsContact O-CB 3.28Å; Q54-Q58 WeakPolarHBondContact O-CB 3.25Å; Q54-Q58 PolarHBondContact O-N 3.23Å
55Q73.1Confident67.8Low120 Ų120116 Ų11656%0.56159%0.587SS**Hα-helixtrans-64.1-40.7170.1-82.1-174.6-12.800112.3Q51 Q52 Q58 Q59Q51-Q55 WeakPolarHBondContact O-CB 3.33Å; Q51-Q55 WeakPolarHBondContact O-CG 3.45Å; Q51-Q55 PolarHBondContact O-N 3.38Å; Q52-Q55 PolarHBondContact O-N 3.49Å; Q55-Q58 PolarHBondContact O-N 3.3Å; Q55-Q59 WeakPolarHBondContact O-CG 3.43Å; Q55-Q59 PolarHBondContact O-N 3.37Å
56Q67Low66.1Low111 Ų111122.3 Ų122.352%0.51961%0.606SS.*Hα-helixtrans-63.6-44.6175.8-169.5173.614.100111.3Q52 L53 Q58 Q59 L60Q52-Q56 PolarHBondContact O-N 2.87Å; L53-Q56 PolarHBondContact O-N 2.89Å; Q56-Q58 VanDerWaalsContact C-N 3.35Å; Q56-Q58 PolarHBondContact O-N 2.83Å; Q56-Q59 PolarHBondContact O-N 2.99Å; Q56-L60 HydrophobicContact CG-CD1 4.36Å; Q56-L60 WeakPolarHBondContact O-CD1 3.28Å; Q56-L60 PolarHBondContact O-N 3.33Å
57M64Low64.4Low129 Ų129119 Ų11964%0.63561%0.61SS**Hα-helixtrans-63.7-37.9174.5-174.3164.957.500112.3L53 Q54 Q59 L60 S61L53-M57 WeakPolarHBondContact O-CB 3.48Å; L53-M57 PolarHBondContact O-N 3.26Å; Q54-M57 HydrophobicContact CG-CE 4.5Å; Q54-M57 PolarHBondContact O-N 2.92Å; M57-Q59 VanDerWaalsContact C-N 3.34Å; M57-L60 PolarHBondContact O-N 2.88Å; M57-S61 PolarHBondContact O-N 3.43Å
58Q65.7Low62.5Low115 Ų115119.1 Ų119.154%0.53762%0.617SS.*Hα-helixtrans-69-31175.2-155.181.68500112.3Q54 Q55 Q56 S61 A62Q54-Q58 VanDerWaalsContact O-CB 3.28Å; Q54-Q58 WeakPolarHBondContact O-CB 3.25Å; Q54-Q58 PolarHBondContact O-N 3.23Å; Q55-Q58 PolarHBondContact O-N 3.3Å; Q56-Q58 VanDerWaalsContact C-N 3.35Å; Q56-Q58 PolarHBondContact O-N 2.83Å; Q58-S61 WeakPolarHBondContact CA-OG 3.39Å; Q58-S61 PolarHBondContact NE2-OG 2.94Å; Q58-S61 PolarHBondContact O-N 3.48Å; Q58-S61 PolarHBondContact O-OG 3.46Å; Q58-A62 VanDerWaalsContact O-CB 3.25Å; Q58-A62 WeakPolarHBondContact O-CB 3.42Å; Q58-A62 PolarHBondContact O-N 2.85Å
59Q62Low60.4Low130 Ų130117.8 Ų117.861%0.60762%0.623SS**Hα-helixtrans-68.5-42.9172.4-76.5176.32.900111.1Q55 Q56 M57 S61 A62 T63Q55-Q59 WeakPolarHBondContact O-CG 3.43Å; Q55-Q59 PolarHBondContact O-N 3.37Å; Q56-Q59 PolarHBondContact O-N 2.99Å; M57-Q59 VanDerWaalsContact C-N 3.34Å; Q59-S61 VanDerWaalsContact C-N 3.28Å; Q59-S61 PolarHBondContact O-N 3.36Å; Q59-A62 PolarHBondContact O-N 3.11Å; Q59-T63 PolarHBondContact O-N 2.93Å; Q59-T63 PolarHBondContact O-OG1 3.48Å; Q59-T63 VanDerWaalsContact O-OG1 3.1Å
60L54.6Low58.6Low127 Ų127116.8 Ų116.867%0.66563%0.626SS**Hα-helixtrans-62.4-33.5171.8-84.681.1000112.4Q56 M57Q56-L60 HydrophobicContact CG-CD1 4.36Å; Q56-L60 WeakPolarHBondContact O-CD1 3.28Å; Q56-L60 PolarHBondContact O-N 3.33Å; M57-L60 PolarHBondContact O-N 2.88Å
61S57.2Low57.1Low57 Ų57117.5 Ų117.540%0.39964%0.638SS.*Hα-helixtrans-74.7-24.6171.678.90000113.8M57 Q58 Q59M57-S61 PolarHBondContact O-N 3.43Å; Q58-S61 WeakPolarHBondContact CA-OG 3.39Å; Q58-S61 PolarHBondContact NE2-OG 2.94Å; Q58-S61 PolarHBondContact O-N 3.48Å; Q58-S61 PolarHBondContact O-OG 3.46Å; Q59-S61 VanDerWaalsContact C-N 3.28Å; Q59-S61 PolarHBondContact O-N 3.36Å
62A50.5Low55Low55 Ų55121.8 Ų121.846%0.45566%0.656SS.*Hα-helixtrans-80.1-26.1179.500000112.7Q58 Q59 S64 M65Q58-A62 VanDerWaalsContact O-CB 3.25Å; Q58-A62 WeakPolarHBondContact O-CB 3.42Å; Q58-A62 PolarHBondContact O-N 2.85Å; Q59-A62 PolarHBondContact O-N 3.11Å; A62-S64 PolarHBondContact O-N 3.44Å; A62-S64 VanDerWaalsContact O-N 3.11Å; A62-M65 PolarHBondContact O-N 3.09Å
63T47.9Very low53.3Low118 Ų118124.7 Ų124.772%0.72467%0.668SS**THydrogen-bonded Turntrans-59.9-18.8171.6-500000112.4Q59 M65Q59-T63 PolarHBondContact O-N 2.93Å; Q59-T63 PolarHBondContact O-OG1 3.48Å; Q59-T63 VanDerWaalsContact O-OG1 3.1Å; T63-M65 VanDerWaalsContact C-N 3.31Å; T63-M65 PolarHBondContact O-N 2.96Å
64S49.7Very low51.7Low86 Ų86125.9 Ų125.960%0.60168%0.675SS**THydrogen-bonded Turntrans-76.6-7.7171.5-52.20000114.9A62A62-S64 PolarHBondContact O-N 3.44Å; A62-S64 VanDerWaalsContact O-N 3.11Å
65M47.9Very low50.1Low152 Ų152127.6 Ų127.675%0.74969%0.688SS**THydrogen-bonded Turntrans-106.3-14.3-169.7-67.5-75.79200115.6A62 T63 G67A62-M65 PolarHBondContact O-N 3.09Å; T63-M65 VanDerWaalsContact C-N 3.31Å; T63-M65 PolarHBondContact O-N 2.96Å; M65-G67 VanDerWaalsContact C-N 3.32Å; M65-G67 PolarHBondContact O-N 3.33Å
66W40.4Very low49.2Very low257 Ų257125 Ų12597%0.97369%0.693SS**SBendtrans-98.554.4167.1-16145.1000111.6
67G41.4Very low48.9Very low70 Ų70125.8 Ų125.872%0.72271%0.708SS**  trans-129.423.8178.900000113.4M65 L69M65-G67 VanDerWaalsContact C-N 3.32Å; M65-G67 PolarHBondContact O-N 3.33Å; G67-L69 PolarHBondContact O-N 2.95Å
68N37.8Very low48.2Very low148 Ų148128 Ų12879%0.79172%0.716SS**  trans-95.388.1-179.8-171.70.4000111.9S70N68-S70 PolarHBondContact OD1-N 2.92Å; N68-S70 VanDerWaalsContact OD1-N 3.09Å
69L35.9Very low47.4Very low159 Ų159131.1 Ų131.183%0.83273%0.728SS**SBendtrans-11679.3147.1-177.360000108.8G67G67-L69 PolarHBondContact O-N 2.95Å
70S44.1Very low46.6Very low93 Ų93133.2 Ų133.265%0.6574%0.743SS**  trans42.595.6152.261.90000118.3N68N68-S70 PolarHBondContact OD1-N 2.92Å; N68-S70 VanDerWaalsContact OD1-N 3.09Å
71G46.1Very low46.3Very low70 Ų70131.2 Ų131.272%0.72275%0.745SS**  trans102.294.6135.600000118
72F37.3Very low45.9Very low216 Ų216136.1 Ų136.195%0.94777%0.766SS**  -144.9154.9118.5-129.7-95.4000109.7
73H47.3Very low45.7Very low175 Ų175141.2 Ų141.281%0.8179%0.785SS**  trans-90.7158.1-175.2-86.684.5000112.7
74N42.3Very low45.6Very low137 Ų137144.9 Ų144.973%0.73379%0.794SS**  trans67.7109.7149.9-153.528.5000116.1
75L40.7Very low45.3Very low155 Ų155149.3 Ų149.381%0.81281%0.805SS**  -171.1174.882.9-93166.3000112
76G52.3Low44.6Very low64 Ų64147.3 Ų147.366%0.6681%0.806SS**  trans-76.3-179.7-179.700000116.1
77P62.4Low44.1Very low129 Ų129141.4 Ų141.484%0.83880%0.798SS**  trans-81.1135.1-167.132-35.7000114
78Q49.4Very low43.8Very low174 Ų174147.7 Ų147.781%0.81381%0.806SS**  trans-164171.9155.5-98.3-54.1-14.700108.9
79F48.1Very low43.4Very low181 Ų181147.7 Ų147.779%0.79481%0.812SS**  trans61.593.4167.5-95.7-99.7000118.4
80L44.5Very low43.4Very low174 Ų174143.8 Ų143.891%0.91181%0.81SS**  trans-138.382.3134.9-173.560.5000109.7
81A49.3Very low43Very low86 Ų86147.2 Ų147.271%0.71182%0.821SS**  trans-13242.8-178.300000111.8
82L48.8Very low42.5Very low159 Ų159148.1 Ų148.183%0.83282%0.822SS**  trans-156.1103172.7-166.470.7000111.8
83L46.3Very low42.3Very low163 Ų163145.5 Ų145.585%0.85382%0.817SS**  trans175.876.9134.8-171.462.9000110.6
84Q46.1Very low41.8Very low195 Ų195142 Ų14291%0.91181%0.812SS**  trans-125.182.2161-174.2168.539.700109.2
85Q43.3Very low41.3Very low179 Ų179142.8 Ų142.884%0.83682%0.816SS**  trans-160.184.9176.8-132.9176.688.200112
86S32.3Very low41Very low110 Ų110142 Ų14277%0.76981%0.812SS**  trans-172.479.5166.242.90000112.6
87T29.9Very low40.4Very low132 Ų132146.1 Ų146.181%0.8181%0.814SS**  trans-130.3100.9167.251.50000111.4
88F34.7Very low39.1Very low203 Ų203147 Ų14789%0.8981%0.807SS**  trans31114.7152.8-62.3-85.7000120.1
89T31.3Very low38.5Very low148 Ų148144.1 Ų144.191%0.90880%0.8SS**  trans-74.5137.4158.640.80000111.9
90G33.9Very low37.9Very low77 Ų77141.1 Ų141.179%0.79480%0.802SS**  trans-170.497.3177.600000113.6
91N35.9Very low37.3Very low164 Ų164136 Ų13688%0.87779%0.791SS**  trans-52.4140.4-167.3-71.4-14.5000119.1
92A36.8Very low36.9Very low90 Ų90139.8 Ų139.874%0.74480%0.799SS**  trans57.3110.8132.700000122.2
93L33.2Very low36.4Very low161 Ų161140.3 Ų140.384%0.84380%0.802SS**  -165.2150.9110.5-139.372.2000113.1
94S36.9Very low35.8Very low101 Ų101137 Ų13771%0.70679%0.793SS**  trans63.1132.3151.2-62.90000124.3
95N30.1Very low35.4Very low154 Ų154135.5 Ų135.582%0.82479%0.788SS**  trans71.286.9147.5-96-34.2000123.1
96L35.8Very low35.2Very low138 Ų138134 Ų13472%0.72378%0.781SS**  38.7132.4114.4-158.5113.7000122
97H39.4Very low35.6Very low151 Ų151136 Ų13670%0.69978%0.783SS**  trans72.3145.7161.3-83.9-169.3000119.2
98Q35.1Very low36.1Very low148 Ų148136.3 Ų136.369%0.69278%0.779SS**  cis-166.8161.7-27.5-143.4-162.538.300110
99V36.1Very low36.2Very low112 Ų112130.5 Ų130.568%0.67977%0.768SS**  trans65.2122.9163.4168.20000116.1
100S36Very low36.3Very low118 Ų118128.1 Ų128.183%0.82576%0.764SS**  cis93.5121.330.7-59.90000114.9
101G33Very low36.5Very low67 Ų67132.7 Ų132.769%0.69177%0.769SS**  trans13861.4179.400000113.3
102L39Very low36.2Very low166 Ų166129.3 Ų129.387%0.86976%0.758SS**  60.5112.598.5-69.9174.9000115.5
103N39.2Very low35.9Very low169 Ų169129.6 Ų129.690%0.90476%0.76SS**  trans-122.5136.1157.1-121.5-110.7000106.6
104S33.7Very low35.8Very low93 Ų93126.5 Ų126.565%0.6576%0.758SS**  trans-159.9162.2-176.965.30000112.4
105M37.4Very low35.5Very low164 Ų164125.8 Ų125.881%0.80876%0.758SS**  trans69.3143174.2-71.4-165.9-64.800117.1
106Q39.6Very low35.4Very low149 Ų149124.3 Ų124.370%0.69676%0.755SS**  cis-156.9151.3-19.2-170.664.5-3.500109.3
107N41.1Very low35Very low150 Ų150124.5 Ų124.580%0.80276%0.757SS**  trans-140.9122.3164.5-175.9-17.5000108.9
108L40.7Very low34.5Very low140 Ų140122.5 Ų122.573%0.73376%0.756SS**  trans-160.9117.7170.7-115149000113.3
109A35.8Very low34.2Very low81 Ų81124.7 Ų124.767%0.66977%0.766SS**  trans25.3124.4148.700000122.7
110A33.6Very low33.8Very low98 Ų98122.3 Ų122.381%0.8176%0.764SS**  38.3136121.500000122.4
111L37.6Very low33.5Very low173 Ų173123.8 Ų123.891%0.90677%0.768SS**  -151-175.8120.3-158.441000111.4
112S30.2Very low33.4Very low92 Ų92127.1 Ų127.164%0.64378%0.775SS**  trans-103.1152.9-161.157.10000115.7
113A30.7Very low33.1Very low96 Ų96124.8 Ų124.879%0.79377%0.773SS**  trans44.3151.9131.700000123.1
114A30.1Very low32.5Very low97 Ų97122.1 Ų122.180%0.80276%0.763SS**  trans92.6122159.200000119.2
115A31Very low32.7Very low86 Ų86121.8 Ų121.871%0.71176%0.761SS**  trans70.1124.914300000121.8
116T29.1Very low32.7Very low122 Ų122120.7 Ų120.775%0.74876%0.758SS**  trans58115.813753.90000121.7
117D27.2Very low32.4Very low142 Ų142119.6 Ų119.676%0.75976%0.755SS**  108.6140.3120.1-95-41000123.5
118T28.8Very low32.3Very low110 Ų110120.1 Ų120.168%0.67576%0.755SS**  trans50.2104.7153.252.10000122.3
119Q28.6Very low31.8Very low193 Ų193119 Ų11990%0.90276%0.755SS**  73.3122.2107.5-166.9-177.599.400121.5
120G27.7Very low31.9Very low63 Ų63120.1 Ų120.165%0.64975%0.753SS**  trans90.4154.2151.100000116.7
121T30.5Very low32.2Very low148 Ų148120.8 Ų120.891%0.90875%0.752SS**  cis-158.7143.1-14.1-7.20000109.2
122T29.6Very low32.3Very low138 Ų138117.9 Ų117.985%0.84775%0.746SS**  trans-100.6125-176.941.30000113.5
123S32.3Very low33.3Very low116 Ų116119 Ų11981%0.81175%0.753SS**  trans-175.7156.3168.8-88.10000111.1
124T27.7Very low34.7Very low114 Ų114119.8 Ų119.870%0.69975%0.751SS**  cis-165.7123.7-17-930000111
125S37.5Very low35Very low86 Ų86123.3 Ų123.360%0.60176%0.755SS**  trans47.4148.3148.783.80000126
126N36.5Very low35.2Very low140 Ų140124.4 Ų124.475%0.74976%0.758SS**  trans77.7154.3137.9-69-11.1000120
127I34.2Very low35.6Very low126 Ų126123 Ų12365%0.64676%0.758SS**  cis-160.2152.10.6-124.4166.5000114.5
128M38.3Very low35.8Very low161 Ų161124.8 Ų124.879%0.79377%0.767SS**  trans53167.7159.1-61.5-175.9-152.900120.1
129T31.8Very low36.2Very low118 Ų118124.3 Ų124.372%0.72477%0.774SS**  cis-166.4165.728.1-1480000110
130T37.1Very low36.5Very low103 Ų103118.9 Ų118.963%0.63277%0.77SS**  cis-171162.3-19.9200000110.7
131S40.5Very low36.9Very low112 Ų112122.2 Ų122.278%0.78378%0.783SS**  trans63.6153.2157.744.70000120.1
132S38.1Very low36.9Very low112 Ų112118.4 Ų118.478%0.78377%0.773SS**  cis-164.4170.7-3.739.20000113.1
133S51.9Low37.4Very low115 Ų115119.3 Ų119.380%0.80477%0.773SS**  trans-145.1167.8165.7-48.20000108.7
134P59.6Low37.3Very low114 Ų114123 Ų12374%0.7478%0.775SS**  -166.5166.386.644.9-23.5000120.8
135L37.2Very low37.7Very low170 Ų170124.6 Ų124.689%0.8978%0.777SS**  trans57.1152.1134.1-75.3167.3000128.3
136S34.4Very low37.4Very low109 Ų109128.6 Ų128.676%0.76279%0.792SS**  trans103.3124.1148.9-144.80000117.2
137A37.7Very low37.2Very low93 Ų93125.3 Ų125.377%0.76979%0.791SS**  cis102.9130.310.400000117.3
138L31.6Very low37.2Very low180 Ų180126 Ų12694%0.94280%0.796SS**  trans-157.5151.3164.3-172.657.2000110.5
139A36.8Very low36.9Very low99 Ų99125.3 Ų125.382%0.81879%0.789SS**  trans-158.4174.1-172.300000114.2
140G36.5Very low37Very low79 Ų79129 Ų12981%0.81479%0.791SS**  trans101.4150.317500000113.4
141S34.2Very low36.7Very low133 Ų133128.5 Ų128.593%0.9379%0.792SS**  cis-156.7165.1-3.3-165.80000107
142G30.7Very low36.4Very low68 Ų68129 Ų12970%0.70179%0.79SS**  cis-173.3-162.210.400000110
143N40.8Very low36.8Very low157 Ų157129.3 Ų129.384%0.8479%0.792SS**  trans-135.9129.4-166.6172.134.8000114.2
144K31.5Very low36.9Very low194 Ų194129.1 Ų129.184%0.84379%0.788SS**  trans-153.2115.1163-79.3-155.8177.3-176.30115.3
145I35.6Very low35.8Very low147 Ų147131.8 Ų131.875%0.75480%0.796SS**  trans22.4131.8141.455.7165.7000124
146N31.6Very low35.9Very low170 Ų170132.5 Ų132.591%0.90979%0.794SS**  trans67.5124133.8-161.16.6000121
147G30.4Very low36.8Very low71 Ų71133.1 Ų133.173%0.73280%0.796SS**  trans170.4148168.300000111.9
148N34.5Very low36.4Very low140 Ų140137.1 Ų137.175%0.74980%0.801SS**  trans-133.9164.4-176.6-169.921.9000111.8
149F31.8Very low36.5Very low148 Ų148131.9 Ų131.965%0.64979%0.79SS**  trans79.7147.8154.9-109.2-58.1000121.1
150Y33.8Very low36.3Very low195 Ų195136.8 Ų136.877%0.76579%0.793SS**  trans56.2151160.316.5-108.9000120.9
151S31.4Very low36.2Very low93 Ų93145.3 Ų145.365%0.6580%0.801SS**  cis-161.1155.5-9.4-159.60000113.5
152T34.9Very low36.1Very low123 Ų123148.8 Ų148.876%0.75580%0.799SS**  trans29.4130.2145.552.60000123.6
153S46.1Very low36.3Very low118 Ų118150.8 Ų150.883%0.82580%0.802SS**  trans-66.5156.1149.4-36.20000112.8
154P54.8Low36.5Very low110 Ų110149.7 Ų149.771%0.71480%0.804SS**  trans-121.2124.7169.724.7-5000116.5
155L35.7Very low36.5Very low171 Ų171143.7 Ų143.790%0.89580%0.797SS**  67124.4125.2-54.6172.9000122.4
156E39.3Very low36.3Very low184 Ų184145.3 Ų145.386%0.8680%0.801SS**  trans-80.7172.6156.2-51.6162.3101.300111.8
157P53.1Low36.1Very low122 Ų122142.7 Ų142.779%0.79279%0.787SS**  trans-135.8103.4150.435.2-19.7000116.3
158M30.6Very low36.1Very low178 Ų178146.2 Ų146.288%0.87779%0.788SS**  66.7113119.2-17217460.900122.6
159G33.6Very low36.1Very low70 Ų70145.7 Ų145.772%0.72279%0.79SS**  trans106.4160.4139.100000117.4
160K31.9Very low36.1Very low202 Ų202145.3 Ų145.388%0.87880%0.795SS**  cis-149.1157.4-1.7-61.9179-177.8170.90110.2
161W33.7Very low35.9Very low258 Ų258143.9 Ų143.998%0.97780%0.795SS**  trans-104.2128.5171.5-77.582.4000112.1
162K32Very low35.8Very low206 Ų206147.8 Ų147.890%0.89680%0.8SS**  trans-172.9138.9147.3-118.4-177.6176.1-177.80114.7
163S35.3Very low35.9Very low110 Ų110147.3 Ų147.377%0.76980%0.798SS**  trans-111.9175.8152.5-620000107.4
164P45.8Very low35.3Very low134 Ų134148.3 Ų148.387%0.8779%0.794SS**  cis-136.2-175.410.543.6-26.3000115.6
165G30.5Very low34.4Very low67 Ų67147.4 Ų147.469%0.69179%0.79SS**  trans150.611715400000119
166Q31.3Very low34.4Very low182 Ų182147.5 Ų147.585%0.8579%0.79SS**  trans63.4124.5136.7-67-161.9-95.800125
167D28.1Very low34.3Very low114 Ų114143.9 Ų143.961%0.6179%0.785SS**  77.9108.7128.5-71.7-71.5000125.7
168L30.2Very low33.6Very low145 Ų145142.5 Ų142.576%0.75978%0.779SS**  74.6144.6123.8-110.867.2000125.4
169V34Very low33.9Very low130 Ų130142.5 Ų142.579%0.78878%0.778SS**  trans71117154.6-62.20000125
170N32.4Very low34.2Very low139 Ų139142.9 Ų142.974%0.74378%0.775SS**  77.887125.9-157.7100.5000122.8
171E28.2Very low34.4Very low166 Ų166139.2 Ų139.278%0.77677%0.77SS**  34124.5117.5-159.4-159.813100121.4
172K29.9Very low34.8Very low174 Ų174134.1 Ų134.176%0.75776%0.76SS**  -171112.1123.3-153.1169.5-173.81730115.8
173T37.1Very low35.1Very low114 Ų114132 Ų13270%0.69976%0.758SS**  trans61.9157.5156.256.40000118.6
174N34.3Very low35.1Very low139 Ų139129.9 Ų129.974%0.74375%0.754SS**  cis-150.9160.810.5-140.70000113.9
175S34.5Very low34.5Very low90 Ų90129.8 Ų129.863%0.62975%0.746SS**  trans58.891.5151.6-54.90000121.4
176L36.1Very low34.5Very low174 Ų174135.9 Ų135.991%0.91175%0.754SS**  170.889.4109.8-91165.1000113.1
177S38Very low34.9Very low108 Ų108131.3 Ų131.376%0.75574%0.742SS**  trans-83.6169.2157.5-48.80000109.1
178S38.1Very low35.4Very low93 Ų93131.9 Ų131.965%0.6576%0.755SS**  cis-154.8162.719.9-34.90000108.3
179M37.7Very low35.6Very low177 Ų177128.8 Ų128.887%0.87276%0.758SS**  55.3140.163.4129.9-168.1162.200113.6
180A38.6Very low35.6Very low78 Ų78125.8 Ų125.865%0.64575%0.754SS**  cis-168.2-155.8-11.100000108.2
181T36.4Very low35.7Very low126 Ų126127.8 Ų127.877%0.77376%0.763SS**  trans76.2119.8160.6-50.30000114.9
182I42.2Very low35.9Very low150 Ų150124.3 Ų124.377%0.76976%0.757SS**  cis86.2108.444.1-61.4169.3000114.2
183N37.9Very low36.1Very low162 Ų162124.6 Ų124.687%0.86676%0.761SS**  trans54123.9150.6-16726.1000120.7
184G35.5Very low35.8Very low66 Ų66122.6 Ų122.668%0.6876%0.763SS**  trans166.8102.7158.200000118.8
185N34.4Very low35.7Very low132 Ų132122.6 Ų122.671%0.70677%0.774SS**  trans58.9116.7138.9-175.391.8000122
186F29.8Very low35.4Very low195 Ų195121.8 Ų121.886%0.85578%0.78SS**  -151158.8124.3-149.7-100.1000112.6
187S38.8Very low35.7Very low86 Ų86121 Ų12160%0.60178%0.776SS**  trans-116.2150.5-169.8-50.40000113
188S40.1Very low35.5Very low125 Ų125121.4 Ų121.487%0.87478%0.775SS**  trans-172.6138.8149.2-168.70000113.6
189G34.3Very low35.7Very low80 Ų80122.7 Ų122.783%0.82578%0.778SS**  trans82.8152.7155.100000118.3
190G33.7Very low35.9Very low68 Ų68121.8 Ų121.870%0.70177%0.772SS**  trans-171.7-174.4175.500000111.7
191L34.3Very low36Very low180 Ų180122.5 Ų122.594%0.94278%0.778SS**  trans68.6156.1-174.9-51.1-179.9000113.5
192S32.8Very low36.3Very low93 Ų93124.9 Ų124.965%0.6579%0.785SS**  cis-161.7164.7-24.9179.20000108.8
193H32.9Very low37Very low181 Ų181122.9 Ų122.984%0.83878%0.784SS**  trans-5.3122.9167.2-61.480000120.4
194G31.2Very low37.6Very low72 Ų72123.8 Ų123.874%0.74278%0.783SS**  99.7132.4103.900000120.8
195S31.8Very low37.9Very low139 Ų139125.2 Ų125.297%0.97279%0.788SS**  trans72.7153159-154.90000118.9
196G29.2Very low38.2Very low73 Ų73129.8 Ų129.875%0.75380%0.797SS**  trans120.4113168.900000115.4
197N42.3Very low38.8Very low156 Ų156126.1 Ų126.183%0.83480%0.796SS**  trans-93.2153.5162.3-62.1-80.7000109.7
198T32.7Very low38.8Very low118 Ų118125 Ų12572%0.72480%0.798SS**  trans158.7158134.538.70000112.6
199V42.8Very low38.9Very low119 Ų119126.1 Ų126.172%0.72179%0.793SS**  trans58.9100168.9-62.30000116.9
200E42.8Very low39.3Very low159 Ų159129.2 Ų129.274%0.74379%0.786SS**  cis80.524.628.2-44.3154.486.400115.6
201A40.2Very low39.5Very low92 Ų92135.3 Ų135.376%0.7680%0.796SS**SBendtrans-95.8-10.9-174.100000117.9
202L43.5Very low39.7Very low177 Ų177136.1 Ų136.193%0.92779%0.788SS**SBendtrans-132.520.6-177.4-75.6176.7000114.7
203S55.6Low39.6Very low107 Ų107136.4 Ų136.475%0.74880%0.796SS**SBendtrans-94.66.1-173.6-163.70000115.7
204Q51.8Low39.5Very low181 Ų181133 Ų13385%0.84680%0.799SS**SBendtrans-123.717-164.2-61.9-166.62.900116
205A41.3Very low39.9Very low96 Ų96134.3 Ų134.379%0.79380%0.803SS**SBendtrans-104.3-6.7-17900000115.6
206Y39.9Very low40.1Very low228 Ų228132 Ų13289%0.89479%0.793SS**  trans-146.650.1-176.4-138.8-100.2000114.6G208Y206-G208 PolarHBondContact O-N 3.07Å
207S43.6Very low40.5Very low118 Ų118136.7 Ų136.783%0.82580%0.799SS**  trans-72.3102.416637.80000110.4
208G37.2Very low40.6Very low62 Ų62135 Ų13564%0.63980%0.797SS**  trans-133.716.8-168.300000117.4Y206Y206-G208 PolarHBondContact O-N 3.07Å
209I43.8Very low40.6Very low150 Ų150136.9 Ų136.977%0.76980%0.802SS**  trans52.183162.8-54.6166.8000116.3
210Q41.1Very low40.6Very low144 Ų144140.9 Ų140.967%0.67381%0.81SS**  32.7122.7121.5-58.6167.5-0.200119.8Y212Q210-Y212 HydrophobicContact CB-CE2 4.48Å
211Q39.1Very low40.2Very low196 Ų196143 Ų14392%0.91681%0.813SS**  trans-130.682.9141.8-73.8-160.6-15.700112.2
212Y38.5Very low40.1Very low197 Ų197145 Ų14577%0.77381%0.811SS**  trans36.2138.1142.7-75.9-92.8000123.8Q210Q210-Y212 HydrophobicContact CB-CE2 4.48Å
213A31.2Very low40.1Very low100 Ų100145.4 Ų145.483%0.82681%0.808SS**  trans76.668.3142.500000119.7
214A30.9Very low39.4Very low109 Ų109144.4 Ų144.490%0.90180%0.801SS**  trans-122.8117.714100000108.6
215A39.2Very low38.7Very low99 Ų99143.3 Ų143.382%0.81880%0.8SS**  trans-125.8125.9-176.100000111.5
216A36.3Very low38.4Very low92 Ų92146.1 Ų146.176%0.7680%0.801SS**  trans46.5107.7163.300000119.1
217L37Very low38.6Very low170 Ų170141 Ų14189%0.8980%0.799SS**  -150.3140.8101.3-82.8-168.1000109.9
218P43.9Very low38.9Very low121 Ų121144.4 Ų144.479%0.78680%0.802SS**  trans-89.2125.5174.333.6-30000110.7
219N34.1Very low39.1Very low157 Ų157146.3 Ų146.384%0.8479%0.794SS**  trans-130.2132.1171.8-144.996.8000110.8
220F40.9Very low38.8Very low203 Ų203143.8 Ų143.889%0.8978%0.782SS**  trans-56.9136174.9-95.2-117.3000110.9
221Y35.7Very low38.9Very low205 Ų205142.7 Ų142.780%0.80478%0.784SS**  trans-149141.1152-155.4-103.4000112.3
222N37.8Very low38.9Very low132 Ų132136.8 Ų136.871%0.70677%0.765SS**  trans-85.9125.8175.9179-91.1000109.6S224N222-S224 PolarHBondContact O-N 3.1Å
223Q43.3Very low39.1Very low187 Ų187132.8 Ų132.887%0.87477%0.773SS**  trans-76.293.2-177.5-176.6-170.591.600111.5
224S40.1Very low39.3Very low85 Ų85131.4 Ų131.459%0.59476%0.761SS**  trans-167.2149.2152.7-90.50000112.8N222N222-S224 PolarHBondContact O-N 3.1Å
225L37Very low39.9Very low159 Ų159129.9 Ų129.983%0.83276%0.756SS**  trans55.794.5169.5-51.5-178.1000117.5
226L36.9Very low40.2Very low154 Ų154129.6 Ų129.681%0.80675%0.748SS**  trans-158.977.2138-13976.7000112.5Q228L226-Q228 PolarHBondContact O-N 3.06Å
227S43.9Very low41.2Very low121 Ų121129.3 Ų129.385%0.84673%0.731SS**  trans-73109.7168.853.90000110.5
228Q49.9Very low42.7Very low190 Ų190125.4 Ų125.489%0.88871%0.707SS**SBendtrans64.173.1164.3-158.6-168.3127.100116.9L226L226-Q228 PolarHBondContact O-N 3.06Å
229Q40.6Very low44.1Very low102 Ų102125 Ų12548%0.47769%0.694SS.*  trans-131.198.6142.6-160.4163.9700111.9V231 N269Q229-V231 PolarHBondContact O-N 2.74Å; Q229-N269 PolarHBondContact NE2-OD1 2.88Å
230N37.4Very low46.2Very low97 Ų97118.1 Ų118.152%0.51966%0.661SS.*  trans-7390.3173178.5-74.8000109.9S232 K238N230-S232 VanDerWaalsContact C-N 3.27Å; N230-S232 PolarHBondContact ND2-OG 3.06Å; N230-S232 WeakPolarHBondContact OD1-CB 3.19Å; N230-S232 PolarHBondContact OD1-N 3.38Å; N230-S232 PolarHBondContact OD1-OG 2.91Å; N230-K238 PolarHBondContact O-NZ 2.77Å; N230-K238 PolarHBondContact OD1-NZ 3.34Å; N230-K238 VanDerWaalsContact OD1-NZ 3.13Å
231V43.3Very low48.1Very low120 Ų120111.6 Ų111.673%0.72764%0.639SS**  trans-93.953.6158.4-89.90000109.9Q229 A233Q229-V231 PolarHBondContact O-N 2.74Å; V231-A233 PolarHBondContact O-N 3.09Å
232S40Very low50.3Low73 Ų73108.4 Ų108.451%0.5163%0.631SS.*  trans-64.6116.7166.4-68.90000109.5N230 A234N230-S232 VanDerWaalsContact C-N 3.27Å; N230-S232 PolarHBondContact ND2-OG 3.06Å; N230-S232 WeakPolarHBondContact OD1-CB 3.19Å; N230-S232 PolarHBondContact OD1-N 3.38Å; N230-S232 PolarHBondContact OD1-OG 2.91Å; S232-A234 VanDerWaalsContact C-N 3.33Å; S232-A234 PolarHBondContact O-N 2.85Å
233A42.7Very low52.5Low113 Ų113103.2 Ų103.293%0.93461%0.609SS**  trans-69.387173.500000110.8V231V231-A233 PolarHBondContact O-N 3.09Å
234A35.6Very low54.7Low71 Ų7194.3 Ų94.359%0.58757%0.568SS**  trans-145.6137.3172.700000109.9S232 S236S232-A234 VanDerWaalsContact C-N 3.33Å; S232-A234 PolarHBondContact O-N 2.85Å; A234-S236 PolarHBondContact O-N 2.99Å
235G43Very low57.1Low76 Ų7690.7 Ų90.778%0.78454%0.542SS*.  trans-69.714.1-171.800000116.9Q237G235-Q237 PolarHBondContact O-N 3.45Å
236S44.1Very low59.7Low93 Ų9383.1 Ų83.165%0.6550%0.502SS*.  trans-69.1120.7175.8-62.40000110.3A234 K238A234-S236 PolarHBondContact O-N 2.99Å; S236-K238 PolarHBondContact O-N 3.38Å
237Q58.7Low62.4Low86 Ų8678.7 Ų78.740%0.40248%0.476SS..  trans-7282.2169.3-65.3-161.9-105.600109.5G235 E239 K274G235-Q237 PolarHBondContact O-N 3.45Å; Q237-E239 PolarHBondContact O-N 3.18Å; Q237-K274 HydrophobicContact CG-CD 4.42Å
238K68.3Low64.7Low88 Ų8872.9 Ų72.938%0.38344%0.436SS..  trans-63.7113.9163.438.3-178.8179.6179.50107.6N230 S236 I271 S272N230-K238 PolarHBondContact O-NZ 2.77Å; N230-K238 PolarHBondContact OD1-NZ 3.34Å; N230-K238 VanDerWaalsContact OD1-NZ 3.13Å; S236-K238 PolarHBondContact O-N 3.38Å; K238-I271 HydrophobicContact CB-CG2 3.82Å; K238-I271 HydrophobicContact CD-CG2 3.94Å; K238-I271 WeakPolarHBondContact CE-O 3.35Å; K238-I271 HydrophobicContact CG-CG2 3.65Å; K238-I271 VanDerWaalsContact O-CG2 3.28Å; K238-I271 WeakPolarHBondContact O-CG2 3.38Å; K238-S272 WeakPolarHBondContact O-CB 3.37Å
239E73.9Confident66.6Low112 Ų11267.8 Ų67.852%0.52341%0.409SS..  trans-95.2127.1173.2-59.2-162.150.800108.1Q237 K320Q237-E239 PolarHBondContact O-N 3.18Å; E239-K320 VanDerWaalsContact CD-NZ 3.28Å; E239-K320 IonicContact OE1-NZ 3.38Å; E239-K320 PolarHBondContact OE1-NZ 3.3Å; E239-K320 IonicContact OE2-NZ 2.59Å; E239-K320 PolarHBondContact OE2-NZ 3.36Å
240G76.8Confident69Low14 Ų1467.7 Ų67.714%0.14441%0.408CS..  trans-73.8-177.3171.600000111.8N245 S291G240-N245 PolarHBondContact O-ND2 3.39Å; G240-S291 PolarHBondContact N-OG 3.41Å
241P82.1Confident71.5Confident65 Ų6563 Ų6342%0.42238%0.384SS..SBendtrans-58.6157.4-173.722.7-31.8000113.1G243 A244 N245 D293P241-G243 PolarHBondContact O-N 3.36Å; P241-A244 HydrophobicContact CG-CB 3.92Å; P241-A244 VanDerWaalsContact O-CB 3.31Å; P241-A244 WeakPolarHBondContact O-CB 3.22Å; P241-A244 PolarHBondContact O-N 2.86Å; P241-N245 PolarHBondContact O-ND2 3.25Å; P241-D293 VanDerWaalsContact CD-O 3.28Å; P241-D293 WeakPolarHBondContact CD-O 3.37Å; P241-D293 WeakPolarHBondContact CG-O 3.42Å
242E81.5Confident73.6Confident138 Ų13858.2 Ų58.265%0.64535%0.354SS*.THydrogen-bonded Turntrans-60.4140.2176.167.4179.8104.200111A244E242-A244 VanDerWaalsContact C-N 3.29Å; E242-A244 PolarHBondContact O-N 2.97Å
243G84.1Confident75.8Confident24 Ų2460 Ų6025%0.24736%0.355CS..THydrogen-bonded Turntrans78.7-2.9-168.900000116P241 P295 S298 L319P241-G243 PolarHBondContact O-N 3.36Å; G243-P295 WeakPolarHBondContact O-CA 3.29Å; G243-P295 VanDerWaalsContact O-CB 3.31Å; G243-P295 WeakPolarHBondContact O-CB 3.45Å; G243-S298 PolarHBondContact O-OG 2.82Å; G243-L319 WeakPolarHBondContact O-CD1 3.42Å
244A89.3Confident77.9Confident0 Ų063 Ų630%035%0.35CS..SBendtrans-100.32.5170.700000114.2P241 E242 Y292P241-A244 HydrophobicContact CG-CB 3.92Å; P241-A244 VanDerWaalsContact O-CB 3.31Å; P241-A244 WeakPolarHBondContact O-CB 3.22Å; P241-A244 PolarHBondContact O-N 2.86Å; E242-A244 VanDerWaalsContact C-N 3.29Å; E242-A244 PolarHBondContact O-N 2.97Å; A244-Y292 WeakPolarHBondContact CB-O 3.41Å; A244-Y292 PolarHBondContact O-N 2.78Å
245N91Very high80.3Confident9 Ų961.4 Ų61.45%0.04833%0.33CS..EExtended strand (participates in β ladder)trans-105.3138.7-171.9-71.5-91.9000110.9G240 P241 F289 S291 K320G240-N245 PolarHBondContact O-ND2 3.39Å; P241-N245 PolarHBondContact O-ND2 3.25Å; N245-F289 HydrophobicContact CB-CE2 4.08Å; N245-F289 HydrophobicContact CB-CZ 3.92Å; N245-F289 VanDerWaalsContact OD1-CZ 3.23Å; N245-F289 WeakPolarHBondContact OD1-CZ 3.19Å; N245-S291 WeakPolarHBondContact OD1-CB 3.22Å; N245-S291 PolarHBondContact OD1-OG 3.23Å; N245-K320 HydrophobicContact CB-CB 3.6Å; N245-K320 HydrophobicContact CB-CD 3.92Å; N245-K320 HydrophobicContact CB-CG 4.36Å; N245-K320 WeakPolarHBondContact O-CB 3.35Å; N245-K320 PolarHBondContact O-N 3.22Å
246L91.6Very high82.4Confident0 Ų058.9 Ų58.90%030%0.304CS..EExtended strand (participates in β ladder)trans-130.2144.4-172.2-59.3-175.1000113.1I248 F264 F289 V290 Y292 A301 I302 V317 Q318 L319L246-I248 HydrophobicContact CB-CD1 4.16Å; L246-F264 HydrophobicContact CD1-CD1 4.31Å; L246-F264 HydrophobicContact CD1-CE1 3.98Å; L246-F289 WeakPolarHBondContact O-CA 3.48Å; L246-F289 WeakPolarHBondContact O-CD2 3.23Å; L246-V290 WeakPolarHBondContact CA-O 3.3Å; L246-V290 HydrophobicContact CB-CB 4.43Å; L246-V290 PolarHBondContact N-O 3.44Å; L246-V290 PolarHBondContact O-N 2.79Å; L246-Y292 HydrophobicContact CD1-CD2 4.13Å; L246-Y292 HydrophobicContact CD1-CE2 3.69Å; L246-A301 HydrophobicContact CD1-CB 3.98Å; L246-I302 HydrophobicContact CD1-CG1 4.47Å; L246-I302 HydrophobicContact CD2-CD1 3.49Å; L246-I302 VanDerWaalsContact CD2-CD1 3.49Å; L246-I302 HydrophobicContact CD2-CG1 3.58Å; L246-V317 HydrophobicContact CB-CG1 4.41Å; L246-V317 HydrophobicContact CD1-CG1 3.9Å; L246-V317 HydrophobicContact CD2-CG1 4.5Å; L246-Q318 CarbonylContact C-O 3.55Å; L246-Q318 WeakPolarHBondContact CA-O 3.35Å; L246-L319 HydrophobicContact CD2-CD1 4.09Å
247F92.3Very high84.6Confident60 Ų6057.2 Ų57.226%0.26329%0.287SS..EExtended strand (participates in β ladder)trans-107.4133.8162.7-74.6-64.4000111Y249 F289 V317 Q318 K320F247-Y249 HydrophobicContact CB-CD2 4.34Å; F247-Y249 HydrophobicContact CB-CE2 3.48Å; F247-Y249 VanDerWaalsContact CB-CE2 3.48Å; F247-Y249 HydrophobicContact CG-CE2 4.38Å; F247-F289 AromaticContact CD1-CD2 3.89Å; F247-F289 HydrophobicContact CD1-CD2 3.89Å; F247-F289 AromaticContact CE1-CD2 3.85Å; F247-F289 HydrophobicContact CE1-CD2 3.85Å; F247-F289 HydrophobicContact CZ-CD2 4.46Å; F247-V317 WeakPolarHBondContact O-CA 3.43Å; F247-Q318 PolarHBondContact N-O 2.92Å; F247-Q318 PolarHBondContact O-N 2.81Å; F247-K320 HydrophobicContact CD2-CB 4.29Å; F247-K320 HydrophobicContact CD2-CG 4.12Å; F247-K320 HydrophobicContact CE2-CB 4.21Å; F247-K320 HydrophobicContact CE2-CG 3.55Å; F247-K320 HydrophobicContact CZ-CG 4.01Å
248I92.1Very high86Confident0 Ų058.9 Ų58.90%030%0.295CS..EExtended strand (participates in β ladder)trans-115.8129.6177.8-54.675.4000108.4L246 L251 L260 F264 F287 G288 V290 K316 V317L246-I248 HydrophobicContact CB-CD1 4.16Å; I248-L251 HydrophobicContact CB-CD1 4.28Å; I248-L251 HydrophobicContact CG2-CD1 4.08Å; I248-L251 HydrophobicContact CG2-CD2 3.85Å; I248-L251 HydrophobicContact CG2-CG 3.82Å; I248-L260 HydrophobicContact CG1-CD1 4.29Å; I248-F264 HydrophobicContact CD1-CE1 4.38Å; I248-F264 HydrophobicContact CD1-CZ 4.1Å; I248-F264 HydrophobicContact CG1-CE1 4.16Å; I248-F264 HydrophobicContact CG1-CE2 3.98Å; I248-F264 HydrophobicContact CG1-CZ 3.47Å; I248-F264 VanDerWaalsContact CG1-CZ 3.47Å; I248-F287 CarbonylContact O-C 3.51Å; I248-F287 WeakPolarHBondContact O-CA 3.5Å; I248-F287 WeakPolarHBondContact O-CB 3.41Å; I248-G288 PolarHBondContact N-O 3.27Å; I248-G288 PolarHBondContact O-N 3.48Å; I248-V290 HydrophobicContact CD1-CB 3.84Å; I248-V290 HydrophobicContact CD1-CG2 3.59Å; I248-K316 WeakPolarHBondContact CA-O 3.19Å; I248-V317 HydrophobicContact CG1-CG1 4.34Å; I248-V317 HydrophobicContact CG1-CG2 4.22Å; I248-V317 HydrophobicContact CG2-CG2 4.26Å
249Y91.6Very high87Confident82 Ų8258 Ų5832%0.32230%0.295SS..EExtended strand (participates in β ladder)trans-122.7159.5179.1-57.3-98.6000111.3F247 L251 C286 F287 L315 K316F247-Y249 HydrophobicContact CB-CD2 4.34Å; F247-Y249 HydrophobicContact CB-CE2 3.48Å; F247-Y249 VanDerWaalsContact CB-CE2 3.48Å; F247-Y249 HydrophobicContact CG-CE2 4.38Å; Y249-L251 VanDerWaalsContact C-N 3.29Å; Y249-L251 PolarHBondContact O-N 3.12Å; Y249-C286 CarbonylContact C-O 3.47Å; Y249-F287 HydrophobicContact CD1-CB 4.04Å; Y249-L315 WeakPolarHBondContact O-CA 3.13Å; Y249-K316 PolarHBondContact N-O 3.07Å; Y249-K316 PolarHBondContact O-N 3.24Å
250H89.9Confident87.8Confident100 Ų10052.7 Ų52.746%0.46327%0.27SS..SBendtrans65.222.3-177.7-44.4149.7000115.4C286 K313 R314H250-C286 WeakPolarHBondContact CA-O 3.26Å; H250-C286 PolarHBondContact N-O 3.06Å; H250-K313 VanDerWaalsContact O-CE 3.29Å; H250-K313 WeakPolarHBondContact O-CE 3.5Å; H250-R314 WeakPolarHBondContact CB-O 3.28Å; H250-R314 PolarHBondContact ND1-O 2.91Å
251L89.9Confident88.4Confident0 Ų054 Ų540%027%0.273CS..  trans-52.4150.3171.6-71.9162.1000111.2I248 Y249 F255 L260 M263 I275 C286 K313 L315I248-L251 HydrophobicContact CB-CD1 4.28Å; I248-L251 HydrophobicContact CG2-CD1 4.08Å; I248-L251 HydrophobicContact CG2-CD2 3.85Å; I248-L251 HydrophobicContact CG2-CG 3.82Å; Y249-L251 VanDerWaalsContact C-N 3.29Å; Y249-L251 PolarHBondContact O-N 3.12Å; L251-F255 HydrophobicContact CB-CB 4.45Å; L251-F255 HydrophobicContact CD2-CD1 3.81Å; L251-F255 HydrophobicContact CD2-CE1 4.39Å; L251-F255 HydrophobicContact CD2-CG 4.29Å; L251-L260 HydrophobicContact CD1-CD1 4.13Å; L251-L260 HydrophobicContact CD2-CD1 3.95Å; L251-M263 HydrophobicContact CD2-CE 4.3Å; L251-I275 HydrophobicContact CD1-CD1 3.86Å; L251-I275 HydrophobicContact CD1-CG1 4.11Å; L251-C286 PolarHBondContact N-O 2.98Å; L251-C286 VanDerWaalsContact O-CB 3.22Å; L251-C286 WeakPolarHBondContact O-CB 3.36Å; L251-C286 PolarHBondContact O-SG 2.94Å; L251-C286 VanDerWaalsContact O-SG 3.38Å; L251-K313 PolarHBondContact O-NZ 2.81Å; L251-L315 HydrophobicContact CD2-CD2 3.87Å; L251-L315 HydrophobicContact CG-CD2 4.26Å
252P86.4Confident88.8Confident18 Ų1856.6 Ų56.612%0.11728%0.28CS..  trans-55.5160.1167.1-24.735.4000112E254 F255 I310P252-E254 PolarHBondContact O-N 3.16Å; P252-F255 HydrophobicContact CB-CD2 3.87Å; P252-F255 HydrophobicContact CG-CD2 3.54Å; P252-F255 HydrophobicContact CG-CE2 3.93Å; P252-F255 HydrophobicContact CG-CG 4.3Å; P252-I310 HydrophobicContact CG-CB 4.48Å; P252-I310 HydrophobicContact CG-CD1 3.76Å; P252-I310 HydrophobicContact CG-CG1 3.86Å; P252-I310 HydrophobicContact CG-CG2 3.84Å
253Q86.8Confident89.1Confident112 Ų11251.7 Ų51.752%0.52326%0.257SS..THydrogen-bonded Turntrans-68.1-30.9173.2-173.7-179.4-70.400111.6F255 L283 S284Q253-F255 VanDerWaalsContact C-N 3.33Å; Q253-L283 HydrophobicContact CG-CB 4.32Å; Q253-L283 HydrophobicContact CG-CG 4.1Å; Q253-L283 VanDerWaalsContact OE1-CD2 3.25Å; Q253-S284 VanDerWaalsContact O-CB 3.25Å; Q253-S284 WeakPolarHBondContact O-CB 3.28Å
254E86.1Confident89.3Confident176 Ų17650.6 Ų50.682%0.82225%0.245SC*.THydrogen-bonded Turntrans-80.1-9.5-177.2-63.3163.2106.200113.7P252 G256P252-E254 PolarHBondContact O-N 3.16Å; E254-G256 PolarHBondContact O-N 3.33Å
255F86.1Confident89.3Confident37 Ų3754.2 Ų54.216%0.16227%0.265CS..  trans-73.8122.3177.9-103.8-116.6000111L251 P252 Q253 D259 M263 I275 I310L251-F255 HydrophobicContact CB-CB 4.45Å; L251-F255 HydrophobicContact CD2-CD1 3.81Å; L251-F255 HydrophobicContact CD2-CE1 4.39Å; L251-F255 HydrophobicContact CD2-CG 4.29Å; P252-F255 HydrophobicContact CB-CD2 3.87Å; P252-F255 HydrophobicContact CG-CD2 3.54Å; P252-F255 HydrophobicContact CG-CE2 3.93Å; P252-F255 HydrophobicContact CG-CG 4.3Å; Q253-F255 VanDerWaalsContact C-N 3.33Å; F255-D259 HydrophobicContact CD1-CB 3.74Å; F255-D259 HydrophobicContact CE1-CB 3.83Å; F255-D259 HydrophobicContact CG-CB 4.13Å; F255-D259 HydrophobicContact CZ-CB 4.3Å; F255-M263 HydrophobicContact CD1-CE 4.34Å; F255-M263 HydrophobicContact CE1-CE 3.5Å; F255-M263 VanDerWaalsContact CE1-CE 3.5Å; F255-M263 HydrophobicContact CE1-SD 3.67Å; F255-M263 HydrophobicContact CZ-CE 4.14Å; F255-M263 HydrophobicContact CZ-SD 3.77Å; F255-I275 HydrophobicContact CB-CD1 3.87Å; F255-I275 WeakPolarHBondContact O-CD1 3.39Å; F255-I310 HydrophobicContact CD2-CD1 4.42Å; F255-I310 HydrophobicContact CE2-CD1 3.48Å; F255-I310 VanDerWaalsContact CE2-CD1 3.48Å; F255-I310 HydrophobicContact CZ-CD1 3.73Å
256G88.8Confident89.3Confident23 Ų2358.6 Ų58.624%0.23729%0.294CS..  trans-99.9177.3169.600000113.3E254 Q258 D259 L260 I275E254-G256 PolarHBondContact O-N 3.33Å; G256-Q258 PolarHBondContact O-N 3.08Å; G256-D259 WeakPolarHBondContact CA-OD2 3.24Å; G256-D259 PolarHBondContact N-OD2 2.82Å; G256-D259 PolarHBondContact O-N 3.3Å; G256-L260 PolarHBondContact O-N 2.86Å; G256-L260 VanDerWaalsContact O-N 3.11Å; G256-I275 WeakPolarHBondContact O-CD1 3.49Å
257D88.8Confident89.1Confident57 Ų5761.1 Ų61.131%0.30530%0.304SS..Hα-helixtrans-60.6-32.8-179.8-48.9-102.2000112.3L261 K274 I275D257-L261 WeakPolarHBondContact O-CB 3.47Å; D257-L261 PolarHBondContact O-N 3.37Å; D257-K274 VanDerWaalsContact OD1-CA 3.23Å; D257-K274 WeakPolarHBondContact OD1-CA 3.38Å; D257-K274 IonicContact OD1-NZ 3.8Å; D257-I275 PolarHBondContact OD1-N 3.1Å
258Q89Confident88.9Confident121 Ų12159.2 Ų59.257%0.56530%0.302SS*.Hα-helixtrans-69.7-44.6176.9-80.4-67.2109.500112.7G256 L260 L261 Q262G256-Q258 PolarHBondContact O-N 3.08Å; Q258-L260 VanDerWaalsContact C-N 3.28Å; Q258-L260 PolarHBondContact O-N 3.09Å; Q258-L261 PolarHBondContact O-N 2.92Å; Q258-L261 VanDerWaalsContact O-N 3.17Å; Q258-Q262 WeakPolarHBondContact O-CB 3.08Å; Q258-Q262 PolarHBondContact O-N 3Å
259D89.6Confident88.8Confident70 Ų7062 Ų6237%0.37432%0.317SS..Hα-helixtrans-63.5-39.8176.9-48.2-79.1000110.6F255 G256 Q262 M263F255-D259 HydrophobicContact CD1-CB 3.74Å; F255-D259 HydrophobicContact CE1-CB 3.83Å; F255-D259 HydrophobicContact CG-CB 4.13Å; F255-D259 HydrophobicContact CZ-CB 4.3Å; G256-D259 WeakPolarHBondContact CA-OD2 3.24Å; G256-D259 PolarHBondContact N-OD2 2.82Å; G256-D259 PolarHBondContact O-N 3.3Å; D259-Q262 PolarHBondContact O-N 3.21Å; D259-M263 WeakPolarHBondContact O-CB 3.42Å; D259-M263 PolarHBondContact O-N 2.81Å
260L90.1Very high88.8Confident0 Ų058.7 Ų58.70%031%0.305CS..Hα-helixtrans-64-39.6174.5-167.667.4000111.7I248 L251 G256 Q258 M263 F264 A273 I275 V290I248-L260 HydrophobicContact CG1-CD1 4.29Å; L251-L260 HydrophobicContact CD1-CD1 4.13Å; L251-L260 HydrophobicContact CD2-CD1 3.95Å; G256-L260 PolarHBondContact O-N 2.86Å; G256-L260 VanDerWaalsContact O-N 3.11Å; Q258-L260 VanDerWaalsContact C-N 3.28Å; Q258-L260 PolarHBondContact O-N 3.09Å; L260-M263 HydrophobicContact CD1-CE 4.37Å; L260-F264 HydrophobicContact CD1-CD2 3.91Å; L260-F264 HydrophobicContact CD1-CE2 3.67Å; L260-F264 HydrophobicContact CG-CD2 4.41Å; L260-F264 WeakPolarHBondContact O-CB 3.46Å; L260-F264 VanDerWaalsContact O-CD2 3.24Å; L260-F264 WeakPolarHBondContact O-CD2 3.49Å; L260-F264 PolarHBondContact O-N 2.87Å; L260-A273 HydrophobicContact CD2-CB 4.43Å; L260-I275 HydrophobicContact CB-CD1 4.12Å; L260-I275 HydrophobicContact CB-CG1 4.3Å; L260-I275 HydrophobicContact CD2-CD1 4.28Å; L260-I275 HydrophobicContact CD2-CG1 3.7Å; L260-V290 HydrophobicContact CD1-CG2 4.19Å; L260-V290 HydrophobicContact CD2-CG2 3.7Å; L260-V290 HydrophobicContact CG-CG2 3.64Å
261L89.5Confident88.7Confident41 Ų4156.2 Ų56.222%0.21530%0.295CS..Hα-helixtrans-66.1-52.3174.6-173.8136.6000111.2D257 Q258 M263 F264 L265 V270 A273D257-L261 WeakPolarHBondContact O-CB 3.47Å; D257-L261 PolarHBondContact O-N 3.37Å; Q258-L261 PolarHBondContact O-N 2.92Å; Q258-L261 VanDerWaalsContact O-N 3.17Å; L261-M263 VanDerWaalsContact C-N 3.32Å; L261-M263 PolarHBondContact O-N 2.91Å; L261-F264 PolarHBondContact O-N 3.47Å; L261-L265 HydrophobicContact CD2-CD1 3.82Å; L261-L265 HydrophobicContact CD2-CD2 4.29Å; L261-L265 HydrophobicContact CD2-CG 3.92Å; L261-L265 HydrophobicContact CG-CG 4.48Å; L261-L265 WeakPolarHBondContact O-CG 2.98Å; L261-L265 PolarHBondContact O-N 2.91Å; L261-V270 HydrophobicContact CD1-CB 4.43Å; L261-V270 HydrophobicContact CD1-CG1 4.05Å; L261-V270 HydrophobicContact CG-CB 4.41Å; L261-V270 HydrophobicContact CG-CG1 4.28Å; L261-A273 HydrophobicContact CB-CB 3.98Å; L261-A273 HydrophobicContact CD1-CB 4.42Å
262Q89.5Confident88.5Confident120 Ų12057 Ų5756%0.56130%0.301SS*.Hα-helixtrans-59.7-38.7-179.7-77.8175.3-127.400112.9Q258 D259 F264 P266Q258-Q262 WeakPolarHBondContact O-CB 3.08Å; Q258-Q262 PolarHBondContact O-N 3Å; D259-Q262 PolarHBondContact O-N 3.21Å; Q262-F264 VanDerWaalsContact C-N 3.31Å; Q262-F264 PolarHBondContact O-N 3.49Å; Q262-P266 WeakPolarHBondContact O-CD 3.46Å
263M87.8Confident88.7Confident36 Ų3657 Ų5718%0.17730%0.302CS..Hα-helixtrans-70.2-25.1176.8-172.5169.373.600113.1L251 F255 D259 L260 L261 F267 M305 L315L251-M263 HydrophobicContact CD2-CE 4.3Å; F255-M263 HydrophobicContact CD1-CE 4.34Å; F255-M263 HydrophobicContact CE1-CE 3.5Å; F255-M263 VanDerWaalsContact CE1-CE 3.5Å; F255-M263 HydrophobicContact CE1-SD 3.67Å; F255-M263 HydrophobicContact CZ-CE 4.14Å; F255-M263 HydrophobicContact CZ-SD 3.77Å; D259-M263 WeakPolarHBondContact O-CB 3.42Å; D259-M263 PolarHBondContact O-N 2.81Å; L260-M263 HydrophobicContact CD1-CE 4.37Å; L261-M263 VanDerWaalsContact C-N 3.32Å; L261-M263 PolarHBondContact O-N 2.91Å; M263-F267 WeakPolarHBondContact O-CE2 3.31Å; M263-M305 HydrophobicContact CE-CE 3.87Å; M263-M305 HydrophobicContact CG-CE 3.7Å; M263-M305 HydrophobicContact SD-CE 3.5Å; M263-M305 VanDerWaalsContact SD-CE 3.5Å; M263-L315 HydrophobicContact CE-CD1 3.72Å; M263-L315 HydrophobicContact SD-CD1 4.34Å
264F89Confident88.8Confident0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-100.2-16.9-179-81.7-103.3000114.1L246 I248 L260 L261 Q262 P266 F267 V270 V290 Y292 A301 M305 V317L246-F264 HydrophobicContact CD1-CD1 4.31Å; L246-F264 HydrophobicContact CD1-CE1 3.98Å; I248-F264 HydrophobicContact CD1-CE1 4.38Å; I248-F264 HydrophobicContact CD1-CZ 4.1Å; I248-F264 HydrophobicContact CG1-CE1 4.16Å; I248-F264 HydrophobicContact CG1-CE2 3.98Å; I248-F264 HydrophobicContact CG1-CZ 3.47Å; I248-F264 VanDerWaalsContact CG1-CZ 3.47Å; L260-F264 HydrophobicContact CD1-CD2 3.91Å; L260-F264 HydrophobicContact CD1-CE2 3.67Å; L260-F264 HydrophobicContact CG-CD2 4.41Å; L260-F264 WeakPolarHBondContact O-CB 3.46Å; L260-F264 VanDerWaalsContact O-CD2 3.24Å; L260-F264 WeakPolarHBondContact O-CD2 3.49Å; L260-F264 PolarHBondContact O-N 2.87Å; L261-F264 PolarHBondContact O-N 3.47Å; Q262-F264 VanDerWaalsContact C-N 3.31Å; Q262-F264 PolarHBondContact O-N 3.49Å; F264-P266 VanDerWaalsContact C-CD 3.46Å; F264-F267 PolarHBondContact O-N 2.81Å; F264-V270 HydrophobicContact CB-CG2 3.93Å; F264-V290 HydrophobicContact CB-CG1 4.16Å; F264-V290 HydrophobicContact CB-CG2 4.48Å; F264-V290 HydrophobicContact CD1-CB 4.39Å; F264-V290 HydrophobicContact CD1-CG1 4.07Å; F264-V290 HydrophobicContact CD1-CG2 4.26Å; F264-V290 HydrophobicContact CD2-CG2 4.25Å; F264-V290 HydrophobicContact CG-CG1 4.24Å; F264-V290 HydrophobicContact CG-CG2 4.07Å; F264-Y292 WeakPolarHBondContact CB-OH 3.31Å; F264-Y292 HydrophobicContact CD1-CE2 4.11Å; F264-Y292 VanDerWaalsContact CD1-OH 3.28Å; F264-Y292 WeakPolarHBondContact CD1-OH 3.31Å; F264-Y292 PolarHBondContact O-OH 2.91Å; F264-A301 HydrophobicContact CD1-CB 4.02Å; F264-A301 HydrophobicContact CE1-CB 4.11Å; F264-M305 HydrophobicContact CZ-CB 4.23Å; F264-M305 HydrophobicContact CZ-CG 4.33Å; F264-V317 HydrophobicContact CE1-CG1 4.26Å; F264-V317 HydrophobicContact CZ-CG1 4.45Å; F264-V317 HydrophobicContact CZ-CG2 4.03Å
265L88.8Confident89Confident77 Ų7746.6 Ų46.640%0.40325%0.252SS..G310 helixtrans-49.9-44.6171.7-82.2179.2000115.8L261 F267 G268L261-L265 HydrophobicContact CD2-CD1 3.82Å; L261-L265 HydrophobicContact CD2-CD2 4.29Å; L261-L265 HydrophobicContact CD2-CG 3.92Å; L261-L265 HydrophobicContact CG-CG 4.48Å; L261-L265 WeakPolarHBondContact O-CG 2.98Å; L261-L265 PolarHBondContact O-N 2.91Å; L265-F267 PolarHBondContact O-N 2.74Å; L265-F267 VanDerWaalsContact O-N 3.14Å; L265-G268 PolarHBondContact O-N 2.92Å
266P90.7Very high89.2Confident101 Ų10148.4 Ų48.466%0.65626%0.26SS*.G310 helixtrans-67.6-15.2-175.425.7-35.2000114.1Q262 F264Q262-P266 WeakPolarHBondContact O-CD 3.46Å; F264-P266 VanDerWaalsContact C-CD 3.46Å
267F88.4Confident89.2Confident52 Ų5251.4 Ų51.423%0.22827%0.27CS..G310 helixtrans-94.2-5.7175.7-47.1-69.8000113.2M263 F264 L265 S297 A301 S304 M305M263-F267 WeakPolarHBondContact O-CE2 3.31Å; F264-F267 PolarHBondContact O-N 2.81Å; L265-F267 PolarHBondContact O-N 2.74Å; L265-F267 VanDerWaalsContact O-N 3.14Å; F267-S297 WeakPolarHBondContact O-CA 3.25Å; F267-S297 VanDerWaalsContact O-CB 3.29Å; F267-S297 WeakPolarHBondContact O-CB 3.44Å; F267-A301 HydrophobicContact CB-CB 3.75Å; F267-A301 HydrophobicContact CD2-CB 4.09Å; F267-A301 HydrophobicContact CG-CB 4.02Å; F267-S304 WeakPolarHBondContact CE1-OG 3.49Å; F267-M305 HydrophobicContact CD2-CG 4.2Å; F267-M305 HydrophobicContact CE2-CG 3.42Å; F267-M305 VanDerWaalsContact CE2-CG 3.42Å; F267-M305 HydrophobicContact CE2-SD 3.63Å; F267-M305 HydrophobicContact CZ-CG 3.78Å; F267-M305 HydrophobicContact CZ-SD 3.65Å
268G87.6Confident89.2Confident21 Ų2150.9 Ų50.922%0.21627%0.267CS..SBendtrans150.9-176.9174.300000114.6L265 V270 Y292L265-G268 PolarHBondContact O-N 2.92Å; G268-V270 PolarHBondContact O-N 3Å; G268-Y292 WeakPolarHBondContact O-CE1 3.4Å
269N90.3Very high89Confident59 Ų5954.4 Ų54.432%0.31628%0.281SS..  trans-77.3107.6-176.817133.8000111.9Q229 I271 Y292 D293Q229-N269 PolarHBondContact NE2-OD1 2.88Å; N269-I271 PolarHBondContact O-N 2.78Å; N269-Y292 WeakPolarHBondContact O-CA 3.34Å; N269-Y292 WeakPolarHBondContact O-CD1 3.15Å; N269-D293 WeakPolarHBondContact CB-OD2 3.44Å; N269-D293 PolarHBondContact ND2-OD2 3.2Å; N269-D293 PolarHBondContact O-N 3.29Å
270V90.8Very high88.9Confident12 Ų1259.3 Ų59.37%0.07330%0.301CS..EExtended strand (participates in β ladder)trans-77.9111.61791770000110.2L261 F264 G268 A273 V290 S291 Y292L261-V270 HydrophobicContact CD1-CB 4.43Å; L261-V270 HydrophobicContact CD1-CG1 4.05Å; L261-V270 HydrophobicContact CG-CB 4.41Å; L261-V270 HydrophobicContact CG-CG1 4.28Å; F264-V270 HydrophobicContact CB-CG2 3.93Å; G268-V270 PolarHBondContact O-N 3Å; V270-A273 HydrophobicContact CG1-CB 4.25Å; V270-V290 HydrophobicContact CG1-CG1 4.05Å; V270-V290 HydrophobicContact CG2-CG1 4.18Å; V270-S291 CarbonylContact C-O 3.6Å; V270-Y292 HydrophobicContact CG2-CD1 4.25Å; V270-Y292 HydrophobicContact CG2-CE1 3.73Å
271I89.8Confident88.8Confident48 Ų4863.1 Ų63.125%0.24633%0.325CS..EExtended strand (participates in β ladder)trans-71-40.8173.2-75.7-172.4000111.4K238 N269 S291 D293K238-I271 HydrophobicContact CB-CG2 3.82Å; K238-I271 HydrophobicContact CD-CG2 3.94Å; K238-I271 WeakPolarHBondContact CE-O 3.35Å; K238-I271 HydrophobicContact CG-CG2 3.65Å; K238-I271 VanDerWaalsContact O-CG2 3.28Å; K238-I271 WeakPolarHBondContact O-CG2 3.38Å; N269-I271 PolarHBondContact O-N 2.78Å; I271-S291 PolarHBondContact N-O 2.95Å; I271-D293 VanDerWaalsContact CD1-CA 3.45Å; I271-D293 HydrophobicContact CD1-CB 3.71Å; I271-D293 HydrophobicContact CG1-CB 3.96Å
272S84.3Confident88.5Confident17 Ų1767.3 Ų67.312%0.11935%0.347CS..EExtended strand (participates in β ladder)trans-155.4133179-1700000111.5K238 V290 S291K238-S272 WeakPolarHBondContact O-CB 3.37Å; S272-V290 CarbonylContact O-C 3.58Å; S272-V290 WeakPolarHBondContact O-CA 3.5Å; S272-S291 PolarHBondContact N-O 2.96Å; S272-S291 PolarHBondContact O-N 3.44Å
273A90.9Very high88.2Confident16 Ų1665.2 Ų65.213%0.13234%0.339CS..EExtended strand (participates in β ladder)trans-116.5140.1166.700000109.1L260 L261 V270 F289 V290L260-A273 HydrophobicContact CD2-CB 4.43Å; L261-A273 HydrophobicContact CB-CB 3.98Å; L261-A273 HydrophobicContact CD1-CB 4.42Å; V270-A273 HydrophobicContact CG1-CB 4.25Å; A273-F289 CarbonylContact C-O 3.56Å; A273-F289 WeakPolarHBondContact CA-O 3.28Å; A273-V290 HydrophobicContact CB-CG2 4.41Å
274K89.1Confident88.2Confident61 Ų6164 Ų6427%0.26534%0.335SS..EExtended strand (participates in β ladder)trans-149.1126.2172.7177.7156.6-62.9-44.40112.2Q237 D257 F276 G288 F289Q237-K274 HydrophobicContact CG-CD 4.42Å; D257-K274 VanDerWaalsContact OD1-CA 3.23Å; D257-K274 WeakPolarHBondContact OD1-CA 3.38Å; D257-K274 IonicContact OD1-NZ 3.8Å; K274-F276 HydrophobicContact CG-CE2 4.49Å; K274-G288 CarbonylContact O-C 3.55Å; K274-G288 WeakPolarHBondContact O-CA 3.24Å; K274-F289 PolarHBondContact N-O 3.03Å; K274-F289 PolarHBondContact O-N 3.12Å
275I91.1Very high88Confident9 Ų968.9 Ų68.95%0.04636%0.356CS..EExtended strand (participates in β ladder)trans-94.9145.4166.9-70.6-173.4000109.9L251 F255 G256 D257 L260 I277 S284L251-I275 HydrophobicContact CD1-CD1 3.86Å; L251-I275 HydrophobicContact CD1-CG1 4.11Å; F255-I275 HydrophobicContact CB-CD1 3.87Å; F255-I275 WeakPolarHBondContact O-CD1 3.39Å; G256-I275 WeakPolarHBondContact O-CD1 3.49Å; D257-I275 PolarHBondContact OD1-N 3.1Å; L260-I275 HydrophobicContact CB-CD1 4.12Å; L260-I275 HydrophobicContact CB-CG1 4.3Å; L260-I275 HydrophobicContact CD2-CD1 4.28Å; L260-I275 HydrophobicContact CD2-CG1 3.7Å; I275-I277 HydrophobicContact CG2-CG1 4.4Å; I275-S284 WeakPolarHBondContact CG2-OG 3.06Å
276F89.3Confident87.9Confident75 Ų7566.6 Ų66.633%0.32935%0.346SS..EExtended strand (participates in β ladder)trans-96.6123.6174-71.3-95.2000109.5K274 K285 F287 F289K274-F276 HydrophobicContact CG-CE2 4.49Å; F276-K285 HydrophobicContact CB-CD 4.28Å; F276-K285 VanDerWaalsContact O-CB 3.22Å; F276-K285 WeakPolarHBondContact O-CB 3.4Å; F276-K285 VanDerWaalsContact O-CG 3.3Å; F276-K285 WeakPolarHBondContact O-CG 3.49Å; F276-K285 PolarHBondContact O-N 3.36Å; F276-F287 HydrophobicContact CB-CD2 4.07Å; F276-F287 HydrophobicContact CB-CE1 4.39Å; F276-F287 HydrophobicContact CB-CE2 3.52Å; F276-F287 HydrophobicContact CB-CZ 3.7Å; F276-F287 HydrophobicContact CD1-CE2 4.25Å; F276-F287 AromaticContact CD2-CD2 3.76Å; F276-F287 HydrophobicContact CD2-CD2 3.76Å; F276-F287 AromaticContact CD2-CE2 3.4Å; F276-F287 HydrophobicContact CD2-CE2 3.4Å; F276-F287 VanDerWaalsContact CD2-CE2 3.4Å; F276-F287 HydrophobicContact CD2-CZ 4.37Å; F276-F287 HydrophobicContact CE2-CE2 4.18Å; F276-F287 HydrophobicContact CG-CD2 4.15Å; F276-F287 AromaticContact CG-CE2 3.45Å; F276-F287 HydrophobicContact CG-CE2 3.45Å; F276-F287 VanDerWaalsContact CG-CE2 3.45Å; F276-F287 AromaticContact CG-CZ 3.98Å; F276-F287 HydrophobicContact CG-CZ 3.98Å; F276-F287 PolarHBondContact N-O 3.24Å; F276-F287 VanDerWaalsContact N-O 3.1Å; F276-F289 HydrophobicContact CE2-CB 4.4Å
277I89.1Confident88Confident87 Ų8764.8 Ų64.845%0.44633%0.328SS..EExtended strand (participates in β ladder)trans-107.7143.9178.8-60178.5000108.6I275 K279 N282 L283I275-I277 HydrophobicContact CG2-CG1 4.4Å; I277-K279 PolarHBondContact O-N 3.44Å; I277-N282 WeakPolarHBondContact CG2-O 3.42Å; I277-L283 WeakPolarHBondContact CG2-O 3.39Å
278D89.5Confident88.2Confident45 Ų4562.3 Ų62.324%0.24132%0.317CS..  trans-78.9116.7174.2-162.2-59.2000110.1Q280 T281 N282 L283 K285D278-Q280 PolarHBondContact O-N 3Å; D278-Q280 VanDerWaalsContact O-N 3.12Å; D278-Q280 WeakPolarHBondContact OD1-CB 3.36Å; D278-Q280 PolarHBondContact OD1-N 3.44Å; D278-T281 PolarHBondContact O-N 2.88Å; D278-N282 VanDerWaalsContact O-CA 3.28Å; D278-N282 WeakPolarHBondContact O-CA 3.19Å; D278-N282 PolarHBondContact O-N 2.91Å; D278-L283 PolarHBondContact N-O 3.38Å; D278-K285 HydrophobicContact CB-CD 4.36Å; D278-K285 HydrophobicContact CB-CG 4.02Å
279K84.8Confident88.4Confident195 Ų19561.5 Ų61.585%0.84831%0.308SS*.THydrogen-bonded Turntrans-66.5-12.4-175.4-168.6169.6179.7175.50114.1I277I277-K279 PolarHBondContact O-N 3.44Å
280Q86.8Confident88.4Confident173 Ų17358.7 Ų58.781%0.80829%0.293SS*.THydrogen-bonded Turntrans-88-30.5177.6-61.7176.1115.100112.9D278D278-Q280 PolarHBondContact O-N 3Å; D278-Q280 VanDerWaalsContact O-N 3.12Å; D278-Q280 WeakPolarHBondContact OD1-CB 3.36Å; D278-Q280 PolarHBondContact OD1-N 3.44Å
281T87.6Confident88.4Confident81 Ų8158.1 Ų58.150%0.49729%0.289SS..THydrogen-bonded Turntrans-116.8-14.6-174.360.80000113.1D278 L283D278-T281 PolarHBondContact O-N 2.88Å; T281-L283 VanDerWaalsContact O-CD1 3.23Å; T281-L283 WeakPolarHBondContact O-CD1 3.23Å; T281-L283 PolarHBondContact O-N 2.86Å; T281-L283 PolarHBondContact OG1-N 2.59Å
282N83.9Confident88.5Confident128 Ų12855.8 Ų55.868%0.68428%0.277SS*.  trans58.515.2-168.9-62-75.6000114.9I277 D278I277-N282 WeakPolarHBondContact CG2-O 3.42Å; D278-N282 VanDerWaalsContact O-CA 3.28Å; D278-N282 WeakPolarHBondContact O-CA 3.19Å; D278-N282 PolarHBondContact O-N 2.91Å
283L83.6Confident88.8Confident76 Ų7658 Ų5840%0.39829%0.288SS..  trans-81.5138.6171.3-84.559.1000110.5Q253 I277 D278 T281 K285Q253-L283 HydrophobicContact CG-CB 4.32Å; Q253-L283 HydrophobicContact CG-CG 4.1Å; Q253-L283 VanDerWaalsContact OE1-CD2 3.25Å; I277-L283 WeakPolarHBondContact CG2-O 3.39Å; D278-L283 PolarHBondContact N-O 3.38Å; T281-L283 VanDerWaalsContact O-CD1 3.23Å; T281-L283 WeakPolarHBondContact O-CD1 3.23Å; T281-L283 PolarHBondContact O-N 2.86Å; T281-L283 PolarHBondContact OG1-N 2.59Å; L283-K285 PolarHBondContact O-N 3Å
284S86.2Confident88.8Confident11 Ų1160.6 Ų60.68%0.07730%0.299CS..EExtended strand (participates in β ladder)trans-56.4130.8169.4172.60000110.4Q253 I275 C286Q253-S284 VanDerWaalsContact O-CB 3.25Å; Q253-S284 WeakPolarHBondContact O-CB 3.28Å; I275-S284 WeakPolarHBondContact CG2-OG 3.06Å; S284-C286 PolarHBondContact O-N 3.3Å; S284-C286 PolarHBondContact O-SG 3Å; S284-C286 PolarHBondContact OG-N 2.94Å
285K85.4Confident88.8Confident102 Ų10259.9 Ų59.944%0.44330%0.301SS..EExtended strand (participates in β ladder)trans-71.38.1177.3-54.5-173.475.9173.50112.5F276 D278 L283 F287F276-K285 HydrophobicContact CB-CD 4.28Å; F276-K285 VanDerWaalsContact O-CB 3.22Å; F276-K285 WeakPolarHBondContact O-CB 3.4Å; F276-K285 VanDerWaalsContact O-CG 3.3Å; F276-K285 WeakPolarHBondContact O-CG 3.49Å; F276-K285 PolarHBondContact O-N 3.36Å; D278-K285 HydrophobicContact CB-CD 4.36Å; D278-K285 HydrophobicContact CB-CG 4.02Å; L283-K285 PolarHBondContact O-N 3Å; K285-F287 HydrophobicContact CB-CD1 3.7Å; K285-F287 HydrophobicContact CB-CE1 3.51Å; K285-F287 HydrophobicContact CB-CZ 4.36Å; K285-F287 HydrophobicContact CD-CE1 4.01Å; K285-F287 HydrophobicContact CD-CZ 4.26Å; K285-F287 HydrophobicContact CG-CE1 4.37Å; K285-F287 WeakPolarHBondContact O-CD1 3.37Å; K285-F287 PolarHBondContact O-N 3.37Å
286C88Confident88.9Confident30 Ų3064 Ų6420%0.20333%0.326CS..EExtended strand (participates in β ladder)trans61.222.5178.9-56.30000113.4Y249 H250 L251 S284 K313Y249-C286 CarbonylContact C-O 3.47Å; H250-C286 WeakPolarHBondContact CA-O 3.26Å; H250-C286 PolarHBondContact N-O 3.06Å; L251-C286 PolarHBondContact N-O 2.98Å; L251-C286 VanDerWaalsContact O-CB 3.22Å; L251-C286 WeakPolarHBondContact O-CB 3.36Å; L251-C286 PolarHBondContact O-SG 2.94Å; L251-C286 VanDerWaalsContact O-SG 3.38Å; S284-C286 PolarHBondContact O-N 3.3Å; S284-C286 PolarHBondContact O-SG 3Å; S284-C286 PolarHBondContact OG-N 2.94Å; C286-K313 PolarHBondContact SG-NZ 3.13Å
287F91.6Very high89Confident62 Ų6261.4 Ų61.427%0.27232%0.318SS..EExtended strand (participates in β ladder)trans-141.1150.9171.873.5-98.3000111.8I248 Y249 F276 K285I248-F287 CarbonylContact O-C 3.51Å; I248-F287 WeakPolarHBondContact O-CA 3.5Å; I248-F287 WeakPolarHBondContact O-CB 3.41Å; Y249-F287 HydrophobicContact CD1-CB 4.04Å; F276-F287 HydrophobicContact CB-CD2 4.07Å; F276-F287 HydrophobicContact CB-CE1 4.39Å; F276-F287 HydrophobicContact CB-CE2 3.52Å; F276-F287 HydrophobicContact CB-CZ 3.7Å; F276-F287 HydrophobicContact CD1-CE2 4.25Å; F276-F287 AromaticContact CD2-CD2 3.76Å; F276-F287 HydrophobicContact CD2-CD2 3.76Å; F276-F287 AromaticContact CD2-CE2 3.4Å; F276-F287 HydrophobicContact CD2-CE2 3.4Å; F276-F287 VanDerWaalsContact CD2-CE2 3.4Å; F276-F287 HydrophobicContact CD2-CZ 4.37Å; F276-F287 HydrophobicContact CE2-CE2 4.18Å; F276-F287 HydrophobicContact CG-CD2 4.15Å; F276-F287 AromaticContact CG-CE2 3.45Å; F276-F287 HydrophobicContact CG-CE2 3.45Å; F276-F287 VanDerWaalsContact CG-CE2 3.45Å; F276-F287 AromaticContact CG-CZ 3.98Å; F276-F287 HydrophobicContact CG-CZ 3.98Å; F276-F287 PolarHBondContact N-O 3.24Å; F276-F287 VanDerWaalsContact N-O 3.1Å; K285-F287 HydrophobicContact CB-CD1 3.7Å; K285-F287 HydrophobicContact CB-CE1 3.51Å; K285-F287 HydrophobicContact CB-CZ 4.36Å; K285-F287 HydrophobicContact CD-CE1 4.01Å; K285-F287 HydrophobicContact CD-CZ 4.26Å; K285-F287 HydrophobicContact CG-CE1 4.37Å; K285-F287 WeakPolarHBondContact O-CD1 3.37Å; K285-F287 PolarHBondContact O-N 3.37Å
288G91.8Very high89.1Confident0 Ų057.3 Ų57.30%030%0.297CS..EExtended strand (participates in β ladder)trans-149.8176.1-177.200000112.4I248 K274I248-G288 PolarHBondContact N-O 3.27Å; I248-G288 PolarHBondContact O-N 3.48Å; K274-G288 CarbonylContact O-C 3.55Å; K274-G288 WeakPolarHBondContact O-CA 3.24Å
289F92.1Very high89.2Confident4 Ų460.1 Ų60.12%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-131132.5-177.5-178.6-107.2000108.9N245 L246 F247 A273 K274 F276 K320N245-F289 HydrophobicContact CB-CE2 4.08Å; N245-F289 HydrophobicContact CB-CZ 3.92Å; N245-F289 VanDerWaalsContact OD1-CZ 3.23Å; N245-F289 WeakPolarHBondContact OD1-CZ 3.19Å; L246-F289 WeakPolarHBondContact O-CA 3.48Å; L246-F289 WeakPolarHBondContact O-CD2 3.23Å; F247-F289 AromaticContact CD1-CD2 3.89Å; F247-F289 HydrophobicContact CD1-CD2 3.89Å; F247-F289 AromaticContact CE1-CD2 3.85Å; F247-F289 HydrophobicContact CE1-CD2 3.85Å; F247-F289 HydrophobicContact CZ-CD2 4.46Å; A273-F289 CarbonylContact C-O 3.56Å; A273-F289 WeakPolarHBondContact CA-O 3.28Å; K274-F289 PolarHBondContact N-O 3.03Å; K274-F289 PolarHBondContact O-N 3.12Å; F276-F289 HydrophobicContact CE2-CB 4.4Å; F289-K320 HydrophobicContact CE2-CB 4.12Å; F289-K320 HydrophobicContact CE2-CD 3.53Å; F289-K320 HydrophobicContact CE2-CG 3.89Å; F289-K320 HydrophobicContact CZ-CD 3.84Å; F289-K320 VanDerWaalsContact CZ-NZ 3.26Å
290V91.7Very high89.6Confident0 Ų052.7 Ų52.70%028%0.283CS..EExtended strand (participates in β ladder)trans-126.1135.9173.3172.80000108L246 I248 L260 F264 V270 S272 A273 Y292L246-V290 WeakPolarHBondContact CA-O 3.3Å; L246-V290 HydrophobicContact CB-CB 4.43Å; L246-V290 PolarHBondContact N-O 3.44Å; L246-V290 PolarHBondContact O-N 2.79Å; I248-V290 HydrophobicContact CD1-CB 3.84Å; I248-V290 HydrophobicContact CD1-CG2 3.59Å; L260-V290 HydrophobicContact CD1-CG2 4.19Å; L260-V290 HydrophobicContact CD2-CG2 3.7Å; L260-V290 HydrophobicContact CG-CG2 3.64Å; F264-V290 HydrophobicContact CB-CG1 4.16Å; F264-V290 HydrophobicContact CB-CG2 4.48Å; F264-V290 HydrophobicContact CD1-CB 4.39Å; F264-V290 HydrophobicContact CD1-CG1 4.07Å; F264-V290 HydrophobicContact CD1-CG2 4.26Å; F264-V290 HydrophobicContact CD2-CG2 4.25Å; F264-V290 HydrophobicContact CG-CG1 4.24Å; F264-V290 HydrophobicContact CG-CG2 4.07Å; V270-V290 HydrophobicContact CG1-CG1 4.05Å; V270-V290 HydrophobicContact CG2-CG1 4.18Å; S272-V290 CarbonylContact O-C 3.58Å; S272-V290 WeakPolarHBondContact O-CA 3.5Å; A273-V290 HydrophobicContact CB-CG2 4.41Å; V290-Y292 HydrophobicContact CG1-CD2 4.19Å; V290-Y292 HydrophobicContact CG1-CE2 3.88Å
291S90.4Very high89.8Confident0 Ų044.5 Ų44.50%025%0.245CC..EExtended strand (participates in β ladder)trans-119.1128.3172.7-1770000109.2G240 N245 V270 I271 S272G240-S291 PolarHBondContact N-OG 3.41Å; N245-S291 WeakPolarHBondContact OD1-CB 3.22Å; N245-S291 PolarHBondContact OD1-OG 3.23Å; V270-S291 CarbonylContact C-O 3.6Å; I271-S291 PolarHBondContact N-O 2.95Å; S272-S291 PolarHBondContact N-O 2.96Å; S272-S291 PolarHBondContact O-N 3.44Å
292Y92.1Very high90.1Very high0 Ų042.4 Ų42.40%023%0.23CC..EExtended strand (participates in β ladder)trans-95.4166.7169.6-74.5-81.2000111.5A244 L246 F264 G268 N269 V270 V290 A301A244-Y292 WeakPolarHBondContact CB-O 3.41Å; A244-Y292 PolarHBondContact O-N 2.78Å; L246-Y292 HydrophobicContact CD1-CD2 4.13Å; L246-Y292 HydrophobicContact CD1-CE2 3.69Å; F264-Y292 WeakPolarHBondContact CB-OH 3.31Å; F264-Y292 HydrophobicContact CD1-CE2 4.11Å; F264-Y292 VanDerWaalsContact CD1-OH 3.28Å; F264-Y292 WeakPolarHBondContact CD1-OH 3.31Å; F264-Y292 PolarHBondContact O-OH 2.91Å; G268-Y292 WeakPolarHBondContact O-CE1 3.4Å; N269-Y292 WeakPolarHBondContact O-CA 3.34Å; N269-Y292 WeakPolarHBondContact O-CD1 3.15Å; V270-Y292 HydrophobicContact CG2-CD1 4.25Å; V270-Y292 HydrophobicContact CG2-CE1 3.73Å; V290-Y292 HydrophobicContact CG1-CD2 4.19Å; V290-Y292 HydrophobicContact CG1-CE2 3.88Å; Y292-A301 HydrophobicContact CE2-CB 3.74Å; Y292-A301 WeakPolarHBondContact OH-CB 3.36Å
293D90.8Very high90.4Very high64 Ų6443.9 Ų43.934%0.34223%0.233SC..SBendtrans-75.2-29.1165.461.9-11.5000113.4P241 N269 I271P241-D293 VanDerWaalsContact CD-O 3.28Å; P241-D293 WeakPolarHBondContact CD-O 3.37Å; P241-D293 WeakPolarHBondContact CG-O 3.42Å; N269-D293 WeakPolarHBondContact CB-OD2 3.44Å; N269-D293 PolarHBondContact ND2-OD2 3.2Å; N269-D293 PolarHBondContact O-N 3.29Å; I271-D293 VanDerWaalsContact CD1-CA 3.45Å; I271-D293 HydrophobicContact CD1-CB 3.71Å; I271-D293 HydrophobicContact CG1-CB 3.96Å
294N90.4Very high90.8Very high69 Ų6943.5 Ų43.537%0.36924%0.237SC..  trans-126.4131.2-172.3-171.5-29.2000111.7V296 S297 S298N294-V296 PolarHBondContact O-N 3.11Å; N294-V296 WeakPolarHBondContact OD1-CB 3.28Å; N294-V296 WeakPolarHBondContact OD1-CG2 3.44Å; N294-V296 PolarHBondContact OD1-N 3.3Å; N294-S297 WeakPolarHBondContact O-CB 3.23Å; N294-S297 PolarHBondContact O-N 2.83Å; N294-S298 PolarHBondContact O-N 2.95Å
295P89.9Confident90.9Very high47 Ų4743.5 Ų43.531%0.30524%0.236SC..Hα-helixtrans-57.8-33.8175.223.3-34.5000113.5G243 S298 Q299G243-P295 WeakPolarHBondContact O-CA 3.29Å; G243-P295 VanDerWaalsContact O-CB 3.31Å; G243-P295 WeakPolarHBondContact O-CB 3.45Å; P295-S298 WeakPolarHBondContact O-CB 3.2Å; P295-S298 PolarHBondContact O-N 3.33Å; P295-S298 PolarHBondContact O-OG 2.89Å; P295-Q299 WeakPolarHBondContact O-CG 3.29Å; P295-Q299 PolarHBondContact O-N 2.79Å
296V92.4Very high91.2Very high95 Ų9542.3 Ų42.358%0.57623%0.234SC*.Hα-helixtrans-61.9-47178.9-179.50000111.1N294 S298 Q299 A300N294-V296 PolarHBondContact O-N 3.11Å; N294-V296 WeakPolarHBondContact OD1-CB 3.28Å; N294-V296 WeakPolarHBondContact OD1-CG2 3.44Å; N294-V296 PolarHBondContact OD1-N 3.3Å; V296-S298 VanDerWaalsContact C-N 3.27Å; V296-S298 PolarHBondContact O-N 3.29Å; V296-Q299 PolarHBondContact O-N 3.23Å; V296-Q299 VanDerWaalsContact O-N 3.12Å; V296-A300 PolarHBondContact O-N 3.2Å
297S91.4Very high91.2Very high21 Ų2142.2 Ų42.215%0.14724%0.239CC..Hα-helixtrans-56.7-42.3174.6-550000111.7F267 N294 Q299 A300 A301F267-S297 WeakPolarHBondContact O-CA 3.25Å; F267-S297 VanDerWaalsContact O-CB 3.29Å; F267-S297 WeakPolarHBondContact O-CB 3.44Å; N294-S297 WeakPolarHBondContact O-CB 3.23Å; N294-S297 PolarHBondContact O-N 2.83Å; S297-Q299 VanDerWaalsContact C-N 3.34Å; S297-Q299 PolarHBondContact O-N 2.77Å; S297-A300 PolarHBondContact O-N 2.84Å; S297-A301 WeakPolarHBondContact O-CB 3.16Å; S297-A301 PolarHBondContact O-N 2.89Å
298S91.3Very high91.1Very high0 Ų044 Ų440%025%0.246CC..Hα-helixtrans-66.3-34.3178.490.70000112.9G243 N294 P295 V296 I302G243-S298 PolarHBondContact O-OG 2.82Å; N294-S298 PolarHBondContact O-N 2.95Å; P295-S298 WeakPolarHBondContact O-CB 3.2Å; P295-S298 PolarHBondContact O-N 3.33Å; P295-S298 PolarHBondContact O-OG 2.89Å; V296-S298 VanDerWaalsContact C-N 3.27Å; V296-S298 PolarHBondContact O-N 3.29Å; S298-I302 VanDerWaalsContact O-CG1 3.31Å; S298-I302 WeakPolarHBondContact O-CG1 3.41Å; S298-I302 PolarHBondContact O-N 3.35Å
299Q92.1Very high90.9Very high105 Ų10550.5 Ų50.549%0.49128%0.277SS..Hα-helixtrans-71-41.6175.3-71.1-178.8-1.400111.8P295 V296 S297 A301 I302 Q303P295-Q299 WeakPolarHBondContact O-CG 3.29Å; P295-Q299 PolarHBondContact O-N 2.79Å; V296-Q299 PolarHBondContact O-N 3.23Å; V296-Q299 VanDerWaalsContact O-N 3.12Å; S297-Q299 VanDerWaalsContact C-N 3.34Å; S297-Q299 PolarHBondContact O-N 2.77Å; Q299-A301 VanDerWaalsContact C-N 3.33Å; Q299-A301 PolarHBondContact O-N 2.78Å; Q299-I302 PolarHBondContact O-N 2.85Å; Q299-Q303 WeakPolarHBondContact O-CG 3.34Å; Q299-Q303 PolarHBondContact O-N 3.47Å
300A92Very high90.6Very high39 Ų3952.1 Ų52.132%0.32229%0.285SS..Hα-helixtrans-61.1-42173.500000111.7V296 S297 Q303 S304V296-A300 PolarHBondContact O-N 3.2Å; S297-A300 PolarHBondContact O-N 2.84Å; A300-Q303 PolarHBondContact O-N 3.06Å; A300-S304 WeakPolarHBondContact O-CB 3.44Å; A300-S304 PolarHBondContact O-N 3.26Å; A300-S304 PolarHBondContact O-OG 3.39Å
301A91.8Very high90.2Very high0 Ų055.2 Ų55.20%032%0.317CS..Hα-helixtrans-62.9-41.6173.600000112.4L246 F264 F267 Y292 S297 Q299 M305L246-A301 HydrophobicContact CD1-CB 3.98Å; F264-A301 HydrophobicContact CD1-CB 4.02Å; F264-A301 HydrophobicContact CE1-CB 4.11Å; F267-A301 HydrophobicContact CB-CB 3.75Å; F267-A301 HydrophobicContact CD2-CB 4.09Å; F267-A301 HydrophobicContact CG-CB 4.02Å; Y292-A301 HydrophobicContact CE2-CB 3.74Å; Y292-A301 WeakPolarHBondContact OH-CB 3.36Å; S297-A301 WeakPolarHBondContact O-CB 3.16Å; S297-A301 PolarHBondContact O-N 2.89Å; Q299-A301 VanDerWaalsContact C-N 3.33Å; Q299-A301 PolarHBondContact O-N 2.78Å; A301-M305 VanDerWaalsContact O-CB 3.26Å; A301-M305 WeakPolarHBondContact O-CB 3.41Å; A301-M305 PolarHBondContact O-N 3.34Å
302I92.8Very high89.9Confident37 Ų3764.5 Ų64.519%0.1936%0.363CS..Hα-helixtrans-58.4-51.2171.8-71160.1000110.1L246 S298 Q299 S304 N306 V317 L319L246-I302 HydrophobicContact CD1-CG1 4.47Å; L246-I302 HydrophobicContact CD2-CD1 3.49Å; L246-I302 VanDerWaalsContact CD2-CD1 3.49Å; L246-I302 HydrophobicContact CD2-CG1 3.58Å; S298-I302 VanDerWaalsContact O-CG1 3.31Å; S298-I302 WeakPolarHBondContact O-CG1 3.41Å; S298-I302 PolarHBondContact O-N 3.35Å; Q299-I302 PolarHBondContact O-N 2.85Å; I302-S304 VanDerWaalsContact C-N 3.31Å; I302-S304 PolarHBondContact O-N 2.89Å; I302-N306 HydrophobicContact CG2-CB 4.27Å; I302-N306 WeakPolarHBondContact O-CB 3.34Å; I302-N306 PolarHBondContact O-N 3.49Å; I302-V317 HydrophobicContact CG1-CG1 3.85Å; I302-L319 HydrophobicContact CD1-CB 4.29Å; I302-L319 HydrophobicContact CD1-CD1 4.1Å
303Q91.6Very high89.7Confident159 Ų15968 Ų6874%0.74338%0.378SS*.Hα-helixtrans-62.4-37.4-175.5-70.5176.72200112.8Q299 A300Q299-Q303 WeakPolarHBondContact O-CG 3.34Å; Q299-Q303 PolarHBondContact O-N 3.47Å; A300-Q303 PolarHBondContact O-N 3.06Å
304S90.3Very high89.7Confident68 Ų6872.9 Ų72.948%0.47639%0.392SS..Hα-helixtrans-83.8-36.1-177.4-51.90000113.6F267 A300 I302F267-S304 WeakPolarHBondContact CE1-OG 3.49Å; A300-S304 WeakPolarHBondContact O-CB 3.44Å; A300-S304 PolarHBondContact O-N 3.26Å; A300-S304 PolarHBondContact O-OG 3.39Å; I302-S304 VanDerWaalsContact C-N 3.31Å; I302-S304 PolarHBondContact O-N 2.89Å
305M89.1Confident89.8Confident12 Ų1269.7 Ų69.76%0.05937%0.374CS..Hα-helixtrans-104-18.6-171.6-61.3-57.3-59.500114.4M263 F264 F267 A301 G307 F308 L315 V317M263-M305 HydrophobicContact CE-CE 3.87Å; M263-M305 HydrophobicContact CG-CE 3.7Å; M263-M305 HydrophobicContact SD-CE 3.5Å; M263-M305 VanDerWaalsContact SD-CE 3.5Å; F264-M305 HydrophobicContact CZ-CB 4.23Å; F264-M305 HydrophobicContact CZ-CG 4.33Å; F267-M305 HydrophobicContact CD2-CG 4.2Å; F267-M305 HydrophobicContact CE2-CG 3.42Å; F267-M305 VanDerWaalsContact CE2-CG 3.42Å; F267-M305 HydrophobicContact CE2-SD 3.63Å; F267-M305 HydrophobicContact CZ-CG 3.78Å; F267-M305 HydrophobicContact CZ-SD 3.65Å; A301-M305 VanDerWaalsContact O-CB 3.26Å; A301-M305 WeakPolarHBondContact O-CB 3.41Å; A301-M305 PolarHBondContact O-N 3.34Å; M305-G307 PolarHBondContact O-N 2.88Å; M305-F308 HydrophobicContact CE-CB 4.07Å; M305-F308 HydrophobicContact CE-CD1 4.06Å; M305-F308 HydrophobicContact CE-CD2 4.35Å; M305-F308 HydrophobicContact CE-CG 3.9Å; M305-F308 WeakPolarHBondContact O-CB 3.44Å; M305-F308 PolarHBondContact O-N 3.17Å; M305-F308 VanDerWaalsContact O-N 3.16Å; M305-L315 HydrophobicContact CE-CD1 3.99Å; M305-V317 HydrophobicContact CB-CG2 3.77Å
306N91.8Very high89.8Confident76 Ų7671.8 Ų71.841%0.40638%0.379SS..THydrogen-bonded Turntrans-73.4110.8175-177.747.9000110.5I302 K316 V317I302-N306 HydrophobicContact CG2-CB 4.27Å; I302-N306 WeakPolarHBondContact O-CB 3.34Å; I302-N306 PolarHBondContact O-N 3.49Å; N306-K316 WeakPolarHBondContact OD1-CA 3.48Å; N306-V317 HydrophobicContact CB-CB 4.05Å; N306-V317 PolarHBondContact OD1-N 3.3Å; N306-V317 VanDerWaalsContact OD1-N 3.09Å; N306-V317 PolarHBondContact OD1-O 2.67Å
307G89Confident89.8Confident29 Ų2967.3 Ų67.330%0.29935%0.352SS..THydrogen-bonded Turntrans101-3.1-172.400000114M305 Q309 R314 L315M305-G307 PolarHBondContact O-N 2.88Å; G307-Q309 PolarHBondContact O-N 2.84Å; G307-R314 VanDerWaalsContact O-CD 3.24Å; G307-R314 WeakPolarHBondContact O-CD 3.49Å; G307-R314 WeakPolarHBondContact O-CG 3.41Å; G307-L315 WeakPolarHBondContact CA-O 3.4Å; G307-L315 PolarHBondContact N-O 3.29Å
308F88.2Confident89.8Confident98 Ų9869.7 Ų69.743%0.4336%0.361SS..  trans-61.2126.4174.9-171.9-93.2000110.8M305 I310 R314 L315M305-F308 HydrophobicContact CE-CB 4.07Å; M305-F308 HydrophobicContact CE-CD1 4.06Å; M305-F308 HydrophobicContact CE-CD2 4.35Å; M305-F308 HydrophobicContact CE-CG 3.9Å; M305-F308 WeakPolarHBondContact O-CB 3.44Å; M305-F308 PolarHBondContact O-N 3.17Å; M305-F308 VanDerWaalsContact O-N 3.16Å; F308-I310 HydrophobicContact CD1-CB 4.34Å; F308-I310 HydrophobicContact CE1-CB 4.28Å; F308-R314 CarbonylContact O-C 3.53Å; F308-L315 HydrophobicContact CB-CB 4.43Å; F308-L315 HydrophobicContact CB-CD1 4.34Å; F308-L315 HydrophobicContact CD1-CD1 4.04Å; F308-L315 PolarHBondContact O-N 3.14Å
309Q88.6Confident89.8Confident138 Ų13873.5 Ų73.565%0.64538%0.381SS*.EExtended strand (participates in β ladder)trans-89.3129.3177.9-178.4173.6-18.700110.4G307 G311G307-Q309 PolarHBondContact O-N 2.84Å; Q309-G311 PolarHBondContact NE2-O 3Å
310I84.7Confident89.4Confident38 Ų3870.9 Ų70.920%0.19537%0.368CS..EExtended strand (participates in β ladder)trans-132.7109177.8-169.1160.3000109.3P252 F255 F308 M312 K313 L315P252-I310 HydrophobicContact CG-CB 4.48Å; P252-I310 HydrophobicContact CG-CD1 3.76Å; P252-I310 HydrophobicContact CG-CG1 3.86Å; P252-I310 HydrophobicContact CG-CG2 3.84Å; F255-I310 HydrophobicContact CD2-CD1 4.42Å; F255-I310 HydrophobicContact CE2-CD1 3.48Å; F255-I310 VanDerWaalsContact CE2-CD1 3.48Å; F255-I310 HydrophobicContact CZ-CD1 3.73Å; F308-I310 HydrophobicContact CD1-CB 4.34Å; F308-I310 HydrophobicContact CE1-CB 4.28Å; I310-M312 PolarHBondContact O-N 3.44Å; I310-K313 PolarHBondContact N-O 3.37Å; I310-K313 PolarHBondContact O-N 3.21Å; I310-K313 VanDerWaalsContact O-N 3.08Å; I310-K313 VanDerWaalsContact O-O 3.14Å; I310-L315 HydrophobicContact CG2-CD1 4.38Å; I310-L315 HydrophobicContact CG2-CD2 3.76Å; I310-L315 HydrophobicContact CG2-CG 3.84Å
311G83.4Confident88.8Confident64 Ų6478.1 Ų78.166%0.6639%0.387SS*.THydrogen-bonded Turntrans55.3-124.8-166.400000111.9Q309 K313Q309-G311 PolarHBondContact NE2-O 3Å; G311-K313 VanDerWaalsContact C-N 3.35Å
312M85.4Confident87.7Confident196 Ų19679.8 Ų79.897%0.96640%0.398SS*.THydrogen-bonded Turntrans-85.51.1178.9-62.4174.567.800114.2I310I310-M312 PolarHBondContact O-N 3.44Å
313K86.9Confident86.3Confident73 Ų7387.3 Ų87.332%0.31743%0.429SS..EExtended strand (participates in β ladder)trans-120.1148.6-170.7-63.1172.275.1-1790110.7H250 L251 C286 I310 G311H250-K313 VanDerWaalsContact O-CE 3.29Å; H250-K313 WeakPolarHBondContact O-CE 3.5Å; L251-K313 PolarHBondContact O-NZ 2.81Å; C286-K313 PolarHBondContact SG-NZ 3.13Å; I310-K313 PolarHBondContact N-O 3.37Å; I310-K313 PolarHBondContact O-N 3.21Å; I310-K313 VanDerWaalsContact O-N 3.08Å; I310-K313 VanDerWaalsContact O-O 3.14Å; G311-K313 VanDerWaalsContact C-N 3.35Å
314R90.1Very high84.8Confident167 Ų16786 Ų8663%0.6343%0.427SS*.EExtended strand (participates in β ladder)trans-112.9115.5176.9-155.4-18081.1-169.68.8110.5H250 G307 F308H250-R314 WeakPolarHBondContact CB-O 3.28Å; H250-R314 PolarHBondContact ND1-O 2.91Å; G307-R314 VanDerWaalsContact O-CD 3.24Å; G307-R314 WeakPolarHBondContact O-CD 3.49Å; G307-R314 WeakPolarHBondContact O-CG 3.41Å; F308-R314 CarbonylContact O-C 3.53Å
315L92.1Very high83.3Confident1 Ų187.8 Ų87.81%0.00543%0.431CS..  trans-58.3138.7178.3-62.1-174000110.1Y249 L251 M263 M305 G307 F308 I310Y249-L315 WeakPolarHBondContact O-CA 3.13Å; L251-L315 HydrophobicContact CD2-CD2 3.87Å; L251-L315 HydrophobicContact CG-CD2 4.26Å; M263-L315 HydrophobicContact CE-CD1 3.72Å; M263-L315 HydrophobicContact SD-CD1 4.34Å; M305-L315 HydrophobicContact CE-CD1 3.99Å; G307-L315 WeakPolarHBondContact CA-O 3.4Å; G307-L315 PolarHBondContact N-O 3.29Å; F308-L315 HydrophobicContact CB-CB 4.43Å; F308-L315 HydrophobicContact CB-CD1 4.34Å; F308-L315 HydrophobicContact CD1-CD1 4.04Å; F308-L315 PolarHBondContact O-N 3.14Å; I310-L315 HydrophobicContact CG2-CD1 4.38Å; I310-L315 HydrophobicContact CG2-CD2 3.76Å; I310-L315 HydrophobicContact CG2-CG 3.84Å
316K91.3Very high81.8Confident91 Ų9191.1 Ų91.140%0.39646%0.456SS..EExtended strand (participates in β ladder)trans-121114.3171.8-169.2-168.5-171.8-1620108.8I248 Y249 N306 Q318I248-K316 WeakPolarHBondContact CA-O 3.19Å; Y249-K316 PolarHBondContact N-O 3.07Å; Y249-K316 PolarHBondContact O-N 3.24Å; N306-K316 WeakPolarHBondContact OD1-CA 3.48Å; K316-Q318 HydrophobicContact CD-CG 4.39Å; K316-Q318 VanDerWaalsContact CE-CD 3.46Å; K316-Q318 HydrophobicContact CG-CG 4.32Å
317V92.4Very high79.7Confident2 Ų295.9 Ų95.91%0.01247%0.473CS..EExtended strand (participates in β ladder)trans-106.3129.4178.5-171.70000108.2L246 F247 I248 F264 I302 M305 N306L246-V317 HydrophobicContact CB-CG1 4.41Å; L246-V317 HydrophobicContact CD1-CG1 3.9Å; L246-V317 HydrophobicContact CD2-CG1 4.5Å; F247-V317 WeakPolarHBondContact O-CA 3.43Å; I248-V317 HydrophobicContact CG1-CG1 4.34Å; I248-V317 HydrophobicContact CG1-CG2 4.22Å; I248-V317 HydrophobicContact CG2-CG2 4.26Å; F264-V317 HydrophobicContact CE1-CG1 4.26Å; F264-V317 HydrophobicContact CZ-CG1 4.45Å; F264-V317 HydrophobicContact CZ-CG2 4.03Å; I302-V317 HydrophobicContact CG1-CG1 3.85Å; M305-V317 HydrophobicContact CB-CG2 3.77Å; N306-V317 HydrophobicContact CB-CB 4.05Å; N306-V317 PolarHBondContact OD1-N 3.3Å; N306-V317 VanDerWaalsContact OD1-N 3.09Å; N306-V317 PolarHBondContact OD1-O 2.67Å
318Q90.3Very high78.5Confident71 Ų71100.7 Ų100.733%0.33250%0.499SS..EExtended strand (participates in β ladder)trans-136.7149.8-177.6-71170.3114.900109.6L246 F247 K316L246-Q318 CarbonylContact C-O 3.55Å; L246-Q318 WeakPolarHBondContact CA-O 3.35Å; F247-Q318 PolarHBondContact N-O 2.92Å; F247-Q318 PolarHBondContact O-N 2.81Å; K316-Q318 HydrophobicContact CD-CG 4.39Å; K316-Q318 VanDerWaalsContact CE-CD 3.46Å; K316-Q318 HydrophobicContact CG-CG 4.32Å
319L91.2Very high76.7Confident80 Ų80110.3 Ų110.342%0.41954%0.535SS..EExtended strand (participates in β ladder)trans-62.3141.3170.4-157.371.9000110.5G243 L246 I302 R321G243-L319 WeakPolarHBondContact O-CD1 3.42Å; L246-L319 HydrophobicContact CD2-CD1 4.09Å; I302-L319 HydrophobicContact CD1-CB 4.29Å; I302-L319 HydrophobicContact CD1-CD1 4.1Å; L319-R321 PolarHBondContact O-N 3.01Å
320K85.4Confident76.1Confident50 Ų50109 Ų10922%0.21753%0.529CS..PPolyproline II helixtrans-66.6121.7167.2-164.9-162-159.4149.40107.8E239 N245 F247 F289 S322E239-K320 VanDerWaalsContact CD-NZ 3.28Å; E239-K320 IonicContact OE1-NZ 3.38Å; E239-K320 PolarHBondContact OE1-NZ 3.3Å; E239-K320 IonicContact OE2-NZ 2.59Å; E239-K320 PolarHBondContact OE2-NZ 3.36Å; N245-K320 HydrophobicContact CB-CB 3.6Å; N245-K320 HydrophobicContact CB-CD 3.92Å; N245-K320 HydrophobicContact CB-CG 4.36Å; N245-K320 WeakPolarHBondContact O-CB 3.35Å; N245-K320 PolarHBondContact O-N 3.22Å; F247-K320 HydrophobicContact CD2-CB 4.29Å; F247-K320 HydrophobicContact CD2-CG 4.12Å; F247-K320 HydrophobicContact CE2-CB 4.21Å; F247-K320 HydrophobicContact CE2-CG 3.55Å; F247-K320 HydrophobicContact CZ-CG 4.01Å; F289-K320 HydrophobicContact CE2-CB 4.12Å; F289-K320 HydrophobicContact CE2-CD 3.53Å; F289-K320 HydrophobicContact CE2-CG 3.89Å; F289-K320 HydrophobicContact CZ-CD 3.84Å; F289-K320 VanDerWaalsContact CZ-NZ 3.26Å; K320-S322 PolarHBondContact O-N 3.38Å
321R78.5Confident75.7Confident191 Ų191112.7 Ų112.772%0.72155%0.547SS*.PPolyproline II helixtrans-59.1125169.4-66-168.5-177.9-154.5-0.3109.1L319L319-R321 PolarHBondContact O-N 3.01Å
322S68.3Low75.2Confident34 Ų34115.4 Ų115.424%0.23854%0.54CS..PPolyproline II helixtrans-70164.9174.274.30000110.1K320 N324K320-S322 PolarHBondContact O-N 3.38Å; S322-N324 PolarHBondContact O-N 2.92Å
323K64.8Low74.6Confident196 Ų196110.6 Ų110.685%0.85252%0.515SS*.SBendtrans-66.3-26.7-179.5-157.173.8175.3-171.30112.5
324N59.8Low73.9Confident131 Ų131113 Ų11370%0.70153%0.528SS*.SBendtrans-73.4-42.7-179.2-95.3-12.4000113S322 S326 K327S322-N324 PolarHBondContact O-N 2.92Å; N324-S326 PolarHBondContact O-N 3.24Å; N324-K327 PolarHBondContact O-N 3.02Å
325D58.1Low72.8Confident105 Ų105109.4 Ų109.456%0.56152%0.521SS*.THydrogen-bonded Turntrans-62-9.9-179.2-169.7-114.6000113.9K327D325-K327 VanDerWaalsContact C-N 3.26Å; D325-K327 PolarHBondContact O-N 3.23Å
326S56.9Low71.4Confident82 Ų82117.1 Ų117.157%0.57356%0.558SS**THydrogen-bonded Turntrans-8410.9-179.3-57.90000114.5N324N324-S326 PolarHBondContact O-N 3.24Å
327K48.1Very low69.9Low177 Ų177119.2 Ų119.277%0.7757%0.57SS**  trans-122113.5172.7-73.3-176.3176.5-178.60110.4N324 D325N324-K327 PolarHBondContact O-N 3.02Å; D325-K327 VanDerWaalsContact C-N 3.26Å; D325-K327 PolarHBondContact O-N 3.23Å
328P63.7Low68Low129 Ų129128.9 Ų128.984%0.83862%0.617SS**  trans-60.8140151.129.7-32.8000108.3
329Y50.9Low66Low301 Ų301134.2 Ų134.2100%1.1864%0.643SS**  trans-85.40178.8-162.4-79.4000110.3

Retrieved 329 of 329 residues in 124.9 ms (Link to these results)