A0A087XXS7_POEFO Loading...

DNA-directed RNA polymerase subunit beta

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A087XXS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,134 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
1M32.2Very low59.9Low222 Ų22287.5 Ų87.5100%1.09447%0.471SS*.  0125.20-83.5170.9174.400106
2E32.4Very low61.2Low152 Ų15297.3 Ų97.371%0.7151%0.511SS*.  trans-57.4134.5167.1-69.5-166157.100107.8S4E2-S4 PolarHBondContact O-N 2.93Å
3P42.8Very low62.9Low103 Ų10391.8 Ų91.867%0.66949%0.492SS*.G310 helixtrans-58.4-16.1179.8-18.325.5000114.1D5P3-D5 VanDerWaalsContact C-N 3.33Å; P3-D5 PolarHBondContact O-N 2.92Å
4S46.9Very low64.5Low43 Ų4386.4 Ų86.430%0.30146%0.464SS..G310 helixtrans-66.3-24.7-17257.10000115.2E2 Q631E2-S4 PolarHBondContact O-N 2.93Å; S4-Q631 PolarHBondContact O-NE2 3.48Å; S4-Q631 PolarHBondContact O-OE1 3.01Å
5D54.4Low65.8Low92 Ų9283.1 Ų83.149%0.49245%0.451SS..G310 helixtrans-98.4-2.4-167.9-66.7-2.9000114.1P3 W7 T8P3-D5 VanDerWaalsContact C-N 3.33Å; P3-D5 PolarHBondContact O-N 2.92Å; D5-W7 VanDerWaalsContact C-N 3.33Å; D5-W7 PolarHBondContact O-N 3.41Å; D5-T8 VanDerWaalsContact CA-OG1 3.28Å; D5-T8 WeakPolarHBondContact CA-OG1 3.23Å; D5-T8 PolarHBondContact O-OG1 3.34Å; D5-T8 VanDerWaalsContact O-OG1 3.1Å
6K69.9Low66.7Low54 Ų5480.7 Ų80.724%0.23544%0.437CS..THydrogen-bonded Turntrans-63-39.9-173.8175.3174.1167.9169.90112.7D37 E519K6-D37 WeakPolarHBondContact CD-OD2 3.46Å; K6-D37 WeakPolarHBondContact CE-OD2 3.42Å; K6-D37 IonicContact NZ-OD2 3.1Å; K6-D37 PolarHBondContact NZ-OD2 3.33Å; K6-E519 IonicContact NZ-OE1 2.89Å; K6-E519 PolarHBondContact NZ-OE1 3.05Å
7W79.3Confident67.2Low14 Ų1485.1 Ų85.15%0.05345%0.451CS..THydrogen-bonded Turntrans-105.6-0.6-174.8-62.6105.2000113.1D5 L10 A516 L661 F662 M726D5-W7 VanDerWaalsContact C-N 3.33Å; D5-W7 PolarHBondContact O-N 3.41Å; W7-L10 HydrophobicContact CE3-CD1 4.38Å; W7-L10 HydrophobicContact CE3-CD2 4.34Å; W7-A516 HydrophobicContact CH2-CB 4.22Å; W7-L661 HydrophobicContact CB-CD1 3.78Å; W7-L661 HydrophobicContact CG-CD1 3.88Å; W7-F662 HydrophobicContact CB-CE2 4.24Å; W7-F662 HydrophobicContact CE3-CE2 4.14Å; W7-F662 WeakPolarHBondContact O-CZ 3.24Å; W7-M726 HydrophobicContact CH2-CE 4.47Å; W7-M726 HydrophobicContact CZ3-CE 3.97Å
8T69.3Low67.3Low84 Ų8485.4 Ų85.452%0.51545%0.453SS..THydrogen-bonded Turntrans-88.2-25.8178.254.20000112.7D5D5-T8 VanDerWaalsContact CA-OG1 3.28Å; D5-T8 WeakPolarHBondContact CA-OG1 3.23Å; D5-T8 PolarHBondContact O-OG1 3.34Å; D5-T8 VanDerWaalsContact O-OG1 3.1Å
9N70.8Confident67.6Low129 Ų12983.7 Ų83.769%0.6944%0.444SS*.SBendtrans-101.850.3-178.1-68.4-42.2000112.9
10L80.3Confident67.9Low25 Ų2585.1 Ų85.113%0.13146%0.456CS..  trans-79.6153.1174.6-67.4175.4000111.4W7 H12 F662 Y725 M726 H729W7-L10 HydrophobicContact CE3-CD1 4.38Å; W7-L10 HydrophobicContact CE3-CD2 4.34Å; L10-H12 PolarHBondContact O-N 2.85Å; L10-F662 HydrophobicContact CD1-CD1 4.45Å; L10-F662 HydrophobicContact CD1-CD2 4.29Å; L10-F662 HydrophobicContact CD1-CE1 3.65Å; L10-F662 HydrophobicContact CD1-CE2 3.45Å; L10-F662 VanDerWaalsContact CD1-CE2 3.45Å; L10-F662 HydrophobicContact CD1-CZ 3.1Å; L10-F662 HydrophobicContact CG-CZ 4.27Å; L10-Y725 HydrophobicContact CB-CE2 4.17Å; L10-Y725 HydrophobicContact CD1-CE2 3.86Å; L10-Y725 HydrophobicContact CG-CE2 4.41Å; L10-M726 HydrophobicContact CD2-SD 4.47Å; L10-H729 WeakPolarHBondContact CD2-ND1 3.32Å
11P80.4Confident68.4Low45 Ų4586 Ų8629%0.29246%0.46SS..  trans-57.8135.7172.2-17.729.3000110.5G13 H729P11-G13 PolarHBondContact O-N 3.33Å; P11-H729 HydrophobicContact CG-CB 4.3Å
12H76.1Confident70.4Confident205 Ų20579.1 Ų79.195%0.94945%0.446SS*.SBendtrans-63.6-18.7176.5-69.4-65000113.7L10L10-H12 PolarHBondContact O-N 2.85Å
13G82.4Confident72.4Confident26 Ų2673 Ų7327%0.26842%0.424SS..SBendtrans177.2168.4178.400000110.4P11P11-G13 PolarHBondContact O-N 3.33Å
14P86.6Confident74Confident16 Ų1672.9 Ų72.910%0.10441%0.413CS..  trans-67.8147.6176.832.3-37.2000111.2R723 D728 D945P14-R723 HydrophobicContact CB-CG 3.66Å; P14-R723 HydrophobicContact CG-CG 4.43Å; P14-D728 VanDerWaalsContact CA-OD2 3.29Å; P14-D728 WeakPolarHBondContact CA-OD2 3.41Å; P14-D945 HydrophobicContact CG-CB 4.04Å
15S82.7Confident75.4Confident37 Ų3774 Ų7426%0.25943%0.433SS..  trans-148.6133178.5-165.90000113.7K17 R723 D728S15-K17 PolarHBondContact O-N 3.15Å; S15-K17 WeakPolarHBondContact OG-CB 3.44Å; S15-K17 VanDerWaalsContact OG-CG 3.25Å; S15-K17 WeakPolarHBondContact OG-CG 3.39Å; S15-K17 PolarHBondContact OG-N 2.95Å; S15-R723 PolarHBondContact O-NH2 3.46Å; S15-D728 PolarHBondContact N-OD2 2.84Å
16L81.3Confident76.9Confident44 Ų4477.5 Ų77.523%0.2344%0.443CS..THydrogen-bonded Turntrans-76.7-5.5169.9-58.3175.7000112.9N18 L19 T20 L721L16-N18 PolarHBondContact O-N 2.88Å; L16-N18 VanDerWaalsContact O-N 3.12Å; L16-L19 HydrophobicContact CD2-CD1 4.01Å; L16-L19 WeakPolarHBondContact O-CB 3.39Å; L16-L19 PolarHBondContact O-N 3.33Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 3.33Å; L16-L721 HydrophobicContact CD1-CD2 4.09Å
17K74.5Confident77.7Confident156 Ų15678.2 Ų78.268%0.67845%0.449SS*.Hα-helixtrans-51.6-40.1-178.4-77.6177.8-179.9-179.80112.4S15 L19 T20 D21S15-K17 PolarHBondContact O-N 3.15Å; S15-K17 WeakPolarHBondContact OG-CB 3.44Å; S15-K17 VanDerWaalsContact OG-CG 3.25Å; S15-K17 WeakPolarHBondContact OG-CG 3.39Å; S15-K17 PolarHBondContact OG-N 2.95Å; K17-L19 PolarHBondContact O-N 2.96Å; K17-T20 WeakPolarHBondContact CA-OG1 3.28Å; K17-T20 PolarHBondContact O-N 2.79Å; K17-T20 PolarHBondContact O-OG1 2.8Å; K17-T20 VanDerWaalsContact O-OG1 3.08Å; K17-D21 WeakPolarHBondContact O-CB 3.48Å; K17-D21 PolarHBondContact O-N 3.11Å
18N68.4Low78.1Confident90 Ų9083.3 Ų83.348%0.48147%0.472SS..Hα-helixtrans-63.6-27.8179.9-68.2-27.8000112.8L16 F24L16-N18 PolarHBondContact O-N 2.88Å; L16-N18 VanDerWaalsContact O-N 3.12Å; N18-F24 VanDerWaalsContact O-CB 3.32Å; N18-F24 WeakPolarHBondContact O-CB 3.22Å; N18-F24 WeakPolarHBondContact O-CD2 3.4Å; N18-F24 WeakPolarHBondContact O-CG 3.36Å
19L73.5Confident79Confident54 Ų5484.7 Ų84.728%0.28348%0.476SS..Hα-helixtrans-85.4-28.4177.7-61.4175.2000112.6L16 K17 F24 D733L16-L19 HydrophobicContact CD2-CD1 4.01Å; L16-L19 WeakPolarHBondContact O-CB 3.39Å; L16-L19 PolarHBondContact O-N 3.33Å; K17-L19 PolarHBondContact O-N 2.96Å; L19-F24 HydrophobicContact CD2-CD1 4.36Å; L19-F24 HydrophobicContact CD2-CD2 4.26Å; L19-F24 HydrophobicContact CD2-CE1 3.75Å; L19-F24 HydrophobicContact CD2-CE2 3.63Å; L19-F24 HydrophobicContact CD2-CZ 3.34Å; L19-D733 HydrophobicContact CD2-CB 4.11Å
20T73.3Confident79.9Confident111 Ų11186.9 Ų86.968%0.68148%0.479SS*.Hα-helixtrans-91.2-13.3-179.3560000113.4L16 K17 G22L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 3.33Å; K17-T20 WeakPolarHBondContact CA-OG1 3.28Å; K17-T20 PolarHBondContact O-N 2.79Å; K17-T20 PolarHBondContact O-OG1 2.8Å; K17-T20 VanDerWaalsContact O-OG1 3.08Å; T20-G22 PolarHBondContact O-N 3.18Å
21D78.5Confident80.5Confident103 Ų10387.3 Ų87.355%0.55148%0.481SS*.SBendtrans-65131.1174-172.5-8.1000109.8K17 G23 F24K17-D21 WeakPolarHBondContact O-CB 3.48Å; K17-D21 PolarHBondContact O-N 3.11Å; D21-G23 PolarHBondContact O-N 3.38Å; D21-G23 PolarHBondContact OD1-N 3.25Å; D21-F24 WeakPolarHBondContact O-CB 3.43Å; D21-F24 PolarHBondContact O-N 3.23Å
22G73.9Confident81Confident78 Ų7887.1 Ų87.180%0.80448%0.476SS*.THydrogen-bonded Turntrans-62-10.9174.900000113.6T20T20-G22 PolarHBondContact O-N 3.18Å
23G75.2Confident81.7Confident24 Ų2480.7 Ų80.725%0.24745%0.452CS..THydrogen-bonded Turntrans-83.8-6.4168.800000115.8D21 G25 K26D21-G23 PolarHBondContact O-N 3.38Å; D21-G23 PolarHBondContact OD1-N 3.25Å; G23-G25 PolarHBondContact O-N 3.01Å; G23-K26 VanDerWaalsContact O-CB 3.29Å; G23-K26 WeakPolarHBondContact O-CB 3.39Å; G23-K26 WeakPolarHBondContact O-CG 3.31Å; G23-K26 PolarHBondContact O-N 3.12Å
24F76.4Confident82.1Confident100 Ų10079.8 Ų79.844%0.43944%0.442SS..THydrogen-bonded Turntrans-58.9133.4-178.9-172.2-113.7000111.2N18 L19 D21 K26N18-F24 VanDerWaalsContact O-CB 3.32Å; N18-F24 WeakPolarHBondContact O-CB 3.22Å; N18-F24 WeakPolarHBondContact O-CD2 3.4Å; N18-F24 WeakPolarHBondContact O-CG 3.36Å; L19-F24 HydrophobicContact CD2-CD1 4.36Å; L19-F24 HydrophobicContact CD2-CD2 4.26Å; L19-F24 HydrophobicContact CD2-CE1 3.75Å; L19-F24 HydrophobicContact CD2-CE2 3.63Å; L19-F24 HydrophobicContact CD2-CZ 3.34Å; D21-F24 WeakPolarHBondContact O-CB 3.43Å; D21-F24 PolarHBondContact O-N 3.23Å; F24-K26 VanDerWaalsContact C-N 3.33Å
25G75.3Confident82.3Confident68 Ų6879.2 Ų79.270%0.70144%0.439SS*.THydrogen-bonded Turntrans85.7-9.2-173.900000115.3G23 L27G23-G25 PolarHBondContact O-N 3.01Å; G25-L27 PolarHBondContact O-N 3.09Å
26K85.9Confident82.8Confident165 Ų16579.1 Ų79.172%0.71743%0.434SS*.PPolyproline II helixtrans-69.6130.7168.3-68.6-176.9-177.81740110G23 F24 K28G23-K26 VanDerWaalsContact O-CB 3.29Å; G23-K26 WeakPolarHBondContact O-CB 3.39Å; G23-K26 WeakPolarHBondContact O-CG 3.31Å; G23-K26 PolarHBondContact O-N 3.12Å; F24-K26 VanDerWaalsContact C-N 3.33Å; K26-K28 PolarHBondContact O-N 2.65Å
27L87.8Confident83.3Confident69 Ų6979 Ų7936%0.36143%0.433SS..PPolyproline II helixtrans-66.6124.6178.2-62.6176.3000110.5G25 K154 V157 A163G25-L27 PolarHBondContact O-N 3.09Å; L27-K154 HydrophobicContact CB-CG 3.88Å; L27-K154 HydrophobicContact CD1-CG 4.11Å; L27-V157 HydrophobicContact CD1-CB 4.02Å; L27-V157 HydrophobicContact CD1-CG1 4.33Å; L27-V157 HydrophobicContact CD1-CG2 3.83Å; L27-V157 HydrophobicContact CD2-CG2 4.1Å; L27-A163 HydrophobicContact CD2-CB 3.66Å
28K86.8Confident84.2Confident121 Ų12171.8 Ų71.853%0.52640%0.402SS..PPolyproline II helixtrans-68.3158.3172.7-63.1-179.3-179.9177.40110.5K26 P153K26-K28 PolarHBondContact O-N 2.65Å; K28-P153 WeakPolarHBondContact O-CB 3.49Å; K28-P153 VanDerWaalsContact O-CG 3.24Å; K28-P153 WeakPolarHBondContact O-CG 3.25Å
29D88.2Confident85.4Confident113 Ų11367.5 Ų67.560%0.60438%0.379SS*.SBendtrans-76.8-24.9178.3-63.1-37.8000112.9P153 K154D29-P153 VanDerWaalsContact O-CD 3.29Å; D29-P153 WeakPolarHBondContact O-CD 3.35Å; D29-K154 IonicContact OD1-NZ 3.49Å; D29-K154 PolarHBondContact OD1-NZ 2.88Å
30K90.9Very high86.4Confident175 Ų17567.8 Ų67.876%0.76138%0.378SS*.SBendtrans-126.6146.9175.8-63.1-176-178.1176.50110.2
31Q91.4Very high87.4Confident33 Ų3362.9 Ų62.915%0.15435%0.349CS..  trans-66.9156.5172.2-68.6-175.4-59.400111.3P33 Q36 K142 P153 L156 A163 E164 E165Q31-P33 WeakPolarHBondContact O-CD 3.44Å; Q31-Q36 HydrophobicContact CB-CG 4.11Å; Q31-K142 VanDerWaalsContact CD-NZ 3.34Å; Q31-P153 HydrophobicContact CG-CG 3.81Å; Q31-L156 HydrophobicContact CG-CD1 4.4Å; Q31-L156 VanDerWaalsContact NE2-CD1 3.27Å; Q31-A163 PolarHBondContact NE2-O 2.75Å; Q31-A163 VanDerWaalsContact NE2-O 3.13Å; Q31-E164 WeakPolarHBondContact CB-OE2 3.34Å; Q31-E165 PolarHBondContact NE2-O 3.43Å; Q31-E165 VanDerWaalsContact NE2-O 3.07Å
32H90.9Very high88.2Confident42 Ų4258 Ų5819%0.19432%0.323CS..  trans-76.2116.6-178.7-166.763.4000111.8A34 V35 Q36 E164 H729 N731H32-A34 VanDerWaalsContact C-N 3.32Å; H32-A34 PolarHBondContact O-N 2.96Å; H32-V35 HydrophobicContact CB-CG2 4.4Å; H32-V35 PolarHBondContact O-N 3.12Å; H32-V35 VanDerWaalsContact O-N 3.17Å; H32-Q36 PolarHBondContact O-N 3.06Å; H32-E164 PolarHBondContact N-OE1 3.27Å; H32-E164 PolarHBondContact N-OE2 2.92Å; H32-H729 PolarHBondContact CD2-O 3.37Å; H32-H729 VanDerWaalsContact CD2-O 3.32Å; H32-H729 PolarHBondContact NE2-O 3.05Å; H32-N731 WeakPolarHBondContact CB-ND2 3.31Å; H32-N731 PolarHBondContact CD2-ND2 3.41Å
33P91.1Very high89.3Confident70 Ų7055.3 Ų55.346%0.45529%0.29SS..Hα-helixtrans-57-40.3-172.2-27.135.4000114.2Q31 V35 Q36 D37Q31-P33 WeakPolarHBondContact O-CD 3.44Å; P33-V35 VanDerWaalsContact C-N 3.28Å; P33-V35 PolarHBondContact O-N 3.05Å; P33-Q36 PolarHBondContact O-N 2.9Å; P33-Q36 VanDerWaalsContact O-N 3.13Å; P33-D37 PolarHBondContact O-N 3.44Å
34A90.8Very high90.3Very high7 Ų757.5 Ų57.56%0.05829%0.294CS..Hα-helixtrans-61.2-35.2-17800000113.3H32 H729 Y730H32-A34 VanDerWaalsContact C-N 3.32Å; H32-A34 PolarHBondContact O-N 2.96Å; A34-H729 WeakPolarHBondContact CB-NE2 3.31Å; A34-H729 WeakPolarHBondContact CB-O 3.46Å; A34-Y730 HydrophobicContact CB-CD1 4.07Å; A34-Y730 HydrophobicContact CB-CE1 4.13Å; A34-Y730 WeakPolarHBondContact O-CE1 3.28Å
35V91.4Very high91.2Very high4 Ų452.8 Ų52.82%0.02427%0.273CS..Hα-helixtrans-72.7-42.2176.8177.70000110.2H32 P33 D37 L38 M166 F462 Y730H32-V35 HydrophobicContact CB-CG2 4.4Å; H32-V35 PolarHBondContact O-N 3.12Å; H32-V35 VanDerWaalsContact O-N 3.17Å; P33-V35 VanDerWaalsContact C-N 3.28Å; P33-V35 PolarHBondContact O-N 3.05Å; V35-D37 VanDerWaalsContact C-N 3.26Å; V35-D37 PolarHBondContact O-N 3.13Å; V35-L38 WeakPolarHBondContact O-CB 3.3Å; V35-L38 PolarHBondContact O-N 3.23Å; V35-M166 HydrophobicContact CG1-CE 3.93Å; V35-M166 HydrophobicContact CG1-CG 3.7Å; V35-M166 HydrophobicContact CG1-SD 3.89Å; V35-M166 VanDerWaalsContact O-CE 3.26Å; V35-M166 WeakPolarHBondContact O-CE 3.44Å; V35-F462 HydrophobicContact CG1-CZ 4.23Å; V35-Y730 VanDerWaalsContact CG2-O 3.31Å; V35-Y730 WeakPolarHBondContact CG2-O 3.26Å
36Q93Very high92.2Very high35 Ų3549.5 Ų49.516%0.16424%0.239CC..Hα-helixtrans-65.5-30.6178.9-56.4-54.5-49.900112.4Q31 H32 P33 L38 T39 K40 E165Q31-Q36 HydrophobicContact CB-CG 4.11Å; H32-Q36 PolarHBondContact O-N 3.06Å; P33-Q36 PolarHBondContact O-N 2.9Å; P33-Q36 VanDerWaalsContact O-N 3.13Å; Q36-L38 PolarHBondContact O-N 2.89Å; Q36-T39 PolarHBondContact O-N 2.86Å; Q36-T39 PolarHBondContact O-OG1 3.31Å; Q36-K40 PolarHBondContact O-N 3.01Å; Q36-E165 PolarHBondContact NE2-O 2.91Å; Q36-E165 PolarHBondContact OE1-O 3.07Å
37D91.7Very high92.7Very high40 Ų4042.4 Ų42.421%0.21421%0.209CC..THydrogen-bonded Turntrans-64.4-22.5178-82.4-12.5000114.1K6 P33 V35 T39 K40K6-D37 WeakPolarHBondContact CD-OD2 3.46Å; K6-D37 WeakPolarHBondContact CE-OD2 3.42Å; K6-D37 IonicContact NZ-OD2 3.1Å; K6-D37 PolarHBondContact NZ-OD2 3.33Å; P33-D37 PolarHBondContact O-N 3.44Å; V35-D37 VanDerWaalsContact C-N 3.26Å; V35-D37 PolarHBondContact O-N 3.13Å; D37-T39 VanDerWaalsContact C-N 3.28Å; D37-T39 PolarHBondContact O-N 3.12Å; D37-K40 WeakPolarHBondContact O-CB 3.38Å; D37-K40 PolarHBondContact O-N 3.39Å
38L92.8Very high93Very high5 Ų539.8 Ų39.83%0.02620%0.195CC..THydrogen-bonded Turntrans-66.1-30.5179.7-62.6177.1000112.7V35 Q36 M166 L466 R470 V669 Y730V35-L38 WeakPolarHBondContact O-CB 3.3Å; V35-L38 PolarHBondContact O-N 3.23Å; Q36-L38 PolarHBondContact O-N 2.89Å; L38-M166 HydrophobicContact CB-CE 3.56Å; L38-M166 HydrophobicContact CD1-CE 3.69Å; L38-M166 HydrophobicContact CG-CE 4.17Å; L38-L466 HydrophobicContact CD1-CB 4.25Å; L38-R470 HydrophobicContact CD2-CG 4.41Å; L38-R470 WeakPolarHBondContact O-CD 3.29Å; L38-V669 HydrophobicContact CD2-CG2 3.65Å; L38-Y730 HydrophobicContact CD1-CD1 4.11Å; L38-Y730 HydrophobicContact CD1-CE1 4.23Å; L38-Y730 HydrophobicContact CD2-CE1 3.81Å; L38-Y730 HydrophobicContact CG-CD1 4.46Å; L38-Y730 HydrophobicContact CG-CE1 4.13Å
39T95.1Very high93.3Very high0 Ų034.1 Ų34.10%017%0.171CC..THydrogen-bonded Turntrans-104-3.5-179.852.60000113Q36 D37 A41 H42 I43 M166 G167 F469Q36-T39 PolarHBondContact O-N 2.86Å; Q36-T39 PolarHBondContact O-OG1 3.31Å; D37-T39 VanDerWaalsContact C-N 3.28Å; D37-T39 PolarHBondContact O-N 3.12Å; T39-A41 VanDerWaalsContact C-N 3.32Å; T39-A41 PolarHBondContact O-N 3.13Å; T39-H42 WeakPolarHBondContact O-CA 3.43Å; T39-H42 WeakPolarHBondContact O-CB 3.18Å; T39-H42 PolarHBondContact O-N 2.95Å; T39-I43 PolarHBondContact O-N 3.2Å; T39-M166 HydrophobicContact CG2-CB 3.8Å; T39-M166 HydrophobicContact CG2-CE 3.99Å; T39-M166 PolarHBondContact OG1-O 3.35Å; T39-G167 VanDerWaalsContact CG2-O 3.29Å; T39-G167 WeakPolarHBondContact CG2-O 3.34Å; T39-F469 HydrophobicContact CG2-CB 4.06Å; T39-F469 HydrophobicContact CG2-CD1 3.73Å; T39-F469 HydrophobicContact CG2-CD2 3.81Å; T39-F469 HydrophobicContact CG2-CE1 4.06Å; T39-F469 HydrophobicContact CG2-CE2 4.15Å; T39-F469 HydrophobicContact CG2-CG 3.58Å; T39-F469 HydrophobicContact CG2-CZ 4.26Å
40K93.7Very high93.4Very high61 Ų6129.3 Ų29.327%0.26515%0.146SC..Hα-helixtrans-48.4-48.2-178-176.8-178.1175.9-168.10113.1Q36 D37 H42 I43 E44 E519Q36-K40 PolarHBondContact O-N 3.01Å; D37-K40 WeakPolarHBondContact O-CB 3.38Å; D37-K40 PolarHBondContact O-N 3.39Å; K40-H42 VanDerWaalsContact C-N 3.26Å; K40-H42 PolarHBondContact O-N 3.09Å; K40-I43 PolarHBondContact O-N 3.29Å; K40-E44 WeakPolarHBondContact CE-OE1 3.31Å; K40-E44 VanDerWaalsContact CE-OE2 3.3Å; K40-E44 WeakPolarHBondContact CE-OE2 2.96Å; K40-E44 HydrophobicContact CG-CG 3.91Å; K40-E44 WeakPolarHBondContact CG-OE1 3.34Å; K40-E44 WeakPolarHBondContact CG-OE2 3.37Å; K40-E44 VanDerWaalsContact O-CB 3.32Å; K40-E44 WeakPolarHBondContact O-CB 3.44Å; K40-E44 WeakPolarHBondContact O-CG 3.4Å; K40-E44 PolarHBondContact O-N 2.64Å; K40-E519 IonicContact NZ-OE2 3.42Å; K40-E519 PolarHBondContact NZ-OE2 3.42Å
41A94.4Very high93.3Very high7 Ų724.3 Ų24.36%0.05813%0.13CC..Hα-helixtrans-58.7-35.1178.700000113.2T39 S45 V520T39-A41 VanDerWaalsContact C-N 3.32Å; T39-A41 PolarHBondContact O-N 3.13Å; A41-S45 WeakPolarHBondContact O-CB 3.36Å; A41-S45 PolarHBondContact O-N 3.18Å; A41-S45 PolarHBondContact O-OG 3.27Å; A41-V520 HydrophobicContact CB-CB 4.21Å; A41-V520 HydrophobicContact CB-CG2 4.48Å
42H96.6Very high93.2Very high0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-74.6-47.5177.2-65.7-104.7000110.9T39 K40 S45 F46 M140 P377 F469T39-H42 WeakPolarHBondContact O-CA 3.43Å; T39-H42 WeakPolarHBondContact O-CB 3.18Å; T39-H42 PolarHBondContact O-N 2.95Å; K40-H42 VanDerWaalsContact C-N 3.26Å; K40-H42 PolarHBondContact O-N 3.09Å; H42-S45 PolarHBondContact O-OG 3.28Å; H42-F46 WeakPolarHBondContact O-CB 3.02Å; H42-F46 PolarHBondContact O-N 3.48Å; H42-F46 VanDerWaalsContact O-N 3.11Å; H42-M140 HydrophobicContact CB-CE 4.37Å; H42-M140 HydrophobicContact CB-SD 4.27Å; H42-M140 VanDerWaalsContact O-SD 3.33Å; H42-P377 HydrophobicContact CB-CG 4.32Å; H42-P377 WeakPolarHBondContact ND1-CG 3.35Å; H42-F469 PolarHBondContact NE2-O 3.36Å
43I96.6Very high93.1Very high22 Ų2223.3 Ų23.311%0.11313%0.125CC..Hα-helixtrans-69.6-49.3-175.2-66.7172.1000111.6T39 K40 S45 F46 N47 M140 K142 M166T39-I43 PolarHBondContact O-N 3.2Å; K40-I43 PolarHBondContact O-N 3.29Å; I43-S45 VanDerWaalsContact C-N 3.35Å; I43-F46 PolarHBondContact O-N 2.77Å; I43-N47 WeakPolarHBondContact O-CB 3.4Å; I43-N47 PolarHBondContact O-N 2.91Å; I43-N47 PolarHBondContact O-ND2 2.81Å; I43-M140 HydrophobicContact CG1-SD 4.38Å; I43-K142 HydrophobicContact CD1-CB 3.98Å; I43-M166 VanDerWaalsContact CD1-O 3.25Å; I43-M166 WeakPolarHBondContact CD1-O 3.34Å
44E95.4Very high93.1Very high71 Ų7120.1 Ų20.133%0.33211%0.105SC..Hα-helixtrans-66.7-38.7-179-69.4-176.6164.700111.6K40 F46 N47 Q48 T522K40-E44 WeakPolarHBondContact CE-OE1 3.31Å; K40-E44 VanDerWaalsContact CE-OE2 3.3Å; K40-E44 WeakPolarHBondContact CE-OE2 2.96Å; K40-E44 HydrophobicContact CG-CG 3.91Å; K40-E44 WeakPolarHBondContact CG-OE1 3.34Å; K40-E44 WeakPolarHBondContact CG-OE2 3.37Å; K40-E44 VanDerWaalsContact O-CB 3.32Å; K40-E44 WeakPolarHBondContact O-CB 3.44Å; K40-E44 WeakPolarHBondContact O-CG 3.4Å; K40-E44 PolarHBondContact O-N 2.64Å; E44-F46 VanDerWaalsContact C-N 3.34Å; E44-F46 PolarHBondContact O-N 3.49Å; E44-N47 PolarHBondContact O-N 2.59Å; E44-Q48 WeakPolarHBondContact O-CB 3.25Å; E44-Q48 PolarHBondContact O-N 3.39Å; E44-T522 HydrophobicContact CB-CG2 3.95Å; E44-T522 WeakPolarHBondContact CB-OG1 3.16Å; E44-T522 PolarHBondContact OE2-OG1 3.43Å
45S95.9Very high93.2Very high0 Ų022.3 Ų22.30%012%0.122CC..Hα-helixtrans-62.6-42.1175.367.50000112A41 H42 I43 Q48 A49 G378 Q379A41-S45 WeakPolarHBondContact O-CB 3.36Å; A41-S45 PolarHBondContact O-N 3.18Å; A41-S45 PolarHBondContact O-OG 3.27Å; H42-S45 PolarHBondContact O-OG 3.28Å; I43-S45 VanDerWaalsContact C-N 3.35Å; S45-Q48 PolarHBondContact O-N 2.88Å; S45-A49 WeakPolarHBondContact O-CB 3.23Å; S45-A49 PolarHBondContact O-N 2.83Å; S45-G378 PolarHBondContact OG-N 3.5Å; S45-Q379 VanDerWaalsContact CB-OE1 3.25Å
46F96.5Very high93.1Very high0 Ų024.3 Ų24.30%013%0.13CC..Hα-helixtrans-67-41.5174.5-174.7-95.1000112.1H42 I43 E44 Q48 A49 V50 M140 F170 Y381H42-F46 WeakPolarHBondContact O-CB 3.02Å; H42-F46 PolarHBondContact O-N 3.48Å; H42-F46 VanDerWaalsContact O-N 3.11Å; I43-F46 PolarHBondContact O-N 2.77Å; E44-F46 VanDerWaalsContact C-N 3.34Å; E44-F46 PolarHBondContact O-N 3.49Å; F46-Q48 VanDerWaalsContact C-N 3.33Å; F46-Q48 PolarHBondContact O-N 3.47Å; F46-A49 WeakPolarHBondContact O-CB 3.11Å; F46-A49 PolarHBondContact O-N 2.92Å; F46-V50 HydrophobicContact CD1-CG1 4.04Å; F46-V50 HydrophobicContact CD1-CG2 4.42Å; F46-V50 HydrophobicContact CD2-CG1 4.37Å; F46-V50 HydrophobicContact CE1-CG1 3.59Å; F46-V50 HydrophobicContact CE1-CG2 4.32Å; F46-V50 HydrophobicContact CE2-CG1 3.93Å; F46-V50 HydrophobicContact CG-CG1 4.43Å; F46-V50 HydrophobicContact CZ-CG1 3.53Å; F46-V50 WeakPolarHBondContact O-CG2 3.47Å; F46-V50 PolarHBondContact O-N 2.82Å; F46-M140 HydrophobicContact CB-CB 4.39Å; F46-M140 HydrophobicContact CB-CE 3.8Å; F46-M140 HydrophobicContact CB-SD 3.64Å; F46-M140 HydrophobicContact CD1-CB 3.68Å; F46-M140 HydrophobicContact CD2-CB 4.09Å; F46-M140 HydrophobicContact CD2-CE 4.19Å; F46-M140 HydrophobicContact CE1-CB 3.87Å; F46-M140 HydrophobicContact CE2-CB 4.28Å; F46-M140 HydrophobicContact CG-CB 3.78Å; F46-M140 HydrophobicContact CG-CE 4.13Å; F46-M140 HydrophobicContact CG-SD 4.08Å; F46-M140 HydrophobicContact CZ-CB 4.16Å; F46-F170 HydrophobicContact CD2-CE1 4.34Å; F46-F170 AromaticContact CD2-CZ 3.94Å; F46-F170 HydrophobicContact CD2-CZ 3.94Å; F46-F170 AromaticContact CE2-CE1 3.81Å; F46-F170 HydrophobicContact CE2-CE1 3.81Å; F46-F170 AromaticContact CE2-CZ 3.82Å; F46-F170 HydrophobicContact CE2-CZ 3.82Å; F46-F170 HydrophobicContact CZ-CE1 4.29Å; F46-Y381 HydrophobicContact CE2-CD1 4.2Å; F46-Y381 HydrophobicContact CE2-CD2 4.1Å; F46-Y381 HydrophobicContact CE2-CE1 4.14Å; F46-Y381 AromaticContact CE2-CE2 4Å; F46-Y381 HydrophobicContact CE2-CE2 4Å; F46-Y381 HydrophobicContact CE2-CG 4.17Å; F46-Y381 AromaticContact CE2-CZ 4Å
47N95.8Very high93.1Very high16 Ų1622.7 Ų22.79%0.08612%0.122CC..Hα-helixtrans-59.3-44.7175.8-73-23.5000111.6I43 E44 A49 T51 S143 K144I43-N47 WeakPolarHBondContact O-CB 3.4Å; I43-N47 PolarHBondContact O-N 2.91Å; I43-N47 PolarHBondContact O-ND2 2.81Å; E44-N47 PolarHBondContact O-N 2.59Å; N47-A49 VanDerWaalsContact C-N 3.34Å; N47-T51 WeakPolarHBondContact O-CB 3.44Å; N47-T51 WeakPolarHBondContact O-CG2 3.32Å; N47-T51 PolarHBondContact O-N 2.88Å; N47-T51 VanDerWaalsContact O-N 3.15Å; N47-T51 PolarHBondContact O-OG1 3.46Å; N47-S143 WeakPolarHBondContact OD1-CA 3.46Å; N47-S143 WeakPolarHBondContact OD1-CB 3.47Å; N47-K144 HydrophobicContact CB-CD 4.22Å; N47-K144 HydrophobicContact CB-CG 4.44Å; N47-K144 PolarHBondContact OD1-N 2.86Å
48Q93.3Very high93.1Very high14 Ų1420.9 Ų20.97%0.06511%0.112CC..Hα-helixtrans-62.4-43.1175.4-175.1-84.1-2100110.8E44 S45 F46 E52 G53E44-Q48 WeakPolarHBondContact O-CB 3.25Å; E44-Q48 PolarHBondContact O-N 3.39Å; S45-Q48 PolarHBondContact O-N 2.88Å; F46-Q48 VanDerWaalsContact C-N 3.33Å; F46-Q48 PolarHBondContact O-N 3.47Å; Q48-E52 PolarHBondContact O-N 2.84Å; Q48-G53 PolarHBondContact O-N 2.84Å
49A93Very high93Very high1 Ų127.2 Ų27.21%0.00815%0.146CC..Iπ-helixtrans-62.9-43.417900000113.5S45 F46 N47 G53 L54 G378 L382S45-A49 WeakPolarHBondContact O-CB 3.23Å; S45-A49 PolarHBondContact O-N 2.83Å; F46-A49 WeakPolarHBondContact O-CB 3.11Å; F46-A49 PolarHBondContact O-N 2.92Å; N47-A49 VanDerWaalsContact C-N 3.34Å; A49-G53 CarbonylContact O-C 3.23Å; A49-L54 PolarHBondContact O-N 2.91Å; A49-G378 WeakPolarHBondContact CB-O 3.49Å; A49-L382 HydrophobicContact CB-CB 4.15Å
50V91.8Very high92.7Very high13 Ų1328.4 Ų28.48%0.07916%0.155CC..Iπ-helixtrans-83.4-16-176.6-58.80000114.4F46 I82 L145F46-V50 HydrophobicContact CD1-CG1 4.04Å; F46-V50 HydrophobicContact CD1-CG2 4.42Å; F46-V50 HydrophobicContact CD2-CG1 4.37Å; F46-V50 HydrophobicContact CE1-CG1 3.59Å; F46-V50 HydrophobicContact CE1-CG2 4.32Å; F46-V50 HydrophobicContact CE2-CG1 3.93Å; F46-V50 HydrophobicContact CG-CG1 4.43Å; F46-V50 HydrophobicContact CZ-CG1 3.53Å; F46-V50 WeakPolarHBondContact O-CG2 3.47Å; F46-V50 PolarHBondContact O-N 2.82Å; V50-I82 HydrophobicContact CB-CD1 4.47Å; V50-I82 HydrophobicContact CG1-CD1 4.14Å; V50-L145 HydrophobicContact CB-CD1 3.81Å; V50-L145 HydrophobicContact CG1-CD1 4.13Å; V50-L145 HydrophobicContact CG2-CD1 3.67Å; V50-L145 HydrophobicContact CG2-CG 4.07Å
51T89.1Confident92.5Very high70 Ų7026 Ų2643%0.42915%0.145SC..Iπ-helixtrans-98.6-92.2177.956.50000110.5N47N47-T51 WeakPolarHBondContact O-CB 3.44Å; N47-T51 WeakPolarHBondContact O-CG2 3.32Å; N47-T51 PolarHBondContact O-N 2.88Å; N47-T51 VanDerWaalsContact O-N 3.15Å; N47-T51 PolarHBondContact O-OG1 3.46Å
52E88.1Confident92.2Very high53 Ų5329.1 Ų29.125%0.24816%0.164CC..Iπ-helixtrans-67-39.1-177.3-170.2-179.2-161.800112.4Q48 L54 A55 R56 T524Q48-E52 PolarHBondContact O-N 2.84Å; E52-L54 PolarHBondContact O-N 3Å; E52-A55 PolarHBondContact O-N 2.92Å; E52-R56 WeakPolarHBondContact O-CG 3.41Å; E52-R56 PolarHBondContact O-N 3.02Å; E52-R56 VanDerWaalsContact O-N 3.16Å; E52-R56 IonicContact OE1-CZ 3.57Å; E52-R56 IonicContact OE1-NE 3.92Å; E52-R56 PolarHBondContact OE1-NE 3.42Å; E52-R56 IonicContact OE1-NH2 2.81Å; E52-R56 PolarHBondContact OE1-NH2 2.92Å; E52-R56 IonicContact OE2-NH2 3.59Å; E52-T524 PolarHBondContact OE2-OG1 3.11Å
53G89.3Confident91.8Very high1 Ų132.4 Ų32.41%0.0119%0.186CC..Iπ-helixtrans-60.8-42.7-179.400000112.9Q48 A49 A55 R56 V57Q48-G53 PolarHBondContact O-N 2.84Å; A49-G53 CarbonylContact O-C 3.23Å; G53-A55 PolarHBondContact O-N 3.19Å; G53-R56 PolarHBondContact O-N 3Å; G53-V57 PolarHBondContact O-N 3.41Å
54L91.8Very high91.5Very high3 Ų333.2 Ų33.22%0.01619%0.19CC..Hα-helixtrans-63-44-179.4-179.857.6000111.5A49 E52 R56 V57 V58 A80 I82 L385A49-L54 PolarHBondContact O-N 2.91Å; E52-L54 PolarHBondContact O-N 3Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.34Å; L54-V57 PolarHBondContact O-N 2.96Å; L54-V58 HydrophobicContact CD1-CG2 4.47Å; L54-V58 WeakPolarHBondContact O-CG2 3.27Å; L54-V58 PolarHBondContact O-N 3.38Å; L54-A80 HydrophobicContact CD1-CB 4.2Å; L54-A80 HydrophobicContact CD2-CB 4.35Å; L54-A80 VanDerWaalsContact CD2-O 3.29Å; L54-A80 WeakPolarHBondContact CD2-O 3.05Å; L54-A80 HydrophobicContact CG-CB 4.31Å; L54-I82 HydrophobicContact CD2-CD1 4.18Å; L54-I82 HydrophobicContact CD2-CG1 4.08Å; L54-L385 HydrophobicContact CD1-CD2 3.57Å
55A92Very high91.1Very high52 Ų5231.6 Ų31.643%0.4318%0.183SC..Hα-helixtrans-60.1-44.4175.900000111.3E52 G53 V58 L59E52-A55 PolarHBondContact O-N 2.92Å; G53-A55 PolarHBondContact O-N 3.19Å; A55-V58 PolarHBondContact O-N 3.49Å; A55-L59 WeakPolarHBondContact O-CG 3.38Å; A55-L59 PolarHBondContact O-N 3.09Å
56R90.3Very high90.7Very high47 Ų4731.9 Ų31.918%0.17718%0.184CC..Hα-helixtrans-63.9-40.6176.3-66.6176.8-175.7-163.1-3.3112.5E52 G53 L54 L59 A60 E217 E218E52-R56 WeakPolarHBondContact O-CG 3.41Å; E52-R56 PolarHBondContact O-N 3.02Å; E52-R56 VanDerWaalsContact O-N 3.16Å; E52-R56 IonicContact OE1-CZ 3.57Å; E52-R56 IonicContact OE1-NE 3.92Å; E52-R56 PolarHBondContact OE1-NE 3.42Å; E52-R56 IonicContact OE1-NH2 2.81Å; E52-R56 PolarHBondContact OE1-NH2 2.92Å; E52-R56 IonicContact OE2-NH2 3.59Å; G53-R56 PolarHBondContact O-N 3Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.34Å; R56-L59 PolarHBondContact O-N 3.41Å; R56-A60 VanDerWaalsContact O-CB 3.24Å; R56-A60 WeakPolarHBondContact O-CB 3.41Å; R56-A60 PolarHBondContact O-N 2.99Å; R56-E217 IonicContact CZ-OE2 2.77Å; R56-E217 IonicContact NH1-OE2 2.89Å; R56-E218 HydrophobicContact CB-CB 4.22Å
57V91.8Very high90Very high0 Ų036.6 Ų36.60%021%0.207CC..Hα-helixtrans-62-44.8176.8160.30000111.7G53 L54 L59 A60 I61 E218 L382 K386 L389G53-V57 PolarHBondContact O-N 3.41Å; L54-V57 PolarHBondContact O-N 2.96Å; V57-L59 VanDerWaalsContact C-N 3.34Å; V57-L59 PolarHBondContact O-N 2.82Å; V57-A60 PolarHBondContact O-N 3.25Å; V57-I61 HydrophobicContact CG1-CD1 4.15Å; V57-I61 WeakPolarHBondContact O-CG1 3.5Å; V57-I61 PolarHBondContact O-N 2.65Å; V57-E218 HydrophobicContact CG2-CB 3.92Å; V57-E218 HydrophobicContact CG2-CG 4.26Å; V57-L382 HydrophobicContact CB-CD1 4.2Å; V57-L382 HydrophobicContact CG2-CD1 3.38Å; V57-L382 HydrophobicContact CG2-CD2 4.08Å; V57-L382 HydrophobicContact CG2-CG 3.53Å; V57-K386 HydrophobicContact CG1-CB 3.63Å; V57-K386 HydrophobicContact CG1-CG 3.94Å; V57-K386 HydrophobicContact CG2-CB 4.2Å; V57-L389 HydrophobicContact CG1-CD1 4.13Å
58V91.6Very high89Confident3 Ų336.8 Ų36.82%0.01821%0.207CC..Hα-helixtrans-60-46.4179.4165.20000110.9L54 A55 A60 I61 F77 V78 A80L54-V58 HydrophobicContact CD1-CG2 4.47Å; L54-V58 WeakPolarHBondContact O-CG2 3.27Å; L54-V58 PolarHBondContact O-N 3.38Å; A55-V58 PolarHBondContact O-N 3.49Å; V58-A60 VanDerWaalsContact C-N 3.3Å; V58-A60 PolarHBondContact O-N 3.29Å; V58-I61 PolarHBondContact O-N 3.47Å; V58-F77 HydrophobicContact CG1-CB 3.63Å; V58-V78 WeakPolarHBondContact CG1-O 3.42Å; V58-A80 HydrophobicContact CG2-CB 3.59Å
59L90.3Very high88Confident138 Ų13841.3 Ų41.372%0.72323%0.227SC*.Hα-helixtrans-66.8-29.9177.4-66.1173000113.2A55 R56 V57A55-L59 WeakPolarHBondContact O-CG 3.38Å; A55-L59 PolarHBondContact O-N 3.09Å; R56-L59 PolarHBondContact O-N 3.41Å; V57-L59 VanDerWaalsContact C-N 3.34Å; V57-L59 PolarHBondContact O-N 2.82Å
60A89.1Confident87.1Confident24 Ų2449.9 Ų49.920%0.19827%0.267CS..Hα-helixtrans-81.1-11.5-179.300000114.1R56 V57 V58 P62 E218R56-A60 VanDerWaalsContact O-CB 3.24Å; R56-A60 WeakPolarHBondContact O-CB 3.41Å; R56-A60 PolarHBondContact O-N 2.99Å; V57-A60 PolarHBondContact O-N 3.25Å; V58-A60 VanDerWaalsContact C-N 3.3Å; V58-A60 PolarHBondContact O-N 3.29Å; A60-P62 WeakPolarHBondContact O-CD 3.45Å; A60-E218 HydrophobicContact CB-CG 3.8Å
61I90.6Very high86.6Confident12 Ų1252.1 Ų52.16%0.06228%0.278CS..SBendtrans-80.7119176.1-68.3164.6000108.3V57 V58 F77 K386 L389 L393V57-I61 HydrophobicContact CG1-CD1 4.15Å; V57-I61 WeakPolarHBondContact O-CG1 3.5Å; V57-I61 PolarHBondContact O-N 2.65Å; V58-I61 PolarHBondContact O-N 3.47Å; I61-F77 HydrophobicContact CD1-CD2 4.17Å; I61-F77 HydrophobicContact CD1-CE2 4.36Å; I61-F77 HydrophobicContact CG2-CD2 4.27Å; I61-K386 HydrophobicContact CD1-CG 4.44Å; I61-K386 HydrophobicContact CG1-CG 4.11Å; I61-L389 HydrophobicContact CD1-CB 3.54Å; I61-L389 HydrophobicContact CD1-CD1 4.02Å; I61-L389 HydrophobicContact CD1-CG 4.44Å; I61-L393 HydrophobicContact CG2-CD1 3.83Å
62P87.4Confident86.4Confident71 Ų7151.6 Ų51.646%0.46127%0.27SS..PPolyproline II helixtrans-65.5147.7179.726.9-33.9000111.1A60 L64A60-P62 WeakPolarHBondContact O-CD 3.45Å; P62-L64 PolarHBondContact O-N 3.45Å
63P89.3Confident86.4Confident70 Ų7049.1 Ų49.146%0.45526%0.259SS..PPolyproline II helixtrans-60.3132.6176.526-34000110.3E65 T74 A76P63-E65 PolarHBondContact O-N 3.21Å; P63-T74 HydrophobicContact CB-CG2 3.87Å; P63-A76 HydrophobicContact CB-CB 4.01Å
64L88.6Confident86.4Confident38 Ų3850.2 Ų50.220%0.19927%0.265CS..EExtended strand (participates in β ladder)trans-84.1114.1176.9-177.865.6000109.4P62 F66 T74 L75 L393 K397P62-L64 PolarHBondContact O-N 3.45Å; L64-F66 HydrophobicContact CD2-CD1 4.44Å; L64-F66 HydrophobicContact CG-CD1 4.26Å; L64-T74 WeakPolarHBondContact O-CA 3.09Å; L64-L75 PolarHBondContact N-O 2.79Å; L64-L75 PolarHBondContact O-N 3.4Å; L64-L393 HydrophobicContact CB-CB 4.31Å; L64-L393 HydrophobicContact CB-CD1 4.36Å; L64-L393 VanDerWaalsContact CD2-C 3.5Å; L64-L393 HydrophobicContact CD2-CB 3.78Å; L64-L393 VanDerWaalsContact CD2-O 3.23Å; L64-L393 WeakPolarHBondContact CD2-O 3.45Å; L64-K397 HydrophobicContact CD2-CB 3.98Å
65E88.3Confident86.4Confident38 Ų3850 Ų5018%0.17826%0.264CS..EExtended strand (participates in β ladder)trans-106132.8176-51.1-167.3137.500110.8P63 K72 V73 T74 W317P63-E65 PolarHBondContact O-N 3.21Å; E65-K72 VanDerWaalsContact OE1-CE 3.23Å; E65-K72 WeakPolarHBondContact OE1-CE 3.32Å; E65-K72 IonicContact OE1-NZ 2.69Å; E65-K72 PolarHBondContact OE1-NZ 2.94Å; E65-K72 WeakPolarHBondContact OE2-CE 3.33Å; E65-K72 IonicContact OE2-NZ 4Å; E65-K72 PolarHBondContact OE2-NZ 2.87Å; E65-V73 WeakPolarHBondContact CA-O 3.5Å; E65-T74 HydrophobicContact CG-CG2 4.15Å; E65-W317 HydrophobicContact CB-CH2 4.19Å; E65-W317 HydrophobicContact CB-CZ2 3.66Å; E65-W317 PolarHBondContact OE2-NE1 3.27Å
66F86.4Confident86.4Confident5 Ų548.6 Ų48.62%0.02225%0.252CS..EExtended strand (participates in β ladder)trans-151.4158.4173.662.1-83.1000111.8L64 F68 V73 L75 K397 F400L64-F66 HydrophobicContact CD2-CD1 4.44Å; L64-F66 HydrophobicContact CG-CD1 4.26Å; F66-F68 HydrophobicContact CE2-CB 4.26Å; F66-V73 HydrophobicContact CE1-CB 4.32Å; F66-V73 HydrophobicContact CE1-CG1 4.13Å; F66-V73 HydrophobicContact CE2-CB 4.2Å; F66-V73 HydrophobicContact CE2-CG1 4.5Å; F66-V73 HydrophobicContact CZ-CB 4.04Å; F66-V73 HydrophobicContact CZ-CG1 3.88Å; F66-V73 PolarHBondContact N-O 2.95Å; F66-V73 PolarHBondContact O-N 3.49Å; F66-L75 HydrophobicContact CE1-CD1 3.93Å; F66-L75 HydrophobicContact CE1-CG 4.22Å; F66-L75 HydrophobicContact CZ-CD1 4.37Å; F66-K397 HydrophobicContact CB-CD 3.95Å; F66-K397 HydrophobicContact CB-CG 4.3Å; F66-K397 HydrophobicContact CD1-CB 4.31Å; F66-K397 HydrophobicContact CD1-CD 4.33Å; F66-K397 HydrophobicContact CD1-CG 4.14Å; F66-K397 HydrophobicContact CD2-CG 4.15Å; F66-K397 HydrophobicContact CE1-CB 4.34Å; F66-K397 HydrophobicContact CG-CD 4.1Å; F66-K397 HydrophobicContact CG-CG 3.94Å; F66-F400 HydrophobicContact CE2-CB 3.79Å; F66-F400 AromaticContact CE2-CD1 3.95Å; F66-F400 HydrophobicContact CE2-CD1 3.95Å; F66-F400 HydrophobicContact CE2-CD2 4.46Å; F66-F400 AromaticContact CE2-CG 3.83Å; F66-F400 HydrophobicContact CE2-CG 3.83Å; F66-F400 HydrophobicContact CZ-CB 4.11Å; F66-F400 AromaticContact CZ-CD1 3.99Å; F66-F400 HydrophobicContact CZ-CD1 3.99Å; F66-F400 AromaticContact CZ-CD2 3.94Å; F66-F400 HydrophobicContact CZ-CD2 3.94Å; F66-F400 HydrophobicContact CZ-CE1 4.36Å; F66-F400 HydrophobicContact CZ-CE2 4.33Å; F66-F400 AromaticContact CZ-CG 3.76Å; F66-F400 HydrophobicContact CZ-CG 3.76Å
67M82.1Confident86.5Confident99 Ų9947.1 Ų47.149%0.48825%0.247SC..EExtended strand (participates in β ladder)trans-87130.7177.1-70-62.8-72.100110.5K72 W317M67-K72 HydrophobicContact SD-CB 4.23Å; M67-W317 HydrophobicContact CG-CE3 4.43Å; M67-W317 HydrophobicContact CG-CH2 4.42Å; M67-W317 HydrophobicContact CG-CZ3 3.76Å; M67-W317 HydrophobicContact SD-CZ3 4.43Å
68F76.1Confident86.5Confident21 Ų2150.3 Ų50.39%0.09227%0.266CS..EExtended strand (participates in β ladder)trans-132.9112.3174.2-175.8-99.4000110.3F66 Q70 N71 V73 F400 G404 L411F66-F68 HydrophobicContact CE2-CB 4.26Å; F68-Q70 VanDerWaalsContact C-N 3.29Å; F68-Q70 PolarHBondContact O-N 3.47Å; F68-N71 PolarHBondContact N-O 2.99Å; F68-N71 WeakPolarHBondContact O-CB 3.3Å; F68-N71 PolarHBondContact O-N 2.97Å; F68-V73 HydrophobicContact CB-CG2 3.89Å; F68-F400 HydrophobicContact CD2-CB 4.38Å; F68-F400 HydrophobicContact CD2-CD1 4.17Å; F68-F400 HydrophobicContact CE2-CD1 4.45Å; F68-F400 HydrophobicContact CG-CD1 4.35Å; F68-G404 VanDerWaalsContact CZ-CA 3.46Å; F68-L411 HydrophobicContact CD1-CD1 3.46Å; F68-L411 VanDerWaalsContact CD1-CD1 3.46Å; F68-L411 HydrophobicContact CD1-CG 4.46Å; F68-L411 HydrophobicContact CE1-CD1 3.77Å; F68-L411 HydrophobicContact CE1-CG 4.32Å; F68-L411 HydrophobicContact CG-CD1 4.43Å
69K70.8Confident86.6Confident109 Ų10955.9 Ų55.947%0.47429%0.292SS..THydrogen-bonded Turntrans45.350.9-177.9-62-173.7179.1-176.60112.9N71 G404 L407K69-N71 PolarHBondContact O-N 3.48Å; K69-G404 WeakPolarHBondContact CE-O 3.45Å; K69-G404 PolarHBondContact NZ-O 3.49Å; K69-L407 PolarHBondContact NZ-O 3.27Å
70Q75.5Confident86.8Confident181 Ų18149.8 Ų49.885%0.84626%0.262SS*.THydrogen-bonded Turntrans68.60.2-177.9-55.9173.2-18.100116.4F68F68-Q70 VanDerWaalsContact C-N 3.29Å; F68-Q70 PolarHBondContact O-N 3.47Å
71N81.2Confident87Confident60 Ų6050.5 Ų50.532%0.32127%0.265SS..EExtended strand (participates in β ladder)trans-98.2138.5171-67.4-52.7000111.4F68 K69 V73 I122 N123F68-N71 PolarHBondContact N-O 2.99Å; F68-N71 WeakPolarHBondContact O-CB 3.3Å; F68-N71 PolarHBondContact O-N 2.97Å; K69-N71 PolarHBondContact O-N 3.48Å; N71-V73 PolarHBondContact O-N 3.31Å; N71-I122 HydrophobicContact CB-CG2 3.91Å; N71-N123 WeakPolarHBondContact CA-OD1 3.25Å; N71-N123 PolarHBondContact OD1-ND2 2.84Å
72K84.6Confident87.3Confident59 Ų5950.5 Ų50.526%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-79.9112172.8-175.7179.9179.3-176.20109.1E65 M67 I122 N123E65-K72 VanDerWaalsContact OE1-CE 3.23Å; E65-K72 WeakPolarHBondContact OE1-CE 3.32Å; E65-K72 IonicContact OE1-NZ 2.69Å; E65-K72 PolarHBondContact OE1-NZ 2.94Å; E65-K72 WeakPolarHBondContact OE2-CE 3.33Å; E65-K72 IonicContact OE2-NZ 4Å; E65-K72 PolarHBondContact OE2-NZ 2.87Å; M67-K72 HydrophobicContact SD-CB 4.23Å; K72-I122 CarbonylContact O-C 3.48Å; K72-I122 WeakPolarHBondContact O-CA 3.49Å; K72-N123 PolarHBondContact N-OD1 3.13Å; K72-N123 PolarHBondContact O-N 3.45Å
73V87.3Confident87.6Confident1 Ų150.8 Ų50.81%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-99.9127.9174.8-179.60000108.7E65 F66 F68 N71 L75 A121 L411E65-V73 WeakPolarHBondContact CA-O 3.5Å; F66-V73 HydrophobicContact CE1-CB 4.32Å; F66-V73 HydrophobicContact CE1-CG1 4.13Å; F66-V73 HydrophobicContact CE2-CB 4.2Å; F66-V73 HydrophobicContact CE2-CG1 4.5Å; F66-V73 HydrophobicContact CZ-CB 4.04Å; F66-V73 HydrophobicContact CZ-CG1 3.88Å; F66-V73 PolarHBondContact N-O 2.95Å; F66-V73 PolarHBondContact O-N 3.49Å; F68-V73 HydrophobicContact CB-CG2 3.89Å; N71-V73 PolarHBondContact O-N 3.31Å; V73-L75 HydrophobicContact CG1-CD2 4.35Å; V73-L75 HydrophobicContact CG1-CG 4.38Å; V73-A121 WeakPolarHBondContact CA-O 3.49Å; V73-L411 HydrophobicContact CG2-CD1 4.31Å
74T89.6Confident87.8Confident23 Ų2350.2 Ų50.214%0.14125%0.254CS..EExtended strand (participates in β ladder)trans-115.3127.5174.2-57.80000109P63 L64 E65 W120 A121P63-T74 HydrophobicContact CB-CG2 3.87Å; L64-T74 WeakPolarHBondContact O-CA 3.09Å; E65-T74 HydrophobicContact CG-CG2 4.15Å; T74-W120 VanDerWaalsContact O-CA 3.28Å; T74-W120 WeakPolarHBondContact O-CA 3.24Å; T74-A121 PolarHBondContact N-O 3.26Å; T74-A121 PolarHBondContact O-N 3.39Å
75L90.9Very high88.1Confident0 Ų048.5 Ų48.50%025%0.245CC..EExtended strand (participates in β ladder)trans-117.6128.9173.6-61.2178.2000109.6L64 F66 V73 W120 L393 V396 F400L64-L75 PolarHBondContact N-O 2.79Å; L64-L75 PolarHBondContact O-N 3.4Å; F66-L75 HydrophobicContact CE1-CD1 3.93Å; F66-L75 HydrophobicContact CE1-CG 4.22Å; F66-L75 HydrophobicContact CZ-CD1 4.37Å; V73-L75 HydrophobicContact CG1-CD2 4.35Å; V73-L75 HydrophobicContact CG1-CG 4.38Å; L75-W120 HydrophobicContact CD2-CB 3.6Å; L75-L393 HydrophobicContact CB-CD2 4.24Å; L75-V396 HydrophobicContact CD1-CG1 3.72Å; L75-F400 HydrophobicContact CD1-CE2 4.41Å
76A92.6Very high88.3Confident22 Ų2250 Ų5018%0.18226%0.256CS..EExtended strand (participates in β ladder)trans-138.4148.8176.600000111.3P63 I118 S119P63-A76 HydrophobicContact CB-CB 4.01Å; A76-I118 CarbonylContact O-C 3.54Å; A76-I118 WeakPolarHBondContact O-CA 3.41Å; A76-S119 PolarHBondContact N-O 2.9Å; A76-S119 PolarHBondContact O-N 3.04Å; A76-S119 PolarHBondContact O-OG 3.44Å
77F93.4Very high88.2Confident15 Ų1551.1 Ų51.17%0.06626%0.263CS..EExtended strand (participates in β ladder)trans-82135.5169.1-68.3-70.8000109.4V58 I61 A116 I118 L134 L389 W392 L393V58-F77 HydrophobicContact CG1-CB 3.63Å; I61-F77 HydrophobicContact CD1-CD2 4.17Å; I61-F77 HydrophobicContact CD1-CE2 4.36Å; I61-F77 HydrophobicContact CG2-CD2 4.27Å; F77-A116 HydrophobicContact CD1-CB 3.9Å; F77-A116 HydrophobicContact CE1-CB 3.91Å; F77-I118 HydrophobicContact CD1-CG1 3.99Å; F77-I118 HydrophobicContact CE1-CD1 4.34Å; F77-I118 HydrophobicContact CE1-CG1 4.04Å; F77-L134 HydrophobicContact CE1-CD1 4.16Å; F77-L389 HydrophobicContact CE1-CD2 4.48Å; F77-L389 HydrophobicContact CE2-CB 3.98Å; F77-L389 HydrophobicContact CZ-CB 4.28Å; F77-L389 HydrophobicContact CZ-CD2 4.05Å; F77-W392 HydrophobicContact CE1-CE3 4.1Å; F77-W392 HydrophobicContact CE1-CZ3 4.09Å; F77-W392 AromaticContact CZ-CE3 3.61Å; F77-W392 HydrophobicContact CZ-CE3 3.61Å; F77-W392 HydrophobicContact CZ-CZ3 4.02Å; F77-L393 HydrophobicContact CD2-CD1 3.87Å; F77-L393 HydrophobicContact CD2-CD2 4.4Å; F77-L393 HydrophobicContact CD2-CG 4.25Å; F77-L393 HydrophobicContact CE2-CD1 3.53Å; F77-L393 HydrophobicContact CE2-CD2 3.85Å; F77-L393 HydrophobicContact CE2-CG 3.49Å; F77-L393 VanDerWaalsContact CE2-CG 3.49Å; F77-L393 HydrophobicContact CZ-CD1 4.46Å; F77-L393 HydrophobicContact CZ-CD2 4.01Å; F77-L393 HydrophobicContact CZ-CG 3.96Å
78V92.1Very high88Confident67 Ų6750.3 Ų50.341%0.40626%0.264SS..EExtended strand (participates in β ladder)trans-99.6-51.9175.2-1790000109.5V58 D117 I129V58-V78 WeakPolarHBondContact CG1-O 3.42Å; V78-D117 PolarHBondContact N-O 3.35Å; V78-I129 HydrophobicContact CG2-CD1 4.29Å; V78-I129 HydrophobicContact CG2-CG1 4.46Å
79E92.8Very high87.7Confident121 Ų12158.7 Ų58.757%0.56530%0.301SS*.EExtended strand (participates in β ladder)trans-147.1153.4-179.2-168.2176174.200109.8A116 D117E79-A116 CarbonylContact O-C 3.58Å; E79-A116 WeakPolarHBondContact O-CA 3.36Å; E79-D117 PolarHBondContact O-N 3.47Å
80A94.1Very high87.6Confident10 Ų1057.6 Ų57.68%0.08332%0.32CS..EExtended strand (participates in β ladder)trans-138.5143.1168.800000110.4L54 V58 V115 A116L54-A80 HydrophobicContact CD1-CB 4.2Å; L54-A80 HydrophobicContact CD2-CB 4.35Å; L54-A80 VanDerWaalsContact CD2-O 3.29Å; L54-A80 WeakPolarHBondContact CD2-O 3.05Å; L54-A80 HydrophobicContact CG-CB 4.31Å; V58-A80 HydrophobicContact CG2-CB 3.59Å; A80-V115 CarbonylContact C-O 3.34Å; A80-V115 WeakPolarHBondContact CA-O 3.26Å; A80-A116 HydrophobicContact CB-CB 4.03Å
81S94.4Very high87.3Confident39 Ų3950.2 Ų50.227%0.27329%0.289SS..EExtended strand (participates in β ladder)trans-135142.5178.8560000111V115S81-V115 PolarHBondContact N-O 2.78Å; S81-V115 PolarHBondContact O-N 2.83Å
82I95.1Very high86.8Confident12 Ų1255.8 Ų55.86%0.06232%0.316CS..EExtended strand (participates in β ladder)trans-108.6123.3173.2-60168.3000107.4V50 L54 K113 L114 V137 I139 L145V50-I82 HydrophobicContact CB-CD1 4.47Å; V50-I82 HydrophobicContact CG1-CD1 4.14Å; L54-I82 HydrophobicContact CD2-CD1 4.18Å; L54-I82 HydrophobicContact CD2-CG1 4.08Å; I82-K113 WeakPolarHBondContact CA-O 3.23Å; I82-L114 HydrophobicContact CD1-CD1 4.4Å; I82-L114 HydrophobicContact CG1-CD1 3.59Å; I82-V137 HydrophobicContact CD1-CG2 4.03Å; I82-V137 HydrophobicContact CG1-CG2 4.18Å; I82-V137 HydrophobicContact CG2-CG2 3.78Å; I82-I139 HydrophobicContact CG2-CD1 3.54Å; I82-L145 HydrophobicContact CB-CD1 3.85Å; I82-L145 HydrophobicContact CG2-CD1 3.78Å; I82-L145 WeakPolarHBondContact O-CD2 3.5Å
83H93.8Very high86.3Confident77 Ų7755.4 Ų55.436%0.35632%0.321SS..PPolyproline II helixtrans-89.9156.2178.3-64.8-72.1000111.9G112 K113H83-G112 WeakPolarHBondContact O-CA 3.48Å; H83-K113 HydrophobicContact CB-CB 4.46Å; H83-K113 PolarHBondContact N-O 3.3Å
84N94.3Very high85.8Confident58 Ų5862.7 Ų62.731%0.3137%0.365SS..PPolyproline II helixtrans-62.3154.117363.1-48.6000111.6V86 L145 N147N84-V86 PolarHBondContact O-N 3.49Å; N84-L145 WeakPolarHBondContact CA-O 3.46Å; N84-L145 VanDerWaalsContact CB-O 3.31Å; N84-L145 WeakPolarHBondContact CB-O 3.44Å; N84-N147 PolarHBondContact ND2-OD1 2.89Å
85P94.5Very high85.5Confident2 Ų266.7 Ų66.71%0.01338%0.383CS..PPolyproline II helixtrans-64.1123178.4-29.642.7000112.3V98 Y110 K111 I139 L145 N147P85-V98 HydrophobicContact CB-CB 4.32Å; P85-V98 PolarHBondContact O-N 2.99Å; P85-Y110 HydrophobicContact CB-CD2 4.07Å; P85-Y110 HydrophobicContact CB-CE2 3.57Å; P85-Y110 HydrophobicContact CG-CD1 4.22Å; P85-Y110 HydrophobicContact CG-CD2 4.12Å; P85-Y110 HydrophobicContact CG-CE1 3.75Å; P85-Y110 HydrophobicContact CG-CE2 3.63Å; P85-Y110 HydrophobicContact CG-CG 4.4Å; P85-Y110 VanDerWaalsContact CG-CZ 3.43Å; P85-K111 WeakPolarHBondContact CA-O 3.5Å; P85-K111 VanDerWaalsContact CB-O 3.23Å; P85-K111 WeakPolarHBondContact CB-O 3.38Å; P85-K111 WeakPolarHBondContact CG-O 3.46Å; P85-I139 HydrophobicContact CG-CB 4.13Å; P85-I139 HydrophobicContact CG-CG1 3.78Å; P85-L145 WeakPolarHBondContact CD-O 3.18Å; P85-N147 PolarHBondContact O-ND2 3.24Å
86V91.8Very high85.3Confident69 Ų6971.5 Ų71.542%0.41841%0.406SS..BIsolated β-bridgetrans-136.5154.6179.3-64.80000110.4N84 M96N84-V86 PolarHBondContact O-N 3.49Å; V86-M96 CarbonylContact C-O 3.53Å; V86-M96 WeakPolarHBondContact CA-O 3.35Å; V86-M96 WeakPolarHBondContact CB-O 3.21Å
87V85.1Confident85.2Confident28 Ų2875.6 Ų75.617%0.1742%0.42CS..PPolyproline II helixtrans-63.9143.9174-174.50000109.5C93 M96 V98V87-C93 HydrophobicContact CG1-CB 4.33Å; V87-C93 HydrophobicContact CG2-CB 4.29Å; V87-M96 PolarHBondContact N-O 2.63Å; V87-V98 HydrophobicContact CG2-CG2 3.63Å
88T77.7Confident85.2Confident83 Ų8375.9 Ų75.951%0.50942%0.423SS..PPolyproline II helixtrans-60.3138.6177.7-51.80000110.8G90 S91T88-G90 PolarHBondContact O-N 2.96Å; T88-S91 PolarHBondContact O-N 3.31Å; T88-S91 PolarHBondContact O-OG 2.91Å
89K70.4Confident85.3Confident197 Ų19774 Ų7486%0.85741%0.408SS*.THydrogen-bonded Turntrans-59.3127.1177.7-65.9-172.6177.9-171.60110.2
90G68Low85.4Confident85 Ų8568.2 Ų68.288%0.87638%0.382SS*.THydrogen-bonded Turntrans104.9-8.9-179.800000115T88T88-G90 PolarHBondContact O-N 2.96Å
91S70.1Confident85.4Confident27 Ų2768.4 Ų68.419%0.18938%0.383CS..SBendtrans-80.8141.6172.5-56.40000111.5T88 C93T88-S91 PolarHBondContact O-N 3.31Å; T88-S91 PolarHBondContact O-OG 2.91Å; S91-C93 PolarHBondContact O-N 3.18Å
92I70.4Confident85.2Confident176 Ų17669.9 Ų69.990%0.90339%0.386SS*.  trans-72.5115.3171.9-56.3170.8000107.8
93C73.4Confident85Confident52 Ų5269.5 Ų69.535%0.35138%0.384SS..  trans-143.3150178.455.40000110.8V87 S91V87-C93 HydrophobicContact CG1-CB 4.33Å; V87-C93 HydrophobicContact CG2-CB 4.29Å; S91-C93 PolarHBondContact O-N 3.18Å
94T76.6Confident84.9Confident154 Ų15466 Ų6695%0.94537%0.367SS*.SBendtrans-78.5-40.8172.947.20000111.1
95E83.5Confident84.5Confident107 Ų10763.7 Ų63.750%0.536%0.357SS..  trans-126.2139.7175.4-67.2-173.6-178.400110.4K97E95-K97 VanDerWaalsContact C-N 3.34Å
96M87.1Confident84.1Confident101 Ų10166.4 Ų66.450%0.49837%0.367SS..SBendtrans-76.6-22.1178.1-70.4-65-6400112.9V86 V87V86-M96 CarbonylContact C-O 3.53Å; V86-M96 WeakPolarHBondContact CA-O 3.35Å; V86-M96 WeakPolarHBondContact CB-O 3.21Å; V87-M96 PolarHBondContact N-O 2.63Å
97K91.3Very high83.8Confident108 Ų10864.9 Ų64.947%0.4735%0.354SS..BIsolated β-bridgetrans-79.6129.7-178.4-69.4-178.9-177.4176.50109.5E95 Y99E95-K97 VanDerWaalsContact C-N 3.34Å; K97-Y99 HydrophobicContact CB-CE2 3.92Å
98V91.9Very high83.9Confident20 Ų2064.5 Ų64.512%0.12135%0.352CS..PPolyproline II helixtrans-92.2128.9171.7177.60000108.4P85 V87 Y110 N147P85-V98 HydrophobicContact CB-CB 4.32Å; P85-V98 PolarHBondContact O-N 2.99Å; V87-V98 HydrophobicContact CG2-CG2 3.63Å; V98-Y110 HydrophobicContact CG1-CD2 4.43Å; V98-Y110 HydrophobicContact CG1-CE2 4.44Å; V98-Y110 WeakPolarHBondContact O-CE2 3.39Å; V98-N147 PolarHBondContact O-ND2 3.32Å
99Y94.4Very high84.7Confident28 Ų2861 Ų6111%0.1133%0.331CS..PPolyproline II helixtrans-100.6151.2177.5-70.9-89000111.3K97 A101 E102 C103 N147 L148 L151 H159K97-Y99 HydrophobicContact CB-CE2 3.92Å; Y99-A101 VanDerWaalsContact C-N 3.31Å; Y99-A101 PolarHBondContact O-N 2.97Å; Y99-E102 WeakPolarHBondContact O-CB 3.15Å; Y99-E102 PolarHBondContact O-N 3.15Å; Y99-E102 VanDerWaalsContact O-N 3.12Å; Y99-C103 PolarHBondContact O-N 3.25Å; Y99-N147 HydrophobicContact CD1-CB 4.2Å; Y99-N147 HydrophobicContact CE1-CB 4.05Å; Y99-L148 HydrophobicContact CD1-CD2 3.73Å; Y99-L148 HydrophobicContact CE1-CD2 4.27Å; Y99-L151 HydrophobicContact CE1-CD1 4.36Å; Y99-H159 HydrophobicContact CD1-CB 4.15Å; Y99-H159 AromaticContact CD2-ND1 3.97Å; Y99-H159 HydrophobicContact CE1-CB 4.35Å; Y99-H159 AromaticContact CE1-CD2 3.9Å; Y99-H159 AromaticContact CE1-CE1 3.88Å; Y99-H159 AromaticContact CE1-CG 3.78Å; Y99-H159 AromaticContact CE1-ND1 3.77Å; Y99-H159 AromaticContact CE1-NE2 3.96Å; Y99-H159 AromaticContact CE2-CE1 3.64Å; Y99-H159 AromaticContact CE2-ND1 3.63Å; Y99-H159 AromaticContact CZ-CE1 3.32Å; Y99-H159 AromaticContact CZ-CG 4Å; Y99-H159 AromaticContact CZ-ND1 3.51Å; Y99-H159 AromaticContact CZ-NE2 3.68Å; Y99-H159 PolarHBondContact OH-CE1 2.74Å; Y99-H159 VanDerWaalsContact OH-CE1 3.22Å; Y99-H159 PolarHBondContact OH-NE2 3.22Å
100P95.2Very high85.9Confident0 Ų051.7 Ų51.70%029%0.29CS..Hα-helixtrans-57.9-38.5-177.9-27.238.2000113.9E102 C103 R104 Y110 V141 L148 E161 I171P100-E102 VanDerWaalsContact C-N 3.27Å; P100-E102 PolarHBondContact O-N 3.08Å; P100-C103 WeakPolarHBondContact O-CB 3.45Å; P100-C103 PolarHBondContact O-N 3.16Å; P100-R104 WeakPolarHBondContact O-CG 3.41Å; P100-R104 PolarHBondContact O-N 3.26Å; P100-Y110 HydrophobicContact CG-CD2 4.44Å; P100-Y110 HydrophobicContact CG-CE1 4.13Å; P100-Y110 HydrophobicContact CG-CE2 4.04Å; P100-V141 HydrophobicContact CB-CG2 4.27Å; P100-V141 HydrophobicContact CG-CG1 4.25Å; P100-V141 HydrophobicContact CG-CG2 4.32Å; P100-L148 HydrophobicContact CB-CD1 4.39Å; P100-L148 HydrophobicContact CG-CD1 3.64Å; P100-L148 HydrophobicContact CG-CG 3.88Å; P100-E161 WeakPolarHBondContact CB-OE1 3.5Å; P100-I171 HydrophobicContact CB-CD1 3.55Å
101A93.5Very high87.1Confident13 Ų1349.9 Ų49.911%0.10726%0.258CS..Hα-helixtrans-53.2-42174.500000112.9Y99 C103 R104 G105 H160 E161Y99-A101 VanDerWaalsContact C-N 3.31Å; Y99-A101 PolarHBondContact O-N 2.97Å; A101-C103 VanDerWaalsContact C-N 3.35Å; A101-C103 PolarHBondContact O-N 3.26Å; A101-R104 PolarHBondContact O-N 3.49Å; A101-G105 PolarHBondContact O-N 3.18Å; A101-H160 HydrophobicContact CB-CB 3.98Å; A101-E161 WeakPolarHBondContact CA-OE1 3.47Å; A101-E161 WeakPolarHBondContact CB-OE1 3.27Å; A101-E161 PolarHBondContact N-OE1 2.84Å
102E90.3Very high88.3Confident71 Ų7148.6 Ų48.633%0.33225%0.25SC..Hα-helixtrans-61.8-43.9176.7-164.8-162.6154.600111Y99 P100 R104 G105 R106Y99-E102 WeakPolarHBondContact O-CB 3.15Å; Y99-E102 PolarHBondContact O-N 3.15Å; Y99-E102 VanDerWaalsContact O-N 3.12Å; P100-E102 VanDerWaalsContact C-N 3.27Å; P100-E102 PolarHBondContact O-N 3.08Å; E102-R104 PolarHBondContact O-N 3.29Å; E102-G105 PolarHBondContact O-N 3.33Å; E102-R106 HydrophobicContact CG-CG 4.36Å; E102-R106 WeakPolarHBondContact O-CB 3.48Å; E102-R106 WeakPolarHBondContact O-CG 3.2Å; E102-R106 PolarHBondContact O-N 2.97Å; E102-R106 VanDerWaalsContact OE1-CD 3.29Å; E102-R106 WeakPolarHBondContact OE1-CD 3.46Å; E102-R106 IonicContact OE1-CZ 3.52Å; E102-R106 IonicContact OE1-NE 3.42Å; E102-R106 IonicContact OE1-NH1 3.01Å; E102-R106 PolarHBondContact OE1-NH1 3.12Å
103C91.6Very high89.4Confident3 Ų345 Ų452%0.0223%0.228CC..Hα-helixtrans-65.2-37.6178.1-66.90000112.9Y99 P100 A101 R107 C108 I171Y99-C103 PolarHBondContact O-N 3.25Å; P100-C103 WeakPolarHBondContact O-CB 3.45Å; P100-C103 PolarHBondContact O-N 3.16Å; A101-C103 VanDerWaalsContact C-N 3.35Å; A101-C103 PolarHBondContact O-N 3.26Å; C103-R107 WeakPolarHBondContact O-CA 3.33Å; C103-R107 PolarHBondContact O-N 3.2Å; C103-R107 VanDerWaalsContact O-N 3.09Å; C103-C108 VanDerWaalsContact CA-SG 3.56Å; C103-C108 PolarHBondContact O-N 2.85Å; C103-C108 VanDerWaalsContact SG-SG 3.66Å; C103-I171 HydrophobicContact CB-CG2 4.11Å
104R90.9Very high90.4Very high4 Ų442.5 Ų42.52%0.01521%0.211CC..Hα-helixtrans-64.1-46.7173.5-60-169-158.291.9-4.1110.9P100 A101 E102 R107 E161 Y169 I171 E176P100-R104 WeakPolarHBondContact O-CG 3.41Å; P100-R104 PolarHBondContact O-N 3.26Å; A101-R104 PolarHBondContact O-N 3.49Å; E102-R104 PolarHBondContact O-N 3.29Å; R104-R107 PolarHBondContact O-N 2.94Å; R104-E161 IonicContact CZ-OE1 2.75Å; R104-E161 IonicContact CZ-OE2 3.93Å; R104-E161 VanDerWaalsContact CZ-OE2 3.28Å; R104-E161 VanDerWaalsContact NH1-CD 3.27Å; R104-E161 IonicContact NH1-OE1 3.02Å; R104-E161 PolarHBondContact NH1-OE1 3.44Å; R104-E161 IonicContact NH1-OE2 2.89Å; R104-E161 PolarHBondContact NH1-OE2 3.07Å; R104-E161 IonicContact NH2-OE1 3.31Å; R104-E161 IonicContact NH2-OE2 2.8Å; R104-E161 PolarHBondContact NH2-OE2 3.11Å; R104-Y169 PolarHBondContact NH2-OH 2.93Å; R104-I171 HydrophobicContact CG-CD1 3.84Å; R104-I171 HydrophobicContact CG-CG2 4.41Å; R104-E176 IonicContact CZ-OE1 3.96Å; R104-E176 IonicContact NE-OE1 2.67Å; R104-E176 PolarHBondContact NE-OE1 3.13Å; R104-E176 IonicContact NH2-OE1 3.57Å
105G87.1Confident91.2Very high9 Ų935.6 Ų35.69%0.09317%0.168CC..Hα-helixtrans-62.9-45.5179.600000113.3A101 E102 R107A101-G105 PolarHBondContact O-N 3.18Å; E102-G105 PolarHBondContact O-N 3.33Å; G105-R107 VanDerWaalsContact C-N 3.28Å; G105-R107 PolarHBondContact O-N 3.38Å
106R84.8Confident91.7Very high59 Ų5930.5 Ų30.522%0.22315%0.145CC..Hα-helixtrans-77.6-9.2179.8-68.3174.968.4150.91.8114.4E102 C108 D857E102-R106 HydrophobicContact CG-CG 4.36Å; E102-R106 WeakPolarHBondContact O-CB 3.48Å; E102-R106 WeakPolarHBondContact O-CG 3.2Å; E102-R106 PolarHBondContact O-N 2.97Å; E102-R106 VanDerWaalsContact OE1-CD 3.29Å; E102-R106 WeakPolarHBondContact OE1-CD 3.46Å; E102-R106 IonicContact OE1-CZ 3.52Å; E102-R106 IonicContact OE1-NE 3.42Å; E102-R106 IonicContact OE1-NH1 3.01Å; E102-R106 PolarHBondContact OE1-NH1 3.12Å; R106-C108 VanDerWaalsContact C-N 3.29Å; R106-C108 PolarHBondContact O-N 3.09Å; R106-D857 IonicContact CZ-OD1 3.78Å; R106-D857 IonicContact NE-OD1 3.69Å; R106-D857 IonicContact NH2-OD1 2.95Å; R106-D857 PolarHBondContact NH2-OD1 3.45Å
107R86.7Confident92.1Very high38 Ų3827.4 Ų27.414%0.14313%0.13CC..THydrogen-bonded Turntrans52.244-168.3-65.9-171.3169.5-164.71113.8C103 R104 G105 N173 S707 N709 T776 L778C103-R107 WeakPolarHBondContact O-CA 3.33Å; C103-R107 PolarHBondContact O-N 3.2Å; C103-R107 VanDerWaalsContact O-N 3.09Å; R104-R107 PolarHBondContact O-N 2.94Å; G105-R107 VanDerWaalsContact C-N 3.28Å; G105-R107 PolarHBondContact O-N 3.38Å; R107-N173 CarbonylContact O-C 3.56Å; R107-N173 WeakPolarHBondContact O-CA 3.44Å; R107-S707 PolarHBondContact NE-O 3.22Å; R107-S707 PolarHBondContact NH2-O 2.88Å; R107-S707 VanDerWaalsContact NH2-O 3.08Å; R107-N709 PolarHBondContact NH2-OD1 3.48Å; R107-N709 VanDerWaalsContact NH2-OD1 3.1Å; R107-T776 PolarHBondContact NH2-O 2.85Å; R107-L778 HydrophobicContact CB-CD2 4.43Å; R107-L778 VanDerWaalsContact NH1-CB 3.35Å
108C88Confident92.2Very high20 Ų2022.3 Ų22.314%0.13511%0.108CC..  trans-109.6174.8172.269.20000111.3C103 R106 G174C103-C108 VanDerWaalsContact CA-SG 3.56Å; C103-C108 PolarHBondContact O-N 2.85Å; C103-C108 VanDerWaalsContact SG-SG 3.66Å; R106-C108 VanDerWaalsContact C-N 3.29Å; R106-C108 PolarHBondContact O-N 3.09Å; C108-G174 PolarHBondContact O-N 2.71Å
109S93.3Very high92.2Very high10 Ų1023.1 Ų23.17%0.0712%0.115CC..  trans-95.1137.3-179.3-59.60000110.8K111 I171 N173S109-K111 PolarHBondContact O-N 3.07Å; S109-I171 VanDerWaalsContact CA-O 3.29Å; S109-I171 WeakPolarHBondContact CA-O 3.08Å; S109-N173 PolarHBondContact OG-N 3.29Å; S109-N173 PolarHBondContact OG-OD1 3.31Å
110Y95.6Very high92Very high0 Ų022.1 Ų22.10%011%0.111CC..  trans-82.5103.2179.1-173.1-116.7000110.6P85 V98 P100 P138 I139 C146 N147 I171P85-Y110 HydrophobicContact CB-CD2 4.07Å; P85-Y110 HydrophobicContact CB-CE2 3.57Å; P85-Y110 HydrophobicContact CG-CD1 4.22Å; P85-Y110 HydrophobicContact CG-CD2 4.12Å; P85-Y110 HydrophobicContact CG-CE1 3.75Å; P85-Y110 HydrophobicContact CG-CE2 3.63Å; P85-Y110 HydrophobicContact CG-CG 4.4Å; P85-Y110 VanDerWaalsContact CG-CZ 3.43Å; V98-Y110 HydrophobicContact CG1-CD2 4.43Å; V98-Y110 HydrophobicContact CG1-CE2 4.44Å; V98-Y110 WeakPolarHBondContact O-CE2 3.39Å; P100-Y110 HydrophobicContact CG-CD2 4.44Å; P100-Y110 HydrophobicContact CG-CE1 4.13Å; P100-Y110 HydrophobicContact CG-CE2 4.04Å; Y110-P138 WeakPolarHBondContact O-CA 3.48Å; Y110-I139 HydrophobicContact CD1-CB 4.02Å; Y110-I139 WeakPolarHBondContact CD1-O 3.46Å; Y110-I139 HydrophobicContact CE1-CB 4Å; Y110-I139 HydrophobicContact CE1-CG2 4.07Å; Y110-I139 PolarHBondContact O-N 2.96Å; Y110-C146 HydrophobicContact CE1-CB 4.35Å; Y110-C146 PolarHBondContact OH-SG 3.39Å; Y110-N147 PolarHBondContact OH-N 3.13Å; Y110-N147 VanDerWaalsContact OH-N 3.1Å; Y110-I171 PolarHBondContact N-O 3.34Å
111K94.4Very high91.8Very high47 Ų4722.9 Ų22.920%0.20412%0.117CC..EExtended strand (participates in β ladder)trans-132.2143.4-165.9-59.8178.6-71.2-171.90113.5P85 S109 Q136 V137 P138 T427 E431P85-K111 WeakPolarHBondContact CA-O 3.5Å; P85-K111 VanDerWaalsContact CB-O 3.23Å; P85-K111 WeakPolarHBondContact CB-O 3.38Å; P85-K111 WeakPolarHBondContact CG-O 3.46Å; S109-K111 PolarHBondContact O-N 3.07Å; K111-Q136 HydrophobicContact CB-CB 4.01Å; K111-Q136 HydrophobicContact CD-CB 4.28Å; K111-V137 WeakPolarHBondContact CA-O 3.34Å; K111-P138 HydrophobicContact CG-CG 4.37Å; K111-T427 HydrophobicContact CD-CG2 4.15Å; K111-E431 WeakPolarHBondContact CD-OE1 3.29Å; K111-E431 IonicContact NZ-OE1 2.78Å; K111-E431 PolarHBondContact NZ-OE1 3.24Å
112G94.1Very high91.5Very high1 Ų123.5 Ų23.51%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-112.9154.3175.400000111.4H83 Q136 V137H83-G112 WeakPolarHBondContact O-CA 3.48Å; G112-Q136 CarbonylContact O-C 3.44Å; G112-Q136 WeakPolarHBondContact O-CA 3.29Å; G112-V137 PolarHBondContact N-O 3.15Å; G112-V137 PolarHBondContact O-N 3.5Å
113K93.8Very high91.2Very high99 Ų9924.4 Ų24.443%0.4313%0.125SC..EExtended strand (participates in β ladder)trans-80.5128-178-170.4-179.1-178.31800110.8I82 H83 V115 S133I82-K113 WeakPolarHBondContact CA-O 3.23Å; H83-K113 HydrophobicContact CB-CB 4.46Å; H83-K113 PolarHBondContact N-O 3.3Å; K113-V115 HydrophobicContact CD-CG2 3.99Å; K113-V115 HydrophobicContact CG-CG2 3.95Å; K113-S133 WeakPolarHBondContact CE-OG 3.42Å
114L94.8Very high90.7Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-95121.517217565.8000109.8I82 L134 G135 V137 L385 L426I82-L114 HydrophobicContact CD1-CD1 4.4Å; I82-L114 HydrophobicContact CG1-CD1 3.59Å; L114-L134 HydrophobicContact CD2-CB 3.96Å; L114-L134 HydrophobicContact CD2-CD1 4.12Å; L114-L134 HydrophobicContact CG-CB 4.08Å; L114-L134 HydrophobicContact CG-CD1 4.31Å; L114-L134 PolarHBondContact O-N 3.09Å; L114-G135 PolarHBondContact N-O 2.64Å; L114-V137 HydrophobicContact CB-CG1 4.19Å; L114-V137 HydrophobicContact CB-CG2 4.38Å; L114-V137 HydrophobicContact CD2-CG1 4.12Å; L114-L385 HydrophobicContact CD2-CD1 4.08Å; L114-L426 HydrophobicContact CD2-CD2 3.93Å
115V94.1Very high90.5Very high9 Ų931.8 Ų31.86%0.05518%0.178CC..EExtended strand (participates in β ladder)trans-124.7132.5179.7-175.30000109A80 S81 K113 K131 Q132A80-V115 CarbonylContact C-O 3.34Å; A80-V115 WeakPolarHBondContact CA-O 3.26Å; S81-V115 PolarHBondContact N-O 2.78Å; S81-V115 PolarHBondContact O-N 2.83Å; K113-V115 HydrophobicContact CD-CG2 3.99Å; K113-V115 HydrophobicContact CG-CG2 3.95Å; V115-K131 HydrophobicContact CG1-CD 4.07Å; V115-K131 HydrophobicContact CG1-CG 3.49Å; V115-K131 VanDerWaalsContact CG1-CG 3.49Å; V115-Q132 WeakPolarHBondContact CA-O 3.42Å
116A93.9Very high90.4Very high0 Ų036.4 Ų36.40%021%0.206CC..EExtended strand (participates in β ladder)trans-127.5144.1177.900000111.2F77 E79 A80 Q132 L134F77-A116 HydrophobicContact CD1-CB 3.9Å; F77-A116 HydrophobicContact CE1-CB 3.91Å; E79-A116 CarbonylContact O-C 3.58Å; E79-A116 WeakPolarHBondContact O-CA 3.36Å; A80-A116 HydrophobicContact CB-CB 4.03Å; A116-Q132 PolarHBondContact N-O 2.88Å; A116-Q132 PolarHBondContact O-N 3.05Å; A116-L134 HydrophobicContact CB-CD1 3.57Å; A116-L134 HydrophobicContact CB-CG 4.03Å
117D94.4Very high90.4Very high36 Ų3638.9 Ų38.919%0.19322%0.218CC..EExtended strand (participates in β ladder)trans-97.9118.8176.5-71.3-10.3000108.3V78 E79 I129 K131V78-D117 PolarHBondContact N-O 3.35Å; E79-D117 PolarHBondContact O-N 3.47Å; D117-I129 HydrophobicContact CB-CG2 3.74Å; D117-K131 WeakPolarHBondContact OD1-CB 3.42Å; D117-K131 VanDerWaalsContact OD1-CG 3.23Å; D117-K131 WeakPolarHBondContact OD1-CG 3.39Å
118I93Very high90.4Very high1 Ų138.9 Ų38.91%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-113.4118.3-170.7-56.9167.8000108.5A76 F77 I129 I130 Q132 W392 L420A76-I118 CarbonylContact O-C 3.54Å; A76-I118 WeakPolarHBondContact O-CA 3.41Å; F77-I118 HydrophobicContact CD1-CG1 3.99Å; F77-I118 HydrophobicContact CE1-CD1 4.34Å; F77-I118 HydrophobicContact CE1-CG1 4.04Å; I118-I129 CarbonylContact O-C 3.6Å; I118-I129 WeakPolarHBondContact O-CA 3.33Å; I118-I130 PolarHBondContact N-O 3.16Å; I118-I130 PolarHBondContact O-N 3.22Å; I118-Q132 HydrophobicContact CD1-CB 3.73Å; I118-Q132 HydrophobicContact CD1-CG 4.27Å; I118-W392 HydrophobicContact CD1-CH2 3.17Å; I118-W392 HydrophobicContact CD1-CZ2 4.27Å; I118-W392 HydrophobicContact CD1-CZ3 3.42Å; I118-W392 VanDerWaalsContact CD1-CZ3 3.42Å; I118-W392 HydrophobicContact CG1-CZ3 4.44Å; I118-L420 HydrophobicContact CD1-CD1 4.4Å; I118-L420 HydrophobicContact CD1-CD2 4.17Å
119S92.6Very high90.6Very high38 Ų3843 Ų4327%0.26625%0.25SC..EExtended strand (participates in β ladder)trans-84.4142169.563.50000109.8A76A76-S119 PolarHBondContact N-O 2.9Å; A76-S119 PolarHBondContact O-N 3.04Å; A76-S119 PolarHBondContact O-OG 3.44Å
120W91.1Very high90.5Very high7 Ų743 Ų433%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-134.7140.5175.773.6-65.4000110.9T74 L75 I122 K127 G128 L411 T413 V416T74-W120 VanDerWaalsContact O-CA 3.28Å; T74-W120 WeakPolarHBondContact O-CA 3.24Å; L75-W120 HydrophobicContact CD2-CB 3.6Å; W120-I122 HydrophobicContact CE3-CG1 4.17Å; W120-I122 HydrophobicContact CH2-CD1 4.19Å; W120-I122 HydrophobicContact CZ3-CD1 3.64Å; W120-I122 HydrophobicContact CZ3-CG1 3.78Å; W120-K127 HydrophobicContact CD2-CB 3.95Å; W120-K127 VanDerWaalsContact CE2-CB 3.44Å; W120-K127 HydrophobicContact CE3-CB 4.34Å; W120-K127 HydrophobicContact CH2-CB 3.86Å; W120-K127 HydrophobicContact CH2-CG 4.12Å; W120-K127 HydrophobicContact CZ2-CB 3.39Å; W120-K127 HydrophobicContact CZ2-CG 4.16Å; W120-K127 HydrophobicContact CZ3-CB 4.31Å; W120-K127 HydrophobicContact CZ3-CG 4.4Å; W120-K127 PolarHBondContact O-N 2.87Å; W120-G128 VanDerWaalsContact CD1-O 3.3Å; W120-G128 PolarHBondContact N-O 3.43Å; W120-L411 HydrophobicContact CZ3-CB 4.29Å; W120-T413 HydrophobicContact CZ2-CG2 3.86Å; W120-V416 HydrophobicContact CD2-CG1 4.27Å; W120-V416 HydrophobicContact CD2-CG2 4.28Å; W120-V416 HydrophobicContact CE3-CG1 4.45Å; W120-V416 HydrophobicContact CE3-CG2 3.83Å; W120-V416 HydrophobicContact CG-CG1 4.48Å; W120-V416 HydrophobicContact CH2-CG2 3.82Å; W120-V416 HydrophobicContact CZ2-CG2 4.27Å; W120-V416 HydrophobicContact CZ3-CG2 3.57Å
121A89.6Confident90.3Very high15 Ų1549.5 Ų49.512%0.12428%0.277CS..EExtended strand (participates in β ladder)trans-133.3146.9179.800000110.8V73 T74 I125V73-A121 WeakPolarHBondContact CA-O 3.49Å; T74-A121 PolarHBondContact N-O 3.26Å; T74-A121 PolarHBondContact O-N 3.39Å; A121-I125 VanDerWaalsContact CA-O 3.24Å; A121-I125 WeakPolarHBondContact CA-O 3.33Å; A121-I125 WeakPolarHBondContact CB-O 3.04Å
122I86.6Confident90.2Very high27 Ų2748.7 Ų48.714%0.13827%0.274CS..EExtended strand (participates in β ladder)trans-117.3125.1173.1-54.7179.1000107.8N71 K72 W120 G124 I125 K127 L411N71-I122 HydrophobicContact CB-CG2 3.91Å; K72-I122 CarbonylContact O-C 3.48Å; K72-I122 WeakPolarHBondContact O-CA 3.49Å; W120-I122 HydrophobicContact CE3-CG1 4.17Å; W120-I122 HydrophobicContact CH2-CD1 4.19Å; W120-I122 HydrophobicContact CZ3-CD1 3.64Å; W120-I122 HydrophobicContact CZ3-CG1 3.78Å; I122-G124 PolarHBondContact O-N 2.77Å; I122-G124 VanDerWaalsContact O-N 3.15Å; I122-I125 PolarHBondContact N-O 3.15Å; I122-I125 PolarHBondContact O-N 3.37Å; I122-K127 HydrophobicContact CD1-CG 4.38Å; I122-K127 HydrophobicContact CG1-CG 4.27Å; I122-L411 HydrophobicContact CD1-CB 4.06Å
123N85.4Confident90Very high90 Ų9051 Ų5148%0.48129%0.29SS..THydrogen-bonded Turntrans51.237-179.3-59.3-26.2000112.7N71 K72 I125N71-N123 WeakPolarHBondContact CA-OD1 3.25Å; N71-N123 PolarHBondContact OD1-ND2 2.84Å; K72-N123 PolarHBondContact N-OD1 3.13Å; K72-N123 PolarHBondContact O-N 3.45Å; N123-I125 VanDerWaalsContact C-N 3.29Å; N123-I125 PolarHBondContact O-N 2.64Å
124G80.3Confident90Very high58 Ų5846.4 Ų46.460%0.59827%0.27SS*.THydrogen-bonded Turntrans82.3-5.9-178.300000115.4I122 P126I122-G124 PolarHBondContact O-N 2.77Å; I122-G124 VanDerWaalsContact O-N 3.15Å; G124-P126 WeakPolarHBondContact O-CD 3.32Å
125I86.4Confident89.8Confident104 Ų10447 Ų4753%0.53328%0.275SS..EExtended strand (participates in β ladder)trans-91.3116177.8-56.4171.4000109.3A121 I122 N123 K127A121-I125 VanDerWaalsContact CA-O 3.24Å; A121-I125 WeakPolarHBondContact CA-O 3.33Å; A121-I125 WeakPolarHBondContact CB-O 3.04Å; I122-I125 PolarHBondContact N-O 3.15Å; I122-I125 PolarHBondContact O-N 3.37Å; N123-I125 VanDerWaalsContact C-N 3.29Å; N123-I125 PolarHBondContact O-N 2.64Å; I125-K127 PolarHBondContact O-N 3.39Å
126P86.3Confident89.8Confident106 Ų10650 Ų5069%0.68829%0.289SS*.EExtended strand (participates in β ladder)trans-67.2131.3177.527.3-32.5000110.7G124G124-P126 WeakPolarHBondContact O-CD 3.32Å
127K84.6Confident89.9Confident111 Ų11150 Ų5048%0.48329%0.289SS..EExtended strand (participates in β ladder)trans-106.51-177.9-69.1-69.1-174.1176.70113.6W120 I122 I125W120-K127 HydrophobicContact CD2-CB 3.95Å; W120-K127 VanDerWaalsContact CE2-CB 3.44Å; W120-K127 HydrophobicContact CE3-CB 4.34Å; W120-K127 HydrophobicContact CH2-CB 3.86Å; W120-K127 HydrophobicContact CH2-CG 4.12Å; W120-K127 HydrophobicContact CZ2-CB 3.39Å; W120-K127 HydrophobicContact CZ2-CG 4.16Å; W120-K127 HydrophobicContact CZ3-CB 4.31Å; W120-K127 HydrophobicContact CZ3-CG 4.4Å; W120-K127 PolarHBondContact O-N 2.87Å; I122-K127 HydrophobicContact CD1-CG 4.38Å; I122-K127 HydrophobicContact CG1-CG 4.27Å; I125-K127 PolarHBondContact O-N 3.39Å
128G86.6Confident90Very high38 Ų3848.2 Ų48.239%0.39228%0.28SS..EExtended strand (participates in β ladder)trans127.7-175.2175.100000113.7W120W120-G128 VanDerWaalsContact CD1-O 3.3Å; W120-G128 PolarHBondContact N-O 3.43Å
129I91.4Very high90.2Very high106 Ų10648.2 Ų48.254%0.54428%0.279SS..EExtended strand (participates in β ladder)trans-116.6132.6178.7-60173.7000108.7V78 D117 I118V78-I129 HydrophobicContact CG2-CD1 4.29Å; V78-I129 HydrophobicContact CG2-CG1 4.46Å; D117-I129 HydrophobicContact CB-CG2 3.74Å; I118-I129 CarbonylContact O-C 3.6Å; I118-I129 WeakPolarHBondContact O-CA 3.33Å
130I90.9Very high90.4Very high9 Ų946.4 Ų46.45%0.04627%0.267CS..EExtended strand (participates in β ladder)trans-114.3123.9179.2-62.1171.1000109.1I118 Q132 V416 M417 L420I118-I130 PolarHBondContact N-O 3.16Å; I118-I130 PolarHBondContact O-N 3.22Å; I130-Q132 PolarHBondContact O-N 3.38Å; I130-V416 HydrophobicContact CD1-CB 4.17Å; I130-V416 HydrophobicContact CD1-CG1 3.69Å; I130-M417 HydrophobicContact CD1-CG 4.02Å; I130-M417 HydrophobicContact CG1-CE 4.34Å; I130-M417 HydrophobicContact CG1-CG 4.39Å; I130-M417 HydrophobicContact CG2-CE 4.46Å; I130-M417 HydrophobicContact CG2-CG 3.75Å; I130-L420 HydrophobicContact CB-CD1 4.1Å; I130-L420 HydrophobicContact CD1-CD1 3.82Å; I130-L420 HydrophobicContact CG2-CD1 3.89Å
131K91.9Very high90.7Very high138 Ų13846 Ų4660%0.627%0.266SS*.EExtended strand (participates in β ladder)trans-82.7111.2174.6-172.7156.7-168.5158.90110.4V115 D117V115-K131 HydrophobicContact CG1-CD 4.07Å; V115-K131 HydrophobicContact CG1-CG 3.49Å; V115-K131 VanDerWaalsContact CG1-CG 3.49Å; D117-K131 WeakPolarHBondContact OD1-CB 3.42Å; D117-K131 VanDerWaalsContact OD1-CG 3.23Å; D117-K131 WeakPolarHBondContact OD1-CG 3.39Å
132Q91.7Very high91Very high29 Ų2946.2 Ų46.214%0.13626%0.264CS..EExtended strand (participates in β ladder)trans-117.5134.8-174.6-176.757.146.200111.4V115 A116 I118 I130 L134 W392 L420V115-Q132 WeakPolarHBondContact CA-O 3.42Å; A116-Q132 PolarHBondContact N-O 2.88Å; A116-Q132 PolarHBondContact O-N 3.05Å; I118-Q132 HydrophobicContact CD1-CB 3.73Å; I118-Q132 HydrophobicContact CD1-CG 4.27Å; I130-Q132 PolarHBondContact O-N 3.38Å; Q132-L134 HydrophobicContact CG-CD2 4.13Å; Q132-W392 HydrophobicContact CG-CH2 4.34Å; Q132-W392 HydrophobicContact CG-CZ2 4.07Å; Q132-L420 HydrophobicContact CG-CB 4.3Å
133S91.4Very high91.5Very high49 Ų4945 Ų4534%0.34326%0.257SS..EExtended strand (participates in β ladder)trans-79.6124.3168.7-173.80000109.3K113K113-S133 WeakPolarHBondContact CE-OG 3.42Å
134L92.3Very high91.9Very high4 Ų446.5 Ų46.52%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-96.7-10.2-179.1-58.8-173.9000113.3F77 L114 A116 Q132 L389 W392 L426F77-L134 HydrophobicContact CE1-CD1 4.16Å; L114-L134 HydrophobicContact CD2-CB 3.96Å; L114-L134 HydrophobicContact CD2-CD1 4.12Å; L114-L134 HydrophobicContact CG-CB 4.08Å; L114-L134 HydrophobicContact CG-CD1 4.31Å; L114-L134 PolarHBondContact O-N 3.09Å; A116-L134 HydrophobicContact CB-CD1 3.57Å; A116-L134 HydrophobicContact CB-CG 4.03Å; Q132-L134 HydrophobicContact CG-CD2 4.13Å; L134-L389 HydrophobicContact CD1-CD2 3.41Å; L134-L389 VanDerWaalsContact CD1-CD2 3.41Å; L134-W392 HydrophobicContact CD2-CD2 3.84Å; L134-W392 VanDerWaalsContact CD2-CE2 3.42Å; L134-W392 HydrophobicContact CD2-CE3 4.26Å; L134-W392 HydrophobicContact CD2-CG 4.42Å; L134-W392 HydrophobicContact CD2-CH2 3.97Å; L134-W392 HydrophobicContact CD2-CZ2 3.51Å; L134-W392 HydrophobicContact CD2-CZ3 4.32Å; L134-L426 HydrophobicContact CB-CD1 4.26Å; L134-L426 WeakPolarHBondContact O-CD1 3.43Å; L134-L426 PolarHBondContact O-N 3.27Å; L134-L426 VanDerWaalsContact O-N 3.14Å
135G91.9Very high92.7Very high11 Ų1145.4 Ų45.411%0.11324%0.24CC..EExtended strand (participates in β ladder)trans137.1-163.2179.100000111.8L114 D425L114-G135 PolarHBondContact N-O 2.64Å; G135-D425 WeakPolarHBondContact CA-OD1 3.49Å
136Q93.3Very high93.2Very high72 Ų7240.8 Ų40.834%0.33622%0.216SC..EExtended strand (participates in β ladder)trans-115.9130.8173.3-65.4-178-2000109.9K111 G112 T427K111-Q136 HydrophobicContact CB-CB 4.01Å; K111-Q136 HydrophobicContact CD-CB 4.28Å; G112-Q136 CarbonylContact O-C 3.44Å; G112-Q136 WeakPolarHBondContact O-CA 3.29Å; Q136-T427 HydrophobicContact CB-CG2 4.3Å; Q136-T427 PolarHBondContact N-OG1 3.25Å; Q136-T427 VanDerWaalsContact O-CA 3.26Å; Q136-T427 WeakPolarHBondContact O-CA 3.41Å; Q136-T427 WeakPolarHBondContact O-CB 3.38Å; Q136-T427 WeakPolarHBondContact O-CG2 3.46Å; Q136-T427 PolarHBondContact O-OG1 3.47Å
137V95.5Very high93.6Very high0 Ų036.6 Ų36.60%019%0.188CC..EExtended strand (participates in β ladder)trans-113.5141.9180-620000110.6I82 K111 G112 L114 Y381 F430I82-V137 HydrophobicContact CD1-CG2 4.03Å; I82-V137 HydrophobicContact CG1-CG2 4.18Å; I82-V137 HydrophobicContact CG2-CG2 3.78Å; K111-V137 WeakPolarHBondContact CA-O 3.34Å; G112-V137 PolarHBondContact N-O 3.15Å; G112-V137 PolarHBondContact O-N 3.5Å; L114-V137 HydrophobicContact CB-CG1 4.19Å; L114-V137 HydrophobicContact CB-CG2 4.38Å; L114-V137 HydrophobicContact CD2-CG1 4.12Å; V137-Y381 VanDerWaalsContact CB-OH 3.28Å; V137-Y381 WeakPolarHBondContact CB-OH 3.42Å; V137-Y381 WeakPolarHBondContact CG2-OH 3.26Å; V137-F430 HydrophobicContact CG1-CD2 4.11Å; V137-F430 HydrophobicContact CG1-CE2 4.24Å; V137-F430 HydrophobicContact CG1-CG 4.47Å
138P96.7Very high94.2Very high0 Ų031.3 Ų31.30%017%0.165CC..EExtended strand (participates in β ladder)trans-63.2138.9178.9-27.339.6000112.3Y110 K111 F170 M172 Y381 F430 L434Y110-P138 WeakPolarHBondContact O-CA 3.48Å; K111-P138 HydrophobicContact CG-CG 4.37Å; P138-F170 HydrophobicContact CB-CD1 3.98Å; P138-M172 HydrophobicContact CB-SD 3.84Å; P138-M172 HydrophobicContact CG-CE 3.95Å; P138-M172 HydrophobicContact CG-SD 3.78Å; P138-Y381 PolarHBondContact O-OH 3.3Å; P138-F430 HydrophobicContact CG-CB 4.36Å; P138-L434 HydrophobicContact CB-CD1 3.66Å; P138-L434 HydrophobicContact CG-CD1 3.81Å
139I97.3Very high94.6Very high0 Ų034.2 Ų34.20%017%0.169CC..  trans-106.3135.8-178.3-57.2-59.5000109.7I82 P85 Y110 L145 C146I82-I139 HydrophobicContact CG2-CD1 3.54Å; P85-I139 HydrophobicContact CG-CB 4.13Å; P85-I139 HydrophobicContact CG-CG1 3.78Å; Y110-I139 HydrophobicContact CD1-CB 4.02Å; Y110-I139 WeakPolarHBondContact CD1-O 3.46Å; Y110-I139 HydrophobicContact CE1-CB 4Å; Y110-I139 HydrophobicContact CE1-CG2 4.07Å; Y110-I139 PolarHBondContact O-N 2.96Å; I139-L145 HydrophobicContact CD1-CB 4.44Å; I139-L145 HydrophobicContact CD1-CD1 4.24Å; I139-L145 HydrophobicContact CG2-CB 3.95Å; I139-C146 HydrophobicContact CG2-CB 4.39Å
140M97.7Very high94.6Very high0 Ų032.6 Ų32.60%018%0.178CC..  trans-73.2132.2176.1-175.1178.8-75.300110.5H42 I43 F46 S143 Y169 F170 P377H42-M140 HydrophobicContact CB-CE 4.37Å; H42-M140 HydrophobicContact CB-SD 4.27Å; H42-M140 VanDerWaalsContact O-SD 3.33Å; I43-M140 HydrophobicContact CG1-SD 4.38Å; F46-M140 HydrophobicContact CB-CB 4.39Å; F46-M140 HydrophobicContact CB-CE 3.8Å; F46-M140 HydrophobicContact CB-SD 3.64Å; F46-M140 HydrophobicContact CD1-CB 3.68Å; F46-M140 HydrophobicContact CD2-CB 4.09Å; F46-M140 HydrophobicContact CD2-CE 4.19Å; F46-M140 HydrophobicContact CE1-CB 3.87Å; F46-M140 HydrophobicContact CE2-CB 4.28Å; F46-M140 HydrophobicContact CG-CB 3.78Å; F46-M140 HydrophobicContact CG-CE 4.13Å; F46-M140 HydrophobicContact CG-SD 4.08Å; F46-M140 HydrophobicContact CZ-CB 4.16Å; M140-S143 VanDerWaalsContact O-CB 3.28Å; M140-S143 WeakPolarHBondContact O-CB 3.31Å; M140-S143 PolarHBondContact O-N 3.34Å; M140-S143 PolarHBondContact O-OG 3.48Å; M140-Y169 WeakPolarHBondContact CA-O 3.21Å; M140-F170 HydrophobicContact CB-CD1 4.35Å; M140-F170 HydrophobicContact CB-CE1 3.83Å; M140-F170 HydrophobicContact CB-CZ 3.97Å; M140-F170 HydrophobicContact CE-CE2 3.65Å; M140-F170 HydrophobicContact CE-CZ 3.72Å; M140-P377 HydrophobicContact CE-CB 4.11Å
141V97.3Very high94.8Very high0 Ų033.9 Ų33.90%019%0.185CC..THydrogen-bonded Turntrans-64.2139179.2-1790000110.3P100 S143 L148 G167 G168 Y169 I171P100-V141 HydrophobicContact CB-CG2 4.27Å; P100-V141 HydrophobicContact CG-CG1 4.25Å; P100-V141 HydrophobicContact CG-CG2 4.32Å; V141-S143 PolarHBondContact O-N 3.34Å; V141-L148 HydrophobicContact CG1-CD1 3.95Å; V141-G167 WeakPolarHBondContact O-CA 3.37Å; V141-G168 PolarHBondContact O-N 2.88Å; V141-Y169 HydrophobicContact CB-CE1 4.28Å; V141-Y169 HydrophobicContact CB-CE2 4.14Å; V141-Y169 HydrophobicContact CG1-CE1 4.4Å; V141-Y169 HydrophobicContact CG1-CE2 4.49Å; V141-Y169 HydrophobicContact CG2-CD2 4.14Å; V141-Y169 HydrophobicContact CG2-CE2 3.74Å; V141-Y169 PolarHBondContact N-O 3.44Å; V141-I171 HydrophobicContact CG2-CD1 4.02Å; V141-I171 HydrophobicContact CG2-CG1 4.2Å
142K95.9Very high94.9Very high19 Ų1928.8 Ų28.88%0.08317%0.167CC..THydrogen-bonded Turntrans64.41.6-173.2-60.4-86.9-74.3-173.10116.5Q31 I43 C146 L148 E165Q31-K142 VanDerWaalsContact CD-NZ 3.34Å; I43-K142 HydrophobicContact CD1-CB 3.98Å; K142-C146 PolarHBondContact N-SG 3Å; K142-C146 VanDerWaalsContact N-SG 3.42Å; K142-L148 HydrophobicContact CD-CB 4.07Å; K142-E165 HydrophobicContact CD-CG 4.42Å; K142-E165 WeakPolarHBondContact CE-O 3.48Å; K142-E165 HydrophobicContact CG-CG 4.3Å
143S96.4Very high95Very high0 Ų027.5 Ų27.50%016%0.16CC..SBendtrans-65.7165.2168.270.40000112.1N47 M140 V141 L145 C146 H149N47-S143 WeakPolarHBondContact OD1-CA 3.46Å; N47-S143 WeakPolarHBondContact OD1-CB 3.47Å; M140-S143 VanDerWaalsContact O-CB 3.28Å; M140-S143 WeakPolarHBondContact O-CB 3.31Å; M140-S143 PolarHBondContact O-N 3.34Å; M140-S143 PolarHBondContact O-OG 3.48Å; V141-S143 PolarHBondContact O-N 3.34Å; S143-L145 PolarHBondContact O-N 2.9Å; S143-C146 VanDerWaalsContact O-CB 3.25Å; S143-C146 WeakPolarHBondContact O-CB 3.23Å; S143-C146 PolarHBondContact O-N 3.47Å; S143-H149 WeakPolarHBondContact O-CB 3.4Å
144K95.3Very high95.2Very high123 Ų12330.2 Ų30.254%0.53517%0.166SC..THydrogen-bonded Turntrans-54.9-26.5178-74.2178.6-179.2-177.80113.9N47N47-K144 HydrophobicContact CB-CD 4.22Å; N47-K144 HydrophobicContact CB-CG 4.44Å; N47-K144 PolarHBondContact OD1-N 2.86Å
145L95.3Very high95.3Very high35 Ų3534.2 Ų34.218%0.18319%0.185CC..THydrogen-bonded Turntrans-89.5-8.2177.8-64.6179.9000113.5V50 I82 N84 P85 I139 S143V50-L145 HydrophobicContact CB-CD1 3.81Å; V50-L145 HydrophobicContact CG1-CD1 4.13Å; V50-L145 HydrophobicContact CG2-CD1 3.67Å; V50-L145 HydrophobicContact CG2-CG 4.07Å; I82-L145 HydrophobicContact CB-CD1 3.85Å; I82-L145 HydrophobicContact CG2-CD1 3.78Å; I82-L145 WeakPolarHBondContact O-CD2 3.5Å; N84-L145 WeakPolarHBondContact CA-O 3.46Å; N84-L145 VanDerWaalsContact CB-O 3.31Å; N84-L145 WeakPolarHBondContact CB-O 3.44Å; P85-L145 WeakPolarHBondContact CD-O 3.18Å; I139-L145 HydrophobicContact CD1-CB 4.44Å; I139-L145 HydrophobicContact CD1-CD1 4.24Å; I139-L145 HydrophobicContact CG2-CB 3.95Å; S143-L145 PolarHBondContact O-N 2.9Å
146C96.7Very high95.4Very high6 Ų633.7 Ų33.74%0.04118%0.179CC..SBendtrans-81.6141.9177.2-177.80000110.5Y110 I139 K142 S143 L148 H149Y110-C146 HydrophobicContact CE1-CB 4.35Å; Y110-C146 PolarHBondContact OH-SG 3.39Å; I139-C146 HydrophobicContact CG2-CB 4.39Å; K142-C146 PolarHBondContact N-SG 3Å; K142-C146 VanDerWaalsContact N-SG 3.42Å; S143-C146 VanDerWaalsContact O-CB 3.25Å; S143-C146 WeakPolarHBondContact O-CB 3.23Å; S143-C146 PolarHBondContact O-N 3.47Å; C146-L148 PolarHBondContact O-N 3.08Å; C146-L148 VanDerWaalsContact O-N 3.1Å; C146-L148 PolarHBondContact SG-N 3.37Å; C146-H149 WeakPolarHBondContact O-CB 3.19Å; C146-H149 PolarHBondContact O-N 3Å; C146-H149 VanDerWaalsContact O-N 3.1Å
147N96.4Very high95.5Very high18 Ų1833.3 Ų33.310%0.09618%0.182CC..THydrogen-bonded Turntrans-68.5-7.3177.4-65.6-36.1000113.6N84 P85 V98 Y99 Y110N84-N147 PolarHBondContact ND2-OD1 2.89Å; P85-N147 PolarHBondContact O-ND2 3.24Å; V98-N147 PolarHBondContact O-ND2 3.32Å; Y99-N147 HydrophobicContact CD1-CB 4.2Å; Y99-N147 HydrophobicContact CE1-CB 4.05Å; Y110-N147 PolarHBondContact OH-N 3.13Å; Y110-N147 VanDerWaalsContact OH-N 3.1Å
148L95.8Very high95.4Very high0 Ų041.1 Ų41.10%022%0.216CC..THydrogen-bonded Turntrans-89.7-4.5173.5-58-175.2000114Y99 P100 V141 K142 C146 G150 L151 L156 E161 E165Y99-L148 HydrophobicContact CD1-CD2 3.73Å; Y99-L148 HydrophobicContact CE1-CD2 4.27Å; P100-L148 HydrophobicContact CB-CD1 4.39Å; P100-L148 HydrophobicContact CG-CD1 3.64Å; P100-L148 HydrophobicContact CG-CG 3.88Å; V141-L148 HydrophobicContact CG1-CD1 3.95Å; K142-L148 HydrophobicContact CD-CB 4.07Å; C146-L148 PolarHBondContact O-N 3.08Å; C146-L148 VanDerWaalsContact O-N 3.1Å; C146-L148 PolarHBondContact SG-N 3.37Å; L148-G150 PolarHBondContact O-N 2.81Å; L148-L151 HydrophobicContact CD2-CD1 3.98Å; L148-L151 PolarHBondContact O-N 3.42Å; L148-L156 HydrophobicContact CB-CD2 4.19Å; L148-L156 HydrophobicContact CD1-CD2 4.46Å; L148-L156 HydrophobicContact CD2-CD2 4.03Å; L148-L156 HydrophobicContact CG-CD2 4.46Å; L148-E161 HydrophobicContact CD1-CG 3.76Å; L148-E161 HydrophobicContact CD2-CG 3.91Å; L148-E165 HydrophobicContact CD1-CG 4.43Å
149H95Very high95.2Very high100 Ų10042.8 Ų42.846%0.46322%0.224SC..THydrogen-bonded Turntrans-67127.1-177.3-178.6-90.5000111.4S143 C146 L151S143-H149 WeakPolarHBondContact O-CB 3.4Å; C146-H149 WeakPolarHBondContact O-CB 3.19Å; C146-H149 PolarHBondContact O-N 3Å; C146-H149 VanDerWaalsContact O-N 3.1Å; H149-L151 VanDerWaalsContact C-N 3.28Å; H149-L151 PolarHBondContact O-N 2.79Å
150G91.7Very high95.1Very high72 Ų7247.7 Ų47.774%0.74225%0.246SC*.THydrogen-bonded Turntrans781.9177.900000115.7L148L148-G150 PolarHBondContact O-N 2.81Å
151L94.5Very high94.9Very high35 Ų3547.9 Ų47.918%0.18325%0.247CC..  trans-72.2140.8175.6-63.5-174.2000111.8Y99 L148 H149 E155 L156Y99-L151 HydrophobicContact CE1-CD1 4.36Å; L148-L151 HydrophobicContact CD2-CD1 3.98Å; L148-L151 PolarHBondContact O-N 3.42Å; H149-L151 VanDerWaalsContact C-N 3.28Å; H149-L151 PolarHBondContact O-N 2.79Å; L151-E155 HydrophobicContact CB-CB 4.13Å; L151-E155 HydrophobicContact CD2-CB 4.27Å; L151-L156 HydrophobicContact CB-CD2 3.95Å; L151-L156 HydrophobicContact CB-CG 4.09Å; L151-L156 HydrophobicContact CD1-CD2 4.25Å
152S94.9Very high94.7Very high32 Ų3248.2 Ų48.222%0.22425%0.249CC..  trans-71.9160.2171.964.60000111.8K154 E155 L156S152-K154 PolarHBondContact O-N 3.1Å; S152-E155 WeakPolarHBondContact CB-OE2 3.02Å; S152-E155 PolarHBondContact N-OE2 3.39Å; S152-E155 PolarHBondContact O-N 3.01Å; S152-E155 VanDerWaalsContact OG-CD 3.27Å; S152-E155 WeakPolarHBondContact OG-CG 3.34Å; S152-E155 PolarHBondContact OG-N 2.82Å; S152-E155 PolarHBondContact OG-OE2 3.41Å; S152-L156 WeakPolarHBondContact O-CG 3.38Å; S152-L156 PolarHBondContact O-N 3.21Å
153P94.3Very high94.6Very high1 Ų148.3 Ų48.31%0.00625%0.253CS..Hα-helixtrans-54.7-35.7176.5-27.136000114K28 D29 Q31 L156 V157 A163K28-P153 WeakPolarHBondContact O-CB 3.49Å; K28-P153 VanDerWaalsContact O-CG 3.24Å; K28-P153 WeakPolarHBondContact O-CG 3.25Å; D29-P153 VanDerWaalsContact O-CD 3.29Å; D29-P153 WeakPolarHBondContact O-CD 3.35Å; Q31-P153 HydrophobicContact CG-CG 3.81Å; P153-L156 PolarHBondContact O-N 3.45Å; P153-V157 WeakPolarHBondContact O-CG2 3.47Å; P153-V157 PolarHBondContact O-N 3.1Å; P153-V157 VanDerWaalsContact O-N 3.11Å; P153-A163 HydrophobicContact CB-CB 4.27Å
154K94.4Very high94.4Very high107 Ų10749.1 Ų49.147%0.46526%0.257SS..Hα-helixtrans-65.4-42.1176.5-70.1171.5-179.2157.40112L27 D29 S152 K158L27-K154 HydrophobicContact CB-CG 3.88Å; L27-K154 HydrophobicContact CD1-CG 4.11Å; D29-K154 IonicContact OD1-NZ 3.49Å; D29-K154 PolarHBondContact OD1-NZ 2.88Å; S152-K154 PolarHBondContact O-N 3.1Å; K154-K158 PolarHBondContact O-N 3.06Å
155E94.5Very high94.3Very high87 Ų8743.4 Ų43.441%0.40723%0.232SC..Hα-helixtrans-71.2-37.1177.2-68.5163.8144.500111.9L151 S152 K158 H159L151-E155 HydrophobicContact CB-CB 4.13Å; L151-E155 HydrophobicContact CD2-CB 4.27Å; S152-E155 WeakPolarHBondContact CB-OE2 3.02Å; S152-E155 PolarHBondContact N-OE2 3.39Å; S152-E155 PolarHBondContact O-N 3.01Å; S152-E155 VanDerWaalsContact OG-CD 3.27Å; S152-E155 WeakPolarHBondContact OG-CG 3.34Å; S152-E155 PolarHBondContact OG-N 2.82Å; S152-E155 PolarHBondContact OG-OE2 3.41Å; E155-K158 WeakPolarHBondContact O-CB 3.45Å; E155-K158 PolarHBondContact O-N 3.2Å; E155-H159 PolarHBondContact O-CD2 3.34Å; E155-H159 PolarHBondContact O-N 2.78Å
156L95.2Very high94.2Very high0 Ų041.9 Ų41.90%022%0.224CC..Hα-helixtrans-58.7-48.7174.5-70.9172.7000111.2Q31 L148 L151 S152 P153 K158 H159 H160 E161Q31-L156 HydrophobicContact CG-CD1 4.4Å; Q31-L156 VanDerWaalsContact NE2-CD1 3.27Å; L148-L156 HydrophobicContact CB-CD2 4.19Å; L148-L156 HydrophobicContact CD1-CD2 4.46Å; L148-L156 HydrophobicContact CD2-CD2 4.03Å; L148-L156 HydrophobicContact CG-CD2 4.46Å; L151-L156 HydrophobicContact CB-CD2 3.95Å; L151-L156 HydrophobicContact CB-CG 4.09Å; L151-L156 HydrophobicContact CD1-CD2 4.25Å; S152-L156 WeakPolarHBondContact O-CG 3.38Å; S152-L156 PolarHBondContact O-N 3.21Å; P153-L156 PolarHBondContact O-N 3.45Å; L156-K158 VanDerWaalsContact C-N 3.32Å; L156-K158 PolarHBondContact O-N 3.17Å; L156-H159 CarbonylContact O-C 3.58Å; L156-H159 WeakPolarHBondContact O-CA 3.28Å; L156-H159 PolarHBondContact O-N 2.82Å; L156-H159 VanDerWaalsContact O-N 3.07Å; L156-H160 PolarHBondContact O-N 3.03Å; L156-E161 HydrophobicContact CB-CB 4.29Å; L156-E161 HydrophobicContact CD2-CB 4.44Å; L156-E161 WeakPolarHBondContact O-CB 3.47Å; L156-E161 PolarHBondContact O-N 2.91Å
157V94.5Very high94.1Very high65 Ų6541.6 Ų41.639%0.39422%0.222SC..Hα-helixtrans-63.5-38.7177.1173.30000111.4L27 P153 H159 H160 A163L27-V157 HydrophobicContact CD1-CB 4.02Å; L27-V157 HydrophobicContact CD1-CG1 4.33Å; L27-V157 HydrophobicContact CD1-CG2 3.83Å; L27-V157 HydrophobicContact CD2-CG2 4.1Å; P153-V157 WeakPolarHBondContact O-CG2 3.47Å; P153-V157 PolarHBondContact O-N 3.1Å; P153-V157 VanDerWaalsContact O-N 3.11Å; V157-H159 PolarHBondContact O-N 3.05Å; V157-H160 PolarHBondContact O-N 3.42Å; V157-A163 HydrophobicContact CG2-CB 4.04Å
158K93.6Very high94.1Very high164 Ų16440.8 Ų40.871%0.71322%0.218SC*.Hα-helixtrans-59.3-32.4173.9-174-176.7177.2-173.50112.4K154 E155 L156 H160K154-K158 PolarHBondContact O-N 3.06Å; E155-K158 WeakPolarHBondContact O-CB 3.45Å; E155-K158 PolarHBondContact O-N 3.2Å; L156-K158 VanDerWaalsContact C-N 3.32Å; L156-K158 PolarHBondContact O-N 3.17Å; K158-H160 VanDerWaalsContact C-N 3.33Å
159H93.4Very high94.1Very high35 Ų3540.8 Ų40.816%0.16222%0.218CC..THydrogen-bonded Turntrans-93.922.2176-69-68.1000113.5Y99 E155 L156 V157 E161Y99-H159 HydrophobicContact CD1-CB 4.15Å; Y99-H159 AromaticContact CD2-ND1 3.97Å; Y99-H159 HydrophobicContact CE1-CB 4.35Å; Y99-H159 AromaticContact CE1-CD2 3.9Å; Y99-H159 AromaticContact CE1-CE1 3.88Å; Y99-H159 AromaticContact CE1-CG 3.78Å; Y99-H159 AromaticContact CE1-ND1 3.77Å; Y99-H159 AromaticContact CE1-NE2 3.96Å; Y99-H159 AromaticContact CE2-CE1 3.64Å; Y99-H159 AromaticContact CE2-ND1 3.63Å; Y99-H159 AromaticContact CZ-CE1 3.32Å; Y99-H159 AromaticContact CZ-CG 4Å; Y99-H159 AromaticContact CZ-ND1 3.51Å; Y99-H159 AromaticContact CZ-NE2 3.68Å; Y99-H159 PolarHBondContact OH-CE1 2.74Å; Y99-H159 VanDerWaalsContact OH-CE1 3.22Å; Y99-H159 PolarHBondContact OH-NE2 3.22Å; E155-H159 PolarHBondContact O-CD2 3.34Å; E155-H159 PolarHBondContact O-N 2.78Å; L156-H159 CarbonylContact O-C 3.58Å; L156-H159 WeakPolarHBondContact O-CA 3.28Å; L156-H159 PolarHBondContact O-N 2.82Å; L156-H159 VanDerWaalsContact O-N 3.07Å; V157-H159 PolarHBondContact O-N 3.05Å; H159-E161 VanDerWaalsContact C-N 3.29Å; H159-E161 PolarHBondContact O-N 3.4Å
160H93.6Very high94.3Very high102 Ų10236 Ų3647%0.47220%0.196SC..THydrogen-bonded Turntrans62.927.6175.7-53.6-81.2000115A101 L156 V157 K158 D705A101-H160 HydrophobicContact CB-CB 3.98Å; L156-H160 PolarHBondContact O-N 3.03Å; V157-H160 PolarHBondContact O-N 3.42Å; K158-H160 VanDerWaalsContact C-N 3.33Å; H160-D705 HydrophobicContact CB-CB 4.16Å; H160-D705 IonicContact CE1-OD2 3.98Å; H160-D705 IonicContact CG-OD2 2.83Å; H160-D705 IonicContact ND1-OD2 2.72Å; H160-D705 PolarHBondContact ND1-OD2 2.87Å
161E95.1Very high94.5Very high5 Ų532.6 Ų32.62%0.02316%0.161CC..  trans-106.8164.4173.9-59-69.7166.900111.3P100 A101 R104 L148 L156 H159P100-E161 WeakPolarHBondContact CB-OE1 3.5Å; A101-E161 WeakPolarHBondContact CA-OE1 3.47Å; A101-E161 WeakPolarHBondContact CB-OE1 3.27Å; A101-E161 PolarHBondContact N-OE1 2.84Å; R104-E161 IonicContact CZ-OE1 2.75Å; R104-E161 IonicContact CZ-OE2 3.93Å; R104-E161 VanDerWaalsContact CZ-OE2 3.28Å; R104-E161 VanDerWaalsContact NH1-CD 3.27Å; R104-E161 IonicContact NH1-OE1 3.02Å; R104-E161 PolarHBondContact NH1-OE1 3.44Å; R104-E161 IonicContact NH1-OE2 2.89Å; R104-E161 PolarHBondContact NH1-OE2 3.07Å; R104-E161 IonicContact NH2-OE1 3.31Å; R104-E161 IonicContact NH2-OE2 2.8Å; R104-E161 PolarHBondContact NH2-OE2 3.11Å; L148-E161 HydrophobicContact CD1-CG 3.76Å; L148-E161 HydrophobicContact CD2-CG 3.91Å; L156-E161 HydrophobicContact CB-CB 4.29Å; L156-E161 HydrophobicContact CD2-CB 4.44Å; L156-E161 WeakPolarHBondContact O-CB 3.47Å; L156-E161 PolarHBondContact O-N 2.91Å; H159-E161 VanDerWaalsContact C-N 3.29Å; H159-E161 PolarHBondContact O-N 3.4Å
162E92.7Very high94.5Very high6 Ų631.1 Ų31.13%0.02815%0.153CC..  trans-65.9140.4173.3-72.785.7139.400111.6E164 E165 K459 L700 S702 R706E162-E164 PolarHBondContact O-N 3.3Å; E162-E165 HydrophobicContact CB-CB 4.25Å; E162-E165 VanDerWaalsContact O-CB 3.26Å; E162-E165 WeakPolarHBondContact O-CB 3.4Å; E162-E165 PolarHBondContact O-N 2.94Å; E162-K459 IonicContact OE1-NZ 2.92Å; E162-K459 PolarHBondContact OE1-NZ 2.67Å; E162-L700 HydrophobicContact CG-CB 4.4Å; E162-L700 WeakPolarHBondContact OE1-CB 3.25Å; E162-S702 PolarHBondContact OE1-OG 2.86Å; E162-S702 PolarHBondContact OE2-OG 2.73Å; E162-R706 IonicContact OE1-NH1 3.75Å
163A92.6Very high94.3Very high22 Ų2233.9 Ų33.918%0.18217%0.165CC..THydrogen-bonded Turntrans-55.6-39.3177.400000112.5L27 Q31 P153 V157L27-A163 HydrophobicContact CD2-CB 3.66Å; Q31-A163 PolarHBondContact NE2-O 2.75Å; Q31-A163 VanDerWaalsContact NE2-O 3.13Å; P153-A163 HydrophobicContact CB-CB 4.27Å; V157-A163 HydrophobicContact CG2-CB 4.04Å
164E92.3Very high94.1Very high16 Ų1634.1 Ų34.18%0.07517%0.168CC..THydrogen-bonded Turntrans-103.132.9176.7-64.2-64.4166.200112Q31 H32 E162 M166Q31-E164 WeakPolarHBondContact CB-OE2 3.34Å; H32-E164 PolarHBondContact N-OE1 3.27Å; H32-E164 PolarHBondContact N-OE2 2.92Å; E162-E164 PolarHBondContact O-N 3.3Å; E164-M166 WeakPolarHBondContact O-CG 3.21Å; E164-M166 PolarHBondContact O-N 3.24Å; E164-M166 VanDerWaalsContact O-N 3.15Å
165E94.3Very high94Very high3 Ų331.7 Ų31.71%0.01416%0.16CC..  trans-53.9121.7177.1177.152.8-128.700110.9Q31 Q36 K142 L148 E162 G167 Y169Q31-E165 PolarHBondContact NE2-O 3.43Å; Q31-E165 VanDerWaalsContact NE2-O 3.07Å; Q36-E165 PolarHBondContact NE2-O 2.91Å; Q36-E165 PolarHBondContact OE1-O 3.07Å; K142-E165 HydrophobicContact CD-CG 4.42Å; K142-E165 WeakPolarHBondContact CE-O 3.48Å; K142-E165 HydrophobicContact CG-CG 4.3Å; L148-E165 HydrophobicContact CD1-CG 4.43Å; E162-E165 HydrophobicContact CB-CB 4.25Å; E162-E165 VanDerWaalsContact O-CB 3.26Å; E162-E165 WeakPolarHBondContact O-CB 3.4Å; E162-E165 PolarHBondContact O-N 2.94Å; E165-G167 PolarHBondContact OE1-N 3.32Å; E165-Y169 VanDerWaalsContact CD-OH 3.24Å; E165-Y169 VanDerWaalsContact OE1-CE1 3.22Å; E165-Y169 WeakPolarHBondContact OE1-CE1 3.42Å; E165-Y169 PolarHBondContact OE1-OH 3.31Å; E165-Y169 PolarHBondContact OE2-OH 3.38Å
166M93Very high94.1Very high3 Ų327.8 Ų27.82%0.01514%0.141CC..  trans-93.5-27.1-169-55.3171.270.900113.1V35 L38 T39 I43 E164 F462 Y465V35-M166 HydrophobicContact CG1-CE 3.93Å; V35-M166 HydrophobicContact CG1-CG 3.7Å; V35-M166 HydrophobicContact CG1-SD 3.89Å; V35-M166 VanDerWaalsContact O-CE 3.26Å; V35-M166 WeakPolarHBondContact O-CE 3.44Å; L38-M166 HydrophobicContact CB-CE 3.56Å; L38-M166 HydrophobicContact CD1-CE 3.69Å; L38-M166 HydrophobicContact CG-CE 4.17Å; T39-M166 HydrophobicContact CG2-CB 3.8Å; T39-M166 HydrophobicContact CG2-CE 3.99Å; T39-M166 PolarHBondContact OG1-O 3.35Å; I43-M166 VanDerWaalsContact CD1-O 3.25Å; I43-M166 WeakPolarHBondContact CD1-O 3.34Å; E164-M166 WeakPolarHBondContact O-CG 3.21Å; E164-M166 PolarHBondContact O-N 3.24Å; E164-M166 VanDerWaalsContact O-N 3.15Å; M166-F462 HydrophobicContact SD-CE2 3.79Å; M166-F462 HydrophobicContact SD-CZ 3.73Å; M166-Y465 HydrophobicContact SD-CD1 4.3Å; M166-Y465 HydrophobicContact SD-CE1 4.14Å
167G94.6Very high94.2Very high0 Ų029.2 Ų29.20%015%0.148CC..  trans62.7-156.4-174.300000114.9T39 V141 E165 Y169T39-G167 VanDerWaalsContact CG2-O 3.29Å; T39-G167 WeakPolarHBondContact CG2-O 3.34Å; V141-G167 WeakPolarHBondContact O-CA 3.37Å; E165-G167 PolarHBondContact OE1-N 3.32Å; G167-Y169 WeakPolarHBondContact O-CD1 3.36Å
168G95.4Very high94.2Very high1 Ų126.2 Ų26.21%0.0113%0.13CC..  trans87.56.4-179.600000115.4V141V141-G168 PolarHBondContact O-N 2.88Å
169Y97.2Very high94.3Very high0 Ų018.8 Ų18.80%010%0.098CC..  trans-127.5170.2178.258.8-84000111.1R104 M140 V141 E165 G167 I171 E176 K177 Y465 F469R104-Y169 PolarHBondContact NH2-OH 2.93Å; M140-Y169 WeakPolarHBondContact CA-O 3.21Å; V141-Y169 HydrophobicContact CB-CE1 4.28Å; V141-Y169 HydrophobicContact CB-CE2 4.14Å; V141-Y169 HydrophobicContact CG1-CE1 4.4Å; V141-Y169 HydrophobicContact CG1-CE2 4.49Å; V141-Y169 HydrophobicContact CG2-CD2 4.14Å; V141-Y169 HydrophobicContact CG2-CE2 3.74Å; V141-Y169 PolarHBondContact N-O 3.44Å; E165-Y169 VanDerWaalsContact CD-OH 3.24Å; E165-Y169 VanDerWaalsContact OE1-CE1 3.22Å; E165-Y169 WeakPolarHBondContact OE1-CE1 3.42Å; E165-Y169 PolarHBondContact OE1-OH 3.31Å; E165-Y169 PolarHBondContact OE2-OH 3.38Å; G167-Y169 WeakPolarHBondContact O-CD1 3.36Å; Y169-I171 HydrophobicContact CD2-CG1 4.35Å; Y169-I171 HydrophobicContact CE2-CD1 4.45Å; Y169-I171 HydrophobicContact CE2-CG1 4.08Å; Y169-E176 HydrophobicContact CD2-CB 3.84Å; Y169-E176 HydrophobicContact CD2-CG 3.74Å; Y169-E176 HydrophobicContact CE2-CB 4.22Å; Y169-E176 VanDerWaalsContact CE2-CD 3.45Å; Y169-E176 HydrophobicContact CE2-CG 3.58Å; Y169-K177 WeakPolarHBondContact CB-O 3.14Å; Y169-Y465 WeakPolarHBondContact CD1-OH 3.42Å; Y169-Y465 WeakPolarHBondContact CE1-OH 3.26Å; Y169-F469 HydrophobicContact CD1-CE1 4.28Å; Y169-F469 AromaticContact CD1-CZ 3.89Å; Y169-F469 HydrophobicContact CD1-CZ 3.89Å
170F97.6Very high94.3Very high1 Ų119.8 Ų19.80%0.00410%0.1CC..EExtended strand (participates in β ladder)trans-110.4152.4175.1-61.3-87.8000110.2F46 P138 M140 M172 E176 K177 V179 Y381 L434F46-F170 HydrophobicContact CD2-CE1 4.34Å; F46-F170 AromaticContact CD2-CZ 3.94Å; F46-F170 HydrophobicContact CD2-CZ 3.94Å; F46-F170 AromaticContact CE2-CE1 3.81Å; F46-F170 HydrophobicContact CE2-CE1 3.81Å; F46-F170 AromaticContact CE2-CZ 3.82Å; F46-F170 HydrophobicContact CE2-CZ 3.82Å; F46-F170 HydrophobicContact CZ-CE1 4.29Å; P138-F170 HydrophobicContact CB-CD1 3.98Å; M140-F170 HydrophobicContact CB-CD1 4.35Å; M140-F170 HydrophobicContact CB-CE1 3.83Å; M140-F170 HydrophobicContact CB-CZ 3.97Å; M140-F170 HydrophobicContact CE-CE2 3.65Å; M140-F170 HydrophobicContact CE-CZ 3.72Å; F170-M172 HydrophobicContact CB-SD 4.43Å; F170-E176 CarbonylContact O-C 3.26Å; F170-E176 WeakPolarHBondContact O-CA 3.06Å; F170-K177 PolarHBondContact N-O 3.29Å; F170-K177 PolarHBondContact O-N 3.29Å; F170-V179 HydrophobicContact CD2-CG2 4.2Å; F170-V179 HydrophobicContact CE2-CG2 3.81Å; F170-Y381 HydrophobicContact CE1-CD2 4.48Å; F170-Y381 HydrophobicContact CE1-CE2 4.17Å; F170-Y381 HydrophobicContact CZ-CD2 4.18Å; F170-Y381 HydrophobicContact CZ-CE2 4.33Å; F170-L434 HydrophobicContact CB-CD1 4.26Å; F170-L434 HydrophobicContact CD1-CD1 3.95Å; F170-L434 HydrophobicContact CD2-CD1 4.26Å; F170-L434 HydrophobicContact CD2-CD2 3.99Å; F170-L434 HydrophobicContact CE1-CD1 4.35Å; F170-L434 HydrophobicContact CE2-CD2 4.21Å; F170-L434 HydrophobicContact CG-CD1 3.89Å; F170-L434 HydrophobicContact CG-CD2 4.43Å
171I96.6Very high94.4Very high0 Ų015 Ų150%08%0.078CC..EExtended strand (participates in β ladder)trans-108.5115.7173.3-61.6169.4000108.3P100 C103 R104 S109 Y110 V141 Y169 E176P100-I171 HydrophobicContact CB-CD1 3.55Å; C103-I171 HydrophobicContact CB-CG2 4.11Å; R104-I171 HydrophobicContact CG-CD1 3.84Å; R104-I171 HydrophobicContact CG-CG2 4.41Å; S109-I171 VanDerWaalsContact CA-O 3.29Å; S109-I171 WeakPolarHBondContact CA-O 3.08Å; Y110-I171 PolarHBondContact N-O 3.34Å; V141-I171 HydrophobicContact CG2-CD1 4.02Å; V141-I171 HydrophobicContact CG2-CG1 4.2Å; Y169-I171 HydrophobicContact CD2-CG1 4.35Å; Y169-I171 HydrophobicContact CE2-CD1 4.45Å; Y169-I171 HydrophobicContact CE2-CG1 4.08Å; I171-E176 HydrophobicContact CG1-CG 4.49Å
172M95.2Very high94.4Very high3 Ų314.9 Ų14.92%0.0158%0.078CC..EExtended strand (participates in β ladder)trans-121.6114.9-178.4-56.5-51.9-53.100109.5P138 F170 G174 I175 K177 E431 L434P138-M172 HydrophobicContact CB-SD 3.84Å; P138-M172 HydrophobicContact CG-CE 3.95Å; P138-M172 HydrophobicContact CG-SD 3.78Å; F170-M172 HydrophobicContact CB-SD 4.43Å; M172-G174 PolarHBondContact O-N 3.47Å; M172-I175 PolarHBondContact N-O 3.4Å; M172-I175 WeakPolarHBondContact O-CB 3.35Å; M172-I175 PolarHBondContact O-N 3.41Å; M172-K177 HydrophobicContact CB-CG 4.04Å; M172-K177 HydrophobicContact CG-CB 4.24Å; M172-K177 HydrophobicContact CG-CG 3.91Å; M172-E431 HydrophobicContact CE-CB 3.84Å; M172-E431 HydrophobicContact CE-CG 3.69Å; M172-L434 HydrophobicContact CE-CB 4.42Å; M172-L434 HydrophobicContact CG-CB 3.85Å; M172-L434 HydrophobicContact SD-CB 3.94Å; M172-L434 HydrophobicContact SD-CD1 4.09Å
173N90.6Very high94.5Very high90 Ų9015.2 Ų15.248%0.4818%0.079SC..THydrogen-bonded Turntrans50.341.8-177.4-56.1-26.9000112.5R107 S109 I175R107-N173 CarbonylContact O-C 3.56Å; R107-N173 WeakPolarHBondContact O-CA 3.44Å; S109-N173 PolarHBondContact OG-N 3.29Å; S109-N173 PolarHBondContact OG-OD1 3.31Å; N173-I175 VanDerWaalsContact C-N 3.26Å; N173-I175 PolarHBondContact O-N 3.2Å
174G89.6Confident94.4Very high7 Ų715.1 Ų15.17%0.0728%0.075CC..THydrogen-bonded Turntrans77.2-5.3-175.600000116.6C108 M172C108-G174 PolarHBondContact O-N 2.71Å; M172-G174 PolarHBondContact O-N 3.47Å
175I93.4Very high94.4Very high55 Ų5516.7 Ų16.728%0.2828%0.082SC..EExtended strand (participates in β ladder)trans-100132-178.2-57.3172.2000109.6M172 N173 K177 V456M172-I175 PolarHBondContact N-O 3.4Å; M172-I175 WeakPolarHBondContact O-CB 3.35Å; M172-I175 PolarHBondContact O-N 3.41Å; N173-I175 VanDerWaalsContact C-N 3.26Å; N173-I175 PolarHBondContact O-N 3.2Å; I175-K177 HydrophobicContact CG2-CD 4.49Å; I175-K177 PolarHBondContact O-N 3.04Å; I175-V456 HydrophobicContact CG2-CG1 3.95Å; I175-V456 HydrophobicContact CG2-CG2 4.18Å
176E95.6Very high94.4Very high6 Ų616.7 Ų16.73%0.0288%0.082CC..EExtended strand (participates in β ladder)trans-73.4124.4173.8-63.1-177.9176.500111R104 Y169 F170 I171 V456 A457 K459 R706R104-E176 IonicContact CZ-OE1 3.96Å; R104-E176 IonicContact NE-OE1 2.67Å; R104-E176 PolarHBondContact NE-OE1 3.13Å; R104-E176 IonicContact NH2-OE1 3.57Å; Y169-E176 HydrophobicContact CD2-CB 3.84Å; Y169-E176 HydrophobicContact CD2-CG 3.74Å; Y169-E176 HydrophobicContact CE2-CB 4.22Å; Y169-E176 VanDerWaalsContact CE2-CD 3.45Å; Y169-E176 HydrophobicContact CE2-CG 3.58Å; F170-E176 CarbonylContact O-C 3.26Å; F170-E176 WeakPolarHBondContact O-CA 3.06Å; I171-E176 HydrophobicContact CG1-CG 4.49Å; E176-V456 WeakPolarHBondContact O-CA 3.38Å; E176-A457 HydrophobicContact CB-CB 4.09Å; E176-A457 PolarHBondContact O-N 3.24Å; E176-K459 WeakPolarHBondContact OE2-CE 3.5Å; E176-R706 IonicContact OE1-CZ 3.64Å; E176-R706 VanDerWaalsContact OE1-CZ 3.24Å; E176-R706 IonicContact OE1-NH1 3.69Å; E176-R706 PolarHBondContact OE1-NH1 2.99Å; E176-R706 IonicContact OE1-NH2 3.66Å; E176-R706 PolarHBondContact OE1-NH2 2.84Å; E176-R706 IonicContact OE2-NH2 3.23Å
177K96.6Very high94.4Very high30 Ų3017.1 Ų17.113%0.138%0.084CC..EExtended strand (participates in β ladder)trans-124.1128.9-177.5-65.1-72.6-179.9160.90109.7Y169 F170 M172 I175 L434 A435 V455 V456Y169-K177 WeakPolarHBondContact CB-O 3.14Å; F170-K177 PolarHBondContact N-O 3.29Å; F170-K177 PolarHBondContact O-N 3.29Å; M172-K177 HydrophobicContact CB-CG 4.04Å; M172-K177 HydrophobicContact CG-CB 4.24Å; M172-K177 HydrophobicContact CG-CG 3.91Å; I175-K177 HydrophobicContact CG2-CD 4.49Å; I175-K177 PolarHBondContact O-N 3.04Å; K177-L434 WeakPolarHBondContact CG-O 3.35Å; K177-A435 PolarHBondContact NZ-O 3.42Å; K177-V455 CarbonylContact C-O 3.6Å; K177-V455 WeakPolarHBondContact CA-O 3.37Å; K177-V456 HydrophobicContact CD-CG2 4.17Å
178V96.1Very high94.4Very high2 Ų217.6 Ų17.61%0.0129%0.086CC..EExtended strand (participates in β ladder)trans-113.3134.8176.663.70000109.5C454 V455 A457 H468 F469V178-C454 CarbonylContact O-C 3.49Å; V178-C454 WeakPolarHBondContact O-CA 3.43Å; V178-V455 HydrophobicContact CG1-CG2 3.58Å; V178-V455 PolarHBondContact N-O 3.46Å; V178-V455 PolarHBondContact O-N 2.77Å; V178-A457 HydrophobicContact CB-CB 4.45Å; V178-A457 HydrophobicContact CG1-CB 4.32Å; V178-H468 HydrophobicContact CG1-CB 4.14Å; V178-F469 HydrophobicContact CG2-CD1 3.99Å; V178-F469 HydrophobicContact CG2-CE1 3.89Å
179V95.8Very high94.4Very high7 Ų717.7 Ų17.74%0.0429%0.086CC..EExtended strand (participates in β ladder)trans-81126.2172179.10000107.5F170 P377 L380 L434F170-V179 HydrophobicContact CD2-CG2 4.2Å; F170-V179 HydrophobicContact CE2-CG2 3.81Å; V179-P377 HydrophobicContact CB-CB 3.85Å; V179-P377 HydrophobicContact CB-CG 4.15Å; V179-P377 HydrophobicContact CG1-CB 4.03Å; V179-P377 HydrophobicContact CG1-CG 4.36Å; V179-P377 HydrophobicContact CG2-CB 4.46Å; V179-L380 HydrophobicContact CG1-CD2 3.65Å; V179-L434 HydrophobicContact CG2-CD2 3.69Å
180R93.6Very high94.3Very high56 Ų5617.8 Ų17.821%0.2119%0.087CC..PPolyproline II helixtrans-75.2140.7179.9-70.9-176.9167.7177.1-1.9110.7L453 V455R180-L453 PolarHBondContact N-O 2.88Å; R180-V455 HydrophobicContact CG-CG1 4.37Å; R180-V455 HydrophobicContact CG-CG2 3.93Å
181M95.6Very high94.2Very high1 Ų117.8 Ų17.81%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-71.7136.2166.6-73.9179.6-63.200110.2V374 L375 F469 C471 V472 H473 M514M181-V374 HydrophobicContact CB-CG1 3.64Å; M181-V374 HydrophobicContact CG-CG1 4Å; M181-V374 HydrophobicContact SD-CG1 4Å; M181-L375 WeakPolarHBondContact CA-O 3.48Å; M181-F469 WeakPolarHBondContact CE-O 3.5Å; M181-C471 WeakPolarHBondContact CE-O 3.37Å; M181-V472 HydrophobicContact CB-CG2 4.13Å; M181-V472 HydrophobicContact CE-CG2 3.95Å; M181-H473 PolarHBondContact O-N 3.2Å; M181-M514 HydrophobicContact CE-CE 3.37Å; M181-M514 HydrophobicContact SD-CE 4.03Å
182L94.3Very high94.1Very high4 Ų417.8 Ų17.82%0.0219%0.087CC..EExtended strand (participates in β ladder)trans-121.7135.3-175.1-63.4176.4000111.7Q184 V374 L375 I447 L453 H473L182-Q184 PolarHBondContact O-N 3.49Å; L182-V374 CarbonylContact O-C 3.53Å; L182-V374 WeakPolarHBondContact O-CA 3.48Å; L182-L375 HydrophobicContact CB-CB 4.28Å; L182-L375 PolarHBondContact N-O 3.07Å; L182-L375 VanDerWaalsContact N-O 3.15Å; L182-L375 PolarHBondContact O-N 3.13Å; L182-I447 HydrophobicContact CD1-CG2 4.38Å; L182-L453 HydrophobicContact CD1-CD2 3.48Å; L182-L453 VanDerWaalsContact CD1-CD2 3.48Å; L182-H473 WeakPolarHBondContact CA-O 3.41Å; L182-H473 HydrophobicContact CD2-CB 4.07Å
183I93.9Very high94Very high13 Ų1317.9 Ų17.97%0.0679%0.087CC..EExtended strand (participates in β ladder)trans-76.6119.2172.9-58.1-172.1000109.2L369 Q372 E373 V472 H473I183-L369 HydrophobicContact CD1-CD2 4.38Å; I183-Q372 HydrophobicContact CG2-CB 3.65Å; I183-Q372 HydrophobicContact CG2-CG 3.65Å; I183-E373 CarbonylContact C-O 3.37Å; I183-E373 WeakPolarHBondContact CA-O 3.36Å; I183-V472 HydrophobicContact CD1-CG1 3.77Å; I183-V472 HydrophobicContact CG1-CG1 3.28Å; I183-H473 PolarHBondContact N-O 3.1Å
184Q91.9Very high94.1Very high20 Ų2014.7 Ų14.79%0.0937%0.072CC..EExtended strand (participates in β ladder)trans-112.4169.3171-65.7-164.1-71.100110.7L182 Q372 E373 L375 G446L182-Q184 PolarHBondContact O-N 3.49Å; Q184-Q372 CarbonylContact O-C 3.59Å; Q184-Q372 WeakPolarHBondContact O-CA 3.42Å; Q184-Q372 WeakPolarHBondContact O-CB 3.49Å; Q184-E373 HydrophobicContact CB-CG 4.34Å; Q184-E373 PolarHBondContact N-O 3.47Å; Q184-E373 PolarHBondContact O-N 3.23Å; Q184-L375 HydrophobicContact CG-CB 4.07Å; Q184-G446 PolarHBondContact NE2-O 3.31Å
185Q92.7Very high94.2Very high48 Ų4820 Ų2022%0.2249%0.09CC..EExtended strand (participates in β ladder)trans-65139.3169.5-179176.1-8.300108.9R187 V191 S211 H213Q185-R187 PolarHBondContact O-N 3.19Å; Q185-V191 HydrophobicContact CG-CG2 4.47Å; Q185-S211 PolarHBondContact NE2-O 2.92Å; Q185-S211 VanDerWaalsContact NE2-O 3.15Å; Q185-H213 HydrophobicContact CB-CB 4.3Å; Q185-H213 HydrophobicContact CG-CB 4.24Å; Q185-H213 PolarHBondContact O-CD2 3.24Å
186R93.4Very high94Very high3 Ų322 Ų221%0.01111%0.107CC..PPolyproline II helixtrans-54.1130.1176.6-178.8169.9-171.6127.77.5110.6M370 C371 E594 F613 T636R186-M370 WeakPolarHBondContact CD-O 3.38Å; R186-M370 PolarHBondContact NH1-O 3.19Å; R186-C371 VanDerWaalsContact CB-C 3.45Å; R186-C371 WeakPolarHBondContact CB-O 3.17Å; R186-C371 PolarHBondContact N-O 2.92Å; R186-E594 IonicContact CZ-OE1 3.6Å; R186-E594 IonicContact CZ-OE2 3.66Å; R186-E594 IonicContact NH1-OE1 3.51Å; R186-E594 PolarHBondContact NH1-OE1 2.94Å; R186-E594 IonicContact NH1-OE2 2.79Å; R186-E594 IonicContact NH2-OE1 3.59Å; R186-E594 PolarHBondContact NH2-OE1 2.95Å; R186-E594 IonicContact NH2-OE2 3.51Å; R186-E594 PolarHBondContact NH2-OE2 2.87Å; R186-F613 VanDerWaalsContact NH2-CE2 3.27Å; R186-T636 PolarHBondContact NH1-OG1 3.04Å
187R93.4Very high93.6Very high12 Ų1230 Ų305%0.04514%0.141CC..BIsolated β-bridgetrans-70.6152.6179.370.6-171.864.1-170.7-1.8112.5Q185 Y189 H213 V215 H219 E373 T615 C617Q185-R187 PolarHBondContact O-N 3.19Å; R187-Y189 PolarHBondContact O-N 3.04Å; R187-H213 CarbonylContact C-O 3.54Å; R187-H213 VanDerWaalsContact CA-O 3.28Å; R187-H213 WeakPolarHBondContact CA-O 3.2Å; R187-V215 HydrophobicContact CB-CB 3.99Å; R187-V215 HydrophobicContact CB-CG2 3.59Å; R187-H219 PolarHBondContact NH1-CE1 3.12Å; R187-H219 VanDerWaalsContact NH1-CE1 3.26Å; R187-H219 PolarHBondContact NH1-ND1 3.09Å; R187-E373 WeakPolarHBondContact CB-OE2 3.28Å; R187-E373 WeakPolarHBondContact CG-OE2 3.42Å; R187-E373 IonicContact CZ-OE1 3.04Å; R187-E373 VanDerWaalsContact CZ-OE1 3.23Å; R187-E373 IonicContact CZ-OE2 2.77Å; R187-E373 PolarHBondContact N-OE2 3.23Å; R187-E373 VanDerWaalsContact NE-CD 3.31Å; R187-E373 IonicContact NE-OE1 3.71Å; R187-E373 PolarHBondContact NE-OE1 3.4Å; R187-E373 IonicContact NE-OE2 2.89Å; R187-E373 PolarHBondContact NE-OE2 3.36Å; R187-E373 IonicContact NH2-OE1 3.79Å; R187-E373 PolarHBondContact NH2-OE1 3Å; R187-E373 IonicContact NH2-OE2 3.75Å; R187-T615 HydrophobicContact CG-CG2 4.4Å; R187-C617 PolarHBondContact NH2-SG 3.17Å
188N93.8Very high93.3Very high11 Ų1129 Ų296%0.05914%0.137CC..THydrogen-bonded Turntrans54.424.3168.5-51.8-11.8000114.8M212 H213 V215 H335 D559 G560N188-M212 VanDerWaalsContact C-CE 3.44Å; N188-M212 WeakPolarHBondContact O-CE 3.28Å; N188-H213 PolarHBondContact N-O 2.69Å; N188-V215 PolarHBondContact OD1-N 3.08Å; N188-H335 VanDerWaalsContact CG-CD2 3.47Å; N188-H335 WeakPolarHBondContact OD1-CB 3.37Å; N188-D559 VanDerWaalsContact CB-O 3.23Å; N188-D559 WeakPolarHBondContact CB-O 3.28Å; N188-D559 PolarHBondContact ND2-O 2.98Å; N188-G560 VanDerWaalsContact O-CA 3.25Å; N188-G560 WeakPolarHBondContact O-CA 3.48Å
189Y95Very high93.1Very high3 Ų334.3 Ų34.31%0.01216%0.16CC..  trans-121.1127.2174.7-178.2-106.8000110R187 V191 K352 E364 M370 F611 F613 F637R187-Y189 PolarHBondContact O-N 3.04Å; Y189-V191 HydrophobicContact CD1-CG2 3.74Å; Y189-V191 HydrophobicContact CE1-CG2 4.24Å; Y189-V191 PolarHBondContact O-N 3.07Å; Y189-K352 PolarHBondContact OH-NZ 3.07Å; Y189-E364 PolarHBondContact OH-OE1 2.74Å; Y189-M370 HydrophobicContact CE1-CE 4.26Å; Y189-F611 HydrophobicContact CD2-CD1 4.37Å; Y189-F611 AromaticContact CE2-CD1 4Å; Y189-F611 HydrophobicContact CE2-CD1 4Å; Y189-F611 AromaticContact CE2-CE1 3.9Å; Y189-F611 HydrophobicContact CE2-CE1 3.9Å; Y189-F611 HydrophobicContact CE2-CG 4.42Å; Y189-F611 HydrophobicContact CE2-CZ 4.21Å; Y189-F613 HydrophobicContact CD2-CE1 4.47Å; Y189-F613 AromaticContact CD2-CZ 3.9Å; Y189-F613 HydrophobicContact CD2-CZ 3.9Å; Y189-F613 HydrophobicContact CG-CZ 4.41Å; Y189-F637 AromaticContact CE2-CE1 3.93Å; Y189-F637 HydrophobicContact CE2-CE1 3.93Å; Y189-F637 AromaticContact CZ-CE1 3.92Å
190P95.2Very high92.8Very high2 Ų238.8 Ų38.81%0.01319%0.191CC..EExtended strand (participates in β ladder)trans-78.5102.9178.328.2-28.5000110.3I210 F348 K352P190-I210 HydrophobicContact CB-CG2 3.46Å; P190-I210 VanDerWaalsContact CB-CG2 3.46Å; P190-F348 HydrophobicContact CG-CD1 4.11Å; P190-F348 HydrophobicContact CG-CE1 3.64Å; P190-K352 WeakPolarHBondContact O-CE 3.32Å; P190-K352 PolarHBondContact O-NZ 2.88Å
191V95.8Very high92.5Very high1 Ų140.1 Ų40.11%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-85.1119.9-178-178.30000110.7Q185 Y189 I210 S211 E364 C371Q185-V191 HydrophobicContact CG-CG2 4.47Å; Y189-V191 HydrophobicContact CD1-CG2 3.74Å; Y189-V191 HydrophobicContact CE1-CG2 4.24Å; Y189-V191 PolarHBondContact O-N 3.07Å; V191-I210 CarbonylContact O-C 3.56Å; V191-I210 VanDerWaalsContact O-CA 3.25Å; V191-I210 WeakPolarHBondContact O-CA 3.47Å; V191-S211 PolarHBondContact N-O 2.93Å; V191-S211 PolarHBondContact O-N 2.99Å; V191-E364 WeakPolarHBondContact CA-OE2 3.26Å; V191-E364 HydrophobicContact CG1-CB 3.86Å; V191-C371 HydrophobicContact CG2-CB 4.47Å
192A95.3Very high92.1Very high0 Ų041.7 Ų41.70%021%0.213CC..EExtended strand (participates in β ladder)trans-81.7117.4174.300000110.7I210 F356 E364A192-I210 HydrophobicContact CB-CG1 4.5Å; A192-F356 HydrophobicContact CB-CB 4.39Å; A192-F356 HydrophobicContact CB-CD1 4.12Å; A192-F356 HydrophobicContact CB-CD2 4.2Å; A192-F356 HydrophobicContact CB-CE1 4.45Å; A192-F356 HydrophobicContact CB-CG 3.98Å; A192-E364 PolarHBondContact N-OE2 3.2Å; A192-E364 WeakPolarHBondContact O-CB 2.79Å; A192-E364 PolarHBondContact O-N 3.23Å
193M93.6Very high91.6Very high4 Ų451.4 Ų51.42%0.0226%0.258CS..EExtended strand (participates in β ladder)trans-144.3148.2-172.452.6-179.6-6800111.8R195 W198 G209 S211M193-R195 VanDerWaalsContact CE-CD 3.42Å; M193-R195 HydrophobicContact CE-CG 3.74Å; M193-W198 HydrophobicContact CE-CH2 3.64Å; M193-W198 HydrophobicContact CE-CZ2 3.72Å; M193-W198 HydrophobicContact CG-CH2 3.5Å; M193-W198 VanDerWaalsContact CG-CH2 3.5Å; M193-W198 HydrophobicContact CG-CZ2 4.47Å; M193-W198 HydrophobicContact CG-CZ3 4Å; M193-W198 WeakPolarHBondContact O-CZ3 3.39Å; M193-W198 HydrophobicContact SD-CH2 3.74Å; M193-W198 HydrophobicContact SD-CZ2 4.2Å; M193-G209 PolarHBondContact N-O 3.38Å; M193-G209 PolarHBondContact O-N 2.89Å; M193-S211 WeakPolarHBondContact SD-CB 3.34Å
194S92.4Very high91.3Very high23 Ų2351.9 Ų51.916%0.16127%0.266CS..EExtended strand (participates in β ladder)trans-109.5123.8177.9-174.80000109.7Q207 E363S194-Q207 WeakPolarHBondContact CA-O 3.33Å; S194-Q207 WeakPolarHBondContact OG-CG 3.3Å; S194-E363 PolarHBondContact N-OE1 3.33Å
195R90.3Very high91.4Very high118 Ų11851.9 Ų51.945%0.44527%0.266SS..  trans-130118.4174.6-72.9-170171.4171.811.5111.3M193 K197 W198 Q207M193-R195 VanDerWaalsContact CE-CD 3.42Å; M193-R195 HydrophobicContact CE-CG 3.74Å; R195-K197 PolarHBondContact O-N 3.2Å; R195-K197 VanDerWaalsContact O-N 3.13Å; R195-W198 HydrophobicContact CB-CD2 3.63Å; R195-W198 HydrophobicContact CB-CE3 4Å; R195-W198 HydrophobicContact CB-CG 3.9Å; R195-W198 HydrophobicContact CB-CZ2 4.44Å; R195-W198 HydrophobicContact CG-CD2 4.41Å; R195-W198 HydrophobicContact CG-CZ2 4.35Å; R195-W198 WeakPolarHBondContact O-CB 3.4Å; R195-W198 PolarHBondContact O-N 3.36Å; R195-Q207 PolarHBondContact N-O 2.93Å
196P89Confident91.5Very high97 Ų9750.3 Ų50.363%0.6326%0.259SS*.G310 helixtrans-56.3-34.2176.5-28.135.2000113.5W198 K199P196-W198 PolarHBondContact O-N 3.32Å; P196-W198 VanDerWaalsContact O-N 3.12Å; P196-K199 PolarHBondContact O-N 2.92Å
197K88.8Confident91.5Very high174 Ų17452.4 Ų52.476%0.75727%0.269SS*.G310 helixtrans-63.8-12.8176.6-68.8-170.7178.3-176.30114.2R195 S200R195-K197 PolarHBondContact O-N 3.2Å; R195-K197 VanDerWaalsContact O-N 3.13Å; K197-S200 PolarHBondContact O-OG 3.15Å
198W90.6Very high91.6Very high10 Ų1053.9 Ų53.94%0.03828%0.275CS..G310 helixtrans-76.5-26.7176.6-67.4-17.4000112.6M193 R195 P196 S200 R201 Y205 Q207 H227M193-W198 HydrophobicContact CE-CH2 3.64Å; M193-W198 HydrophobicContact CE-CZ2 3.72Å; M193-W198 HydrophobicContact CG-CH2 3.5Å; M193-W198 VanDerWaalsContact CG-CH2 3.5Å; M193-W198 HydrophobicContact CG-CZ2 4.47Å; M193-W198 HydrophobicContact CG-CZ3 4Å; M193-W198 WeakPolarHBondContact O-CZ3 3.39Å; M193-W198 HydrophobicContact SD-CH2 3.74Å; M193-W198 HydrophobicContact SD-CZ2 4.2Å; R195-W198 HydrophobicContact CB-CD2 3.63Å; R195-W198 HydrophobicContact CB-CE3 4Å; R195-W198 HydrophobicContact CB-CG 3.9Å; R195-W198 HydrophobicContact CB-CZ2 4.44Å; R195-W198 HydrophobicContact CG-CD2 4.41Å; R195-W198 HydrophobicContact CG-CZ2 4.35Å; R195-W198 WeakPolarHBondContact O-CB 3.4Å; R195-W198 PolarHBondContact O-N 3.36Å; P196-W198 PolarHBondContact O-N 3.32Å; P196-W198 VanDerWaalsContact O-N 3.12Å; W198-S200 PolarHBondContact O-N 2.87Å; W198-R201 WeakPolarHBondContact O-CB 3.43Å; W198-R201 WeakPolarHBondContact O-CG 2.8Å; W198-R201 PolarHBondContact O-N 2.98Å; W198-R201 VanDerWaalsContact O-N 3.14Å; W198-Y205 WeakPolarHBondContact O-CB 3.25Å; W198-Q207 VanDerWaalsContact CE3-O 3.31Å; W198-H227 AromaticContact CD1-CE1 3.97Å; W198-H227 AromaticContact CD2-CE1 3.36Å; W198-H227 AromaticContact CD2-ND1 3.96Å; W198-H227 AromaticContact CE2-CE1 3.68Å; W198-H227 AromaticContact CE3-CE1 3.66Å; W198-H227 AromaticContact CE3-ND1 3.98Å; W198-H227 AromaticContact CG-CE1 3.56Å
199K90.8Very high91.6Very high114 Ų11453.4 Ų53.450%0.49627%0.272SS..G310 helixtrans-60-29171.7-62.4-170.9179.2-174.50113P196 R201 Q207P196-K199 PolarHBondContact O-N 2.92Å; K199-R201 PolarHBondContact O-N 2.88Å; K199-Q207 HydrophobicContact CG-CB 4.3Å
200S88.9Confident91.7Very high101 Ų10153.3 Ų53.371%0.70627%0.272SS*.G310 helixtrans-82.35.9-179.573.90000114.2K197 W198K197-S200 PolarHBondContact O-OG 3.15Å; W198-S200 PolarHBondContact O-N 2.87Å
201R87.5Confident91.7Very high83 Ų8353.6 Ų53.631%0.31327%0.274SS..G310 helixtrans-81.4-21.8-179.7-71-176.4172.4-162.7-1.6113.6W198 K199 Y205 H227 N237W198-R201 WeakPolarHBondContact O-CB 3.43Å; W198-R201 WeakPolarHBondContact O-CG 2.8Å; W198-R201 PolarHBondContact O-N 2.98Å; W198-R201 VanDerWaalsContact O-N 3.14Å; K199-R201 PolarHBondContact O-N 2.88Å; R201-Y205 HydrophobicContact CB-CD1 4.01Å; R201-Y205 HydrophobicContact CB-CD2 4.5Å; R201-Y205 HydrophobicContact CB-CE1 4.19Å; R201-Y205 HydrophobicContact CB-CG 4.17Å; R201-H227 PolarHBondContact NH1-CE1 3.39Å; R201-H227 PolarHBondContact NH1-NE2 3.35Å; R201-N237 PolarHBondContact NH1-ND2 3.33Å
202G86.6Confident91.5Very high34 Ų3453.6 Ų53.635%0.35127%0.274SS..SBendtrans172.5168-179.600000111.3Y205G202-Y205 PolarHBondContact O-N 3.33Å
203Q84.6Confident91.4Very high208 Ų20853.9 Ų53.997%0.97228%0.275SS*.THydrogen-bonded Turntrans-64.7137.3174.6-169.5173.86.600110.2Y205Q203-Y205 VanDerWaalsContact C-N 3.3Å; Q203-Y205 PolarHBondContact O-N 2.94Å
204G88.4Confident91.4Very high23 Ų2353.7 Ų53.724%0.23728%0.275CS..THydrogen-bonded Turntrans79.11.6-178.200000115.5L229 E230G204-L229 CarbonylContact O-C 3.27Å; G204-L229 VanDerWaalsContact O-CA 3.28Å; G204-L229 WeakPolarHBondContact O-CA 3.23Å; G204-E230 PolarHBondContact O-N 3.13Å
205Y93.6Very high91.4Very high21 Ų2153 Ų538%0.08227%0.269CS..EExtended strand (participates in β ladder)trans-75.3129.6173.4-90.6-103.9000111.9W198 R201 G202 Q203 H227 L229 M235 F246W198-Y205 WeakPolarHBondContact O-CB 3.25Å; R201-Y205 HydrophobicContact CB-CD1 4.01Å; R201-Y205 HydrophobicContact CB-CD2 4.5Å; R201-Y205 HydrophobicContact CB-CE1 4.19Å; R201-Y205 HydrophobicContact CB-CG 4.17Å; G202-Y205 PolarHBondContact O-N 3.33Å; Q203-Y205 VanDerWaalsContact C-N 3.3Å; Q203-Y205 PolarHBondContact O-N 2.94Å; Y205-H227 HydrophobicContact CD1-CB 4.13Å; Y205-H227 HydrophobicContact CE1-CB 3.82Å; Y205-H227 AromaticContact CE1-CG 3.83Å; Y205-L229 HydrophobicContact CD1-CD2 3.96Å; Y205-L229 HydrophobicContact CD2-CD2 3.64Å; Y205-L229 HydrophobicContact CE1-CD2 4.1Å; Y205-L229 HydrophobicContact CE2-CD2 3.79Å; Y205-L229 HydrophobicContact CG-CD2 3.73Å; Y205-M235 VanDerWaalsContact OH-CG 3.28Å; Y205-M235 WeakPolarHBondContact OH-CG 3.4Å; Y205-M235 PolarHBondContact OH-SD 3.34Å; Y205-F246 WeakPolarHBondContact OH-CD1 3.23Å; Y205-F246 WeakPolarHBondContact OH-CE1 3.4Å
206T94.4Very high91.5Very high14 Ų1449.7 Ų49.79%0.08626%0.257CS..EExtended strand (participates in β ladder)trans-90.1176.9170.777.90000111.9Y208 Y228 E230T206-Y208 VanDerWaalsContact C-N 3.34Å; T206-Y208 PolarHBondContact OG1-N 3.11Å; T206-Y228 WeakPolarHBondContact CB-O 3.35Å; T206-Y228 HydrophobicContact CG2-CD1 3.85Å; T206-Y228 HydrophobicContact CG2-CE1 4.32Å; T206-Y228 WeakPolarHBondContact CG2-O 3.36Å; T206-Y228 PolarHBondContact N-O 3.04Å; T206-Y228 PolarHBondContact OG1-O 2.97Å; T206-E230 HydrophobicContact CG2-CG 3.76Å
207Q93.1Very high91.3Very high47 Ų4749.7 Ų49.722%0.2225%0.248CC..EExtended strand (participates in β ladder)trans-82.5-12173.963.5-168.325.500113.5S194 R195 W198 K199S194-Q207 WeakPolarHBondContact CA-O 3.33Å; S194-Q207 WeakPolarHBondContact OG-CG 3.3Å; R195-Q207 PolarHBondContact N-O 2.93Å; W198-Q207 VanDerWaalsContact CE3-O 3.31Å; K199-Q207 HydrophobicContact CG-CB 4.3Å
208Y94.9Very high91.2Very high44 Ų4442 Ų4217%0.17322%0.215CC..EExtended strand (participates in β ladder)trans-89131.8-173-54.9-69.9000110.7T206 Y228 F356 Q359T206-Y208 VanDerWaalsContact C-N 3.34Å; T206-Y208 PolarHBondContact OG1-N 3.11Å; Y208-Y228 PolarHBondContact O-N 3.26Å; Y208-F356 HydrophobicContact CD1-CD1 4.13Å; Y208-F356 AromaticContact CD1-CE1 3.67Å; Y208-F356 HydrophobicContact CD1-CE1 3.67Å; Y208-F356 AromaticContact CD1-CZ 3.99Å; Y208-F356 HydrophobicContact CD1-CZ 3.99Å; Y208-F356 HydrophobicContact CG-CE1 4.35Å; Y208-Q359 PolarHBondContact OH-NE2 3.22Å; Y208-Q359 VanDerWaalsContact OH-NE2 3.11Å
209G95.3Very high91.1Very high0 Ų041.7 Ų41.70%021%0.214CC..EExtended strand (participates in β ladder)trans-162.5162.2174.800000112.9M193 L226M193-G209 PolarHBondContact N-O 3.38Å; M193-G209 PolarHBondContact O-N 2.89Å; G209-L226 CarbonylContact C-O 3.55Å; G209-L226 WeakPolarHBondContact CA-O 3.41Å
210I96.2Very high91Very high1 Ų137.5 Ų37.51%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-104.7129.2170.5-71.7-174.9000108.5P190 V191 A192 N225 L226 S349 K352 L353P190-I210 HydrophobicContact CB-CG2 3.46Å; P190-I210 VanDerWaalsContact CB-CG2 3.46Å; V191-I210 CarbonylContact O-C 3.56Å; V191-I210 VanDerWaalsContact O-CA 3.25Å; V191-I210 WeakPolarHBondContact O-CA 3.47Å; A192-I210 HydrophobicContact CB-CG1 4.5Å; I210-N225 CarbonylContact O-C 3.52Å; I210-N225 WeakPolarHBondContact O-CA 2.91Å; I210-L226 HydrophobicContact CB-CB 4.45Å; I210-L226 PolarHBondContact N-O 3.35Å; I210-L226 PolarHBondContact O-N 2.71Å; I210-S349 WeakPolarHBondContact CD1-O 3.45Å; I210-K352 HydrophobicContact CD1-CB 3.78Å; I210-K352 HydrophobicContact CD1-CD 4.15Å; I210-K352 HydrophobicContact CD1-CG 3.77Å; I210-L353 HydrophobicContact CD1-CB 3.8Å; I210-L353 HydrophobicContact CG1-CB 4.1Å; I210-L353 HydrophobicContact CG1-CD1 4.25Å
211S94.6Very high91Very high8 Ų833.6 Ų33.66%0.05617%0.173CC..EExtended strand (participates in β ladder)trans-108.6132.9173.7-168.80000110.5Q185 V191 M193 N225Q185-S211 PolarHBondContact NE2-O 2.92Å; Q185-S211 VanDerWaalsContact NE2-O 3.15Å; V191-S211 PolarHBondContact N-O 2.93Å; V191-S211 PolarHBondContact O-N 2.99Å; M193-S211 WeakPolarHBondContact SD-CB 3.34Å; S211-N225 WeakPolarHBondContact CA-OD1 3.45Å; S211-N225 WeakPolarHBondContact CB-OD1 3.2Å; S211-N225 PolarHBondContact OG-OD1 2.83Å
212M92.9Very high91.1Very high1 Ų130.7 Ų30.71%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-130.8128.7-179.1-162.6175.9-158.300110.4N188 M224 L345N188-M212 VanDerWaalsContact C-CE 3.44Å; N188-M212 WeakPolarHBondContact O-CE 3.28Å; M212-M224 HydrophobicContact CB-CE 4.28Å; M212-M224 PolarHBondContact N-O 2.92Å; M212-M224 PolarHBondContact O-N 3.17Å; M212-M224 HydrophobicContact SD-CE 4.08Å; M212-L345 HydrophobicContact CE-CD1 3.88Å; M212-L345 HydrophobicContact CE-CD2 3.62Å; M212-L345 HydrophobicContact CE-CG 4.26Å; M212-L345 HydrophobicContact SD-CD2 3.89Å; M212-L345 HydrophobicContact SD-CG 4.5Å
213H93.8Very high91.3Very high6 Ų630.6 Ų30.63%0.02816%0.155CC..EExtended strand (participates in β ladder)trans-97.195.7172.2-171.960.4000108.9Q185 R187 N188 V215 A221 N223Q185-H213 HydrophobicContact CB-CB 4.3Å; Q185-H213 HydrophobicContact CG-CB 4.24Å; Q185-H213 PolarHBondContact O-CD2 3.24Å; R187-H213 CarbonylContact C-O 3.54Å; R187-H213 VanDerWaalsContact CA-O 3.28Å; R187-H213 WeakPolarHBondContact CA-O 3.2Å; N188-H213 PolarHBondContact N-O 2.69Å; H213-V215 WeakPolarHBondContact CD2-CG2 3.21Å; H213-V215 WeakPolarHBondContact NE2-CG2 3.44Å; H213-A221 VanDerWaalsContact CE1-CB 3.5Å; H213-A221 WeakPolarHBondContact CE1-CB 3.34Å; H213-N223 PolarHBondContact ND1-OD1 3.49Å
214C93.3Very high91.7Very high1 Ų120.7 Ų20.71%0.00711%0.109CC..EExtended strand (participates in β ladder)trans-86.3119-177.1-65.50000109.7A221 I222 I334C214-A221 VanDerWaalsContact O-CA 3.31Å; C214-A221 WeakPolarHBondContact O-CA 3.19Å; C214-I222 PolarHBondContact N-O 3.41Å; C214-I222 PolarHBondContact O-N 3.21Å; C214-I334 HydrophobicContact CB-CG1 3.84Å
215V92.6Very high92Very high8 Ų820.2 Ų20.25%0.04810%0.101CC..EExtended strand (participates in β ladder)trans-124.5124.5-176.1-1740000110.6R187 N188 H213 S220 A221 H335R187-V215 HydrophobicContact CB-CB 3.99Å; R187-V215 HydrophobicContact CB-CG2 3.59Å; N188-V215 PolarHBondContact OD1-N 3.08Å; H213-V215 WeakPolarHBondContact CD2-CG2 3.21Å; H213-V215 WeakPolarHBondContact NE2-CG2 3.44Å; V215-S220 WeakPolarHBondContact CA-O 3.45Å; V215-A221 HydrophobicContact CG2-CB 3.98Å; V215-H335 WeakPolarHBondContact O-CB 3.15Å
216R90.7Very high92.1Very high49 Ų4919.3 Ų19.319%0.18510%0.097CC..  trans-74.8168.2174.1-74.9-175.2172.6177.88.7112.7E218 H219 S220 N329 E330 I334R216-E218 WeakPolarHBondContact CB-OE2 3.29Å; R216-E218 WeakPolarHBondContact CD-OE1 3.46Å; R216-E218 PolarHBondContact O-N 3.03Å; R216-H219 WeakPolarHBondContact O-CA 3.46Å; R216-H219 PolarHBondContact O-N 3.28Å; R216-S220 PolarHBondContact N-O 3.4Å; R216-N329 PolarHBondContact NH2-O 2.82Å; R216-E330 IonicContact CZ-OE1 2.72Å; R216-E330 VanDerWaalsContact CZ-OE1 3.26Å; R216-E330 IonicContact NH1-OE1 2.71Å; R216-E330 PolarHBondContact NH1-OE1 2.7Å; R216-E330 IonicContact NH1-OE2 3.24Å; R216-E330 IonicContact NH2-OE1 3.48Å; R216-E330 PolarHBondContact NH2-OE1 3.01Å; R216-I334 HydrophobicContact CG-CB 4.15Å; R216-I334 HydrophobicContact CG-CD1 4.03Å; R216-I334 HydrophobicContact CG-CG1 4.02Å; R216-I334 WeakPolarHBondContact CG-O 3.2Å; R216-I334 PolarHBondContact NE-O 2.85Å; R216-I334 VanDerWaalsContact NE-O 3.14Å
217E86.1Confident92.1Very high96 Ų9618.6 Ų18.645%0.4499%0.093SC..THydrogen-bonded Turntrans-58.4-28.7176.8-67.1-174.2-159.500113.6R56 H219 K337R56-E217 IonicContact CZ-OE2 2.77Å; R56-E217 IonicContact NH1-OE2 2.89Å; E217-H219 VanDerWaalsContact C-N 3.31Å; E217-K337 WeakPolarHBondContact OE1-CE 3.19Å; E217-K337 IonicContact OE1-NZ 2.77Å; E217-K337 PolarHBondContact OE1-NZ 3.4Å
218E86.4Confident92.2Very high13 Ų1317.8 Ų17.86%0.0619%0.088CC..THydrogen-bonded Turntrans-89.812.2173.884.2-72.3178.600114R56 V57 A60 R216 S220 K386R56-E218 HydrophobicContact CB-CB 4.22Å; V57-E218 HydrophobicContact CG2-CB 3.92Å; V57-E218 HydrophobicContact CG2-CG 4.26Å; A60-E218 HydrophobicContact CB-CG 3.8Å; R216-E218 WeakPolarHBondContact CB-OE2 3.29Å; R216-E218 WeakPolarHBondContact CD-OE1 3.46Å; R216-E218 PolarHBondContact O-N 3.03Å; E218-S220 VanDerWaalsContact C-N 3.29Å; E218-S220 PolarHBondContact O-N 3.43Å; E218-S220 WeakPolarHBondContact OE1-CB 3.38Å; E218-S220 PolarHBondContact OE1-OG 3.32Å; E218-K386 HydrophobicContact CG-CD 4.1Å; E218-K386 IonicContact OE1-NZ 2.74Å; E218-K386 PolarHBondContact OE1-NZ 3.02Å
219H89Confident92.2Very high3 Ų316.5 Ų16.51%0.0148%0.084CC..  trans68.213.4179.3-66-93.3000116.6R187 R216 E217 A221 Q379 M383 L616R187-H219 PolarHBondContact NH1-CE1 3.12Å; R187-H219 VanDerWaalsContact NH1-CE1 3.26Å; R187-H219 PolarHBondContact NH1-ND1 3.09Å; R216-H219 WeakPolarHBondContact O-CA 3.46Å; R216-H219 PolarHBondContact O-N 3.28Å; E217-H219 VanDerWaalsContact C-N 3.31Å; H219-A221 PolarHBondContact O-N 2.9Å; H219-Q379 WeakPolarHBondContact CE1-CG 3.47Å; H219-Q379 WeakPolarHBondContact ND1-CG 3.5Å; H219-Q379 VanDerWaalsContact NE2-CG 3.34Å; H219-Q379 WeakPolarHBondContact NE2-CG 3.45Å; H219-M383 HydrophobicContact CB-CG 3.85Å; H219-M383 HydrophobicContact CB-SD 4.29Å; H219-M383 WeakPolarHBondContact O-CE 3.32Å; H219-M383 WeakPolarHBondContact O-CG 3.43Å; H219-L616 WeakPolarHBondContact NE2-CD1 3.15Å
220S87.8Confident92.1Very high27 Ų2723.3 Ų23.319%0.18912%0.116CC..  trans-66.7132.8165.5-65.10000109.8V215 R216 E218 K386V215-S220 WeakPolarHBondContact CA-O 3.45Å; R216-S220 PolarHBondContact N-O 3.4Å; E218-S220 VanDerWaalsContact C-N 3.29Å; E218-S220 PolarHBondContact O-N 3.43Å; E218-S220 WeakPolarHBondContact OE1-CB 3.38Å; E218-S220 PolarHBondContact OE1-OG 3.32Å; S220-K386 VanDerWaalsContact OG-CD 3.25Å; S220-K386 WeakPolarHBondContact OG-CD 3.32Å; S220-K386 WeakPolarHBondContact OG-CE 3.41Å; S220-K386 PolarHBondContact OG-NZ 3.26Å
221A89.6Confident91.7Very high19 Ų1927.6 Ų27.616%0.15714%0.139CC..EExtended strand (participates in β ladder)trans-128138.5-169.900000112.1H213 C214 V215 H219H213-A221 VanDerWaalsContact CE1-CB 3.5Å; H213-A221 WeakPolarHBondContact CE1-CB 3.34Å; C214-A221 VanDerWaalsContact O-CA 3.31Å; C214-A221 WeakPolarHBondContact O-CA 3.19Å; V215-A221 HydrophobicContact CG2-CB 3.98Å; H219-A221 PolarHBondContact O-N 2.9Å
222I90Very high91.4Very high21 Ų2127.5 Ų27.511%0.10814%0.139CC..EExtended strand (participates in β ladder)trans-130.9134.2172.9-70.8-177.9000109.9C214 F238 E330 I334C214-I222 PolarHBondContact N-O 3.41Å; C214-I222 PolarHBondContact O-N 3.21Å; I222-F238 HydrophobicContact CG2-CB 4.37Å; I222-E330 WeakPolarHBondContact CD1-O 3.45Å; I222-I334 HydrophobicContact CB-CD1 4Å; I222-I334 HydrophobicContact CD1-CD1 4.08Å; I222-I334 HydrophobicContact CD1-CG2 4.04Å; I222-I334 HydrophobicContact CG1-CD1 3.86Å
223N90.8Very high91.4Very high32 Ų3227.6 Ų27.617%0.17114%0.14CC..EExtended strand (participates in β ladder)trans-91.7119.1173.6-67-40000109.2H213 F238 I239H213-N223 PolarHBondContact ND1-OD1 3.49Å; N223-F238 WeakPolarHBondContact O-CA 3.38Å; N223-I239 HydrophobicContact CB-CD1 4.39Å; N223-I239 PolarHBondContact O-N 2.72Å
224M92.5Very high91.5Very high1 Ų127.4 Ų27.41%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-113.8144.8176-173.6179.167.800109.5M212 L226 L236 N237 L332 L346M212-M224 HydrophobicContact CB-CE 4.28Å; M212-M224 PolarHBondContact N-O 2.92Å; M212-M224 PolarHBondContact O-N 3.17Å; M212-M224 HydrophobicContact SD-CE 4.08Å; M224-L226 HydrophobicContact CE-CD1 3.8Å; M224-L226 HydrophobicContact CG-CD1 4.28Å; M224-L226 HydrophobicContact SD-CD1 4.31Å; M224-L236 HydrophobicContact CG-CD2 4Å; M224-L236 HydrophobicContact CG-CG 4.08Å; M224-L236 HydrophobicContact SD-CD1 3.75Å; M224-L236 HydrophobicContact SD-CD2 4.03Å; M224-L236 HydrophobicContact SD-CG 3.97Å; M224-N237 CarbonylContact C-O 3.59Å; M224-N237 VanDerWaalsContact CA-O 3.29Å; M224-N237 WeakPolarHBondContact CA-O 3.06Å; M224-L332 HydrophobicContact SD-CD2 4.48Å; M224-L346 HydrophobicContact CE-CD2 3.99Å; M224-L346 HydrophobicContact SD-CD2 4.33Å
225N94.3Very high91.6Very high13 Ų1328.7 Ų28.77%0.0715%0.145CC..EExtended strand (participates in β ladder)trans-136.2132.6173.2-50.1-77.5000110.9I210 S211 H227 N237I210-N225 CarbonylContact O-C 3.52Å; I210-N225 WeakPolarHBondContact O-CA 2.91Å; S211-N225 WeakPolarHBondContact CA-OD1 3.45Å; S211-N225 WeakPolarHBondContact CB-OD1 3.2Å; S211-N225 PolarHBondContact OG-OD1 2.83Å; N225-H227 VanDerWaalsContact CB-NE2 3.32Å; N225-H227 WeakPolarHBondContact CB-NE2 3.43Å; N225-N237 HydrophobicContact CB-CB 4.47Å; N225-N237 PolarHBondContact N-O 3.42Å; N225-N237 PolarHBondContact O-N 2.85Å
226L95.7Very high91.7Very high1 Ų128.3 Ų28.31%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-99.2125.9169.8-76.468.2000108.3G209 I210 M224 V234 M235 L236 L346 L353G209-L226 CarbonylContact C-O 3.55Å; G209-L226 WeakPolarHBondContact CA-O 3.41Å; I210-L226 HydrophobicContact CB-CB 4.45Å; I210-L226 PolarHBondContact N-O 3.35Å; I210-L226 PolarHBondContact O-N 2.71Å; M224-L226 HydrophobicContact CE-CD1 3.8Å; M224-L226 HydrophobicContact CG-CD1 4.28Å; M224-L226 HydrophobicContact SD-CD1 4.31Å; L226-V234 HydrophobicContact CB-CG1 4.04Å; L226-V234 HydrophobicContact CD2-CG1 4.33Å; L226-V234 HydrophobicContact CG-CG1 4.31Å; L226-M235 WeakPolarHBondContact CA-O 3.05Å; L226-L236 HydrophobicContact CD1-CD1 4.44Å; L226-L236 HydrophobicContact CD1-CG 4.4Å; L226-L346 HydrophobicContact CD1-CD2 4.4Å; L226-L353 HydrophobicContact CB-CD2 4.07Å
227H95.5Very high91.8Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-112.3133.5-178.5-69.9-100.5000109.9W198 R201 Y205 N225 V234 M235 N237W198-H227 AromaticContact CD1-CE1 3.97Å; W198-H227 AromaticContact CD2-CE1 3.36Å; W198-H227 AromaticContact CD2-ND1 3.96Å; W198-H227 AromaticContact CE2-CE1 3.68Å; W198-H227 AromaticContact CE3-CE1 3.66Å; W198-H227 AromaticContact CE3-ND1 3.98Å; W198-H227 AromaticContact CG-CE1 3.56Å; R201-H227 PolarHBondContact NH1-CE1 3.39Å; R201-H227 PolarHBondContact NH1-NE2 3.35Å; Y205-H227 HydrophobicContact CD1-CB 4.13Å; Y205-H227 HydrophobicContact CE1-CB 3.82Å; Y205-H227 AromaticContact CE1-CG 3.83Å; N225-H227 VanDerWaalsContact CB-NE2 3.32Å; N225-H227 WeakPolarHBondContact CB-NE2 3.43Å; H227-V234 WeakPolarHBondContact O-CA 3.24Å; H227-M235 PolarHBondContact N-O 3.16Å; H227-M235 PolarHBondContact O-N 3.1Å; H227-N237 PolarHBondContact CD2-ND2 3.07Å; H227-N237 PolarHBondContact NE2-ND2 3.45Å
228Y95.3Very high92.1Very high30 Ų3021.5 Ų21.512%0.11811%0.113CC..EExtended strand (participates in β ladder)trans-83.4130.1170.9179.8-103.9000109.6T206 Y208 F277 F354 A357T206-Y228 WeakPolarHBondContact CB-O 3.35Å; T206-Y228 HydrophobicContact CG2-CD1 3.85Å; T206-Y228 HydrophobicContact CG2-CE1 4.32Å; T206-Y228 WeakPolarHBondContact CG2-O 3.36Å; T206-Y228 PolarHBondContact N-O 3.04Å; T206-Y228 PolarHBondContact OG1-O 2.97Å; Y208-Y228 PolarHBondContact O-N 3.26Å; Y228-F277 HydrophobicContact CE2-CZ 4.02Å; Y228-F277 AromaticContact CZ-CZ 3.88Å; Y228-F277 WeakPolarHBondContact OH-CE2 3.31Å; Y228-F277 WeakPolarHBondContact OH-CZ 3.31Å; Y228-F354 HydrophobicContact CD2-CD1 4.12Å; Y228-F354 HydrophobicContact CD2-CE1 4.07Å; Y228-F354 HydrophobicContact CE2-CD1 4.23Å; Y228-F354 HydrophobicContact CE2-CE1 4.17Å; Y228-A357 HydrophobicContact CD1-CB 3.92Å; Y228-A357 HydrophobicContact CD2-CB 4.31Å; Y228-A357 HydrophobicContact CE1-CB 4.25Å; Y228-A357 HydrophobicContact CG-CB 3.96Å
229L94.6Very high92.2Very high16 Ų1624.1 Ų24.18%0.08413%0.127CC..EExtended strand (participates in β ladder)trans-102.5155.3178-59.2-177.5000111.1G204 Y205 N231 G232 T233 M235G204-L229 CarbonylContact O-C 3.27Å; G204-L229 VanDerWaalsContact O-CA 3.28Å; G204-L229 WeakPolarHBondContact O-CA 3.23Å; Y205-L229 HydrophobicContact CD1-CD2 3.96Å; Y205-L229 HydrophobicContact CD2-CD2 3.64Å; Y205-L229 HydrophobicContact CE1-CD2 4.1Å; Y205-L229 HydrophobicContact CE2-CD2 3.79Å; Y205-L229 HydrophobicContact CG-CD2 3.73Å; L229-N231 VanDerWaalsContact CB-OD1 3.25Å; L229-N231 WeakPolarHBondContact CB-OD1 3.49Å; L229-N231 PolarHBondContact O-N 3.07Å; L229-G232 PolarHBondContact O-N 3.36Å; L229-T233 WeakPolarHBondContact CB-O 3.38Å; L229-T233 PolarHBondContact N-O 2.93Å; L229-M235 HydrophobicContact CD1-CB 4.22Å; L229-M235 HydrophobicContact CG-CB 4.48Å
230E91.6Very high92.1Very high143 Ų14325.9 Ų25.967%0.66813%0.133SC*.THydrogen-bonded Turntrans-62-26.8-179.3-69.3178.9169.900113G204 T206 G232G204-E230 PolarHBondContact O-N 3.13Å; T206-E230 HydrophobicContact CG2-CG 3.76Å; E230-G232 PolarHBondContact O-N 3.39Å
231N89.6Confident92Very high92 Ų9229.2 Ų29.249%0.49215%0.146SC..THydrogen-bonded Turntrans-78.14.7174.770.3-6.3000113.7L229 T233L229-N231 VanDerWaalsContact CB-OD1 3.25Å; L229-N231 WeakPolarHBondContact CB-OD1 3.49Å; L229-N231 PolarHBondContact O-N 3.07Å; N231-T233 VanDerWaalsContact C-N 3.31Å; N231-T233 PolarHBondContact ND2-OG1 2.83Å; N231-T233 PolarHBondContact O-N 2.91Å; N231-T233 WeakPolarHBondContact OD1-CB 3.33Å; N231-T233 PolarHBondContact OD1-N 3.07Å; N231-T233 PolarHBondContact OD1-OG1 2.82Å
232G87.9Confident91.8Very high5 Ų533.8 Ų33.85%0.05216%0.163CC..SBendtrans83.5-2179.600000115.1L229 E230 C281L229-G232 PolarHBondContact O-N 3.36Å; E230-G232 PolarHBondContact O-N 3.39Å; G232-C281 VanDerWaalsContact O-CB 3.29Å; G232-C281 WeakPolarHBondContact O-CB 3.43Å; G232-C281 PolarHBondContact O-SG 3.18Å
233T92.4Very high91.7Very high4 Ų437 Ų373%0.02518%0.177CC..  trans-88.9163.7178.267.40000112.3L229 N231 E284 M285 M288L229-T233 WeakPolarHBondContact CB-O 3.38Å; L229-T233 PolarHBondContact N-O 2.93Å; N231-T233 VanDerWaalsContact C-N 3.31Å; N231-T233 PolarHBondContact ND2-OG1 2.83Å; N231-T233 PolarHBondContact O-N 2.91Å; N231-T233 WeakPolarHBondContact OD1-CB 3.33Å; N231-T233 PolarHBondContact OD1-N 3.07Å; N231-T233 PolarHBondContact OD1-OG1 2.82Å; T233-E284 HydrophobicContact CG2-CB 4.25Å; T233-E284 HydrophobicContact CG2-CG 3.79Å; T233-M285 HydrophobicContact CG2-CG 4.06Å; T233-M288 HydrophobicContact CG2-CE 3.88Å
234V95.3Very high91.6Very high2 Ų238.5 Ų38.51%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-115.5129.4-179.7-179.10000110.8L226 H227 L249 M285 T350 L353 F354L226-V234 HydrophobicContact CB-CG1 4.04Å; L226-V234 HydrophobicContact CD2-CG1 4.33Å; L226-V234 HydrophobicContact CG-CG1 4.31Å; H227-V234 WeakPolarHBondContact O-CA 3.24Å; V234-L249 HydrophobicContact CB-CB 4.03Å; V234-L249 HydrophobicContact CB-CD2 3.87Å; V234-L249 HydrophobicContact CG1-CB 4.2Å; V234-L249 HydrophobicContact CG1-CD2 3.94Å; V234-L249 HydrophobicContact CG2-CD2 4.46Å; V234-L249 WeakPolarHBondContact O-CB 3.41Å; V234-L249 PolarHBondContact O-N 3.02Å; V234-M285 HydrophobicContact CB-SD 3.84Å; V234-M285 HydrophobicContact CG2-SD 3.87Å; V234-T350 HydrophobicContact CG2-CG2 4.27Å; V234-L353 HydrophobicContact CG1-CD2 3.84Å; V234-L353 HydrophobicContact CG2-CD2 4.05Å; V234-F354 HydrophobicContact CG2-CE1 3.6Å; V234-F354 HydrophobicContact CG2-CZ 3.94Å
235M94.9Very high91.6Very high28 Ų2839.9 Ų39.914%0.13819%0.191CC..EExtended strand (participates in β ladder)trans-106.2124.1175.3-164.5121.2-70.400110.9Y205 L226 H227 L229 N237 F246 P248Y205-M235 VanDerWaalsContact OH-CG 3.28Å; Y205-M235 WeakPolarHBondContact OH-CG 3.4Å; Y205-M235 PolarHBondContact OH-SD 3.34Å; L226-M235 WeakPolarHBondContact CA-O 3.05Å; H227-M235 PolarHBondContact N-O 3.16Å; H227-M235 PolarHBondContact O-N 3.1Å; L229-M235 HydrophobicContact CD1-CB 4.22Å; L229-M235 HydrophobicContact CG-CB 4.48Å; M235-N237 WeakPolarHBondContact CG-OD1 3.46Å; M235-F246 HydrophobicContact CG-CB 4.41Å; M235-F246 HydrophobicContact CG-CD1 4.32Å; M235-F246 HydrophobicContact SD-CB 4.31Å; M235-P248 HydrophobicContact CE-CB 3.64Å; M235-P248 HydrophobicContact CE-CG 3.55Å
236L94.9Very high91.5Very high0 Ų043.3 Ų43.30%021%0.205CC..EExtended strand (participates in β ladder)trans-92.7125.2175.6-172.1156000109.7M224 L226 F238 F246 L247 L249 L332 L346M224-L236 HydrophobicContact CG-CD2 4Å; M224-L236 HydrophobicContact CG-CG 4.08Å; M224-L236 HydrophobicContact SD-CD1 3.75Å; M224-L236 HydrophobicContact SD-CD2 4.03Å; M224-L236 HydrophobicContact SD-CG 3.97Å; L226-L236 HydrophobicContact CD1-CD1 4.44Å; L226-L236 HydrophobicContact CD1-CG 4.4Å; L236-F238 HydrophobicContact CD2-CD1 3.74Å; L236-F238 HydrophobicContact CD2-CE1 4.49Å; L236-F246 CarbonylContact O-C 3.51Å; L236-L247 WeakPolarHBondContact CA-O 3.21Å; L236-L247 VanDerWaalsContact CB-O 3.31Å; L236-L247 WeakPolarHBondContact CB-O 3.36Å; L236-L247 PolarHBondContact N-O 2.87Å; L236-L247 PolarHBondContact O-N 3.41Å; L236-L249 HydrophobicContact CD1-CD1 4.24Å; L236-L332 HydrophobicContact CD1-CD2 4.14Å; L236-L332 HydrophobicContact CD2-CD2 3.39Å; L236-L332 HydrophobicContact CG-CD2 4.43Å; L236-L346 HydrophobicContact CD1-CD1 4.36Å; L236-L346 HydrophobicContact CD1-CD2 3.78Å
237N93.1Very high91.4Very high0 Ų043.4 Ų43.40%021%0.206CC..EExtended strand (participates in β ladder)trans-120.1132.1-177.3-61.7-17.4000110.1R201 M224 N225 H227 M235 L244 F245 F246R201-N237 PolarHBondContact NH1-ND2 3.33Å; M224-N237 CarbonylContact C-O 3.59Å; M224-N237 VanDerWaalsContact CA-O 3.29Å; M224-N237 WeakPolarHBondContact CA-O 3.06Å; N225-N237 HydrophobicContact CB-CB 4.47Å; N225-N237 PolarHBondContact N-O 3.42Å; N225-N237 PolarHBondContact O-N 2.85Å; H227-N237 PolarHBondContact CD2-ND2 3.07Å; H227-N237 PolarHBondContact NE2-ND2 3.45Å; M235-N237 WeakPolarHBondContact CG-OD1 3.46Å; N237-L244 HydrophobicContact CB-CD1 4.25Å; N237-F245 VanDerWaalsContact CA-O 3.23Å; N237-F245 WeakPolarHBondContact CA-O 3.39Å; N237-F246 WeakPolarHBondContact OD1-CD1 3.4Å
238F92.1Very high91.3Very high1 Ų145 Ų450%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-137.2153.5176.460.6-89000111.2I222 N223 L236 F245 L247 F308 L327 C331 L332I222-F238 HydrophobicContact CG2-CB 4.37Å; N223-F238 WeakPolarHBondContact O-CA 3.38Å; L236-F238 HydrophobicContact CD2-CD1 3.74Å; L236-F238 HydrophobicContact CD2-CE1 4.49Å; F238-F245 HydrophobicContact CD1-CB 4.4Å; F238-F245 HydrophobicContact CD2-CB 4.16Å; F238-F245 HydrophobicContact CD2-CD2 4.32Å; F238-F245 HydrophobicContact CE1-CB 3.88Å; F238-F245 HydrophobicContact CE2-CB 3.61Å; F238-F245 AromaticContact CE2-CD2 3.8Å; F238-F245 HydrophobicContact CE2-CD2 3.8Å; F238-F245 AromaticContact CE2-CG 3.92Å; F238-F245 HydrophobicContact CE2-CG 3.92Å; F238-F245 HydrophobicContact CZ-CB 3.44Å; F238-F245 VanDerWaalsContact CZ-CB 3.44Å; F238-F245 HydrophobicContact CZ-CD2 4.4Å; F238-F245 HydrophobicContact CZ-CG 4.06Å; F238-F245 PolarHBondContact N-O 3.41Å; F238-F245 VanDerWaalsContact N-O 3.11Å; F238-F245 PolarHBondContact O-N 3.49Å; F238-L247 HydrophobicContact CE1-CB 4.4Å; F238-F308 HydrophobicContact CZ-CE1 4.17Å; F238-L327 HydrophobicContact CE2-CD1 4.12Å; F238-L327 HydrophobicContact CZ-CD1 3.75Å; F238-C331 HydrophobicContact CD2-CB 3.69Å; F238-C331 HydrophobicContact CE2-CB 3.66Å; F238-C331 HydrophobicContact CG-CB 4.27Å; F238-C331 HydrophobicContact CZ-CB 4.23Å; F238-L332 HydrophobicContact CD1-CD2 4.01Å; F238-L332 HydrophobicContact CE1-CD2 4.37Å
239I89Confident91.2Very high68 Ų6843.7 Ų43.735%0.34921%0.211SC..EExtended strand (participates in β ladder)trans-102.4121.5178.4-59.2174000109N223 E243 L244N223-I239 HydrophobicContact CB-CD1 4.39Å; N223-I239 PolarHBondContact O-N 2.72Å; I239-E243 CarbonylContact C-O 3.45Å; I239-E243 VanDerWaalsContact CA-O 3.31Å; I239-E243 WeakPolarHBondContact CA-O 3.48Å; I239-L244 HydrophobicContact CG1-CD1 3.79Å
240Y87.9Confident91.1Very high40 Ų4043.2 Ų43.216%0.15721%0.21CC..EExtended strand (participates in β ladder)trans-130.2127.7174.6-176.4-105.6000109.5K242 E243 F245 L312Y240-K242 VanDerWaalsContact C-N 3.25Å; Y240-K242 PolarHBondContact O-N 3.46Å; Y240-E243 PolarHBondContact N-O 2.83Å; Y240-E243 PolarHBondContact O-N 3.46Å; Y240-F245 HydrophobicContact CD1-CE2 4.42Å; Y240-L312 HydrophobicContact CD1-CD2 4.36Å; Y240-L312 HydrophobicContact CE1-CD2 4.01Å
241Q84.9Confident91.2Very high97 Ų9736.7 Ų36.745%0.45318%0.18SC..THydrogen-bonded Turntrans49.640.2-176.8-59.1-1756.500114.7E243Q241-E243 PolarHBondContact O-N 3.36Å
242K85.1Confident91.4Very high116 Ų11632.3 Ų32.350%0.50416%0.156SC..THydrogen-bonded Turntrans67.53.9-175.9-57.3176.1179.4168.90115.9Y240 S441 K442Y240-K242 VanDerWaalsContact C-N 3.25Å; Y240-K242 PolarHBondContact O-N 3.46Å; K242-S441 WeakPolarHBondContact CE-O 3.18Å; K242-S441 PolarHBondContact NZ-O 3.32Å; K242-K442 WeakPolarHBondContact CD-O 3.37Å; K242-K442 WeakPolarHBondContact CE-O 3.5Å; K242-K442 WeakPolarHBondContact CG-O 3.4Å
243E87.8Confident91.7Very high88 Ų8832.2 Ų32.241%0.41115%0.154SC..EExtended strand (participates in β ladder)trans-97.8145.4171.1-64.2-173167.200110.2I239 Y240 Q241 F245 K311I239-E243 CarbonylContact C-O 3.45Å; I239-E243 VanDerWaalsContact CA-O 3.31Å; I239-E243 WeakPolarHBondContact CA-O 3.48Å; Y240-E243 PolarHBondContact N-O 2.83Å; Y240-E243 PolarHBondContact O-N 3.46Å; Q241-E243 PolarHBondContact O-N 3.36Å; E243-F245 HydrophobicContact CB-CE2 3.77Å; E243-F245 HydrophobicContact CB-CZ 4.01Å; E243-K311 VanDerWaalsContact CD-NZ 3.31Å; E243-K311 IonicContact OE1-NZ 3.16Å; E243-K311 PolarHBondContact OE1-NZ 2.59Å; E243-K311 WeakPolarHBondContact OE2-CE 3.25Å; E243-K311 IonicContact OE2-NZ 2.88Å; E243-K311 PolarHBondContact OE2-NZ 2.76Å
244L89.6Confident91.7Very high63 Ų6332.6 Ų32.633%0.3316%0.155SC..EExtended strand (participates in β ladder)trans-97.8123.4177.8-177.269.9000109N237 I239 F246N237-L244 HydrophobicContact CB-CD1 4.25Å; I239-L244 HydrophobicContact CG1-CD1 3.79Å; L244-F246 HydrophobicContact CD2-CE1 4.27Å; L244-F246 HydrophobicContact CD2-CE2 4.17Å; L244-F246 HydrophobicContact CD2-CZ 3.63Å; L244-F246 HydrophobicContact CG-CE2 4.2Å; L244-F246 HydrophobicContact CG-CZ 4.08Å
245F91.9Very high91.6Very high30 Ų3032.5 Ų32.513%0.13216%0.155CC..EExtended strand (participates in β ladder)trans-109.9153.4177.8-65.7-82.8000111N237 F238 Y240 E243 F308 K311N237-F245 VanDerWaalsContact CA-O 3.23Å; N237-F245 WeakPolarHBondContact CA-O 3.39Å; F238-F245 HydrophobicContact CD1-CB 4.4Å; F238-F245 HydrophobicContact CD2-CB 4.16Å; F238-F245 HydrophobicContact CD2-CD2 4.32Å; F238-F245 HydrophobicContact CE1-CB 3.88Å; F238-F245 HydrophobicContact CE2-CB 3.61Å; F238-F245 AromaticContact CE2-CD2 3.8Å; F238-F245 HydrophobicContact CE2-CD2 3.8Å; F238-F245 AromaticContact CE2-CG 3.92Å; F238-F245 HydrophobicContact CE2-CG 3.92Å; F238-F245 HydrophobicContact CZ-CB 3.44Å; F238-F245 VanDerWaalsContact CZ-CB 3.44Å; F238-F245 HydrophobicContact CZ-CD2 4.4Å; F238-F245 HydrophobicContact CZ-CG 4.06Å; F238-F245 PolarHBondContact N-O 3.41Å; F238-F245 VanDerWaalsContact N-O 3.11Å; F238-F245 PolarHBondContact O-N 3.49Å; Y240-F245 HydrophobicContact CD1-CE2 4.42Å; E243-F245 HydrophobicContact CB-CE2 3.77Å; E243-F245 HydrophobicContact CB-CZ 4.01Å; F245-F308 HydrophobicContact CB-CE1 4.24Å; F245-F308 HydrophobicContact CD1-CD1 4.3Å; F245-F308 AromaticContact CD1-CE1 3.8Å; F245-F308 HydrophobicContact CD1-CE1 3.8Å; F245-F308 HydrophobicContact CG-CE1 4.25Å; F245-K311 HydrophobicContact CE1-CB 4.17Å; F245-K311 HydrophobicContact CE1-CG 4.14Å; F245-K311 HydrophobicContact CZ-CB 4.15Å; F245-K311 HydrophobicContact CZ-CD 4.45Å; F245-K311 HydrophobicContact CZ-CG 4.32Å
246F92.1Very high91.5Very high86 Ų8631.3 Ų31.338%0.37715%0.149SC..EExtended strand (participates in β ladder)trans-124.8133.7-177.3-59.1-94.7000109.3Y205 M235 L236 N237 L244Y205-F246 WeakPolarHBondContact OH-CD1 3.23Å; Y205-F246 WeakPolarHBondContact OH-CE1 3.4Å; M235-F246 HydrophobicContact CG-CB 4.41Å; M235-F246 HydrophobicContact CG-CD1 4.32Å; M235-F246 HydrophobicContact SD-CB 4.31Å; L236-F246 CarbonylContact O-C 3.51Å; N237-F246 WeakPolarHBondContact OD1-CD1 3.4Å; L244-F246 HydrophobicContact CD2-CE1 4.27Å; L244-F246 HydrophobicContact CD2-CE2 4.17Å; L244-F246 HydrophobicContact CD2-CZ 3.63Å; L244-F246 HydrophobicContact CG-CE2 4.2Å; L244-F246 HydrophobicContact CG-CZ 4.08Å
247L93.4Very high91.4Very high3 Ų331.9 Ų31.92%0.01615%0.153CC..EExtended strand (participates in β ladder)trans-142.1119.3-178.2176.862.2000108.9L236 F238 L249 F251 A252 L304 L332L236-L247 WeakPolarHBondContact CA-O 3.21Å; L236-L247 VanDerWaalsContact CB-O 3.31Å; L236-L247 WeakPolarHBondContact CB-O 3.36Å; L236-L247 PolarHBondContact N-O 2.87Å; L236-L247 PolarHBondContact O-N 3.41Å; F238-L247 HydrophobicContact CE1-CB 4.4Å; L247-L249 PolarHBondContact O-N 3.04Å; L247-F251 HydrophobicContact CD1-CB 4.18Å; L247-A252 HydrophobicContact CD2-CB 3.79Å; L247-A252 HydrophobicContact CG-CB 4.28Å; L247-L304 HydrophobicContact CD1-CD2 3.5Å; L247-L304 VanDerWaalsContact CD1-CD2 3.5Å; L247-L332 HydrophobicContact CD2-CD1 4Å; L247-L332 HydrophobicContact CD2-CD2 4.49Å
248P94.2Very high91.3Very high34 Ų3437.4 Ų37.422%0.22118%0.182CC..EExtended strand (participates in β ladder)trans-62.8136.1174.2-11.722.2000110.5M235 G250 F251 A252 M288M235-P248 HydrophobicContact CE-CB 3.64Å; M235-P248 HydrophobicContact CE-CG 3.55Å; P248-G250 VanDerWaalsContact C-N 3.27Å; P248-G250 PolarHBondContact O-N 3.41Å; P248-F251 HydrophobicContact CB-CD2 3.92Å; P248-F251 HydrophobicContact CB-CE2 4.41Å; P248-F251 HydrophobicContact CG-CD2 3.88Å; P248-F251 HydrophobicContact CG-CE2 4.18Å; P248-F251 PolarHBondContact O-N 3.01Å; P248-A252 PolarHBondContact O-N 3.16Å; P248-M288 HydrophobicContact CB-SD 3.92Å; P248-M288 HydrophobicContact CG-SD 4.3Å
249L93.6Very high91.3Very high1 Ų139.8 Ų39.81%0.00519%0.193CC..Hα-helixtrans-60.4-35.6-170.3-178.968.7000112.9V234 L236 L247 F251 A252 L253 M285 L346 T350V234-L249 HydrophobicContact CB-CB 4.03Å; V234-L249 HydrophobicContact CB-CD2 3.87Å; V234-L249 HydrophobicContact CG1-CB 4.2Å; V234-L249 HydrophobicContact CG1-CD2 3.94Å; V234-L249 HydrophobicContact CG2-CD2 4.46Å; V234-L249 WeakPolarHBondContact O-CB 3.41Å; V234-L249 PolarHBondContact O-N 3.02Å; L236-L249 HydrophobicContact CD1-CD1 4.24Å; L247-L249 PolarHBondContact O-N 3.04Å; L249-F251 VanDerWaalsContact C-N 3.31Å; L249-F251 PolarHBondContact O-N 3.22Å; L249-A252 WeakPolarHBondContact O-CB 3.27Å; L249-A252 PolarHBondContact O-N 2.85Å; L249-A252 VanDerWaalsContact O-N 3.07Å; L249-L253 HydrophobicContact CD1-CG 4.22Å; L249-L253 HydrophobicContact CD2-CD1 4.22Å; L249-L253 HydrophobicContact CG-CD1 3.95Å; L249-L253 HydrophobicContact CG-CG 4.09Å; L249-L253 WeakPolarHBondContact O-CG 3.45Å; L249-L253 PolarHBondContact O-N 3.16Å; L249-M285 HydrophobicContact CB-SD 4.42Å; L249-M285 HydrophobicContact CD2-SD 4.12Å; L249-L346 HydrophobicContact CD1-CB 4.44Å; L249-L346 HydrophobicContact CD1-CD1 4.4Å; L249-L346 HydrophobicContact CD1-CD2 4.42Å; L249-T350 HydrophobicContact CD2-CG2 3.91Å; L249-T350 WeakPolarHBondContact CD2-OG1 3.42Å
250G92.8Very high91.5Very high6 Ų640.7 Ų40.76%0.06220%0.202CC..Hα-helixtrans-56.5-42.1179.300000113.3P248 L253 K254 V289P248-G250 VanDerWaalsContact C-N 3.27Å; P248-G250 PolarHBondContact O-N 3.41Å; G250-L253 PolarHBondContact O-N 3.13Å; G250-K254 PolarHBondContact O-N 3.48Å; G250-K254 VanDerWaalsContact O-N 3.13Å; G250-V289 VanDerWaalsContact C-CG2 3.44Å
251F93.6Very high91.6Very high7 Ų741.6 Ų41.63%0.03121%0.209CC..Hα-helixtrans-66.3-40.5175.5-70.2-82.3000111.6L247 P248 L249 A255 V289 E292 C294 V300 Y303 L304L247-F251 HydrophobicContact CD1-CB 4.18Å; P248-F251 HydrophobicContact CB-CD2 3.92Å; P248-F251 HydrophobicContact CB-CE2 4.41Å; P248-F251 HydrophobicContact CG-CD2 3.88Å; P248-F251 HydrophobicContact CG-CE2 4.18Å; P248-F251 PolarHBondContact O-N 3.01Å; L249-F251 VanDerWaalsContact C-N 3.31Å; L249-F251 PolarHBondContact O-N 3.22Å; F251-A255 WeakPolarHBondContact O-CB 3.15Å; F251-A255 PolarHBondContact O-N 2.94Å; F251-V289 HydrophobicContact CD1-CG1 3.97Å; F251-V289 HydrophobicContact CD1-CG2 4.42Å; F251-V289 HydrophobicContact CD2-CG2 4.14Å; F251-V289 HydrophobicContact CE1-CB 4.45Å; F251-V289 HydrophobicContact CE1-CG1 3.83Å; F251-V289 HydrophobicContact CE1-CG2 4.48Å; F251-V289 HydrophobicContact CE2-CG2 4.18Å; F251-V289 HydrophobicContact CG-CG2 4.24Å; F251-V289 HydrophobicContact CZ-CB 4.45Å; F251-V289 HydrophobicContact CZ-CG1 4.31Å; F251-V289 HydrophobicContact CZ-CG2 4.34Å; F251-E292 HydrophobicContact CE1-CB 4.37Å; F251-E292 HydrophobicContact CZ-CB 3.98Å; F251-E292 HydrophobicContact CZ-CG 3.97Å; F251-C294 HydrophobicContact CE1-CB 4.09Å; F251-V300 HydrophobicContact CD1-CG1 4.3Å; F251-V300 WeakPolarHBondContact O-CG1 3.47Å; F251-Y303 HydrophobicContact CD1-CD1 4.22Å; F251-Y303 HydrophobicContact CD1-CE1 4.27Å; F251-Y303 HydrophobicContact CE1-CD1 4.07Å; F251-Y303 AromaticContact CE1-CE1 3.88Å; F251-Y303 HydrophobicContact CE1-CE1 3.88Å; F251-Y303 HydrophobicContact CZ-CE1 4.19Å; F251-L304 HydrophobicContact CB-CD2 4.43Å
252A93.2Very high91.9Very high0 Ų043.4 Ų43.40%022%0.216CC..Hα-helixtrans-62.3-44.9177.600000111.7L247 P248 L249 A255 L256 L332L247-A252 HydrophobicContact CD2-CB 3.79Å; L247-A252 HydrophobicContact CG-CB 4.28Å; P248-A252 PolarHBondContact O-N 3.16Å; L249-A252 WeakPolarHBondContact O-CB 3.27Å; L249-A252 PolarHBondContact O-N 2.85Å; L249-A252 VanDerWaalsContact O-N 3.07Å; A252-A255 PolarHBondContact O-N 2.8Å; A252-L256 VanDerWaalsContact O-CG 3.29Å; A252-L256 WeakPolarHBondContact O-CG 3.38Å; A252-L256 PolarHBondContact O-N 3.24Å; A252-L332 HydrophobicContact CB-CD1 4.28Å
253L94Very high92.2Very high3 Ų341 Ų412%0.01621%0.206CC..Hα-helixtrans-64.4-47.3-179.9-67.6174.5000112L249 G250 A255 L256 I264 L268 F343 L346L249-L253 HydrophobicContact CD1-CG 4.22Å; L249-L253 HydrophobicContact CD2-CD1 4.22Å; L249-L253 HydrophobicContact CG-CD1 3.95Å; L249-L253 HydrophobicContact CG-CG 4.09Å; L249-L253 WeakPolarHBondContact O-CG 3.45Å; L249-L253 PolarHBondContact O-N 3.16Å; G250-L253 PolarHBondContact O-N 3.13Å; L253-A255 VanDerWaalsContact C-N 3.3Å; L253-A255 PolarHBondContact O-N 3.42Å; L253-L256 PolarHBondContact O-N 3.35Å; L253-I264 HydrophobicContact CD1-CG2 4.21Å; L253-L268 HydrophobicContact CD1-CD1 3.9Å; L253-L268 HydrophobicContact CD1-CD2 4.28Å; L253-L268 HydrophobicContact CD1-CG 4.49Å; L253-F343 HydrophobicContact CB-CD2 4.29Å; L253-F343 HydrophobicContact CB-CE2 4.18Å; L253-F343 HydrophobicContact CD2-CD2 3.73Å; L253-F343 HydrophobicContact CD2-CE2 3.95Å; L253-L346 HydrophobicContact CD2-CB 3.8Å; L253-L346 HydrophobicContact CD2-CD1 4.27Å
254K92.9Very high92.4Very high11 Ų1136.8 Ų36.85%0.04819%0.186CC..Hα-helixtrans-69.4-23.5177.4-78.2-172.2164.3-172.80114.2G250 D261 I264 V289 V300G250-K254 PolarHBondContact O-N 3.48Å; G250-K254 VanDerWaalsContact O-N 3.13Å; K254-D261 VanDerWaalsContact CE-CG 3.46Å; K254-D261 WeakPolarHBondContact CE-OD1 3.49Å; K254-D261 IonicContact NZ-OD1 3.79Å; K254-D261 PolarHBondContact NZ-OD1 3.38Å; K254-D261 IonicContact NZ-OD2 2.84Å; K254-D261 PolarHBondContact NZ-OD2 2.97Å; K254-I264 HydrophobicContact CG-CD1 3.77Å; K254-V289 HydrophobicContact CD-CB 4.32Å; K254-V289 HydrophobicContact CD-CG1 3.72Å; K254-V300 HydrophobicContact CB-CG2 4.06Å
255A93.3Very high92.6Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-73.8-32.2175.900000112.4F251 A252 L253 R297 V300 L301 L304 L328F251-A255 WeakPolarHBondContact O-CB 3.15Å; F251-A255 PolarHBondContact O-N 2.94Å; A252-A255 PolarHBondContact O-N 2.8Å; L253-A255 VanDerWaalsContact C-N 3.3Å; L253-A255 PolarHBondContact O-N 3.42Å; A255-R297 PolarHBondContact O-NE 3.26Å; A255-R297 VanDerWaalsContact O-NE 3.09Å; A255-V300 HydrophobicContact CB-CG1 3.79Å; A255-L301 HydrophobicContact CB-CD2 4.14Å; A255-L304 HydrophobicContact CB-CD1 3.85Å; A255-L328 HydrophobicContact CB-CD1 4.04Å; A255-L328 HydrophobicContact CB-CD2 4.12Å
256L93.1Very high92.5Very high4 Ų439 Ų392%0.02119%0.194CC..Hα-helixtrans-76.7-38.6-175.7-71.6168.6000113A252 L253 L328 D339 K342 F343 L346A252-L256 VanDerWaalsContact O-CG 3.29Å; A252-L256 WeakPolarHBondContact O-CG 3.38Å; A252-L256 PolarHBondContact O-N 3.24Å; L253-L256 PolarHBondContact O-N 3.35Å; L256-L328 HydrophobicContact CD2-CD1 4.33Å; L256-L328 HydrophobicContact CD2-CD2 4.32Å; L256-D339 HydrophobicContact CB-CB 4.27Å; L256-D339 HydrophobicContact CD2-CB 3.87Å; L256-D339 WeakPolarHBondContact O-CB 3.36Å; L256-K342 HydrophobicContact CD1-CB 3.95Å; L256-K342 HydrophobicContact CD2-CB 4.06Å; L256-K342 HydrophobicContact CD2-CD 3.85Å; L256-F343 HydrophobicContact CB-CB 4.42Å; L256-F343 HydrophobicContact CD1-CB 4.42Å; L256-L346 HydrophobicContact CD1-CD1 3.76Å
257V92.1Very high92.5Very high11 Ų1136 Ų367%0.06718%0.181CC..  trans-134.2149.7-172.3-65.50000112.2F259 L340 F343V257-F259 HydrophobicContact CB-CB 4.5Å; V257-F259 HydrophobicContact CB-CD1 4.24Å; V257-F259 HydrophobicContact CB-CD2 4.09Å; V257-F259 HydrophobicContact CB-CE2 4.39Å; V257-F259 HydrophobicContact CB-CG 4.01Å; V257-F259 HydrophobicContact CG1-CE2 4.44Å; V257-F259 HydrophobicContact CG2-CB 3.93Å; V257-F259 HydrophobicContact CG2-CD1 4.49Å; V257-F259 HydrophobicContact CG2-CD2 3.65Å; V257-F259 HydrophobicContact CG2-CE2 4.29Å; V257-F259 HydrophobicContact CG2-CG 3.76Å; V257-F259 PolarHBondContact O-N 2.99Å; V257-L340 HydrophobicContact CG1-CD1 4.02Å; V257-F343 HydrophobicContact CG1-CB 3.86Å; V257-F343 HydrophobicContact CG1-CD2 4.38Å; V257-F343 HydrophobicContact CG1-CG 4.02Å; V257-F343 HydrophobicContact CG2-CD1 4.5Å; V257-F343 HydrophobicContact CG2-CD2 3.49Å; V257-F343 VanDerWaalsContact CG2-CD2 3.49Å; V257-F343 HydrophobicContact CG2-CE2 3.73Å; V257-F343 HydrophobicContact CG2-CG 3.92Å; V257-F343 HydrophobicContact CG2-CZ 4.35Å
258D91.1Very high92.4Very high116 Ų11635.9 Ų35.962%0.6218%0.18SC*.  trans-85.233175.5-72-60000112.6R297D258-R297 WeakPolarHBondContact OD1-CB 3.41Å; D258-R297 WeakPolarHBondContact OD1-CD 3.25Å; D258-R297 VanDerWaalsContact OD2-CD 3.31Å; D258-R297 WeakPolarHBondContact OD2-CD 3.28Å; D258-R297 IonicContact OD2-CZ 3.85Å; D258-R297 IonicContact OD2-NE 3.6Å; D258-R297 IonicContact OD2-NH1 2.91Å; D258-R297 PolarHBondContact OD2-NH1 3.35Å
259F92.4Very high92.3Very high52 Ų5234.9 Ų34.923%0.22817%0.173CC..  trans-81.3151.3-178.2-69.5-8.5000112.4V257 Q263 I264 L340 F343V257-F259 HydrophobicContact CB-CB 4.5Å; V257-F259 HydrophobicContact CB-CD1 4.24Å; V257-F259 HydrophobicContact CB-CD2 4.09Å; V257-F259 HydrophobicContact CB-CE2 4.39Å; V257-F259 HydrophobicContact CB-CG 4.01Å; V257-F259 HydrophobicContact CG1-CE2 4.44Å; V257-F259 HydrophobicContact CG2-CB 3.93Å; V257-F259 HydrophobicContact CG2-CD1 4.49Å; V257-F259 HydrophobicContact CG2-CD2 3.65Å; V257-F259 HydrophobicContact CG2-CE2 4.29Å; V257-F259 HydrophobicContact CG2-CG 3.76Å; V257-F259 PolarHBondContact O-N 2.99Å; F259-Q263 HydrophobicContact CB-CB 4.29Å; F259-Q263 HydrophobicContact CB-CG 4.3Å; F259-Q263 HydrophobicContact CD2-CG 4.09Å; F259-Q263 VanDerWaalsContact CG-CD 3.49Å; F259-Q263 HydrophobicContact CG-CG 4.2Å; F259-I264 HydrophobicContact CB-CD1 4.42Å; F259-I264 HydrophobicContact CB-CG1 3.92Å; F259-L340 HydrophobicContact CE2-CD1 3.92Å; F259-L340 HydrophobicContact CZ-CD1 3.59Å; F259-F343 HydrophobicContact CD2-CD1 4.47Å; F259-F343 AromaticContact CD2-CE1 3.93Å; F259-F343 HydrophobicContact CD2-CE1 3.93Å; F259-F343 HydrophobicContact CD2-CZ 4.01Å; F259-F343 HydrophobicContact CE2-CD1 4.2Å; F259-F343 AromaticContact CE2-CE1 3.91Å; F259-F343 HydrophobicContact CE2-CE1 3.91Å; F259-F343 HydrophobicContact CE2-CZ 4.46Å
260T91.8Very high92.1Very high87 Ų8736.2 Ų36.253%0.53418%0.179SC..  trans-70.4153.517365.90000111F262 Q263 I264T260-F262 PolarHBondContact O-N 3.15Å; T260-F262 VanDerWaalsContact O-N 3.16Å; T260-Q263 WeakPolarHBondContact O-CB 3.27Å; T260-Q263 PolarHBondContact O-N 3.21Å; T260-Q263 PolarHBondContact OG1-N 3.31Å; T260-I264 PolarHBondContact O-N 2.86Å
261D90.5Very high91.6Very high58 Ų5837 Ų3731%0.3119%0.187SC..Hα-helixtrans-55.2-35.8177-67.622.2000111.8K254 I264 Y265 L286K254-D261 VanDerWaalsContact CE-CG 3.46Å; K254-D261 WeakPolarHBondContact CE-OD1 3.49Å; K254-D261 IonicContact NZ-OD1 3.79Å; K254-D261 PolarHBondContact NZ-OD1 3.38Å; K254-D261 IonicContact NZ-OD2 2.84Å; K254-D261 PolarHBondContact NZ-OD2 2.97Å; D261-I264 PolarHBondContact O-N 2.82Å; D261-Y265 WeakPolarHBondContact O-CB 3.49Å; D261-Y265 PolarHBondContact O-N 3.37Å; D261-L286 HydrophobicContact CB-CD1 4.4Å
262F91.3Very high91.3Very high136 Ų13638.3 Ų38.360%0.59620%0.197SC*.Hα-helixtrans-65.3-42.3175.7-176.9-107.7000112.4T260 Y265 Q266T260-F262 PolarHBondContact O-N 3.15Å; T260-F262 VanDerWaalsContact O-N 3.16Å; F262-Y265 WeakPolarHBondContact O-CB 3.36Å; F262-Y265 PolarHBondContact O-N 2.86Å; F262-Q266 HydrophobicContact CD1-CG 4.43Å; F262-Q266 HydrophobicContact CE1-CG 4.07Å; F262-Q266 HydrophobicContact CE2-CG 4.4Å; F262-Q266 HydrophobicContact CZ-CG 4.05Å; F262-Q266 VanDerWaalsContact CZ-NE2 3.28Å; F262-Q266 WeakPolarHBondContact O-CG 3.33Å; F262-Q266 PolarHBondContact O-N 2.91Å
263Q91.2Very high90.9Very high64 Ų6442.3 Ų42.330%0.29922%0.216SC..Hα-helixtrans-66.8-43.5176.6-174.4178.8-0.400111.4F259 T260 Y265 Q266 E267F259-Q263 HydrophobicContact CB-CB 4.29Å; F259-Q263 HydrophobicContact CB-CG 4.3Å; F259-Q263 HydrophobicContact CD2-CG 4.09Å; F259-Q263 VanDerWaalsContact CG-CD 3.49Å; F259-Q263 HydrophobicContact CG-CG 4.2Å; T260-Q263 WeakPolarHBondContact O-CB 3.27Å; T260-Q263 PolarHBondContact O-N 3.21Å; T260-Q263 PolarHBondContact OG1-N 3.31Å; Q263-Y265 VanDerWaalsContact C-N 3.29Å; Q263-Y265 PolarHBondContact O-N 3.29Å; Q263-Q266 PolarHBondContact O-N 3.22Å; Q263-E267 WeakPolarHBondContact O-CG 3.23Å; Q263-E267 PolarHBondContact O-N 3.14Å
264I92.4Very high90.4Very high0 Ų049.7 Ų49.70%026%0.255CS..Hα-helixtrans-61.1-41.6174.7-61.7174.4000110.6L253 K254 F259 T260 D261 E267 L268 L286 F343L253-I264 HydrophobicContact CD1-CG2 4.21Å; K254-I264 HydrophobicContact CG-CD1 3.77Å; F259-I264 HydrophobicContact CB-CD1 4.42Å; F259-I264 HydrophobicContact CB-CG1 3.92Å; T260-I264 PolarHBondContact O-N 2.86Å; D261-I264 PolarHBondContact O-N 2.82Å; I264-E267 PolarHBondContact O-N 2.98Å; I264-L268 HydrophobicContact CG2-CD1 3.96Å; I264-L268 WeakPolarHBondContact O-CG 3.42Å; I264-L268 PolarHBondContact O-N 3.36Å; I264-L268 VanDerWaalsContact O-N 3.08Å; I264-L286 HydrophobicContact CG2-CD2 4.12Å; I264-F343 HydrophobicContact CB-CZ 4.47Å; I264-F343 HydrophobicContact CG1-CE2 3.98Å; I264-F343 HydrophobicContact CG1-CZ 4.1Å; I264-F343 HydrophobicContact CG2-CE2 4.18Å; I264-F343 HydrophobicContact CG2-CZ 4.39Å
265Y93.4Very high90.1Very high49 Ų4950.9 Ų50.919%0.19226%0.262CS..Hα-helixtrans-59-51.5175.9175.6-92.5000111.5D261 F262 Q263 E267 L268 I269 K279 V282 L286D261-Y265 WeakPolarHBondContact O-CB 3.49Å; D261-Y265 PolarHBondContact O-N 3.37Å; F262-Y265 WeakPolarHBondContact O-CB 3.36Å; F262-Y265 PolarHBondContact O-N 2.86Å; Q263-Y265 VanDerWaalsContact C-N 3.29Å; Q263-Y265 PolarHBondContact O-N 3.29Å; Y265-E267 VanDerWaalsContact C-N 3.34Å; Y265-E267 PolarHBondContact O-N 2.9Å; Y265-L268 PolarHBondContact O-N 3.04Å; Y265-I269 HydrophobicContact CD1-CD1 3.96Å; Y265-I269 HydrophobicContact CE1-CD1 3.43Å; Y265-I269 VanDerWaalsContact CE1-CD1 3.43Å; Y265-I269 HydrophobicContact CE1-CG1 4.41Å; Y265-I269 HydrophobicContact CE2-CG2 4.48Å; Y265-I269 WeakPolarHBondContact O-CG1 3.39Å; Y265-I269 PolarHBondContact O-N 3.48Å; Y265-I269 VanDerWaalsContact O-N 3.17Å; Y265-K279 WeakPolarHBondContact OH-CB 3.28Å; Y265-K279 WeakPolarHBondContact OH-CD 3.34Å; Y265-K279 WeakPolarHBondContact OH-CG 3.33Å; Y265-V282 HydrophobicContact CD2-CB 4.11Å; Y265-V282 HydrophobicContact CD2-CG1 3.58Å; Y265-V282 HydrophobicContact CE2-CB 4.33Å; Y265-V282 HydrophobicContact CE2-CG1 4.29Å; Y265-V282 HydrophobicContact CG-CG1 4.33Å; Y265-L286 HydrophobicContact CD2-CD1 4.44Å
266Q91.3Very high90Very high92 Ų9254.9 Ų54.943%0.4329%0.29SS..Hα-helixtrans-56.7-46.3178-76.5-175.8-39.500111.7F262 Q263 L268 I269 K270F262-Q266 HydrophobicContact CD1-CG 4.43Å; F262-Q266 HydrophobicContact CE1-CG 4.07Å; F262-Q266 HydrophobicContact CE2-CG 4.4Å; F262-Q266 HydrophobicContact CZ-CG 4.05Å; F262-Q266 VanDerWaalsContact CZ-NE2 3.28Å; F262-Q266 WeakPolarHBondContact O-CG 3.33Å; F262-Q266 PolarHBondContact O-N 2.91Å; Q263-Q266 PolarHBondContact O-N 3.22Å; Q266-L268 VanDerWaalsContact C-N 3.34Å; Q266-L268 PolarHBondContact O-N 3.36Å; Q266-I269 WeakPolarHBondContact O-CG1 3.39Å; Q266-I269 PolarHBondContact O-N 2.92Å; Q266-K270 WeakPolarHBondContact O-CG 3.43Å; Q266-K270 PolarHBondContact O-N 3.42Å; Q266-K270 VanDerWaalsContact O-N 3.13Å
267E91.4Very high89.8Confident21 Ų2157.7 Ų57.710%0.09830%0.302CS..Hα-helixtrans-61.6-39.6178.6-70.4-63.215500112.9Q263 I264 Y265 I269 K270 F343 Y344 R351Q263-E267 WeakPolarHBondContact O-CG 3.23Å; Q263-E267 PolarHBondContact O-N 3.14Å; I264-E267 PolarHBondContact O-N 2.98Å; Y265-E267 VanDerWaalsContact C-N 3.34Å; Y265-E267 PolarHBondContact O-N 2.9Å; E267-I269 VanDerWaalsContact C-N 3.34Å; E267-I269 PolarHBondContact O-N 2.68Å; E267-K270 VanDerWaalsContact CD-CE 3.41Å; E267-K270 VanDerWaalsContact OE1-CE 3.23Å; E267-K270 WeakPolarHBondContact OE1-CE 3.42Å; E267-K270 IonicContact OE1-NZ 3.39Å; E267-K270 PolarHBondContact OE1-NZ 2.97Å; E267-K270 WeakPolarHBondContact OE2-CD 3.49Å; E267-K270 WeakPolarHBondContact OE2-CE 3.37Å; E267-K270 IonicContact OE2-NZ 2.64Å; E267-K270 PolarHBondContact OE2-NZ 3.41Å; E267-F343 HydrophobicContact CB-CE1 4.22Å; E267-F343 HydrophobicContact CB-CZ 4.24Å; E267-F343 HydrophobicContact CG-CE1 4.06Å; E267-F343 HydrophobicContact CG-CZ 4.35Å; E267-Y344 HydrophobicContact CG-CE1 4.49Å; E267-R351 PolarHBondContact O-NH1 3.37Å
268L91.3Very high89.7Confident2 Ų257.3 Ų57.31%0.0130%0.299CS..Hα-helixtrans-71.2-27.3179.7-75.2168.7000113.5L253 I264 Y265 Q266 V282 M285 C347 T350 R351L253-L268 HydrophobicContact CD1-CD1 3.9Å; L253-L268 HydrophobicContact CD1-CD2 4.28Å; L253-L268 HydrophobicContact CD1-CG 4.49Å; I264-L268 HydrophobicContact CG2-CD1 3.96Å; I264-L268 WeakPolarHBondContact O-CG 3.42Å; I264-L268 PolarHBondContact O-N 3.36Å; I264-L268 VanDerWaalsContact O-N 3.08Å; Y265-L268 PolarHBondContact O-N 3.04Å; Q266-L268 VanDerWaalsContact C-N 3.34Å; Q266-L268 PolarHBondContact O-N 3.36Å; L268-V282 HydrophobicContact CB-CG1 4.02Å; L268-V282 HydrophobicContact CB-CG2 3.71Å; L268-V282 HydrophobicContact CD1-CG1 3.61Å; L268-V282 HydrophobicContact CD1-CG2 4.15Å; L268-V282 HydrophobicContact CG-CG1 4.47Å; L268-M285 HydrophobicContact CD1-CE 4.32Å; L268-C347 HydrophobicContact CD2-CB 4.12Å; L268-T350 HydrophobicContact CD2-CG2 3.91Å; L268-R351 VanDerWaalsContact O-CG 3.25Å; L268-R351 WeakPolarHBondContact O-CG 3.4Å
269I91.9Very high89.7Confident13 Ų1355.2 Ų55.27%0.06729%0.285CS..Hα-helixtrans-97.3-2.9-179.869170.5000114.3Y265 Q266 E267 G271 S272 E273 V282Y265-I269 HydrophobicContact CD1-CD1 3.96Å; Y265-I269 HydrophobicContact CE1-CD1 3.43Å; Y265-I269 VanDerWaalsContact CE1-CD1 3.43Å; Y265-I269 HydrophobicContact CE1-CG1 4.41Å; Y265-I269 HydrophobicContact CE2-CG2 4.48Å; Y265-I269 WeakPolarHBondContact O-CG1 3.39Å; Y265-I269 PolarHBondContact O-N 3.48Å; Y265-I269 VanDerWaalsContact O-N 3.17Å; Q266-I269 WeakPolarHBondContact O-CG1 3.39Å; Q266-I269 PolarHBondContact O-N 2.92Å; E267-I269 VanDerWaalsContact C-N 3.34Å; E267-I269 PolarHBondContact O-N 2.68Å; I269-G271 PolarHBondContact O-N 3.5Å; I269-S272 CarbonylContact O-C 3.5Å; I269-S272 VanDerWaalsContact O-C 3.26Å; I269-S272 WeakPolarHBondContact O-CA 3.34Å; I269-S272 PolarHBondContact O-N 3.4Å; I269-E273 HydrophobicContact CD1-CG 4.38Å; I269-E273 HydrophobicContact CG1-CG 4.38Å; I269-E273 PolarHBondContact O-N 2.91Å; I269-V282 HydrophobicContact CG2-CG2 4.17Å
270K88.6Confident89.6Confident29 Ų2957 Ų5713%0.12630%0.3CS..THydrogen-bonded Turntrans-47126.2-179.9-84.7-174177.6170.40112.3Q266 E267 S272 R351 F550Q266-K270 WeakPolarHBondContact O-CG 3.43Å; Q266-K270 PolarHBondContact O-N 3.42Å; Q266-K270 VanDerWaalsContact O-N 3.13Å; E267-K270 VanDerWaalsContact CD-CE 3.41Å; E267-K270 VanDerWaalsContact OE1-CE 3.23Å; E267-K270 WeakPolarHBondContact OE1-CE 3.42Å; E267-K270 IonicContact OE1-NZ 3.39Å; E267-K270 PolarHBondContact OE1-NZ 2.97Å; E267-K270 WeakPolarHBondContact OE2-CD 3.49Å; E267-K270 WeakPolarHBondContact OE2-CE 3.37Å; E267-K270 IonicContact OE2-NZ 2.64Å; E267-K270 PolarHBondContact OE2-NZ 3.41Å; K270-S272 PolarHBondContact O-N 2.99Å; K270-R351 WeakPolarHBondContact O-CD 3.21Å; K270-F550 HydrophobicContact CD-CE1 4.27Å; K270-F550 HydrophobicContact CD-CE2 4.4Å; K270-F550 HydrophobicContact CD-CZ 4.2Å; K270-F550 HydrophobicContact CG-CD2 4.43Å; K270-F550 HydrophobicContact CG-CE2 4.5Å
271G83.7Confident89.6Confident22 Ų2253.1 Ų53.123%0.22728%0.276CS..THydrogen-bonded Turntrans78.12.6-178.900000114.9I269 E273I269-G271 PolarHBondContact O-N 3.5Å; G271-E273 PolarHBondContact N-OE1 2.81Å; G271-E273 VanDerWaalsContact N-OE1 3.11Å
272S86.2Confident89.6Confident35 Ų3550.4 Ų50.425%0.24526%0.262CS..  trans-140.736.2173.5-68.40000110.5I269 K270 D274 N275I269-S272 CarbonylContact O-C 3.5Å; I269-S272 VanDerWaalsContact O-C 3.26Å; I269-S272 WeakPolarHBondContact O-CA 3.34Å; I269-S272 PolarHBondContact O-N 3.4Å; K270-S272 PolarHBondContact O-N 2.99Å; S272-D274 PolarHBondContact O-N 3.31Å; S272-N275 WeakPolarHBondContact O-CB 3.47Å; S272-N275 PolarHBondContact O-N 3.33Å
273E84.6Confident89.6Confident84 Ų8446.8 Ų46.839%0.39325%0.253SS..THydrogen-bonded Turntrans-63-23.8-174.3-70.7130.6-148.100113.3I269 G271 K279I269-E273 HydrophobicContact CD1-CG 4.38Å; I269-E273 HydrophobicContact CG1-CG 4.38Å; I269-E273 PolarHBondContact O-N 2.91Å; G271-E273 PolarHBondContact N-OE1 2.81Å; G271-E273 VanDerWaalsContact N-OE1 3.11Å; E273-K279 WeakPolarHBondContact O-CE 3.49Å; E273-K279 PolarHBondContact O-NZ 3.33Å
274D85Confident89.6Confident158 Ų15847.4 Ų47.485%0.84526%0.256SS*.THydrogen-bonded Turntrans-90.9-8.9177.4-63.9-40.3000113.4S272 S276S272-D274 PolarHBondContact O-N 3.31Å; D274-S276 PolarHBondContact O-N 2.85Å
275N86.6Confident89.6Confident36 Ų3647.8 Ų47.819%0.19326%0.258CS..  trans-85.1107.9-171.3-169.7-25.5000112.2S272 F277 Y278 K279S272-N275 WeakPolarHBondContact O-CB 3.47Å; S272-N275 PolarHBondContact O-N 3.33Å; N275-F277 PolarHBondContact O-N 3.18Å; N275-F277 VanDerWaalsContact O-N 3.16Å; N275-F277 WeakPolarHBondContact OD1-CB 3.33Å; N275-F277 PolarHBondContact OD1-N 3.49Å; N275-Y278 HydrophobicContact CB-CD2 3.86Å; N275-Y278 HydrophobicContact CB-CG 4.5Å; N275-Y278 VanDerWaalsContact CG-CD2 3.44Å; N275-Y278 VanDerWaalsContact ND2-CD2 3.3Å; N275-Y278 WeakPolarHBondContact ND2-CD2 3.45Å; N275-Y278 VanDerWaalsContact ND2-CE2 3.27Å; N275-Y278 WeakPolarHBondContact ND2-CE2 3.44Å; N275-Y278 PolarHBondContact O-N 2.93Å; N275-K279 PolarHBondContact O-N 2.76Å
276S89.8Confident89.5Confident84 Ų8446.3 Ų46.359%0.58725%0.253SS*.Hα-helixtrans-55.9-32.3179.5-173.90000113.8D274 K279 T280D274-S276 PolarHBondContact O-N 2.85Å; S276-K279 PolarHBondContact O-N 2.85Å; S276-T280 PolarHBondContact O-N 2.99Å; S276-T280 PolarHBondContact O-OG1 3.45Å
277F89.9Confident89.4Confident63 Ų6348.8 Ų48.828%0.27626%0.259SS..Hα-helixtrans-62.9-47.5179.8172.4-99.3000111.4Y228 N275 K279 T280 C281 F354Y228-F277 HydrophobicContact CE2-CZ 4.02Å; Y228-F277 AromaticContact CZ-CZ 3.88Å; Y228-F277 WeakPolarHBondContact OH-CE2 3.31Å; Y228-F277 WeakPolarHBondContact OH-CZ 3.31Å; N275-F277 PolarHBondContact O-N 3.18Å; N275-F277 VanDerWaalsContact O-N 3.16Å; N275-F277 WeakPolarHBondContact OD1-CB 3.33Å; N275-F277 PolarHBondContact OD1-N 3.49Å; F277-K279 VanDerWaalsContact C-N 3.33Å; F277-K279 PolarHBondContact O-N 2.88Å; F277-T280 PolarHBondContact O-N 3.06Å; F277-C281 PolarHBondContact O-N 2.93Å; F277-C281 PolarHBondContact O-SG 2.85Å; F277-C281 VanDerWaalsContact O-SG 3.38Å; F277-F354 HydrophobicContact CE1-CB 4.25Å; F277-F354 HydrophobicContact CE1-CG 4.47Å
278Y89.1Confident89.4Confident2 Ų250.4 Ų50.41%0.00827%0.267CS..Hα-helixtrans-63.2-43.2179.8-75.2-115.3000110.2N275 T280 C281 V282 F354 T355N275-Y278 HydrophobicContact CB-CD2 3.86Å; N275-Y278 HydrophobicContact CB-CG 4.5Å; N275-Y278 VanDerWaalsContact CG-CD2 3.44Å; N275-Y278 VanDerWaalsContact ND2-CD2 3.3Å; N275-Y278 WeakPolarHBondContact ND2-CD2 3.45Å; N275-Y278 VanDerWaalsContact ND2-CE2 3.27Å; N275-Y278 WeakPolarHBondContact ND2-CE2 3.44Å; N275-Y278 PolarHBondContact O-N 2.93Å; Y278-T280 PolarHBondContact O-N 3.11Å; Y278-C281 PolarHBondContact O-N 3.35Å; Y278-V282 WeakPolarHBondContact O-CB 3.08Å; Y278-V282 VanDerWaalsContact O-CG2 3.23Å; Y278-V282 WeakPolarHBondContact O-CG2 3.48Å; Y278-V282 PolarHBondContact O-N 2.76Å; Y278-F354 HydrophobicContact CD1-CB 4.06Å; Y278-F354 AromaticContact CD1-CD2 3.69Å; Y278-F354 HydrophobicContact CD1-CD2 3.69Å; Y278-F354 HydrophobicContact CD1-CG 4.36Å; Y278-F354 HydrophobicContact CE1-CB 3.5Å; Y278-F354 VanDerWaalsContact CE1-CB 3.5Å; Y278-F354 AromaticContact CE1-CD2 3.93Å; Y278-F354 HydrophobicContact CE1-CD2 3.93Å; Y278-F354 HydrophobicContact CE1-CG 4.24Å; Y278-F354 HydrophobicContact CE2-CB 4.29Å; Y278-F354 HydrophobicContact CG-CD2 4.36Å; Y278-T355 VanDerWaalsContact OH-CA 3.31Å; Y278-T355 WeakPolarHBondContact OH-CA 3.3Å; Y278-T355 PolarHBondContact OH-N 2.75Å; Y278-T355 VanDerWaalsContact OH-N 3.12Å; Y278-T355 PolarHBondContact OH-OG1 3.19Å
279K90.8Very high89.3Confident73 Ų7350.4 Ų50.432%0.31727%0.267SS..Hα-helixtrans-57.3-48.4177.1-63.3-171.8176.6167.70111.9Y265 E273 N275 S276 F277 S283Y265-K279 WeakPolarHBondContact OH-CB 3.28Å; Y265-K279 WeakPolarHBondContact OH-CD 3.34Å; Y265-K279 WeakPolarHBondContact OH-CG 3.33Å; E273-K279 WeakPolarHBondContact O-CE 3.49Å; E273-K279 PolarHBondContact O-NZ 3.33Å; N275-K279 PolarHBondContact O-N 2.76Å; S276-K279 PolarHBondContact O-N 2.85Å; F277-K279 VanDerWaalsContact C-N 3.33Å; F277-K279 PolarHBondContact O-N 2.88Å; K279-S283 WeakPolarHBondContact O-CB 3.45Å; K279-S283 PolarHBondContact O-N 3.11Å; K279-S283 PolarHBondContact O-OG 2.92Å
280T90.8Very high89.1Confident89 Ų8952.8 Ų52.855%0.54629%0.285SS..Hα-helixtrans-64.8-47.6-178.8-55.20000111.8S276 F277 Y278 V282 S283 E284S276-T280 PolarHBondContact O-N 2.99Å; S276-T280 PolarHBondContact O-OG1 3.45Å; F277-T280 PolarHBondContact O-N 3.06Å; Y278-T280 PolarHBondContact O-N 3.11Å; T280-V282 VanDerWaalsContact C-N 3.35Å; T280-V282 PolarHBondContact O-N 3.06Å; T280-S283 PolarHBondContact O-N 3.47Å; T280-E284 PolarHBondContact O-N 3.04Å
281C91.7Very high89.2Confident6 Ų657.5 Ų57.54%0.04131%0.308CS..Hα-helixtrans-59.5-43.8179.1-710000112.4G232 F277 Y278 E284 M285 F354G232-C281 VanDerWaalsContact O-CB 3.29Å; G232-C281 WeakPolarHBondContact O-CB 3.43Å; G232-C281 PolarHBondContact O-SG 3.18Å; F277-C281 PolarHBondContact O-N 2.93Å; F277-C281 PolarHBondContact O-SG 2.85Å; F277-C281 VanDerWaalsContact O-SG 3.38Å; Y278-C281 PolarHBondContact O-N 3.35Å; C281-E284 PolarHBondContact O-N 2.88Å; C281-M285 WeakPolarHBondContact O-CG 2.73Å; C281-M285 PolarHBondContact O-N 3.26Å; C281-F354 HydrophobicContact CB-CE1 4.17Å; C281-F354 HydrophobicContact CB-CE2 4.21Å; C281-F354 HydrophobicContact CB-CZ 3.78Å
282V90.7Very high89.5Confident0 Ų061.3 Ų61.30%032%0.319CS..Hα-helixtrans-69.4-42-179.81790000111.5Y265 L268 I269 Y278 T280 E284 M285 L286 F354Y265-V282 HydrophobicContact CD2-CB 4.11Å; Y265-V282 HydrophobicContact CD2-CG1 3.58Å; Y265-V282 HydrophobicContact CE2-CB 4.33Å; Y265-V282 HydrophobicContact CE2-CG1 4.29Å; Y265-V282 HydrophobicContact CG-CG1 4.33Å; L268-V282 HydrophobicContact CB-CG1 4.02Å; L268-V282 HydrophobicContact CB-CG2 3.71Å; L268-V282 HydrophobicContact CD1-CG1 3.61Å; L268-V282 HydrophobicContact CD1-CG2 4.15Å; L268-V282 HydrophobicContact CG-CG1 4.47Å; I269-V282 HydrophobicContact CG2-CG2 4.17Å; Y278-V282 WeakPolarHBondContact O-CB 3.08Å; Y278-V282 VanDerWaalsContact O-CG2 3.23Å; Y278-V282 WeakPolarHBondContact O-CG2 3.48Å; Y278-V282 PolarHBondContact O-N 2.76Å; T280-V282 VanDerWaalsContact C-N 3.35Å; T280-V282 PolarHBondContact O-N 3.06Å; V282-E284 VanDerWaalsContact C-N 3.31Å; V282-E284 PolarHBondContact O-N 3.07Å; V282-M285 HydrophobicContact CB-CE 4.44Å; V282-M285 HydrophobicContact CG2-CE 4.11Å; V282-M285 PolarHBondContact O-N 3.19Å; V282-L286 HydrophobicContact CG1-CD1 4.1Å; V282-L286 HydrophobicContact CG1-CG 4.49Å; V282-L286 WeakPolarHBondContact O-CG 3.31Å; V282-L286 PolarHBondContact O-N 2.65Å; V282-F354 HydrophobicContact CG2-CE2 4.07Å
283S91.3Very high89.4Confident60 Ų6061.5 Ų61.542%0.4233%0.327SS..Hα-helixtrans-58.9-42.6175.7-66.90000112.1K279 T280 L286 R287K279-S283 WeakPolarHBondContact O-CB 3.45Å; K279-S283 PolarHBondContact O-N 3.11Å; K279-S283 PolarHBondContact O-OG 2.92Å; T280-S283 PolarHBondContact O-N 3.47Å; S283-L286 PolarHBondContact O-N 2.93Å; S283-R287 VanDerWaalsContact O-CB 3.29Å; S283-R287 WeakPolarHBondContact O-CB 3.49Å; S283-R287 PolarHBondContact O-N 3.16Å
284E91Very high89.5Confident78 Ų7857.8 Ų57.836%0.36431%0.31SS..Hα-helixtrans-64.7-41.1178.4-165.864.2-163.200112T233 T280 C281 V282 L286 R287 M288T233-E284 HydrophobicContact CG2-CB 4.25Å; T233-E284 HydrophobicContact CG2-CG 3.79Å; T280-E284 PolarHBondContact O-N 3.04Å; C281-E284 PolarHBondContact O-N 2.88Å; V282-E284 VanDerWaalsContact C-N 3.31Å; V282-E284 PolarHBondContact O-N 3.07Å; E284-L286 PolarHBondContact O-N 3.22Å; E284-R287 PolarHBondContact O-N 3.02Å; E284-M288 PolarHBondContact O-N 3.2Å; E284-M288 VanDerWaalsContact O-N 3.12Å
285M92.2Very high89.4Confident8 Ų854.2 Ų54.24%0.03929%0.294CS..Hα-helixtrans-63.5-40.7176.3-72.5-170.3-63.300112.9T233 V234 L249 L268 C281 V282 T350 F354T233-M285 HydrophobicContact CG2-CG 4.06Å; V234-M285 HydrophobicContact CB-SD 3.84Å; V234-M285 HydrophobicContact CG2-SD 3.87Å; L249-M285 HydrophobicContact CB-SD 4.42Å; L249-M285 HydrophobicContact CD2-SD 4.12Å; L268-M285 HydrophobicContact CD1-CE 4.32Å; C281-M285 WeakPolarHBondContact O-CG 2.73Å; C281-M285 PolarHBondContact O-N 3.26Å; V282-M285 HydrophobicContact CB-CE 4.44Å; V282-M285 HydrophobicContact CG2-CE 4.11Å; V282-M285 PolarHBondContact O-N 3.19Å; M285-T350 HydrophobicContact CE-CG2 4.43Å; M285-F354 HydrophobicContact CE-CE2 4.34Å; M285-F354 HydrophobicContact CE-CZ 3.81Å
286L90.8Very high89.5Confident17 Ų1756 Ų569%0.08931%0.307CS..Hα-helixtrans-71.9-38.2178.5-68.2174000111.5D261 I264 Y265 V282 S283 E284 M288 V289 S290D261-L286 HydrophobicContact CB-CD1 4.4Å; I264-L286 HydrophobicContact CG2-CD2 4.12Å; Y265-L286 HydrophobicContact CD2-CD1 4.44Å; V282-L286 HydrophobicContact CG1-CD1 4.1Å; V282-L286 HydrophobicContact CG1-CG 4.49Å; V282-L286 WeakPolarHBondContact O-CG 3.31Å; V282-L286 PolarHBondContact O-N 2.65Å; S283-L286 PolarHBondContact O-N 2.93Å; E284-L286 PolarHBondContact O-N 3.22Å; L286-M288 VanDerWaalsContact C-N 3.35Å; L286-M288 PolarHBondContact O-N 3.45Å; L286-V289 PolarHBondContact O-N 3.24Å; L286-S290 PolarHBondContact O-N 3.03Å; L286-S290 VanDerWaalsContact O-N 3.17Å
287R91.1Very high89.6Confident145 Ų14555.2 Ų55.255%0.54729%0.291SS..Hα-helixtrans-58-45175.6-176.9179.5175.7165.34.4111.9S283 E284 V289 S290 E291S283-R287 VanDerWaalsContact O-CB 3.29Å; S283-R287 WeakPolarHBondContact O-CB 3.49Å; S283-R287 PolarHBondContact O-N 3.16Å; E284-R287 PolarHBondContact O-N 3.02Å; R287-V289 VanDerWaalsContact C-N 3.25Å; R287-V289 PolarHBondContact O-N 3.17Å; R287-S290 WeakPolarHBondContact O-CA 3.26Å; R287-S290 WeakPolarHBondContact O-CB 3.42Å; R287-S290 PolarHBondContact O-N 3.07Å; R287-E291 HydrophobicContact CG-CG 4.28Å; R287-E291 WeakPolarHBondContact CG-OE1 3.49Å; R287-E291 IonicContact CZ-OE1 3.96Å; R287-E291 IonicContact NE-OE1 3.01Å; R287-E291 PolarHBondContact NE-OE1 3.44Å; R287-E291 IonicContact NH2-OE1 3.56Å; R287-E291 WeakPolarHBondContact O-CG 3.2Å; R287-E291 PolarHBondContact O-N 3.1Å
288M89.9Confident89.7Confident55 Ų5555.1 Ų55.127%0.27130%0.298SS..Hα-helixtrans-55-39.1177.3-176.2-173.9-66.700112.9T233 P248 E284 L286T233-M288 HydrophobicContact CG2-CE 3.88Å; P248-M288 HydrophobicContact CB-SD 3.92Å; P248-M288 HydrophobicContact CG-SD 4.3Å; E284-M288 PolarHBondContact O-N 3.2Å; E284-M288 VanDerWaalsContact O-N 3.12Å; L286-M288 VanDerWaalsContact C-N 3.35Å; L286-M288 PolarHBondContact O-N 3.45Å
289V89.7Confident89.8Confident1 Ų160.3 Ų60.31%0.00632%0.32CS..Hα-helixtrans-73.9-34.6178.4-172.40000111.5G250 F251 K254 L286 R287 C294 V300G250-V289 VanDerWaalsContact C-CG2 3.44Å; F251-V289 HydrophobicContact CD1-CG1 3.97Å; F251-V289 HydrophobicContact CD1-CG2 4.42Å; F251-V289 HydrophobicContact CD2-CG2 4.14Å; F251-V289 HydrophobicContact CE1-CB 4.45Å; F251-V289 HydrophobicContact CE1-CG1 3.83Å; F251-V289 HydrophobicContact CE1-CG2 4.48Å; F251-V289 HydrophobicContact CE2-CG2 4.18Å; F251-V289 HydrophobicContact CG-CG2 4.24Å; F251-V289 HydrophobicContact CZ-CB 4.45Å; F251-V289 HydrophobicContact CZ-CG1 4.31Å; F251-V289 HydrophobicContact CZ-CG2 4.34Å; K254-V289 HydrophobicContact CD-CB 4.32Å; K254-V289 HydrophobicContact CD-CG1 3.72Å; L286-V289 PolarHBondContact O-N 3.24Å; R287-V289 VanDerWaalsContact C-N 3.25Å; R287-V289 PolarHBondContact O-N 3.17Å; V289-C294 HydrophobicContact CG1-CB 3.77Å; V289-C294 PolarHBondContact O-N 2.96Å; V289-V300 HydrophobicContact CG1-CG2 4.47Å
290S88.4Confident89.9Confident64 Ų6456.8 Ų56.845%0.44831%0.305SS..Hα-helixtrans-69.5-35.5176.9-1690000112.7L286 R287 E292 G293L286-S290 PolarHBondContact O-N 3.03Å; L286-S290 VanDerWaalsContact O-N 3.17Å; R287-S290 WeakPolarHBondContact O-CA 3.26Å; R287-S290 WeakPolarHBondContact O-CB 3.42Å; R287-S290 PolarHBondContact O-N 3.07Å; S290-E292 VanDerWaalsContact C-N 3.29Å; S290-E292 PolarHBondContact O-N 3.27Å; S290-G293 PolarHBondContact O-N 3.47Å; S290-G293 VanDerWaalsContact O-N 3.09Å
291E90.4Very high90Very high128 Ų12853 Ų5360%0.59828%0.281SS*.Hα-helixtrans-65.2-32.3178.3-74.8176.3174.600112.3R287 G293R287-E291 HydrophobicContact CG-CG 4.28Å; R287-E291 WeakPolarHBondContact CG-OE1 3.49Å; R287-E291 IonicContact CZ-OE1 3.96Å; R287-E291 IonicContact NE-OE1 3.01Å; R287-E291 PolarHBondContact NE-OE1 3.44Å; R287-E291 IonicContact NH2-OE1 3.56Å; R287-E291 WeakPolarHBondContact O-CG 3.2Å; R287-E291 PolarHBondContact O-N 3.1Å; E291-G293 PolarHBondContact O-N 3.44Å
292E88.7Confident90.1Very high101 Ų10156.1 Ų56.147%0.47230%0.298SS..THydrogen-bonded Turntrans-81.89.6174.1-67.2-83.3143.300112.9F251 S290 C294 Y303 R307F251-E292 HydrophobicContact CE1-CB 4.37Å; F251-E292 HydrophobicContact CZ-CB 3.98Å; F251-E292 HydrophobicContact CZ-CG 3.97Å; S290-E292 VanDerWaalsContact C-N 3.29Å; S290-E292 PolarHBondContact O-N 3.27Å; E292-C294 PolarHBondContact O-N 3.16Å; E292-Y303 WeakPolarHBondContact OE2-CE2 3.48Å; E292-Y303 PolarHBondContact OE2-OH 3.48Å; E292-R307 IonicContact OE2-NH2 2.82Å
293G85.6Confident90.1Very high40 Ų4058 Ų5841%0.41231%0.305SS..THydrogen-bonded Turntrans70.811.4176.100000115.2S290 E291 T295S290-G293 PolarHBondContact O-N 3.47Å; S290-G293 VanDerWaalsContact O-N 3.09Å; E291-G293 PolarHBondContact O-N 3.44Å; G293-T295 PolarHBondContact O-N 3.4Å; G293-T295 VanDerWaalsContact O-N 3.15Å
294C86.3Confident90.2Very high5 Ų555.3 Ų55.33%0.03429%0.286CS..  trans-88.771-175.5-71.70000111.7F251 V289 E292 V300F251-C294 HydrophobicContact CE1-CB 4.09Å; V289-C294 HydrophobicContact CG1-CB 3.77Å; V289-C294 PolarHBondContact O-N 2.96Å; E292-C294 PolarHBondContact O-N 3.16Å; C294-V300 HydrophobicContact CB-CG2 3.73Å
295T83.7Confident90.2Very high83 Ų8351.6 Ų51.651%0.50927%0.269SS..  trans-84.4-26.5-175.255.20000114.7G293G293-T295 PolarHBondContact O-N 3.4Å; G293-T295 VanDerWaalsContact O-N 3.15Å
296T88.3Confident90.1Very high74 Ų7457.5 Ų57.545%0.45430%0.296SS..SBendtrans-117.6154.6-179.260.20000111.1S298 K299 V300T296-S298 VanDerWaalsContact C-N 3.32Å; T296-S298 PolarHBondContact O-N 2.86Å; T296-K299 PolarHBondContact O-N 2.89Å; T296-K299 VanDerWaalsContact O-N 3.15Å; T296-K299 WeakPolarHBondContact OG1-CG 3.43Å; T296-V300 WeakPolarHBondContact O-CG2 3.47Å; T296-V300 PolarHBondContact O-N 3.14Å; T296-V300 VanDerWaalsContact O-N 3.07Å
297R92Very high90.1Very high67 Ų6764.1 Ų64.125%0.25332%0.32SS..Hα-helixtrans-55.4-44.6178.8-177.5-177174.6-152-2.7112.7A255 D258 K299 V300 L301 D339A255-R297 PolarHBondContact O-NE 3.26Å; A255-R297 VanDerWaalsContact O-NE 3.09Å; D258-R297 WeakPolarHBondContact OD1-CB 3.41Å; D258-R297 WeakPolarHBondContact OD1-CD 3.25Å; D258-R297 VanDerWaalsContact OD2-CD 3.31Å; D258-R297 WeakPolarHBondContact OD2-CD 3.28Å; D258-R297 IonicContact OD2-CZ 3.85Å; D258-R297 IonicContact OD2-NE 3.6Å; D258-R297 IonicContact OD2-NH1 2.91Å; D258-R297 PolarHBondContact OD2-NH1 3.35Å; R297-K299 VanDerWaalsContact C-N 3.34Å; R297-K299 PolarHBondContact O-N 3.39Å; R297-V300 WeakPolarHBondContact O-CB 3.49Å; R297-V300 PolarHBondContact O-N 3.01Å; R297-V300 VanDerWaalsContact O-N 3.13Å; R297-L301 HydrophobicContact CG-CD1 4.01Å; R297-L301 HydrophobicContact CG-CG 4.25Å; R297-L301 WeakPolarHBondContact O-CG 3.18Å; R297-L301 PolarHBondContact O-N 3.49Å; R297-D339 IonicContact NH2-OD2 3.97Å
298S91.3Very high90Very high61 Ų6158.5 Ų58.543%0.42730%0.3SS..Hα-helixtrans-57.6-44.1177.8169.90000112.1T296 V300 L301 D302 E321T296-S298 VanDerWaalsContact C-N 3.32Å; T296-S298 PolarHBondContact O-N 2.86Å; S298-V300 PolarHBondContact O-N 2.81Å; S298-L301 PolarHBondContact O-N 3.15Å; S298-D302 WeakPolarHBondContact O-CB 3.43Å; S298-D302 PolarHBondContact O-N 3.21Å; S298-E321 WeakPolarHBondContact CB-OE1 3.36Å; S298-E321 PolarHBondContact OG-OE1 2.68Å
299K91.4Very high89.8Confident111 Ų11159.3 Ų59.348%0.48330%0.3SS..Hα-helixtrans-63.5-39.9175.2-73.1-177.4176.2-174.50112.6T296 R297 D302 Y303T296-K299 PolarHBondContact O-N 2.89Å; T296-K299 VanDerWaalsContact O-N 3.15Å; T296-K299 WeakPolarHBondContact OG1-CG 3.43Å; R297-K299 VanDerWaalsContact C-N 3.34Å; R297-K299 PolarHBondContact O-N 3.39Å; K299-D302 PolarHBondContact O-N 2.85Å; K299-Y303 WeakPolarHBondContact O-CB 3.38Å; K299-Y303 PolarHBondContact O-N 2.91Å
300V92.3Very high89.5Confident0 Ų065.3 Ų65.30%034%0.336CS..Hα-helixtrans-63.9-43.7175.8175.90000110.7F251 K254 A255 V289 C294 T296 R297 S298 Y303 L304F251-V300 HydrophobicContact CD1-CG1 4.3Å; F251-V300 WeakPolarHBondContact O-CG1 3.47Å; K254-V300 HydrophobicContact CB-CG2 4.06Å; A255-V300 HydrophobicContact CB-CG1 3.79Å; V289-V300 HydrophobicContact CG1-CG2 4.47Å; C294-V300 HydrophobicContact CB-CG2 3.73Å; T296-V300 WeakPolarHBondContact O-CG2 3.47Å; T296-V300 PolarHBondContact O-N 3.14Å; T296-V300 VanDerWaalsContact O-N 3.07Å; R297-V300 WeakPolarHBondContact O-CB 3.49Å; R297-V300 PolarHBondContact O-N 3.01Å; R297-V300 VanDerWaalsContact O-N 3.13Å; S298-V300 PolarHBondContact O-N 2.81Å; V300-Y303 PolarHBondContact O-N 3.35Å; V300-L304 HydrophobicContact CG1-CD1 4.13Å; V300-L304 HydrophobicContact CG1-CG 4.46Å; V300-L304 WeakPolarHBondContact O-CG 3.37Å; V300-L304 PolarHBondContact O-N 3.21Å
301L93.3Very high89.2Confident8 Ų867 Ų674%0.04234%0.335CS..Hα-helixtrans-64.6-40.4177.7-69.9174.5000111.5A255 R297 S298 L304 G305 E321 A324 L328A255-L301 HydrophobicContact CB-CD2 4.14Å; R297-L301 HydrophobicContact CG-CD1 4.01Å; R297-L301 HydrophobicContact CG-CG 4.25Å; R297-L301 WeakPolarHBondContact O-CG 3.18Å; R297-L301 PolarHBondContact O-N 3.49Å; S298-L301 PolarHBondContact O-N 3.15Å; L301-L304 PolarHBondContact O-N 3.3Å; L301-G305 PolarHBondContact O-N 2.97Å; L301-E321 HydrophobicContact CB-CB 4.43Å; L301-E321 HydrophobicContact CB-CG 4.15Å; L301-A324 HydrophobicContact CB-CB 4.08Å; L301-A324 HydrophobicContact CD2-CB 3.72Å; L301-A324 WeakPolarHBondContact O-CB 3.47Å; L301-L328 HydrophobicContact CD2-CD1 3.83Å
302D93.3Very high88.6Confident73 Ų7361.3 Ų61.339%0.3931%0.309SS..Hα-helixtrans-62.8-47.2175.5-165.729.8000111.2S298 K299 L304 G305 E306 N320S298-D302 WeakPolarHBondContact O-CB 3.43Å; S298-D302 PolarHBondContact O-N 3.21Å; K299-D302 PolarHBondContact O-N 2.85Å; D302-L304 PolarHBondContact O-N 3.21Å; D302-G305 PolarHBondContact O-N 2.87Å; D302-E306 PolarHBondContact O-N 2.95Å; D302-N320 WeakPolarHBondContact OD1-CB 3.48Å; D302-N320 PolarHBondContact OD1-ND2 3.43Å
303Y92.1Very high88Confident40 Ų4061 Ų6116%0.15732%0.318CS..Hα-helixtrans-58.1-44.9176.7-178.4-91000113.1F251 E292 K299 V300 R307F251-Y303 HydrophobicContact CD1-CD1 4.22Å; F251-Y303 HydrophobicContact CD1-CE1 4.27Å; F251-Y303 HydrophobicContact CE1-CD1 4.07Å; F251-Y303 AromaticContact CE1-CE1 3.88Å; F251-Y303 HydrophobicContact CE1-CE1 3.88Å; F251-Y303 HydrophobicContact CZ-CE1 4.19Å; E292-Y303 WeakPolarHBondContact OE2-CE2 3.48Å; E292-Y303 PolarHBondContact OE2-OH 3.48Å; K299-Y303 WeakPolarHBondContact O-CB 3.38Å; K299-Y303 PolarHBondContact O-N 2.91Å; V300-Y303 PolarHBondContact O-N 3.35Å; Y303-R307 VanDerWaalsContact CZ-NH2 3.33Å; Y303-R307 PolarHBondContact OH-NH1 3.41Å; Y303-R307 PolarHBondContact OH-NH2 3.1Å
304L91.9Very high87.8Confident3 Ų360.2 Ų60.22%0.01631%0.305CS..Hα-helixtrans-69.1-41176.5-68.1177.8000111.4L247 F251 A255 V300 L301 D302 R307 F308 A324L247-L304 HydrophobicContact CD1-CD2 3.5Å; L247-L304 VanDerWaalsContact CD1-CD2 3.5Å; F251-L304 HydrophobicContact CB-CD2 4.43Å; A255-L304 HydrophobicContact CB-CD1 3.85Å; V300-L304 HydrophobicContact CG1-CD1 4.13Å; V300-L304 HydrophobicContact CG1-CG 4.46Å; V300-L304 WeakPolarHBondContact O-CG 3.37Å; V300-L304 PolarHBondContact O-N 3.21Å; L301-L304 PolarHBondContact O-N 3.3Å; D302-L304 PolarHBondContact O-N 3.21Å; L304-R307 PolarHBondContact O-N 3.46Å; L304-F308 HydrophobicContact CD2-CE2 4.18Å; L304-F308 WeakPolarHBondContact O-CD2 3.38Å; L304-F308 PolarHBondContact O-N 3.48Å; L304-A324 HydrophobicContact CB-CB 4.09Å
305G90.9Very high87.7Confident0 Ų061.4 Ų61.40%031%0.313CS..Hα-helixtrans-58.3-50.3179.100000112.1L301 D302 R307 F308 R309 N320L301-G305 PolarHBondContact O-N 2.97Å; D302-G305 PolarHBondContact O-N 2.87Å; G305-R307 VanDerWaalsContact C-N 3.34Å; G305-R307 PolarHBondContact O-N 3.14Å; G305-F308 PolarHBondContact O-N 3.46Å; G305-R309 VanDerWaalsContact O-CB 3.27Å; G305-R309 WeakPolarHBondContact O-CB 3.25Å; G305-R309 PolarHBondContact O-N 2.65Å; G305-N320 VanDerWaalsContact CA-O 3.25Å; G305-N320 WeakPolarHBondContact CA-O 3.38Å
306E90.6Very high87.5Confident132 Ų13265.9 Ų65.962%0.61733%0.328SS*.Hα-helixtrans-55.2-46.4179.8-172.8-177.4-176.100112.1D302D302-E306 PolarHBondContact O-N 2.95Å
307R90.2Very high87.3Confident155 Ų15567.2 Ų67.259%0.58533%0.325SS*.Hα-helixtrans-76.2-36.6-175.7-66.3-174.5179.1-154.60.7113.9E292 Y303 L304 G305E292-R307 IonicContact OE2-NH2 2.82Å; Y303-R307 VanDerWaalsContact CZ-NH2 3.33Å; Y303-R307 PolarHBondContact OH-NH1 3.41Å; Y303-R307 PolarHBondContact OH-NH2 3.1Å; L304-R307 PolarHBondContact O-N 3.46Å; G305-R307 VanDerWaalsContact C-N 3.34Å; G305-R307 PolarHBondContact O-N 3.14Å
308F89.2Confident87.1Confident28 Ų2867.2 Ų67.212%0.12333%0.325CS..Hα-helixtrans-92.6-12.9-175-74.7-83.4000114.1F238 F245 L304 G305 V310 K311 L312 L327F238-F308 HydrophobicContact CZ-CE1 4.17Å; F245-F308 HydrophobicContact CB-CE1 4.24Å; F245-F308 HydrophobicContact CD1-CD1 4.3Å; F245-F308 AromaticContact CD1-CE1 3.8Å; F245-F308 HydrophobicContact CD1-CE1 3.8Å; F245-F308 HydrophobicContact CG-CE1 4.25Å; L304-F308 HydrophobicContact CD2-CE2 4.18Å; L304-F308 WeakPolarHBondContact O-CD2 3.38Å; L304-F308 PolarHBondContact O-N 3.48Å; G305-F308 PolarHBondContact O-N 3.46Å; F308-V310 PolarHBondContact O-N 3.01Å; F308-K311 PolarHBondContact O-N 3.03Å; F308-K311 VanDerWaalsContact O-N 3.13Å; F308-L312 HydrophobicContact CB-CD1 3.79Å; F308-L312 HydrophobicContact CB-CG 4.31Å; F308-L312 WeakPolarHBondContact O-CG 3.44Å; F308-L312 PolarHBondContact O-N 3.1Å; F308-L312 VanDerWaalsContact O-N 3.12Å; F308-L327 HydrophobicContact CB-CD2 4.38Å; F308-L327 HydrophobicContact CD1-CD1 4.26Å; F308-L327 HydrophobicContact CD1-CD2 4.39Å; F308-L327 HydrophobicContact CD2-CD2 3.74Å; F308-L327 HydrophobicContact CE2-CD2 4.07Å; F308-L327 HydrophobicContact CG-CD1 4.43Å; F308-L327 HydrophobicContact CG-CD2 3.92Å
309R86.9Confident87.1Confident71 Ų7167.7 Ų67.727%0.26833%0.326SS..Hα-helixtrans-49.3-48.9-177.4-174-178-168.2105.48114G305 K311 L312 V314 E316 Y318 N320G305-R309 VanDerWaalsContact O-CB 3.27Å; G305-R309 WeakPolarHBondContact O-CB 3.25Å; G305-R309 PolarHBondContact O-N 2.65Å; R309-K311 PolarHBondContact O-N 3.5Å; R309-L312 PolarHBondContact O-N 2.94Å; R309-V314 HydrophobicContact CG-CG2 4.25Å; R309-E316 PolarHBondContact NH2-O 3.03Å; R309-Y318 VanDerWaalsContact CZ-O 3.23Å; R309-Y318 PolarHBondContact NH1-O 2.95Å; R309-Y318 PolarHBondContact NH2-O 3.15Å; R309-N320 PolarHBondContact NH1-OD1 2.9Å
310V83.1Confident87.1Confident127 Ų12764.4 Ų64.477%0.7731%0.313SS*.Hα-helixtrans-61-35.1-175-178.10000111.7F308F308-V310 PolarHBondContact O-N 3.01Å
311K81.7Confident87Confident99 Ų9967.8 Ų67.843%0.4333%0.329SS..Hα-helixtrans-90.5-30.1-174.5-75.8-71.8-171.3163.20113.6E243 F245 F308 R309 S313E243-K311 VanDerWaalsContact CD-NZ 3.31Å; E243-K311 IonicContact OE1-NZ 3.16Å; E243-K311 PolarHBondContact OE1-NZ 2.59Å; E243-K311 WeakPolarHBondContact OE2-CE 3.25Å; E243-K311 IonicContact OE2-NZ 2.88Å; E243-K311 PolarHBondContact OE2-NZ 2.76Å; F245-K311 HydrophobicContact CE1-CB 4.17Å; F245-K311 HydrophobicContact CE1-CG 4.14Å; F245-K311 HydrophobicContact CZ-CB 4.15Å; F245-K311 HydrophobicContact CZ-CD 4.45Å; F245-K311 HydrophobicContact CZ-CG 4.32Å; F308-K311 PolarHBondContact O-N 3.03Å; F308-K311 VanDerWaalsContact O-N 3.13Å; R309-K311 PolarHBondContact O-N 3.5Å; K311-S313 PolarHBondContact O-N 2.86Å
312L78.9Confident86.9Confident10 Ų1071.8 Ų71.85%0.05235%0.348CS..Hα-helixtrans-72.9-9.7-178.6-67.3169.6000113.6Y240 F308 R309 V314 F326 L327Y240-L312 HydrophobicContact CD1-CD2 4.36Å; Y240-L312 HydrophobicContact CE1-CD2 4.01Å; F308-L312 HydrophobicContact CB-CD1 3.79Å; F308-L312 HydrophobicContact CB-CG 4.31Å; F308-L312 WeakPolarHBondContact O-CG 3.44Å; F308-L312 PolarHBondContact O-N 3.1Å; F308-L312 VanDerWaalsContact O-N 3.12Å; R309-L312 PolarHBondContact O-N 2.94Å; L312-V314 HydrophobicContact CB-CG1 3.99Å; L312-V314 PolarHBondContact O-N 3.21Å; L312-V314 VanDerWaalsContact O-N 3.16Å; L312-F326 HydrophobicContact CB-CD1 4.37Å; L312-F326 HydrophobicContact CB-CE1 4.5Å; L312-F326 HydrophobicContact CD1-CD1 4.36Å; L312-F326 HydrophobicContact CD2-CD1 4.24Å; L312-F326 HydrophobicContact CD2-CE1 4.29Å; L312-L327 HydrophobicContact CD1-CB 3.93Å; L312-L327 HydrophobicContact CD1-CD1 4.18Å; L312-L327 HydrophobicContact CD2-CD1 4.04Å
313S74.9Confident86.7Confident95 Ų9568.3 Ų68.366%0.66433%0.329SS*.THydrogen-bonded Turntrans53.332.4179.2-56.20000113.2K311K311-S313 PolarHBondContact O-N 2.86Å
314V81.9Confident86.7Confident22 Ų2266.5 Ų66.513%0.13332%0.322CS..  trans-72.8158.5175.3-690000111.1R309 L312 Y318 C323 F326R309-V314 HydrophobicContact CG-CG2 4.25Å; L312-V314 HydrophobicContact CB-CG1 3.99Å; L312-V314 PolarHBondContact O-N 3.21Å; L312-V314 VanDerWaalsContact O-N 3.16Å; V314-Y318 HydrophobicContact CB-CD2 4.28Å; V314-C323 HydrophobicContact CG2-CB 4.42Å; V314-C323 WeakPolarHBondContact CG2-SG 3.35Å; V314-F326 HydrophobicContact CG1-CD1 3.99Å; V314-F326 HydrophobicContact CG1-CE1 4.38Å; V314-F326 HydrophobicContact CG1-CG 4.14Å
315P83Confident86.7Confident30 Ų3068.8 Ų68.820%0.19533%0.334CS..  trans-59.7146177.8-23.234000113.7W317 Y318P315-W317 HydrophobicContact CB-CD2 3.75Å; P315-W317 VanDerWaalsContact CB-CE2 3.4Å; P315-W317 HydrophobicContact CB-CE3 3.97Å; P315-W317 HydrophobicContact CB-CG 4.47Å; P315-W317 HydrophobicContact CB-CH2 3.63Å; P315-W317 HydrophobicContact CB-CZ2 3.36Å; P315-W317 HydrophobicContact CB-CZ3 3.91Å; P315-W317 HydrophobicContact CG-CH2 4.36Å; P315-W317 HydrophobicContact CG-CZ2 3.91Å; P315-W317 PolarHBondContact O-N 3.07Å; P315-W317 VanDerWaalsContact O-N 3.11Å; P315-Y318 HydrophobicContact CB-CD1 3.91Å; P315-Y318 HydrophobicContact CB-CE1 4.13Å; P315-Y318 HydrophobicContact CG-CD1 3.98Å; P315-Y318 HydrophobicContact CG-CE1 3.77Å; P315-Y318 WeakPolarHBondContact O-CB 3.23Å; P315-Y318 PolarHBondContact O-N 3.23Å; P315-Y318 VanDerWaalsContact O-N 3.07Å
316E80.3Confident86.7Confident177 Ų17771.3 Ų71.383%0.82735%0.345SS*.THydrogen-bonded Turntrans-63.2-20.8-175.2-69.4-178.8179.400114.4R309R309-E316 PolarHBondContact NH2-O 3.03Å
317W84.8Confident86.7Confident103 Ų10365 Ų6539%0.3932%0.316SS..THydrogen-bonded Turntrans-90.1-1.3178.358.983000113.9E65 M67 P315E65-W317 HydrophobicContact CB-CH2 4.19Å; E65-W317 HydrophobicContact CB-CZ2 3.66Å; E65-W317 PolarHBondContact OE2-NE1 3.27Å; M67-W317 HydrophobicContact CG-CE3 4.43Å; M67-W317 HydrophobicContact CG-CH2 4.42Å; M67-W317 HydrophobicContact CG-CZ3 3.76Å; M67-W317 HydrophobicContact SD-CZ3 4.43Å; P315-W317 HydrophobicContact CB-CD2 3.75Å; P315-W317 VanDerWaalsContact CB-CE2 3.4Å; P315-W317 HydrophobicContact CB-CE3 3.97Å; P315-W317 HydrophobicContact CB-CG 4.47Å; P315-W317 HydrophobicContact CB-CH2 3.63Å; P315-W317 HydrophobicContact CB-CZ2 3.36Å; P315-W317 HydrophobicContact CB-CZ3 3.91Å; P315-W317 HydrophobicContact CG-CH2 4.36Å; P315-W317 HydrophobicContact CG-CZ2 3.91Å; P315-W317 PolarHBondContact O-N 3.07Å; P315-W317 VanDerWaalsContact O-N 3.11Å
318Y86.4Confident86.8Confident66 Ų6657.7 Ų57.726%0.25929%0.288SS..  trans-67.9139175.9-86.531.7000110R309 V314 P315 Q322R309-Y318 VanDerWaalsContact CZ-O 3.23Å; R309-Y318 PolarHBondContact NH1-O 2.95Å; R309-Y318 PolarHBondContact NH2-O 3.15Å; V314-Y318 HydrophobicContact CB-CD2 4.28Å; P315-Y318 HydrophobicContact CB-CD1 3.91Å; P315-Y318 HydrophobicContact CB-CE1 4.13Å; P315-Y318 HydrophobicContact CG-CD1 3.98Å; P315-Y318 HydrophobicContact CG-CE1 3.77Å; P315-Y318 WeakPolarHBondContact O-CB 3.23Å; P315-Y318 PolarHBondContact O-N 3.23Å; P315-Y318 VanDerWaalsContact O-N 3.07Å; Y318-Q322 HydrophobicContact CD2-CB 3.91Å; Y318-Q322 HydrophobicContact CG-CB 4.26Å
319T91.6Very high86.8Confident72 Ų7259.6 Ų59.644%0.44230%0.3SS..  trans-69.8159.517066.80000110E321 Q322 C323T319-E321 PolarHBondContact O-N 2.95Å; T319-Q322 WeakPolarHBondContact O-CB 3.39Å; T319-Q322 PolarHBondContact O-N 3.37Å; T319-Q322 VanDerWaalsContact O-N 3.13Å; T319-Q322 WeakPolarHBondContact OG1-CG 3.1Å; T319-Q322 PolarHBondContact OG1-N 3.2Å; T319-C323 PolarHBondContact O-N 3.25Å; T319-C323 PolarHBondContact O-SG 3.17Å
320N91.3Very high86.9Confident41 Ų4158.6 Ų58.622%0.21930%0.298CS..Hα-helixtrans-59-39.9176.2-69.3-17.2000111.3D302 G305 R309 Q322 C323 A324D302-N320 WeakPolarHBondContact OD1-CB 3.48Å; D302-N320 PolarHBondContact OD1-ND2 3.43Å; G305-N320 VanDerWaalsContact CA-O 3.25Å; G305-N320 WeakPolarHBondContact CA-O 3.38Å; R309-N320 PolarHBondContact NH1-OD1 2.9Å; N320-Q322 VanDerWaalsContact C-N 3.34Å; N320-Q322 PolarHBondContact O-N 2.75Å; N320-C323 WeakPolarHBondContact O-CA 3.39Å; N320-C323 WeakPolarHBondContact O-CB 3.1Å; N320-C323 PolarHBondContact O-N 2.85Å; N320-C323 VanDerWaalsContact O-N 3.08Å; N320-A324 PolarHBondContact O-N 3.07Å
321E90.9Very high87.2Confident72 Ų7252.6 Ų52.634%0.33626%0.262SS..Hα-helixtrans-59.3-41.6173.8-64.1-173.1153.700112.8S298 L301 T319 C323 A324 N325S298-E321 WeakPolarHBondContact CB-OE1 3.36Å; S298-E321 PolarHBondContact OG-OE1 2.68Å; L301-E321 HydrophobicContact CB-CB 4.43Å; L301-E321 HydrophobicContact CB-CG 4.15Å; T319-E321 PolarHBondContact O-N 2.95Å; E321-C323 VanDerWaalsContact C-N 3.32Å; E321-C323 PolarHBondContact O-N 2.89Å; E321-A324 PolarHBondContact O-N 2.83Å; E321-N325 WeakPolarHBondContact O-CB 2.91Å; E321-N325 PolarHBondContact O-N 3.16Å; E321-N325 PolarHBondContact O-ND2 3.36Å
322Q90.3Very high87.8Confident92 Ų9247.9 Ų47.943%0.4324%0.242SC..Hα-helixtrans-64.5-37.2174.8-73.5171.3-20.100111.9Y318 T319 N320 N325 F326Y318-Q322 HydrophobicContact CD2-CB 3.91Å; Y318-Q322 HydrophobicContact CG-CB 4.26Å; T319-Q322 WeakPolarHBondContact O-CB 3.39Å; T319-Q322 PolarHBondContact O-N 3.37Å; T319-Q322 VanDerWaalsContact O-N 3.13Å; T319-Q322 WeakPolarHBondContact OG1-CG 3.1Å; T319-Q322 PolarHBondContact OG1-N 3.2Å; N320-Q322 VanDerWaalsContact C-N 3.34Å; N320-Q322 PolarHBondContact O-N 2.75Å; Q322-N325 PolarHBondContact O-N 2.92Å; Q322-F326 PolarHBondContact O-N 3.44Å
323C90.4Very high88.4Confident0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-64.2-43.2174.7-59.50000111.5V314 T319 N320 E321 F326 L327V314-C323 HydrophobicContact CG2-CB 4.42Å; V314-C323 WeakPolarHBondContact CG2-SG 3.35Å; T319-C323 PolarHBondContact O-N 3.25Å; T319-C323 PolarHBondContact O-SG 3.17Å; N320-C323 WeakPolarHBondContact O-CA 3.39Å; N320-C323 WeakPolarHBondContact O-CB 3.1Å; N320-C323 PolarHBondContact O-N 2.85Å; N320-C323 VanDerWaalsContact O-N 3.08Å; E321-C323 VanDerWaalsContact C-N 3.32Å; E321-C323 PolarHBondContact O-N 2.89Å; C323-F326 WeakPolarHBondContact O-CB 3.33Å; C323-F326 PolarHBondContact O-N 2.86Å; C323-L327 PolarHBondContact O-N 3.13Å
324A91.8Very high89.3Confident1 Ų143.4 Ų43.41%0.00821%0.21CC..Hα-helixtrans-66.1-43176.500000111.8L301 L304 N320 E321 F326 L327 L328L301-A324 HydrophobicContact CB-CB 4.08Å; L301-A324 HydrophobicContact CD2-CB 3.72Å; L301-A324 WeakPolarHBondContact O-CB 3.47Å; L304-A324 HydrophobicContact CB-CB 4.09Å; N320-A324 PolarHBondContact O-N 3.07Å; E321-A324 PolarHBondContact O-N 2.83Å; A324-F326 VanDerWaalsContact C-N 3.27Å; A324-F326 PolarHBondContact O-N 3.27Å; A324-L327 WeakPolarHBondContact O-CA 3.42Å; A324-L327 VanDerWaalsContact O-CB 3.27Å; A324-L327 WeakPolarHBondContact O-CB 3.45Å; A324-L327 PolarHBondContact O-N 3.31Å; A324-L328 WeakPolarHBondContact O-CG 3.45Å; A324-L328 PolarHBondContact O-N 2.82Å
325N91.7Very high89.8Confident51 Ų5143.6 Ų43.627%0.27321%0.21SC..Hα-helixtrans-60.7-37.2174.4-75-44.5000112.3E321 Q322 L328 N329E321-N325 WeakPolarHBondContact O-CB 2.91Å; E321-N325 PolarHBondContact O-N 3.16Å; E321-N325 PolarHBondContact O-ND2 3.36Å; Q322-N325 PolarHBondContact O-N 2.92Å; N325-L328 PolarHBondContact O-N 2.85Å; N325-N329 WeakPolarHBondContact O-CB 3.5Å; N325-N329 PolarHBondContact O-N 2.78Å; N325-N329 PolarHBondContact O-ND2 2.98Å
326F90.5Very high90.2Very high53 Ų5342.9 Ų42.923%0.23220%0.204CC..Hα-helixtrans-61.9-43.8172.1-176.8-91.5000111.7L312 V314 Q322 C323 A324 N329 E330L312-F326 HydrophobicContact CB-CD1 4.37Å; L312-F326 HydrophobicContact CB-CE1 4.5Å; L312-F326 HydrophobicContact CD1-CD1 4.36Å; L312-F326 HydrophobicContact CD2-CD1 4.24Å; L312-F326 HydrophobicContact CD2-CE1 4.29Å; V314-F326 HydrophobicContact CG1-CD1 3.99Å; V314-F326 HydrophobicContact CG1-CE1 4.38Å; V314-F326 HydrophobicContact CG1-CG 4.14Å; Q322-F326 PolarHBondContact O-N 3.44Å; C323-F326 WeakPolarHBondContact O-CB 3.33Å; C323-F326 PolarHBondContact O-N 2.86Å; A324-F326 VanDerWaalsContact C-N 3.27Å; A324-F326 PolarHBondContact O-N 3.27Å; F326-N329 PolarHBondContact O-N 2.94Å; F326-E330 HydrophobicContact CD2-CG 4.2Å; F326-E330 HydrophobicContact CE1-CB 4.25Å; F326-E330 HydrophobicContact CE1-CG 4.13Å; F326-E330 HydrophobicContact CE2-CG 3.78Å; F326-E330 HydrophobicContact CZ-CB 4.32Å; F326-E330 HydrophobicContact CZ-CG 3.74Å; F326-E330 WeakPolarHBondContact O-CB 3.45Å; F326-E330 PolarHBondContact O-N 2.81Å
327L91.6Very high90.6Very high1 Ų142.3 Ų42.31%0.00520%0.199CC..Hα-helixtrans-58.5-49.2174.5-178.771.5000112F238 F308 L312 C323 A324 N329 C331F238-L327 HydrophobicContact CE2-CD1 4.12Å; F238-L327 HydrophobicContact CZ-CD1 3.75Å; F308-L327 HydrophobicContact CB-CD2 4.38Å; F308-L327 HydrophobicContact CD1-CD1 4.26Å; F308-L327 HydrophobicContact CD1-CD2 4.39Å; F308-L327 HydrophobicContact CD2-CD2 3.74Å; F308-L327 HydrophobicContact CE2-CD2 4.07Å; F308-L327 HydrophobicContact CG-CD1 4.43Å; F308-L327 HydrophobicContact CG-CD2 3.92Å; L312-L327 HydrophobicContact CD1-CB 3.93Å; L312-L327 HydrophobicContact CD1-CD1 4.18Å; L312-L327 HydrophobicContact CD2-CD1 4.04Å; C323-L327 PolarHBondContact O-N 3.13Å; A324-L327 WeakPolarHBondContact O-CA 3.42Å; A324-L327 VanDerWaalsContact O-CB 3.27Å; A324-L327 WeakPolarHBondContact O-CB 3.45Å; A324-L327 PolarHBondContact O-N 3.31Å; L327-N329 VanDerWaalsContact C-N 3.27Å; L327-N329 PolarHBondContact O-N 2.92Å; L327-C331 HydrophobicContact CD1-CB 4Å; L327-C331 WeakPolarHBondContact O-CA 3.46Å; L327-C331 VanDerWaalsContact O-CB 3.23Å; L327-C331 WeakPolarHBondContact O-CB 3.43Å; L327-C331 PolarHBondContact O-N 2.66Å
328L91.4Very high90.9Very high0 Ų040 Ų400%020%0.198CC..Hα-helixtrans-63.6-33.4-178.8-62.7179.3000112.1A255 L256 L301 A324 N325 L332 K342A255-L328 HydrophobicContact CB-CD1 4.04Å; A255-L328 HydrophobicContact CB-CD2 4.12Å; L256-L328 HydrophobicContact CD2-CD1 4.33Å; L256-L328 HydrophobicContact CD2-CD2 4.32Å; L301-L328 HydrophobicContact CD2-CD1 3.83Å; A324-L328 WeakPolarHBondContact O-CG 3.45Å; A324-L328 PolarHBondContact O-N 2.82Å; N325-L328 PolarHBondContact O-N 2.85Å; L328-L332 HydrophobicContact CD2-CD1 3.55Å; L328-K342 PolarHBondContact O-NZ 3.42Å
329N90.5Very high91.3Very high68 Ų6838.5 Ų38.536%0.36420%0.195SC..Hα-helixtrans-80.8-46179.7-73.8-28000112.5R216 N325 F326 L327 I334 K342R216-N329 PolarHBondContact NH2-O 2.82Å; N325-N329 WeakPolarHBondContact O-CB 3.5Å; N325-N329 PolarHBondContact O-N 2.78Å; N325-N329 PolarHBondContact O-ND2 2.98Å; F326-N329 PolarHBondContact O-N 2.94Å; L327-N329 VanDerWaalsContact C-N 3.27Å; L327-N329 PolarHBondContact O-N 2.92Å; N329-I334 WeakPolarHBondContact O-CG2 3.35Å; N329-K342 PolarHBondContact OD1-NZ 2.93Å; N329-K342 VanDerWaalsContact OD1-NZ 3.09Å
330E88.4Confident91.4Very high50 Ų5037.8 Ų37.823%0.23419%0.188CC..Hα-helixtrans-90-14.5-173.5-69.2-61.1122.800114.2R216 I222 F326 I334R216-E330 IonicContact CZ-OE1 2.72Å; R216-E330 VanDerWaalsContact CZ-OE1 3.26Å; R216-E330 IonicContact NH1-OE1 2.71Å; R216-E330 PolarHBondContact NH1-OE1 2.7Å; R216-E330 IonicContact NH1-OE2 3.24Å; R216-E330 IonicContact NH2-OE1 3.48Å; R216-E330 PolarHBondContact NH2-OE1 3.01Å; I222-E330 WeakPolarHBondContact CD1-O 3.45Å; F326-E330 HydrophobicContact CD2-CG 4.2Å; F326-E330 HydrophobicContact CE1-CB 4.25Å; F326-E330 HydrophobicContact CE1-CG 4.13Å; F326-E330 HydrophobicContact CE2-CG 3.78Å; F326-E330 HydrophobicContact CZ-CB 4.32Å; F326-E330 HydrophobicContact CZ-CG 3.74Å; F326-E330 WeakPolarHBondContact O-CB 3.45Å; F326-E330 PolarHBondContact O-N 2.81Å; E330-I334 WeakPolarHBondContact O-CG2 3.34Å
331C89.7Confident91.5Very high1 Ų139 Ų391%0.00719%0.193CC..THydrogen-bonded Turntrans-119.9-30.1-176.2-63.30000115.1F238 L327F238-C331 HydrophobicContact CD2-CB 3.69Å; F238-C331 HydrophobicContact CE2-CB 3.66Å; F238-C331 HydrophobicContact CG-CB 4.27Å; F238-C331 HydrophobicContact CZ-CB 4.23Å; L327-C331 HydrophobicContact CD1-CB 4Å; L327-C331 WeakPolarHBondContact O-CA 3.46Å; L327-C331 VanDerWaalsContact O-CB 3.23Å; L327-C331 WeakPolarHBondContact O-CB 3.43Å; L327-C331 PolarHBondContact O-N 2.66Å
332L92.5Very high91.7Very high1 Ų135.8 Ų35.81%0.00518%0.177CC..SBendtrans-107126.1-173-61.4-173.5000112.1M224 L236 F238 L247 A252 L328 I334M224-L332 HydrophobicContact SD-CD2 4.48Å; L236-L332 HydrophobicContact CD1-CD2 4.14Å; L236-L332 HydrophobicContact CD2-CD2 3.39Å; L236-L332 HydrophobicContact CG-CD2 4.43Å; F238-L332 HydrophobicContact CD1-CD2 4.01Å; F238-L332 HydrophobicContact CE1-CD2 4.37Å; L247-L332 HydrophobicContact CD2-CD1 4Å; L247-L332 HydrophobicContact CD2-CD2 4.49Å; A252-L332 HydrophobicContact CB-CD1 4.28Å; L328-L332 HydrophobicContact CD2-CD1 3.55Å; L332-I334 PolarHBondContact O-N 3.35Å
333C93.1Very high91.9Very high1 Ų131.4 Ų31.41%0.00716%0.157CC..SBendtrans42.544.1174.2-62.20000113.2H335 L336 K342 L345C333-H335 PolarHBondContact O-N 3.47Å; C333-L336 HydrophobicContact CB-CD1 4.36Å; C333-L336 PolarHBondContact O-N 3.42Å; C333-K342 HydrophobicContact CB-CB 4.09Å; C333-K342 HydrophobicContact CB-CD 4.34Å; C333-K342 HydrophobicContact CB-CG 3.8Å; C333-L345 HydrophobicContact CB-CD2 4.27Å
334I92.4Very high92.2Very high9 Ų932 Ų325%0.04616%0.159CC..THydrogen-bonded Turntrans-59.8-14.3-163.764.2167.8000115.4C214 R216 I222 N329 E330 L332 L336C214-I334 HydrophobicContact CB-CG1 3.84Å; R216-I334 HydrophobicContact CG-CB 4.15Å; R216-I334 HydrophobicContact CG-CD1 4.03Å; R216-I334 HydrophobicContact CG-CG1 4.02Å; R216-I334 WeakPolarHBondContact CG-O 3.2Å; R216-I334 PolarHBondContact NE-O 2.85Å; R216-I334 VanDerWaalsContact NE-O 3.14Å; I222-I334 HydrophobicContact CB-CD1 4Å; I222-I334 HydrophobicContact CD1-CD1 4.08Å; I222-I334 HydrophobicContact CD1-CG2 4.04Å; I222-I334 HydrophobicContact CG1-CD1 3.86Å; N329-I334 WeakPolarHBondContact O-CG2 3.35Å; E330-I334 WeakPolarHBondContact O-CG2 3.34Å; L332-I334 PolarHBondContact O-N 3.35Å; I334-L336 VanDerWaalsContact C-N 3.32Å
335H92.6Very high92.3Very high27 Ų2732 Ų3213%0.12516%0.159CC..THydrogen-bonded Turntrans-76.7-19.417962.7-77.8000112.9N188 V215 C333 L345N188-H335 VanDerWaalsContact CG-CD2 3.47Å; N188-H335 WeakPolarHBondContact OD1-CB 3.37Å; V215-H335 WeakPolarHBondContact O-CB 3.15Å; C333-H335 PolarHBondContact O-N 3.47Å; H335-L345 VanDerWaalsContact CE1-CD2 3.45Å; H335-L345 WeakPolarHBondContact CE1-CD2 3.05Å
336L92.9Very high92.5Very high15 Ų1529.6 Ų29.68%0.07915%0.146CC..  trans-93.6148.5179.3-59.5175.7000111.1C333 I334 E341 K342 L345C333-L336 HydrophobicContact CB-CD1 4.36Å; C333-L336 PolarHBondContact O-N 3.42Å; I334-L336 VanDerWaalsContact C-N 3.32Å; L336-E341 HydrophobicContact CB-CB 4.1Å; L336-E341 HydrophobicContact CD1-CB 4Å; L336-E341 HydrophobicContact CD2-CB 4.37Å; L336-E341 HydrophobicContact CG-CB 4.38Å; L336-K342 HydrophobicContact CB-CG 3.94Å; L336-K342 HydrophobicContact CD1-CG 4.3Å; L336-L345 HydrophobicContact CD1-CB 3.89Å; L336-L345 HydrophobicContact CD1-CD2 3.58Å; L336-L345 HydrophobicContact CD1-CG 4.39Å
337K87.2Confident92.7Very high164 Ų16427 Ų2771%0.71314%0.135SC*.SBendtrans-93.5-36.9-172.1-66.8-179.7-178174.90112E217 E341E217-K337 WeakPolarHBondContact OE1-CE 3.19Å; E217-K337 IonicContact OE1-NZ 2.77Å; E217-K337 PolarHBondContact OE1-NZ 3.4Å; K337-E341 PolarHBondContact N-OE2 3.07Å; K337-E341 VanDerWaalsContact N-OE2 3.12Å
338S92.4Very high92.9Very high55 Ų5527 Ų2739%0.38514%0.135SC..SBendtrans-102.6142.5-178.2178.20000111.6L340 E341 K342S338-L340 PolarHBondContact O-N 2.96Å; S338-L340 PolarHBondContact OG-N 3.3Å; S338-E341 PolarHBondContact N-OE2 3.49Å; S338-E341 PolarHBondContact O-N 2.89Å; S338-E341 VanDerWaalsContact O-N 3.16Å; S338-K342 WeakPolarHBondContact O-CG 3.28Å; S338-K342 PolarHBondContact O-N 3.38Å; S338-K342 VanDerWaalsContact O-N 3.16Å
339D93.4Very high93.1Very high34 Ų3427.1 Ų27.118%0.18214%0.135CC..Hα-helixtrans-62.9-27.4173.7-67.7-27.6000112.2L256 R297 K342 F343L256-D339 HydrophobicContact CB-CB 4.27Å; L256-D339 HydrophobicContact CD2-CB 3.87Å; L256-D339 WeakPolarHBondContact O-CB 3.36Å; R297-D339 IonicContact NH2-OD2 3.97Å; D339-K342 PolarHBondContact O-N 3.36Å; D339-K342 IonicContact OD1-NZ 2.91Å; D339-K342 PolarHBondContact OD1-NZ 2.7Å; D339-F343 WeakPolarHBondContact O-CB 3.48Å; D339-F343 PolarHBondContact O-N 2.85Å
340L93.4Very high93.3Very high57 Ų5723.9 Ų23.930%0.29812%0.118SC..Hα-helixtrans-66-42.6173.7-174.865000112V257 F259 S338 K342 F343 Y344V257-L340 HydrophobicContact CG1-CD1 4.02Å; F259-L340 HydrophobicContact CE2-CD1 3.92Å; F259-L340 HydrophobicContact CZ-CD1 3.59Å; S338-L340 PolarHBondContact O-N 2.96Å; S338-L340 PolarHBondContact OG-N 3.3Å; L340-K342 VanDerWaalsContact C-N 3.33Å; L340-K342 PolarHBondContact O-N 3.23Å; L340-F343 WeakPolarHBondContact O-CB 3.29Å; L340-F343 PolarHBondContact O-N 2.93Å; L340-Y344 HydrophobicContact CD1-CD2 4.23Å; L340-Y344 HydrophobicContact CD1-CE2 3.56Å; L340-Y344 HydrophobicContact CD2-CE2 4.1Å; L340-Y344 HydrophobicContact CG-CD2 4.03Å; L340-Y344 HydrophobicContact CG-CE2 3.56Å; L340-Y344 WeakPolarHBondContact O-CD2 3.42Å; L340-Y344 PolarHBondContact O-N 3.46Å; L340-Y344 VanDerWaalsContact O-N 3.07Å
341E93.4Very high93.6Very high68 Ų6822 Ų2232%0.31811%0.109SC..Hα-helixtrans-63.2-42.8175.2-65.6173.6153.100110.6L336 K337 S338 F343 Y344 L345L336-E341 HydrophobicContact CB-CB 4.1Å; L336-E341 HydrophobicContact CD1-CB 4Å; L336-E341 HydrophobicContact CD2-CB 4.37Å; L336-E341 HydrophobicContact CG-CB 4.38Å; K337-E341 PolarHBondContact N-OE2 3.07Å; K337-E341 VanDerWaalsContact N-OE2 3.12Å; S338-E341 PolarHBondContact N-OE2 3.49Å; S338-E341 PolarHBondContact O-N 2.89Å; S338-E341 VanDerWaalsContact O-N 3.16Å; E341-F343 VanDerWaalsContact C-N 3.28Å; E341-F343 PolarHBondContact O-N 3.41Å; E341-Y344 PolarHBondContact O-N 2.86Å; E341-L345 PolarHBondContact O-N 3.07Å
342K95.3Very high93.9Very high3 Ų321.9 Ų21.91%0.01311%0.108CC..Hα-helixtrans-59.2-41.9176.1-61.8177.5-165.9161.70111.1L256 L328 N329 C333 L336 S338 D339 L340 L346L256-K342 HydrophobicContact CD1-CB 3.95Å; L256-K342 HydrophobicContact CD2-CB 4.06Å; L256-K342 HydrophobicContact CD2-CD 3.85Å; L328-K342 PolarHBondContact O-NZ 3.42Å; N329-K342 PolarHBondContact OD1-NZ 2.93Å; N329-K342 VanDerWaalsContact OD1-NZ 3.09Å; C333-K342 HydrophobicContact CB-CB 4.09Å; C333-K342 HydrophobicContact CB-CD 4.34Å; C333-K342 HydrophobicContact CB-CG 3.8Å; L336-K342 HydrophobicContact CB-CG 3.94Å; L336-K342 HydrophobicContact CD1-CG 4.3Å; S338-K342 WeakPolarHBondContact O-CG 3.28Å; S338-K342 PolarHBondContact O-N 3.38Å; S338-K342 VanDerWaalsContact O-N 3.16Å; D339-K342 PolarHBondContact O-N 3.36Å; D339-K342 IonicContact OD1-NZ 2.91Å; D339-K342 PolarHBondContact OD1-NZ 2.7Å; L340-K342 VanDerWaalsContact C-N 3.33Å; L340-K342 PolarHBondContact O-N 3.23Å; K342-L346 WeakPolarHBondContact O-CG 3.42Å; K342-L346 PolarHBondContact O-N 3.28Å
343F95.6Very high94Very high0 Ų021.9 Ų21.90%011%0.108CC..Hα-helixtrans-59.8-53.1176.6172-94.3000111.3L253 L256 V257 F259 I264 E267 D339 L340 E341 L345 L346 C347L253-F343 HydrophobicContact CB-CD2 4.29Å; L253-F343 HydrophobicContact CB-CE2 4.18Å; L253-F343 HydrophobicContact CD2-CD2 3.73Å; L253-F343 HydrophobicContact CD2-CE2 3.95Å; L256-F343 HydrophobicContact CB-CB 4.42Å; L256-F343 HydrophobicContact CD1-CB 4.42Å; V257-F343 HydrophobicContact CG1-CB 3.86Å; V257-F343 HydrophobicContact CG1-CD2 4.38Å; V257-F343 HydrophobicContact CG1-CG 4.02Å; V257-F343 HydrophobicContact CG2-CD1 4.5Å; V257-F343 HydrophobicContact CG2-CD2 3.49Å; V257-F343 VanDerWaalsContact CG2-CD2 3.49Å; V257-F343 HydrophobicContact CG2-CE2 3.73Å; V257-F343 HydrophobicContact CG2-CG 3.92Å; V257-F343 HydrophobicContact CG2-CZ 4.35Å; F259-F343 HydrophobicContact CD2-CD1 4.47Å; F259-F343 AromaticContact CD2-CE1 3.93Å; F259-F343 HydrophobicContact CD2-CE1 3.93Å; F259-F343 HydrophobicContact CD2-CZ 4.01Å; F259-F343 HydrophobicContact CE2-CD1 4.2Å; F259-F343 AromaticContact CE2-CE1 3.91Å; F259-F343 HydrophobicContact CE2-CE1 3.91Å; F259-F343 HydrophobicContact CE2-CZ 4.46Å; I264-F343 HydrophobicContact CB-CZ 4.47Å; I264-F343 HydrophobicContact CG1-CE2 3.98Å; I264-F343 HydrophobicContact CG1-CZ 4.1Å; I264-F343 HydrophobicContact CG2-CE2 4.18Å; I264-F343 HydrophobicContact CG2-CZ 4.39Å; E267-F343 HydrophobicContact CB-CE1 4.22Å; E267-F343 HydrophobicContact CB-CZ 4.24Å; E267-F343 HydrophobicContact CG-CE1 4.06Å; E267-F343 HydrophobicContact CG-CZ 4.35Å; D339-F343 WeakPolarHBondContact O-CB 3.48Å; D339-F343 PolarHBondContact O-N 2.85Å; L340-F343 WeakPolarHBondContact O-CB 3.29Å; L340-F343 PolarHBondContact O-N 2.93Å; E341-F343 VanDerWaalsContact C-N 3.28Å; E341-F343 PolarHBondContact O-N 3.41Å; F343-L345 VanDerWaalsContact C-N 3.33Å; F343-L345 PolarHBondContact O-N 3.33Å; F343-L346 PolarHBondContact O-N 2.8Å; F343-L346 VanDerWaalsContact O-N 3.16Å; F343-C347 PolarHBondContact O-N 3.17Å; F343-C347 PolarHBondContact O-SG 3.45Å; F343-C347 VanDerWaalsContact O-SG 3.41Å
344Y95.3Very high94.1Very high14 Ų1421.8 Ų21.86%0.05511%0.108CC..Hα-helixtrans-62.3-37.6-179.7-72.8-58.9000113.3E267 L340 E341 C347 F348 V542 D543E267-Y344 HydrophobicContact CG-CE1 4.49Å; L340-Y344 HydrophobicContact CD1-CD2 4.23Å; L340-Y344 HydrophobicContact CD1-CE2 3.56Å; L340-Y344 HydrophobicContact CD2-CE2 4.1Å; L340-Y344 HydrophobicContact CG-CD2 4.03Å; L340-Y344 HydrophobicContact CG-CE2 3.56Å; L340-Y344 WeakPolarHBondContact O-CD2 3.42Å; L340-Y344 PolarHBondContact O-N 3.46Å; L340-Y344 VanDerWaalsContact O-N 3.07Å; E341-Y344 PolarHBondContact O-N 2.86Å; Y344-C347 PolarHBondContact O-N 3Å; Y344-F348 WeakPolarHBondContact O-CB 3.46Å; Y344-F348 PolarHBondContact O-N 3.23Å; Y344-V542 HydrophobicContact CD2-CB 4.38Å; Y344-V542 HydrophobicContact CD2-CG2 4.2Å; Y344-V542 HydrophobicContact CE2-CB 4.16Å; Y344-V542 HydrophobicContact CE2-CG2 3.85Å; Y344-D543 PolarHBondContact OH-OD1 2.89Å
345L95.4Very high94.1Very high0 Ų022.4 Ų22.40%011%0.112CC..Hα-helixtrans-65.3-41.5174.9173.162.5000112.3M212 C333 H335 L336 E341 F343 C347 F348 S349 G560M212-L345 HydrophobicContact CE-CD1 3.88Å; M212-L345 HydrophobicContact CE-CD2 3.62Å; M212-L345 HydrophobicContact CE-CG 4.26Å; M212-L345 HydrophobicContact SD-CD2 3.89Å; M212-L345 HydrophobicContact SD-CG 4.5Å; C333-L345 HydrophobicContact CB-CD2 4.27Å; H335-L345 VanDerWaalsContact CE1-CD2 3.45Å; H335-L345 WeakPolarHBondContact CE1-CD2 3.05Å; L336-L345 HydrophobicContact CD1-CB 3.89Å; L336-L345 HydrophobicContact CD1-CD2 3.58Å; L336-L345 HydrophobicContact CD1-CG 4.39Å; E341-L345 PolarHBondContact O-N 3.07Å; F343-L345 VanDerWaalsContact C-N 3.33Å; F343-L345 PolarHBondContact O-N 3.33Å; L345-C347 VanDerWaalsContact C-N 3.35Å; L345-F348 HydrophobicContact CD1-CD1 4.35Å; L345-F348 PolarHBondContact O-N 3.09Å; L345-S349 WeakPolarHBondContact O-CB 3.5Å; L345-S349 PolarHBondContact O-N 3.32Å; L345-S349 PolarHBondContact O-OG 2.91Å; L345-G560 WeakPolarHBondContact CD1-O 3.2Å
346L95.6Very high94.1Very high0 Ų021.5 Ų21.50%011%0.108CC..Hα-helixtrans-66-39.4176.2-73.5177.5000111.1M224 L226 L236 L249 L253 L256 K342 F343 S349 T350M224-L346 HydrophobicContact CE-CD2 3.99Å; M224-L346 HydrophobicContact SD-CD2 4.33Å; L226-L346 HydrophobicContact CD1-CD2 4.4Å; L236-L346 HydrophobicContact CD1-CD1 4.36Å; L236-L346 HydrophobicContact CD1-CD2 3.78Å; L249-L346 HydrophobicContact CD1-CB 4.44Å; L249-L346 HydrophobicContact CD1-CD1 4.4Å; L249-L346 HydrophobicContact CD1-CD2 4.42Å; L253-L346 HydrophobicContact CD2-CB 3.8Å; L253-L346 HydrophobicContact CD2-CD1 4.27Å; L256-L346 HydrophobicContact CD1-CD1 3.76Å; K342-L346 WeakPolarHBondContact O-CG 3.42Å; K342-L346 PolarHBondContact O-N 3.28Å; F343-L346 PolarHBondContact O-N 2.8Å; F343-L346 VanDerWaalsContact O-N 3.16Å; L346-S349 PolarHBondContact O-N 3.42Å; L346-T350 WeakPolarHBondContact O-CB 3.17Å; L346-T350 PolarHBondContact O-N 3.02Å; L346-T350 PolarHBondContact O-OG1 3.22Å
347C95.1Very high94.1Very high0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-61.1-47172.1-69.20000111.5L268 F343 Y344 L345 S349 T350 R351L268-C347 HydrophobicContact CD2-CB 4.12Å; F343-C347 PolarHBondContact O-N 3.17Å; F343-C347 PolarHBondContact O-SG 3.45Å; F343-C347 VanDerWaalsContact O-SG 3.41Å; Y344-C347 PolarHBondContact O-N 3Å; L345-C347 VanDerWaalsContact C-N 3.35Å; C347-S349 PolarHBondContact O-N 2.78Å; C347-T350 PolarHBondContact O-N 3.24Å; C347-R351 WeakPolarHBondContact O-CG 3.33Å; C347-R351 PolarHBondContact O-N 3.21Å
348F95.3Very high94.3Very high1 Ų118.2 Ų18.20%0.00410%0.096CC..Hα-helixtrans-57.7-48.1175.2171.7-96.7000112.4P190 Y344 L345 T350 R351 K352 P555 V557 V562 Y607 F611P190-F348 HydrophobicContact CG-CD1 4.11Å; P190-F348 HydrophobicContact CG-CE1 3.64Å; Y344-F348 WeakPolarHBondContact O-CB 3.46Å; Y344-F348 PolarHBondContact O-N 3.23Å; L345-F348 HydrophobicContact CD1-CD1 4.35Å; L345-F348 PolarHBondContact O-N 3.09Å; F348-T350 VanDerWaalsContact C-N 3.29Å; F348-T350 PolarHBondContact O-N 3.45Å; F348-R351 PolarHBondContact O-N 2.71Å; F348-K352 PolarHBondContact O-N 3.39Å; F348-P555 HydrophobicContact CD2-CB 4.19Å; F348-P555 HydrophobicContact CD2-CG 4.39Å; F348-P555 HydrophobicContact CE2-CB 3.9Å; F348-P555 HydrophobicContact CE2-CG 3.71Å; F348-V557 HydrophobicContact CE2-CG2 4.35Å; F348-V557 HydrophobicContact CZ-CG2 4.26Å; F348-V562 HydrophobicContact CB-CG2 3.92Å; F348-V562 HydrophobicContact CG-CG2 4.26Å; F348-Y607 HydrophobicContact CD2-CE1 4.46Å; F348-Y607 HydrophobicContact CE2-CD1 4.18Å; F348-Y607 AromaticContact CE2-CE1 3.56Å; F348-Y607 HydrophobicContact CE2-CE1 3.56Å; F348-Y607 AromaticContact CZ-CD1 4Å; F348-Y607 HydrophobicContact CZ-CD1 4Å; F348-Y607 AromaticContact CZ-CE1 3.84Å; F348-Y607 HydrophobicContact CZ-CE1 3.84Å; F348-F611 AromaticContact CZ-CE1 3.92Å; F348-F611 HydrophobicContact CZ-CE1 3.92Å; F348-F611 HydrophobicContact CZ-CZ 4.28Å
349S95.7Very high94.2Very high1 Ų121.8 Ų21.81%0.00711%0.106CC..Hα-helixtrans-62.3-39.1178.3-57.80000110.9I210 L345 L346 C347 K352 L353I210-S349 WeakPolarHBondContact CD1-O 3.45Å; L345-S349 WeakPolarHBondContact O-CB 3.5Å; L345-S349 PolarHBondContact O-N 3.32Å; L345-S349 PolarHBondContact O-OG 2.91Å; L346-S349 PolarHBondContact O-N 3.42Å; C347-S349 PolarHBondContact O-N 2.78Å; S349-K352 PolarHBondContact O-N 2.94Å; S349-L353 WeakPolarHBondContact O-CB 3.5Å; S349-L353 PolarHBondContact O-N 3.41Å
350T95.4Very high94Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-66-42.8178.1-56.20000111.8V234 L249 L268 M285 L346 C347 F348 L353 F354V234-T350 HydrophobicContact CG2-CG2 4.27Å; L249-T350 HydrophobicContact CD2-CG2 3.91Å; L249-T350 WeakPolarHBondContact CD2-OG1 3.42Å; L268-T350 HydrophobicContact CD2-CG2 3.91Å; M285-T350 HydrophobicContact CE-CG2 4.43Å; L346-T350 WeakPolarHBondContact O-CB 3.17Å; L346-T350 PolarHBondContact O-N 3.02Å; L346-T350 PolarHBondContact O-OG1 3.22Å; C347-T350 PolarHBondContact O-N 3.24Å; F348-T350 VanDerWaalsContact C-N 3.29Å; F348-T350 PolarHBondContact O-N 3.45Å; T350-L353 WeakPolarHBondContact O-CB 3.31Å; T350-L353 PolarHBondContact O-N 2.89Å; T350-F354 HydrophobicContact CG2-CD2 4.12Å; T350-F354 HydrophobicContact CG2-CE1 4.24Å; T350-F354 HydrophobicContact CG2-CE2 3.57Å; T350-F354 HydrophobicContact CG2-CZ 3.63Å; T350-F354 WeakPolarHBondContact O-CG 3.46Å; T350-F354 PolarHBondContact O-N 2.95Å
351R94.3Very high93.9Very high10 Ų1021.6 Ų21.64%0.03810%0.104CC..Hα-helixtrans-58-49.8172.7-69.8-175.8-58.7-109.94111E267 L268 K270 C347 F348 L353 F354 T355E267-R351 PolarHBondContact O-NH1 3.37Å; L268-R351 VanDerWaalsContact O-CG 3.25Å; L268-R351 WeakPolarHBondContact O-CG 3.4Å; K270-R351 WeakPolarHBondContact O-CD 3.21Å; C347-R351 WeakPolarHBondContact O-CG 3.33Å; C347-R351 PolarHBondContact O-N 3.21Å; F348-R351 PolarHBondContact O-N 2.71Å; R351-L353 VanDerWaalsContact C-N 3.28Å; R351-L353 PolarHBondContact O-N 3.28Å; R351-F354 PolarHBondContact O-N 2.94Å; R351-T355 PolarHBondContact O-N 3.13Å; R351-T355 PolarHBondContact O-OG1 2.89Å
352K94.9Very high93.8Very high0 Ų023.2 Ų23.20%011%0.113CC..Hα-helixtrans-57.3-39.5175.3-178.6172179.9177.60112.2Y189 P190 I210 F348 S349 F356 E364 Y607Y189-K352 PolarHBondContact OH-NZ 3.07Å; P190-K352 WeakPolarHBondContact O-CE 3.32Å; P190-K352 PolarHBondContact O-NZ 2.88Å; I210-K352 HydrophobicContact CD1-CB 3.78Å; I210-K352 HydrophobicContact CD1-CD 4.15Å; I210-K352 HydrophobicContact CD1-CG 3.77Å; F348-K352 PolarHBondContact O-N 3.39Å; S349-K352 PolarHBondContact O-N 2.94Å; K352-F356 WeakPolarHBondContact O-CB 3.15Å; K352-F356 PolarHBondContact O-N 3.49Å; K352-E364 VanDerWaalsContact NZ-CD 3.28Å; K352-E364 IonicContact NZ-OE1 3.16Å; K352-E364 PolarHBondContact NZ-OE1 3.26Å; K352-E364 IonicContact NZ-OE2 2.85Å; K352-E364 PolarHBondContact NZ-OE2 3.26Å; K352-Y607 HydrophobicContact CB-CD2 3.93Å; K352-Y607 HydrophobicContact CB-CE1 4.48Å; K352-Y607 HydrophobicContact CB-CE2 3.91Å; K352-Y607 HydrophobicContact CB-CG 4.23Å; K352-Y607 HydrophobicContact CD-CD1 4.28Å; K352-Y607 HydrophobicContact CD-CD2 4.34Å; K352-Y607 HydrophobicContact CD-CG 3.91Å; K352-Y607 HydrophobicContact CG-CD1 4.39Å; K352-Y607 HydrophobicContact CG-CD2 3.69Å; K352-Y607 HydrophobicContact CG-CE2 4.2Å; K352-Y607 HydrophobicContact CG-CG 3.78Å
353L95.4Very high93.7Very high0 Ų027.4 Ų27.40%013%0.132CC..Hα-helixtrans-67.4-42.4179.7177.261.2000111.6I210 L226 V234 S349 T350 R351 F356 A357I210-L353 HydrophobicContact CD1-CB 3.8Å; I210-L353 HydrophobicContact CG1-CB 4.1Å; I210-L353 HydrophobicContact CG1-CD1 4.25Å; L226-L353 HydrophobicContact CB-CD2 4.07Å; V234-L353 HydrophobicContact CG1-CD2 3.84Å; V234-L353 HydrophobicContact CG2-CD2 4.05Å; S349-L353 WeakPolarHBondContact O-CB 3.5Å; S349-L353 PolarHBondContact O-N 3.41Å; T350-L353 WeakPolarHBondContact O-CB 3.31Å; T350-L353 PolarHBondContact O-N 2.89Å; R351-L353 VanDerWaalsContact C-N 3.28Å; R351-L353 PolarHBondContact O-N 3.28Å; L353-F356 PolarHBondContact O-N 3.22Å; L353-A357 WeakPolarHBondContact O-CB 3.25Å; L353-A357 PolarHBondContact O-N 3Å
354F94.4Very high93.7Very high0 Ų027.5 Ų27.50%013%0.132CC..Hα-helixtrans-65.7-42.9176.8-67.5-23.8000112Y228 V234 F277 Y278 C281 V282 M285 T350 R351 F356 A357 K358Y228-F354 HydrophobicContact CD2-CD1 4.12Å; Y228-F354 HydrophobicContact CD2-CE1 4.07Å; Y228-F354 HydrophobicContact CE2-CD1 4.23Å; Y228-F354 HydrophobicContact CE2-CE1 4.17Å; V234-F354 HydrophobicContact CG2-CE1 3.6Å; V234-F354 HydrophobicContact CG2-CZ 3.94Å; F277-F354 HydrophobicContact CE1-CB 4.25Å; F277-F354 HydrophobicContact CE1-CG 4.47Å; Y278-F354 HydrophobicContact CD1-CB 4.06Å; Y278-F354 AromaticContact CD1-CD2 3.69Å; Y278-F354 HydrophobicContact CD1-CD2 3.69Å; Y278-F354 HydrophobicContact CD1-CG 4.36Å; Y278-F354 HydrophobicContact CE1-CB 3.5Å; Y278-F354 VanDerWaalsContact CE1-CB 3.5Å; Y278-F354 AromaticContact CE1-CD2 3.93Å; Y278-F354 HydrophobicContact CE1-CD2 3.93Å; Y278-F354 HydrophobicContact CE1-CG 4.24Å; Y278-F354 HydrophobicContact CE2-CB 4.29Å; Y278-F354 HydrophobicContact CG-CD2 4.36Å; C281-F354 HydrophobicContact CB-CE1 4.17Å; C281-F354 HydrophobicContact CB-CE2 4.21Å; C281-F354 HydrophobicContact CB-CZ 3.78Å; V282-F354 HydrophobicContact CG2-CE2 4.07Å; M285-F354 HydrophobicContact CE-CE2 4.34Å; M285-F354 HydrophobicContact CE-CZ 3.81Å; T350-F354 HydrophobicContact CG2-CD2 4.12Å; T350-F354 HydrophobicContact CG2-CE1 4.24Å; T350-F354 HydrophobicContact CG2-CE2 3.57Å; T350-F354 HydrophobicContact CG2-CZ 3.63Å; T350-F354 WeakPolarHBondContact O-CG 3.46Å; T350-F354 PolarHBondContact O-N 2.95Å; R351-F354 PolarHBondContact O-N 2.94Å; F354-F356 VanDerWaalsContact C-N 3.28Å; F354-F356 PolarHBondContact O-N 3.31Å; F354-A357 PolarHBondContact O-N 3.02Å; F354-K358 WeakPolarHBondContact O-CB 3.45Å; F354-K358 PolarHBondContact O-N 2.98Å
355T92.4Very high93.5Very high22 Ų2230.1 Ų30.114%0.13515%0.148CC..Hα-helixtrans-59.6-40.8173.8-45.90000111.1Y278 R351 Q359 E360 C361 Y607Y278-T355 VanDerWaalsContact OH-CA 3.31Å; Y278-T355 WeakPolarHBondContact OH-CA 3.3Å; Y278-T355 PolarHBondContact OH-N 2.75Å; Y278-T355 VanDerWaalsContact OH-N 3.12Å; Y278-T355 PolarHBondContact OH-OG1 3.19Å; R351-T355 PolarHBondContact O-N 3.13Å; R351-T355 PolarHBondContact O-OG1 2.89Å; T355-Q359 PolarHBondContact O-N 2.8Å; T355-E360 HydrophobicContact CG2-CB 3.61Å; T355-E360 PolarHBondContact O-N 3.17Å; T355-C361 HydrophobicContact CG2-CB 4.01Å; T355-C361 PolarHBondContact O-N 3.4Å; T355-Y607 HydrophobicContact CG2-CE2 4.45Å
356F94.1Very high93.2Very high8 Ų831.7 Ų31.74%0.03516%0.157CC..Hα-helixtrans-69-43.6176.6-179.2-123.7000113.3A192 Y208 K352 L353 F354 K358 Q359 C361 E363A192-F356 HydrophobicContact CB-CB 4.39Å; A192-F356 HydrophobicContact CB-CD1 4.12Å; A192-F356 HydrophobicContact CB-CD2 4.2Å; A192-F356 HydrophobicContact CB-CE1 4.45Å; A192-F356 HydrophobicContact CB-CG 3.98Å; Y208-F356 HydrophobicContact CD1-CD1 4.13Å; Y208-F356 AromaticContact CD1-CE1 3.67Å; Y208-F356 HydrophobicContact CD1-CE1 3.67Å; Y208-F356 AromaticContact CD1-CZ 3.99Å; Y208-F356 HydrophobicContact CD1-CZ 3.99Å; Y208-F356 HydrophobicContact CG-CE1 4.35Å; K352-F356 WeakPolarHBondContact O-CB 3.15Å; K352-F356 PolarHBondContact O-N 3.49Å; L353-F356 PolarHBondContact O-N 3.22Å; F354-F356 VanDerWaalsContact C-N 3.28Å; F354-F356 PolarHBondContact O-N 3.31Å; F356-K358 PolarHBondContact O-N 3.39Å; F356-Q359 WeakPolarHBondContact O-CA 3.37Å; F356-Q359 PolarHBondContact O-N 3.03Å; F356-C361 HydrophobicContact CB-CB 4.24Å; F356-C361 HydrophobicContact CD2-CB 4.49Å; F356-C361 WeakPolarHBondContact CD2-O 3.36Å; F356-E363 HydrophobicContact CE2-CB 3.87Å; F356-E363 HydrophobicContact CZ-CB 4.07Å; F356-E363 HydrophobicContact CZ-CG 4.27Å
357A92.6Very high93Very high17 Ų1733.1 Ų33.114%0.1417%0.165CC..Hα-helixtrans-62.8-32.6177.800000112.1Y228 L353 F354 Q359Y228-A357 HydrophobicContact CD1-CB 3.92Å; Y228-A357 HydrophobicContact CD2-CB 4.31Å; Y228-A357 HydrophobicContact CE1-CB 4.25Å; Y228-A357 HydrophobicContact CG-CB 3.96Å; L353-A357 WeakPolarHBondContact O-CB 3.25Å; L353-A357 PolarHBondContact O-N 3Å; F354-A357 PolarHBondContact O-N 3.02Å; A357-Q359 PolarHBondContact O-N 2.91Å
358K90.9Very high92.9Very high93 Ų9333.3 Ų33.340%0.40417%0.167SC..THydrogen-bonded Turntrans-80.1-0.2173.4-156.3178.2168.9-147.80113.6F354 F356 E360F354-K358 WeakPolarHBondContact O-CB 3.45Å; F354-K358 PolarHBondContact O-N 2.98Å; F356-K358 PolarHBondContact O-N 3.39Å; K358-E360 HydrophobicContact CB-CG 4.38Å; K358-E360 HydrophobicContact CD-CG 4.43Å; K358-E360 VanDerWaalsContact CD-OE1 3.3Å; K358-E360 WeakPolarHBondContact CD-OE1 2.92Å; K358-E360 VanDerWaalsContact CE-OE1 3.25Å; K358-E360 WeakPolarHBondContact CE-OE1 3.4Å; K358-E360 HydrophobicContact CG-CG 4.4Å; K358-E360 IonicContact NZ-OE1 3.56Å; K358-E360 PolarHBondContact NZ-OE1 3.36Å; K358-E360 PolarHBondContact O-N 3.35Å
359Q90Very high92.8Very high129 Ų12933.5 Ų33.560%0.60317%0.168SC*.THydrogen-bonded Turntrans62.922.9-178.6-53.3179.5-11.600114.3Y208 T355 F356 A357 C361Y208-Q359 PolarHBondContact OH-NE2 3.22Å; Y208-Q359 VanDerWaalsContact OH-NE2 3.11Å; T355-Q359 PolarHBondContact O-N 2.8Å; F356-Q359 WeakPolarHBondContact O-CA 3.37Å; F356-Q359 PolarHBondContact O-N 3.03Å; A357-Q359 PolarHBondContact O-N 2.91Å; Q359-C361 VanDerWaalsContact C-N 3.35Å
360E90Very high92.7Very high81 Ų8133.9 Ų33.938%0.37917%0.17SC..SBendtrans-84.7-14.6172.2-67.8172169.600111.6T355 K358 P604T355-E360 HydrophobicContact CG2-CB 3.61Å; T355-E360 PolarHBondContact O-N 3.17Å; K358-E360 HydrophobicContact CB-CG 4.38Å; K358-E360 HydrophobicContact CD-CG 4.43Å; K358-E360 VanDerWaalsContact CD-OE1 3.3Å; K358-E360 WeakPolarHBondContact CD-OE1 2.92Å; K358-E360 VanDerWaalsContact CE-OE1 3.25Å; K358-E360 WeakPolarHBondContact CE-OE1 3.4Å; K358-E360 HydrophobicContact CG-CG 4.4Å; K358-E360 IonicContact NZ-OE1 3.56Å; K358-E360 PolarHBondContact NZ-OE1 3.36Å; K358-E360 PolarHBondContact O-N 3.35Å; E360-P604 WeakPolarHBondContact O-CA 3.38Å
361C90.6Very high92.6Very high7 Ų734 Ų345%0.04717%0.17CC..BIsolated β-bridgetrans-115.5142.3173.1-178.90000110.2T355 F356 Q359T355-C361 HydrophobicContact CG2-CB 4.01Å; T355-C361 PolarHBondContact O-N 3.4Å; F356-C361 HydrophobicContact CB-CB 4.24Å; F356-C361 HydrophobicContact CD2-CB 4.49Å; F356-C361 WeakPolarHBondContact CD2-O 3.36Å; Q359-C361 VanDerWaalsContact C-N 3.35Å
362M92.3Very high92.6Very high102 Ų10233.9 Ų33.950%0.50217%0.17SC..PPolyproline II helixtrans-72.8151.5174.5-173.3179.5-72.900111.3S605M362-S605 PolarHBondContact N-O 3.25Å
363E93.1Very high92.6Very high90 Ų9034 Ų3442%0.42117%0.17SC..PPolyproline II helixtrans-67.7130.3168.2-178.8172.6-172.100111.1S194 F356S194-E363 PolarHBondContact N-OE1 3.33Å; F356-E363 HydrophobicContact CE2-CB 3.87Å; F356-E363 HydrophobicContact CZ-CB 4.07Å; F356-E363 HydrophobicContact CZ-CG 4.27Å
364E94.3Very high92.6Very high2 Ų234 Ų341%0.00917%0.17CC..PPolyproline II helixtrans-86.3123175.1-73.6166.2158.600110.3Y189 V191 A192 K352 P366 M370 L606Y189-E364 PolarHBondContact OH-OE1 2.74Å; V191-E364 WeakPolarHBondContact CA-OE2 3.26Å; V191-E364 HydrophobicContact CG1-CB 3.86Å; A192-E364 PolarHBondContact N-OE2 3.2Å; A192-E364 WeakPolarHBondContact O-CB 2.79Å; A192-E364 PolarHBondContact O-N 3.23Å; K352-E364 VanDerWaalsContact NZ-CD 3.28Å; K352-E364 IonicContact NZ-OE1 3.16Å; K352-E364 PolarHBondContact NZ-OE1 3.26Å; K352-E364 IonicContact NZ-OE2 2.85Å; K352-E364 PolarHBondContact NZ-OE2 3.26Å; E364-P366 VanDerWaalsContact O-CD 3.23Å; E364-P366 WeakPolarHBondContact O-CD 3.35Å; E364-M370 HydrophobicContact CG-CE 4.17Å; E364-L606 HydrophobicContact CG-CD2 3.41Å; E364-L606 VanDerWaalsContact CG-CD2 3.41Å
365N91.8Very high92.6Very high70 Ų7034.1 Ų34.137%0.37417%0.171SC..  trans-71.7113.9179.7-177.84.3000111D367 S368N365-D367 PolarHBondContact O-N 2.92Å; N365-D367 VanDerWaalsContact O-N 3.17Å; N365-D367 WeakPolarHBondContact OD1-CB 3.36Å; N365-D367 PolarHBondContact OD1-N 3.22Å; N365-S368 WeakPolarHBondContact O-CB 3.28Å; N365-S368 PolarHBondContact O-N 3.23Å; N365-S368 VanDerWaalsContact O-N 3.12Å
366P90.1Very high92.8Very high32 Ų3233.1 Ų33.121%0.20817%0.165CC..THydrogen-bonded Turntrans-69.7-11.7178.231.6-37.2000113.1E364 Q372 R474E364-P366 VanDerWaalsContact O-CD 3.23Å; E364-P366 WeakPolarHBondContact O-CD 3.35Å; P366-Q372 PolarHBondContact O-NE2 2.68Å; P366-R474 PolarHBondContact O-NH2 3.24Å
367D91.1Very high92.8Very high31 Ų3132.9 Ų32.917%0.16616%0.164CC..THydrogen-bonded Turntrans-90.6-10.9175.7-63.1-35.4000113.1N365 Q372 R474 V486N365-D367 PolarHBondContact O-N 2.92Å; N365-D367 VanDerWaalsContact O-N 3.17Å; N365-D367 WeakPolarHBondContact OD1-CB 3.36Å; N365-D367 PolarHBondContact OD1-N 3.22Å; D367-Q372 PolarHBondContact O-NE2 2.92Å; D367-R474 IonicContact OD1-CZ 2.95Å; D367-R474 IonicContact OD1-NE 3.28Å; D367-R474 IonicContact OD1-NH2 3.95Å; D367-R474 PolarHBondContact OD1-NH2 2.77Å; D367-V486 WeakPolarHBondContact OD2-CG1 3.47Å
368S92.8Very high92.8Very high4 Ų432 Ų323%0.02816%0.157CC..SBendtrans-73.2143.7170.7-176.80000110.9N365 M370 C371 Q372 E492N365-S368 WeakPolarHBondContact O-CB 3.28Å; N365-S368 PolarHBondContact O-N 3.23Å; N365-S368 VanDerWaalsContact O-N 3.12Å; S368-M370 PolarHBondContact O-N 3.46Å; S368-C371 PolarHBondContact O-N 2.54Å; S368-C371 VanDerWaalsContact O-N 3.12Å; S368-Q372 WeakPolarHBondContact O-CG 3.39Å; S368-E492 PolarHBondContact OG-OE1 3.23Å
369L92.6Very high93Very high5 Ų527.6 Ų27.63%0.02614%0.138CC..G310 helixtrans-65.5-19.9178.6-67.2175.8000113I183 C371 Q372 F496 L497 M619 T636I183-L369 HydrophobicContact CD1-CD2 4.38Å; L369-C371 PolarHBondContact O-N 3.05Å; L369-Q372 PolarHBondContact O-N 2.69Å; L369-F496 HydrophobicContact CD1-CB 4.15Å; L369-L497 HydrophobicContact CD1-CD1 3.85Å; L369-L497 HydrophobicContact CD1-CG 3.89Å; L369-L497 HydrophobicContact CD2-CD1 3.71Å; L369-L497 HydrophobicContact CD2-CG 4.38Å; L369-L497 HydrophobicContact CG-CD1 4.29Å; L369-M619 HydrophobicContact CB-CE 4.39Å; L369-M619 HydrophobicContact CD1-CE 4.25Å; L369-M619 HydrophobicContact CD2-CE 3.72Å; L369-M619 HydrophobicContact CG-CE 4.35Å; L369-T636 HydrophobicContact CB-CG2 4.17Å; L369-T636 PolarHBondContact O-OG1 3.45Å; L369-T636 VanDerWaalsContact O-OG1 3.06Å
370M93.4Very high93.1Very high9 Ų921.7 Ų21.74%0.04411%0.111CC..G310 helixtrans-52-45.5170.2163.6-174.6151.700111.1R186 Y189 E364 S368 Q372 L606 F637 L640R186-M370 WeakPolarHBondContact CD-O 3.38Å; R186-M370 PolarHBondContact NH1-O 3.19Å; Y189-M370 HydrophobicContact CE1-CE 4.26Å; E364-M370 HydrophobicContact CG-CE 4.17Å; S368-M370 PolarHBondContact O-N 3.46Å; M370-Q372 VanDerWaalsContact C-N 3.3Å; M370-Q372 PolarHBondContact O-N 3.33Å; M370-L606 HydrophobicContact CE-CD1 3.81Å; M370-L606 HydrophobicContact CE-CD2 4.27Å; M370-L606 HydrophobicContact SD-CD1 3.72Å; M370-F637 HydrophobicContact CE-CD2 4.05Å; M370-F637 HydrophobicContact CE-CE1 4.02Å; M370-F637 HydrophobicContact CE-CE2 3.44Å; M370-F637 VanDerWaalsContact CE-CE2 3.44Å; M370-F637 HydrophobicContact CE-CZ 3.44Å; M370-F637 VanDerWaalsContact CE-CZ 3.44Å; M370-F637 HydrophobicContact CG-CB 4.12Å; M370-F637 HydrophobicContact CG-CD1 4.24Å; M370-F637 HydrophobicContact CG-CD2 3.5Å; M370-F637 HydrophobicContact CG-CE2 3.92Å; M370-F637 HydrophobicContact CG-CG 3.71Å; M370-F637 HydrophobicContact CG-CZ 4.45Å; M370-F637 HydrophobicContact SD-CD2 3.61Å; M370-F637 HydrophobicContact SD-CE2 3.47Å; M370-F637 WeakPolarHBondContact SD-CE2 3.4Å; M370-F637 HydrophobicContact SD-CG 4.37Å; M370-F637 HydrophobicContact SD-CZ 4.11Å; M370-L640 HydrophobicContact CB-CD1 4.17Å; M370-L640 HydrophobicContact SD-CD2 4Å
371C94.4Very high93.3Very high1 Ų118.3 Ų18.31%0.0079%0.094CC..G310 helixtrans-92.514.3-175.3-67.50000112.6R186 V191 S368 L369R186-C371 VanDerWaalsContact CB-C 3.45Å; R186-C371 WeakPolarHBondContact CB-O 3.17Å; R186-C371 PolarHBondContact N-O 2.92Å; V191-C371 HydrophobicContact CG2-CB 4.47Å; S368-C371 PolarHBondContact O-N 2.54Å; S368-C371 VanDerWaalsContact O-N 3.12Å; L369-C371 PolarHBondContact O-N 3.05Å
372Q94.4Very high93.5Very high8 Ų818 Ų184%0.0379%0.092CC..EExtended strand (participates in β ladder)trans-127.2160.6-173.7-66.71714.700112.9I183 Q184 P366 D367 S368 L369 M370I183-Q372 HydrophobicContact CG2-CB 3.65Å; I183-Q372 HydrophobicContact CG2-CG 3.65Å; Q184-Q372 CarbonylContact O-C 3.59Å; Q184-Q372 WeakPolarHBondContact O-CA 3.42Å; Q184-Q372 WeakPolarHBondContact O-CB 3.49Å; P366-Q372 PolarHBondContact O-NE2 2.68Å; D367-Q372 PolarHBondContact O-NE2 2.92Å; S368-Q372 WeakPolarHBondContact O-CG 3.39Å; L369-Q372 PolarHBondContact O-N 2.69Å; M370-Q372 VanDerWaalsContact C-N 3.3Å; M370-Q372 PolarHBondContact O-N 3.33Å
373E94.3Very high93.5Very high2 Ų213.7 Ų13.71%0.0097%0.071CC..EExtended strand (participates in β ladder)trans-143.3171.8171.765.9176.4-13500110.4I183 Q184 R187I183-E373 CarbonylContact C-O 3.37Å; I183-E373 WeakPolarHBondContact CA-O 3.36Å; Q184-E373 HydrophobicContact CB-CG 4.34Å; Q184-E373 PolarHBondContact N-O 3.47Å; Q184-E373 PolarHBondContact O-N 3.23Å; R187-E373 WeakPolarHBondContact CB-OE2 3.28Å; R187-E373 WeakPolarHBondContact CG-OE2 3.42Å; R187-E373 IonicContact CZ-OE1 3.04Å; R187-E373 VanDerWaalsContact CZ-OE1 3.23Å; R187-E373 IonicContact CZ-OE2 2.77Å; R187-E373 PolarHBondContact N-OE2 3.23Å; R187-E373 VanDerWaalsContact NE-CD 3.31Å; R187-E373 IonicContact NE-OE1 3.71Å; R187-E373 PolarHBondContact NE-OE1 3.4Å; R187-E373 IonicContact NE-OE2 2.89Å; R187-E373 PolarHBondContact NE-OE2 3.36Å; R187-E373 IonicContact NH2-OE1 3.79Å; R187-E373 PolarHBondContact NH2-OE1 3Å; R187-E373 IonicContact NH2-OE2 3.75Å
374V95.5Very high93.5Very high0 Ų09.6 Ų9.60%05%0.052CC..EExtended strand (participates in β ladder)trans-111.5106.3-176.1-178.50000110.7M181 L182 T376 V472 C617 M619M181-V374 HydrophobicContact CB-CG1 3.64Å; M181-V374 HydrophobicContact CG-CG1 4Å; M181-V374 HydrophobicContact SD-CG1 4Å; L182-V374 CarbonylContact O-C 3.53Å; L182-V374 WeakPolarHBondContact O-CA 3.48Å; V374-T376 PolarHBondContact O-N 3.15Å; V374-T376 VanDerWaalsContact O-N 3.16Å; V374-V472 HydrophobicContact CG1-CG2 4.41Å; V374-V472 HydrophobicContact CG2-CG1 4.29Å; V374-C617 PolarHBondContact N-O 2.91Å; V374-C617 WeakPolarHBondContact O-CB 3.18Å; V374-M619 HydrophobicContact CG2-CE 4.13Å; V374-M619 HydrophobicContact CG2-CG 3.61Å; V374-M619 HydrophobicContact CG2-SD 3.6Å; V374-M619 VanDerWaalsContact CG2-SD 3.6Å
375L94.8Very high93.5Very high4 Ų49.6 Ų9.62%0.0215%0.052CC..EExtended strand (participates in β ladder)trans-64.7114.8169.4-178.965.3000109.7M181 L182 Q184 Q379 L380 M383 I447M181-L375 WeakPolarHBondContact CA-O 3.48Å; L182-L375 HydrophobicContact CB-CB 4.28Å; L182-L375 PolarHBondContact N-O 3.07Å; L182-L375 VanDerWaalsContact N-O 3.15Å; L182-L375 PolarHBondContact O-N 3.13Å; Q184-L375 HydrophobicContact CG-CB 4.07Å; L375-Q379 HydrophobicContact CD1-CB 3.92Å; L375-L380 HydrophobicContact CD2-CB 4.42Å; L375-L380 HydrophobicContact CD2-CD1 4.4Å; L375-M383 HydrophobicContact CD1-SD 4.05Å; L375-I447 HydrophobicContact CD2-CD1 3.74Å; L375-I447 HydrophobicContact CD2-CG1 4.25Å
376T95Very high93.5Very high1 Ų17.3 Ų7.31%0.0064%0.039CC..  trans-88.5156.8-178.738.80000112.1V374 G378 Q379 L380 V520 C617V374-T376 PolarHBondContact O-N 3.15Å; V374-T376 VanDerWaalsContact O-N 3.16Å; T376-G378 PolarHBondContact O-N 3.06Å; T376-Q379 PolarHBondContact O-N 2.91Å; T376-Q379 PolarHBondContact OG1-OE1 3.2Å; T376-L380 PolarHBondContact O-N 3.39Å; T376-L380 VanDerWaalsContact O-N 3.15Å; T376-V520 HydrophobicContact CG2-CG1 3.69Å; T376-C617 PolarHBondContact OG1-SG 3.44Å
377P94.4Very high93.6Very high2 Ų26.9 Ų6.91%0.0133%0.034CC..Hα-helixtrans-55-44.5-179.1-27.432.3000115.2H42 M140 V179 Q379 L380 Y381H42-P377 HydrophobicContact CB-CG 4.32Å; H42-P377 WeakPolarHBondContact ND1-CG 3.35Å; M140-P377 HydrophobicContact CE-CB 4.11Å; V179-P377 HydrophobicContact CB-CB 3.85Å; V179-P377 HydrophobicContact CB-CG 4.15Å; V179-P377 HydrophobicContact CG1-CB 4.03Å; V179-P377 HydrophobicContact CG1-CG 4.36Å; V179-P377 HydrophobicContact CG2-CB 4.46Å; P377-Q379 PolarHBondContact O-N 3.39Å; P377-L380 PolarHBondContact O-N 2.88Å; P377-Y381 WeakPolarHBondContact O-CB 3.37Å; P377-Y381 PolarHBondContact O-N 3.26Å
378G93.9Very high93.7Very high0 Ų07.1 Ų7.10%03%0.033CC..Hα-helixtrans-61.1-37.2-178.500000112.3S45 A49 T376 Y381 L382S45-G378 PolarHBondContact OG-N 3.5Å; A49-G378 WeakPolarHBondContact CB-O 3.49Å; T376-G378 PolarHBondContact O-N 3.06Å; G378-Y381 WeakPolarHBondContact O-CB 3.39Å; G378-Y381 PolarHBondContact O-N 2.95Å; G378-L382 WeakPolarHBondContact O-CB 3.36Å; G378-L382 PolarHBondContact O-N 2.77Å
379Q93.6Very high93.7Very high0 Ų07 Ų70%03%0.032CC..Hα-helixtrans-74.9-43-176.6-78.264.615.500109.9S45 H219 L375 T376 P377 Y381 L382 M383S45-Q379 VanDerWaalsContact CB-OE1 3.25Å; H219-Q379 WeakPolarHBondContact CE1-CG 3.47Å; H219-Q379 WeakPolarHBondContact ND1-CG 3.5Å; H219-Q379 VanDerWaalsContact NE2-CG 3.34Å; H219-Q379 WeakPolarHBondContact NE2-CG 3.45Å; L375-Q379 HydrophobicContact CD1-CB 3.92Å; T376-Q379 PolarHBondContact O-N 2.91Å; T376-Q379 PolarHBondContact OG1-OE1 3.2Å; P377-Q379 PolarHBondContact O-N 3.39Å; Q379-Y381 VanDerWaalsContact C-N 3.27Å; Q379-Y381 PolarHBondContact O-N 3.36Å; Q379-L382 PolarHBondContact O-N 3.42Å; Q379-M383 WeakPolarHBondContact O-CB 3.4Å; Q379-M383 WeakPolarHBondContact O-CG 3.32Å; Q379-M383 PolarHBondContact O-N 3.15Å
380L93.9Very high93.7Very high5 Ų59.4 Ų9.43%0.0265%0.047CC..Hα-helixtrans-57.7-43.4169.6178.565.6000111.3V179 L375 T376 P377 L382 F384 L445 I447 L453V179-L380 HydrophobicContact CG1-CD2 3.65Å; L375-L380 HydrophobicContact CD2-CB 4.42Å; L375-L380 HydrophobicContact CD2-CD1 4.4Å; T376-L380 PolarHBondContact O-N 3.39Å; T376-L380 VanDerWaalsContact O-N 3.15Å; P377-L380 PolarHBondContact O-N 2.88Å; L380-L382 VanDerWaalsContact C-N 3.35Å; L380-F384 WeakPolarHBondContact O-CB 3.35Å; L380-F384 PolarHBondContact O-N 3.35Å; L380-L445 HydrophobicContact CD1-CD1 4.28Å; L380-I447 HydrophobicContact CD1-CD1 3.52Å; L380-L453 HydrophobicContact CD1-CD1 4.5Å; L380-L453 HydrophobicContact CD2-CB 4.35Å; L380-L453 HydrophobicContact CD2-CD1 4.22Å
381Y94.1Very high93.6Very high9 Ų911 Ų114%0.0356%0.063CC..Hα-helixtrans-61.8-43.2177.2-168.1-81.9000111.4F46 V137 P138 F170 P377 G378 Q379 F384 L385 F430F46-Y381 HydrophobicContact CE2-CD1 4.2Å; F46-Y381 HydrophobicContact CE2-CD2 4.1Å; F46-Y381 HydrophobicContact CE2-CE1 4.14Å; F46-Y381 AromaticContact CE2-CE2 4Å; F46-Y381 HydrophobicContact CE2-CE2 4Å; F46-Y381 HydrophobicContact CE2-CG 4.17Å; F46-Y381 AromaticContact CE2-CZ 4Å; V137-Y381 VanDerWaalsContact CB-OH 3.28Å; V137-Y381 WeakPolarHBondContact CB-OH 3.42Å; V137-Y381 WeakPolarHBondContact CG2-OH 3.26Å; P138-Y381 PolarHBondContact O-OH 3.3Å; F170-Y381 HydrophobicContact CE1-CD2 4.48Å; F170-Y381 HydrophobicContact CE1-CE2 4.17Å; F170-Y381 HydrophobicContact CZ-CD2 4.18Å; F170-Y381 HydrophobicContact CZ-CE2 4.33Å; P377-Y381 WeakPolarHBondContact O-CB 3.37Å; P377-Y381 PolarHBondContact O-N 3.26Å; G378-Y381 WeakPolarHBondContact O-CB 3.39Å; G378-Y381 PolarHBondContact O-N 2.95Å; Q379-Y381 VanDerWaalsContact C-N 3.27Å; Q379-Y381 PolarHBondContact O-N 3.36Å; Y381-F384 PolarHBondContact O-N 3.24Å; Y381-L385 VanDerWaalsContact O-CB 3.28Å; Y381-L385 WeakPolarHBondContact O-CB 3.36Å; Y381-L385 PolarHBondContact O-N 2.83Å; Y381-F430 HydrophobicContact CD1-CE1 4.13Å; Y381-F430 HydrophobicContact CD2-CD1 4.21Å; Y381-F430 AromaticContact CD2-CE1 3.83Å; Y381-F430 HydrophobicContact CD2-CE1 3.83Å; Y381-F430 AromaticContact CE1-CE1 3.8Å; Y381-F430 HydrophobicContact CE1-CE1 3.8Å; Y381-F430 HydrophobicContact CE1-CZ 4.33Å; Y381-F430 AromaticContact CE2-CD1 3.66Å; Y381-F430 HydrophobicContact CE2-CD1 3.66Å; Y381-F430 AromaticContact CE2-CE1 3.51Å; Y381-F430 HydrophobicContact CE2-CE1 3.51Å; Y381-F430 HydrophobicContact CG-CE1 4.15Å; Y381-F430 AromaticContact CZ-CD1 3.92Å; Y381-F430 AromaticContact CZ-CE1 3.51Å
382L93.4Very high93.5Very high1 Ų111.1 Ų11.11%0.0056%0.063CC..Hα-helixtrans-64.9-46.6178.8-170.464.8000112.3A49 V57 G378 Q379 L380 F384 L385 K386A49-L382 HydrophobicContact CB-CB 4.15Å; V57-L382 HydrophobicContact CB-CD1 4.2Å; V57-L382 HydrophobicContact CG2-CD1 3.38Å; V57-L382 HydrophobicContact CG2-CD2 4.08Å; V57-L382 HydrophobicContact CG2-CG 3.53Å; G378-L382 WeakPolarHBondContact O-CB 3.36Å; G378-L382 PolarHBondContact O-N 2.77Å; Q379-L382 PolarHBondContact O-N 3.42Å; L380-L382 VanDerWaalsContact C-N 3.35Å; L382-F384 VanDerWaalsContact C-N 3.33Å; L382-F384 PolarHBondContact O-N 2.94Å; L382-L385 PolarHBondContact O-N 3.44Å; L382-K386 PolarHBondContact O-N 2.86Å
383M92.9Very high93.4Very high11 Ų1110.9 Ų10.95%0.0546%0.062CC..Hα-helixtrans-60-44.2177-68.1165.782.100111.2H219 L375 Q379 E387 L445H219-M383 HydrophobicContact CB-CG 3.85Å; H219-M383 HydrophobicContact CB-SD 4.29Å; H219-M383 WeakPolarHBondContact O-CE 3.32Å; H219-M383 WeakPolarHBondContact O-CG 3.43Å; L375-M383 HydrophobicContact CD1-SD 4.05Å; Q379-M383 WeakPolarHBondContact O-CB 3.4Å; Q379-M383 WeakPolarHBondContact O-CG 3.32Å; Q379-M383 PolarHBondContact O-N 3.15Å; M383-E387 PolarHBondContact O-N 3.06Å; M383-L445 HydrophobicContact CB-CD1 4.23Å; M383-L445 HydrophobicContact CB-CD2 4.2Å; M383-L445 HydrophobicContact CE-CB 4.1Å; M383-L445 WeakPolarHBondContact CE-O 3.37Å
384F93.8Very high93.1Very high4 Ų413.7 Ų13.72%0.0188%0.079CC..Hα-helixtrans-67.1-39.9176.5-173.2-111.7000112L380 Y381 L382 E387 K388 P429 F430 L433 L439 L445L380-F384 WeakPolarHBondContact O-CB 3.35Å; L380-F384 PolarHBondContact O-N 3.35Å; Y381-F384 PolarHBondContact O-N 3.24Å; L382-F384 VanDerWaalsContact C-N 3.33Å; L382-F384 PolarHBondContact O-N 2.94Å; F384-E387 PolarHBondContact O-N 3.46Å; F384-K388 HydrophobicContact CD1-CG 4.29Å; F384-K388 HydrophobicContact CE1-CG 4.01Å; F384-K388 HydrophobicContact CE2-CD 4.39Å; F384-K388 HydrophobicContact CE2-CG 4.37Å; F384-K388 HydrophobicContact CZ-CD 4.25Å; F384-K388 HydrophobicContact CZ-CG 4.08Å; F384-K388 WeakPolarHBondContact O-CG 3.35Å; F384-K388 PolarHBondContact O-N 3.42Å; F384-P429 HydrophobicContact CE1-CB 4.42Å; F384-P429 HydrophobicContact CZ-CB 4.19Å; F384-F430 HydrophobicContact CD1-CD1 4.02Å; F384-F430 HydrophobicContact CD1-CD2 4.32Å; F384-F430 AromaticContact CD1-CE1 3.65Å; F384-F430 HydrophobicContact CD1-CE1 3.65Å; F384-F430 AromaticContact CD1-CE2 3.99Å; F384-F430 HydrophobicContact CD1-CE2 3.99Å; F384-F430 HydrophobicContact CD1-CG 4.34Å; F384-F430 AromaticContact CD1-CZ 3.64Å; F384-F430 HydrophobicContact CD1-CZ 3.64Å; F384-F430 HydrophobicContact CE1-CD1 4.14Å; F384-F430 HydrophobicContact CE1-CD2 4.01Å; F384-F430 HydrophobicContact CE1-CE1 4.2Å; F384-F430 HydrophobicContact CE1-CE2 4.07Å; F384-F430 HydrophobicContact CE1-CG 4.05Å; F384-F430 HydrophobicContact CE1-CZ 4.16Å; F384-L433 HydrophobicContact CB-CD2 4.37Å; F384-L433 HydrophobicContact CD1-CD2 3.61Å; F384-L433 HydrophobicContact CD2-CD2 4.11Å; F384-L433 HydrophobicContact CE1-CB 4.28Å; F384-L433 HydrophobicContact CE1-CD2 3.76Å; F384-L433 HydrophobicContact CE2-CD2 4.21Å; F384-L433 HydrophobicContact CG-CD2 3.78Å; F384-L433 HydrophobicContact CZ-CB 4.21Å; F384-L433 HydrophobicContact CZ-CD2 4.04Å; F384-L439 HydrophobicContact CD2-CD1 3.56Å; F384-L439 HydrophobicContact CE2-CD1 3.77Å; F384-L445 HydrophobicContact CB-CD1 4.19Å; F384-L445 HydrophobicContact CD2-CD1 4.38Å
385L93.3Very high92.9Very high3 Ų315.1 Ų15.12%0.0169%0.089CC..Hα-helixtrans-61-46.9176.9-175.560.6000111.5L54 L114 Y381 L382 E387 K388 L389 L426 F430L54-L385 HydrophobicContact CD1-CD2 3.57Å; L114-L385 HydrophobicContact CD2-CD1 4.08Å; Y381-L385 VanDerWaalsContact O-CB 3.28Å; Y381-L385 WeakPolarHBondContact O-CB 3.36Å; Y381-L385 PolarHBondContact O-N 2.83Å; L382-L385 PolarHBondContact O-N 3.44Å; L385-E387 VanDerWaalsContact C-N 3.34Å; L385-E387 PolarHBondContact O-N 3.36Å; L385-K388 PolarHBondContact O-N 3.42Å; L385-K388 VanDerWaalsContact O-N 3.16Å; L385-L389 HydrophobicContact CD1-CD1 4.39Å; L385-L389 HydrophobicContact CD1-CG 4.27Å; L385-L389 HydrophobicContact CG-CD1 4.07Å; L385-L389 HydrophobicContact CG-CG 4.38Å; L385-L389 WeakPolarHBondContact O-CG 3.35Å; L385-L389 PolarHBondContact O-N 2.92Å; L385-L426 HydrophobicContact CD1-CD2 4.47Å; L385-F430 HydrophobicContact CB-CZ 3.97Å; L385-F430 HydrophobicContact CD1-CE2 3.95Å; L385-F430 HydrophobicContact CD1-CZ 3.74Å; L385-F430 HydrophobicContact CG-CZ 4.44Å
386K92.8Very high92.7Very high21 Ų2115 Ų159%0.0919%0.088CC..Hα-helixtrans-53.8-50.8175.4-176.5178.9-179.8-175.10111.1V57 I61 E218 S220 L382 K388 L389 T390V57-K386 HydrophobicContact CG1-CB 3.63Å; V57-K386 HydrophobicContact CG1-CG 3.94Å; V57-K386 HydrophobicContact CG2-CB 4.2Å; I61-K386 HydrophobicContact CD1-CG 4.44Å; I61-K386 HydrophobicContact CG1-CG 4.11Å; E218-K386 HydrophobicContact CG-CD 4.1Å; E218-K386 IonicContact OE1-NZ 2.74Å; E218-K386 PolarHBondContact OE1-NZ 3.02Å; S220-K386 VanDerWaalsContact OG-CD 3.25Å; S220-K386 WeakPolarHBondContact OG-CD 3.32Å; S220-K386 WeakPolarHBondContact OG-CE 3.41Å; S220-K386 PolarHBondContact OG-NZ 3.26Å; L382-K386 PolarHBondContact O-N 2.86Å; K386-K388 VanDerWaalsContact C-N 3.32Å; K386-K388 PolarHBondContact O-N 3.46Å; K386-L389 PolarHBondContact O-N 3.12Å; K386-T390 PolarHBondContact O-N 3.24Å; K386-T390 PolarHBondContact O-OG1 3.13Å; K386-T390 VanDerWaalsContact O-OG1 3.14Å
387E92Very high92.4Very high24 Ų2418.5 Ų18.511%0.11210%0.103CC..Hα-helixtrans-60.2-41.2179.9-170.9-173.5161.700112.1M383 F384 L385 T390 A391 S441 K442 L445M383-E387 PolarHBondContact O-N 3.06Å; F384-E387 PolarHBondContact O-N 3.46Å; L385-E387 VanDerWaalsContact C-N 3.34Å; L385-E387 PolarHBondContact O-N 3.36Å; E387-T390 PolarHBondContact O-N 3.26Å; E387-A391 VanDerWaalsContact O-CB 3.32Å; E387-A391 WeakPolarHBondContact O-CB 3.29Å; E387-A391 PolarHBondContact O-N 3.48Å; E387-S441 VanDerWaalsContact OE1-CA 3.22Å; E387-S441 WeakPolarHBondContact OE1-CA 3.49Å; E387-S441 PolarHBondContact OE1-OG 3.33Å; E387-S441 WeakPolarHBondContact OE2-CB 3.34Å; E387-S441 PolarHBondContact OE2-OG 3.17Å; E387-K442 PolarHBondContact OE1-N 2.58Å; E387-L445 HydrophobicContact CB-CD2 4.31Å; E387-L445 VanDerWaalsContact OE2-CD2 3.27Å; E387-L445 WeakPolarHBondContact OE2-CD2 3.38Å
388K93Very high92Very high35 Ų3522.9 Ų22.915%0.15213%0.126CC..Hα-helixtrans-71.7-33.3179.2-63.6-50172.8-161.70113.1F384 L385 K386 A391 W392 L426 P429 H440F384-K388 HydrophobicContact CD1-CG 4.29Å; F384-K388 HydrophobicContact CE1-CG 4.01Å; F384-K388 HydrophobicContact CE2-CD 4.39Å; F384-K388 HydrophobicContact CE2-CG 4.37Å; F384-K388 HydrophobicContact CZ-CD 4.25Å; F384-K388 HydrophobicContact CZ-CG 4.08Å; F384-K388 WeakPolarHBondContact O-CG 3.35Å; F384-K388 PolarHBondContact O-N 3.42Å; L385-K388 PolarHBondContact O-N 3.42Å; L385-K388 VanDerWaalsContact O-N 3.16Å; K386-K388 VanDerWaalsContact C-N 3.32Å; K386-K388 PolarHBondContact O-N 3.46Å; K388-A391 PolarHBondContact O-N 3.25Å; K388-W392 WeakPolarHBondContact O-CB 3.39Å; K388-W392 PolarHBondContact O-N 3.31Å; K388-L426 HydrophobicContact CB-CD2 4.1Å; K388-L426 HydrophobicContact CB-CG 4.3Å; K388-P429 HydrophobicContact CD-CB 4.34Å; K388-H440 PolarHBondContact NZ-O 2.84Å
389L93Very high91.6Very high1 Ų123.7 Ų23.71%0.00513%0.132CC..Hα-helixtrans-65.5-44172.3-69.6174.3000111.6V57 I61 F77 L134 L385 K386 A391 W392 L393 L426V57-L389 HydrophobicContact CG1-CD1 4.13Å; I61-L389 HydrophobicContact CD1-CB 3.54Å; I61-L389 HydrophobicContact CD1-CD1 4.02Å; I61-L389 HydrophobicContact CD1-CG 4.44Å; F77-L389 HydrophobicContact CE1-CD2 4.48Å; F77-L389 HydrophobicContact CE2-CB 3.98Å; F77-L389 HydrophobicContact CZ-CB 4.28Å; F77-L389 HydrophobicContact CZ-CD2 4.05Å; L134-L389 HydrophobicContact CD1-CD2 3.41Å; L134-L389 VanDerWaalsContact CD1-CD2 3.41Å; L385-L389 HydrophobicContact CD1-CD1 4.39Å; L385-L389 HydrophobicContact CD1-CG 4.27Å; L385-L389 HydrophobicContact CG-CD1 4.07Å; L385-L389 HydrophobicContact CG-CG 4.38Å; L385-L389 WeakPolarHBondContact O-CG 3.35Å; L385-L389 PolarHBondContact O-N 2.92Å; K386-L389 PolarHBondContact O-N 3.12Å; L389-A391 VanDerWaalsContact C-N 3.35Å; L389-A391 PolarHBondContact O-N 3.02Å; L389-W392 WeakPolarHBondContact O-CB 3.5Å; L389-W392 PolarHBondContact O-N 2.81Å; L389-L393 PolarHBondContact O-N 3.04Å; L389-L393 VanDerWaalsContact O-N 3.15Å; L389-L426 HydrophobicContact CD2-CD2 4.04Å
390T91.6Very high91.2Very high56 Ų5623.8 Ų23.834%0.34413%0.132SC..Hα-helixtrans-63-41.4173.7-52.40000111.9K386 E387 W392 L393 T394K386-T390 PolarHBondContact O-N 3.24Å; K386-T390 PolarHBondContact O-OG1 3.13Å; K386-T390 VanDerWaalsContact O-OG1 3.14Å; E387-T390 PolarHBondContact O-N 3.26Å; T390-W392 VanDerWaalsContact C-N 3.28Å; T390-W392 PolarHBondContact O-N 2.78Å; T390-L393 PolarHBondContact O-N 3.02Å; T390-T394 PolarHBondContact O-N 3.05Å; T390-T394 PolarHBondContact O-OG1 3.46Å; T390-T394 VanDerWaalsContact O-OG1 3.1Å
391A91.3Very high90.7Very high44 Ų4427.1 Ų27.136%0.36415%0.15SC..Hα-helixtrans-65.5-32.917600000112.3E387 K388 L389 T394 S395E387-A391 VanDerWaalsContact O-CB 3.32Å; E387-A391 WeakPolarHBondContact O-CB 3.29Å; E387-A391 PolarHBondContact O-N 3.48Å; K388-A391 PolarHBondContact O-N 3.25Å; L389-A391 VanDerWaalsContact C-N 3.35Å; L389-A391 PolarHBondContact O-N 3.02Å; A391-T394 WeakPolarHBondContact O-CB 3.43Å; A391-T394 PolarHBondContact O-N 3.35Å; A391-S395 PolarHBondContact O-N 2.95Å
392W92.9Very high90.1Very high3 Ų334.4 Ų34.41%0.01118%0.182CC..Hα-helixtrans-64.1-46.9175.2-176.386.7000111.7F77 I118 Q132 L134 K388 L389 T390 T394 S395 V396 L420 S424 L426F77-W392 HydrophobicContact CE1-CE3 4.1Å; F77-W392 HydrophobicContact CE1-CZ3 4.09Å; F77-W392 AromaticContact CZ-CE3 3.61Å; F77-W392 HydrophobicContact CZ-CE3 3.61Å; F77-W392 HydrophobicContact CZ-CZ3 4.02Å; I118-W392 HydrophobicContact CD1-CH2 3.17Å; I118-W392 HydrophobicContact CD1-CZ2 4.27Å; I118-W392 HydrophobicContact CD1-CZ3 3.42Å; I118-W392 VanDerWaalsContact CD1-CZ3 3.42Å; I118-W392 HydrophobicContact CG1-CZ3 4.44Å; Q132-W392 HydrophobicContact CG-CH2 4.34Å; Q132-W392 HydrophobicContact CG-CZ2 4.07Å; L134-W392 HydrophobicContact CD2-CD2 3.84Å; L134-W392 VanDerWaalsContact CD2-CE2 3.42Å; L134-W392 HydrophobicContact CD2-CE3 4.26Å; L134-W392 HydrophobicContact CD2-CG 4.42Å; L134-W392 HydrophobicContact CD2-CH2 3.97Å; L134-W392 HydrophobicContact CD2-CZ2 3.51Å; L134-W392 HydrophobicContact CD2-CZ3 4.32Å; K388-W392 WeakPolarHBondContact O-CB 3.39Å; K388-W392 PolarHBondContact O-N 3.31Å; L389-W392 WeakPolarHBondContact O-CB 3.5Å; L389-W392 PolarHBondContact O-N 2.81Å; T390-W392 VanDerWaalsContact C-N 3.28Å; T390-W392 PolarHBondContact O-N 2.78Å; W392-T394 PolarHBondContact O-N 3.47Å; W392-S395 CarbonylContact O-C 3.45Å; W392-S395 WeakPolarHBondContact O-CA 3.43Å; W392-S395 VanDerWaalsContact O-CB 3.31Å; W392-S395 WeakPolarHBondContact O-CB 3.32Å; W392-S395 PolarHBondContact O-N 3.03Å; W392-V396 HydrophobicContact CD2-CG2 4.01Å; W392-V396 HydrophobicContact CE3-CG2 3.98Å; W392-V396 HydrophobicContact CH2-CG2 3.62Å; W392-V396 HydrophobicContact CZ2-CG2 3.65Å; W392-V396 HydrophobicContact CZ3-CG2 3.8Å; W392-V396 WeakPolarHBondContact O-CG2 3.47Å; W392-V396 PolarHBondContact O-N 2.75Å; W392-L420 HydrophobicContact CH2-CB 4.39Å; W392-L420 HydrophobicContact CH2-CD2 3.72Å; W392-L420 WeakPolarHBondContact CZ2-O 3.48Å; W392-L420 HydrophobicContact CZ3-CD2 4.38Å; W392-S424 PolarHBondContact NE1-O 3.29Å; W392-L426 HydrophobicContact CB-CD1 4.12Å; W392-L426 HydrophobicContact CG-CD1 4.04Å
393L91.1Very high89.1Confident3 Ų340.7 Ų40.72%0.01621%0.206CC..Hα-helixtrans-56.5-42.1174.2-69.8173.1000111.5I61 L64 L75 F77 L389 T390 S395 V396 K397I61-L393 HydrophobicContact CG2-CD1 3.83Å; L64-L393 HydrophobicContact CB-CB 4.31Å; L64-L393 HydrophobicContact CB-CD1 4.36Å; L64-L393 VanDerWaalsContact CD2-C 3.5Å; L64-L393 HydrophobicContact CD2-CB 3.78Å; L64-L393 VanDerWaalsContact CD2-O 3.23Å; L64-L393 WeakPolarHBondContact CD2-O 3.45Å; L75-L393 HydrophobicContact CB-CD2 4.24Å; F77-L393 HydrophobicContact CD2-CD1 3.87Å; F77-L393 HydrophobicContact CD2-CD2 4.4Å; F77-L393 HydrophobicContact CD2-CG 4.25Å; F77-L393 HydrophobicContact CE2-CD1 3.53Å; F77-L393 HydrophobicContact CE2-CD2 3.85Å; F77-L393 HydrophobicContact CE2-CG 3.49Å; F77-L393 VanDerWaalsContact CE2-CG 3.49Å; F77-L393 HydrophobicContact CZ-CD1 4.46Å; F77-L393 HydrophobicContact CZ-CD2 4.01Å; F77-L393 HydrophobicContact CZ-CG 3.96Å; L389-L393 PolarHBondContact O-N 3.04Å; L389-L393 VanDerWaalsContact O-N 3.15Å; T390-L393 PolarHBondContact O-N 3.02Å; L393-S395 VanDerWaalsContact C-N 3.34Å; L393-S395 PolarHBondContact O-N 3.35Å; L393-V396 WeakPolarHBondContact O-CB 3.47Å; L393-V396 PolarHBondContact O-N 2.92Å; L393-K397 PolarHBondContact O-N 2.85Å
394T89.7Confident87.5Confident61 Ų6140.2 Ų40.237%0.37420%0.204SC..Hα-helixtrans-64.2-38.7176-51.50000111.9T390 A391 W392 V396 K397 L398T390-T394 PolarHBondContact O-N 3.05Å; T390-T394 PolarHBondContact O-OG1 3.46Å; T390-T394 VanDerWaalsContact O-OG1 3.1Å; A391-T394 WeakPolarHBondContact O-CB 3.43Å; A391-T394 PolarHBondContact O-N 3.35Å; W392-T394 PolarHBondContact O-N 3.47Å; T394-V396 VanDerWaalsContact C-N 3.31Å; T394-V396 PolarHBondContact O-N 3.31Å; T394-K397 PolarHBondContact O-N 3.22Å; T394-L398 WeakPolarHBondContact O-CG 3.33Å; T394-L398 PolarHBondContact O-N 2.87Å
395S90.9Very high86Confident30 Ų3045.7 Ų45.721%0.2124%0.238CC..Hα-helixtrans-65.1-35.4174.7-172.20000112.2A391 W392 L393 S399 S424A391-S395 PolarHBondContact O-N 2.95Å; W392-S395 CarbonylContact O-C 3.45Å; W392-S395 WeakPolarHBondContact O-CA 3.43Å; W392-S395 VanDerWaalsContact O-CB 3.31Å; W392-S395 WeakPolarHBondContact O-CB 3.32Å; W392-S395 PolarHBondContact O-N 3.03Å; L393-S395 VanDerWaalsContact C-N 3.34Å; L393-S395 PolarHBondContact O-N 3.35Å; S395-S399 PolarHBondContact O-N 3.3Å; S395-S399 VanDerWaalsContact O-N 3.1Å; S395-S399 PolarHBondContact O-OG 3.12Å; S395-S424 PolarHBondContact OG-N 2.9Å
396V89.4Confident84.6Confident0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-65.9-48.1174171.70000109.6L75 W392 L393 T394 L398 S399 F400 L420L75-V396 HydrophobicContact CD1-CG1 3.72Å; W392-V396 HydrophobicContact CD2-CG2 4.01Å; W392-V396 HydrophobicContact CE3-CG2 3.98Å; W392-V396 HydrophobicContact CH2-CG2 3.62Å; W392-V396 HydrophobicContact CZ2-CG2 3.65Å; W392-V396 HydrophobicContact CZ3-CG2 3.8Å; W392-V396 WeakPolarHBondContact O-CG2 3.47Å; W392-V396 PolarHBondContact O-N 2.75Å; L393-V396 WeakPolarHBondContact O-CB 3.47Å; L393-V396 PolarHBondContact O-N 2.92Å; T394-V396 VanDerWaalsContact C-N 3.31Å; T394-V396 PolarHBondContact O-N 3.31Å; V396-L398 VanDerWaalsContact C-N 3.32Å; V396-L398 PolarHBondContact O-N 3.02Å; V396-S399 CarbonylContact O-C 3.58Å; V396-S399 WeakPolarHBondContact O-CA 3.37Å; V396-S399 VanDerWaalsContact O-CB 3.25Å; V396-S399 WeakPolarHBondContact O-CB 3.4Å; V396-S399 PolarHBondContact O-N 3.32Å; V396-F400 HydrophobicContact CG1-CD2 3.78Å; V396-F400 HydrophobicContact CG1-CE2 3.61Å; V396-F400 WeakPolarHBondContact O-CD2 3.39Å; V396-F400 PolarHBondContact O-N 3Å; V396-L420 HydrophobicContact CG1-CD2 3.83Å; V396-L420 HydrophobicContact CG2-CD2 4.31Å
397K88.6Confident83.2Confident75 Ų7555.5 Ų55.533%0.32628%0.283SS..Hα-helixtrans-52.4-47.9173.8175.2-177.3175.1-179.30112.3L64 F66 L393 T394 S399 F400 D401L64-K397 HydrophobicContact CD2-CB 3.98Å; F66-K397 HydrophobicContact CB-CD 3.95Å; F66-K397 HydrophobicContact CB-CG 4.3Å; F66-K397 HydrophobicContact CD1-CB 4.31Å; F66-K397 HydrophobicContact CD1-CD 4.33Å; F66-K397 HydrophobicContact CD1-CG 4.14Å; F66-K397 HydrophobicContact CD2-CG 4.15Å; F66-K397 HydrophobicContact CE1-CB 4.34Å; F66-K397 HydrophobicContact CG-CD 4.1Å; F66-K397 HydrophobicContact CG-CG 3.94Å; L393-K397 PolarHBondContact O-N 2.85Å; T394-K397 PolarHBondContact O-N 3.22Å; K397-S399 PolarHBondContact O-N 2.95Å; K397-F400 WeakPolarHBondContact O-CA 3.49Å; K397-F400 VanDerWaalsContact O-CB 3.3Å; K397-F400 WeakPolarHBondContact O-CB 3.49Å; K397-F400 PolarHBondContact O-N 3.25Å; K397-D401 PolarHBondContact O-N 2.77Å
398L87.4Confident81.3Confident94 Ų9461.2 Ų61.249%0.49232%0.32SS..Hα-helixtrans-60.2-30175.6-71.2171.5000113.2T394 V396 K402T394-L398 WeakPolarHBondContact O-CG 3.33Å; T394-L398 PolarHBondContact O-N 2.87Å; V396-L398 VanDerWaalsContact C-N 3.32Å; V396-L398 PolarHBondContact O-N 3.02Å; L398-K402 WeakPolarHBondContact O-CB 3.31Å; L398-K402 WeakPolarHBondContact O-CG 3.27Å; L398-K402 PolarHBondContact O-N 3.3Å
399S85.9Confident79.7Confident18 Ų1862.5 Ų62.513%0.12634%0.343CS..Hα-helixtrans-73.9-36.7174.9-55.30000111.6S395 V396 K397 R403S395-S399 PolarHBondContact O-N 3.3Å; S395-S399 VanDerWaalsContact O-N 3.1Å; S395-S399 PolarHBondContact O-OG 3.12Å; V396-S399 CarbonylContact O-C 3.58Å; V396-S399 WeakPolarHBondContact O-CA 3.37Å; V396-S399 VanDerWaalsContact O-CB 3.25Å; V396-S399 WeakPolarHBondContact O-CB 3.4Å; V396-S399 PolarHBondContact O-N 3.32Å; K397-S399 PolarHBondContact O-N 2.95Å; S399-R403 PolarHBondContact O-N 2.76Å; S399-R403 VanDerWaalsContact O-N 3.13Å
400F83.9Confident78.3Confident1 Ų171.3 Ų71.30%0.00438%0.384CS..Hα-helixtrans-59.8-46.7169.1-86.7-101.9000111.1F66 F68 L75 V396 K397 G404 L411 V416 L419F66-F400 HydrophobicContact CE2-CB 3.79Å; F66-F400 AromaticContact CE2-CD1 3.95Å; F66-F400 HydrophobicContact CE2-CD1 3.95Å; F66-F400 HydrophobicContact CE2-CD2 4.46Å; F66-F400 AromaticContact CE2-CG 3.83Å; F66-F400 HydrophobicContact CE2-CG 3.83Å; F66-F400 HydrophobicContact CZ-CB 4.11Å; F66-F400 AromaticContact CZ-CD1 3.99Å; F66-F400 HydrophobicContact CZ-CD1 3.99Å; F66-F400 AromaticContact CZ-CD2 3.94Å; F66-F400 HydrophobicContact CZ-CD2 3.94Å; F66-F400 HydrophobicContact CZ-CE1 4.36Å; F66-F400 HydrophobicContact CZ-CE2 4.33Å; F66-F400 AromaticContact CZ-CG 3.76Å; F66-F400 HydrophobicContact CZ-CG 3.76Å; F68-F400 HydrophobicContact CD2-CB 4.38Å; F68-F400 HydrophobicContact CD2-CD1 4.17Å; F68-F400 HydrophobicContact CE2-CD1 4.45Å; F68-F400 HydrophobicContact CG-CD1 4.35Å; L75-F400 HydrophobicContact CD1-CE2 4.41Å; V396-F400 HydrophobicContact CG1-CD2 3.78Å; V396-F400 HydrophobicContact CG1-CE2 3.61Å; V396-F400 WeakPolarHBondContact O-CD2 3.39Å; V396-F400 PolarHBondContact O-N 3Å; K397-F400 WeakPolarHBondContact O-CA 3.49Å; K397-F400 VanDerWaalsContact O-CB 3.3Å; K397-F400 WeakPolarHBondContact O-CB 3.49Å; K397-F400 PolarHBondContact O-N 3.25Å; F400-G404 VanDerWaalsContact O-CA 3.28Å; F400-G404 WeakPolarHBondContact O-CA 3.3Å; F400-G404 PolarHBondContact O-N 3.28Å; F400-L411 HydrophobicContact CE1-CD2 3.7Å; F400-L411 HydrophobicContact CZ-CD2 4.42Å; F400-V416 HydrophobicContact CZ-CG2 4.5Å; F400-L419 HydrophobicContact CD1-CD1 3.96Å; F400-L419 HydrophobicContact CD2-CB 4.41Å; F400-L419 HydrophobicContact CD2-CD1 4.23Å; F400-L419 HydrophobicContact CE1-CD1 3.75Å; F400-L419 HydrophobicContact CE2-CB 4.01Å; F400-L419 HydrophobicContact CE2-CD1 4.02Å; F400-L419 HydrophobicContact CG-CD1 4.2Å; F400-L419 HydrophobicContact CZ-CB 4.39Å; F400-L419 HydrophobicContact CZ-CD1 3.78Å
401D83.4Confident77.2Confident75 Ų7570.2 Ų70.240%0.40138%0.376SS..Hα-helixtrans-64.3-44.5-179.5-63.9-26.2000112.2K397K397-D401 PolarHBondContact O-N 2.77Å
402K82.1Confident76.5Confident162 Ų16270.4 Ų70.470%0.70438%0.375SS*.Hα-helixtrans-71.2-39.4-177.2-77-179.8-179-178.60114.8L398 T405L398-K402 WeakPolarHBondContact O-CB 3.31Å; L398-K402 WeakPolarHBondContact O-CG 3.27Å; L398-K402 PolarHBondContact O-N 3.3Å; K402-T405 PolarHBondContact O-OG1 3.03Å
403R71.6Confident75.8Confident133 Ų13373.6 Ų73.650%0.50239%0.394SS..Hα-helixtrans-105.3-19.7-174.1-99.3-173-179.6-170.70.8113.6S399 T405 K406 L407 L419 M422S399-R403 PolarHBondContact O-N 2.76Å; S399-R403 VanDerWaalsContact O-N 3.13Å; R403-T405 PolarHBondContact O-N 3.46Å; R403-K406 WeakPolarHBondContact O-CA 3.45Å; R403-K406 PolarHBondContact O-N 3.4Å; R403-L407 PolarHBondContact O-N 2.7Å; R403-L419 HydrophobicContact CB-CD2 4.28Å; R403-M422 VanDerWaalsContact CZ-CE 3.49Å; R403-M422 VanDerWaalsContact CZ-SD 3.55Å; R403-M422 PolarHBondContact NH1-SD 2.73Å
404G60.8Low75.3Confident2 Ų279.4 Ų79.42%0.02142%0.422CS..Hα-helixtrans-67.8-20177.800000114.3F68 K69 F400 K406F68-G404 VanDerWaalsContact CZ-CA 3.46Å; K69-G404 WeakPolarHBondContact CE-O 3.45Å; K69-G404 PolarHBondContact NZ-O 3.49Å; F400-G404 VanDerWaalsContact O-CA 3.28Å; F400-G404 WeakPolarHBondContact O-CA 3.3Å; F400-G404 PolarHBondContact O-N 3.28Å; G404-K406 PolarHBondContact O-N 3.29Å
405T60.8Low74.9Confident118 Ų11878.4 Ų78.472%0.72441%0.414SS*.THydrogen-bonded Turntrans-64-24.2165.131.60000113.3K402 R403K402-T405 PolarHBondContact O-OG1 3.03Å; R403-T405 PolarHBondContact O-N 3.46Å
406K64.6Low74.5Confident176 Ų17677 Ų7777%0.76540%0.404SS*.THydrogen-bonded Turntrans-100.6-16.8179.6-66.5-173.2177.4-173.60114.6R403 G404 T408R403-K406 WeakPolarHBondContact O-CA 3.45Å; R403-K406 PolarHBondContact O-N 3.4Å; G404-K406 PolarHBondContact O-N 3.29Å; K406-T408 PolarHBondContact O-N 3.1Å
407L63.3Low74.2Confident55 Ų5581.4 Ų81.429%0.28843%0.425SS..  trans-79.9114.1177.6-88.4142.9000110.2K69 R403 N415 L419K69-L407 PolarHBondContact NZ-O 3.27Å; R403-L407 PolarHBondContact O-N 2.7Å; L407-N415 HydrophobicContact CD2-CB 4.42Å; L407-L419 HydrophobicContact CD1-CD1 4.37Å; L407-L419 HydrophobicContact CD1-CD2 4.48Å
408T51.3Low74Confident144 Ų14483.9 Ų83.988%0.88344%0.436SS*.  trans-96.4104.4171.441.70000109.7K406K406-T408 PolarHBondContact O-N 3.1Å
409G60.3Low73.8Confident62 Ų6279.7 Ų79.764%0.63941%0.414SS*.SBendtrans145.5173.1178.700000114.4
410E63.5Low73.7Confident186 Ų18678.9 Ų78.987%0.86941%0.409SS*.  trans-66.9153.3171.1-70.6-170.5162.500111.9S412E410-S412 PolarHBondContact O-N 3.35Å
411L69.1Low73.8Confident32 Ų3282.4 Ų82.417%0.16843%0.434CS..  trans-71.494.8177.2-92.3149.2000110.5F68 V73 W120 I122 F400 V416F68-L411 HydrophobicContact CD1-CD1 3.46Å; F68-L411 VanDerWaalsContact CD1-CD1 3.46Å; F68-L411 HydrophobicContact CD1-CG 4.46Å; F68-L411 HydrophobicContact CE1-CD1 3.77Å; F68-L411 HydrophobicContact CE1-CG 4.32Å; F68-L411 HydrophobicContact CG-CD1 4.43Å; V73-L411 HydrophobicContact CG2-CD1 4.31Å; W120-L411 HydrophobicContact CZ3-CB 4.29Å; I122-L411 HydrophobicContact CD1-CB 4.06Å; F400-L411 HydrophobicContact CE1-CD2 3.7Å; F400-L411 HydrophobicContact CZ-CD2 4.42Å; L411-V416 HydrophobicContact CD2-CG2 3.58Å
412S75Confident73.7Confident49 Ų4982.6 Ų82.634%0.34343%0.433SS..  trans-78.6157.9169.269.60000112E410 E414 N415 V416E410-S412 PolarHBondContact O-N 3.35Å; S412-E414 VanDerWaalsContact C-N 3.28Å; S412-E414 PolarHBondContact O-N 2.97Å; S412-N415 PolarHBondContact O-N 3.37Å; S412-N415 VanDerWaalsContact OG-CG 3.3Å; S412-N415 PolarHBondContact OG-N 3.04Å; S412-N415 PolarHBondContact OG-ND2 3.3Å; S412-V416 PolarHBondContact O-N 3.01Å; S412-V416 VanDerWaalsContact O-N 3.11Å
413T79.3Confident73.6Confident69 Ų6975.6 Ų75.642%0.42341%0.407SS..Hα-helixtrans-54.8-41.4175.345.30000112.4W120 V416 M417W120-T413 HydrophobicContact CZ2-CG2 3.86Å; T413-V416 PolarHBondContact O-N 3.16Å; T413-M417 WeakPolarHBondContact O-CG 3.44Å; T413-M417 PolarHBondContact O-N 3Å
414E81.1Confident74.3Confident126 Ų12671.9 Ų71.959%0.58940%0.401SS*.Hα-helixtrans-65.1-39.4178.2-66-175.4-18000113.1S412 V416 M417 K418S412-E414 VanDerWaalsContact C-N 3.28Å; S412-E414 PolarHBondContact O-N 2.97Å; E414-V416 VanDerWaalsContact C-N 3.33Å; E414-M417 PolarHBondContact O-N 2.91Å; E414-K418 WeakPolarHBondContact O-CG 3.39Å; E414-K418 PolarHBondContact O-N 3.36Å
415N81.1Confident75.6Confident40 Ų4075.5 Ų75.521%0.21442%0.42CS..Hα-helixtrans-66-39.6177.2-74.1-19.1000110.7L407 S412 K418 L419L407-N415 HydrophobicContact CD2-CB 4.42Å; S412-N415 PolarHBondContact O-N 3.37Å; S412-N415 VanDerWaalsContact OG-CG 3.3Å; S412-N415 PolarHBondContact OG-N 3.04Å; S412-N415 PolarHBondContact OG-ND2 3.3Å; N415-K418 PolarHBondContact O-N 3.41Å; N415-L419 WeakPolarHBondContact O-CG 3.49Å; N415-L419 PolarHBondContact O-N 3.09Å
416V82Confident77.1Confident0 Ų070 Ų700%039%0.386CS..Hα-helixtrans-65.8-44.7174.5177.80000111W120 I130 F400 L411 S412 T413 E414 K418 L419 L420W120-V416 HydrophobicContact CD2-CG1 4.27Å; W120-V416 HydrophobicContact CD2-CG2 4.28Å; W120-V416 HydrophobicContact CE3-CG1 4.45Å; W120-V416 HydrophobicContact CE3-CG2 3.83Å; W120-V416 HydrophobicContact CG-CG1 4.48Å; W120-V416 HydrophobicContact CH2-CG2 3.82Å; W120-V416 HydrophobicContact CZ2-CG2 4.27Å; W120-V416 HydrophobicContact CZ3-CG2 3.57Å; I130-V416 HydrophobicContact CD1-CB 4.17Å; I130-V416 HydrophobicContact CD1-CG1 3.69Å; F400-V416 HydrophobicContact CZ-CG2 4.5Å; L411-V416 HydrophobicContact CD2-CG2 3.58Å; S412-V416 PolarHBondContact O-N 3.01Å; S412-V416 VanDerWaalsContact O-N 3.11Å; T413-V416 PolarHBondContact O-N 3.16Å; E414-V416 VanDerWaalsContact C-N 3.33Å; V416-K418 VanDerWaalsContact C-N 3.3Å; V416-K418 PolarHBondContact O-N 3.19Å; V416-L419 PolarHBondContact O-N 3.12Å; V416-L419 VanDerWaalsContact O-N 3.09Å; V416-L420 HydrophobicContact CG1-CD1 3.79Å; V416-L420 HydrophobicContact CG1-CG 4.03Å; V416-L420 WeakPolarHBondContact O-CB 3.24Å; V416-L420 VanDerWaalsContact O-CG 3.25Å; V416-L420 WeakPolarHBondContact O-CG 3.27Å; V416-L420 PolarHBondContact O-N 2.83Å
417M83.8Confident78.4Confident92 Ų9262.1 Ų62.145%0.45335%0.353SS..Hα-helixtrans-56.4-44.1174.8-73.3-175.5-16100112.1I130 T413 E414 L419 L420 S421I130-M417 HydrophobicContact CD1-CG 4.02Å; I130-M417 HydrophobicContact CG1-CE 4.34Å; I130-M417 HydrophobicContact CG1-CG 4.39Å; I130-M417 HydrophobicContact CG2-CE 4.46Å; I130-M417 HydrophobicContact CG2-CG 3.75Å; T413-M417 WeakPolarHBondContact O-CG 3.44Å; T413-M417 PolarHBondContact O-N 3Å; E414-M417 PolarHBondContact O-N 2.91Å; M417-L419 PolarHBondContact O-N 2.88Å; M417-L420 PolarHBondContact O-N 3.21Å; M417-S421 WeakPolarHBondContact O-CB 3.47Å; M417-S421 PolarHBondContact O-N 3.12Å
418K83.1Confident79.8Confident128 Ų12866.8 Ų66.856%0.55737%0.371SS*.Hα-helixtrans-61.1-43.7175.3-74.2173-174.9165.90111.6E414 N415 V416 S421 M422E414-K418 WeakPolarHBondContact O-CG 3.39Å; E414-K418 PolarHBondContact O-N 3.36Å; N415-K418 PolarHBondContact O-N 3.41Å; V416-K418 VanDerWaalsContact C-N 3.3Å; V416-K418 PolarHBondContact O-N 3.19Å; K418-S421 PolarHBondContact O-N 3.44Å; K418-S421 PolarHBondContact O-OG 3.16Å; K418-M422 WeakPolarHBondContact O-CG 3.29Å; K418-M422 PolarHBondContact O-N 3.02Å
419L83.3Confident81.8Confident6 Ų662 Ų623%0.03134%0.342CS..Hα-helixtrans-66.6-41.3178.1-71.5168.6000112.4F400 R403 L407 N415 V416 M417 S421 M422F400-L419 HydrophobicContact CD1-CD1 3.96Å; F400-L419 HydrophobicContact CD2-CB 4.41Å; F400-L419 HydrophobicContact CD2-CD1 4.23Å; F400-L419 HydrophobicContact CE1-CD1 3.75Å; F400-L419 HydrophobicContact CE2-CB 4.01Å; F400-L419 HydrophobicContact CE2-CD1 4.02Å; F400-L419 HydrophobicContact CG-CD1 4.2Å; F400-L419 HydrophobicContact CZ-CB 4.39Å; F400-L419 HydrophobicContact CZ-CD1 3.78Å; R403-L419 HydrophobicContact CB-CD2 4.28Å; L407-L419 HydrophobicContact CD1-CD1 4.37Å; L407-L419 HydrophobicContact CD1-CD2 4.48Å; N415-L419 WeakPolarHBondContact O-CG 3.49Å; N415-L419 PolarHBondContact O-N 3.09Å; V416-L419 PolarHBondContact O-N 3.12Å; V416-L419 VanDerWaalsContact O-N 3.09Å; M417-L419 PolarHBondContact O-N 2.88Å; L419-S421 VanDerWaalsContact C-N 3.32Å; L419-S421 PolarHBondContact O-N 3.19Å; L419-M422 PolarHBondContact O-N 3.06Å
420L85.1Confident83.4Confident1 Ų159.1 Ų59.11%0.00531%0.312CS..Hα-helixtrans-63.2-38.9175.7-66.1171.4000111.4I118 I130 Q132 W392 V396 V416 M417 M422 G423I118-L420 HydrophobicContact CD1-CD1 4.4Å; I118-L420 HydrophobicContact CD1-CD2 4.17Å; I130-L420 HydrophobicContact CB-CD1 4.1Å; I130-L420 HydrophobicContact CD1-CD1 3.82Å; I130-L420 HydrophobicContact CG2-CD1 3.89Å; Q132-L420 HydrophobicContact CG-CB 4.3Å; W392-L420 HydrophobicContact CH2-CB 4.39Å; W392-L420 HydrophobicContact CH2-CD2 3.72Å; W392-L420 WeakPolarHBondContact CZ2-O 3.48Å; W392-L420 HydrophobicContact CZ3-CD2 4.38Å; V396-L420 HydrophobicContact CG1-CD2 3.83Å; V396-L420 HydrophobicContact CG2-CD2 4.31Å; V416-L420 HydrophobicContact CG1-CD1 3.79Å; V416-L420 HydrophobicContact CG1-CG 4.03Å; V416-L420 WeakPolarHBondContact O-CB 3.24Å; V416-L420 VanDerWaalsContact O-CG 3.25Å; V416-L420 WeakPolarHBondContact O-CG 3.27Å; V416-L420 PolarHBondContact O-N 2.83Å; M417-L420 PolarHBondContact O-N 3.21Å; L420-M422 PolarHBondContact O-N 3.3Å; L420-G423 PolarHBondContact O-N 3.45Å; L420-G423 VanDerWaalsContact O-N 3.07Å
421S84.6Confident84.8Confident75 Ų7552.4 Ų52.452%0.52428%0.28SS..Hα-helixtrans-66.3-18.1177.176.90000114.3M417 K418 L419 G423M417-S421 WeakPolarHBondContact O-CB 3.47Å; M417-S421 PolarHBondContact O-N 3.12Å; K418-S421 PolarHBondContact O-N 3.44Å; K418-S421 PolarHBondContact O-OG 3.16Å; L419-S421 VanDerWaalsContact C-N 3.32Å; L419-S421 PolarHBondContact O-N 3.19Å; S421-G423 VanDerWaalsContact C-N 3.32Å
422M83.1Confident86.1Confident79 Ų7955.1 Ų55.139%0.38929%0.289SS..THydrogen-bonded Turntrans-87-2.4174.9-67-176.174.200113.3R403 K418 L419 L420R403-M422 VanDerWaalsContact CZ-CE 3.49Å; R403-M422 VanDerWaalsContact CZ-SD 3.55Å; R403-M422 PolarHBondContact NH1-SD 2.73Å; K418-M422 WeakPolarHBondContact O-CG 3.29Å; K418-M422 PolarHBondContact O-N 3.02Å; L419-M422 PolarHBondContact O-N 3.06Å; L420-M422 PolarHBondContact O-N 3.3Å
423G79.9Confident87Confident15 Ų1553 Ų5316%0.15527%0.274CS..SBendtrans-56.2158173.600000111.9L420 S421L420-G423 PolarHBondContact O-N 3.45Å; L420-G423 VanDerWaalsContact O-N 3.07Å; S421-G423 VanDerWaalsContact C-N 3.32Å
424S84.9Confident87.7Confident54 Ų5449.9 Ų49.938%0.37826%0.255SS..PPolyproline II helixtrans-61139.1178.651.90000111.7W392 S395 L426W392-S424 PolarHBondContact NE1-O 3.29Å; S395-S424 PolarHBondContact OG-N 2.9Å; S424-L426 WeakPolarHBondContact O-CD1 3.01Å
425D88.7Confident88.4Confident78 Ų7845.2 Ų45.242%0.41724%0.238SC..PPolyproline II helixtrans-77.5124.4175.5176.816000110.7G135 T427 P429G135-D425 WeakPolarHBondContact CA-OD1 3.49Å; D425-T427 PolarHBondContact O-N 3.47Å; D425-T427 VanDerWaalsContact OD1-CB 3.31Å; D425-T427 WeakPolarHBondContact OD1-CB 3.42Å; D425-T427 PolarHBondContact OD1-N 3.35Å; D425-T427 PolarHBondContact OD1-OG1 3.12Å; D425-T427 WeakPolarHBondContact OD2-CB 3.4Å; D425-T427 PolarHBondContact OD2-OG1 3.35Å; D425-P429 WeakPolarHBondContact O-CD 3.5Å
426L91.8Very high88.9Confident3 Ų346.3 Ų46.32%0.01625%0.246CC..SBendtrans-74.9-12.5-179.8-80.770.2000112.9L114 L134 L385 K388 L389 W392 S424 P429 F430L114-L426 HydrophobicContact CD2-CD2 3.93Å; L134-L426 HydrophobicContact CB-CD1 4.26Å; L134-L426 WeakPolarHBondContact O-CD1 3.43Å; L134-L426 PolarHBondContact O-N 3.27Å; L134-L426 VanDerWaalsContact O-N 3.14Å; L385-L426 HydrophobicContact CD1-CD2 4.47Å; K388-L426 HydrophobicContact CB-CD2 4.1Å; K388-L426 HydrophobicContact CB-CG 4.3Å; L389-L426 HydrophobicContact CD2-CD2 4.04Å; W392-L426 HydrophobicContact CB-CD1 4.12Å; W392-L426 HydrophobicContact CG-CD1 4.04Å; S424-L426 WeakPolarHBondContact O-CD1 3.01Å; L426-P429 WeakPolarHBondContact O-CD 3.22Å; L426-F430 WeakPolarHBondContact O-CD2 3.29Å
427T93.1Very high89.4Confident11 Ų1146.3 Ų46.37%0.06725%0.246CC..Hα-helixtrans-58.5-54.2-178.1-49.40000112.2K111 Q136 D425 F430 E431K111-T427 HydrophobicContact CD-CG2 4.15Å; Q136-T427 HydrophobicContact CB-CG2 4.3Å; Q136-T427 PolarHBondContact N-OG1 3.25Å; Q136-T427 VanDerWaalsContact O-CA 3.26Å; Q136-T427 WeakPolarHBondContact O-CA 3.41Å; Q136-T427 WeakPolarHBondContact O-CB 3.38Å; Q136-T427 WeakPolarHBondContact O-CG2 3.46Å; Q136-T427 PolarHBondContact O-OG1 3.47Å; D425-T427 PolarHBondContact O-N 3.47Å; D425-T427 VanDerWaalsContact OD1-CB 3.31Å; D425-T427 WeakPolarHBondContact OD1-CB 3.42Å; D425-T427 PolarHBondContact OD1-N 3.35Å; D425-T427 PolarHBondContact OD1-OG1 3.12Å; D425-T427 WeakPolarHBondContact OD2-CB 3.4Å; D425-T427 PolarHBondContact OD2-OG1 3.35Å; T427-F430 PolarHBondContact O-N 3.28Å; T427-E431 HydrophobicContact CG2-CG 4.23Å; T427-E431 WeakPolarHBondContact O-CG 3.49Å; T427-E431 PolarHBondContact O-N 2.94Å
428K91.9Very high89.8Confident153 Ų15344.1 Ų44.167%0.66524%0.236SC*.Hα-helixtrans-62.8-43-174.2-61.9-179.4-178.3178.70113.6F430 E431 Y432K428-F430 VanDerWaalsContact C-N 3.34Å; K428-F430 PolarHBondContact O-N 2.98Å; K428-E431 PolarHBondContact O-N 3.31Å; K428-Y432 VanDerWaalsContact O-CB 3.32Å; K428-Y432 WeakPolarHBondContact O-CB 3.42Å; K428-Y432 PolarHBondContact O-N 3.03Å
429P93.6Very high90.1Very high44 Ų4438.2 Ų38.229%0.28621%0.211SC..Hα-helixtrans-56.3-42.7174-28.433.7000114.4F384 K388 D425 L426 L433F384-P429 HydrophobicContact CE1-CB 4.42Å; F384-P429 HydrophobicContact CZ-CB 4.19Å; K388-P429 HydrophobicContact CD-CB 4.34Å; D425-P429 WeakPolarHBondContact O-CD 3.5Å; L426-P429 WeakPolarHBondContact O-CD 3.22Å; P429-L433 PolarHBondContact O-N 3.44Å
430F93.9Very high90.3Very high0 Ų043.5 Ų43.50%024%0.235CC..Hα-helixtrans-71-41.5177.7-86-90.1000111.9V137 P138 Y381 F384 L385 L426 T427 K428 Y432 L433 L434V137-F430 HydrophobicContact CG1-CD2 4.11Å; V137-F430 HydrophobicContact CG1-CE2 4.24Å; V137-F430 HydrophobicContact CG1-CG 4.47Å; P138-F430 HydrophobicContact CG-CB 4.36Å; Y381-F430 HydrophobicContact CD1-CE1 4.13Å; Y381-F430 HydrophobicContact CD2-CD1 4.21Å; Y381-F430 AromaticContact CD2-CE1 3.83Å; Y381-F430 HydrophobicContact CD2-CE1 3.83Å; Y381-F430 AromaticContact CE1-CE1 3.8Å; Y381-F430 HydrophobicContact CE1-CE1 3.8Å; Y381-F430 HydrophobicContact CE1-CZ 4.33Å; Y381-F430 AromaticContact CE2-CD1 3.66Å; Y381-F430 HydrophobicContact CE2-CD1 3.66Å; Y381-F430 AromaticContact CE2-CE1 3.51Å; Y381-F430 HydrophobicContact CE2-CE1 3.51Å; Y381-F430 HydrophobicContact CG-CE1 4.15Å; Y381-F430 AromaticContact CZ-CD1 3.92Å; Y381-F430 AromaticContact CZ-CE1 3.51Å; F384-F430 HydrophobicContact CD1-CD1 4.02Å; F384-F430 HydrophobicContact CD1-CD2 4.32Å; F384-F430 AromaticContact CD1-CE1 3.65Å; F384-F430 HydrophobicContact CD1-CE1 3.65Å; F384-F430 AromaticContact CD1-CE2 3.99Å; F384-F430 HydrophobicContact CD1-CE2 3.99Å; F384-F430 HydrophobicContact CD1-CG 4.34Å; F384-F430 AromaticContact CD1-CZ 3.64Å; F384-F430 HydrophobicContact CD1-CZ 3.64Å; F384-F430 HydrophobicContact CE1-CD1 4.14Å; F384-F430 HydrophobicContact CE1-CD2 4.01Å; F384-F430 HydrophobicContact CE1-CE1 4.2Å; F384-F430 HydrophobicContact CE1-CE2 4.07Å; F384-F430 HydrophobicContact CE1-CG 4.05Å; F384-F430 HydrophobicContact CE1-CZ 4.16Å; L385-F430 HydrophobicContact CB-CZ 3.97Å; L385-F430 HydrophobicContact CD1-CE2 3.95Å; L385-F430 HydrophobicContact CD1-CZ 3.74Å; L385-F430 HydrophobicContact CG-CZ 4.44Å; L426-F430 WeakPolarHBondContact O-CD2 3.29Å; T427-F430 PolarHBondContact O-N 3.28Å; K428-F430 VanDerWaalsContact C-N 3.34Å; K428-F430 PolarHBondContact O-N 2.98Å; F430-Y432 VanDerWaalsContact C-N 3.29Å; F430-Y432 PolarHBondContact O-N 3.44Å; F430-L433 PolarHBondContact O-N 3.36Å; F430-L434 PolarHBondContact O-N 3.02Å
431E93.6Very high90.4Very high45 Ų4543.9 Ų43.921%0.2124%0.238CC..Hα-helixtrans-59.9-42.8174.8-70-175154.200111.3K111 M172 T427 K428 A435K111-E431 WeakPolarHBondContact CD-OE1 3.29Å; K111-E431 IonicContact NZ-OE1 2.78Å; K111-E431 PolarHBondContact NZ-OE1 3.24Å; M172-E431 HydrophobicContact CE-CB 3.84Å; M172-E431 HydrophobicContact CE-CG 3.69Å; T427-E431 HydrophobicContact CG2-CG 4.23Å; T427-E431 WeakPolarHBondContact O-CG 3.49Å; T427-E431 PolarHBondContact O-N 2.94Å; K428-E431 PolarHBondContact O-N 3.31Å; E431-A435 WeakPolarHBondContact O-CB 3.25Å; E431-A435 PolarHBondContact O-N 3.03Å
432Y94.6Very high90.2Very high90 Ų9048.7 Ų48.735%0.35325%0.249SC..Hα-helixtrans-62.4-48.9177-178.1-93.7000112.2K428 F430 L434 T436 N438 H440K428-Y432 VanDerWaalsContact O-CB 3.32Å; K428-Y432 WeakPolarHBondContact O-CB 3.42Å; K428-Y432 PolarHBondContact O-N 3.03Å; F430-Y432 VanDerWaalsContact C-N 3.29Å; F430-Y432 PolarHBondContact O-N 3.44Å; Y432-L434 PolarHBondContact O-N 3.41Å; Y432-T436 HydrophobicContact CD2-CG2 3.94Å; Y432-T436 HydrophobicContact CE2-CG2 3.76Å; Y432-T436 WeakPolarHBondContact O-CB 3.36Å; Y432-T436 PolarHBondContact O-N 3.07Å; Y432-T436 PolarHBondContact O-OG1 3.04Å; Y432-N438 HydrophobicContact CE1-CB 3.92Å; Y432-H440 AromaticContact CD1-ND1 3.78Å; Y432-H440 AromaticContact CE1-CE1 3.18Å; Y432-H440 WeakPolarHBondContact CE1-CE1 3.42Å; Y432-H440 AromaticContact CE1-ND1 3.24Å; Y432-H440 WeakPolarHBondContact CE1-ND1 3.15Å; Y432-H440 AromaticContact CE1-NE2 3.94Å; Y432-H440 AromaticContact CZ-CE1 3.33Å; Y432-H440 AromaticContact CZ-ND1 3.83Å; Y432-H440 PolarHBondContact OH-CE1 3.42Å
433L94.5Very high90.2Very high5 Ų548.1 Ų48.13%0.02625%0.25CS..Hα-helixtrans-58.2-50179.9174.564.1000111.3F384 P429 F430 G437 N438 L439 L453F384-L433 HydrophobicContact CB-CD2 4.37Å; F384-L433 HydrophobicContact CD1-CD2 3.61Å; F384-L433 HydrophobicContact CD2-CD2 4.11Å; F384-L433 HydrophobicContact CE1-CB 4.28Å; F384-L433 HydrophobicContact CE1-CD2 3.76Å; F384-L433 HydrophobicContact CE2-CD2 4.21Å; F384-L433 HydrophobicContact CG-CD2 3.78Å; F384-L433 HydrophobicContact CZ-CB 4.21Å; F384-L433 HydrophobicContact CZ-CD2 4.04Å; P429-L433 PolarHBondContact O-N 3.44Å; F430-L433 PolarHBondContact O-N 3.36Å; L433-G437 WeakPolarHBondContact O-CA 3.22Å; L433-G437 PolarHBondContact O-N 3.32Å; L433-N438 WeakPolarHBondContact CD1-O 3.4Å; L433-L439 HydrophobicContact CD1-CB 4.25Å; L433-L439 HydrophobicContact CD1-CD1 4.15Å; L433-L453 HydrophobicContact CD1-CD1 4.24Å
434L95Very high90.2Very high3 Ų347.7 Ų47.72%0.01625%0.246CC..Hα-helixtrans-76.9-32.9-175.1-66.8174.9000112.8P138 F170 M172 K177 V179 F430 Y432P138-L434 HydrophobicContact CB-CD1 3.66Å; P138-L434 HydrophobicContact CG-CD1 3.81Å; F170-L434 HydrophobicContact CB-CD1 4.26Å; F170-L434 HydrophobicContact CD1-CD1 3.95Å; F170-L434 HydrophobicContact CD2-CD1 4.26Å; F170-L434 HydrophobicContact CD2-CD2 3.99Å; F170-L434 HydrophobicContact CE1-CD1 4.35Å; F170-L434 HydrophobicContact CE2-CD2 4.21Å; F170-L434 HydrophobicContact CG-CD1 3.89Å; F170-L434 HydrophobicContact CG-CD2 4.43Å; M172-L434 HydrophobicContact CE-CB 4.42Å; M172-L434 HydrophobicContact CG-CB 3.85Å; M172-L434 HydrophobicContact SD-CB 3.94Å; M172-L434 HydrophobicContact SD-CD1 4.09Å; K177-L434 WeakPolarHBondContact CG-O 3.35Å; V179-L434 HydrophobicContact CG2-CD2 3.69Å; F430-L434 PolarHBondContact O-N 3.02Å; Y432-L434 PolarHBondContact O-N 3.41Å
435A94Very high90.1Very high28 Ų2845.8 Ų45.823%0.23123%0.232CC..Hα-helixtrans-73.5-44.217800000112.3K177 E431K177-A435 PolarHBondContact NZ-O 3.42Å; E431-A435 WeakPolarHBondContact O-CB 3.25Å; E431-A435 PolarHBondContact O-N 3.03Å
436T93.1Very high89.5Confident62 Ų6243.1 Ų43.138%0.3822%0.222SC..Hα-helixtrans-95.2-25.1-174.469.40000113.9Y432 N438Y432-T436 HydrophobicContact CD2-CG2 3.94Å; Y432-T436 HydrophobicContact CE2-CG2 3.76Å; Y432-T436 WeakPolarHBondContact O-CB 3.36Å; Y432-T436 PolarHBondContact O-N 3.07Å; Y432-T436 PolarHBondContact O-OG1 3.04Å; T436-N438 VanDerWaalsContact C-N 3.25Å; T436-N438 WeakPolarHBondContact OG1-CB 3.12Å; T436-N438 PolarHBondContact OG1-N 3.43Å
437G91.6Very high89.2Confident0 Ų043.9 Ų43.90%023%0.226CC..  trans74.911.1-171.300000114.3L433 T451 G452 L453L433-G437 WeakPolarHBondContact O-CA 3.22Å; L433-G437 PolarHBondContact O-N 3.32Å; G437-T451 CarbonylContact O-C 3.59Å; G437-G452 PolarHBondContact O-N 3.49Å; G437-G452 VanDerWaalsContact O-N 3.08Å; G437-L453 PolarHBondContact O-N 2.81Å
438N92.2Very high88.6Confident47 Ų4749.5 Ų49.525%0.25126%0.255SS..  trans-101129.8-179.6-63.8-25.9000111.8Y432 L433 T436 N450 T451Y432-N438 HydrophobicContact CE1-CB 3.92Å; L433-N438 WeakPolarHBondContact CD1-O 3.4Å; T436-N438 VanDerWaalsContact C-N 3.25Å; T436-N438 WeakPolarHBondContact OG1-CB 3.12Å; T436-N438 PolarHBondContact OG1-N 3.43Å; N438-N450 CarbonylContact C-O 3.57Å; N438-N450 WeakPolarHBondContact CA-O 3.47Å; N438-T451 WeakPolarHBondContact OD1-CB 3.38Å; N438-T451 VanDerWaalsContact OD1-CG2 3.28Å; N438-T451 WeakPolarHBondContact OD1-CG2 3.48Å
439L89.5Confident88.2Confident4 Ų442.9 Ų42.92%0.02123%0.227CC..  trans-95.1110.2179.7-179.466.1000111.1F384 L433 S441 L445 N450 L453F384-L439 HydrophobicContact CD2-CD1 3.56Å; F384-L439 HydrophobicContact CE2-CD1 3.77Å; L433-L439 HydrophobicContact CD1-CB 4.25Å; L433-L439 HydrophobicContact CD1-CD1 4.15Å; L439-S441 PolarHBondContact O-N 2.79Å; L439-L445 HydrophobicContact CD1-CD1 3.74Å; L439-L445 HydrophobicContact CD2-CB 4.39Å; L439-L445 HydrophobicContact CD2-CD1 3.87Å; L439-L445 HydrophobicContact CD2-CG 4.16Å; L439-L445 HydrophobicContact CG-CD1 4.42Å; L439-N450 HydrophobicContact CB-CB 4.48Å; L439-N450 PolarHBondContact N-O 3.18Å; L439-L453 HydrophobicContact CB-CD1 3.65Å; L439-L453 HydrophobicContact CD2-CD1 4.19Å; L439-L453 HydrophobicContact CG-CD1 4.38Å
440H87.5Confident87.9Confident116 Ų11644 Ų4454%0.53723%0.23SC..  trans-95.191.3167.1-68.2154000110.2K388 Y432K388-H440 PolarHBondContact NZ-O 2.84Å; Y432-H440 AromaticContact CD1-ND1 3.78Å; Y432-H440 AromaticContact CE1-CE1 3.18Å; Y432-H440 WeakPolarHBondContact CE1-CE1 3.42Å; Y432-H440 AromaticContact CE1-ND1 3.24Å; Y432-H440 WeakPolarHBondContact CE1-ND1 3.15Å; Y432-H440 AromaticContact CE1-NE2 3.94Å; Y432-H440 AromaticContact CZ-CE1 3.33Å; Y432-H440 AromaticContact CZ-ND1 3.83Å; Y432-H440 PolarHBondContact OH-CE1 3.42Å
441S86.6Confident87.7Confident10 Ų1047.6 Ų47.67%0.0725%0.252CS..  trans-124.5138.9-180172.40000111.3K242 E387 L439 T443 G444K242-S441 WeakPolarHBondContact CE-O 3.18Å; K242-S441 PolarHBondContact NZ-O 3.32Å; E387-S441 VanDerWaalsContact OE1-CA 3.22Å; E387-S441 WeakPolarHBondContact OE1-CA 3.49Å; E387-S441 PolarHBondContact OE1-OG 3.33Å; E387-S441 WeakPolarHBondContact OE2-CB 3.34Å; E387-S441 PolarHBondContact OE2-OG 3.17Å; L439-S441 PolarHBondContact O-N 2.79Å; S441-T443 PolarHBondContact OG-N 3.48Å; S441-T443 PolarHBondContact OG-OG1 3.05Å; S441-G444 PolarHBondContact OG-N 2.74Å
442K82.2Confident87.4Confident175 Ų17547.1 Ų47.176%0.76126%0.259SS*.SBendtrans-75.7-39.1171.8-72.1-173.8177.6-176.40111.3K242 E387K242-K442 WeakPolarHBondContact CD-O 3.37Å; K242-K442 WeakPolarHBondContact CE-O 3.5Å; K242-K442 WeakPolarHBondContact CG-O 3.4Å; E387-K442 PolarHBondContact OE1-N 2.58Å
443T81.6Confident87.2Confident67 Ų6742.9 Ų42.941%0.41124%0.242SC..SBendtrans-84.2-22.7-177.960.50000112.8S441 L445S441-T443 PolarHBondContact OG-N 3.48Å; S441-T443 PolarHBondContact OG-OG1 3.05Å; T443-L445 PolarHBondContact OG1-N 2.95Å
444G79.4Confident87.2Confident7 Ų743.1 Ų43.17%0.07224%0.244CC..G310 helixtrans78.73.4-172.900000113.9S441 G446 I447S441-G444 PolarHBondContact OG-N 2.74Å; G444-G446 PolarHBondContact O-N 2.86Å; G444-I447 PolarHBondContact O-N 3.17Å
445L82.9Confident87.2Confident14 Ų1444.2 Ų44.27%0.07325%0.251CS..G310 helixtrans51.221.8179-58.5-174.3000114.9L380 M383 F384 E387 L439 T443 I447L380-L445 HydrophobicContact CD1-CD1 4.28Å; M383-L445 HydrophobicContact CB-CD1 4.23Å; M383-L445 HydrophobicContact CB-CD2 4.2Å; M383-L445 HydrophobicContact CE-CB 4.1Å; M383-L445 WeakPolarHBondContact CE-O 3.37Å; F384-L445 HydrophobicContact CB-CD1 4.19Å; F384-L445 HydrophobicContact CD2-CD1 4.38Å; E387-L445 HydrophobicContact CB-CD2 4.31Å; E387-L445 VanDerWaalsContact OE2-CD2 3.27Å; E387-L445 WeakPolarHBondContact OE2-CD2 3.38Å; L439-L445 HydrophobicContact CD1-CD1 3.74Å; L439-L445 HydrophobicContact CD2-CB 4.39Å; L439-L445 HydrophobicContact CD2-CD1 3.87Å; L439-L445 HydrophobicContact CD2-CG 4.16Å; L439-L445 HydrophobicContact CG-CD1 4.42Å; T443-L445 PolarHBondContact OG1-N 2.95Å; L445-I447 HydrophobicContact CB-CD1 4.24Å; L445-I447 HydrophobicContact CB-CG1 4.24Å; L445-I447 WeakPolarHBondContact O-CG1 3.46Å; L445-I447 PolarHBondContact O-N 2.84Å
446G77.3Confident87.2Confident21 Ų2145.4 Ų45.422%0.21626%0.255CS..G310 helixtrans67.613.4-175.700000114.8Q184 G444Q184-G446 PolarHBondContact NE2-O 3.31Å; G444-G446 PolarHBondContact O-N 2.86Å
447I84.3Confident87.3Confident20 Ų2042.7 Ų42.710%0.10324%0.239CC..  trans-102143.5179.6-45.7175.3000109.4L182 L375 L380 G444 L445 Q449L182-I447 HydrophobicContact CD1-CG2 4.38Å; L375-I447 HydrophobicContact CD2-CD1 3.74Å; L375-I447 HydrophobicContact CD2-CG1 4.25Å; L380-I447 HydrophobicContact CD1-CD1 3.52Å; G444-I447 PolarHBondContact O-N 3.17Å; L445-I447 HydrophobicContact CB-CD1 4.24Å; L445-I447 HydrophobicContact CB-CG1 4.24Å; L445-I447 WeakPolarHBondContact O-CG1 3.46Å; L445-I447 PolarHBondContact O-N 2.84Å; I447-Q449 VanDerWaalsContact C-N 3.29Å; I447-Q449 HydrophobicContact CG2-CG 3.95Å; I447-Q449 PolarHBondContact O-N 3.17Å
448L81Confident87.2Confident129 Ų12945.8 Ų45.868%0.67526%0.256SS*.SBendtrans-78-8.8179.2-64.7174.4000114.3F478L448-F478 HydrophobicContact CD1-CE2 4.03Å; L448-F478 HydrophobicContact CD1-CZ 3.85Å
449Q84.8Confident87.1Confident14 Ų1444.5 Ų44.57%0.06525%0.248CC..  trans-132.3146.7-175.866.5175.1-1.100111.7I447 L453 A476I447-Q449 VanDerWaalsContact C-N 3.29Å; I447-Q449 HydrophobicContact CG2-CG 3.95Å; I447-Q449 PolarHBondContact O-N 3.17Å; Q449-L453 HydrophobicContact CG-CD2 4.06Å; Q449-A476 VanDerWaalsContact OE1-CB 3.26Å
450N86.4Confident87.2Confident67 Ų6745.1 Ų45.136%0.35825%0.251SS..SBendtrans-115.32.2179.6-61.5-16.8000112.9N438 L439N438-N450 CarbonylContact C-O 3.57Å; N438-N450 WeakPolarHBondContact CA-O 3.47Å; L439-N450 HydrophobicContact CB-CB 4.48Å; L439-N450 PolarHBondContact N-O 3.18Å
451T89.4Confident87.6Confident76 Ų7639.7 Ų39.747%0.46623%0.226SC..SBendtrans-135158.5-176.362.50000110.6G437 N438 L453G437-T451 CarbonylContact O-C 3.59Å; N438-T451 WeakPolarHBondContact OD1-CB 3.38Å; N438-T451 VanDerWaalsContact OD1-CG2 3.28Å; N438-T451 WeakPolarHBondContact OD1-CG2 3.48Å; T451-L453 VanDerWaalsContact C-N 3.32Å; T451-L453 PolarHBondContact O-N 3.49Å
452G86.8Confident87.9Confident34 Ų3439.7 Ų39.735%0.35123%0.225SC..  trans71.921.6176.500000114.9G437G437-G452 PolarHBondContact O-N 3.49Å; G437-G452 VanDerWaalsContact O-N 3.08Å
453L91.4Very high88.6Confident1 Ų131.9 Ų31.91%0.00519%0.191CC..SBendtrans-74.3-32.2178.8-58.9-179.8000112.5R180 L182 L380 L433 G437 L439 Q449 T451R180-L453 PolarHBondContact N-O 2.88Å; L182-L453 HydrophobicContact CD1-CD2 3.48Å; L182-L453 VanDerWaalsContact CD1-CD2 3.48Å; L380-L453 HydrophobicContact CD1-CD1 4.5Å; L380-L453 HydrophobicContact CD2-CB 4.35Å; L380-L453 HydrophobicContact CD2-CD1 4.22Å; L433-L453 HydrophobicContact CD1-CD1 4.24Å; G437-L453 PolarHBondContact O-N 2.81Å; L439-L453 HydrophobicContact CB-CD1 3.65Å; L439-L453 HydrophobicContact CD2-CD1 4.19Å; L439-L453 HydrophobicContact CG-CD1 4.38Å; Q449-L453 HydrophobicContact CG-CD2 4.06Å; T451-L453 VanDerWaalsContact C-N 3.32Å; T451-L453 PolarHBondContact O-N 3.49Å
454C94.1Very high89.2Confident10 Ų1032 Ų327%0.06818%0.184CC..EExtended strand (participates in β ladder)trans-118.9139.9178.7-56.50000110.2V178V178-C454 CarbonylContact O-C 3.49Å; V178-C454 WeakPolarHBondContact O-CA 3.43Å
455V94.5Very high90Very high26 Ų2631.9 Ų31.916%0.15818%0.182CC..EExtended strand (participates in β ladder)trans-131.1161.6175.8-64.20000111.6K177 V178 R180K177-V455 CarbonylContact C-O 3.6Å; K177-V455 WeakPolarHBondContact CA-O 3.37Å; V178-V455 HydrophobicContact CG1-CG2 3.58Å; V178-V455 PolarHBondContact N-O 3.46Å; V178-V455 PolarHBondContact O-N 2.77Å; R180-V455 HydrophobicContact CG-CG1 4.37Å; R180-V455 HydrophobicContact CG-CG2 3.93Å
456V95.3Very high90.5Very high53 Ų5331.3 Ų31.332%0.32118%0.179SC..EExtended strand (participates in β ladder)trans-68.7132.2172.6-178.10000108.4I175 E176 K177 D458 H468I175-V456 HydrophobicContact CG2-CG1 3.95Å; I175-V456 HydrophobicContact CG2-CG2 4.18Å; E176-V456 WeakPolarHBondContact O-CA 3.38Å; K177-V456 HydrophobicContact CD-CG2 4.17Å; V456-D458 PolarHBondContact O-N 3.06Å; V456-D458 VanDerWaalsContact O-N 3.16Å; V456-H468 PolarHBondContact O-CE1 2.69Å
457A94.1Very high91.3Very high5 Ų530.4 Ų30.44%0.04117%0.169CC..  trans-78.692.1169.700000107.8E176 V178 K459 Y465E176-A457 HydrophobicContact CB-CB 4.09Å; E176-A457 PolarHBondContact O-N 3.24Å; V178-A457 HydrophobicContact CB-CB 4.45Å; V178-A457 HydrophobicContact CG1-CB 4.32Å; A457-K459 PolarHBondContact O-N 2.83Å; A457-K459 VanDerWaalsContact O-N 3.12Å; A457-Y465 HydrophobicContact CB-CD2 4.27Å; A457-Y465 HydrophobicContact CB-CE2 3.93Å
458D90.4Very high91.9Very high65 Ų6530.2 Ų30.235%0.34817%0.168SC..  trans-71.9108-172.7-66.8-40.8000110.6V456 L460 R464 H468V456-D458 PolarHBondContact O-N 3.06Å; V456-D458 VanDerWaalsContact O-N 3.16Å; D458-L460 PolarHBondContact O-N 3.23Å; D458-R464 HydrophobicContact CB-CG 4.01Å; D458-R464 VanDerWaalsContact O-CG 3.3Å; D458-R464 WeakPolarHBondContact O-CG 3.32Å; D458-R464 IonicContact OD2-CZ 3.03Å; D458-R464 IonicContact OD2-NE 3.95Å; D458-R464 IonicContact OD2-NH2 3.09Å; D458-R464 PolarHBondContact OD2-NH2 3.48Å; D458-H468 PolarHBondContact N-NE2 2.92Å
459K90.3Very high92.6Very high21 Ų2124.1 Ų24.19%0.09114%0.136CC..THydrogen-bonded Turntrans-80.751.2170.2-68.4-155.4179.7-151.20112.5E162 E176 A457 Y465 L700 L711E162-K459 IonicContact OE1-NZ 2.92Å; E162-K459 PolarHBondContact OE1-NZ 2.67Å; E176-K459 WeakPolarHBondContact OE2-CE 3.5Å; A457-K459 PolarHBondContact O-N 2.83Å; A457-K459 VanDerWaalsContact O-N 3.12Å; K459-Y465 HydrophobicContact CD-CD2 4.32Å; K459-Y465 HydrophobicContact CD-CE2 4.27Å; K459-Y465 HydrophobicContact CG-CD2 3.57Å; K459-Y465 HydrophobicContact CG-CE2 3.86Å; K459-Y465 HydrophobicContact CG-CG 4.23Å; K459-L700 HydrophobicContact CB-CD2 4.25Å; K459-L700 HydrophobicContact CD-CD2 3.42Å; K459-L700 VanDerWaalsContact CD-CD2 3.42Å; K459-L700 HydrophobicContact CG-CD2 4.47Å; K459-L711 HydrophobicContact CB-CD2 4.22Å
460L92.1Very high93.2Very high16 Ų1624.1 Ų24.18%0.08414%0.135CC..THydrogen-bonded Turntrans-68.6-44.5174-174.5140.2000111.3D458 R464 T695 Y712 R1002D458-L460 PolarHBondContact O-N 3.23Å; L460-R464 HydrophobicContact CB-CG 4.37Å; L460-T695 WeakPolarHBondContact CD2-O 3.42Å; L460-Y712 HydrophobicContact CD1-CD2 3.91Å; L460-Y712 HydrophobicContact CD1-CE2 3.86Å; L460-Y712 HydrophobicContact CG-CD2 3.92Å; L460-Y712 HydrophobicContact CG-CE2 4.37Å; L460-R1002 HydrophobicContact CD1-CB 4.09Å; L460-R1002 HydrophobicContact CD1-CG 4.24Å
461N94.4Very high93.6Very high2 Ų221.4 Ų21.41%0.01112%0.121CC..SBendtrans-153.3172.216866.336.6000107.6I463 R464 Y465 G692 T695N461-I463 PolarHBondContact O-N 3.01Å; N461-I463 WeakPolarHBondContact OD1-CA 3.29Å; N461-I463 WeakPolarHBondContact OD1-CB 3.31Å; N461-I463 PolarHBondContact OD1-N 3.12Å; N461-R464 PolarHBondContact O-N 2.93Å; N461-R464 WeakPolarHBondContact OD1-CB 3.33Å; N461-R464 PolarHBondContact OD1-N 3.12Å; N461-Y465 PolarHBondContact O-N 3.22Å; N461-Y465 VanDerWaalsContact O-N 3.13Å; N461-G692 PolarHBondContact ND2-O 2.86Å; N461-T695 VanDerWaalsContact ND2-CG2 3.26Å; N461-T695 WeakPolarHBondContact ND2-CG2 3.4Å; N461-T695 PolarHBondContact ND2-O 3.4Å
462F94.4Very high93.9Very high11 Ų1117.8 Ų17.85%0.04810%0.099CC..Hα-helixtrans-67.2-34.4-177.5-169.9-109.9000113.4V35 M166 R464 Y465 L466 L732 Y735V35-F462 HydrophobicContact CG1-CZ 4.23Å; M166-F462 HydrophobicContact SD-CE2 3.79Å; M166-F462 HydrophobicContact SD-CZ 3.73Å; F462-R464 PolarHBondContact O-N 2.84Å; F462-Y465 HydrophobicContact CD2-CD1 4.48Å; F462-Y465 HydrophobicContact CE2-CD1 4.44Å; F462-Y465 WeakPolarHBondContact O-CB 2.93Å; F462-Y465 PolarHBondContact O-N 3.15Å; F462-L466 HydrophobicContact CD1-CD2 4Å; F462-L466 HydrophobicContact CE1-CD2 4.02Å; F462-L466 WeakPolarHBondContact O-CG 3.41Å; F462-L466 PolarHBondContact O-N 3.28Å; F462-L732 HydrophobicContact CD1-CD1 3.87Å; F462-L732 HydrophobicContact CD1-CD2 4.38Å; F462-L732 HydrophobicContact CE1-CD2 4.25Å; F462-Y735 VanDerWaalsContact CB-CB 3.45Å; F462-Y735 HydrophobicContact CB-CD1 4.41Å; F462-Y735 HydrophobicContact CB-CD2 4.13Å; F462-Y735 HydrophobicContact CB-CG 3.75Å; F462-Y735 AromaticContact CD1-CD2 3.6Å; F462-Y735 HydrophobicContact CD1-CD2 3.6Å; F462-Y735 HydrophobicContact CD1-CE2 4.35Å; F462-Y735 HydrophobicContact CD1-CG 4.11Å; F462-Y735 HydrophobicContact CD2-CD1 4.4Å; F462-Y735 AromaticContact CD2-CD2 3.67Å; F462-Y735 HydrophobicContact CD2-CD2 3.67Å; F462-Y735 AromaticContact CD2-CE2 3.86Å; F462-Y735 HydrophobicContact CD2-CE2 3.86Å; F462-Y735 AromaticContact CD2-CG 3.95Å; F462-Y735 HydrophobicContact CD2-CG 3.95Å; F462-Y735 AromaticContact CE1-CD2 3.83Å; F462-Y735 HydrophobicContact CE1-CD2 3.83Å; F462-Y735 HydrophobicContact CE1-CE2 4.21Å; F462-Y735 AromaticContact CE2-CD2 3.9Å; F462-Y735 HydrophobicContact CE2-CD2 3.9Å; F462-Y735 AromaticContact CE2-CE2 3.71Å; F462-Y735 HydrophobicContact CE2-CE2 3.71Å; F462-Y735 HydrophobicContact CG-CD1 4.46Å; F462-Y735 AromaticContact CG-CD2 3.52Å; F462-Y735 HydrophobicContact CG-CD2 3.52Å; F462-Y735 HydrophobicContact CG-CE2 4.18Å; F462-Y735 AromaticContact CG-CG 3.68Å; F462-Y735 HydrophobicContact CG-CG 3.68Å; F462-Y735 AromaticContact CZ-CD2 3.97Å; F462-Y735 HydrophobicContact CZ-CD2 3.97Å; F462-Y735 AromaticContact CZ-CE2 3.89Å; F462-Y735 HydrophobicContact CZ-CE2 3.89Å
463I95.1Very high94.2Very high10 Ų1017 Ų175%0.0519%0.086CC..Hα-helixtrans-62.6-40.7177.4-59.7176.3000111.6N461 L466 S467 V670 K693 L732N461-I463 PolarHBondContact O-N 3.01Å; N461-I463 WeakPolarHBondContact OD1-CA 3.29Å; N461-I463 WeakPolarHBondContact OD1-CB 3.31Å; N461-I463 PolarHBondContact OD1-N 3.12Å; I463-L466 WeakPolarHBondContact O-CG 3.42Å; I463-S467 WeakPolarHBondContact O-CB 3.41Å; I463-S467 PolarHBondContact O-N 3.18Å; I463-V670 HydrophobicContact CG2-CB 4.35Å; I463-V670 HydrophobicContact CG2-CG1 3.67Å; I463-V670 HydrophobicContact CG2-CG2 3.79Å; I463-K693 HydrophobicContact CG2-CG 4.2Å; I463-L732 HydrophobicContact CG1-CD1 4.13Å
464R95.6Very high94.1Very high69 Ų6918.3 Ų18.326%0.269%0.091SC..Hα-helixtrans-64.4-46.8173.4175.559.8179-171.5-7.1110.3D458 L460 N461 F462 S467 H468 K693D458-R464 HydrophobicContact CB-CG 4.01Å; D458-R464 VanDerWaalsContact O-CG 3.3Å; D458-R464 WeakPolarHBondContact O-CG 3.32Å; D458-R464 IonicContact OD2-CZ 3.03Å; D458-R464 IonicContact OD2-NE 3.95Å; D458-R464 IonicContact OD2-NH2 3.09Å; D458-R464 PolarHBondContact OD2-NH2 3.48Å; L460-R464 HydrophobicContact CB-CG 4.37Å; N461-R464 PolarHBondContact O-N 2.93Å; N461-R464 WeakPolarHBondContact OD1-CB 3.33Å; N461-R464 PolarHBondContact OD1-N 3.12Å; F462-R464 PolarHBondContact O-N 2.84Å; R464-S467 PolarHBondContact O-N 3.4Å; R464-S467 PolarHBondContact O-OG 3.48Å; R464-H468 PolarHBondContact NE-NE2 3.08Å; R464-H468 VanDerWaalsContact NE-NE2 3.17Å; R464-H468 PolarHBondContact O-CD2 2.92Å; R464-K693 HydrophobicContact CB-CB 4.3Å; R464-K693 WeakPolarHBondContact CB-O 3.32Å
465Y94.9Very high93.7Very high5 Ų518.1 Ų18.12%0.029%0.09CC..Hα-helixtrans-59.1-52.1-178.7-174.1-110.6000111.9M166 Y169 A457 K459 N461 F462 S467 H468 F469M166-Y465 HydrophobicContact SD-CD1 4.3Å; M166-Y465 HydrophobicContact SD-CE1 4.14Å; Y169-Y465 WeakPolarHBondContact CD1-OH 3.42Å; Y169-Y465 WeakPolarHBondContact CE1-OH 3.26Å; A457-Y465 HydrophobicContact CB-CD2 4.27Å; A457-Y465 HydrophobicContact CB-CE2 3.93Å; K459-Y465 HydrophobicContact CD-CD2 4.32Å; K459-Y465 HydrophobicContact CD-CE2 4.27Å; K459-Y465 HydrophobicContact CG-CD2 3.57Å; K459-Y465 HydrophobicContact CG-CE2 3.86Å; K459-Y465 HydrophobicContact CG-CG 4.23Å; N461-Y465 PolarHBondContact O-N 3.22Å; N461-Y465 VanDerWaalsContact O-N 3.13Å; F462-Y465 HydrophobicContact CD2-CD1 4.48Å; F462-Y465 HydrophobicContact CE2-CD1 4.44Å; F462-Y465 WeakPolarHBondContact O-CB 2.93Å; F462-Y465 PolarHBondContact O-N 3.15Å; Y465-S467 VanDerWaalsContact C-N 3.25Å; Y465-S467 PolarHBondContact O-N 3.27Å; Y465-H468 WeakPolarHBondContact O-CB 3.31Å; Y465-H468 PolarHBondContact O-N 2.86Å; Y465-F469 HydrophobicContact CD1-CE2 4.03Å; Y465-F469 HydrophobicContact CD2-CE2 4.34Å; Y465-F469 AromaticContact CE1-CE2 3.7Å; Y465-F469 HydrophobicContact CE1-CE2 3.7Å; Y465-F469 HydrophobicContact CE1-CZ 4.23Å; Y465-F469 HydrophobicContact CE2-CE2 4.05Å; Y465-F469 HydrophobicContact CE2-CZ 4.16Å; Y465-F469 HydrophobicContact CG-CE2 4.35Å; Y465-F469 AromaticContact CZ-CE2 3.72Å; Y465-F469 AromaticContact CZ-CZ 3.84Å; Y465-F469 WeakPolarHBondContact O-CD2 3.23Å; Y465-F469 WeakPolarHBondContact O-CE2 3.4Å
466L93.8Very high93.2Very high2 Ų218.6 Ų18.61%0.0110%0.097CC..Hα-helixtrans-62.8-31.2178.769.681.3000113.1L38 F462 I463 H468 F469 V669 V670 F673L38-L466 HydrophobicContact CD1-CB 4.25Å; F462-L466 HydrophobicContact CD1-CD2 4Å; F462-L466 HydrophobicContact CE1-CD2 4.02Å; F462-L466 WeakPolarHBondContact O-CG 3.41Å; F462-L466 PolarHBondContact O-N 3.28Å; I463-L466 WeakPolarHBondContact O-CG 3.42Å; L466-H468 PolarHBondContact O-N 3.24Å; L466-F469 PolarHBondContact O-N 2.97Å; L466-V669 HydrophobicContact CD1-CB 4.37Å; L466-V669 HydrophobicContact CD1-CG1 4.01Å; L466-V670 HydrophobicContact CD1-CG2 3.57Å; L466-F673 HydrophobicContact CD2-CE2 4.33Å
467S95.4Very high92.6Very high3 Ų317.8 Ų17.82%0.02110%0.096CC..Hα-helixtrans-64.5-29.3-178.475.20000112.7I463 R464 Y465 F469 R470 C471 H513 K693I463-S467 WeakPolarHBondContact O-CB 3.41Å; I463-S467 PolarHBondContact O-N 3.18Å; R464-S467 PolarHBondContact O-N 3.4Å; R464-S467 PolarHBondContact O-OG 3.48Å; Y465-S467 VanDerWaalsContact C-N 3.25Å; Y465-S467 PolarHBondContact O-N 3.27Å; S467-F469 VanDerWaalsContact C-N 3.31Å; S467-F469 PolarHBondContact O-N 2.71Å; S467-R470 PolarHBondContact O-N 3.46Å; S467-C471 WeakPolarHBondContact O-CB 3.35Å; S467-C471 PolarHBondContact O-N 2.89Å; S467-C471 VanDerWaalsContact O-N 3.09Å; S467-H513 PolarHBondContact O-CD2 3.29Å; S467-K693 VanDerWaalsContact OG-CD 3.27Å; S467-K693 WeakPolarHBondContact OG-CD 3.36Å
468H96.1Very high92.1Very high15 Ų1518.5 Ų18.57%0.06910%0.098CC..Hα-helixtrans-62.7-37.8178.8-75.2-69.7000112.6V178 V456 D458 R464 Y465 L466V178-H468 HydrophobicContact CG1-CB 4.14Å; V456-H468 PolarHBondContact O-CE1 2.69Å; D458-H468 PolarHBondContact N-NE2 2.92Å; R464-H468 PolarHBondContact NE-NE2 3.08Å; R464-H468 VanDerWaalsContact NE-NE2 3.17Å; R464-H468 PolarHBondContact O-CD2 2.92Å; Y465-H468 WeakPolarHBondContact O-CB 3.31Å; Y465-H468 PolarHBondContact O-N 2.86Å; L466-H468 PolarHBondContact O-N 3.24Å
469F96.1Very high91.8Very high1 Ų116.5 Ų16.50%0.0049%0.091CC..Hα-helixtrans-79.2-21.2-176.5-57.4-76000113.2T39 H42 Y169 V178 M181 Y465 L466 S467T39-F469 HydrophobicContact CG2-CB 4.06Å; T39-F469 HydrophobicContact CG2-CD1 3.73Å; T39-F469 HydrophobicContact CG2-CD2 3.81Å; T39-F469 HydrophobicContact CG2-CE1 4.06Å; T39-F469 HydrophobicContact CG2-CE2 4.15Å; T39-F469 HydrophobicContact CG2-CG 3.58Å; T39-F469 HydrophobicContact CG2-CZ 4.26Å; H42-F469 PolarHBondContact NE2-O 3.36Å; Y169-F469 HydrophobicContact CD1-CE1 4.28Å; Y169-F469 AromaticContact CD1-CZ 3.89Å; Y169-F469 HydrophobicContact CD1-CZ 3.89Å; V178-F469 HydrophobicContact CG2-CD1 3.99Å; V178-F469 HydrophobicContact CG2-CE1 3.89Å; M181-F469 WeakPolarHBondContact CE-O 3.5Å; Y465-F469 HydrophobicContact CD1-CE2 4.03Å; Y465-F469 HydrophobicContact CD2-CE2 4.34Å; Y465-F469 AromaticContact CE1-CE2 3.7Å; Y465-F469 HydrophobicContact CE1-CE2 3.7Å; Y465-F469 HydrophobicContact CE1-CZ 4.23Å; Y465-F469 HydrophobicContact CE2-CE2 4.05Å; Y465-F469 HydrophobicContact CE2-CZ 4.16Å; Y465-F469 HydrophobicContact CG-CE2 4.35Å; Y465-F469 AromaticContact CZ-CE2 3.72Å; Y465-F469 AromaticContact CZ-CZ 3.84Å; Y465-F469 WeakPolarHBondContact O-CD2 3.23Å; Y465-F469 WeakPolarHBondContact O-CE2 3.4Å; L466-F469 PolarHBondContact O-N 2.97Å; S467-F469 VanDerWaalsContact C-N 3.31Å; S467-F469 PolarHBondContact O-N 2.71Å
470R95.9Very high91.5Very high15 Ų1524.2 Ų24.26%0.05713%0.125CC..Hα-helixtrans-99.3-2.6176.4-56.9-59.8-64.2179.4-0.9113.4L38 S467 H513 M514 T515 C518L38-R470 HydrophobicContact CD2-CG 4.41Å; L38-R470 WeakPolarHBondContact O-CD 3.29Å; S467-R470 PolarHBondContact O-N 3.46Å; R470-H513 WeakPolarHBondContact O-CA 3.25Å; R470-M514 PolarHBondContact O-N 3.47Å; R470-T515 PolarHBondContact NH2-O 2.95Å; R470-C518 PolarHBondContact NH1-O 3.23Å; R470-C518 PolarHBondContact NH2-O 2.89Å
471C96Very high91.1Very high9 Ų927.5 Ų27.56%0.06114%0.141CC..EExtended strand (participates in β ladder)trans-75.8132.1179.8-179.30000111.2M181 S467 M511M181-C471 WeakPolarHBondContact CE-O 3.37Å; S467-C471 WeakPolarHBondContact O-CB 3.35Å; S467-C471 PolarHBondContact O-N 2.89Å; S467-C471 VanDerWaalsContact O-N 3.09Å; C471-M511 VanDerWaalsContact SG-CG 3.55Å
472V95Very high90.6Very high0 Ų039.4 Ų39.40%019%0.185CC..EExtended strand (participates in β ladder)trans-124.9130.6175.2177.40000108.4M181 I183 V374 N512 M514M181-V472 HydrophobicContact CB-CG2 4.13Å; M181-V472 HydrophobicContact CE-CG2 3.95Å; I183-V472 HydrophobicContact CD1-CG1 3.77Å; I183-V472 HydrophobicContact CG1-CG1 3.28Å; V374-V472 HydrophobicContact CG1-CG2 4.41Å; V374-V472 HydrophobicContact CG2-CG1 4.29Å; V472-N512 PolarHBondContact N-O 2.81Å; V472-N512 PolarHBondContact O-N 2.68Å; V472-M514 HydrophobicContact CG2-CE 4.28Å; V472-M514 HydrophobicContact CG2-CG 3.65Å; V472-M514 HydrophobicContact CG2-SD 3.93Å
473H93.3Very high90.2Very high18 Ų1842.5 Ų42.58%0.08321%0.205CC..EExtended strand (participates in β ladder)trans-118.9132.7-172.8-170.8-88.5000111.6M181 L182 I183 G475 L510M181-H473 PolarHBondContact O-N 3.2Å; L182-H473 WeakPolarHBondContact CA-O 3.41Å; L182-H473 HydrophobicContact CD2-CB 4.07Å; I183-H473 PolarHBondContact N-O 3.1Å; H473-G475 VanDerWaalsContact C-N 3.33Å; H473-G475 PolarHBondContact CE1-N 2.8Å; H473-G475 VanDerWaalsContact ND1-CA 3.31Å; H473-G475 WeakPolarHBondContact ND1-CA 3.19Å; H473-G475 PolarHBondContact ND1-N 2.79Å; H473-G475 PolarHBondContact O-N 2.74Å; H473-L510 WeakPolarHBondContact CA-O 3.44Å
474R90Very high90Very high29 Ų2946.2 Ų46.211%0.10923%0.229CC..  trans-67.1-32.4-179.3-174.959.9179129.5-8.7113.6P366 D367 F478 L510P366-R474 PolarHBondContact O-NH2 3.24Å; D367-R474 IonicContact OD1-CZ 2.95Å; D367-R474 IonicContact OD1-NE 3.28Å; D367-R474 IonicContact OD1-NH2 3.95Å; D367-R474 PolarHBondContact OD1-NH2 2.77Å; R474-F478 HydrophobicContact CG-CB 4.37Å; R474-F478 HydrophobicContact CG-CD2 3.82Å; R474-F478 HydrophobicContact CG-CE2 4.26Å; R474-F478 HydrophobicContact CG-CG 4.07Å; R474-F478 WeakPolarHBondContact O-CD2 3.46Å; R474-F478 WeakPolarHBondContact O-CE2 3.22Å; R474-L510 HydrophobicContact CB-CD2 4.12Å; R474-L510 HydrophobicContact CG-CD2 4.31Å; R474-L510 PolarHBondContact N-O 3.5Å
475G85.2Confident89.6Confident5 Ų545.7 Ų45.75%0.05224%0.236CC..  trans129.2142177.600000112.5H473 A477 F478H473-G475 VanDerWaalsContact C-N 3.33Å; H473-G475 PolarHBondContact CE1-N 2.8Å; H473-G475 VanDerWaalsContact ND1-CA 3.31Å; H473-G475 WeakPolarHBondContact ND1-CA 3.19Å; H473-G475 PolarHBondContact ND1-N 2.79Å; H473-G475 PolarHBondContact O-N 2.74Å; G475-A477 PolarHBondContact O-N 3.43Å; G475-F478 PolarHBondContact O-N 3.49Å; G475-F478 VanDerWaalsContact O-N 3.1Å
476A83.5Confident89.4Confident36 Ų3646.1 Ų46.130%0.29824%0.239SC..Hα-helixtrans-65.8-23.3-177.700000112.9Q449 F478 A479Q449-A476 VanDerWaalsContact OE1-CB 3.26Å; A476-F478 PolarHBondContact O-N 2.89Å; A476-A479 WeakPolarHBondContact O-CB 3.49Å; A476-A479 PolarHBondContact O-N 3.26Å
477A83.3Confident89.3Confident36 Ų3648.9 Ų48.930%0.29825%0.249SC..Hα-helixtrans-59.8-34.2172.500000112.1G475G475-A477 PolarHBondContact O-N 3.43Å
478F84.3Confident89.2Confident20 Ų2055.4 Ų55.49%0.08828%0.277CS..Hα-helixtrans-79.9-21.6-179.9-61.2-82.1000113L448 R474 G475 A476 K480 M481 V486 L510L448-F478 HydrophobicContact CD1-CE2 4.03Å; L448-F478 HydrophobicContact CD1-CZ 3.85Å; R474-F478 HydrophobicContact CG-CB 4.37Å; R474-F478 HydrophobicContact CG-CD2 3.82Å; R474-F478 HydrophobicContact CG-CE2 4.26Å; R474-F478 HydrophobicContact CG-CG 4.07Å; R474-F478 WeakPolarHBondContact O-CD2 3.46Å; R474-F478 WeakPolarHBondContact O-CE2 3.22Å; G475-F478 PolarHBondContact O-N 3.49Å; G475-F478 VanDerWaalsContact O-N 3.1Å; A476-F478 PolarHBondContact O-N 2.89Å; F478-K480 PolarHBondContact O-N 3.26Å; F478-M481 HydrophobicContact CD1-CE 3.77Å; F478-M481 HydrophobicContact CD1-SD 3.73Å; F478-M481 HydrophobicContact CE1-CE 3.99Å; F478-M481 HydrophobicContact CE1-SD 4.34Å; F478-M481 WeakPolarHBondContact O-CB 3.31Å; F478-M481 PolarHBondContact O-N 3.16Å; F478-M481 VanDerWaalsContact O-N 3.12Å; F478-V486 HydrophobicContact CD1-CG1 4.1Å; F478-L510 HydrophobicContact CB-CD2 4.1Å
479A83.7Confident89.1Confident24 Ų2460 Ų6020%0.19830%0.301CS..Hα-helixtrans-62.7-33.4175.600000112.5A476 M481 L510A476-A479 WeakPolarHBondContact O-CB 3.49Å; A476-A479 PolarHBondContact O-N 3.26Å; A479-M481 VanDerWaalsContact C-N 3.29Å; A479-M481 PolarHBondContact O-N 3.15Å; A479-L510 VanDerWaalsContact CA-CD1 3.47Å; A479-L510 HydrophobicContact CB-CD1 3.86Å
480K84.4Confident89.1Confident183 Ų18361.8 Ų61.880%0.79631%0.311SS*.THydrogen-bonded Turntrans-76.7-13.8177.4-61.4-176.7-179.7-177.60113.6F478F478-K480 PolarHBondContact O-N 3.26Å
481M83.1Confident89Confident85 Ų8566.3 Ų66.342%0.41934%0.342SS..  trans-74.9137179-63.9-170.9-17600110F478 A479 T483F478-M481 HydrophobicContact CD1-CE 3.77Å; F478-M481 HydrophobicContact CD1-SD 3.73Å; F478-M481 HydrophobicContact CE1-CE 3.99Å; F478-M481 HydrophobicContact CE1-SD 4.34Å; F478-M481 WeakPolarHBondContact O-CB 3.31Å; F478-M481 PolarHBondContact O-N 3.16Å; F478-M481 VanDerWaalsContact O-N 3.12Å; A479-M481 VanDerWaalsContact C-N 3.29Å; A479-M481 PolarHBondContact O-N 3.15Å; M481-T483 VanDerWaalsContact C-N 3.32Å
482R82.9Confident88.9Confident251 Ų25168 Ų6895%0.94735%0.349SS*.  trans-81-13.3176.9-65.4-175.4178.8-178.2-1.1113
483T87.2Confident88.9Confident77 Ų7768.6 Ų68.647%0.47235%0.353SS..  trans-73.7137.9179.948.80000110.8M481M481-T483 VanDerWaalsContact C-N 3.32Å
484T89.5Confident89Confident88 Ų8871.7 Ų71.754%0.5436%0.364SS..SBendtrans-92-9.5-179.354.40000113.4V486 R487 K488T484-V486 VanDerWaalsContact C-N 3.29Å; T484-V486 PolarHBondContact O-N 2.76Å; T484-R487 WeakPolarHBondContact O-CA 2.84Å; T484-R487 WeakPolarHBondContact O-CB 3.2Å; T484-R487 PolarHBondContact O-N 3.4Å; T484-K488 PolarHBondContact O-N 2.9Å
485S88.3Confident89.2Confident58 Ų5870.3 Ų70.341%0.40636%0.359SS..G310 helixtrans-52.5-46.1-178.958.40000112.4R487 K488S485-R487 PolarHBondContact O-N 2.72Å; S485-R487 VanDerWaalsContact O-N 3.12Å; S485-K488 PolarHBondContact O-N 3.27Å
486V89.7Confident89.8Confident14 Ų1470.1 Ų70.19%0.08536%0.356CS..G310 helixtrans-65.2-13.4179.3-58.40000113.9D367 F478 T484 L510D367-V486 WeakPolarHBondContact OD2-CG1 3.47Å; F478-V486 HydrophobicContact CD1-CG1 4.1Å; T484-V486 VanDerWaalsContact C-N 3.29Å; T484-V486 PolarHBondContact O-N 2.76Å; V486-L510 HydrophobicContact CB-CD2 4.39Å; V486-L510 HydrophobicContact CG2-CD2 3.91Å
487R92.6Very high90.4Very high60 Ų6068.8 Ų68.823%0.22635%0.345CS..G310 helixtrans-105.4-11.5-176.5-55.7178.1172.7-92.66.8112.5T484 S485 E506 C508 L510T484-R487 WeakPolarHBondContact O-CA 2.84Å; T484-R487 WeakPolarHBondContact O-CB 3.2Å; T484-R487 PolarHBondContact O-N 3.4Å; S485-R487 PolarHBondContact O-N 2.72Å; S485-R487 VanDerWaalsContact O-N 3.12Å; R487-E506 PolarHBondContact NH1-O 3.2Å; R487-E506 PolarHBondContact NH2-O 2.89Å; R487-E506 VanDerWaalsContact NH2-O 3.08Å; R487-C508 PolarHBondContact NH1-O 2.78Å; R487-L510 HydrophobicContact CG-CD2 4.2Å; R487-L510 HydrophobicContact CG-CG 4.26Å
488K93.7Very high91.1Very high140 Ų14067.3 Ų67.361%0.60933%0.332SS*.SBendtrans-73.5137.9-178.6-72.1-177177.3-173.40109.5T484 S485T484-K488 PolarHBondContact O-N 2.9Å; S485-K488 PolarHBondContact O-N 3.27Å
489L94.3Very high91.7Very high110 Ų11068.4 Ų68.458%0.57634%0.341SS*.  trans-69.1132.3163.9178.866.7000108.4P499L489-P499 HydrophobicContact CD1-CB 4.26Å; L489-P499 HydrophobicContact CD2-CB 3.47Å; L489-P499 VanDerWaalsContact CD2-CB 3.47Å
490L95Very high92.2Very high39 Ų3968 Ų6820%0.20434%0.336CS..  trans-116.3145.8179.3-59.5176.2000109.9E492 S493L490-E492 VanDerWaalsContact CB-OE2 3.24Å; L490-E492 WeakPolarHBondContact CB-OE2 3.46Å; L490-E492 PolarHBondContact O-N 3.11Å; L490-S493 WeakPolarHBondContact O-CB 3.27Å; L490-S493 PolarHBondContact O-N 2.94Å; L490-S493 PolarHBondContact O-OG 2.96Å; L490-S493 VanDerWaalsContact O-OG 3.11Å
491P95.1Very high92.9Very high110 Ų11059.4 Ų59.471%0.71430%0.299SS*.G310 helixtrans-54.8-33.5-179-27.435.6000114.5S493 W494P491-S493 PolarHBondContact O-N 3.24Å; P491-W494 VanDerWaalsContact O-CB 3.29Å; P491-W494 WeakPolarHBondContact O-CB 3.48Å; P491-W494 PolarHBondContact O-N 3.39Å
492E93Very high93.5Very high46 Ų4656.1 Ų56.122%0.21528%0.283CS..G310 helixtrans-63.4-11.4177.3-48.696.411700112.7S368 L490 W494 L640S368-E492 PolarHBondContact OG-OE1 3.23Å; L490-E492 VanDerWaalsContact CB-OE2 3.24Å; L490-E492 WeakPolarHBondContact CB-OE2 3.46Å; L490-E492 PolarHBondContact O-N 3.11Å; E492-W494 VanDerWaalsContact C-N 3.3Å; E492-L640 HydrophobicContact CB-CD1 4.44Å; E492-L640 HydrophobicContact CG-CD1 4.08Å; E492-L640 HydrophobicContact CG-CD2 4.34Å; E492-L640 HydrophobicContact CG-CG 4.11Å
493S94.9Very high94Very high11 Ų1144.9 Ų44.98%0.07724%0.243CC..G310 helixtrans-77.2-13.4173.9-54.40000114.3L490 P491 G495 F496 L497L490-S493 WeakPolarHBondContact O-CB 3.27Å; L490-S493 PolarHBondContact O-N 2.94Å; L490-S493 PolarHBondContact O-OG 2.96Å; L490-S493 VanDerWaalsContact O-OG 3.11Å; P491-S493 PolarHBondContact O-N 3.24Å; S493-G495 PolarHBondContact O-N 2.72Å; S493-F496 PolarHBondContact O-N 2.8Å; S493-L497 PolarHBondContact O-N 2.91Å
494W95.8Very high94.2Very high84 Ų8444.3 Ų44.332%0.31824%0.237SC..THydrogen-bonded Turntrans-52.7126.8-178.9-179.9-86.3000111.8P491 E492 F496 Q639 I646 E660 M666P491-W494 VanDerWaalsContact O-CB 3.29Å; P491-W494 WeakPolarHBondContact O-CB 3.48Å; P491-W494 PolarHBondContact O-N 3.39Å; E492-W494 VanDerWaalsContact C-N 3.3Å; W494-F496 WeakPolarHBondContact O-CD2 3.16Å; W494-F496 PolarHBondContact O-N 3.33Å; W494-Q639 PolarHBondContact O-NE2 2.79Å; W494-Q639 PolarHBondContact O-OE1 2.93Å; W494-I646 HydrophobicContact CH2-CD1 3.96Å; W494-I646 HydrophobicContact CZ2-CD1 3.88Å; W494-I646 HydrophobicContact CZ2-CG1 4.17Å; W494-E660 PolarHBondContact NE1-OE1 3.33Å; W494-M666 HydrophobicContact CD2-CB 4.21Å; W494-M666 HydrophobicContact CE3-CB 4.16Å; W494-M666 HydrophobicContact CE3-SD 4.13Å; W494-M666 HydrophobicContact CH2-CB 4.17Å; W494-M666 HydrophobicContact CH2-CE 4.42Å; W494-M666 HydrophobicContact CH2-CG 4.09Å; W494-M666 HydrophobicContact CH2-SD 3.63Å; W494-M666 HydrophobicContact CZ2-CB 4.22Å; W494-M666 HydrophobicContact CZ2-CG 4.47Å; W494-M666 HydrophobicContact CZ3-CB 4.14Å; W494-M666 HydrophobicContact CZ3-CG 4.21Å; W494-M666 HydrophobicContact CZ3-SD 3.38Å; W494-M666 WeakPolarHBondContact CZ3-SD 3.43Å
495G94.6Very high94.2Very high0 Ų042.8 Ų42.80%024%0.239CC..THydrogen-bonded Turntrans75.3-7.9179.500000115.5S493 T515 R621S493-G495 PolarHBondContact O-N 2.72Å; G495-T515 VanDerWaalsContact C-CG2 3.44Å; G495-T515 WeakPolarHBondContact O-CG2 3.42Å; G495-T515 PolarHBondContact O-OG1 2.79Å; G495-R621 WeakPolarHBondContact O-CD 3.49Å
496F96.7Very high94.2Very high0 Ų046.6 Ų46.60%025%0.25CS..THydrogen-bonded Turntrans-108.2-52.1177.7-61.5-71.9000113.1L369 S493 W494 M514 T515 M619 R621 G635 T636 Q639L369-F496 HydrophobicContact CD1-CB 4.15Å; S493-F496 PolarHBondContact O-N 2.8Å; W494-F496 WeakPolarHBondContact O-CD2 3.16Å; W494-F496 PolarHBondContact O-N 3.33Å; F496-M514 VanDerWaalsContact O-CA 3.28Å; F496-M514 WeakPolarHBondContact O-CA 3.44Å; F496-T515 PolarHBondContact O-N 2.94Å; F496-M619 HydrophobicContact CD1-CB 3.87Å; F496-M619 HydrophobicContact CE1-CB 4.38Å; F496-R621 HydrophobicContact CD1-CB 4.35Å; F496-R621 HydrophobicContact CD1-CG 4.42Å; F496-R621 HydrophobicContact CE1-CB 4.01Å; F496-R621 HydrophobicContact CE1-CG 3.78Å; F496-R621 HydrophobicContact CZ-CG 3.93Å; F496-G635 VanDerWaalsContact CZ-C 3.46Å; F496-G635 WeakPolarHBondContact CZ-O 3.22Å; F496-T636 HydrophobicContact CD1-CG2 3.98Å; F496-T636 HydrophobicContact CD2-CG2 3.91Å; F496-T636 HydrophobicContact CE1-CG2 3.97Å; F496-T636 HydrophobicContact CE2-CG2 3.89Å; F496-T636 HydrophobicContact CG-CG2 3.95Å; F496-T636 HydrophobicContact CZ-CG2 3.94Å; F496-Q639 HydrophobicContact CE2-CB 4.37Å
497L97Very high94.3Very high9 Ų948 Ų485%0.04726%0.26CS..BIsolated β-bridgetrans-114.5136.5175.8-61.8-178.1000109.9L369 S493 N512 M514L369-L497 HydrophobicContact CD1-CD1 3.85Å; L369-L497 HydrophobicContact CD1-CG 3.89Å; L369-L497 HydrophobicContact CD2-CD1 3.71Å; L369-L497 HydrophobicContact CD2-CG 4.38Å; L369-L497 HydrophobicContact CG-CD1 4.29Å; S493-L497 PolarHBondContact O-N 2.91Å; L497-N512 HydrophobicContact CD1-CB 4.25Å; L497-N512 HydrophobicContact CD2-CB 4.45Å; L497-M514 HydrophobicContact CD2-CG 4.32Å
498C97.2Very high94.4Very high4 Ų447.4 Ų47.43%0.02726%0.264CS..  trans-70.5129.8-179.9177.70000111.2V500 H501 H513 S668C498-V500 VanDerWaalsContact C-N 3.25Å; C498-V500 PolarHBondContact O-N 3.26Å; C498-V500 PolarHBondContact SG-N 2.54Å; C498-H501 HydrophobicContact CB-CB 3.96Å; C498-H501 VanDerWaalsContact SG-CB 3.54Å; C498-H501 PolarHBondContact SG-N 3.19Å; C498-H513 WeakPolarHBondContact CB-O 3.29Å; C498-H513 PolarHBondContact N-O 2.88Å; C498-S668 PolarHBondContact SG-N 3.01Å
499P96.1Very high94.3Very high44 Ų4441.1 Ų41.129%0.28624%0.239SC..SBendtrans-72.5-20.2-179.929.6-34.7000113.1L489 M666L489-P499 HydrophobicContact CD1-CB 4.26Å; L489-P499 HydrophobicContact CD2-CB 3.47Å; L489-P499 VanDerWaalsContact CD2-CB 3.47Å; P499-M666 WeakPolarHBondContact CD-O 3.22Å; P499-M666 HydrophobicContact CG-SD 4.18Å
500V96.2Very high94.3Very high15 Ų1536 Ų369%0.09121%0.212CC..SBendtrans-97.3-37.4-175.6176.70000112.1C498 T502 L667 A671 N685 M686C498-V500 VanDerWaalsContact C-N 3.25Å; C498-V500 PolarHBondContact O-N 3.26Å; C498-V500 PolarHBondContact SG-N 2.54Å; V500-T502 VanDerWaalsContact C-N 3.34Å; V500-T502 PolarHBondContact O-N 3.42Å; V500-L667 HydrophobicContact CG2-CD2 4.02Å; V500-A671 HydrophobicContact CB-CB 4.39Å; V500-A671 HydrophobicContact CG1-CB 4.47Å; V500-N685 HydrophobicContact CG1-CB 3.45Å; V500-N685 VanDerWaalsContact CG1-CB 3.45Å; V500-N685 WeakPolarHBondContact CG1-O 3.5Å; V500-N685 HydrophobicContact CG2-CB 4.38Å; V500-M686 WeakPolarHBondContact O-CA 3.04Å; V500-M686 WeakPolarHBondContact O-CB 3.32Å; V500-M686 WeakPolarHBondContact O-CG 3.36Å
501H97.4Very high94.2Very high3 Ų335.5 Ų35.51%0.01421%0.209CC..  trans-89.169.4-165.7-167.8-177.4000112.4C498 H513 S668 C689 K693C498-H501 HydrophobicContact CB-CB 3.96Å; C498-H501 VanDerWaalsContact SG-CB 3.54Å; C498-H501 PolarHBondContact SG-N 3.19Å; H501-H513 HydrophobicContact CB-CB 4.25Å; H501-H513 AromaticContact CD2-CE1 3.62Å; H501-H513 AromaticContact CD2-CG 3.87Å; H501-H513 AromaticContact CD2-ND1 3.4Å; H501-H513 PolarHBondContact CD2-ND1 3.17Å; H501-H513 AromaticContact CE1-CD2 3.4Å; H501-H513 PolarHBondContact CE1-CD2 3.28Å; H501-H513 VanDerWaalsContact CE1-CD2 3.4Å; H501-H513 AromaticContact CE1-CE1 3.92Å; H501-H513 AromaticContact CE1-CG 3.47Å; H501-H513 VanDerWaalsContact CE1-CG 3.47Å; H501-H513 AromaticContact CE1-ND1 3.77Å; H501-H513 AromaticContact CE1-NE2 3.69Å; H501-H513 AromaticContact CG-CG 3.66Å; H501-H513 AromaticContact CG-ND1 3.53Å; H501-H513 AromaticContact ND1-CD2 3.82Å; H501-H513 AromaticContact ND1-CG 3.42Å; H501-H513 AromaticContact ND1-ND1 3.77Å; H501-H513 AromaticContact NE2-CD2 3.71Å; H501-H513 AromaticContact NE2-CE1 3.45Å; H501-H513 PolarHBondContact NE2-CE1 2.95Å; H501-H513 AromaticContact NE2-CG 3.77Å; H501-H513 AromaticContact NE2-ND1 3.58Å; H501-H513 AromaticContact NE2-NE2 3.5Å; H501-H513 PolarHBondContact NE2-NE2 2.77Å; H501-H513 PolarHBondContact O-ND1 3.28Å; H501-S668 VanDerWaalsContact CB-OG 3.3Å; H501-S668 WeakPolarHBondContact CB-OG 3.16Å; H501-S668 PolarHBondContact ND1-OG 3.11Å; H501-C689 HydrophobicContact CB-CB 4.5Å; H501-K693 WeakPolarHBondContact NE2-CE 3.44Å; H501-K693 PolarHBondContact NE2-NZ 2.69Å
502T95.9Very high94.3Very high15 Ų1531.7 Ų31.79%0.09218%0.183CC..  trans-123.4144.5167.3171.70000108.9V500 G509 M686V500-T502 VanDerWaalsContact C-N 3.34Å; V500-T502 PolarHBondContact O-N 3.42Å; T502-G509 PolarHBondContact OG1-N 3.06Å; T502-M686 HydrophobicContact CG2-CG 4.16Å; T502-M686 HydrophobicContact CG2-SD 3.68Å; T502-M686 WeakPolarHBondContact O-CG 3.28Å
503P93.8Very high94.5Very high15 Ų1529.7 Ų29.710%0.09717%0.173CC..  trans-66.5158.4168.831-34.7000111P507 C508 M511P503-P507 HydrophobicContact CB-CG 4.1Å; P503-P507 HydrophobicContact CG-CB 3.88Å; P503-P507 HydrophobicContact CG-CG 3.66Å; P503-C508 VanDerWaalsContact O-CA 3.24Å; P503-C508 WeakPolarHBondContact O-CA 3.45Å; P503-C508 WeakPolarHBondContact O-CB 3.37Å; P503-M511 WeakPolarHBondContact CD-O 3.48Å; P503-M511 HydrophobicContact CG-CB 3.96Å; P503-M511 HydrophobicContact CG-CG 4.32Å; P503-M511 HydrophobicContact CG-SD 4.12Å
504D91.2Very high94.6Very high65 Ų6529.1 Ų29.135%0.34817%0.17SC..SBendtrans-80.7173.1167.770-30.6000111.7Y687 Q690D504-Y687 HydrophobicContact CB-CE1 4.23Å; D504-Q690 PolarHBondContact OD1-NE2 3Å; D504-Q690 PolarHBondContact OD1-OE1 3.01Å
505G90.6Very high94.6Very high56 Ų5625.1 Ų25.158%0.57715%0.154SC*.SBendtrans78.3-151.3178.400000114.3P507 C508G505-P507 VanDerWaalsContact C-CD 3.43Å; G505-C508 WeakPolarHBondContact O-CB 3.42Å; G505-C508 PolarHBondContact O-N 2.84Å; G505-C508 VanDerWaalsContact O-N 3.11Å
506E88.6Confident94.6Very high139 Ų13925.6 Ų25.665%0.6516%0.158SC*.THydrogen-bonded Turntrans-55.2-37.2-177.4-169.3-174.1171.600115.1R487 C508R487-E506 PolarHBondContact NH1-O 3.2Å; R487-E506 PolarHBondContact NH2-O 2.89Å; R487-E506 VanDerWaalsContact NH2-O 3.08Å; E506-C508 VanDerWaalsContact C-N 3.28Å; E506-C508 PolarHBondContact O-N 2.72Å
507P91.6Very high94.4Very high44 Ų4425.9 Ų25.929%0.28616%0.16SC..THydrogen-bonded Turntrans-81.31.1178.830.6-34.1000114.8P503 G505 G509 L510 M511P503-P507 HydrophobicContact CB-CG 4.1Å; P503-P507 HydrophobicContact CG-CB 3.88Å; P503-P507 HydrophobicContact CG-CG 3.66Å; G505-P507 VanDerWaalsContact C-CD 3.43Å; P507-G509 PolarHBondContact O-N 3.49Å; P507-L510 PolarHBondContact O-N 3.05Å; P507-M511 HydrophobicContact CB-CB 4.23Å; P507-M511 PolarHBondContact O-N 2.91Å; P507-M511 VanDerWaalsContact O-N 3.14Å
508C94.2Very high94.3Very high46 Ų4625.5 Ų25.531%0.31116%0.159SC..THydrogen-bonded Turntrans-57.6125.4-177.4-176.20000112.4R487 P503 G505 E506 L510R487-C508 PolarHBondContact NH1-O 2.78Å; P503-C508 VanDerWaalsContact O-CA 3.24Å; P503-C508 WeakPolarHBondContact O-CA 3.45Å; P503-C508 WeakPolarHBondContact O-CB 3.37Å; G505-C508 WeakPolarHBondContact O-CB 3.42Å; G505-C508 PolarHBondContact O-N 2.84Å; G505-C508 VanDerWaalsContact O-N 3.11Å; E506-C508 VanDerWaalsContact C-N 3.28Å; E506-C508 PolarHBondContact O-N 2.72Å; C508-L510 PolarHBondContact O-N 2.79Å
509G91.8Very high94.1Very high9 Ų927.7 Ų27.79%0.09317%0.168CC..THydrogen-bonded Turntrans78.6-11.6-177.400000115.1T502 P507 N512T502-G509 PolarHBondContact OG1-N 3.06Å; P507-G509 PolarHBondContact O-N 3.49Å; G509-N512 PolarHBondContact O-ND2 3.48Å
510L93.1Very high94.1Very high1 Ų126.1 Ų26.11%0.00516%0.158CC..THydrogen-bonded Turntrans-98-29177.6-62.4178.3000112.9H473 R474 F478 A479 V486 R487 P507 C508H473-L510 WeakPolarHBondContact CA-O 3.44Å; R474-L510 HydrophobicContact CB-CD2 4.12Å; R474-L510 HydrophobicContact CG-CD2 4.31Å; R474-L510 PolarHBondContact N-O 3.5Å; F478-L510 HydrophobicContact CB-CD2 4.1Å; A479-L510 VanDerWaalsContact CA-CD1 3.47Å; A479-L510 HydrophobicContact CB-CD1 3.86Å; V486-L510 HydrophobicContact CB-CD2 4.39Å; V486-L510 HydrophobicContact CG2-CD2 3.91Å; R487-L510 HydrophobicContact CG-CD2 4.2Å; R487-L510 HydrophobicContact CG-CG 4.26Å; P507-L510 PolarHBondContact O-N 3.05Å; C508-L510 PolarHBondContact O-N 2.79Å
511M94.6Very high94Very high30 Ų3026 Ų2615%0.14816%0.157CC..EExtended strand (participates in β ladder)trans-109.991.9177.1-176.2179.8-64.800109.2C471 P503 P507C471-M511 VanDerWaalsContact SG-CG 3.55Å; P503-M511 WeakPolarHBondContact CD-O 3.48Å; P503-M511 HydrophobicContact CG-CB 3.96Å; P503-M511 HydrophobicContact CG-CG 4.32Å; P503-M511 HydrophobicContact CG-SD 4.12Å; P507-M511 HydrophobicContact CB-CB 4.23Å; P507-M511 PolarHBondContact O-N 2.91Å; P507-M511 VanDerWaalsContact O-N 3.14Å
512N95.8Very high93.7Very high29 Ų2926.3 Ų26.316%0.15516%0.159CC..EExtended strand (participates in β ladder)trans-106.8167.7-177.5-59.2-35.6000110V472 L497 G509V472-N512 PolarHBondContact N-O 2.81Å; V472-N512 PolarHBondContact O-N 2.68Å; L497-N512 HydrophobicContact CD1-CB 4.25Å; L497-N512 HydrophobicContact CD2-CB 4.45Å; G509-N512 PolarHBondContact O-ND2 3.48Å
513H97.3Very high93.2Very high4 Ų427.6 Ų27.62%0.01917%0.171CC..EExtended strand (participates in β ladder)trans-123.6141.6176.4-58.969.8000109S467 R470 C498 H501S467-H513 PolarHBondContact O-CD2 3.29Å; R470-H513 WeakPolarHBondContact O-CA 3.25Å; C498-H513 WeakPolarHBondContact CB-O 3.29Å; C498-H513 PolarHBondContact N-O 2.88Å; H501-H513 HydrophobicContact CB-CB 4.25Å; H501-H513 AromaticContact CD2-CE1 3.62Å; H501-H513 AromaticContact CD2-CG 3.87Å; H501-H513 AromaticContact CD2-ND1 3.4Å; H501-H513 PolarHBondContact CD2-ND1 3.17Å; H501-H513 AromaticContact CE1-CD2 3.4Å; H501-H513 PolarHBondContact CE1-CD2 3.28Å; H501-H513 VanDerWaalsContact CE1-CD2 3.4Å; H501-H513 AromaticContact CE1-CE1 3.92Å; H501-H513 AromaticContact CE1-CG 3.47Å; H501-H513 VanDerWaalsContact CE1-CG 3.47Å; H501-H513 AromaticContact CE1-ND1 3.77Å; H501-H513 AromaticContact CE1-NE2 3.69Å; H501-H513 AromaticContact CG-CG 3.66Å; H501-H513 AromaticContact CG-ND1 3.53Å; H501-H513 AromaticContact ND1-CD2 3.82Å; H501-H513 AromaticContact ND1-CG 3.42Å; H501-H513 AromaticContact ND1-ND1 3.77Å; H501-H513 AromaticContact NE2-CD2 3.71Å; H501-H513 AromaticContact NE2-CE1 3.45Å; H501-H513 PolarHBondContact NE2-CE1 2.95Å; H501-H513 AromaticContact NE2-CG 3.77Å; H501-H513 AromaticContact NE2-ND1 3.58Å; H501-H513 AromaticContact NE2-NE2 3.5Å; H501-H513 PolarHBondContact NE2-NE2 2.77Å; H501-H513 PolarHBondContact O-ND1 3.28Å
514M97Very high92.7Very high0 Ų028.8 Ų28.80%018%0.178CC..BIsolated β-bridgetrans-63.8151.4174.9-65.9-179.6-63.300110.6M181 R470 V472 F496 L497 C518 V520 S668M181-M514 HydrophobicContact CE-CE 3.37Å; M181-M514 HydrophobicContact SD-CE 4.03Å; R470-M514 PolarHBondContact O-N 3.47Å; V472-M514 HydrophobicContact CG2-CE 4.28Å; V472-M514 HydrophobicContact CG2-CG 3.65Å; V472-M514 HydrophobicContact CG2-SD 3.93Å; F496-M514 VanDerWaalsContact O-CA 3.28Å; F496-M514 WeakPolarHBondContact O-CA 3.44Å; L497-M514 HydrophobicContact CD2-CG 4.32Å; M514-C518 HydrophobicContact CB-CB 4.28Å; M514-V520 HydrophobicContact CE-CG2 4.35Å; M514-V520 HydrophobicContact SD-CG2 3.72Å; M514-S668 WeakPolarHBondContact O-CB 3.3Å
515T96.5Very high92.1Very high0 Ų027.2 Ų27.20%017%0.174CC..  trans-61.2167.3169.661.40000111.1R470 G495 F496 S517 C518 S665 M666 L667R470-T515 PolarHBondContact NH2-O 2.95Å; G495-T515 VanDerWaalsContact C-CG2 3.44Å; G495-T515 WeakPolarHBondContact O-CG2 3.42Å; G495-T515 PolarHBondContact O-OG1 2.79Å; F496-T515 PolarHBondContact O-N 2.94Å; T515-S517 VanDerWaalsContact C-N 3.32Å; T515-S517 PolarHBondContact O-N 3.22Å; T515-C518 WeakPolarHBondContact OG1-CB 3.22Å; T515-C518 PolarHBondContact OG1-N 2.98Å; T515-S665 WeakPolarHBondContact CB-O 3.39Å; T515-M666 VanDerWaalsContact CG2-O 3.25Å; T515-M666 WeakPolarHBondContact CG2-O 3.32Å; T515-L667 WeakPolarHBondContact CA-O 3.47Å
516A93.8Very high91.6Very high10 Ų1033 Ų338%0.08318%0.18CC..SBendtrans-64.1-36.8178.600000112.6W7 L667 V669 M726W7-A516 HydrophobicContact CH2-CB 4.22Å; A516-L667 PolarHBondContact N-O 3.01Å; A516-V669 HydrophobicContact CB-CG2 4.07Å; A516-M726 HydrophobicContact CB-CE 4.21Å
517S92.6Very high91.3Very high6 Ų628.5 Ų28.54%0.04216%0.162CC..SBendtrans-87.8-20-175.659.50000114.8T515 E519 P622T515-S517 VanDerWaalsContact C-N 3.32Å; T515-S517 PolarHBondContact O-N 3.22Å; S517-E519 PolarHBondContact O-N 3.36Å; S517-P622 VanDerWaalsContact O-CD 3.24Å; S517-P622 WeakPolarHBondContact O-CD 3.38Å
518C95.1Very high91Very high1 Ų132.4 Ų32.41%0.00719%0.185CC..  trans-63132179.5176.10000112.1R470 M514 T515 M620R470-C518 PolarHBondContact NH1-O 3.23Å; R470-C518 PolarHBondContact NH2-O 2.89Å; M514-C518 HydrophobicContact CB-CB 4.28Å; T515-C518 WeakPolarHBondContact OG1-CB 3.22Å; T515-C518 PolarHBondContact OG1-N 2.98Å; C518-M620 CarbonylContact C-O 3.59Å; C518-M620 WeakPolarHBondContact CA-O 3.44Å
519E94.1Very high90.7Very high49 Ų4932.4 Ų32.423%0.22919%0.188CC..EExtended strand (participates in β ladder)trans-119.4151175.7-55.8-158.7168.100110.2K6 K40 S517 M619 M620K6-E519 IonicContact NZ-OE1 2.89Å; K6-E519 PolarHBondContact NZ-OE1 3.05Å; K40-E519 IonicContact NZ-OE2 3.42Å; K40-E519 PolarHBondContact NZ-OE2 3.42Å; S517-E519 PolarHBondContact O-N 3.36Å; E519-M619 WeakPolarHBondContact O-CA 3.44Å; E519-M620 PolarHBondContact N-O 2.83Å; E519-M620 PolarHBondContact O-N 3.01Å
520V95.3Very high90.6Very high11 Ų1132.5 Ų32.57%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-107.6130.3174.8-177.70000108.4A41 T376 M514 T522 R618A41-V520 HydrophobicContact CB-CB 4.21Å; A41-V520 HydrophobicContact CB-CG2 4.48Å; T376-V520 HydrophobicContact CG2-CG1 3.69Å; M514-V520 HydrophobicContact CE-CG2 4.35Å; M514-V520 HydrophobicContact SD-CG2 3.72Å; V520-T522 PolarHBondContact O-N 3.36Å; V520-R618 WeakPolarHBondContact CA-O 3.24Å
521V94.4Very high90.6Very high12 Ų1234.7 Ų34.77%0.07320%0.201CC..  trans-68.6116.9-179.5-177.50000110.4W592 C617 R618 M620V521-W592 HydrophobicContact CG1-CD2 4.33Å; V521-W592 HydrophobicContact CG1-CG 3.98Å; V521-W592 HydrophobicContact CG2-CB 3.98Å; V521-W592 HydrophobicContact CG2-CG 4.1Å; V521-C617 PolarHBondContact O-N 2.87Å; V521-R618 HydrophobicContact CG2-CB 4.37Å; V521-R618 PolarHBondContact N-O 2.87Å; V521-M620 HydrophobicContact CG2-CG 3.5Å
522T90.7Very high90.5Very high11 Ų1136.4 Ų36.47%0.06722%0.22CC..  trans-113.3-14.3179.853.80000113.3E44 V520 L616E44-T522 HydrophobicContact CB-CG2 3.95Å; E44-T522 WeakPolarHBondContact CB-OG1 3.16Å; E44-T522 PolarHBondContact OE2-OG1 3.43Å; V520-T522 PolarHBondContact O-N 3.36Å; T522-L616 WeakPolarHBondContact O-CD2 3.48Å
523A85.6Confident90.4Very high41 Ų4136 Ų3634%0.33922%0.218SC..  trans-93.9138.2-177.500000112.7W592 L616A523-W592 HydrophobicContact CB-CH2 3.73Å; A523-W592 HydrophobicContact CB-CZ2 3.85Å; A523-W592 HydrophobicContact CB-CZ3 4.46Å; A523-L616 WeakPolarHBondContact O-CD2 3.39Å
524T82.1Confident90.2Very high40 Ų4035.9 Ų35.925%0.24522%0.217CC..  trans-82.2143174.244.20000110.3E52 L616E52-T524 PolarHBondContact OE2-OG1 3.11Å; T524-L616 HydrophobicContact CG2-CD1 3.87Å; T524-L616 HydrophobicContact CG2-CD2 4.31Å; T524-L616 HydrophobicContact CG2-CG 4.33Å
525A78.9Confident90Very high32 Ų3238.4 Ų38.426%0.26423%0.234SC..  trans-124.3141.7174.500000110.6P590 W592A525-P590 HydrophobicContact CB-CB 4.17Å; A525-P590 HydrophobicContact CB-CG 3.52Å; A525-W592 HydrophobicContact CB-CZ2 4.19Å
526Y80.7Confident89.9Confident178 Ų17842.7 Ų42.770%0.69827%0.265SS*.  trans-85.3113.9173.2-63.2-74.7000109.8
527T81.4Confident89.9Confident45 Ų4544 Ų4428%0.27627%0.27SS..  trans-93.72.3-174.452.90000114.3A529 L530 P531 T614T527-A529 PolarHBondContact O-N 3.42Å; T527-A529 VanDerWaalsContact O-N 3.09Å; T527-L530 HydrophobicContact CG2-CD1 3.91Å; T527-L530 WeakPolarHBondContact O-CB 3.34Å; T527-L530 PolarHBondContact O-N 3.37Å; T527-P531 WeakPolarHBondContact O-CD 3.35Å; T527-T614 HydrophobicContact CG2-CG2 3.92Å; T527-T614 WeakPolarHBondContact CG2-OG1 3.43Å
528T86Confident89.8Confident125 Ų12545.2 Ų45.277%0.76728%0.284SS*.THydrogen-bonded Turntrans-58.3-28.4-174510000114.3
529A88.2Confident89.8Confident46 Ų4645.4 Ų45.438%0.3829%0.285SS..THydrogen-bonded Turntrans-83.2-17.3177.700000114T527 L533T527-A529 PolarHBondContact O-N 3.42Å; T527-A529 VanDerWaalsContact O-N 3.09Å; A529-L533 PolarHBondContact O-N 3.09Å; A529-L533 VanDerWaalsContact O-N 3.12Å
530L90.6Very high89.8Confident12 Ų1244.6 Ų44.66%0.06328%0.283CS..Hα-helixtrans-68.4-44.1-174-67.9177000113.1T527 A532 L533 L534 L558 V589 T614T527-L530 HydrophobicContact CG2-CD1 3.91Å; T527-L530 WeakPolarHBondContact O-CB 3.34Å; T527-L530 PolarHBondContact O-N 3.37Å; L530-A532 VanDerWaalsContact C-N 3.31Å; L530-A532 PolarHBondContact O-N 3.41Å; L530-L533 HydrophobicContact CD2-CD2 4.33Å; L530-L533 WeakPolarHBondContact O-CB 3.11Å; L530-L533 PolarHBondContact O-N 2.89Å; L530-L533 VanDerWaalsContact O-N 3.13Å; L530-L534 VanDerWaalsContact O-CG 3.3Å; L530-L534 WeakPolarHBondContact O-CG 3.49Å; L530-L534 PolarHBondContact O-N 3.2Å; L530-L558 HydrophobicContact CB-CD2 4Å; L530-L558 HydrophobicContact CD1-CD1 4.14Å; L530-L558 HydrophobicContact CD1-CD2 4.45Å; L530-V589 HydrophobicContact CD2-CG2 4.04Å; L530-T614 HydrophobicContact CD1-CG2 3.97Å
531P92Very high89.7Confident46 Ų4646.9 Ų46.930%0.29930%0.298SS..Hα-helixtrans-56.5-42.4176.1-28.536.6000113.4T527 L534 C535 L558 V563T527-P531 WeakPolarHBondContact O-CD 3.35Å; P531-L534 PolarHBondContact O-N 2.78Å; P531-C535 PolarHBondContact O-N 3.33Å; P531-C535 PolarHBondContact O-SG 3.26Å; P531-L558 HydrophobicContact CG-CD2 4.11Å; P531-V563 HydrophobicContact CB-CG1 4.03Å
532A92.3Very high89.4Confident67 Ų6747.4 Ų47.455%0.55430%0.301SS*.Hα-helixtrans-65.8-39.2176.800000112.1L530 C535 S536L530-A532 VanDerWaalsContact C-N 3.31Å; L530-A532 PolarHBondContact O-N 3.41Å; A532-C535 PolarHBondContact O-N 3.01Å; A532-S536 PolarHBondContact O-N 3.24Å
533L93.4Very high89.2Confident19 Ų1952.9 Ų52.910%0.09933%0.33CS..Hα-helixtrans-62.8-44.4173.7179.264.9000111.4A529 L530 C535 S536 L537 L578 F581 K587 V589A529-L533 PolarHBondContact O-N 3.09Å; A529-L533 VanDerWaalsContact O-N 3.12Å; L530-L533 HydrophobicContact CD2-CD2 4.33Å; L530-L533 WeakPolarHBondContact O-CB 3.11Å; L530-L533 PolarHBondContact O-N 2.89Å; L530-L533 VanDerWaalsContact O-N 3.13Å; L533-C535 VanDerWaalsContact C-N 3.31Å; L533-C535 PolarHBondContact O-N 2.71Å; L533-S536 PolarHBondContact O-N 3.13Å; L533-S536 VanDerWaalsContact O-N 3.12Å; L533-S536 PolarHBondContact O-OG 2.83Å; L533-L537 HydrophobicContact CG-CD1 4.32Å; L533-L537 WeakPolarHBondContact O-CG 3.47Å; L533-L537 PolarHBondContact O-N 3.26Å; L533-L537 VanDerWaalsContact O-N 3.12Å; L533-L578 HydrophobicContact CD2-CD2 4.28Å; L533-F581 HydrophobicContact CD1-CE2 4.4Å; L533-F581 HydrophobicContact CD2-CD2 4.48Å; L533-K587 HydrophobicContact CD1-CB 4.17Å; L533-K587 HydrophobicContact CD1-CD 4.43Å; L533-K587 HydrophobicContact CD1-CG 4.29Å; L533-K587 HydrophobicContact CD2-CB 4Å; L533-V589 HydrophobicContact CD2-CG2 3.69Å
534L94Very high89.1Confident2 Ų252 Ų521%0.0133%0.325CS..Hα-helixtrans-59.2-43.6176.7-69.4169.4000111.3L530 P531 S536 L537 G538 V539 V556 V563 L578 L612L530-L534 VanDerWaalsContact O-CG 3.3Å; L530-L534 WeakPolarHBondContact O-CG 3.49Å; L530-L534 PolarHBondContact O-N 3.2Å; P531-L534 PolarHBondContact O-N 2.78Å; L534-S536 VanDerWaalsContact C-N 3.31Å; L534-S536 PolarHBondContact O-N 3.09Å; L534-L537 PolarHBondContact O-N 2.91Å; L534-L537 VanDerWaalsContact O-N 3.09Å; L534-G538 PolarHBondContact O-N 2.94Å; L534-V539 HydrophobicContact CB-CB 4.07Å; L534-V539 HydrophobicContact CB-CG2 3.89Å; L534-V539 HydrophobicContact CD2-CG2 4.35Å; L534-V539 VanDerWaalsContact O-CB 3.31Å; L534-V539 WeakPolarHBondContact O-CB 3.45Å; L534-V539 WeakPolarHBondContact O-CG2 3.4Å; L534-V539 PolarHBondContact O-N 3.28Å; L534-V556 HydrophobicContact CD1-CG1 4.23Å; L534-V563 HydrophobicContact CD1-CG1 4.26Å; L534-L578 HydrophobicContact CD2-CD1 3.81Å; L534-L578 HydrophobicContact CD2-CD2 4.25Å; L534-L612 HydrophobicContact CD1-CD1 3.74Å; L534-L612 HydrophobicContact CD2-CD1 3.72Å; L534-L612 HydrophobicContact CG-CD1 4.31Å
535C93.3Very high89.3Confident53 Ų5355.2 Ų55.236%0.35835%0.349SS..Hα-helixtrans-60.4-41.5174.9-62.90000111.9P531 A532 L533 L537 G538 V539P531-C535 PolarHBondContact O-N 3.33Å; P531-C535 PolarHBondContact O-SG 3.26Å; A532-C535 PolarHBondContact O-N 3.01Å; L533-C535 VanDerWaalsContact C-N 3.31Å; L533-C535 PolarHBondContact O-N 2.71Å; C535-L537 PolarHBondContact O-N 3.47Å; C535-G538 PolarHBondContact O-N 3.25Å; C535-V539 WeakPolarHBondContact CA-O 3.38Å
536S93.2Very high89.6Confident91 Ų9154.5 Ų54.564%0.63634%0.342SS*.Hα-helixtrans-66-19.9176.975.40000114.2A532 L533 L534A532-S536 PolarHBondContact O-N 3.24Å; L533-S536 PolarHBondContact O-N 3.13Å; L533-S536 VanDerWaalsContact O-N 3.12Å; L533-S536 PolarHBondContact O-OG 2.83Å; L534-S536 VanDerWaalsContact C-N 3.31Å; L534-S536 PolarHBondContact O-N 3.09Å
537L93.3Very high89.6Confident36 Ų3649.6 Ų49.619%0.18835%0.345CS..THydrogen-bonded Turntrans-91.10.4175.9-66.7172.6000112.9L533 L534 C535 V574 L578 F581L533-L537 HydrophobicContact CG-CD1 4.32Å; L533-L537 WeakPolarHBondContact O-CG 3.47Å; L533-L537 PolarHBondContact O-N 3.26Å; L533-L537 VanDerWaalsContact O-N 3.12Å; L534-L537 PolarHBondContact O-N 2.91Å; L534-L537 VanDerWaalsContact O-N 3.09Å; C535-L537 PolarHBondContact O-N 3.47Å; L537-V574 HydrophobicContact CB-CG1 4.25Å; L537-V574 HydrophobicContact CB-CG2 4.25Å; L537-V574 HydrophobicContact CD1-CG1 4.32Å; L537-V574 WeakPolarHBondContact O-CG2 3.35Å; L537-L578 HydrophobicContact CD1-CD2 3.79Å; L537-L578 HydrophobicContact CD1-CG 4.03Å; L537-F581 HydrophobicContact CD1-CE2 4.29Å; L537-F581 HydrophobicContact CD2-CE2 4.13Å
538G91.1Very high89.9Confident33 Ų3350.4 Ų50.434%0.3435%0.346SS..THydrogen-bonded Turntrans101.213.4177.600000115.2L534 C535 T540L534-G538 PolarHBondContact O-N 2.94Å; C535-G538 PolarHBondContact O-N 3.25Å; G538-T540 PolarHBondContact O-N 3.07Å
539V94.4Very high90Very high4 Ų446.8 Ų46.82%0.02433%0.329CS..PPolyproline II helixtrans-74.3122.6167.8-179.30000109.2L534 C535 V556 V566L534-V539 HydrophobicContact CB-CB 4.07Å; L534-V539 HydrophobicContact CB-CG2 3.89Å; L534-V539 HydrophobicContact CD2-CG2 4.35Å; L534-V539 VanDerWaalsContact O-CB 3.31Å; L534-V539 WeakPolarHBondContact O-CB 3.45Å; L534-V539 WeakPolarHBondContact O-CG2 3.4Å; L534-V539 PolarHBondContact O-N 3.28Å; C535-V539 WeakPolarHBondContact CA-O 3.38Å; V539-V556 HydrophobicContact CG1-CB 4.12Å; V539-V556 HydrophobicContact CG1-CG1 4.45Å; V539-V556 HydrophobicContact CG1-CG2 3.79Å; V539-V556 HydrophobicContact CG2-CG2 4.14Å; V539-V566 HydrophobicContact CG2-CB 4.28Å
540T94.8Very high90Very high32 Ų3246.2 Ų46.220%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-79.5125.2173.7-570000109G538 G564 W565G538-T540 PolarHBondContact O-N 3.07Å; T540-G564 CarbonylContact O-C 3.57Å; T540-G564 WeakPolarHBondContact O-CA 3.19Å; T540-W565 PolarHBondContact N-O 3.38Å; T540-W565 PolarHBondContact O-N 2.96Å
541P93.6Very high89.8Confident59 Ų5949 Ų4938%0.38334%0.337SS..EExtended strand (participates in β ladder)trans-63.2162.1-179.427.3-35.5000112.2D543 G544P541-D543 PolarHBondContact O-N 3.49Å; P541-D543 VanDerWaalsContact O-N 3.13Å; P541-G544 PolarHBondContact O-N 3.36Å
542V89Confident89.7Confident23 Ų2350.7 Ų50.714%0.13934%0.344CS..THydrogen-bonded Turntrans-54.2-32-178.1-740000115.2Y344 G544 V562 V563Y344-V542 HydrophobicContact CD2-CB 4.38Å; Y344-V542 HydrophobicContact CD2-CG2 4.2Å; Y344-V542 HydrophobicContact CE2-CB 4.16Å; Y344-V542 HydrophobicContact CE2-CG2 3.85Å; V542-G544 VanDerWaalsContact C-N 3.32Å; V542-V562 HydrophobicContact CG1-CB 4.47Å; V542-V562 HydrophobicContact CG1-CG1 3.96Å; V542-V562 VanDerWaalsContact CG1-O 3.26Å; V542-V562 WeakPolarHBondContact CG1-O 3.38Å; V542-V563 PolarHBondContact N-O 3.36Å
543D84.8Confident89.8Confident127 Ų12747.7 Ų47.768%0.67932%0.319SS*.THydrogen-bonded Turntrans-83.9-8.3179.3-57.3-34.3000113Y344 P541Y344-D543 PolarHBondContact OH-OD1 2.89Å; P541-D543 PolarHBondContact O-N 3.49Å; P541-D543 VanDerWaalsContact O-N 3.13Å
544G84.9Confident89.8Confident22 Ų2247.7 Ų47.723%0.22732%0.318CS..SBendtrans-93.7158.2178.900000113P541 V542P541-G544 PolarHBondContact O-N 3.36Å; V542-G544 VanDerWaalsContact C-N 3.32Å
545S84.7Confident89.9Confident107 Ų10747.9 Ų47.975%0.74832%0.319SS*.PPolyproline II helixtrans-99.2124.3169.9-59.40000109.7
546P86.1Confident90Very high18 Ų1845.4 Ų45.412%0.11730%0.302CS..PPolyproline II helixtrans-65.9161.9174.726.1-30.5000111.3Q548 F550P546-Q548 VanDerWaalsContact C-N 3.31Å; P546-Q548 WeakPolarHBondContact CG-O 3.33Å; P546-F550 VanDerWaalsContact CD-CE1 3.43Å; P546-F550 VanDerWaalsContact CD-CZ 3.44Å; P546-F550 HydrophobicContact CG-CD1 3.88Å; P546-F550 HydrophobicContact CG-CE1 3.65Å; P546-F550 HydrophobicContact CG-CG 4.45Å; P546-F550 HydrophobicContact CG-CZ 4.03Å
547G81.5Confident90.1Very high74 Ų7441.4 Ų41.476%0.76327%0.274SS*.SBendtrans-71-27.6178.200000113.2E567G547-E567 WeakPolarHBondContact CA-OE1 3.12Å; G547-E567 PolarHBondContact N-OE1 3.35Å
548Q87.9Confident90.2Very high63 Ų6340.1 Ų40.129%0.29427%0.267SS..SBendtrans-102.1167.9174.1-62.1-175.91.600112P546 D552 E567 D569P546-Q548 VanDerWaalsContact C-N 3.31Å; P546-Q548 WeakPolarHBondContact CG-O 3.33Å; Q548-D552 HydrophobicContact CB-CB 4.36Å; Q548-E567 HydrophobicContact CB-CG 4.41Å; Q548-E567 HydrophobicContact CG-CG 4.22Å; Q548-E567 PolarHBondContact N-OE1 3.47Å; Q548-D569 PolarHBondContact NE2-OD2 3.02Å
549A87.3Confident90.3Very high49 Ų4939.5 Ų39.541%0.40526%0.256SS..  trans-61.6148.817300000111.2C551 D552 C553A549-C551 WeakPolarHBondContact CB-SG 3.29Å; A549-C551 PolarHBondContact O-N 2.68Å; A549-C551 VanDerWaalsContact O-N 3.15Å; A549-D552 PolarHBondContact O-N 3.03Å; A549-C553 PolarHBondContact O-N 2.68Å; A549-C553 PolarHBondContact O-SG 3.23Å; A549-C553 VanDerWaalsContact O-SG 3.38Å
550F87.8Confident90.2Very high33 Ų3339.3 Ų39.315%0.14526%0.255CS..G310 helixtrans-61-27.1-179.1-73.2-76.8000113.1K270 P546 D552 C553 W565K270-F550 HydrophobicContact CD-CE1 4.27Å; K270-F550 HydrophobicContact CD-CE2 4.4Å; K270-F550 HydrophobicContact CD-CZ 4.2Å; K270-F550 HydrophobicContact CG-CD2 4.43Å; K270-F550 HydrophobicContact CG-CE2 4.5Å; P546-F550 VanDerWaalsContact CD-CE1 3.43Å; P546-F550 VanDerWaalsContact CD-CZ 3.44Å; P546-F550 HydrophobicContact CG-CD1 3.88Å; P546-F550 HydrophobicContact CG-CE1 3.65Å; P546-F550 HydrophobicContact CG-CG 4.45Å; P546-F550 HydrophobicContact CG-CZ 4.03Å; F550-D552 PolarHBondContact O-N 3.26Å; F550-C553 PolarHBondContact O-N 3.03Å; F550-W565 AromaticContact CD1-CD2 3.85Å; F550-W565 HydrophobicContact CD1-CD2 3.85Å; F550-W565 AromaticContact CD1-CE2 3.87Å; F550-W565 HydrophobicContact CD1-CE3 4.25Å; F550-W565 HydrophobicContact CD1-CG 4.09Å; F550-W565 HydrophobicContact CD1-CZ2 4.3Å; F550-W565 AromaticContact CE1-CD1 3.82Å; F550-W565 HydrophobicContact CE1-CD2 4.24Å; F550-W565 HydrophobicContact CE1-CG 4.09Å; F550-W565 AromaticContact CE1-NE1 3.83Å
551C87Confident90.2Very high70 Ų7038.8 Ų38.847%0.47325%0.252SS..G310 helixtrans-63.7-27.2173.653.50000112.8A549 K600A549-C551 WeakPolarHBondContact CB-SG 3.29Å; A549-C551 PolarHBondContact O-N 2.68Å; A549-C551 VanDerWaalsContact O-N 3.15Å; C551-K600 PolarHBondContact O-NZ 3.39Å
552D90.3Very high90.2Very high83 Ų8336.4 Ų36.444%0.44424%0.237SC..G310 helixtrans-95.4-0177.8-62-40.3000112.6Q548 A549 F550 A568 K600Q548-D552 HydrophobicContact CB-CB 4.36Å; A549-D552 PolarHBondContact O-N 3.03Å; F550-D552 PolarHBondContact O-N 3.26Å; D552-A568 WeakPolarHBondContact O-CB 3.41Å; D552-A568 PolarHBondContact O-N 3.02Å; D552-K600 VanDerWaalsContact C-NZ 3.27Å
553C92.9Very high90.5Very high3 Ų336.1 Ų36.12%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-99.2157.2174.3-61.10000112.3A549 F550 W565 V566 K600A549-C553 PolarHBondContact O-N 2.68Å; A549-C553 PolarHBondContact O-SG 3.23Å; A549-C553 VanDerWaalsContact O-SG 3.38Å; F550-C553 PolarHBondContact O-N 3.03Å; C553-W565 HydrophobicContact CB-CB 4.16Å; C553-W565 HydrophobicContact CB-CE3 4.01Å; C553-V566 CarbonylContact C-O 3.57Å; C553-V566 VanDerWaalsContact CA-O 3.27Å; C553-V566 WeakPolarHBondContact CA-O 3.03Å; C553-K600 WeakPolarHBondContact O-CE 3.14Å; C553-K600 PolarHBondContact O-NZ 2.99Å
554Y94.3Very high90.9Very high20 Ų2030 Ų308%0.07820%0.203CC..EExtended strand (participates in β ladder)trans-100.2133.8167-70.7-81000110.1W565 V566 A568 A571 V598 K600 P608Y554-W565 WeakPolarHBondContact O-CA 3.25Å; Y554-V566 PolarHBondContact N-O 2.78Å; Y554-V566 PolarHBondContact O-N 3.44Å; Y554-A568 HydrophobicContact CD2-CB 4.16Å; Y554-A568 HydrophobicContact CE2-CB 3.68Å; Y554-A571 HydrophobicContact CD2-CB 3.67Å; Y554-A571 HydrophobicContact CE2-CB 4.09Å; Y554-V598 VanDerWaalsContact CE1-O 3.26Å; Y554-V598 WeakPolarHBondContact CE1-O 3.36Å; Y554-K600 HydrophobicContact CE1-CB 4.49Å; Y554-K600 HydrophobicContact CE1-CD 4.06Å; Y554-K600 HydrophobicContact CE1-CG 3.64Å; Y554-K600 PolarHBondContact OH-N 2.79Å; Y554-P608 HydrophobicContact CD1-CB 4.02Å; Y554-P608 HydrophobicContact CE1-CB 3.75Å
555P95.1Very high91.4Very high6 Ų629.7 Ų29.74%0.03919%0.194CC..EExtended strand (participates in β ladder)trans-68.4136.2168.827.6-31.6000109.9F348 W565 Y607 G609 L610F348-P555 HydrophobicContact CD2-CB 4.19Å; F348-P555 HydrophobicContact CD2-CG 4.39Å; F348-P555 HydrophobicContact CE2-CB 3.9Å; F348-P555 HydrophobicContact CE2-CG 3.71Å; P555-W565 HydrophobicContact CB-CE3 4.05Å; P555-W565 HydrophobicContact CB-CH2 4.16Å; P555-W565 HydrophobicContact CB-CZ3 3.84Å; P555-W565 HydrophobicContact CG-CZ3 4.2Å; P555-Y607 HydrophobicContact CG-CE1 4.32Å; P555-G609 WeakPolarHBondContact O-CA 3.43Å; P555-L610 PolarHBondContact O-N 2.87Å
556V96.2Very high91.9Very high0 Ų024.6 Ų24.60%016%0.159CC..EExtended strand (participates in β ladder)trans-105.7118.5177.5-174.30000109.2L534 V539 V563 G564 V566 L610L534-V556 HydrophobicContact CD1-CG1 4.23Å; V539-V556 HydrophobicContact CG1-CB 4.12Å; V539-V556 HydrophobicContact CG1-CG1 4.45Å; V539-V556 HydrophobicContact CG1-CG2 3.79Å; V539-V556 HydrophobicContact CG2-CG2 4.14Å; V556-V563 PolarHBondContact O-N 2.97Å; V556-G564 PolarHBondContact N-O 3.01Å; V556-V566 HydrophobicContact CG2-CB 3.99Å; V556-V566 HydrophobicContact CG2-CG1 3.7Å; V556-L610 WeakPolarHBondContact CA-O 3.48Å; V556-L610 HydrophobicContact CG1-CD2 4.16Å; V556-L610 HydrophobicContact CG1-CG 4.4Å; V556-L610 HydrophobicContact CG2-CB 4.25Å; V556-L610 HydrophobicContact CG2-CD2 4.22Å
557V95.9Very high92.3Very high7 Ų726.5 Ų26.54%0.04217%0.166CC..EExtended strand (participates in β ladder)trans-121.6124.3-176.4-175.60000110F348 S561 V562 L610 F611 L612F348-V557 HydrophobicContact CE2-CG2 4.35Å; F348-V557 HydrophobicContact CZ-CG2 4.26Å; V557-S561 CarbonylContact C-O 3.51Å; V557-S561 WeakPolarHBondContact CA-O 3.25Å; V557-V562 HydrophobicContact CG2-CG2 4.4Å; V557-L610 PolarHBondContact N-O 3.26Å; V557-F611 HydrophobicContact CB-CD1 3.91Å; V557-F611 HydrophobicContact CB-CE1 4.36Å; V557-F611 HydrophobicContact CG2-CD1 4.17Å; V557-F611 HydrophobicContact CG2-CE1 4.11Å; V557-L612 PolarHBondContact O-N 3.09Å
558L94.8Very high92.8Very high10 Ų1024.3 Ų24.35%0.05214%0.141CC..EExtended strand (participates in β ladder)trans-112.6111.4177.2176.564.4000109.9L530 P531 G560 S561 V563 L612 T614L530-L558 HydrophobicContact CB-CD2 4Å; L530-L558 HydrophobicContact CD1-CD1 4.14Å; L530-L558 HydrophobicContact CD1-CD2 4.45Å; P531-L558 HydrophobicContact CG-CD2 4.11Å; L558-G560 PolarHBondContact O-N 3.32Å; L558-S561 PolarHBondContact N-O 2.8Å; L558-S561 WeakPolarHBondContact O-CB 3.46Å; L558-S561 PolarHBondContact O-N 3.32Å; L558-V563 HydrophobicContact CB-CG2 3.62Å; L558-V563 HydrophobicContact CD2-CG2 4.43Å; L558-L612 HydrophobicContact CD1-CB 3.7Å; L558-L612 HydrophobicContact CD1-CD1 4.42Å; L558-T614 HydrophobicContact CD1-CG2 4.24Å
559D93.3Very high93.1Very high20 Ų2027.6 Ų27.611%0.10716%0.16CC..THydrogen-bonded Turntrans5130.8177.6-65-47.9000114.7N188 L612 F613 T614 T615N188-D559 VanDerWaalsContact CB-O 3.23Å; N188-D559 WeakPolarHBondContact CB-O 3.28Å; N188-D559 PolarHBondContact ND2-O 2.98Å; D559-L612 PolarHBondContact N-O 3.38Å; D559-F613 VanDerWaalsContact OD1-CA 3.28Å; D559-F613 WeakPolarHBondContact OD1-CA 3.44Å; D559-T614 PolarHBondContact OD1-N 3.39Å; D559-T614 PolarHBondContact OD2-OG1 3.23Å; D559-T615 HydrophobicContact CB-CG2 4.17Å; D559-T615 WeakPolarHBondContact OD1-CG2 3.33Å; D559-T615 PolarHBondContact OD1-N 3.13Å
560G92.1Very high93.4Very high0 Ų028.1 Ų28.10%016%0.156CC..THydrogen-bonded Turntrans94.3-6.9-177.300000115.1N188 L345 L558N188-G560 VanDerWaalsContact O-CA 3.25Å; N188-G560 WeakPolarHBondContact O-CA 3.48Å; L345-G560 WeakPolarHBondContact CD1-O 3.2Å; L558-G560 PolarHBondContact O-N 3.32Å
561S94.6Very high93.7Very high20 Ų2026.6 Ų26.614%0.1415%0.149CC..EExtended strand (participates in β ladder)trans-89.6129.1171.3-171.40000110.6V557 L558 V563V557-S561 CarbonylContact C-O 3.51Å; V557-S561 WeakPolarHBondContact CA-O 3.25Å; L558-S561 PolarHBondContact N-O 2.8Å; L558-S561 WeakPolarHBondContact O-CB 3.46Å; L558-S561 PolarHBondContact O-N 3.32Å; S561-V563 PolarHBondContact O-N 3.39Å
562V94.8Very high94Very high9 Ų926.2 Ų26.26%0.05515%0.146CC..EExtended strand (participates in β ladder)trans-79.6109.1174.9-176.20000107.8F348 V542 V557F348-V562 HydrophobicContact CB-CG2 3.92Å; F348-V562 HydrophobicContact CG-CG2 4.26Å; V542-V562 HydrophobicContact CG1-CB 4.47Å; V542-V562 HydrophobicContact CG1-CG1 3.96Å; V542-V562 VanDerWaalsContact CG1-O 3.26Å; V542-V562 WeakPolarHBondContact CG1-O 3.38Å; V557-V562 HydrophobicContact CG2-CG2 4.4Å
563V93.7Very high94.2Very high17 Ų1725.4 Ų25.410%0.10315%0.147CC..EExtended strand (participates in β ladder)trans-85.8-34.8-175.6-179.30000111.2P531 L534 V542 V556 L558 S561P531-V563 HydrophobicContact CB-CG1 4.03Å; L534-V563 HydrophobicContact CD1-CG1 4.26Å; V542-V563 PolarHBondContact N-O 3.36Å; V556-V563 PolarHBondContact O-N 2.97Å; L558-V563 HydrophobicContact CB-CG2 3.62Å; L558-V563 HydrophobicContact CD2-CG2 4.43Å; S561-V563 PolarHBondContact O-N 3.39Å
564G94Very high94.4Very high0 Ų025.3 Ų25.30%015%0.146CC..EExtended strand (participates in β ladder)trans166.3-154.3-174.900000113.8T540 V556T540-G564 CarbonylContact O-C 3.57Å; T540-G564 WeakPolarHBondContact O-CA 3.19Å; V556-G564 PolarHBondContact N-O 3.01Å
565W94.8Very high94.4Very high14 Ų1424.6 Ų24.65%0.05314%0.144CC..EExtended strand (participates in β ladder)trans-132.3144-176.5-6086.3000110.5T540 F550 C553 Y554 P555T540-W565 PolarHBondContact N-O 3.38Å; T540-W565 PolarHBondContact O-N 2.96Å; F550-W565 AromaticContact CD1-CD2 3.85Å; F550-W565 HydrophobicContact CD1-CD2 3.85Å; F550-W565 AromaticContact CD1-CE2 3.87Å; F550-W565 HydrophobicContact CD1-CE3 4.25Å; F550-W565 HydrophobicContact CD1-CG 4.09Å; F550-W565 HydrophobicContact CD1-CZ2 4.3Å; F550-W565 AromaticContact CE1-CD1 3.82Å; F550-W565 HydrophobicContact CE1-CD2 4.24Å; F550-W565 HydrophobicContact CE1-CG 4.09Å; F550-W565 AromaticContact CE1-NE1 3.83Å; C553-W565 HydrophobicContact CB-CB 4.16Å; C553-W565 HydrophobicContact CB-CE3 4.01Å; Y554-W565 WeakPolarHBondContact O-CA 3.25Å; P555-W565 HydrophobicContact CB-CE3 4.05Å; P555-W565 HydrophobicContact CB-CH2 4.16Å; P555-W565 HydrophobicContact CB-CZ3 3.84Å; P555-W565 HydrophobicContact CG-CZ3 4.2Å
566V95.6Very high94.3Very high1 Ų128.7 Ų28.71%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-124.9138.6174.163.90000109.5V539 C553 Y554 V556 L570 A571 V574V539-V566 HydrophobicContact CG2-CB 4.28Å; C553-V566 CarbonylContact C-O 3.57Å; C553-V566 VanDerWaalsContact CA-O 3.27Å; C553-V566 WeakPolarHBondContact CA-O 3.03Å; Y554-V566 PolarHBondContact N-O 2.78Å; Y554-V566 PolarHBondContact O-N 3.44Å; V556-V566 HydrophobicContact CG2-CB 3.99Å; V556-V566 HydrophobicContact CG2-CG1 3.7Å; V566-L570 HydrophobicContact CG2-CB 4.24Å; V566-L570 HydrophobicContact CG2-CD2 4.45Å; V566-L570 HydrophobicContact CG2-CG 4.43Å; V566-A571 HydrophobicContact CG1-CB 3.82Å; V566-A571 HydrophobicContact CG2-CB 4.37Å; V566-V574 HydrophobicContact CG2-CG2 4.15Å
567E94.4Very high94.3Very high58 Ų5830.4 Ų30.427%0.27118%0.178SC..EExtended strand (participates in β ladder)trans-63.2144.3177.2-63.1-178.917600110.6G547 Q548 D569 L570 A571G547-E567 WeakPolarHBondContact CA-OE1 3.12Å; G547-E567 PolarHBondContact N-OE1 3.35Å; Q548-E567 HydrophobicContact CB-CG 4.41Å; Q548-E567 HydrophobicContact CG-CG 4.22Å; Q548-E567 PolarHBondContact N-OE1 3.47Å; E567-D569 PolarHBondContact O-N 3.37Å; E567-L570 HydrophobicContact CB-CB 4.49Å; E567-L570 PolarHBondContact O-N 3.19Å; E567-L570 VanDerWaalsContact O-N 3.1Å; E567-A571 PolarHBondContact O-N 3.3Å; E567-A571 VanDerWaalsContact O-N 3.07Å
568A92.3Very high94.2Very high28 Ų2830.3 Ų30.323%0.23118%0.177CC..THydrogen-bonded Turntrans-59.1-36.3-173.800000113.4D552 Y554 L570 P572D552-A568 WeakPolarHBondContact O-CB 3.41Å; D552-A568 PolarHBondContact O-N 3.02Å; Y554-A568 HydrophobicContact CD2-CB 4.16Å; Y554-A568 HydrophobicContact CE2-CB 3.68Å; A568-L570 VanDerWaalsContact C-N 3.32Å; A568-L570 PolarHBondContact O-N 2.66Å; A568-P572 WeakPolarHBondContact O-CD 3.25Å
569D93.1Very high94.2Very high131 Ų13131.2 Ų31.270%0.70118%0.18SC*.THydrogen-bonded Turntrans-70-30.4-179.8-57-39.1000112.3Q548 E567Q548-D569 PolarHBondContact NE2-OD2 3.02Å; E567-D569 PolarHBondContact O-N 3.37Å
570L94Very high94.2Very high61 Ų6137.3 Ų37.332%0.31920%0.201SC..THydrogen-bonded Turntrans-88.7-24.8-177.2-170.462.2000112.7V566 E567 A568 S573 V574V566-L570 HydrophobicContact CG2-CB 4.24Å; V566-L570 HydrophobicContact CG2-CD2 4.45Å; V566-L570 HydrophobicContact CG2-CG 4.43Å; E567-L570 HydrophobicContact CB-CB 4.49Å; E567-L570 PolarHBondContact O-N 3.19Å; E567-L570 VanDerWaalsContact O-N 3.1Å; A568-L570 VanDerWaalsContact C-N 3.32Å; A568-L570 PolarHBondContact O-N 2.66Å; L570-S573 WeakPolarHBondContact O-CB 3.47Å; L570-S573 PolarHBondContact O-N 3.44Å; L570-S573 VanDerWaalsContact O-N 3.12Å; L570-V574 HydrophobicContact CD2-CG2 4.49Å; L570-V574 HydrophobicContact CG-CG2 4Å; L570-V574 WeakPolarHBondContact O-CG2 3.33Å; L570-V574 PolarHBondContact O-N 2.98Å; L570-V574 VanDerWaalsContact O-N 3.09Å
571A94.3Very high94.3Very high0 Ų039 Ų390%021%0.209CC..Hα-helixtrans-54.8-42.7-173.100000115Y554 V566 E567 V574 A575 L597Y554-A571 HydrophobicContact CD2-CB 3.67Å; Y554-A571 HydrophobicContact CE2-CB 4.09Å; V566-A571 HydrophobicContact CG1-CB 3.82Å; V566-A571 HydrophobicContact CG2-CB 4.37Å; E567-A571 PolarHBondContact O-N 3.3Å; E567-A571 VanDerWaalsContact O-N 3.07Å; A571-V574 PolarHBondContact O-N 3.23Å; A571-A575 PolarHBondContact O-N 3.49Å; A571-L597 HydrophobicContact CB-CD1 3.96Å; A571-L597 HydrophobicContact CB-CD2 4.42Å
572P94.3Very high94.2Very high62 Ų6238.2 Ų38.240%0.40320%0.203SC..Hα-helixtrans-62.2-43.1176.2-22.934.8000112.7A568 V574 A575 D576 L597A568-P572 WeakPolarHBondContact O-CD 3.25Å; P572-V574 VanDerWaalsContact C-N 3.32Å; P572-V574 PolarHBondContact O-N 3.23Å; P572-A575 PolarHBondContact O-N 2.75Å; P572-D576 PolarHBondContact O-N 3.06Å; P572-L597 HydrophobicContact CB-CD2 4.36Å; P572-L597 HydrophobicContact CG-CD2 4.14Å
573S94.9Very high94.1Very high66 Ų6638.9 Ų38.946%0.46221%0.207SC..Hα-helixtrans-62.7-38.1178.3-177.60000112.2L570 S577L570-S573 WeakPolarHBondContact O-CB 3.47Å; L570-S573 PolarHBondContact O-N 3.44Å; L570-S573 VanDerWaalsContact O-N 3.12Å; S573-S577 VanDerWaalsContact O-CB 3.27Å; S573-S577 WeakPolarHBondContact O-CB 3.41Å; S573-S577 PolarHBondContact O-N 3.3Å; S573-S577 PolarHBondContact O-OG 3.05Å
574V95.3Very high94Very high2 Ų240.8 Ų40.81%0.01222%0.216CC..Hα-helixtrans-64.7-46.7174.1176.80000110.9L537 V566 L570 A571 P572 D576 S577 L578 L610L537-V574 HydrophobicContact CB-CG1 4.25Å; L537-V574 HydrophobicContact CB-CG2 4.25Å; L537-V574 HydrophobicContact CD1-CG1 4.32Å; L537-V574 WeakPolarHBondContact O-CG2 3.35Å; V566-V574 HydrophobicContact CG2-CG2 4.15Å; L570-V574 HydrophobicContact CD2-CG2 4.49Å; L570-V574 HydrophobicContact CG-CG2 4Å; L570-V574 WeakPolarHBondContact O-CG2 3.33Å; L570-V574 PolarHBondContact O-N 2.98Å; L570-V574 VanDerWaalsContact O-N 3.09Å; A571-V574 PolarHBondContact O-N 3.23Å; P572-V574 VanDerWaalsContact C-N 3.32Å; P572-V574 PolarHBondContact O-N 3.23Å; V574-D576 PolarHBondContact O-N 2.89Å; V574-S577 PolarHBondContact O-N 2.91Å; V574-L578 HydrophobicContact CG1-CD1 4.04Å; V574-L578 HydrophobicContact CG1-CG 4.44Å; V574-L578 WeakPolarHBondContact O-CB 3.24Å; V574-L578 VanDerWaalsContact O-CG 3.3Å; V574-L578 WeakPolarHBondContact O-CG 3.47Å; V574-L578 PolarHBondContact O-N 3.02Å; V574-L610 HydrophobicContact CG1-CD2 4.18Å
575A95.1Very high93.7Very high4 Ų443.8 Ų43.83%0.03325%0.247CC..Hα-helixtrans-60.5-44.617900000111.9A571 P572 L578 R579 I595 L610A571-A575 PolarHBondContact O-N 3.49Å; P572-A575 PolarHBondContact O-N 2.75Å; A575-L578 PolarHBondContact O-N 3.11Å; A575-R579 WeakPolarHBondContact O-CB 3.2Å; A575-R579 PolarHBondContact O-N 2.99Å; A575-I595 HydrophobicContact CB-CG2 4.11Å; A575-L610 HydrophobicContact CB-CD1 4.48Å
576D93.5Very high93.5Very high92 Ų9247.7 Ų47.749%0.49227%0.266SS..Hα-helixtrans-68.7-37.4178.3-72.9-22.9000112.7P572 V574 R579 R580P572-D576 PolarHBondContact O-N 3.06Å; V574-D576 PolarHBondContact O-N 2.89Å; D576-R579 PolarHBondContact O-N 2.89Å; D576-R579 IonicContact OD1-NH1 3.66Å; D576-R579 PolarHBondContact OD1-NH1 3.3Å; D576-R580 WeakPolarHBondContact O-CB 3.28Å; D576-R580 PolarHBondContact O-N 2.76Å
577S94.9Very high93Very high36 Ų3654.1 Ų54.125%0.25229%0.294SS..Hα-helixtrans-63.1-44.4174.1-64.50000111.6S573 V574 R580 F581S573-S577 VanDerWaalsContact O-CB 3.27Å; S573-S577 WeakPolarHBondContact O-CB 3.41Å; S573-S577 PolarHBondContact O-N 3.3Å; S573-S577 PolarHBondContact O-OG 3.05Å; V574-S577 PolarHBondContact O-N 2.91Å; S577-R580 PolarHBondContact O-N 3.03Å; S577-F581 VanDerWaalsContact O-CD2 3.22Å; S577-F581 WeakPolarHBondContact O-CD2 3.27Å; S577-F581 VanDerWaalsContact O-CG 3.31Å; S577-F581 WeakPolarHBondContact O-CG 3.16Å; S577-F581 PolarHBondContact O-N 3.12Å
578L94.7Very high92.6Very high6 Ų659.7 Ų59.73%0.03132%0.317CS..Hα-helixtrans-62.5-42.6175-71.5171.6000111.5L533 L534 L537 V574 A575 R580 F581 K582 I595 L612L533-L578 HydrophobicContact CD2-CD2 4.28Å; L534-L578 HydrophobicContact CD2-CD1 3.81Å; L534-L578 HydrophobicContact CD2-CD2 4.25Å; L537-L578 HydrophobicContact CD1-CD2 3.79Å; L537-L578 HydrophobicContact CD1-CG 4.03Å; V574-L578 HydrophobicContact CG1-CD1 4.04Å; V574-L578 HydrophobicContact CG1-CG 4.44Å; V574-L578 WeakPolarHBondContact O-CB 3.24Å; V574-L578 VanDerWaalsContact O-CG 3.3Å; V574-L578 WeakPolarHBondContact O-CG 3.47Å; V574-L578 PolarHBondContact O-N 3.02Å; A575-L578 PolarHBondContact O-N 3.11Å; L578-R580 VanDerWaalsContact C-N 3.34Å; L578-R580 PolarHBondContact O-N 3.18Å; L578-F581 PolarHBondContact O-N 2.82Å; L578-K582 WeakPolarHBondContact O-CB 3.41Å; L578-K582 PolarHBondContact O-N 2.8Å; L578-I595 HydrophobicContact CB-CD1 3.67Å; L578-I595 HydrophobicContact CB-CG1 4.47Å; L578-L612 HydrophobicContact CD1-CD1 4.29Å; L578-L612 HydrophobicContact CD1-CD2 4.06Å
579R94.2Very high92.5Very high29 Ų2958.7 Ų58.711%0.10931%0.308CS..Hα-helixtrans-60.1-44.1175.5-174.8171.7-67.6121.71111.3A575 D576 F581 K582 V583 I595 E632A575-R579 WeakPolarHBondContact O-CB 3.2Å; A575-R579 PolarHBondContact O-N 2.99Å; D576-R579 PolarHBondContact O-N 2.89Å; D576-R579 IonicContact OD1-NH1 3.66Å; D576-R579 PolarHBondContact OD1-NH1 3.3Å; R579-F581 PolarHBondContact O-N 2.85Å; R579-K582 WeakPolarHBondContact O-CB 3.45Å; R579-K582 PolarHBondContact O-N 3.22Å; R579-V583 WeakPolarHBondContact O-CG2 3.39Å; R579-V583 PolarHBondContact O-N 2.66Å; R579-I595 HydrophobicContact CB-CD1 4.29Å; R579-E632 VanDerWaalsContact CD-OE2 3.25Å; R579-E632 WeakPolarHBondContact CD-OE2 3.48Å; R579-E632 WeakPolarHBondContact CG-OE1 3.32Å; R579-E632 WeakPolarHBondContact CG-OE2 2.93Å; R579-E632 IonicContact NE-OE1 3.82Å; R579-E632 IonicContact NE-OE2 3.63Å
580R94Very high92.4Very high148 Ų14853.1 Ų53.156%0.55828%0.279SS*.Hα-helixtrans-61.4-44.6174.9-177.1174.6180166.21.9112.3D576 S577 L578 K582 V583 L584 L628D576-R580 WeakPolarHBondContact O-CB 3.28Å; D576-R580 PolarHBondContact O-N 2.76Å; S577-R580 PolarHBondContact O-N 3.03Å; L578-R580 VanDerWaalsContact C-N 3.34Å; L578-R580 PolarHBondContact O-N 3.18Å; R580-K582 VanDerWaalsContact C-N 3.35Å; R580-V583 PolarHBondContact O-N 3.35Å; R580-L584 HydrophobicContact CG-CD1 3.74Å; R580-L584 HydrophobicContact CG-CG 4.38Å; R580-L584 WeakPolarHBondContact O-CB 3.39Å; R580-L584 VanDerWaalsContact O-CG 3.32Å; R580-L584 WeakPolarHBondContact O-CG 3.45Å; R580-L584 PolarHBondContact O-N 2.82Å; R580-L628 HydrophobicContact CG-CD1 4.32Å; R580-L628 HydrophobicContact CG-CD2 4.41Å
581F93.9Very high92.3Very high35 Ų3553 Ų5315%0.15428%0.282CS..Hα-helixtrans-64.5-39.5177.2-62.8-35.8000112.5L533 L537 S577 L578 R579 G585 Q586 K587 V589L533-F581 HydrophobicContact CD1-CE2 4.4Å; L533-F581 HydrophobicContact CD2-CD2 4.48Å; L537-F581 HydrophobicContact CD1-CE2 4.29Å; L537-F581 HydrophobicContact CD2-CE2 4.13Å; S577-F581 VanDerWaalsContact O-CD2 3.22Å; S577-F581 WeakPolarHBondContact O-CD2 3.27Å; S577-F581 VanDerWaalsContact O-CG 3.31Å; S577-F581 WeakPolarHBondContact O-CG 3.16Å; S577-F581 PolarHBondContact O-N 3.12Å; L578-F581 PolarHBondContact O-N 2.82Å; R579-F581 PolarHBondContact O-N 2.85Å; F581-G585 PolarHBondContact O-N 3.18Å; F581-Q586 HydrophobicContact CD1-CB 4.18Å; F581-Q586 PolarHBondContact O-N 3.39Å; F581-K587 HydrophobicContact CD1-CG 4.09Å; F581-K587 HydrophobicContact CD2-CB 4.45Å; F581-K587 HydrophobicContact CD2-CG 4.29Å; F581-K587 HydrophobicContact CE1-CG 4.19Å; F581-K587 HydrophobicContact CE2-CG 4.38Å; F581-K587 HydrophobicContact CG-CB 4.35Å; F581-K587 HydrophobicContact CG-CG 4.16Å; F581-K587 HydrophobicContact CZ-CG 4.34Å; F581-V589 HydrophobicContact CB-CB 4.44Å; F581-V589 HydrophobicContact CB-CG2 3.98Å
582K92.8Very high92.2Very high4 Ų455.7 Ų55.72%0.01729%0.293CS..Hα-helixtrans-59.2-52.7174.2171-168173-1710111.6L578 R579 R580 L584 G585 V589 P591 T593 I595 E632 L633 E638L578-K582 WeakPolarHBondContact O-CB 3.41Å; L578-K582 PolarHBondContact O-N 2.8Å; R579-K582 WeakPolarHBondContact O-CB 3.45Å; R579-K582 PolarHBondContact O-N 3.22Å; R580-K582 VanDerWaalsContact C-N 3.35Å; K582-L584 PolarHBondContact O-N 3.28Å; K582-G585 PolarHBondContact O-N 2.88Å; K582-V589 HydrophobicContact CB-CG1 3.95Å; K582-P591 WeakPolarHBondContact CE-O 3.43Å; K582-T593 WeakPolarHBondContact CD-O 3.4Å; K582-T593 WeakPolarHBondContact CE-O 3.05Å; K582-T593 PolarHBondContact NZ-O 2.98Å; K582-I595 HydrophobicContact CD-CD1 4.2Å; K582-E632 IonicContact NZ-OE1 2.88Å; K582-E632 PolarHBondContact NZ-OE1 2.85Å; K582-L633 WeakPolarHBondContact CE-O 3.4Å; K582-L633 PolarHBondContact NZ-O 2.99Å; K582-E638 IonicContact NZ-OE1 2.83Å; K582-E638 IonicContact NZ-OE2 2.63Å
583V92.3Very high92.2Very high22 Ų2253 Ų5313%0.13328%0.275CS..Hα-helixtrans-68-35.7-177.4175.70000112.2R579 R580 L628 K630 E632R579-V583 WeakPolarHBondContact O-CG2 3.39Å; R579-V583 PolarHBondContact O-N 2.66Å; R580-V583 PolarHBondContact O-N 3.35Å; V583-L628 HydrophobicContact CB-CD1 3.66Å; V583-L628 HydrophobicContact CG1-CB 4.3Å; V583-L628 HydrophobicContact CG1-CD1 3.61Å; V583-L628 HydrophobicContact CG2-CD1 4.24Å; V583-K630 HydrophobicContact CG1-CB 3.69Å; V583-K630 HydrophobicContact CG1-CD 4.38Å; V583-E632 HydrophobicContact CG2-CB 3.83Å; V583-E632 HydrophobicContact CG2-CG 3.82Å
584L91.6Very high92.2Very high57 Ų5749.8 Ų49.830%0.29825%0.253SS..Hα-helixtrans-84.7-5.4178.1-63.2178.5000114R580 K582 Q586R580-L584 HydrophobicContact CG-CD1 3.74Å; R580-L584 HydrophobicContact CG-CG 4.38Å; R580-L584 WeakPolarHBondContact O-CB 3.39Å; R580-L584 VanDerWaalsContact O-CG 3.32Å; R580-L584 WeakPolarHBondContact O-CG 3.45Å; R580-L584 PolarHBondContact O-N 2.82Å; K582-L584 PolarHBondContact O-N 3.28Å; L584-Q586 VanDerWaalsContact C-N 3.31Å; L584-Q586 HydrophobicContact CB-CG 3.94Å; L584-Q586 PolarHBondContact O-N 3.42Å
585G88.5Confident92.2Very high64 Ų6449.9 Ų49.966%0.6625%0.253SS*.THydrogen-bonded Turntrans65.729.8-176.900000114F581 K582F581-G585 PolarHBondContact O-N 3.18Å; K582-G585 PolarHBondContact O-N 2.88Å
586Q89.6Confident92.2Very high95 Ų9549.7 Ų49.744%0.44425%0.251SS..  trans-98.4163.9-176.8-65.6-178.5-2.400112F581 L584 K588 V589F581-Q586 HydrophobicContact CD1-CB 4.18Å; F581-Q586 PolarHBondContact O-N 3.39Å; L584-Q586 VanDerWaalsContact C-N 3.31Å; L584-Q586 HydrophobicContact CB-CG 3.94Å; L584-Q586 PolarHBondContact O-N 3.42Å; Q586-K588 PolarHBondContact O-N 3.1Å; Q586-V589 PolarHBondContact O-N 2.82Å
587K84.9Confident92.4Very high136 Ų13647.1 Ų47.159%0.59124%0.237SC*.THydrogen-bonded Turntrans54.224.4172.1-58.9-68.9-173.8173.60115.1L533 F581 V589L533-K587 HydrophobicContact CD1-CB 4.17Å; L533-K587 HydrophobicContact CD1-CD 4.43Å; L533-K587 HydrophobicContact CD1-CG 4.29Å; L533-K587 HydrophobicContact CD2-CB 4Å; F581-K587 HydrophobicContact CD1-CG 4.09Å; F581-K587 HydrophobicContact CD2-CB 4.45Å; F581-K587 HydrophobicContact CD2-CG 4.29Å; F581-K587 HydrophobicContact CE1-CG 4.19Å; F581-K587 HydrophobicContact CE2-CG 4.38Å; F581-K587 HydrophobicContact CG-CB 4.35Å; F581-K587 HydrophobicContact CG-CG 4.16Å; F581-K587 HydrophobicContact CZ-CG 4.34Å; K587-V589 PolarHBondContact O-N 2.97Å
588K86.4Confident92.4Very high176 Ų17645.4 Ų45.477%0.76523%0.226SC*.THydrogen-bonded Turntrans58.126.8-179.9-56.9-178.8178179.20114.1Q586 P590Q586-K588 PolarHBondContact O-N 3.1Å; K588-P590 WeakPolarHBondContact O-CD 3.46Å
589V90.3Very high92.3Very high7 Ų747.5 Ų47.54%0.04224%0.24CC..  trans-78122.3171.3-177.90000108.7L530 L533 F581 K582 Q586 K587L530-V589 HydrophobicContact CD2-CG2 4.04Å; L533-V589 HydrophobicContact CD2-CG2 3.69Å; F581-V589 HydrophobicContact CB-CB 4.44Å; F581-V589 HydrophobicContact CB-CG2 3.98Å; K582-V589 HydrophobicContact CB-CG1 3.95Å; Q586-V589 PolarHBondContact O-N 2.82Å; K587-V589 PolarHBondContact O-N 2.97Å
590P91.6Very high92.1Very high14 Ų1449.8 Ų49.89%0.09125%0.25CS..  trans-61141.6177-23.432.9000112.3A525 K588 W592 T593A525-P590 HydrophobicContact CB-CB 4.17Å; A525-P590 HydrophobicContact CB-CG 3.52Å; K588-P590 WeakPolarHBondContact O-CD 3.46Å; P590-W592 HydrophobicContact CB-CD2 4.3Å; P590-W592 HydrophobicContact CB-CZ2 4.21Å; P590-W592 PolarHBondContact O-N 2.89Å; P590-T593 WeakPolarHBondContact CD-OG1 3.48Å; P590-T593 WeakPolarHBondContact O-CB 3.37Å; P590-T593 PolarHBondContact O-N 2.73Å; P590-T593 VanDerWaalsContact O-N 3.08Å; P590-T593 PolarHBondContact O-OG1 2.75Å
591P90.9Very high91.7Very high59 Ų5946.3 Ų46.338%0.38325%0.246SC..THydrogen-bonded Turntrans-67.1-18.7-177.420.7-27.8000113.9K582K582-P591 WeakPolarHBondContact CE-O 3.43Å
592W92.4Very high91.1Very high56 Ų5649 Ų4921%0.21228%0.283CS..THydrogen-bonded Turntrans-99.714.6175.758.480.5000113.4V521 A523 A525 P590 E594 R618 M620 L633V521-W592 HydrophobicContact CG1-CD2 4.33Å; V521-W592 HydrophobicContact CG1-CG 3.98Å; V521-W592 HydrophobicContact CG2-CB 3.98Å; V521-W592 HydrophobicContact CG2-CG 4.1Å; A523-W592 HydrophobicContact CB-CH2 3.73Å; A523-W592 HydrophobicContact CB-CZ2 3.85Å; A523-W592 HydrophobicContact CB-CZ3 4.46Å; A525-W592 HydrophobicContact CB-CZ2 4.19Å; P590-W592 HydrophobicContact CB-CD2 4.3Å; P590-W592 HydrophobicContact CB-CZ2 4.21Å; P590-W592 PolarHBondContact O-N 2.89Å; W592-E594 PolarHBondContact O-N 3.14Å; W592-R618 PolarHBondContact O-NH1 3.31Å; W592-R618 PolarHBondContact O-NH2 3.02Å; W592-M620 HydrophobicContact CB-CE 4.45Å; W592-M620 HydrophobicContact CB-CG 4.31Å; W592-L633 HydrophobicContact CB-CD1 4.41Å
593T93.9Very high90.8Very high4 Ų456.5 Ų56.53%0.02532%0.316CS..  trans-66.6125171.8-65.60000109.5K582 P590 I595 F613 T614K582-T593 WeakPolarHBondContact CD-O 3.4Å; K582-T593 WeakPolarHBondContact CE-O 3.05Å; K582-T593 PolarHBondContact NZ-O 2.98Å; P590-T593 WeakPolarHBondContact CD-OG1 3.48Å; P590-T593 WeakPolarHBondContact O-CB 3.37Å; P590-T593 PolarHBondContact O-N 2.73Å; P590-T593 VanDerWaalsContact O-N 3.08Å; P590-T593 PolarHBondContact O-OG1 2.75Å; T593-I595 HydrophobicContact CG2-CG1 4.13Å; T593-F613 WeakPolarHBondContact CA-O 3.34Å; T593-T614 HydrophobicContact CG2-CG2 4.12Å
594E94.8Very high90.5Very high0 Ų059.2 Ų59.20%033%0.333CS..EExtended strand (participates in β ladder)trans-94.7128.3177.2179.5178.8-170.600108.6R186 W592 V596 L612 F613 R618 T636 F637 E638R186-E594 IonicContact CZ-OE1 3.6Å; R186-E594 IonicContact CZ-OE2 3.66Å; R186-E594 IonicContact NH1-OE1 3.51Å; R186-E594 PolarHBondContact NH1-OE1 2.94Å; R186-E594 IonicContact NH1-OE2 2.79Å; R186-E594 IonicContact NH2-OE1 3.59Å; R186-E594 PolarHBondContact NH2-OE1 2.95Å; R186-E594 IonicContact NH2-OE2 3.51Å; R186-E594 PolarHBondContact NH2-OE2 2.87Å; W592-E594 PolarHBondContact O-N 3.14Å; E594-V596 HydrophobicContact CG-CG2 3.94Å; E594-L612 WeakPolarHBondContact O-CA 3.49Å; E594-F613 HydrophobicContact CB-CB 4.32Å; E594-F613 PolarHBondContact N-O 2.82Å; E594-F613 PolarHBondContact O-N 2.85Å; E594-F613 VanDerWaalsContact O-N 3.07Å; E594-R618 IonicContact OE2-NH1 2.68Å; E594-R618 PolarHBondContact OE2-NH1 2.73Å; E594-T636 PolarHBondContact OE1-N 2.83Å; E594-F637 WeakPolarHBondContact OE1-CA 3.29Å; E594-F637 WeakPolarHBondContact OE1-CB 3.4Å; E594-F637 PolarHBondContact OE1-N 3.08Å; E594-E638 HydrophobicContact CG-CB 4.04Å; E594-E638 HydrophobicContact CG-CG 3.91Å; E594-E638 PolarHBondContact OE1-N 2.89Å
595I95.9Very high90.4Very high3 Ų357.8 Ų57.82%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-120.2102.5-170.2-57.5163.3000107.7A575 L578 R579 K582 T593 L610 L612 E638A575-I595 HydrophobicContact CB-CG2 4.11Å; L578-I595 HydrophobicContact CB-CD1 3.67Å; L578-I595 HydrophobicContact CB-CG1 4.47Å; R579-I595 HydrophobicContact CB-CD1 4.29Å; K582-I595 HydrophobicContact CD-CD1 4.2Å; T593-I595 HydrophobicContact CG2-CG1 4.13Å; I595-L610 HydrophobicContact CG2-CD1 4.28Å; I595-L612 HydrophobicContact CB-CD2 4.2Å; I595-L612 HydrophobicContact CG1-CD2 4.02Å; I595-L612 HydrophobicContact CG2-CD2 3.91Å; I595-E638 PolarHBondContact N-OE2 3.18Å
596V95.9Very high90.6Very high1 Ų155.8 Ų55.81%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-111.4111.8-173.7-168.20000109.8E594 V598 L610 F611 F613 F637 E638 Y641E594-V596 HydrophobicContact CG-CG2 3.94Å; V596-V598 HydrophobicContact CG1-CG2 4.02Å; V596-L610 CarbonylContact O-C 3.56Å; V596-L610 WeakPolarHBondContact O-CA 3.15Å; V596-F611 HydrophobicContact CB-CB 4.25Å; V596-F611 PolarHBondContact N-O 3.24Å; V596-F611 PolarHBondContact O-N 3.22Å; V596-F613 HydrophobicContact CG2-CD2 4.42Å; V596-F613 HydrophobicContact CG2-CE2 4.29Å; V596-F637 HydrophobicContact CB-CD1 4.45Å; V596-F637 HydrophobicContact CB-CG 4.49Å; V596-F637 HydrophobicContact CG1-CD1 4.13Å; V596-F637 HydrophobicContact CG1-CD2 3.76Å; V596-F637 HydrophobicContact CG1-CE1 4.18Å; V596-F637 HydrophobicContact CG1-CE2 3.81Å; V596-F637 HydrophobicContact CG1-CG 3.91Å; V596-F637 HydrophobicContact CG1-CZ 4.02Å; V596-F637 HydrophobicContact CG2-CB 3.96Å; V596-F637 HydrophobicContact CG2-CD1 3.97Å; V596-F637 HydrophobicContact CG2-CG 3.89Å; V596-E638 HydrophobicContact CG2-CB 4.02Å; V596-Y641 HydrophobicContact CG1-CD2 4.23Å; V596-Y641 HydrophobicContact CG1-CE2 4.4Å
597L95.9Very high90.8Very high37 Ų3752.5 Ų52.519%0.19429%0.286CS..EExtended strand (participates in β ladder)trans-102108.5168.317961.6000108.8A571 P572 P599 L610A571-L597 HydrophobicContact CB-CD1 3.96Å; A571-L597 HydrophobicContact CB-CD2 4.42Å; P572-L597 HydrophobicContact CB-CD2 4.36Å; P572-L597 HydrophobicContact CG-CD2 4.14Å; L597-P599 WeakPolarHBondContact O-CD 3.35Å; L597-L610 HydrophobicContact CB-CD1 4.29Å; L597-L610 HydrophobicContact CD1-CB 4.45Å; L597-L610 HydrophobicContact CD1-CD1 4.49Å
598V95.2Very high91.2Very high1 Ų147.7 Ų47.71%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-89.5110.9174.2179.20000108.5Y554 V596 L606 P608 G609 F611 F637 Y641Y554-V598 VanDerWaalsContact CE1-O 3.26Å; Y554-V598 WeakPolarHBondContact CE1-O 3.36Å; V596-V598 HydrophobicContact CG1-CG2 4.02Å; V598-L606 HydrophobicContact CG1-CB 4Å; V598-P608 WeakPolarHBondContact O-CA 3.15Å; V598-G609 PolarHBondContact N-O 3.2Å; V598-G609 PolarHBondContact O-N 3.26Å; V598-F611 HydrophobicContact CB-CE2 4.44Å; V598-F611 HydrophobicContact CG2-CD2 4.1Å; V598-F611 HydrophobicContact CG2-CE2 3.92Å; V598-F637 HydrophobicContact CG2-CE2 4.22Å; V598-F637 HydrophobicContact CG2-CZ 4.05Å; V598-Y641 WeakPolarHBondContact CG1-OH 3.35Å; V598-Y641 HydrophobicContact CG2-CE2 3.83Å
599P92.9Very high91.6Very high50 Ų5039.3 Ų39.333%0.32523%0.233SC..  trans-74.2150.2-174.930.6-35.1000112.2L597 T601 Y641L597-P599 WeakPolarHBondContact O-CD 3.35Å; P599-T601 HydrophobicContact CG-CG2 4.3Å; P599-T601 PolarHBondContact O-N 3.42Å; P599-Y641 HydrophobicContact CG-CD1 4.36Å; P599-Y641 HydrophobicContact CG-CE1 4.24Å
600K90.3Very high91.9Very high76 Ų7639 Ų3933%0.3323%0.231SC..  trans-73.3119.2166.8-69.9169.3-171.7178.50109.1C551 D552 C553 Y554 P608C551-K600 PolarHBondContact O-NZ 3.39Å; D552-K600 VanDerWaalsContact C-NZ 3.27Å; C553-K600 WeakPolarHBondContact O-CE 3.14Å; C553-K600 PolarHBondContact O-NZ 2.99Å; Y554-K600 HydrophobicContact CE1-CB 4.49Å; Y554-K600 HydrophobicContact CE1-CD 4.06Å; Y554-K600 HydrophobicContact CE1-CG 3.64Å; Y554-K600 PolarHBondContact OH-N 2.79Å; K600-P608 HydrophobicContact CG-CB 3.73Å; K600-P608 HydrophobicContact CG-CG 4.04Å
601T85.8Confident92.2Very high76 Ų7638.4 Ų38.447%0.46623%0.226SC..  trans-110.63.4-174.259.90000114.5P599 K603 S605P599-T601 HydrophobicContact CG-CG2 4.3Å; P599-T601 PolarHBondContact O-N 3.42Å; T601-K603 PolarHBondContact O-N 3.49Å; T601-K603 PolarHBondContact OG1-O 3.2Å; T601-S605 WeakPolarHBondContact OG1-CB 3.45Å; T601-S605 PolarHBondContact OG1-OG 3.16Å
602G81.1Confident92.4Very high91 Ų9135.9 Ų35.994%0.93821%0.21SC*.SBendtrans63.9-3.9-17600000115
603K86.6Confident92.5Very high162 Ų16233.5 Ų33.570%0.70420%0.201SC*.SBendtrans-119.1158.4176.2-65.7179.1-177.8175.50109.5T601 S605T601-K603 PolarHBondContact O-N 3.49Å; T601-K603 PolarHBondContact OG1-O 3.2Å; K603-S605 PolarHBondContact O-N 3.14Å; K603-S605 PolarHBondContact O-OG 2.87Å
604P84.9Confident92.5Very high78 Ų7833.7 Ų33.751%0.50620%0.202SC..SBendtrans-58108.2174.4-22.833.5000110.8E360E360-P604 WeakPolarHBondContact O-CA 3.38Å
605S90.8Very high92.3Very high28 Ų2834.9 Ų34.920%0.19621%0.209CC..BIsolated β-bridgetrans-135.2-173.3-178.954.50000109.4M362 T601 K603M362-S605 PolarHBondContact N-O 3.25Å; T601-S605 WeakPolarHBondContact OG1-CB 3.45Å; T601-S605 PolarHBondContact OG1-OG 3.16Å; K603-S605 PolarHBondContact O-N 3.14Å; K603-S605 PolarHBondContact O-OG 2.87Å
606L92.4Very high92.1Very high22 Ų2235.2 Ų35.212%0.11521%0.211CC..SBendtrans-59.1150172.4-67.5-178.7000110.6E364 M370 V598 P608 F637 L640 Y641E364-L606 HydrophobicContact CG-CD2 3.41Å; E364-L606 VanDerWaalsContact CG-CD2 3.41Å; M370-L606 HydrophobicContact CE-CD1 3.81Å; M370-L606 HydrophobicContact CE-CD2 4.27Å; M370-L606 HydrophobicContact SD-CD1 3.72Å; V598-L606 HydrophobicContact CG1-CB 4Å; L606-P608 WeakPolarHBondContact O-CD 3.35Å; L606-F637 HydrophobicContact CD1-CE2 4.24Å; L606-L640 HydrophobicContact CD1-CD2 4.49Å; L606-Y641 WeakPolarHBondContact CD1-OH 3.38Å
607Y93.6Very high92Very high26 Ų2635.2 Ų35.210%0.10221%0.211CC..PPolyproline II helixtrans-61.9121.9-175.2-169.1-91.7000110.7F348 K352 T355 P555F348-Y607 HydrophobicContact CD2-CE1 4.46Å; F348-Y607 HydrophobicContact CE2-CD1 4.18Å; F348-Y607 AromaticContact CE2-CE1 3.56Å; F348-Y607 HydrophobicContact CE2-CE1 3.56Å; F348-Y607 AromaticContact CZ-CD1 4Å; F348-Y607 HydrophobicContact CZ-CD1 4Å; F348-Y607 AromaticContact CZ-CE1 3.84Å; F348-Y607 HydrophobicContact CZ-CE1 3.84Å; K352-Y607 HydrophobicContact CB-CD2 3.93Å; K352-Y607 HydrophobicContact CB-CE1 4.48Å; K352-Y607 HydrophobicContact CB-CE2 3.91Å; K352-Y607 HydrophobicContact CB-CG 4.23Å; K352-Y607 HydrophobicContact CD-CD1 4.28Å; K352-Y607 HydrophobicContact CD-CD2 4.34Å; K352-Y607 HydrophobicContact CD-CG 3.91Å; K352-Y607 HydrophobicContact CG-CD1 4.39Å; K352-Y607 HydrophobicContact CG-CD2 3.69Å; K352-Y607 HydrophobicContact CG-CE2 4.2Å; K352-Y607 HydrophobicContact CG-CG 3.78Å; T355-Y607 HydrophobicContact CG2-CE2 4.45Å; P555-Y607 HydrophobicContact CG-CE1 4.32Å
608P94.2Very high91.9Very high35 Ų3533.7 Ų33.723%0.22720%0.203CC..PPolyproline II helixtrans-68.4141.4-172.726.5-33.7000112Y554 V598 K600 L606Y554-P608 HydrophobicContact CD1-CB 4.02Å; Y554-P608 HydrophobicContact CE1-CB 3.75Å; V598-P608 WeakPolarHBondContact O-CA 3.15Å; K600-P608 HydrophobicContact CG-CB 3.73Å; K600-P608 HydrophobicContact CG-CG 4.04Å; L606-P608 WeakPolarHBondContact O-CD 3.35Å
609G94.8Very high91.9Very high0 Ų033.8 Ų33.80%020%0.203CC..EExtended strand (participates in β ladder)trans169.9165.6-179.200000113.2P555 V598P555-G609 WeakPolarHBondContact O-CA 3.43Å; V598-G609 PolarHBondContact N-O 3.2Å; V598-G609 PolarHBondContact O-N 3.26Å
610L96.6Very high92Very high0 Ų031.5 Ų31.50%019%0.188CC..EExtended strand (participates in β ladder)trans-101.7106.3169178.662.6000108.6P555 V556 V557 V574 A575 I595 V596 L597 L612P555-L610 PolarHBondContact O-N 2.87Å; V556-L610 WeakPolarHBondContact CA-O 3.48Å; V556-L610 HydrophobicContact CG1-CD2 4.16Å; V556-L610 HydrophobicContact CG1-CG 4.4Å; V556-L610 HydrophobicContact CG2-CB 4.25Å; V556-L610 HydrophobicContact CG2-CD2 4.22Å; V557-L610 PolarHBondContact N-O 3.26Å; V574-L610 HydrophobicContact CG1-CD2 4.18Å; A575-L610 HydrophobicContact CB-CD1 4.48Å; I595-L610 HydrophobicContact CG2-CD1 4.28Å; V596-L610 CarbonylContact O-C 3.56Å; V596-L610 WeakPolarHBondContact O-CA 3.15Å; L597-L610 HydrophobicContact CB-CD1 4.29Å; L597-L610 HydrophobicContact CD1-CB 4.45Å; L597-L610 HydrophobicContact CD1-CD1 4.49Å; L610-L612 HydrophobicContact CD1-CD2 4.4Å
611F96.4Very high92.3Very high1 Ų128 Ų280%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-105.8126.4-178.8-52.6-84.1000110.5Y189 F348 V557 V596 V598 F613 F637Y189-F611 HydrophobicContact CD2-CD1 4.37Å; Y189-F611 AromaticContact CE2-CD1 4Å; Y189-F611 HydrophobicContact CE2-CD1 4Å; Y189-F611 AromaticContact CE2-CE1 3.9Å; Y189-F611 HydrophobicContact CE2-CE1 3.9Å; Y189-F611 HydrophobicContact CE2-CG 4.42Å; Y189-F611 HydrophobicContact CE2-CZ 4.21Å; F348-F611 AromaticContact CZ-CE1 3.92Å; F348-F611 HydrophobicContact CZ-CE1 3.92Å; F348-F611 HydrophobicContact CZ-CZ 4.28Å; V557-F611 HydrophobicContact CB-CD1 3.91Å; V557-F611 HydrophobicContact CB-CE1 4.36Å; V557-F611 HydrophobicContact CG2-CD1 4.17Å; V557-F611 HydrophobicContact CG2-CE1 4.11Å; V596-F611 HydrophobicContact CB-CB 4.25Å; V596-F611 PolarHBondContact N-O 3.24Å; V596-F611 PolarHBondContact O-N 3.22Å; V598-F611 HydrophobicContact CB-CE2 4.44Å; V598-F611 HydrophobicContact CG2-CD2 4.1Å; V598-F611 HydrophobicContact CG2-CE2 3.92Å; F611-F613 HydrophobicContact CB-CD2 4.42Å; F611-F613 HydrophobicContact CB-CE2 3.57Å; F611-F613 HydrophobicContact CB-CZ 3.96Å; F611-F637 HydrophobicContact CD2-CE1 4.38Å
612L95.7Very high92.7Very high7 Ų724.7 Ų24.74%0.03715%0.153CC..EExtended strand (participates in β ladder)trans-116127.1179.2-57.6176.4000109.3L534 V557 L558 D559 L578 E594 I595 L610L534-L612 HydrophobicContact CD1-CD1 3.74Å; L534-L612 HydrophobicContact CD2-CD1 3.72Å; L534-L612 HydrophobicContact CG-CD1 4.31Å; V557-L612 PolarHBondContact O-N 3.09Å; L558-L612 HydrophobicContact CD1-CB 3.7Å; L558-L612 HydrophobicContact CD1-CD1 4.42Å; D559-L612 PolarHBondContact N-O 3.38Å; L578-L612 HydrophobicContact CD1-CD1 4.29Å; L578-L612 HydrophobicContact CD1-CD2 4.06Å; E594-L612 WeakPolarHBondContact O-CA 3.49Å; I595-L612 HydrophobicContact CB-CD2 4.2Å; I595-L612 HydrophobicContact CG1-CD2 4.02Å; I595-L612 HydrophobicContact CG2-CD2 3.91Å; L610-L612 HydrophobicContact CD1-CD2 4.4Å
613F94.9Very high93.3Very high5 Ų520.4 Ų20.42%0.02211%0.108CC..EExtended strand (participates in β ladder)trans-124.3129.1178.5-56-87.8000111.4R186 Y189 D559 T593 E594 V596 F611 R618 F637R186-F613 VanDerWaalsContact NH2-CE2 3.27Å; Y189-F613 HydrophobicContact CD2-CE1 4.47Å; Y189-F613 AromaticContact CD2-CZ 3.9Å; Y189-F613 HydrophobicContact CD2-CZ 3.9Å; Y189-F613 HydrophobicContact CG-CZ 4.41Å; D559-F613 VanDerWaalsContact OD1-CA 3.28Å; D559-F613 WeakPolarHBondContact OD1-CA 3.44Å; T593-F613 WeakPolarHBondContact CA-O 3.34Å; E594-F613 HydrophobicContact CB-CB 4.32Å; E594-F613 PolarHBondContact N-O 2.82Å; E594-F613 PolarHBondContact O-N 2.85Å; E594-F613 VanDerWaalsContact O-N 3.07Å; V596-F613 HydrophobicContact CG2-CD2 4.42Å; V596-F613 HydrophobicContact CG2-CE2 4.29Å; F611-F613 HydrophobicContact CB-CD2 4.42Å; F611-F613 HydrophobicContact CB-CE2 3.57Å; F611-F613 HydrophobicContact CB-CZ 3.96Å; F613-R618 PolarHBondContact O-NH1 2.99Å; F613-R618 VanDerWaalsContact O-NH1 3.07Å; F613-R618 PolarHBondContact O-NH2 2.98Å; F613-R618 VanDerWaalsContact O-NH2 3.13Å; F613-F637 AromaticContact CE2-CD1 3.92Å; F613-F637 HydrophobicContact CE2-CD1 3.92Å; F613-F637 HydrophobicContact CE2-CE1 4.39Å; F613-F637 HydrophobicContact CZ-CD1 4.36Å
614T93.1Very high93.6Very high8 Ų815 Ų155%0.0499%0.086CC..  trans-122.9-8.4177.677.20000112.9T527 L530 L558 D559 T593 R618T527-T614 HydrophobicContact CG2-CG2 3.92Å; T527-T614 WeakPolarHBondContact CG2-OG1 3.43Å; L530-T614 HydrophobicContact CD1-CG2 3.97Å; L558-T614 HydrophobicContact CD1-CG2 4.24Å; D559-T614 PolarHBondContact OD1-N 3.39Å; D559-T614 PolarHBondContact OD2-OG1 3.23Å; T593-T614 HydrophobicContact CG2-CG2 4.12Å; T614-R618 VanDerWaalsContact C-NH2 3.26Å; T614-R618 VanDerWaalsContact CA-NH2 3.32Å; T614-R618 PolarHBondContact O-NH2 3.02Å
615T90.7Very high94.1Very high25 Ų2511.6 Ų11.615%0.1536%0.063CC..  trans-63.6161.6-173.162.30000115.3R187 D559 R618R187-T615 HydrophobicContact CG-CG2 4.4Å; D559-T615 HydrophobicContact CB-CG2 4.17Å; D559-T615 WeakPolarHBondContact OD1-CG2 3.33Å; D559-T615 PolarHBondContact OD1-N 3.13Å; T615-R618 PolarHBondContact O-NE 3.43Å; T615-R618 PolarHBondContact O-NH2 3.12Å
616L91.6Very high94.2Very high11 Ų1113.4 Ų13.46%0.0587%0.07CC..THydrogen-bonded Turntrans-62167.8171.2-63.3171.1000113.1H219 T522 A523 T524 R618H219-L616 WeakPolarHBondContact NE2-CD1 3.15Å; T522-L616 WeakPolarHBondContact O-CD2 3.48Å; A523-L616 WeakPolarHBondContact O-CD2 3.39Å; T524-L616 HydrophobicContact CG2-CD1 3.87Å; T524-L616 HydrophobicContact CG2-CD2 4.31Å; T524-L616 HydrophobicContact CG2-CG 4.33Å; L616-R618 PolarHBondContact O-N 3.25Å
617C93.7Very high94.1Very high0 Ų016.9 Ų16.90%010%0.102CC..THydrogen-bonded Turntrans70.45.3171.7-610000116R187 V374 T376 V521R187-C617 PolarHBondContact NH2-SG 3.17Å; V374-C617 PolarHBondContact N-O 2.91Å; V374-C617 WeakPolarHBondContact O-CB 3.18Å; T376-C617 PolarHBondContact OG1-SG 3.44Å; V521-C617 PolarHBondContact O-N 2.87Å
618R94.9Very high94Very high5 Ų518.2 Ų18.22%0.01911%0.111CC..  trans-81.7146.1176.2-65.9-178.2-641256111.3V520 V521 W592 E594 F613 T614 T615 L616V520-R618 WeakPolarHBondContact CA-O 3.24Å; V521-R618 HydrophobicContact CG2-CB 4.37Å; V521-R618 PolarHBondContact N-O 2.87Å; W592-R618 PolarHBondContact O-NH1 3.31Å; W592-R618 PolarHBondContact O-NH2 3.02Å; E594-R618 IonicContact OE2-NH1 2.68Å; E594-R618 PolarHBondContact OE2-NH1 2.73Å; F613-R618 PolarHBondContact O-NH1 2.99Å; F613-R618 VanDerWaalsContact O-NH1 3.07Å; F613-R618 PolarHBondContact O-NH2 2.98Å; F613-R618 VanDerWaalsContact O-NH2 3.13Å; T614-R618 VanDerWaalsContact C-NH2 3.26Å; T614-R618 VanDerWaalsContact CA-NH2 3.32Å; T614-R618 PolarHBondContact O-NH2 3.02Å; T615-R618 PolarHBondContact O-NE 3.43Å; T615-R618 PolarHBondContact O-NH2 3.12Å; L616-R618 PolarHBondContact O-N 3.25Å
619M95.8Very high93.8Very high4 Ų419 Ų192%0.0213%0.125CC..EExtended strand (participates in β ladder)trans-85.1128.2170.7-69.4178.4-66.100108.8L369 V374 F496 E519 T636L369-M619 HydrophobicContact CB-CE 4.39Å; L369-M619 HydrophobicContact CD1-CE 4.25Å; L369-M619 HydrophobicContact CD2-CE 3.72Å; L369-M619 HydrophobicContact CG-CE 4.35Å; V374-M619 HydrophobicContact CG2-CE 4.13Å; V374-M619 HydrophobicContact CG2-CG 3.61Å; V374-M619 HydrophobicContact CG2-SD 3.6Å; V374-M619 VanDerWaalsContact CG2-SD 3.6Å; F496-M619 HydrophobicContact CD1-CB 3.87Å; F496-M619 HydrophobicContact CE1-CB 4.38Å; E519-M619 WeakPolarHBondContact O-CA 3.44Å; M619-T636 HydrophobicContact CB-CG2 4.04Å; M619-T636 HydrophobicContact CE-CG2 3.86Å
620M95Very high93.6Very high2 Ų224.3 Ų24.31%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-126.5149.1176.4-56.9-61.9-66.100108.6C518 E519 V521 W592 L633 I634 G635C518-M620 CarbonylContact C-O 3.59Å; C518-M620 WeakPolarHBondContact CA-O 3.44Å; E519-M620 PolarHBondContact N-O 2.83Å; E519-M620 PolarHBondContact O-N 3.01Å; V521-M620 HydrophobicContact CG2-CG 3.5Å; W592-M620 HydrophobicContact CB-CE 4.45Å; W592-M620 HydrophobicContact CB-CG 4.31Å; M620-L633 HydrophobicContact CB-CB 4.43Å; M620-L633 HydrophobicContact CE-CB 4.13Å; M620-L633 WeakPolarHBondContact CE-O 3.35Å; M620-I634 CarbonylContact C-O 3.45Å; M620-I634 VanDerWaalsContact CA-O 3.27Å; M620-I634 WeakPolarHBondContact CA-O 3.4Å; M620-I634 VanDerWaalsContact CE-C 3.49Å; M620-G635 VanDerWaalsContact SD-CA 3.52Å
621R94.9Very high93.4Very high2 Ų226.2 Ų26.21%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-135.8145.9173.670.7-177.6-168.396.5-10.5110.8G495 F496 L633 I634 Q639 E660G495-R621 WeakPolarHBondContact O-CD 3.49Å; F496-R621 HydrophobicContact CD1-CB 4.35Å; F496-R621 HydrophobicContact CD1-CG 4.42Å; F496-R621 HydrophobicContact CE1-CB 4.01Å; F496-R621 HydrophobicContact CE1-CG 3.78Å; F496-R621 HydrophobicContact CZ-CG 3.93Å; R621-L633 CarbonylContact O-C 3.46Å; R621-L633 WeakPolarHBondContact O-CA 3.49Å; R621-I634 HydrophobicContact CG-CD1 4.4Å; R621-I634 HydrophobicContact CG-CG1 3.77Å; R621-I634 PolarHBondContact N-O 2.89Å; R621-I634 PolarHBondContact O-N 3.43Å; R621-Q639 VanDerWaalsContact NH2-OE1 3.16Å; R621-E660 IonicContact CZ-OE1 3.82Å; R621-E660 VanDerWaalsContact CZ-OE1 3.25Å; R621-E660 IonicContact CZ-OE2 2.75Å; R621-E660 IonicContact NH1-OE1 2.76Å; R621-E660 PolarHBondContact NH1-OE1 3.06Å; R621-E660 IonicContact NH1-OE2 3.26Å; R621-E660 PolarHBondContact NH1-OE2 3.01Å; R621-E660 IonicContact NH2-OE1 3.62Å; R621-E660 PolarHBondContact NH2-OE1 3.16Å
622P94.7Very high93.3Very high7 Ų726.3 Ų26.35%0.04516%0.158CC..EExtended strand (participates in β ladder)trans-79137.6176.232.4-34.5000111.4S517 E632 L633 L661S517-P622 VanDerWaalsContact O-CD 3.24Å; S517-P622 WeakPolarHBondContact O-CD 3.38Å; P622-E632 CarbonylContact C-O 3.54Å; P622-E632 WeakPolarHBondContact CA-O 3.31Å; P622-L633 HydrophobicContact CB-CD2 4.05Å; P622-L661 HydrophobicContact CB-CD1 3.94Å; P622-L661 HydrophobicContact CG-CD1 3.71Å
623V94.3Very high93.2Very high0 Ų027.6 Ų27.60%017%0.165CC..EExtended strand (participates in β ladder)trans-134.5160.4169.5-680000109.3Q631 E632 I634 V644 H658V623-Q631 CarbonylContact O-C 3.59Å; V623-Q631 WeakPolarHBondContact O-CA 3.45Å; V623-E632 WeakPolarHBondContact CG2-O 3.27Å; V623-E632 PolarHBondContact N-O 3.04Å; V623-E632 PolarHBondContact O-N 2.76Å; V623-I634 HydrophobicContact CG1-CD1 3.75Å; V623-I634 HydrophobicContact CG1-CG1 4.09Å; V623-I634 HydrophobicContact CG2-CB 4.43Å; V623-I634 HydrophobicContact CG2-CD1 3.95Å; V623-I634 HydrophobicContact CG2-CG1 3.97Å; V623-I634 HydrophobicContact CG2-CG2 3.68Å; V623-V644 HydrophobicContact CG1-CG1 4.23Å; V623-H658 HydrophobicContact CB-CB 4.44Å; V623-H658 HydrophobicContact CG2-CB 4.18Å
624Q93.4Very high93.3Very high49 Ų4927.4 Ų27.423%0.22916%0.163CC..EExtended strand (participates in β ladder)trans-86121.9175.8-175.266.41200109.9G629 H658 Q659 L661Q624-G629 PolarHBondContact NE2-O 2.83Å; Q624-H658 CarbonylContact O-C 3.46Å; Q624-H658 WeakPolarHBondContact O-CA 3.33Å; Q624-H658 WeakPolarHBondContact O-CB 3.47Å; Q624-Q659 HydrophobicContact CB-CB 4.31Å; Q624-Q659 PolarHBondContact N-O 3.08Å; Q624-Q659 PolarHBondContact O-N 3.42Å; Q624-L661 HydrophobicContact CB-CD2 4.44Å
625N94Very high93.4Very high7 Ų727 Ų274%0.03716%0.161CC..EExtended strand (participates in β ladder)trans-82.6117.3173.3-176.6-54.5000109.4A627 L628 G629 K630 E632N625-A627 PolarHBondContact OD1-N 3.48Å; N625-A627 VanDerWaalsContact OD1-N 3.07Å; N625-L628 PolarHBondContact OD1-N 2.87Å; N625-G629 WeakPolarHBondContact O-CA 3.37Å; N625-G629 PolarHBondContact O-N 3.18Å; N625-K630 VanDerWaalsContact CB-O 3.31Å; N625-K630 WeakPolarHBondContact CB-O 3.43Å; N625-K630 PolarHBondContact N-O 2.78Å; N625-E632 HydrophobicContact CB-CB 4.22Å; N625-E632 PolarHBondContact ND2-OE2 2.95Å
626L93.2Very high93.6Very high65 Ų6526 Ų2634%0.3416%0.155SC..THydrogen-bonded Turntrans-71.8-31.8-173.4-65.4175.7000112.9I651 T657 Q659L626-I651 HydrophobicContact CD1-CD1 4.25Å; L626-I651 HydrophobicContact CD1-CG2 3.74Å; L626-I651 HydrophobicContact CD2-CD1 4.12Å; L626-T657 PolarHBondContact N-O 3.31Å; L626-Q659 HydrophobicContact CD2-CB 4Å; L626-Q659 HydrophobicContact CG-CB 4.49Å
627A91.5Very high93.8Very high95 Ų9525.5 Ų25.579%0.78515%0.152SC*.THydrogen-bonded Turntrans-71.3-31.7-17900000112.8N625N625-A627 PolarHBondContact OD1-N 3.48Å; N625-A627 VanDerWaalsContact OD1-N 3.07Å
628L91.4Very high93.8Very high55 Ų5525.6 Ų25.629%0.28815%0.153SC..THydrogen-bonded Turntrans-109-12.1-176.6-63.1175.8000113.9R580 V583 N625 K630R580-L628 HydrophobicContact CG-CD1 4.32Å; R580-L628 HydrophobicContact CG-CD2 4.41Å; V583-L628 HydrophobicContact CB-CD1 3.66Å; V583-L628 HydrophobicContact CG1-CB 4.3Å; V583-L628 HydrophobicContact CG1-CD1 3.61Å; V583-L628 HydrophobicContact CG2-CD1 4.24Å; N625-L628 PolarHBondContact OD1-N 2.87Å; L628-K630 PolarHBondContact O-N 2.75Å
629G89.7Confident93.8Very high51 Ų5126.4 Ų26.453%0.52616%0.157SC..THydrogen-bonded Turntrans64.124.6-17600000113.7Q624 N625Q624-G629 PolarHBondContact NE2-O 2.83Å; N625-G629 WeakPolarHBondContact O-CA 3.37Å; N625-G629 PolarHBondContact O-N 3.18Å
630K91Very high93.7Very high111 Ų11129.3 Ų29.348%0.48317%0.172SC..EExtended strand (participates in β ladder)trans-126.3157.7-178.7-73.1-169.5175.3-166.70111.9V583 N625 L628V583-K630 HydrophobicContact CG1-CB 3.69Å; V583-K630 HydrophobicContact CG1-CD 4.38Å; N625-K630 VanDerWaalsContact CB-O 3.31Å; N625-K630 WeakPolarHBondContact CB-O 3.43Å; N625-K630 PolarHBondContact N-O 2.78Å; L628-K630 PolarHBondContact O-N 2.75Å
631Q91.9Very high93.6Very high40 Ų4033.2 Ų33.219%0.18719%0.187CC..EExtended strand (participates in β ladder)trans-70.8135174.3-65.8-177.51.600111.4S4 V623 L661S4-Q631 PolarHBondContact O-NE2 3.48Å; S4-Q631 PolarHBondContact O-OE1 3.01Å; V623-Q631 CarbonylContact O-C 3.59Å; V623-Q631 WeakPolarHBondContact O-CA 3.45Å; Q631-L661 HydrophobicContact CG-CD2 4.15Å
632E93.9Very high93.5Very high4 Ų434.1 Ų34.12%0.01919%0.192CC..EExtended strand (participates in β ladder)trans-121136.6174.7-179.2171.5172.900110.2R579 K582 V583 P622 V623 N625 I634 H658R579-E632 VanDerWaalsContact CD-OE2 3.25Å; R579-E632 WeakPolarHBondContact CD-OE2 3.48Å; R579-E632 WeakPolarHBondContact CG-OE1 3.32Å; R579-E632 WeakPolarHBondContact CG-OE2 2.93Å; R579-E632 IonicContact NE-OE1 3.82Å; R579-E632 IonicContact NE-OE2 3.63Å; K582-E632 IonicContact NZ-OE1 2.88Å; K582-E632 PolarHBondContact NZ-OE1 2.85Å; V583-E632 HydrophobicContact CG2-CB 3.83Å; V583-E632 HydrophobicContact CG2-CG 3.82Å; P622-E632 CarbonylContact C-O 3.54Å; P622-E632 WeakPolarHBondContact CA-O 3.31Å; V623-E632 WeakPolarHBondContact CG2-O 3.27Å; V623-E632 PolarHBondContact N-O 3.04Å; V623-E632 PolarHBondContact O-N 2.76Å; N625-E632 HydrophobicContact CB-CB 4.22Å; N625-E632 PolarHBondContact ND2-OE2 2.95Å; E632-I634 HydrophobicContact CG-CG2 4.24Å; E632-H658 IonicContact OE2-NE2 2.85Å; E632-H658 PolarHBondContact OE2-NE2 2.93Å; E632-H658 VanDerWaalsContact OE2-NE2 3.16Å
633L94.3Very high93.6Very high34 Ų3437.9 Ų37.918%0.17821%0.212CC..EExtended strand (participates in β ladder)trans-84.9118.5170.9-69.9174.9000110K582 W592 M620 R621 P622K582-L633 WeakPolarHBondContact CE-O 3.4Å; K582-L633 PolarHBondContact NZ-O 2.99Å; W592-L633 HydrophobicContact CB-CD1 4.41Å; M620-L633 HydrophobicContact CB-CB 4.43Å; M620-L633 HydrophobicContact CE-CB 4.13Å; M620-L633 WeakPolarHBondContact CE-O 3.35Å; R621-L633 CarbonylContact O-C 3.46Å; R621-L633 WeakPolarHBondContact O-CA 3.49Å; P622-L633 HydrophobicContact CB-CD2 4.05Å
634I95.6Very high93.6Very high0 Ų039.4 Ų39.40%022%0.221CC..EExtended strand (participates in β ladder)trans-107.7143.5175.264.9168.9000112.7M620 R621 V623 E632 E638 L642 V644M620-I634 CarbonylContact C-O 3.45Å; M620-I634 VanDerWaalsContact CA-O 3.27Å; M620-I634 WeakPolarHBondContact CA-O 3.4Å; M620-I634 VanDerWaalsContact CE-C 3.49Å; R621-I634 HydrophobicContact CG-CD1 4.4Å; R621-I634 HydrophobicContact CG-CG1 3.77Å; R621-I634 PolarHBondContact N-O 2.89Å; R621-I634 PolarHBondContact O-N 3.43Å; V623-I634 HydrophobicContact CG1-CD1 3.75Å; V623-I634 HydrophobicContact CG1-CG1 4.09Å; V623-I634 HydrophobicContact CG2-CB 4.43Å; V623-I634 HydrophobicContact CG2-CD1 3.95Å; V623-I634 HydrophobicContact CG2-CG1 3.97Å; V623-I634 HydrophobicContact CG2-CG2 3.68Å; E632-I634 HydrophobicContact CG-CG2 4.24Å; I634-E638 WeakPolarHBondContact CA-OE1 3.45Å; I634-E638 HydrophobicContact CB-CG 4.07Å; I634-L642 HydrophobicContact CB-CD1 4.38Å; I634-L642 HydrophobicContact CD1-CD1 4.47Å; I634-L642 HydrophobicContact CG2-CD1 3.83Å; I634-V644 HydrophobicContact CD1-CG2 4.41Å
635G95.4Very high93.6Very high0 Ų037.4 Ų37.40%021%0.214CC..EExtended strand (participates in β ladder)trans-96.2174.2178.500000114F496 M620 F637 E638 Q639F496-G635 VanDerWaalsContact CZ-C 3.46Å; F496-G635 WeakPolarHBondContact CZ-O 3.22Å; M620-G635 VanDerWaalsContact SD-CA 3.52Å; G635-F637 PolarHBondContact O-N 3.49Å; G635-E638 PolarHBondContact N-OE1 2.66Å; G635-Q639 PolarHBondContact O-N 2.86Å
636T95.6Very high93.6Very high4 Ų439.8 Ų39.83%0.02523%0.226CC..THydrogen-bonded Turntrans-69.2-28.5-172.156.10000114.4R186 L369 F496 E594 M619 L640R186-T636 PolarHBondContact NH1-OG1 3.04Å; L369-T636 HydrophobicContact CB-CG2 4.17Å; L369-T636 PolarHBondContact O-OG1 3.45Å; L369-T636 VanDerWaalsContact O-OG1 3.06Å; F496-T636 HydrophobicContact CD1-CG2 3.98Å; F496-T636 HydrophobicContact CD2-CG2 3.91Å; F496-T636 HydrophobicContact CE1-CG2 3.97Å; F496-T636 HydrophobicContact CE2-CG2 3.89Å; F496-T636 HydrophobicContact CG-CG2 3.95Å; F496-T636 HydrophobicContact CZ-CG2 3.94Å; E594-T636 PolarHBondContact OE1-N 2.83Å; M619-T636 HydrophobicContact CB-CG2 4.04Å; M619-T636 HydrophobicContact CE-CG2 3.86Å; T636-L640 WeakPolarHBondContact O-CD1 3.47Å
637F95.4Very high93.5Very high0 Ų040.5 Ų40.50%023%0.23CC..THydrogen-bonded Turntrans-89.3-41-178.3-169.3-177.8000111.3Y189 M370 E594 V596 V598 L606 F611 F613 G635 Q639 L640 Y641Y189-F637 AromaticContact CE2-CE1 3.93Å; Y189-F637 HydrophobicContact CE2-CE1 3.93Å; Y189-F637 AromaticContact CZ-CE1 3.92Å; M370-F637 HydrophobicContact CE-CD2 4.05Å; M370-F637 HydrophobicContact CE-CE1 4.02Å; M370-F637 HydrophobicContact CE-CE2 3.44Å; M370-F637 VanDerWaalsContact CE-CE2 3.44Å; M370-F637 HydrophobicContact CE-CZ 3.44Å; M370-F637 VanDerWaalsContact CE-CZ 3.44Å; M370-F637 HydrophobicContact CG-CB 4.12Å; M370-F637 HydrophobicContact CG-CD1 4.24Å; M370-F637 HydrophobicContact CG-CD2 3.5Å; M370-F637 HydrophobicContact CG-CE2 3.92Å; M370-F637 HydrophobicContact CG-CG 3.71Å; M370-F637 HydrophobicContact CG-CZ 4.45Å; M370-F637 HydrophobicContact SD-CD2 3.61Å; M370-F637 HydrophobicContact SD-CE2 3.47Å; M370-F637 WeakPolarHBondContact SD-CE2 3.4Å; M370-F637 HydrophobicContact SD-CG 4.37Å; M370-F637 HydrophobicContact SD-CZ 4.11Å; E594-F637 WeakPolarHBondContact OE1-CA 3.29Å; E594-F637 WeakPolarHBondContact OE1-CB 3.4Å; E594-F637 PolarHBondContact OE1-N 3.08Å; V596-F637 HydrophobicContact CB-CD1 4.45Å; V596-F637 HydrophobicContact CB-CG 4.49Å; V596-F637 HydrophobicContact CG1-CD1 4.13Å; V596-F637 HydrophobicContact CG1-CD2 3.76Å; V596-F637 HydrophobicContact CG1-CE1 4.18Å; V596-F637 HydrophobicContact CG1-CE2 3.81Å; V596-F637 HydrophobicContact CG1-CG 3.91Å; V596-F637 HydrophobicContact CG1-CZ 4.02Å; V596-F637 HydrophobicContact CG2-CB 3.96Å; V596-F637 HydrophobicContact CG2-CD1 3.97Å; V596-F637 HydrophobicContact CG2-CG 3.89Å; V598-F637 HydrophobicContact CG2-CE2 4.22Å; V598-F637 HydrophobicContact CG2-CZ 4.05Å; L606-F637 HydrophobicContact CD1-CE2 4.24Å; F611-F637 HydrophobicContact CD2-CE1 4.38Å; F613-F637 AromaticContact CE2-CD1 3.92Å; F613-F637 HydrophobicContact CE2-CD1 3.92Å; F613-F637 HydrophobicContact CE2-CE1 4.39Å; F613-F637 HydrophobicContact CZ-CD1 4.36Å; G635-F637 PolarHBondContact O-N 3.49Å; F637-Q639 PolarHBondContact O-N 2.88Å; F637-L640 WeakPolarHBondContact O-CD1 3.4Å; F637-L640 PolarHBondContact O-N 3.32Å; F637-Y641 HydrophobicContact CE2-CE2 4.13Å
638E94.1Very high93.3Very high2 Ų243.4 Ų43.41%0.00923%0.227CC..G310 helixtrans-64.2-30.5178.169.9-168.7148.700112.5K582 E594 I595 V596 I634 G635 L640 Y641 L642K582-E638 IonicContact NZ-OE1 2.83Å; K582-E638 IonicContact NZ-OE2 2.63Å; E594-E638 HydrophobicContact CG-CB 4.04Å; E594-E638 HydrophobicContact CG-CG 3.91Å; E594-E638 PolarHBondContact OE1-N 2.89Å; I595-E638 PolarHBondContact N-OE2 3.18Å; V596-E638 HydrophobicContact CG2-CB 4.02Å; I634-E638 WeakPolarHBondContact CA-OE1 3.45Å; I634-E638 HydrophobicContact CB-CG 4.07Å; G635-E638 PolarHBondContact N-OE1 2.66Å; E638-L640 PolarHBondContact O-N 2.99Å; E638-L640 VanDerWaalsContact O-N 3.12Å; E638-Y641 PolarHBondContact O-N 2.9Å; E638-Y641 VanDerWaalsContact O-N 3.09Å; E638-L642 HydrophobicContact CB-CD1 4.41Å; E638-L642 HydrophobicContact CG-CD1 4.07Å; E638-L642 WeakPolarHBondContact O-CG 3.45Å; E638-L642 PolarHBondContact O-N 3.4Å
639Q94.9Very high93.2Very high23 Ų2345.6 Ų45.611%0.10725%0.253CS..G310 helixtrans-56.3-29.1177.6179.9165.7-52.200114.1W494 F496 R621 G635 F637 Y641 L642W494-Q639 PolarHBondContact O-NE2 2.79Å; W494-Q639 PolarHBondContact O-OE1 2.93Å; F496-Q639 HydrophobicContact CE2-CB 4.37Å; R621-Q639 VanDerWaalsContact NH2-OE1 3.16Å; G635-Q639 PolarHBondContact O-N 2.86Å; F637-Q639 PolarHBondContact O-N 2.88Å; Q639-Y641 PolarHBondContact O-N 2.95Å; Q639-L642 PolarHBondContact O-N 2.88Å
640L93.4Very high93.3Very high65 Ų6547.8 Ų47.834%0.3425%0.25SC..G310 helixtrans-63.1-25-179.8-79.479.8000112.7M370 E492 L606 T636 F637 E638M370-L640 HydrophobicContact CB-CD1 4.17Å; M370-L640 HydrophobicContact SD-CD2 4Å; E492-L640 HydrophobicContact CB-CD1 4.44Å; E492-L640 HydrophobicContact CG-CD1 4.08Å; E492-L640 HydrophobicContact CG-CD2 4.34Å; E492-L640 HydrophobicContact CG-CG 4.11Å; L606-L640 HydrophobicContact CD1-CD2 4.49Å; T636-L640 WeakPolarHBondContact O-CD1 3.47Å; F637-L640 WeakPolarHBondContact O-CD1 3.4Å; F637-L640 PolarHBondContact O-N 3.32Å; E638-L640 PolarHBondContact O-N 2.99Å; E638-L640 VanDerWaalsContact O-N 3.12Å
641Y92.9Very high93.3Very high83 Ų8344.7 Ų44.733%0.32524%0.238SC..G310 helixtrans-114.67.2-175.1-60.4-76000112.9V596 V598 P599 L606 F637 E638 Q639V596-Y641 HydrophobicContact CG1-CD2 4.23Å; V596-Y641 HydrophobicContact CG1-CE2 4.4Å; V598-Y641 WeakPolarHBondContact CG1-OH 3.35Å; V598-Y641 HydrophobicContact CG2-CE2 3.83Å; P599-Y641 HydrophobicContact CG-CD1 4.36Å; P599-Y641 HydrophobicContact CG-CE1 4.24Å; L606-Y641 WeakPolarHBondContact CD1-OH 3.38Å; F637-Y641 HydrophobicContact CE2-CE2 4.13Å; E638-Y641 PolarHBondContact O-N 2.9Å; E638-Y641 VanDerWaalsContact O-N 3.09Å; Q639-Y641 PolarHBondContact O-N 2.95Å
642L93.7Very high93.4Very high22 Ų2248.4 Ų48.412%0.11526%0.255CS..  trans-106.3130177.6-69.6178.4000110.7I634 E638 Q639 V644I634-L642 HydrophobicContact CB-CD1 4.38Å; I634-L642 HydrophobicContact CD1-CD1 4.47Å; I634-L642 HydrophobicContact CG2-CD1 3.83Å; E638-L642 HydrophobicContact CB-CD1 4.41Å; E638-L642 HydrophobicContact CG-CD1 4.07Å; E638-L642 WeakPolarHBondContact O-CG 3.45Å; E638-L642 PolarHBondContact O-N 3.4Å; Q639-L642 PolarHBondContact O-N 2.88Å; L642-V644 HydrophobicContact CB-CG2 4.31Å; L642-V644 PolarHBondContact O-N 3.18Å
643N95.2Very high93.2Very high85 Ų8554.2 Ų54.246%0.45529%0.293SS..  trans-87.6108.5171.2-61.2-31.9000109.2V655 T657 H658N643-V655 WeakPolarHBondContact CB-O 3.38Å; N643-V655 PolarHBondContact ND2-O 3.32Å; N643-T657 PolarHBondContact O-N 2.98Å; N643-T657 PolarHBondContact O-OG1 2.95Å; N643-T657 VanDerWaalsContact O-OG1 3.12Å; N643-H658 PolarHBondContact O-N 3.4Å
644V95Very high92.8Very high32 Ų3256.9 Ų56.919%0.19433%0.329CS..EExtended strand (participates in β ladder)trans-112.7113.1179.4-171.90000109.1V623 I634 L642 H658 E660V623-V644 HydrophobicContact CG1-CG1 4.23Å; I634-V644 HydrophobicContact CD1-CG2 4.41Å; L642-V644 HydrophobicContact CB-CG2 4.31Å; L642-V644 PolarHBondContact O-N 3.18Å; V644-H658 CarbonylContact C-O 3.53Å; V644-H658 WeakPolarHBondContact CA-O 3.29Å; V644-H658 HydrophobicContact CB-CB 4.34Å; V644-H658 HydrophobicContact CG1-CB 4.1Å; V644-H658 HydrophobicContact CG2-CB 3.92Å; V644-E660 HydrophobicContact CG1-CG 4Å
645G94.3Very high92.6Very high7 Ų760.1 Ų60.17%0.07235%0.349CS..EExtended strand (participates in β ladder)trans-73143.9174.200000111.7H658 Q659 E660G645-H658 PolarHBondContact N-O 3.33Å; G645-Q659 CarbonylContact O-C 3.54Å; G645-Q659 WeakPolarHBondContact O-CA 3.14Å; G645-E660 PolarHBondContact O-N 3.45Å
646I93.1Very high92.5Very high58 Ų5861.3 Ų61.330%0.29736%0.357SS..SBendtrans-86.8-54.3-179.2-56172.4000109.7W494 E650 E660 P663W494-I646 HydrophobicContact CH2-CD1 3.96Å; W494-I646 HydrophobicContact CZ2-CD1 3.88Å; W494-I646 HydrophobicContact CZ2-CG1 4.17Å; I646-E650 WeakPolarHBondContact CB-OE2 3.46Å; I646-E660 HydrophobicContact CG1-CG 4.46Å; I646-P663 HydrophobicContact CG2-CB 4.17Å
647L91.1Very high92.4Very high80 Ų8063.9 Ų63.942%0.41937%0.373SS..SBendtrans-102.8154.4176-64.2170.8000111.1A649 E650 P663L647-A649 PolarHBondContact O-N 3.04Å; L647-E650 HydrophobicContact CB-CG 4.06Å; L647-E650 PolarHBondContact N-OE2 3.05Å; L647-E650 VanDerWaalsContact N-OE2 3.07Å; L647-E650 PolarHBondContact O-N 3.17Å; L647-E650 VanDerWaalsContact O-N 3.09Å; L647-P663 HydrophobicContact CD2-CG 3.59Å
648E88.3Confident92.4Very high155 Ų15564 Ų6472%0.72437%0.373SS*.G310 helixtrans-60.6-36.2176.1-171174.6-178.200112E650 I651E648-E650 PolarHBondContact O-N 3Å; E648-I651 HydrophobicContact CG-CD1 4.32Å; E648-I651 WeakPolarHBondContact O-CB 3.49Å; E648-I651 WeakPolarHBondContact O-CG1 3.44Å; E648-I651 PolarHBondContact O-N 2.83Å
649A89.1Confident92.4Very high101 Ų10165.8 Ų65.884%0.83538%0.382SS*.G310 helixtrans-67.1-16.9177.300000114.1L647L647-A649 PolarHBondContact O-N 3.04Å
650E90.1Very high92.4Very high98 Ų9865 Ų6546%0.45838%0.378SS..G310 helixtrans-96.12.2-179.6-62.5170.1164.200112.3I646 L647 E648 E652I646-E650 WeakPolarHBondContact CB-OE2 3.46Å; L647-E650 HydrophobicContact CB-CG 4.06Å; L647-E650 PolarHBondContact N-OE2 3.05Å; L647-E650 VanDerWaalsContact N-OE2 3.07Å; L647-E650 PolarHBondContact O-N 3.17Å; L647-E650 VanDerWaalsContact O-N 3.09Å; E648-E650 PolarHBondContact O-N 3Å; E650-E652 PolarHBondContact O-N 3.16Å
651I93Very high92.3Very high45 Ų4563.4 Ų63.423%0.23137%0.37CS..  trans-77.4113.6-178.2-61.5175.7000109.6L626 E648 P653 Q659L626-I651 HydrophobicContact CD1-CD1 4.25Å; L626-I651 HydrophobicContact CD1-CG2 3.74Å; L626-I651 HydrophobicContact CD2-CD1 4.12Å; E648-I651 HydrophobicContact CG-CD1 4.32Å; E648-I651 WeakPolarHBondContact O-CB 3.49Å; E648-I651 WeakPolarHBondContact O-CG1 3.44Å; E648-I651 PolarHBondContact O-N 2.83Å; I651-P653 WeakPolarHBondContact O-CD 3.35Å; I651-Q659 HydrophobicContact CD1-CB 4.23Å; I651-Q659 HydrophobicContact CD1-CG 4Å
652E93.4Very high92.2Very high119 Ų11961.7 Ų61.756%0.55636%0.364SS*.  trans-90.5118.3172.5-68.7-176.5178.800111.3E650 G654 V655 S656E650-E652 PolarHBondContact O-N 3.16Å; E652-G654 PolarHBondContact O-N 2.88Å; E652-V655 HydrophobicContact CB-CB 4.01Å; E652-V655 HydrophobicContact CB-CG2 4.37Å; E652-V655 PolarHBondContact O-N 2.8Å; E652-V655 VanDerWaalsContact O-N 3.16Å; E652-S656 PolarHBondContact O-N 3.48Å
653P89.3Confident92Very high126 Ų12662.3 Ų62.382%0.81837%0.369SS*.THydrogen-bonded Turntrans-58.1129.2178-24.634000112.3I651 V655I651-P653 WeakPolarHBondContact O-CD 3.35Å; P653-V655 VanDerWaalsContact C-N 3.25Å; P653-V655 PolarHBondContact O-N 3.34Å
654G86.2Confident91.9Very high90 Ų9058.7 Ų58.793%0.92835%0.349SS*.THydrogen-bonded Turntrans82.5-10.518000000115.2E652E652-G654 PolarHBondContact O-N 2.88Å
655V91.5Very high91.7Very high68 Ų6857.5 Ų57.541%0.41234%0.343SS..THydrogen-bonded Turntrans-107.5-52.8175.8-179.90000110.7N643 E652 P653N643-V655 WeakPolarHBondContact CB-O 3.38Å; N643-V655 PolarHBondContact ND2-O 3.32Å; E652-V655 HydrophobicContact CB-CB 4.01Å; E652-V655 HydrophobicContact CB-CG2 4.37Å; E652-V655 PolarHBondContact O-N 2.8Å; E652-V655 VanDerWaalsContact O-N 3.16Å; P653-V655 VanDerWaalsContact C-N 3.25Å; P653-V655 PolarHBondContact O-N 3.34Å
656S93.3Very high91.7Very high24 Ų2458.7 Ų58.717%0.16835%0.347CS..  trans-77124.2179.2-69.70000110.5E652E652-S656 PolarHBondContact O-N 3.48Å
657T93.3Very high91.9Very high59 Ų5956.1 Ų56.136%0.36233%0.334SS..  trans-100.7-28.7-178.853.10000112L626 N643L626-T657 PolarHBondContact N-O 3.31Å; N643-T657 PolarHBondContact O-N 2.98Å; N643-T657 PolarHBondContact O-OG1 2.95Å; N643-T657 VanDerWaalsContact O-OG1 3.12Å
658H94.9Very high92.2Very high2 Ų252.4 Ų52.41%0.00931%0.314CS..EExtended strand (participates in β ladder)trans-135166.9-176.7-59.679.1000110.6V623 Q624 E632 N643 V644 G645V623-H658 HydrophobicContact CB-CB 4.44Å; V623-H658 HydrophobicContact CG2-CB 4.18Å; Q624-H658 CarbonylContact O-C 3.46Å; Q624-H658 WeakPolarHBondContact O-CA 3.33Å; Q624-H658 WeakPolarHBondContact O-CB 3.47Å; E632-H658 IonicContact OE2-NE2 2.85Å; E632-H658 PolarHBondContact OE2-NE2 2.93Å; E632-H658 VanDerWaalsContact OE2-NE2 3.16Å; N643-H658 PolarHBondContact O-N 3.4Å; V644-H658 CarbonylContact C-O 3.53Å; V644-H658 WeakPolarHBondContact CA-O 3.29Å; V644-H658 HydrophobicContact CB-CB 4.34Å; V644-H658 HydrophobicContact CG1-CB 4.1Å; V644-H658 HydrophobicContact CG2-CB 3.92Å; G645-H658 PolarHBondContact N-O 3.33Å
659Q94.7Very high92.5Very high40 Ų4045.2 Ų45.219%0.18728%0.281CS..EExtended strand (participates in β ladder)trans-132.8144.5173.8-175.4-171.35.200110.3Q624 L626 G645 I651Q624-Q659 HydrophobicContact CB-CB 4.31Å; Q624-Q659 PolarHBondContact N-O 3.08Å; Q624-Q659 PolarHBondContact O-N 3.42Å; L626-Q659 HydrophobicContact CD2-CB 4Å; L626-Q659 HydrophobicContact CG-CB 4.49Å; G645-Q659 CarbonylContact O-C 3.54Å; G645-Q659 WeakPolarHBondContact O-CA 3.14Å; I651-Q659 HydrophobicContact CD1-CB 4.23Å; I651-Q659 HydrophobicContact CD1-CG 4Å
660E94.7Very high92.9Very high7 Ų740.8 Ų40.83%0.03324%0.243CC..  trans-62.8146.7170.3-69.4-63.1169.400111.3W494 R621 V644 G645 I646W494-E660 PolarHBondContact NE1-OE1 3.33Å; R621-E660 IonicContact CZ-OE1 3.82Å; R621-E660 VanDerWaalsContact CZ-OE1 3.25Å; R621-E660 IonicContact CZ-OE2 2.75Å; R621-E660 IonicContact NH1-OE1 2.76Å; R621-E660 PolarHBondContact NH1-OE1 3.06Å; R621-E660 IonicContact NH1-OE2 3.26Å; R621-E660 PolarHBondContact NH1-OE2 3.01Å; R621-E660 IonicContact NH2-OE1 3.62Å; R621-E660 PolarHBondContact NH2-OE1 3.16Å; V644-E660 HydrophobicContact CG1-CG 4Å; G645-E660 PolarHBondContact O-N 3.45Å; I646-E660 HydrophobicContact CG1-CG 4.46Å
661L90.8Very high93.2Very high31 Ų3136.1 Ų36.116%0.16222%0.222CC..SBendtrans-66.9-42.3175.4-61-178.6000111.4W7 P622 Q624 Q631W7-L661 HydrophobicContact CB-CD1 3.78Å; W7-L661 HydrophobicContact CG-CD1 3.88Å; P622-L661 HydrophobicContact CB-CD1 3.94Å; P622-L661 HydrophobicContact CG-CD1 3.71Å; Q624-L661 HydrophobicContact CB-CD2 4.44Å; Q631-L661 HydrophobicContact CG-CD2 4.15Å
662F90.8Very high93.3Very high47 Ų4734.1 Ų34.121%0.20621%0.211CC..  trans-147.2148.7178.8-46.9-73.7000109.6W7 L10 H664 S665W7-F662 HydrophobicContact CB-CE2 4.24Å; W7-F662 HydrophobicContact CE3-CE2 4.14Å; W7-F662 WeakPolarHBondContact O-CZ 3.24Å; L10-F662 HydrophobicContact CD1-CD1 4.45Å; L10-F662 HydrophobicContact CD1-CD2 4.29Å; L10-F662 HydrophobicContact CD1-CE1 3.65Å; L10-F662 HydrophobicContact CD1-CE2 3.45Å; L10-F662 VanDerWaalsContact CD1-CE2 3.45Å; L10-F662 HydrophobicContact CD1-CZ 3.1Å; L10-F662 HydrophobicContact CG-CZ 4.27Å; F662-H664 AromaticContact CG-NE2 3.98Å; F662-H664 PolarHBondContact O-N 3.14Å; F662-S665 PolarHBondContact N-OG 3.45Å; F662-S665 WeakPolarHBondContact O-CB 3.24Å; F662-S665 PolarHBondContact O-N 3.4Å; F662-S665 PolarHBondContact O-OG 3.24Å
663P90.4Very high93.4Very high35 Ų3529.1 Ų29.123%0.22719%0.188CC..G310 helixtrans-58.1-34.6175.9-26.936.4000113.6I646 L647 S665 F949I646-P663 HydrophobicContact CG2-CB 4.17Å; L647-P663 HydrophobicContact CD2-CG 3.59Å; P663-S665 VanDerWaalsContact C-N 3.26Å; P663-S665 PolarHBondContact O-N 2.65Å; P663-F949 HydrophobicContact CB-CB 4.11Å; P663-F949 HydrophobicContact CB-CD2 3.8Å; P663-F949 HydrophobicContact CB-CG 4.18Å
664H92.5Very high93.7Very high8 Ų823.3 Ų23.34%0.03715%0.15CC..G310 helixtrans-82.27.2178.76680.8000114.4F662 M666 L667 N672 Y725 T947F662-H664 AromaticContact CG-NE2 3.98Å; F662-H664 PolarHBondContact O-N 3.14Å; H664-M666 PolarHBondContact O-N 3.45Å; H664-L667 HydrophobicContact CB-CD1 4.26Å; H664-L667 WeakPolarHBondContact O-CB 3.49Å; H664-L667 PolarHBondContact O-N 2.9Å; H664-N672 PolarHBondContact ND1-ND2 3.08Å; H664-Y725 PolarHBondContact CE1-OH 3.23Å; H664-Y725 AromaticContact NE2-CE1 3.95Å; H664-Y725 AromaticContact NE2-CZ 3.55Å; H664-Y725 PolarHBondContact NE2-OH 2.82Å; H664-T947 VanDerWaalsContact CD2-CG2 3.45Å; H664-T947 WeakPolarHBondContact CD2-CG2 3.23Å
665S91.9Very high94.2Very high8 Ų819 Ų196%0.05611%0.106CC..G310 helixtrans-58.7-20.6179.5-61.80000113.7T515 F662 P663 L667T515-S665 WeakPolarHBondContact CB-O 3.39Å; F662-S665 PolarHBondContact N-OG 3.45Å; F662-S665 WeakPolarHBondContact O-CB 3.24Å; F662-S665 PolarHBondContact O-N 3.4Å; F662-S665 PolarHBondContact O-OG 3.24Å; P663-S665 VanDerWaalsContact C-N 3.26Å; P663-S665 PolarHBondContact O-N 2.65Å; S665-L667 PolarHBondContact O-N 3.31Å
666M94.5Very high94.5Very high31 Ų3115.8 Ų15.815%0.1539%0.086CC..G310 helixtrans-70.5-12.8173.563.5159.9171.800114.3W494 P499 T515 H664 F949W494-M666 HydrophobicContact CD2-CB 4.21Å; W494-M666 HydrophobicContact CE3-CB 4.16Å; W494-M666 HydrophobicContact CE3-SD 4.13Å; W494-M666 HydrophobicContact CH2-CB 4.17Å; W494-M666 HydrophobicContact CH2-CE 4.42Å; W494-M666 HydrophobicContact CH2-CG 4.09Å; W494-M666 HydrophobicContact CH2-SD 3.63Å; W494-M666 HydrophobicContact CZ2-CB 4.22Å; W494-M666 HydrophobicContact CZ2-CG 4.47Å; W494-M666 HydrophobicContact CZ3-CB 4.14Å; W494-M666 HydrophobicContact CZ3-CG 4.21Å; W494-M666 HydrophobicContact CZ3-SD 3.38Å; W494-M666 WeakPolarHBondContact CZ3-SD 3.43Å; P499-M666 WeakPolarHBondContact CD-O 3.22Å; P499-M666 HydrophobicContact CG-SD 4.18Å; T515-M666 VanDerWaalsContact CG2-O 3.25Å; T515-M666 WeakPolarHBondContact CG2-O 3.32Å; H664-M666 PolarHBondContact O-N 3.45Å; M666-F949 HydrophobicContact CE-CE2 3.71Å; M666-F949 HydrophobicContact CE-CZ 3.46Å; M666-F949 VanDerWaalsContact CE-CZ 3.46Å
667L96.9Very high94.6Very high5 Ų515.1 Ų15.13%0.0268%0.081CC..SBendtrans-93.1149.9-175.2-62.8-176.7000112.3V500 T515 A516 H664 S665 A671 N672 P948V500-L667 HydrophobicContact CG2-CD2 4.02Å; T515-L667 WeakPolarHBondContact CA-O 3.47Å; A516-L667 PolarHBondContact N-O 3.01Å; H664-L667 HydrophobicContact CB-CD1 4.26Å; H664-L667 WeakPolarHBondContact O-CB 3.49Å; H664-L667 PolarHBondContact O-N 2.9Å; S665-L667 PolarHBondContact O-N 3.31Å; L667-A671 HydrophobicContact CB-CB 4.08Å; L667-A671 HydrophobicContact CD2-CB 4.23Å; L667-N672 WeakPolarHBondContact CB-OD1 3.18Å; L667-N672 WeakPolarHBondContact CD1-OD1 3.26Å; L667-P948 HydrophobicContact CD1-CG 4.14Å
668S96.8Very high94.7Very high2 Ų215 Ų151%0.0148%0.078CC..  trans-74.2163.7168.770.60000111.2C498 H501 M514 V670 A671 N672C498-S668 PolarHBondContact SG-N 3.01Å; H501-S668 VanDerWaalsContact CB-OG 3.3Å; H501-S668 WeakPolarHBondContact CB-OG 3.16Å; H501-S668 PolarHBondContact ND1-OG 3.11Å; M514-S668 WeakPolarHBondContact O-CB 3.3Å; S668-V670 VanDerWaalsContact C-N 3.28Å; S668-V670 PolarHBondContact O-N 3.01Å; S668-A671 PolarHBondContact O-N 2.94Å; S668-A671 WeakPolarHBondContact OG-CB 3.22Å; S668-A671 PolarHBondContact OG-N 3.19Å; S668-N672 PolarHBondContact O-N 2.8Å
669V95Very high94.8Very high3 Ų318 Ų182%0.0189%0.092CC..THydrogen-bonded Turntrans-46.7-47.91731800000112.9L38 L466 A516 N672 F673 Y730L38-V669 HydrophobicContact CD2-CG2 3.65Å; L466-V669 HydrophobicContact CD1-CB 4.37Å; L466-V669 HydrophobicContact CD1-CG1 4.01Å; A516-V669 HydrophobicContact CB-CG2 4.07Å; V669-N672 PolarHBondContact O-N 2.84Å; V669-F673 HydrophobicContact CG1-CE1 4.36Å; V669-F673 HydrophobicContact CG1-CE2 4Å; V669-F673 HydrophobicContact CG1-CZ 3.6Å; V669-Y730 HydrophobicContact CB-CE2 4.39Å; V669-Y730 HydrophobicContact CG1-CD2 3.88Å; V669-Y730 HydrophobicContact CG1-CE2 3.7Å; V669-Y730 HydrophobicContact CG1-CG 4.42Å; V669-Y730 HydrophobicContact CG2-CE2 4.16Å
670V96.2Very high94.8Very high8 Ų816.7 Ų16.75%0.0489%0.087CC..THydrogen-bonded Turntrans-71.3-37.2-179-179.30000112.3I463 L466 S668 N672 F673 C689I463-V670 HydrophobicContact CG2-CB 4.35Å; I463-V670 HydrophobicContact CG2-CG1 3.67Å; I463-V670 HydrophobicContact CG2-CG2 3.79Å; L466-V670 HydrophobicContact CD1-CG2 3.57Å; S668-V670 VanDerWaalsContact C-N 3.28Å; S668-V670 PolarHBondContact O-N 3.01Å; V670-N672 VanDerWaalsContact C-N 3.29Å; V670-N672 PolarHBondContact O-N 2.96Å; V670-F673 WeakPolarHBondContact O-CB 3.48Å; V670-F673 PolarHBondContact O-N 3.23Å; V670-C689 HydrophobicContact CG1-CB 4.38Å
671A96.9Very high95Very high1 Ų120.3 Ų20.31%0.00810%0.104CC..G310 helixtrans-68.1-32.9178.200000111.2V500 L667 S668 F673 I674V500-A671 HydrophobicContact CB-CB 4.39Å; V500-A671 HydrophobicContact CG1-CB 4.47Å; L667-A671 HydrophobicContact CB-CB 4.08Å; L667-A671 HydrophobicContact CD2-CB 4.23Å; S668-A671 PolarHBondContact O-N 2.94Å; S668-A671 WeakPolarHBondContact OG-CB 3.22Å; S668-A671 PolarHBondContact OG-N 3.19Å; A671-F673 PolarHBondContact O-N 2.96Å; A671-I674 WeakPolarHBondContact O-CB 3.12Å; A671-I674 WeakPolarHBondContact O-CG1 3.3Å; A671-I674 PolarHBondContact O-N 3.03Å
672N95.5Very high95.2Very high2 Ų222.4 Ų22.41%0.01112%0.121CC..G310 helixtrans-68.5-5.2172.8-83.5-18.5000114.5H664 L667 S668 V669 V670 P724 M726H664-N672 PolarHBondContact ND1-ND2 3.08Å; L667-N672 WeakPolarHBondContact CB-OD1 3.18Å; L667-N672 WeakPolarHBondContact CD1-OD1 3.26Å; S668-N672 PolarHBondContact O-N 2.8Å; V669-N672 PolarHBondContact O-N 2.84Å; V670-N672 VanDerWaalsContact C-N 3.29Å; V670-N672 PolarHBondContact O-N 2.96Å; N672-P724 VanDerWaalsContact O-CB 3.3Å; N672-P724 WeakPolarHBondContact O-CB 3.48Å; N672-P724 VanDerWaalsContact O-CG 3.22Å; N672-P724 WeakPolarHBondContact O-CG 3.32Å; N672-M726 HydrophobicContact CB-CB 4.21Å; N672-M726 HydrophobicContact CB-CG 4.43Å
673F95.3Very high95.4Very high15 Ų1522.3 Ų22.37%0.06613%0.125CC..G310 helixtrans-92.1-3.7172.9-58.1-28.8000113.2L466 V669 V670 A671 P675 Y727 Y730 L732L466-F673 HydrophobicContact CD2-CE2 4.33Å; V669-F673 HydrophobicContact CG1-CE1 4.36Å; V669-F673 HydrophobicContact CG1-CE2 4Å; V669-F673 HydrophobicContact CG1-CZ 3.6Å; V670-F673 WeakPolarHBondContact O-CB 3.48Å; V670-F673 PolarHBondContact O-N 3.23Å; A671-F673 PolarHBondContact O-N 2.96Å; F673-P675 WeakPolarHBondContact O-CD 3.3Å; F673-Y727 HydrophobicContact CD1-CD2 4.32Å; F673-Y730 AromaticContact CE1-CD2 3.95Å; F673-Y730 HydrophobicContact CE1-CD2 3.95Å; F673-Y730 HydrophobicContact CZ-CD2 4.01Å; F673-L732 HydrophobicContact CE1-CD2 4.4Å; F673-L732 HydrophobicContact CE1-CG 4.39Å; F673-L732 HydrophobicContact CE2-CD1 4.26Å; F673-L732 HydrophobicContact CE2-CD2 4.17Å; F673-L732 HydrophobicContact CE2-CG 4Å; F673-L732 HydrophobicContact CZ-CD2 3.68Å; F673-L732 HydrophobicContact CZ-CG 3.83Å
674I96.8Very high95.7Very high3 Ų322.3 Ų22.32%0.01512%0.12CC..SBendtrans-82.6116.1179.1-55.2179.1000108A671 N685 Q688A671-I674 WeakPolarHBondContact O-CB 3.12Å; A671-I674 WeakPolarHBondContact O-CG1 3.3Å; A671-I674 PolarHBondContact O-N 3.03Å; I674-N685 HydrophobicContact CD1-CB 4.07Å; I674-N685 WeakPolarHBondContact CD1-O 3.48Å; I674-Q688 HydrophobicContact CD1-CB 3.85Å; I674-Q688 HydrophobicContact CD1-CG 3.83Å; I674-Q688 HydrophobicContact CG1-CB 4.31Å; I674-Q688 HydrophobicContact CG1-CG 3.73Å
675P96.4Very high96Very high0 Ų022.4 Ų22.40%012%0.121CC..THydrogen-bonded Turntrans-66.8136.3176.828.9-32.9000110.1F673 S677 V722 R885 H886 E930 A946F673-P675 WeakPolarHBondContact O-CD 3.3Å; P675-S677 VanDerWaalsContact C-N 3.26Å; P675-S677 PolarHBondContact O-N 3.18Å; P675-S677 VanDerWaalsContact O-N 3.17Å; P675-V722 HydrophobicContact CB-CG1 4.37Å; P675-R885 HydrophobicContact CG-CB 4.21Å; P675-H886 PolarHBondContact O-CE1 2.81Å; P675-E930 WeakPolarHBondContact CG-OE2 3.35Å; P675-A946 HydrophobicContact CB-CB 3.43Å; P675-A946 VanDerWaalsContact CB-CB 3.43Å
676Y96.1Very high96.2Very high1 Ų123.7 Ų23.70%0.00413%0.127CC..THydrogen-bonded Turntrans49.745173.8-50.2-56.4000113.3D678 H679 N680 V722 I929 A933 D945 A946 F951 F961Y676-D678 WeakPolarHBondContact CA-OD1 3.34Å; Y676-D678 PolarHBondContact O-N 3.43Å; Y676-H679 PolarHBondContact O-N 3.05Å; Y676-N680 PolarHBondContact O-ND2 3.19Å; Y676-V722 HydrophobicContact CE2-CG1 3.75Å; Y676-I929 HydrophobicContact CD1-CG2 4.49Å; Y676-I929 HydrophobicContact CD2-CB 3.98Å; Y676-I929 HydrophobicContact CD2-CG2 3.64Å; Y676-I929 HydrophobicContact CE1-CG2 4.42Å; Y676-I929 HydrophobicContact CE2-CB 4.27Å; Y676-I929 HydrophobicContact CE2-CG2 3.53Å; Y676-I929 HydrophobicContact CG-CG2 4.13Å; Y676-A933 HydrophobicContact CE2-CB 4.49Å; Y676-D945 PolarHBondContact OH-O 2.88Å; Y676-A946 HydrophobicContact CD1-CB 4.31Å; Y676-A946 HydrophobicContact CD2-CB 4.29Å; Y676-A946 VanDerWaalsContact CE1-CA 3.5Å; Y676-A946 HydrophobicContact CE1-CB 3.91Å; Y676-A946 HydrophobicContact CE2-CB 3.91Å; Y676-A946 HydrophobicContact CG-CB 4.49Å; Y676-A946 PolarHBondContact N-O 3.2Å; Y676-F951 HydrophobicContact CD1-CD2 4.42Å; Y676-F951 HydrophobicContact CD1-CE2 4.47Å; Y676-F951 HydrophobicContact CE1-CD2 4.05Å; Y676-F951 AromaticContact CE1-CE2 3.68Å; Y676-F951 HydrophobicContact CE1-CE2 3.68Å; Y676-F961 WeakPolarHBondContact OH-CE2 3.32Å; Y676-F961 WeakPolarHBondContact OH-CZ 3.33Å
677S96.4Very high96.3Very high9 Ų926 Ų266%0.06313%0.134CC..G310 helixtrans-63.6-27-172.476.10000113.6P675 H679 N680 N685 P948P675-S677 VanDerWaalsContact C-N 3.26Å; P675-S677 PolarHBondContact O-N 3.18Å; P675-S677 VanDerWaalsContact O-N 3.17Å; S677-H679 PolarHBondContact O-N 2.91Å; S677-N680 PolarHBondContact O-N 3.02Å; S677-N685 PolarHBondContact O-ND2 3.5Å; S677-P948 WeakPolarHBondContact OG-CG 3.21Å
678D95.7Very high96.3Very high56 Ų5626.2 Ų26.230%0.29914%0.135SC..G310 helixtrans-63.2-22.8173.250.3-31000113.8Y676 P948 F949Y676-D678 WeakPolarHBondContact CA-OD1 3.34Å; Y676-D678 PolarHBondContact O-N 3.43Å; D678-P948 HydrophobicContact CB-CB 4.42Å; D678-F949 HydrophobicContact CB-CD1 4.04Å; D678-F949 HydrophobicContact CB-CE1 3.81Å; D678-F949 HydrophobicContact CB-CZ 4.4Å; D678-F949 WeakPolarHBondContact OD2-CA 3.19Å; D678-F949 PolarHBondContact OD2-N 3.02Å
679H95.8Very high96.3Very high66 Ų6626.2 Ų26.231%0.30614%0.135SC..G310 helixtrans-92.54.8175.5-65.8-83.5000114.1Y676 S677 I925 I929Y676-H679 PolarHBondContact O-N 3.05Å; S677-H679 PolarHBondContact O-N 2.91Å; H679-I925 PolarHBondContact O-N 3.48Å; H679-I929 HydrophobicContact CB-CD1 4.07Å
680N96.7Very high96.3Very high13 Ų1327.7 Ų27.77%0.0714%0.142CC..BIsolated β-bridgetrans-110.6148.8177.7-54.7-48.8000111Y676 S677 S682 N685 H886 G926Y676-N680 PolarHBondContact O-ND2 3.19Å; S677-N680 PolarHBondContact O-N 3.02Å; N680-S682 PolarHBondContact O-N 3.18Å; N680-N685 WeakPolarHBondContact CB-OD1 3.33Å; N680-N685 PolarHBondContact ND2-OD1 2.95Å; N680-H886 PolarHBondContact ND2-ND1 3.44Å; N680-H886 PolarHBondContact OD1-ND1 3.3Å; N680-G926 WeakPolarHBondContact OD1-CA 3.18Å; N680-G926 PolarHBondContact OD1-N 3.24Å; N680-G926 VanDerWaalsContact OD1-N 3.15Å
681Q97.1Very high96.2Very high83 Ų8327.9 Ų27.939%0.38814%0.142SC..  trans-59.9134.2167.7-155.9-166.631.400111P683 R684 M923Q681-P683 VanDerWaalsContact C-CD 3.41Å; Q681-P683 VanDerWaalsContact O-N 3.12Å; Q681-R684 HydrophobicContact CB-CG 4.31Å; Q681-R684 VanDerWaalsContact O-CB 3.25Å; Q681-R684 WeakPolarHBondContact O-CB 3.35Å; Q681-R684 PolarHBondContact O-N 3.29Å; Q681-M923 HydrophobicContact CB-CB 4.42Å; Q681-M923 PolarHBondContact N-O 3.28Å
682S95.8Very high96.2Very high74 Ų7428 Ų2852%0.51714%0.143SC..Hα-helixtrans-46.4-44.4-175.2175.60000116N680 R684 N685 M686N680-S682 PolarHBondContact O-N 3.18Å; S682-R684 PolarHBondContact O-N 3.25Å; S682-R684 VanDerWaalsContact O-N 3.12Å; S682-N685 PolarHBondContact O-N 2.97Å; S682-N685 VanDerWaalsContact O-N 3.14Å; S682-M686 PolarHBondContact O-N 3.48Å; S682-M686 VanDerWaalsContact O-N 3.12Å
683P95.8Very high96.1Very high46 Ų4628.5 Ų28.530%0.29915%0.145SC..Hα-helixtrans-59.3-28.2178.2-24.435.4000113.8Q681 M686 Y687Q681-P683 VanDerWaalsContact C-CD 3.41Å; Q681-P683 VanDerWaalsContact O-N 3.12Å; P683-M686 PolarHBondContact O-N 3.12Å; P683-Y687 WeakPolarHBondContact O-CD1 3.39Å; P683-Y687 WeakPolarHBondContact O-CD2 3.49Å; P683-Y687 PolarHBondContact O-N 3.17Å
684R96.2Very high96.1Very high35 Ų3529.3 Ų29.313%0.13215%0.149CC..Hα-helixtrans-72.4-39.9179.3-59.5-69.2173.6-98.4-2.9111.5Q681 S682 M686 Y687 Q688 H886 T924Q681-R684 HydrophobicContact CB-CG 4.31Å; Q681-R684 VanDerWaalsContact O-CB 3.25Å; Q681-R684 WeakPolarHBondContact O-CB 3.35Å; Q681-R684 PolarHBondContact O-N 3.29Å; S682-R684 PolarHBondContact O-N 3.25Å; S682-R684 VanDerWaalsContact O-N 3.12Å; R684-M686 VanDerWaalsContact C-N 3.31Å; R684-M686 PolarHBondContact O-N 3.36Å; R684-Y687 VanDerWaalsContact NH1-CE2 3.32Å; R684-Y687 PolarHBondContact O-N 2.89Å; R684-Q688 PolarHBondContact O-N 3.2Å; R684-H886 WeakPolarHBondContact CB-O 3.37Å; R684-T924 HydrophobicContact CB-CG2 3.93Å; R684-T924 HydrophobicContact CG-CG2 3.59Å
685N97.4Very high96Very high10 Ų1029.2 Ų29.25%0.05315%0.149CC..Hα-helixtrans-64.1-39.4172.9-63.5-30.6000111.1V500 I674 S677 N680 S682 Q688 C689V500-N685 HydrophobicContact CG1-CB 3.45Å; V500-N685 VanDerWaalsContact CG1-CB 3.45Å; V500-N685 WeakPolarHBondContact CG1-O 3.5Å; V500-N685 HydrophobicContact CG2-CB 4.38Å; I674-N685 HydrophobicContact CD1-CB 4.07Å; I674-N685 WeakPolarHBondContact CD1-O 3.48Å; S677-N685 PolarHBondContact O-ND2 3.5Å; N680-N685 WeakPolarHBondContact CB-OD1 3.33Å; N680-N685 PolarHBondContact ND2-OD1 2.95Å; S682-N685 PolarHBondContact O-N 2.97Å; S682-N685 VanDerWaalsContact O-N 3.14Å; N685-Q688 PolarHBondContact O-N 3.21Å; N685-C689 PolarHBondContact O-N 3.28Å; N685-C689 PolarHBondContact O-SG 2.53Å; N685-C689 VanDerWaalsContact O-SG 3.38Å
686M96.8Very high95.9Very high34 Ų3429.2 Ų29.217%0.16715%0.149CC..Hα-helixtrans-62.8-46.4174.8-177.2-17869.800111.3V500 T502 S682 P683 R684 Q688 C689 Q690V500-M686 WeakPolarHBondContact O-CA 3.04Å; V500-M686 WeakPolarHBondContact O-CB 3.32Å; V500-M686 WeakPolarHBondContact O-CG 3.36Å; T502-M686 HydrophobicContact CG2-CG 4.16Å; T502-M686 HydrophobicContact CG2-SD 3.68Å; T502-M686 WeakPolarHBondContact O-CG 3.28Å; S682-M686 PolarHBondContact O-N 3.48Å; S682-M686 VanDerWaalsContact O-N 3.12Å; P683-M686 PolarHBondContact O-N 3.12Å; R684-M686 VanDerWaalsContact C-N 3.31Å; R684-M686 PolarHBondContact O-N 3.36Å; M686-Q688 VanDerWaalsContact C-N 3.32Å; M686-Q688 PolarHBondContact O-N 2.96Å; M686-C689 WeakPolarHBondContact O-CB 3.3Å; M686-C689 PolarHBondContact O-N 3.29Å; M686-Q690 PolarHBondContact O-N 2.91Å
687Y96.2Very high95.7Very high80 Ų8029.1 Ų29.131%0.31415%0.148SC..Hα-helixtrans-62-39.5174.9-66.4-17.6000112D504 P683 R684 C689 Q690 M691D504-Y687 HydrophobicContact CB-CE1 4.23Å; P683-Y687 WeakPolarHBondContact O-CD1 3.39Å; P683-Y687 WeakPolarHBondContact O-CD2 3.49Å; P683-Y687 PolarHBondContact O-N 3.17Å; R684-Y687 VanDerWaalsContact NH1-CE2 3.32Å; R684-Y687 PolarHBondContact O-N 2.89Å; Y687-C689 VanDerWaalsContact C-N 3.33Å; Y687-C689 PolarHBondContact O-N 2.84Å; Y687-Q690 CarbonylContact O-C 3.51Å; Y687-Q690 WeakPolarHBondContact O-CA 3.35Å; Y687-Q690 WeakPolarHBondContact O-CB 3.45Å; Y687-Q690 PolarHBondContact O-N 3.25Å; Y687-M691 WeakPolarHBondContact O-CG 3.47Å; Y687-M691 PolarHBondContact O-N 2.92Å
688Q97Very high95.4Very high10 Ų1030 Ų305%0.04715%0.151CC..Hα-helixtrans-61.5-42.8176.717657.817.800111.9I674 R684 N685 M686 Q690 M691 G692 S884 R885I674-Q688 HydrophobicContact CD1-CB 3.85Å; I674-Q688 HydrophobicContact CD1-CG 3.83Å; I674-Q688 HydrophobicContact CG1-CB 4.31Å; I674-Q688 HydrophobicContact CG1-CG 3.73Å; R684-Q688 PolarHBondContact O-N 3.2Å; N685-Q688 PolarHBondContact O-N 3.21Å; M686-Q688 VanDerWaalsContact C-N 3.32Å; M686-Q688 PolarHBondContact O-N 2.96Å; Q688-Q690 PolarHBondContact O-N 2.65Å; Q688-M691 PolarHBondContact O-N 3.48Å; Q688-G692 PolarHBondContact O-N 3.22Å; Q688-S884 PolarHBondContact OE1-O 3.32Å; Q688-R885 VanDerWaalsContact CD-C 3.5Å; Q688-R885 VanDerWaalsContact CD-CA 3.44Å; Q688-R885 WeakPolarHBondContact CG-O 3.38Å
689C96.8Very high95.2Very high1 Ų127.7 Ų27.71%0.00714%0.139CC..Hα-helixtrans-55.9-35.9175.2-69.70000111.4H501 V670 N685 M686 Y687 K693H501-C689 HydrophobicContact CB-CB 4.5Å; V670-C689 HydrophobicContact CG1-CB 4.38Å; N685-C689 PolarHBondContact O-N 3.28Å; N685-C689 PolarHBondContact O-SG 2.53Å; N685-C689 VanDerWaalsContact O-SG 3.38Å; M686-C689 WeakPolarHBondContact O-CB 3.3Å; M686-C689 PolarHBondContact O-N 3.29Å; Y687-C689 VanDerWaalsContact C-N 3.33Å; Y687-C689 PolarHBondContact O-N 2.84Å; C689-K693 WeakPolarHBondContact O-CE 3.47Å; C689-K693 VanDerWaalsContact O-CG 3.28Å; C689-K693 WeakPolarHBondContact O-CG 3.48Å
690Q95.4Very high95Very high35 Ų3524.6 Ų24.616%0.16413%0.125CC..Hα-helixtrans-76-44.7175.8-169.6-171.520.300112.9D504 M686 Y687 Q688 K693 Q694D504-Q690 PolarHBondContact OD1-NE2 3Å; D504-Q690 PolarHBondContact OD1-OE1 3.01Å; M686-Q690 PolarHBondContact O-N 2.91Å; Y687-Q690 CarbonylContact O-C 3.51Å; Y687-Q690 WeakPolarHBondContact O-CA 3.35Å; Y687-Q690 WeakPolarHBondContact O-CB 3.45Å; Y687-Q690 PolarHBondContact O-N 3.25Å; Q688-Q690 PolarHBondContact O-N 2.65Å; Q690-K693 WeakPolarHBondContact O-CB 3.35Å; Q690-K693 PolarHBondContact O-N 3.5Å; Q690-K693 VanDerWaalsContact O-N 3.16Å; Q690-Q694 WeakPolarHBondContact O-CG 3.42Å; Q690-Q694 PolarHBondContact O-N 2.92Å
691M95.3Very high94.8Very high12 Ų1228.3 Ų28.36%0.05914%0.141CC..Hα-helixtrans-66.4-41.1-178.6-65.6-49.9109.400111.4Y687 Q688 K693 Q694 T695 A883 K889 L1001Y687-M691 WeakPolarHBondContact O-CG 3.47Å; Y687-M691 PolarHBondContact O-N 2.92Å; Q688-M691 PolarHBondContact O-N 3.48Å; M691-K693 PolarHBondContact O-N 3.45Å; M691-Q694 CarbonylContact O-C 3.5Å; M691-Q694 WeakPolarHBondContact O-CA 3.41Å; M691-Q694 PolarHBondContact O-N 3.39Å; M691-T695 PolarHBondContact O-N 3.43Å; M691-A883 HydrophobicContact CB-CB 4.47Å; M691-K889 HydrophobicContact SD-CD 4.3Å; M691-L1001 HydrophobicContact CB-CD2 4.17Å; M691-L1001 HydrophobicContact SD-CD1 3.7Å; M691-L1001 HydrophobicContact SD-CD2 4.48Å
692G95Very high94.5Very high2 Ų224.9 Ų24.92%0.02113%0.127CC..Hα-helixtrans-60.9-26.9172.600000113.4N461 Q688 Q694 T695N461-G692 PolarHBondContact ND2-O 2.86Å; Q688-G692 PolarHBondContact O-N 3.22Å; G692-Q694 VanDerWaalsContact C-N 3.33Å; G692-T695 WeakPolarHBondContact O-CG2 3.49Å
693K95.4Very high94.2Very high13 Ų1323 Ų236%0.05711%0.109CC..THydrogen-bonded Turntrans-81.7-8.7171.3-71.3-175.6-60.3-166.80113.9I463 R464 S467 H501 C689 Q690 M691I463-K693 HydrophobicContact CG2-CG 4.2Å; R464-K693 HydrophobicContact CB-CB 4.3Å; R464-K693 WeakPolarHBondContact CB-O 3.32Å; S467-K693 VanDerWaalsContact OG-CD 3.27Å; S467-K693 WeakPolarHBondContact OG-CD 3.36Å; H501-K693 WeakPolarHBondContact NE2-CE 3.44Å; H501-K693 PolarHBondContact NE2-NZ 2.69Å; C689-K693 WeakPolarHBondContact O-CE 3.47Å; C689-K693 VanDerWaalsContact O-CG 3.28Å; C689-K693 WeakPolarHBondContact O-CG 3.48Å; Q690-K693 WeakPolarHBondContact O-CB 3.35Å; Q690-K693 PolarHBondContact O-N 3.5Å; Q690-K693 VanDerWaalsContact O-N 3.16Å; M691-K693 PolarHBondContact O-N 3.45Å
694Q94.6Very high93.8Very high33 Ų3323.8 Ų23.815%0.15411%0.113CC..THydrogen-bonded Turntrans-115.1-3.8-176.2-68.2175.62.400113.3Q690 M691 G692 R1002 H1003Q690-Q694 WeakPolarHBondContact O-CG 3.42Å; Q690-Q694 PolarHBondContact O-N 2.92Å; M691-Q694 CarbonylContact O-C 3.5Å; M691-Q694 WeakPolarHBondContact O-CA 3.41Å; M691-Q694 PolarHBondContact O-N 3.39Å; G692-Q694 VanDerWaalsContact C-N 3.33Å; Q694-R1002 WeakPolarHBondContact O-CB 3.45Å; Q694-R1002 PolarHBondContact O-N 3.4Å; Q694-H1003 PolarHBondContact OE1-CE1 3.35Å
695T94.9Very high93.3Very high0 Ų025 Ų250%012%0.122CC..BIsolated β-bridgetrans-74140.9180-178.90000112.7L460 N461 M691 G692 G697 S737 Q999 R1000L460-T695 WeakPolarHBondContact CD2-O 3.42Å; N461-T695 VanDerWaalsContact ND2-CG2 3.26Å; N461-T695 WeakPolarHBondContact ND2-CG2 3.4Å; N461-T695 PolarHBondContact ND2-O 3.4Å; M691-T695 PolarHBondContact O-N 3.43Å; G692-T695 WeakPolarHBondContact O-CG2 3.49Å; T695-G697 PolarHBondContact O-N 3.48Å; T695-S737 PolarHBondContact OG1-O 3.23Å; T695-Q999 HydrophobicContact CG2-CB 4.42Å; T695-Q999 HydrophobicContact CG2-CG 4.44Å; T695-Q999 WeakPolarHBondContact OG1-CB 3.18Å; T695-R1000 CarbonylContact C-O 3.57Å; T695-R1000 WeakPolarHBondContact CA-O 3.4Å; T695-R1000 WeakPolarHBondContact CB-O 3.31Å; T695-R1000 PolarHBondContact OG1-O 2.92Å
696M93.1Very high92.9Very high0 Ų024.8 Ų24.80%012%0.121CC..  trans-70.6109.8164.6-178.7175.8-53.900108.9Y712 L714 R1000 M1004M696-Y712 HydrophobicContact CE-CD1 3.78Å; M696-Y712 HydrophobicContact CE-CG 4.41Å; M696-L714 HydrophobicContact CG-CB 4.33Å; M696-R1000 PolarHBondContact N-O 3.43Å; M696-M1004 HydrophobicContact CE-CE 3.51Å; M696-M1004 HydrophobicContact CE-SD 4.49Å
697G91.5Very high92.6Very high0 Ų023.4 Ų23.40%011%0.114CC..  trans-119.3-154.7174.500000111.7T695 P699 R713 L714T695-G697 PolarHBondContact O-N 3.48Å; G697-P699 WeakPolarHBondContact O-CD 3.3Å; G697-R713 WeakPolarHBondContact O-CA 3.45Å; G697-L714 PolarHBondContact O-N 2.8Å
698F91.6Very high92.3Very high27 Ų2720.9 Ų20.912%0.11811%0.106CC..  trans-96.2101.3166.2-157.8-84.1000109.2L700 H701 R713 P717 P736F698-L700 WeakPolarHBondContact CE1-O 3.34Å; F698-H701 AromaticContact CE1-CE1 3.91Å; F698-H701 AromaticContact CE1-ND1 3.4Å; F698-H701 WeakPolarHBondContact CE1-ND1 3.43Å; F698-R713 HydrophobicContact CD2-CG 4.35Å; F698-R713 HydrophobicContact CE2-CG 4.46Å; F698-R713 VanDerWaalsContact CE2-NE 3.35Å; F698-P717 HydrophobicContact CB-CG 4.3Å; F698-P717 HydrophobicContact CD2-CG 4.35Å; F698-P736 HydrophobicContact CB-CG 4.48Å; F698-P736 PolarHBondContact N-O 3.11Å
699P90.8Very high92Very high7 Ų724.6 Ų24.65%0.04513%0.126CC..  trans-73.7-37.1-167.127.1-34.6000113.7G697 Y712G697-P699 WeakPolarHBondContact O-CD 3.3Å; P699-Y712 WeakPolarHBondContact CD-O 3.36Å; P699-Y712 WeakPolarHBondContact CG-O 3.46Å
700L92.2Very high91.7Very high2 Ų228 Ų281%0.0114%0.141CC..  trans-169.9158.7-174.359.697.8000111.2E162 K459 F698 S702 F703 L711E162-L700 HydrophobicContact CG-CB 4.4Å; E162-L700 WeakPolarHBondContact OE1-CB 3.25Å; K459-L700 HydrophobicContact CB-CD2 4.25Å; K459-L700 HydrophobicContact CD-CD2 3.42Å; K459-L700 VanDerWaalsContact CD-CD2 3.42Å; K459-L700 HydrophobicContact CG-CD2 4.47Å; F698-L700 WeakPolarHBondContact CE1-O 3.34Å; L700-S702 VanDerWaalsContact CD1-C 3.49Å; L700-F703 HydrophobicContact CD1-CB 3.52Å; L700-F703 HydrophobicContact CG-CB 4.34Å; L700-L711 HydrophobicContact CD2-CD2 4.29Å
701H91.4Very high91.6Very high90 Ų9026.9 Ų26.942%0.41714%0.136SC..SBendtrans-87.4-33.6-179.4-59.6-66000114F698 F703 N734 Y735F698-H701 AromaticContact CE1-CE1 3.91Å; F698-H701 AromaticContact CE1-ND1 3.4Å; F698-H701 WeakPolarHBondContact CE1-ND1 3.43Å; H701-F703 WeakPolarHBondContact O-CD1 3.37Å; H701-F703 PolarHBondContact O-N 3.41Å; H701-F703 VanDerWaalsContact O-N 3.08Å; H701-N734 PolarHBondContact CE1-O 3.33Å; H701-N734 PolarHBondContact NE2-O 2.86Å; H701-Y735 AromaticContact CD2-CE1 3.7Å; H701-Y735 AromaticContact NE2-CE1 3.65Å
702S91.5Very high91.6Very high11 Ų1127.2 Ų27.28%0.07714%0.137CC..  trans-80.426-176.959.10000114.3E162 L700 T704 D705 R706E162-S702 PolarHBondContact OE1-OG 2.86Å; E162-S702 PolarHBondContact OE2-OG 2.73Å; L700-S702 VanDerWaalsContact CD1-C 3.49Å; S702-T704 VanDerWaalsContact C-N 3.25Å; S702-T704 PolarHBondContact O-N 2.98Å; S702-D705 PolarHBondContact O-N 2.87Å; S702-R706 WeakPolarHBondContact O-CG 3.28Å; S702-R706 PolarHBondContact O-N 3.13Å
703F89.4Confident91.6Very high36 Ų3629.2 Ų29.216%0.15814%0.144CC..THydrogen-bonded Turntrans-67.8-25.1-167.668.7-88.6000113.5L700 H701 D705 R706 L711 Y774L700-F703 HydrophobicContact CD1-CB 3.52Å; L700-F703 HydrophobicContact CG-CB 4.34Å; H701-F703 WeakPolarHBondContact O-CD1 3.37Å; H701-F703 PolarHBondContact O-N 3.41Å; H701-F703 VanDerWaalsContact O-N 3.08Å; F703-D705 VanDerWaalsContact C-N 3.28Å; F703-D705 PolarHBondContact O-N 3.46Å; F703-R706 PolarHBondContact O-N 2.65Å; F703-L711 HydrophobicContact CB-CD1 4.37Å; F703-Y774 HydrophobicContact CD2-CE1 4.12Å; F703-Y774 HydrophobicContact CE2-CE1 4.05Å; F703-Y774 AromaticContact CE2-CZ 3.86Å
704T87.7Confident91.5Very high61 Ų6128.6 Ų28.637%0.37414%0.141SC..THydrogen-bonded Turntrans-63.8-35174.251.80000112.2S702 N850S702-T704 VanDerWaalsContact C-N 3.25Å; S702-T704 PolarHBondContact O-N 2.98Å; T704-N850 PolarHBondContact O-ND2 3.07Å
705D86Confident91.4Very high60 Ų6031.8 Ų31.832%0.32116%0.156SC..THydrogen-bonded Turntrans-91.7-4.3-174.3-61.9-17.8000112H160 S702 F703 K852H160-D705 HydrophobicContact CB-CB 4.16Å; H160-D705 IonicContact CE1-OD2 3.98Å; H160-D705 IonicContact CG-OD2 2.83Å; H160-D705 IonicContact ND1-OD2 2.72Å; H160-D705 PolarHBondContact ND1-OD2 2.87Å; S702-D705 PolarHBondContact O-N 2.87Å; F703-D705 VanDerWaalsContact C-N 3.28Å; F703-D705 PolarHBondContact O-N 3.46Å; D705-K852 PolarHBondContact O-NZ 3.17Å
706R87.9Confident91.3Very high7 Ų735.4 Ų35.43%0.02618%0.178CC..  trans-98.2165.3178.8-66.9-179.766.6114.19.6113.1E162 E176 S702 F703 D708 K852E162-R706 IonicContact OE1-NH1 3.75Å; E176-R706 IonicContact OE1-CZ 3.64Å; E176-R706 VanDerWaalsContact OE1-CZ 3.24Å; E176-R706 IonicContact OE1-NH1 3.69Å; E176-R706 PolarHBondContact OE1-NH1 2.99Å; E176-R706 IonicContact OE1-NH2 3.66Å; E176-R706 PolarHBondContact OE1-NH2 2.84Å; E176-R706 IonicContact OE2-NH2 3.23Å; S702-R706 WeakPolarHBondContact O-CG 3.28Å; S702-R706 PolarHBondContact O-N 3.13Å; F703-R706 PolarHBondContact O-N 2.65Å; R706-D708 IonicContact CZ-OD1 2.71Å; R706-D708 IonicContact CZ-OD2 3.65Å; R706-D708 IonicContact NE-OD1 2.88Å; R706-D708 IonicContact NE-OD2 2.7Å; R706-D708 PolarHBondContact NE-OD2 3.17Å; R706-D708 IonicContact NH2-OD1 2.61Å; R706-D708 PolarHBondContact NH2-OD1 3.08Å; R706-D708 IonicContact NH2-OD2 2.77Å; R706-D708 PolarHBondContact NH2-OD2 2.91Å; R706-K852 VanDerWaalsContact C-NZ 3.28Å; R706-K852 PolarHBondContact O-NZ 3.44Å
707S89.9Confident91.3Very high5 Ų536.9 Ų36.94%0.03519%0.188CC..  trans-138.336.8-176.5-67.80000111.5R107 K852R107-S707 PolarHBondContact NE-O 3.22Å; R107-S707 PolarHBondContact NH2-O 2.88Å; R107-S707 VanDerWaalsContact NH2-O 3.08Å; S707-K852 PolarHBondContact OG-NZ 3.14Å; S707-K852 VanDerWaalsContact OG-NZ 3.11Å
708D90.5Very high91.4Very high26 Ų2641.1 Ų41.114%0.13921%0.208CC..  trans-61.9151.1179.3-61.4-58.8000111.2R706 K710 L711 T776R706-D708 IonicContact CZ-OD1 2.71Å; R706-D708 IonicContact CZ-OD2 3.65Å; R706-D708 IonicContact NE-OD1 2.88Å; R706-D708 IonicContact NE-OD2 2.7Å; R706-D708 PolarHBondContact NE-OD2 3.17Å; R706-D708 IonicContact NH2-OD1 2.61Å; R706-D708 PolarHBondContact NH2-OD1 3.08Å; R706-D708 IonicContact NH2-OD2 2.77Å; R706-D708 PolarHBondContact NH2-OD2 2.91Å; D708-K710 PolarHBondContact O-N 2.77Å; D708-L711 HydrophobicContact CB-CD1 4.07Å; D708-L711 HydrophobicContact CB-CD2 4.04Å; D708-L711 HydrophobicContact CB-CG 3.84Å; D708-T776 WeakPolarHBondContact O-CB 3.5Å; D708-T776 PolarHBondContact O-OG1 3.16Å
709N90.9Very high91.4Very high88 Ų8840.8 Ų40.847%0.47121%0.208SC..SBendtrans-64.2-43-176.8-71.7-30.6000112.8R107 K775 T776R107-N709 PolarHBondContact NH2-OD1 3.48Å; R107-N709 VanDerWaalsContact NH2-OD1 3.1Å; N709-K775 WeakPolarHBondContact O-CA 3.44Å; N709-T776 PolarHBondContact O-N 2.86Å
710K91.3Very high91.5Very high73 Ų7340.4 Ų40.432%0.31721%0.206SC..EExtended strand (participates in β ladder)trans-151.4124.1178.9-164.6175.6-172.5-172.30109.9D708 Y712 I773 Y774 D1007D708-K710 PolarHBondContact O-N 2.77Å; K710-Y712 HydrophobicContact CD-CE1 4.41Å; K710-Y712 HydrophobicContact CD-CE2 4.07Å; K710-Y712 WeakPolarHBondContact CD-OH 3.49Å; K710-Y712 WeakPolarHBondContact CE-OH 3.2Å; K710-Y712 HydrophobicContact CG-CE2 4.14Å; K710-Y712 PolarHBondContact NZ-OH 3.28Å; K710-I773 HydrophobicContact CD-CG2 4.24Å; K710-I773 HydrophobicContact CG-CG2 3.67Å; K710-Y774 CarbonylContact C-O 3.58Å; K710-Y774 VanDerWaalsContact CA-O 3.25Å; K710-Y774 WeakPolarHBondContact CA-O 3.49Å; K710-D1007 IonicContact NZ-OD2 3.58Å
711L93.4Very high91.6Very high11 Ų1141.8 Ų41.86%0.05821%0.213CC..EExtended strand (participates in β ladder)trans-121.1145.2171.1-65169.1000109.7K459 L700 F703 D708 I773 Y774K459-L711 HydrophobicContact CB-CD2 4.22Å; L700-L711 HydrophobicContact CD2-CD2 4.29Å; F703-L711 HydrophobicContact CB-CD1 4.37Å; D708-L711 HydrophobicContact CB-CD1 4.07Å; D708-L711 HydrophobicContact CB-CD2 4.04Å; D708-L711 HydrophobicContact CB-CG 3.84Å; L711-I773 CarbonylContact O-C 3.59Å; L711-I773 VanDerWaalsContact O-CA 3.28Å; L711-I773 WeakPolarHBondContact O-CA 3.47Å; L711-Y774 PolarHBondContact N-O 3.1Å; L711-Y774 PolarHBondContact O-N 3.26Å
712Y94.3Very high91.8Very high20 Ų2037.6 Ų37.68%0.07819%0.194CC..EExtended strand (participates in β ladder)trans-114.5125.3175.6-59.4-94.4000108.1L460 M696 P699 K710 I773 R1002 M1004L460-Y712 HydrophobicContact CD1-CD2 3.91Å; L460-Y712 HydrophobicContact CD1-CE2 3.86Å; L460-Y712 HydrophobicContact CG-CD2 3.92Å; L460-Y712 HydrophobicContact CG-CE2 4.37Å; M696-Y712 HydrophobicContact CE-CD1 3.78Å; M696-Y712 HydrophobicContact CE-CG 4.41Å; P699-Y712 WeakPolarHBondContact CD-O 3.36Å; P699-Y712 WeakPolarHBondContact CG-O 3.46Å; K710-Y712 HydrophobicContact CD-CE1 4.41Å; K710-Y712 HydrophobicContact CD-CE2 4.07Å; K710-Y712 WeakPolarHBondContact CD-OH 3.49Å; K710-Y712 WeakPolarHBondContact CE-OH 3.2Å; K710-Y712 HydrophobicContact CG-CE2 4.14Å; K710-Y712 PolarHBondContact NZ-OH 3.28Å; Y712-I773 HydrophobicContact CD1-CD1 4.06Å; Y712-I773 HydrophobicContact CD1-CG1 3.78Å; Y712-I773 HydrophobicContact CE1-CD1 3.83Å; Y712-I773 HydrophobicContact CE1-CG1 4.05Å; Y712-R1002 HydrophobicContact CE1-CB 4.25Å; Y712-M1004 HydrophobicContact CD1-CE 3.76Å; Y712-M1004 HydrophobicContact CE1-CE 3.62Å
713R94.4Very high91.9Very high43 Ų4337 Ų3716%0.16219%0.19CC..EExtended strand (participates in β ladder)trans-129.8123.4-177-178.3-179.7171.7-147.3-3.3110.3G697 F698 G771 S772 Y774G697-R713 WeakPolarHBondContact O-CA 3.45Å; F698-R713 HydrophobicContact CD2-CG 4.35Å; F698-R713 HydrophobicContact CE2-CG 4.46Å; F698-R713 VanDerWaalsContact CE2-NE 3.35Å; R713-G771 CarbonylContact O-C 3.57Å; R713-G771 WeakPolarHBondContact O-CA 3.44Å; R713-S772 PolarHBondContact N-O 2.9Å; R713-S772 PolarHBondContact O-N 3.33Å; R713-Y774 HydrophobicContact CB-CD2 4.48Å; R713-Y774 HydrophobicContact CB-CE2 4.05Å; R713-Y774 PolarHBondContact NH1-OH 2.86Å; R713-Y774 VanDerWaalsContact NH1-OH 3.17Å
714L94.3Very high92.1Very high1 Ų135.4 Ų35.41%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-76.7137.8166.9-159.367.9000109.4M696 G697 P717 T739 A769 H770M696-L714 HydrophobicContact CG-CB 4.33Å; G697-L714 PolarHBondContact O-N 2.8Å; L714-P717 HydrophobicContact CD2-CB 3.97Å; L714-T739 HydrophobicContact CD2-CG2 4.32Å; L714-A769 HydrophobicContact CD1-CB 4.49Å; L714-H770 WeakPolarHBondContact CD1-O 3.49Å
715Q92.9Very high92.4Very high100 Ų10033.6 Ų33.647%0.46717%0.17SC..SBendtrans-79.5-44.8-174-172671600112.3P717 H770Q715-P717 WeakPolarHBondContact O-CD 3.45Å; Q715-H770 HydrophobicContact CB-CB 4.48Å; Q715-H770 WeakPolarHBondContact CB-O 3.44Å; Q715-H770 PolarHBondContact N-O 2.81Å
716T93.3Very high92.6Very high75 Ų7530.9 Ų30.946%0.4616%0.155SC..SBendtrans-126.359.2-173.945.40000111.3T739 G767T716-T739 WeakPolarHBondContact O-CG2 3.49Å; T716-G767 PolarHBondContact OG1-O 3.5Å
717P92.6Very high92.9Very high31 Ų3131 Ų3120%0.20116%0.156CC..  trans-67.5151.6174.534.4-38000110.6F698 L714 Q715 P736 G738F698-P717 HydrophobicContact CB-CG 4.3Å; F698-P717 HydrophobicContact CD2-CG 4.35Å; L714-P717 HydrophobicContact CD2-CB 3.97Å; Q715-P717 WeakPolarHBondContact O-CD 3.45Å; P717-P736 HydrophobicContact CB-CB 3.85Å; P717-P736 HydrophobicContact CB-CG 3.6Å; P717-P736 HydrophobicContact CG-CB 4.4Å; P717-P736 HydrophobicContact CG-CG 3.59Å; P717-G738 CarbonylContact C-O 3.6Å; P717-G738 WeakPolarHBondContact CA-O 3.44Å
718Q92.9Very high92.9Very high90 Ų9031.3 Ų31.342%0.42116%0.157SC..  trans-120.7160.5176.7-64.4175.6-14.900110.5P736 G738 T739 N740 Y997Q718-P736 WeakPolarHBondContact O-CB 3.5Å; Q718-G738 PolarHBondContact N-O 3.01Å; Q718-T739 HydrophobicContact CG-CG2 4.46Å; Q718-N740 PolarHBondContact OE1-ND2 3.43Å; Q718-Y997 WeakPolarHBondContact O-CE2 3.44Å; Q718-Y997 PolarHBondContact O-OH 2.78Å
719S92.2Very high92.9Very high19 Ų1931 Ų3113%0.13316%0.155CC..  trans-77.1145.5165.3-169.70000110.7R723 D733 N740S719-R723 PolarHBondContact OG-NH1 2.66Å; S719-D733 VanDerWaalsContact CB-OD1 3.27Å; S719-D733 WeakPolarHBondContact CB-OD1 3.46Å; S719-D733 PolarHBondContact OG-OD1 2.88Å; S719-N740 PolarHBondContact O-ND2 2.79Å
720A93.4Very high93Very high0 Ų027.2 Ų27.20%013%0.134CC..  trans-76.3129.5179.300000111.2V722 R723 Y997A720-V722 VanDerWaalsContact C-N 3.34Å; A720-R723 HydrophobicContact CB-CB 4.39Å; A720-R723 WeakPolarHBondContact O-CD 3.26Å; A720-Y997 HydrophobicContact CB-CD1 4.38Å; A720-Y997 HydrophobicContact CB-CD2 3.57Å; A720-Y997 HydrophobicContact CB-CE2 3.87Å; A720-Y997 HydrophobicContact CB-CG 3.81Å
721L93.6Very high92.9Very high30 Ų3025 Ų2516%0.15713%0.125CC..SBendtrans-66.5-37.5177.4-66.3177.7000112.5L16 N740 A937 A938 S943 H944 V995L16-L721 HydrophobicContact CD1-CD2 4.09Å; L721-N740 PolarHBondContact N-OD1 3.46Å; L721-A937 HydrophobicContact CB-CB 3.93Å; L721-A937 HydrophobicContact CD1-CB 4.42Å; L721-A938 HydrophobicContact CD1-CB 4.13Å; L721-S943 VanDerWaalsContact O-CA 3.26Å; L721-S943 WeakPolarHBondContact O-CA 3.12Å; L721-S943 WeakPolarHBondContact O-CB 3.45Å; L721-S943 PolarHBondContact O-OG 3.38Å; L721-H944 PolarHBondContact O-N 3.24Å; L721-H944 VanDerWaalsContact O-N 3.16Å; L721-V995 HydrophobicContact CD1-CG1 4.14Å
722V95.6Very high92.7Very high2 Ų224.5 Ų24.51%0.01212%0.123CC..EExtended strand (participates in β ladder)trans-106.8115.2178.4-179.80000107.6P675 Y676 A720 R885 E930 A933 G934 A946P675-V722 HydrophobicContact CB-CG1 4.37Å; Y676-V722 HydrophobicContact CE2-CG1 3.75Å; A720-V722 VanDerWaalsContact C-N 3.34Å; V722-R885 VanDerWaalsContact O-CZ 3.29Å; V722-R885 PolarHBondContact O-NH1 3.01Å; V722-R885 PolarHBondContact O-NH2 3.43Å; V722-E930 HydrophobicContact CB-CG 4.03Å; V722-E930 HydrophobicContact CG1-CG 4.06Å; V722-E930 HydrophobicContact CG2-CG 4.35Å; V722-A933 HydrophobicContact CG1-CB 4.2Å; V722-A933 HydrophobicContact CG2-CB 3.65Å; V722-G934 VanDerWaalsContact CG2-CA 3.48Å; V722-G934 VanDerWaalsContact CG2-N 3.28Å; V722-A946 HydrophobicContact CG1-CB 3.57Å
723R94.1Very high92.5Very high0 Ų024.5 Ų24.50%012%0.124CC..EExtended strand (participates in β ladder)trans-156.4147-175.761.9-173.1179.6173.613.1112P14 S15 S719 A720 Y727 D728 D733 H944 A946P14-R723 HydrophobicContact CB-CG 3.66Å; P14-R723 HydrophobicContact CG-CG 4.43Å; S15-R723 PolarHBondContact O-NH2 3.46Å; S719-R723 PolarHBondContact OG-NH1 2.66Å; A720-R723 HydrophobicContact CB-CB 4.39Å; A720-R723 WeakPolarHBondContact O-CD 3.26Å; R723-Y727 HydrophobicContact CB-CG 4.4Å; R723-D728 IonicContact CZ-OD1 2.8Å; R723-D728 IonicContact CZ-OD2 3.92Å; R723-D728 IonicContact NE-OD1 3.58Å; R723-D728 PolarHBondContact NE-OD1 3.12Å; R723-D728 IonicContact NE-OD2 3.77Å; R723-D728 IonicContact NH1-OD1 3.83Å; R723-D728 PolarHBondContact NH1-OD1 3.11Å; R723-D728 IonicContact NH2-OD1 3.46Å; R723-D728 PolarHBondContact NH2-OD1 3.06Å; R723-D728 IonicContact NH2-OD2 2.87Å; R723-D728 PolarHBondContact NH2-OD2 3.22Å; R723-D733 IonicContact CZ-OD1 3.35Å; R723-D733 IonicContact CZ-OD2 3.39Å; R723-D733 IonicContact NH1-OD1 2.78Å; R723-D733 PolarHBondContact NH1-OD1 2.89Å; R723-D733 IonicContact NH1-OD2 3.53Å; R723-D733 PolarHBondContact NH1-OD2 3.25Å; R723-D733 IonicContact NH2-OD2 3.74Å; R723-D733 PolarHBondContact NH2-OD2 3.4Å; R723-D733 VanDerWaalsContact NH2-OD2 3.1Å; R723-H944 PolarHBondContact N-O 2.88Å; R723-A946 PolarHBondContact O-N 3.36Å; R723-A946 VanDerWaalsContact O-N 3.14Å
724P93.9Very high92.2Very high1 Ų124.7 Ų24.71%0.00613%0.128CC..  trans-63.6145.6169.8-23.437000110.9N672 M726 Y727 D945 A946N672-P724 VanDerWaalsContact O-CB 3.3Å; N672-P724 WeakPolarHBondContact O-CB 3.48Å; N672-P724 VanDerWaalsContact O-CG 3.22Å; N672-P724 WeakPolarHBondContact O-CG 3.32Å; P724-M726 PolarHBondContact O-N 3.36Å; P724-Y727 WeakPolarHBondContact O-CB 3.02Å; P724-Y727 PolarHBondContact O-N 3.34Å; P724-D945 WeakPolarHBondContact CA-OD1 3.21Å; P724-A946 HydrophobicContact CG-CB 4.44Å
725Y92.1Very high92.1Very high24 Ų2425.3 Ų25.39%0.09413%0.13CC..Hα-helixtrans-58.7-22.6176.171.4-102.3000113L10 H664 Y727 D728 H729 D945 T947L10-Y725 HydrophobicContact CB-CE2 4.17Å; L10-Y725 HydrophobicContact CD1-CE2 3.86Å; L10-Y725 HydrophobicContact CG-CE2 4.41Å; H664-Y725 PolarHBondContact CE1-OH 3.23Å; H664-Y725 AromaticContact NE2-CE1 3.95Å; H664-Y725 AromaticContact NE2-CZ 3.55Å; H664-Y725 PolarHBondContact NE2-OH 2.82Å; Y725-Y727 PolarHBondContact O-N 2.7Å; Y725-D728 PolarHBondContact O-N 2.8Å; Y725-D728 VanDerWaalsContact O-N 3.11Å; Y725-H729 PolarHBondContact O-N 2.92Å; Y725-D945 PolarHBondContact N-OD1 3.12Å; Y725-T947 HydrophobicContact CD1-CG2 4.26Å; Y725-T947 WeakPolarHBondContact CD1-OG1 3.34Å; Y725-T947 HydrophobicContact CE1-CG2 3.78Å; Y725-T947 WeakPolarHBondContact CE1-OG1 3.45Å; Y725-T947 PolarHBondContact N-OG1 3.36Å
726M92.1Very high92.1Very high2 Ų221.2 Ų21.21%0.0111%0.113CC..Hα-helixtrans-63.4-24.5174-71.9-63.6-81.800112.9W7 L10 A516 N672 P724 D728 H729 Y730W7-M726 HydrophobicContact CH2-CE 4.47Å; W7-M726 HydrophobicContact CZ3-CE 3.97Å; L10-M726 HydrophobicContact CD2-SD 4.47Å; A516-M726 HydrophobicContact CB-CE 4.21Å; N672-M726 HydrophobicContact CB-CB 4.21Å; N672-M726 HydrophobicContact CB-CG 4.43Å; P724-M726 PolarHBondContact O-N 3.36Å; M726-D728 VanDerWaalsContact C-N 3.31Å; M726-H729 HydrophobicContact SD-CB 4.31Å; M726-Y730 HydrophobicContact CE-CE2 3.67Å; M726-Y730 VanDerWaalsContact O-CD2 3.24Å; M726-Y730 WeakPolarHBondContact O-CD2 3.43Å; M726-Y730 PolarHBondContact O-N 3.04Å
727Y92.2Very high92Very high11 Ų1117.9 Ų17.94%0.0439%0.093CC..Hα-helixtrans-61.2-42.4172-169.8-85.3000111.2F673 R723 P724 Y725 N731 L732F673-Y727 HydrophobicContact CD1-CD2 4.32Å; R723-Y727 HydrophobicContact CB-CG 4.4Å; P724-Y727 WeakPolarHBondContact O-CB 3.02Å; P724-Y727 PolarHBondContact O-N 3.34Å; Y725-Y727 PolarHBondContact O-N 2.7Å; Y727-N731 PolarHBondContact O-N 3.48Å; Y727-L732 HydrophobicContact CD1-CB 3.8Å; Y727-L732 HydrophobicContact CD2-CB 3.81Å; Y727-L732 HydrophobicContact CD2-CG 4.3Å; Y727-L732 HydrophobicContact CE1-CB 3.54Å; Y727-L732 HydrophobicContact CE2-CB 3.55Å; Y727-L732 HydrophobicContact CE2-CG 4.19Å; Y727-L732 HydrophobicContact CG-CB 3.93Å; Y727-L732 VanDerWaalsContact CZ-CB 3.41Å; Y727-L732 PolarHBondContact O-N 2.89Å; Y727-L732 VanDerWaalsContact O-N 3.14Å
728D90.8Very high92.1Very high11 Ų1116.5 Ų16.56%0.0598%0.084CC..Hα-helixtrans-77.1-37.6-179.8-67.210.4000110.6P14 S15 R723 Y725 M726 Y730 N731P14-D728 VanDerWaalsContact CA-OD2 3.29Å; P14-D728 WeakPolarHBondContact CA-OD2 3.41Å; S15-D728 PolarHBondContact N-OD2 2.84Å; R723-D728 IonicContact CZ-OD1 2.8Å; R723-D728 IonicContact CZ-OD2 3.92Å; R723-D728 IonicContact NE-OD1 3.58Å; R723-D728 PolarHBondContact NE-OD1 3.12Å; R723-D728 IonicContact NE-OD2 3.77Å; R723-D728 IonicContact NH1-OD1 3.83Å; R723-D728 PolarHBondContact NH1-OD1 3.11Å; R723-D728 IonicContact NH2-OD1 3.46Å; R723-D728 PolarHBondContact NH2-OD1 3.06Å; R723-D728 IonicContact NH2-OD2 2.87Å; R723-D728 PolarHBondContact NH2-OD2 3.22Å; Y725-D728 PolarHBondContact O-N 2.8Å; Y725-D728 VanDerWaalsContact O-N 3.11Å; M726-D728 VanDerWaalsContact C-N 3.31Å; D728-Y730 PolarHBondContact O-N 3.02Å; D728-N731 PolarHBondContact O-N 2.75Å; D728-N731 PolarHBondContact O-OD1 3.42Å
729H91.2Very high92.2Very high20 Ų2012.6 Ų12.69%0.0937%0.066CC..Hα-helixtrans-55.8-33.7174.1-179.170.7000112.8L10 P11 H32 A34 Y725 M726L10-H729 WeakPolarHBondContact CD2-ND1 3.32Å; P11-H729 HydrophobicContact CG-CB 4.3Å; H32-H729 PolarHBondContact CD2-O 3.37Å; H32-H729 VanDerWaalsContact CD2-O 3.32Å; H32-H729 PolarHBondContact NE2-O 3.05Å; A34-H729 WeakPolarHBondContact CB-NE2 3.31Å; A34-H729 WeakPolarHBondContact CB-O 3.46Å; Y725-H729 PolarHBondContact O-N 2.92Å; M726-H729 HydrophobicContact SD-CB 4.31Å
730Y91.6Very high92.4Very high8 Ų813 Ų133%0.0317%0.067CC..THydrogen-bonded Turntrans-97.59.6176.8-69.3-65.7000114.2A34 V35 L38 V669 F673 M726 D728 L732A34-Y730 HydrophobicContact CB-CD1 4.07Å; A34-Y730 HydrophobicContact CB-CE1 4.13Å; A34-Y730 WeakPolarHBondContact O-CE1 3.28Å; V35-Y730 VanDerWaalsContact CG2-O 3.31Å; V35-Y730 WeakPolarHBondContact CG2-O 3.26Å; L38-Y730 HydrophobicContact CD1-CD1 4.11Å; L38-Y730 HydrophobicContact CD1-CE1 4.23Å; L38-Y730 HydrophobicContact CD2-CE1 3.81Å; L38-Y730 HydrophobicContact CG-CD1 4.46Å; L38-Y730 HydrophobicContact CG-CE1 4.13Å; V669-Y730 HydrophobicContact CB-CE2 4.39Å; V669-Y730 HydrophobicContact CG1-CD2 3.88Å; V669-Y730 HydrophobicContact CG1-CE2 3.7Å; V669-Y730 HydrophobicContact CG1-CG 4.42Å; V669-Y730 HydrophobicContact CG2-CE2 4.16Å; F673-Y730 AromaticContact CE1-CD2 3.95Å; F673-Y730 HydrophobicContact CE1-CD2 3.95Å; F673-Y730 HydrophobicContact CZ-CD2 4.01Å; M726-Y730 HydrophobicContact CE-CE2 3.67Å; M726-Y730 VanDerWaalsContact O-CD2 3.24Å; M726-Y730 WeakPolarHBondContact O-CD2 3.43Å; M726-Y730 PolarHBondContact O-N 3.04Å; D728-Y730 PolarHBondContact O-N 3.02Å; Y730-L732 VanDerWaalsContact C-N 3.27Å; Y730-L732 VanDerWaalsContact CB-CD2 3.48Å; Y730-L732 WeakPolarHBondContact O-CD2 3.13Å; Y730-L732 PolarHBondContact O-N 3.22Å
731N89.6Confident92.6Very high25 Ų2513 Ų1313%0.1347%0.067CC..THydrogen-bonded Turntrans49.242.7-178.4-65.8-29.9000113.7H32 Y727 D728 D733 N734H32-N731 WeakPolarHBondContact CB-ND2 3.31Å; H32-N731 PolarHBondContact CD2-ND2 3.41Å; Y727-N731 PolarHBondContact O-N 3.48Å; D728-N731 PolarHBondContact O-N 2.75Å; D728-N731 PolarHBondContact O-OD1 3.42Å; N731-D733 PolarHBondContact O-N 2.97Å; N731-D733 VanDerWaalsContact O-N 3.14Å; N731-N734 PolarHBondContact O-N 3.13Å; N731-N734 VanDerWaalsContact O-N 3.16Å
732L90Very high92.7Very high1 Ų113.4 Ų13.41%0.0057%0.07CC..G310 helixtrans-65.8-15.2-179.7-93.5-77.2000113.2F462 I463 F673 Y727 Y730 N734 Y735F462-L732 HydrophobicContact CD1-CD1 3.87Å; F462-L732 HydrophobicContact CD1-CD2 4.38Å; F462-L732 HydrophobicContact CE1-CD2 4.25Å; I463-L732 HydrophobicContact CG1-CD1 4.13Å; F673-L732 HydrophobicContact CE1-CD2 4.4Å; F673-L732 HydrophobicContact CE1-CG 4.39Å; F673-L732 HydrophobicContact CE2-CD1 4.26Å; F673-L732 HydrophobicContact CE2-CD2 4.17Å; F673-L732 HydrophobicContact CE2-CG 4Å; F673-L732 HydrophobicContact CZ-CD2 3.68Å; F673-L732 HydrophobicContact CZ-CG 3.83Å; Y727-L732 HydrophobicContact CD1-CB 3.8Å; Y727-L732 HydrophobicContact CD2-CB 3.81Å; Y727-L732 HydrophobicContact CD2-CG 4.3Å; Y727-L732 HydrophobicContact CE1-CB 3.54Å; Y727-L732 HydrophobicContact CE2-CB 3.55Å; Y727-L732 HydrophobicContact CE2-CG 4.19Å; Y727-L732 HydrophobicContact CG-CB 3.93Å; Y727-L732 VanDerWaalsContact CZ-CB 3.41Å; Y727-L732 PolarHBondContact O-N 2.89Å; Y727-L732 VanDerWaalsContact O-N 3.14Å; Y730-L732 VanDerWaalsContact C-N 3.27Å; Y730-L732 VanDerWaalsContact CB-CD2 3.48Å; Y730-L732 WeakPolarHBondContact O-CD2 3.13Å; Y730-L732 PolarHBondContact O-N 3.22Å; L732-N734 PolarHBondContact O-N 3.47Å; L732-Y735 CarbonylContact O-C 3.53Å; L732-Y735 WeakPolarHBondContact O-CA 3.43Å; L732-Y735 PolarHBondContact O-N 3.25Å
733D89.6Confident92.8Very high20 Ų2013.4 Ų13.411%0.1077%0.07CC..G310 helixtrans-57.4-24.3170.7-84.1-29.2000114.2L19 S719 R723 N731 Y735 P736L19-D733 HydrophobicContact CD2-CB 4.11Å; S719-D733 VanDerWaalsContact CB-OD1 3.27Å; S719-D733 WeakPolarHBondContact CB-OD1 3.46Å; S719-D733 PolarHBondContact OG-OD1 2.88Å; R723-D733 IonicContact CZ-OD1 3.35Å; R723-D733 IonicContact CZ-OD2 3.39Å; R723-D733 IonicContact NH1-OD1 2.78Å; R723-D733 PolarHBondContact NH1-OD1 2.89Å; R723-D733 IonicContact NH1-OD2 3.53Å; R723-D733 PolarHBondContact NH1-OD2 3.25Å; R723-D733 IonicContact NH2-OD2 3.74Å; R723-D733 PolarHBondContact NH2-OD2 3.4Å; R723-D733 VanDerWaalsContact NH2-OD2 3.1Å; N731-D733 PolarHBondContact O-N 2.97Å; N731-D733 VanDerWaalsContact O-N 3.14Å; D733-Y735 VanDerWaalsContact C-N 3.26Å; D733-P736 WeakPolarHBondContact O-CD 3.49Å
734N89.3Confident93Very high47 Ų4713.4 Ų13.425%0.2517%0.07SC..G310 helixtrans-71.8-24.4172.6-67.4-24.2000112H701 N731 L732 P736H701-N734 PolarHBondContact CE1-O 3.33Å; H701-N734 PolarHBondContact NE2-O 2.86Å; N731-N734 PolarHBondContact O-N 3.13Å; N731-N734 VanDerWaalsContact O-N 3.16Å; L732-N734 PolarHBondContact O-N 3.47Å; N734-P736 VanDerWaalsContact C-CD 3.41Å
735Y92.1Very high93.1Very high14 Ų1414.4 Ų14.46%0.0558%0.076CC..SBendtrans-130.657.7-174.8-52.3-70.1000112.6F462 H701 L732 D733F462-Y735 VanDerWaalsContact CB-CB 3.45Å; F462-Y735 HydrophobicContact CB-CD1 4.41Å; F462-Y735 HydrophobicContact CB-CD2 4.13Å; F462-Y735 HydrophobicContact CB-CG 3.75Å; F462-Y735 AromaticContact CD1-CD2 3.6Å; F462-Y735 HydrophobicContact CD1-CD2 3.6Å; F462-Y735 HydrophobicContact CD1-CE2 4.35Å; F462-Y735 HydrophobicContact CD1-CG 4.11Å; F462-Y735 HydrophobicContact CD2-CD1 4.4Å; F462-Y735 AromaticContact CD2-CD2 3.67Å; F462-Y735 HydrophobicContact CD2-CD2 3.67Å; F462-Y735 AromaticContact CD2-CE2 3.86Å; F462-Y735 HydrophobicContact CD2-CE2 3.86Å; F462-Y735 AromaticContact CD2-CG 3.95Å; F462-Y735 HydrophobicContact CD2-CG 3.95Å; F462-Y735 AromaticContact CE1-CD2 3.83Å; F462-Y735 HydrophobicContact CE1-CD2 3.83Å; F462-Y735 HydrophobicContact CE1-CE2 4.21Å; F462-Y735 AromaticContact CE2-CD2 3.9Å; F462-Y735 HydrophobicContact CE2-CD2 3.9Å; F462-Y735 AromaticContact CE2-CE2 3.71Å; F462-Y735 HydrophobicContact CE2-CE2 3.71Å; F462-Y735 HydrophobicContact CG-CD1 4.46Å; F462-Y735 AromaticContact CG-CD2 3.52Å; F462-Y735 HydrophobicContact CG-CD2 3.52Å; F462-Y735 HydrophobicContact CG-CE2 4.18Å; F462-Y735 AromaticContact CG-CG 3.68Å; F462-Y735 HydrophobicContact CG-CG 3.68Å; F462-Y735 AromaticContact CZ-CD2 3.97Å; F462-Y735 HydrophobicContact CZ-CD2 3.97Å; F462-Y735 AromaticContact CZ-CE2 3.89Å; F462-Y735 HydrophobicContact CZ-CE2 3.89Å; H701-Y735 AromaticContact CD2-CE1 3.7Å; H701-Y735 AromaticContact NE2-CE1 3.65Å; L732-Y735 CarbonylContact O-C 3.53Å; L732-Y735 WeakPolarHBondContact O-CA 3.43Å; L732-Y735 PolarHBondContact O-N 3.25Å; D733-Y735 VanDerWaalsContact C-N 3.26Å
736P91.3Very high93.3Very high15 Ų1513.9 Ų13.910%0.0978%0.075CC..  trans-65.5148.7-175.829.3-36.1000111.3F698 P717 Q718 D733 N734F698-P736 HydrophobicContact CB-CG 4.48Å; F698-P736 PolarHBondContact N-O 3.11Å; P717-P736 HydrophobicContact CB-CB 3.85Å; P717-P736 HydrophobicContact CB-CG 3.6Å; P717-P736 HydrophobicContact CG-CB 4.4Å; P717-P736 HydrophobicContact CG-CG 3.59Å; Q718-P736 WeakPolarHBondContact O-CB 3.5Å; D733-P736 WeakPolarHBondContact O-CD 3.49Å; N734-P736 VanDerWaalsContact C-CD 3.41Å
737S91.9Very high93.4Very high5 Ų516.6 Ų16.64%0.0359%0.094CC..  trans-122.69.6-164.586.20000114.8T695 Y997 Q999T695-S737 PolarHBondContact OG1-O 3.23Å; S737-Y997 PolarHBondContact N-OH 3.23Å; S737-Q999 PolarHBondContact OG-NE2 3.12Å; S737-Q999 VanDerWaalsContact OG-NE2 3.13Å
738G94.3Very high93.5Very high1 Ų118 Ų181%0.0110%0.1CC..  trans-177-168.7-166.700000112.3P717 Q718 Y997 Y998P717-G738 CarbonylContact C-O 3.6Å; P717-G738 WeakPolarHBondContact CA-O 3.44Å; Q718-G738 PolarHBondContact N-O 3.01Å; G738-Y997 VanDerWaalsContact CA-CZ 3.49Å; G738-Y997 WeakPolarHBondContact CA-OH 3.23Å; G738-Y997 PolarHBondContact N-OH 2.78Å; G738-Y998 CarbonylContact C-O 3.52Å; G738-Y998 WeakPolarHBondContact CA-O 3.37Å
739T95.1Very high93.6Very high8 Ų818.4 Ų18.45%0.04910%0.102CC..EExtended strand (participates in β ladder)trans-142.1141.7-176.150.90000109.8L714 T716 Q718 Y998L714-T739 HydrophobicContact CD2-CG2 4.32Å; T716-T739 WeakPolarHBondContact O-CG2 3.49Å; Q718-T739 HydrophobicContact CG-CG2 4.46Å; T739-Y998 PolarHBondContact N-O 3.13Å; T739-Y998 PolarHBondContact O-N 3.42Å
740N96.6Very high93.6Very high28 Ų2819.8 Ų19.815%0.1512%0.122CC..EExtended strand (participates in β ladder)trans-72.9128.1169.4-52.6-78.8000108Q718 S719 L721 V995 Y997Q718-N740 PolarHBondContact OE1-ND2 3.43Å; S719-N740 PolarHBondContact O-ND2 2.79Å; L721-N740 PolarHBondContact N-OD1 3.46Å; N740-V995 HydrophobicContact CB-CG1 3.8Å; N740-Y997 WeakPolarHBondContact OD1-CD2 3.39Å
741A96.9Very high93.8Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-122.2143.2-179.400000109.7V743 F768 D911 I912 V995 V996A741-V743 HydrophobicContact CB-CG2 4.35Å; A741-V743 PolarHBondContact O-N 3.42Å; A741-F768 HydrophobicContact CB-CE2 3.89Å; A741-F768 HydrophobicContact CB-CZ 3.95Å; A741-D911 HydrophobicContact CB-CB 4.19Å; A741-I912 HydrophobicContact CB-CD1 3.97Å; A741-I912 HydrophobicContact CB-CG1 4.33Å; A741-V995 WeakPolarHBondContact O-CA 3.19Å; A741-V996 PolarHBondContact N-O 3.4Å; A741-V996 PolarHBondContact O-N 3.2Å
742V97.5Very high93.8Very high38 Ų3823.9 Ų23.923%0.2314%0.137CC..EExtended strand (participates in β ladder)trans-76.8116.2168-177.30000108.1P910 D911 I912 I993 G994V742-P910 HydrophobicContact CG1-CB 4.22Å; V742-D911 PolarHBondContact N-OD2 3.28Å; V742-D911 PolarHBondContact O-N 3.2Å; V742-I912 PolarHBondContact O-N 3.26Å; V742-I912 VanDerWaalsContact O-N 3.09Å; V742-I993 HydrophobicContact CG1-CD1 3.87Å; V742-I993 HydrophobicContact CG1-CG1 3.9Å; V742-G994 WeakPolarHBondContact CA-O 3.48Å
743V97.1Very high93.8Very high2 Ų229.8 Ų29.81%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-113.4123.5-175.8-174.20000109.5A741 I912 F914 M927 I993 G994 V996 Y998A741-V743 HydrophobicContact CB-CG2 4.35Å; A741-V743 PolarHBondContact O-N 3.42Å; V743-I912 WeakPolarHBondContact CA-O 3.46Å; V743-I912 HydrophobicContact CG2-CB 4.29Å; V743-F914 HydrophobicContact CG1-CB 3.96Å; V743-M927 HydrophobicContact CG1-CE 4.41Å; V743-I993 WeakPolarHBondContact O-CA 3.47Å; V743-G994 PolarHBondContact N-O 2.96Å; V743-G994 PolarHBondContact O-N 3.04Å; V743-G994 VanDerWaalsContact O-N 3.14Å; V743-V996 HydrophobicContact CB-CG2 4.37Å; V743-V996 HydrophobicContact CG2-CB 3.88Å; V743-V996 HydrophobicContact CG2-CG2 4.17Å; V743-Y998 HydrophobicContact CG2-CD2 4.21Å; V743-Y998 HydrophobicContact CG2-CE2 3.73Å
744A97Very high93.5Very high0 Ų036.5 Ų36.50%020%0.197CC..EExtended strand (participates in β ladder)trans-101127.5168.600000109.7I746 P910 I912 L913 F914 I991 I993A744-I746 HydrophobicContact CB-CG2 4.16Å; A744-I746 PolarHBondContact O-N 3.25Å; A744-P910 HydrophobicContact CB-CB 3.88Å; A744-P910 HydrophobicContact CB-CG 3.86Å; A744-I912 PolarHBondContact N-O 2.74Å; A744-L913 HydrophobicContact CB-CD2 3.94Å; A744-F914 PolarHBondContact O-N 2.97Å; A744-I991 HydrophobicContact CB-CG2 4.44Å; A744-I993 HydrophobicContact CB-CD1 4.37Å; A744-I993 HydrophobicContact CB-CG1 4.28Å
745V96.1Very high93.2Very high22 Ų2237.6 Ų37.613%0.13320%0.202CC..EExtended strand (participates in β ladder)trans-90.991.9175.2-179.20000108.5F914 P916 F919 F992V745-F914 CarbonylContact C-O 3.25Å; V745-F914 VanDerWaalsContact CA-O 3.27Å; V745-F914 WeakPolarHBondContact CA-O 3.47Å; V745-P916 HydrophobicContact CG1-CB 3.87Å; V745-F919 HydrophobicContact CB-CE2 4.44Å; V745-F919 HydrophobicContact CG1-CD2 4.13Å; V745-F919 HydrophobicContact CG1-CE2 3.61Å; V745-F919 HydrophobicContact CG2-CE2 3.89Å; V745-F919 HydrophobicContact CG2-CZ 4.17Å; V745-F992 HydrophobicContact CB-CB 4.37Å; V745-F992 HydrophobicContact CB-CD1 4.38Å; V745-F992 HydrophobicContact CG2-CD1 3.98Å; V745-F992 PolarHBondContact N-O 3.17Å
746I96.1Very high93.2Very high13 Ų1337.7 Ų37.77%0.06721%0.206CC..  trans-149.2146.2-172.7-170.8173.9000111A744 Y748 L913 F914 P916 L987 I991A744-I746 HydrophobicContact CB-CG2 4.16Å; A744-I746 PolarHBondContact O-N 3.25Å; I746-Y748 HydrophobicContact CD1-CD2 4.38Å; I746-L913 HydrophobicContact CG2-CB 4.4Å; I746-L913 HydrophobicContact CG2-CD2 3.91Å; I746-F914 PolarHBondContact N-O 3.17Å; I746-P916 VanDerWaalsContact C-CD 3.4Å; I746-L987 HydrophobicContact CD1-CD1 3.64Å; I746-I991 HydrophobicContact CB-CG2 3.85Å; I746-I991 HydrophobicContact CD1-CD1 3.76Å; I746-I991 HydrophobicContact CD1-CG1 3.93Å; I746-I991 HydrophobicContact CD1-CG2 4.31Å; I746-I991 HydrophobicContact CG1-CD1 4Å; I746-I991 HydrophobicContact CG1-CG2 4.39Å
747S94.8Very high93.4Very high59 Ų5937 Ų3741%0.41320%0.201SC..  trans-97.9100.4162.8-63.50000108.4N915 P916 H917S747-N915 PolarHBondContact OG-OD1 2.85Å; S747-P916 WeakPolarHBondContact OG-CD 2.97Å; S747-P916 WeakPolarHBondContact OG-CG 3.22Å; S747-H917 PolarHBondContact OG-ND1 3.16Å
748Y94.6Very high93.6Very high42 Ų4236.7 Ų36.717%0.16520%0.2CC..  trans-122-51.1-174.3-178.3-106.4000112.5I746 D900 P902 L913 S980 G981 L982I746-Y748 HydrophobicContact CD1-CD2 4.38Å; Y748-D900 WeakPolarHBondContact CE1-O 3.39Å; Y748-P902 HydrophobicContact CD1-CG 4.43Å; Y748-L913 HydrophobicContact CD1-CD1 4.41Å; Y748-S980 PolarHBondContact OH-OG 2.67Å; Y748-G981 PolarHBondContact OH-N 3.46Å; Y748-L982 HydrophobicContact CE1-CD1 4.38Å; Y748-L982 WeakPolarHBondContact OH-CG 3.39Å; Y748-L982 PolarHBondContact OH-N 2.54Å
749T93.1Very high93.7Very high18 Ų1836.7 Ų36.711%0.1120%0.199CC..SBendtrans-86.1-21.9-168.564.50000114.1Y751 D752 I758 W896 L913T749-Y751 WeakPolarHBondContact O-CD2 3.17Å; T749-Y751 PolarHBondContact O-N 2.88Å; T749-Y751 PolarHBondContact OG1-N 3.06Å; T749-D752 PolarHBondContact OG1-OD2 2.96Å; T749-I758 HydrophobicContact CG2-CG1 4.17Å; T749-I758 WeakPolarHBondContact OG1-CG1 3.4Å; T749-W896 HydrophobicContact CG2-CD2 3.72Å; T749-W896 HydrophobicContact CG2-CE3 3.85Å; T749-W896 HydrophobicContact CG2-CG 4.28Å; T749-W896 HydrophobicContact CG2-CH2 4.19Å; T749-W896 HydrophobicContact CG2-CZ2 4.06Å; T749-W896 HydrophobicContact CG2-CZ3 4.08Å; T749-L913 HydrophobicContact CG2-CD1 3.78Å
750G92.1Very high93.9Very high50 Ų5036.4 Ų36.452%0.51520%0.197SC..SBendtrans74-8.8-168.900000114.4D752G750-D752 PolarHBondContact N-OD1 3.49Å
751Y94Very high93.9Very high118 Ų11839.1 Ų39.146%0.46321%0.208SC..SBendtrans-94.21.3177.5-73-82.7000113.1T749 A756 S893 R894 W896T749-Y751 WeakPolarHBondContact O-CD2 3.17Å; T749-Y751 PolarHBondContact O-N 2.88Å; T749-Y751 PolarHBondContact OG1-N 3.06Å; Y751-A756 WeakPolarHBondContact O-CB 3.41Å; Y751-S893 WeakPolarHBondContact O-CB 3.33Å; Y751-S893 PolarHBondContact O-OG 3.24Å; Y751-R894 PolarHBondContact OH-NH1 2.69Å; Y751-W896 AromaticContact CD2-CZ3 3.93Å; Y751-W896 HydrophobicContact CD2-CZ3 3.93Å; Y751-W896 HydrophobicContact CE2-CZ3 4.27Å
752D90.9Very high93.9Very high1 Ų140.5 Ų40.51%0.00522%0.217CC..  trans-103.313-179.645.315000112.8T749 G750 I758 N915T749-D752 PolarHBondContact OG1-OD2 2.96Å; G750-D752 PolarHBondContact N-OD1 3.49Å; D752-I758 HydrophobicContact CB-CG1 4.06Å; D752-N915 HydrophobicContact CB-CB 4.27Å; D752-N915 WeakPolarHBondContact O-CB 3.29Å; D752-N915 PolarHBondContact O-ND2 3.47Å
753M89.3Confident93.8Very high125 Ų12539.3 Ų39.362%0.61621%0.211SC*.SBendtrans-68153.4175.8-63.8-174.773.300112.4D755 A756M753-D755 PolarHBondContact O-N 2.7Å; M753-A756 VanDerWaalsContact O-CB 3.25Å; M753-A756 WeakPolarHBondContact O-CB 3.18Å; M753-A756 PolarHBondContact O-N 3.15Å
754E83.4Confident93.8Very high161 Ų16142 Ų4275%0.75222%0.221SC*.THydrogen-bonded Turntrans60.1-125.5-176.9-58.2-66.8167.900112.4A756E754-A756 VanDerWaalsContact C-N 3.28Å
755D82.9Confident93.8Very high69 Ų6947.4 Ų47.437%0.36925%0.246SC..THydrogen-bonded Turntrans-92.616.7-179.5-67.2-4.3000112M753 G890 I891 R922M753-D755 PolarHBondContact O-N 2.7Å; D755-G890 CarbonylContact O-C 3.37Å; D755-G890 WeakPolarHBondContact O-CA 3.33Å; D755-I891 PolarHBondContact O-N 2.99Å; D755-R922 IonicContact OD1-CZ 2.9Å; D755-R922 IonicContact OD1-NH1 2.95Å; D755-R922 PolarHBondContact OD1-NH1 2.97Å; D755-R922 IonicContact OD1-NH2 3.33Å; D755-R922 PolarHBondContact OD1-NH2 2.78Å; D755-R922 IonicContact OD2-NH2 3.82Å
756A92.6Very high93.8Very high16 Ų1656.5 Ų56.513%0.13228%0.278CS..EExtended strand (participates in β ladder)trans-82.7147.6178.400000111.6Y751 M753 E754 I891Y751-A756 WeakPolarHBondContact O-CB 3.41Å; M753-A756 VanDerWaalsContact O-CB 3.25Å; M753-A756 WeakPolarHBondContact O-CB 3.18Å; M753-A756 PolarHBondContact O-N 3.15Å; E754-A756 VanDerWaalsContact C-N 3.28Å; A756-I891 WeakPolarHBondContact CA-O 3.28Å
757M94.3Very high93.7Very high0 Ų056.5 Ų56.50%028%0.282CS..EExtended strand (participates in β ladder)trans-133.3155.1166.970.1174.973.900110.3F882 I891 S893 I912 Y998M757-F882 HydrophobicContact CE-CB 3.66Å; M757-F882 HydrophobicContact SD-CB 3.61Å; M757-F882 HydrophobicContact SD-CD2 4.47Å; M757-F882 HydrophobicContact SD-CG 4.22Å; M757-I891 PolarHBondContact N-O 3.17Å; M757-S893 PolarHBondContact O-N 3Å; M757-I912 HydrophobicContact CB-CG2 4.33Å; M757-I912 HydrophobicContact SD-CD1 4.47Å; M757-I912 HydrophobicContact SD-CG2 4.2Å; M757-Y998 HydrophobicContact CE-CE1 3.78Å; M757-Y998 HydrophobicContact SD-CE1 3.94Å
758I96.9Very high93.7Very high0 Ų054.8 Ų54.80%027%0.267CS..EExtended strand (participates in β ladder)trans-106.1139.2176.8-57.5-64.2000108.3T749 D752 R894 W896 I912 L913T749-I758 HydrophobicContact CG2-CG1 4.17Å; T749-I758 WeakPolarHBondContact OG1-CG1 3.4Å; D752-I758 HydrophobicContact CB-CG1 4.06Å; I758-R894 HydrophobicContact CD1-CB 3.86Å; I758-W896 HydrophobicContact CG2-CB 3.39Å; I758-W896 HydrophobicContact CG2-CG 4.21Å; I758-I912 VanDerWaalsContact O-CA 3.27Å; I758-I912 WeakPolarHBondContact O-CA 3.29Å; I758-L913 HydrophobicContact CB-CB 4.03Å; I758-L913 HydrophobicContact CB-CD1 4.31Å; I758-L913 HydrophobicContact CB-CG 4.27Å; I758-L913 HydrophobicContact CG2-CD1 4.3Å; I758-L913 HydrophobicContact CG2-CG 4.48Å; I758-L913 PolarHBondContact N-O 3.01Å; I758-L913 PolarHBondContact O-N 3.1Å
759V97.3Very high93.7Very high1 Ų153 Ų531%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-115.8137.7172.4170.80000108.6K761 W764 F768 L892 R894 L895 W896 D911 I912V759-K761 PolarHBondContact O-N 2.93Å; V759-W764 HydrophobicContact CG1-CB 4.45Å; V759-F768 HydrophobicContact CG1-CD1 3.98Å; V759-F768 HydrophobicContact CG1-CE1 4.25Å; V759-L892 HydrophobicContact CB-CD1 3.66Å; V759-L892 HydrophobicContact CG2-CD1 3.64Å; V759-R894 PolarHBondContact N-O 3.24Å; V759-L895 HydrophobicContact CB-CD2 4.11Å; V759-L895 HydrophobicContact CG1-CD2 4.13Å; V759-L895 WeakPolarHBondContact O-CA 3.45Å; V759-W896 PolarHBondContact O-N 3.12Å; V759-D911 CarbonylContact C-O 3.56Å; V759-D911 WeakPolarHBondContact CA-O 3.33Å; V759-I912 HydrophobicContact CG2-CG1 4.32Å
760N97.6Very high93.8Very high1 Ų153.8 Ų53.81%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-62.8123.3174.5-172.5-28.7000110.3S762 S763 W764 M901 S909 P910 D911N760-S762 VanDerWaalsContact C-N 3.32Å; N760-S762 PolarHBondContact O-N 3.24Å; N760-S762 PolarHBondContact OD1-N 2.76Å; N760-S763 PolarHBondContact O-N 3.38Å; N760-W764 PolarHBondContact O-N 3.4Å; N760-M901 HydrophobicContact CB-CE 4.12Å; N760-S909 PolarHBondContact ND2-OG 2.9Å; N760-P910 WeakPolarHBondContact CB-O 3.28Å; N760-P910 PolarHBondContact ND2-O 3.21Å; N760-D911 PolarHBondContact N-O 3.13Å
761K97.2Very high93.8Very high86 Ų8651.6 Ų51.637%0.37424%0.24SC..Hα-helixtrans-60.9-40.2-179.2-173.6-173.6175.2-156.20111.6V759 W764 E765 L895 W896V759-K761 PolarHBondContact O-N 2.93Å; K761-W764 WeakPolarHBondContact O-CB 3.43Å; K761-W764 PolarHBondContact O-N 2.98Å; K761-E765 WeakPolarHBondContact CE-OE1 3.46Å; K761-E765 IonicContact NZ-OE1 2.84Å; K761-E765 WeakPolarHBondContact O-CG 3.39Å; K761-E765 PolarHBondContact O-N 3.27Å; K761-L895 HydrophobicContact CB-CB 4.22Å; K761-L895 HydrophobicContact CG-CB 4.36Å; K761-W896 VanDerWaalsContact CB-O 3.23Å; K761-W896 WeakPolarHBondContact CB-O 3.4Å; K761-W896 PolarHBondContact N-O 3.13Å
762S97.2Very high93.8Very high28 Ų2846.6 Ų46.620%0.19622%0.222CC..Hα-helixtrans-70.7-36179.4-62.90000112.2N760 W764 E765 R766 A898N760-S762 VanDerWaalsContact C-N 3.32Å; N760-S762 PolarHBondContact O-N 3.24Å; N760-S762 PolarHBondContact OD1-N 2.76Å; S762-W764 VanDerWaalsContact C-N 3.31Å; S762-E765 PolarHBondContact O-N 3.04Å; S762-R766 WeakPolarHBondContact O-CD 3.47Å; S762-R766 WeakPolarHBondContact O-CG 3.35Å; S762-R766 PolarHBondContact O-N 2.67Å; S762-R766 VanDerWaalsContact O-N 3.07Å; S762-A898 VanDerWaalsContact OG-CB 3.25Å; S762-A898 WeakPolarHBondContact OG-CB 3.09Å
763S96.3Very high94Very high14 Ų1446.5 Ų46.510%0.09822%0.222CC..Hα-helixtrans-62.9-40.8171.4-57.30000111N760 R766 G767 F768 D911N760-S763 PolarHBondContact O-N 3.38Å; S763-R766 PolarHBondContact O-N 3.27Å; S763-G767 PolarHBondContact O-N 3.06Å; S763-F768 WeakPolarHBondContact O-CB 3.46Å; S763-F768 PolarHBondContact O-N 3.43Å; S763-D911 VanDerWaalsContact CB-OD1 3.24Å; S763-D911 WeakPolarHBondContact CB-OD1 3.3Å; S763-D911 PolarHBondContact OG-OD1 2.85Å
764W96Very high94.2Very high59 Ų5941.1 Ų41.122%0.22320%0.195CC..Hα-helixtrans-61.2-47.7173.3175.288.6000112.6V759 N760 K761 S762 R766 G767 H770 N875 P876 L895V759-W764 HydrophobicContact CG1-CB 4.45Å; N760-W764 PolarHBondContact O-N 3.4Å; K761-W764 WeakPolarHBondContact O-CB 3.43Å; K761-W764 PolarHBondContact O-N 2.98Å; S762-W764 VanDerWaalsContact C-N 3.31Å; W764-R766 PolarHBondContact O-N 3.02Å; W764-G767 WeakPolarHBondContact O-CA 3.21Å; W764-G767 PolarHBondContact O-N 3.12Å; W764-H770 AromaticContact NE1-NE2 3.85Å; W764-H770 PolarHBondContact O-NE2 2.78Å; W764-N875 HydrophobicContact CZ2-CB 4.28Å; W764-P876 PolarHBondContact NE1-O 3.02Å; W764-L895 HydrophobicContact CB-CD2 4.01Å; W764-L895 HydrophobicContact CD2-CD1 3.93Å; W764-L895 HydrophobicContact CD2-CD2 4.5Å; W764-L895 HydrophobicContact CE3-CD1 4.16Å; W764-L895 HydrophobicContact CG-CD1 4.23Å; W764-L895 HydrophobicContact CG-CD2 3.94Å
765E96.5Very high94.7Very high112 Ų11235.8 Ų35.852%0.52317%0.169SC..Hα-helixtrans-60.1-31.8177.3-72.4169.8172.200112.5K761 S762 G767K761-E765 WeakPolarHBondContact CE-OE1 3.46Å; K761-E765 IonicContact NZ-OE1 2.84Å; K761-E765 WeakPolarHBondContact O-CG 3.39Å; K761-E765 PolarHBondContact O-N 3.27Å; S762-E765 PolarHBondContact O-N 3.04Å; E765-G767 PolarHBondContact O-N 2.94Å
766R96.1Very high95.1Very high213 Ų21333.2 Ų33.280%0.80416%0.156SC*.THydrogen-bonded Turntrans-78.2-1.3174.8-66.6169.3-168.6177.44113.9S762 S763 W764S762-R766 WeakPolarHBondContact O-CD 3.47Å; S762-R766 WeakPolarHBondContact O-CG 3.35Å; S762-R766 PolarHBondContact O-N 2.67Å; S762-R766 VanDerWaalsContact O-N 3.07Å; S763-R766 PolarHBondContact O-N 3.27Å; W764-R766 PolarHBondContact O-N 3.02Å
767G94.8Very high95Very high14 Ų1436.3 Ų36.314%0.14417%0.168CC..THydrogen-bonded Turntrans103.915.7173.400000115.6T716 S763 W764 E765 A769 H770T716-G767 PolarHBondContact OG1-O 3.5Å; S763-G767 PolarHBondContact O-N 3.06Å; W764-G767 WeakPolarHBondContact O-CA 3.21Å; W764-G767 PolarHBondContact O-N 3.12Å; E765-G767 PolarHBondContact O-N 2.94Å; G767-A769 PolarHBondContact O-N 3.2Å; G767-A769 VanDerWaalsContact O-N 3.13Å; G767-H770 PolarHBondContact O-N 3.22Å
768F95.3Very high94.8Very high23 Ų2338.3 Ų38.310%0.10118%0.178CC..THydrogen-bonded Turntrans-54.6119.4176.6-178.5-100.5000111.4A741 V759 S763 H770 F882 D911 I912A741-F768 HydrophobicContact CB-CE2 3.89Å; A741-F768 HydrophobicContact CB-CZ 3.95Å; V759-F768 HydrophobicContact CG1-CD1 3.98Å; V759-F768 HydrophobicContact CG1-CE1 4.25Å; S763-F768 WeakPolarHBondContact O-CB 3.46Å; S763-F768 PolarHBondContact O-N 3.43Å; F768-H770 PolarHBondContact O-N 3.14Å; F768-H770 VanDerWaalsContact O-N 3.13Å; F768-F882 HydrophobicContact CE1-CE1 4.35Å; F768-D911 HydrophobicContact CE2-CB 4.46Å; F768-I912 HydrophobicContact CE1-CD1 4.41Å; F768-I912 HydrophobicContact CZ-CD1 4.02Å; F768-I912 HydrophobicContact CZ-CG1 4.33Å
769A93.3Very high94.5Very high3 Ų338.3 Ų38.33%0.02518%0.178CC..THydrogen-bonded Turntrans53.927.118000000116L714 G767 P876 F882 R1000L714-A769 HydrophobicContact CD1-CB 4.49Å; G767-A769 PolarHBondContact O-N 3.2Å; G767-A769 VanDerWaalsContact O-N 3.13Å; A769-P876 HydrophobicContact CB-CG 4.14Å; A769-P876 WeakPolarHBondContact O-CG 3.37Å; A769-F882 HydrophobicContact CB-CE1 3.68Å; A769-F882 HydrophobicContact CB-CZ 4.18Å; A769-R1000 HydrophobicContact CB-CB 4.45Å; A769-R1000 WeakPolarHBondContact O-CD 3.24Å; A769-R1000 PolarHBondContact O-NH1 3.36Å
770H95.3Very high94Very high36 Ų3638.9 Ų38.917%0.16718%0.181CC..  trans-63.7143.8172.3-81.5-161.4000111.7L714 Q715 W764 G767 F768 N875 P876L714-H770 WeakPolarHBondContact CD1-O 3.49Å; Q715-H770 HydrophobicContact CB-CB 4.48Å; Q715-H770 WeakPolarHBondContact CB-O 3.44Å; Q715-H770 PolarHBondContact N-O 2.81Å; W764-H770 AromaticContact NE1-NE2 3.85Å; W764-H770 PolarHBondContact O-NE2 2.78Å; G767-H770 PolarHBondContact O-N 3.22Å; F768-H770 PolarHBondContact O-N 3.14Å; F768-H770 VanDerWaalsContact O-N 3.13Å; H770-N875 VanDerWaalsContact CE1-CG 3.49Å; H770-N875 PolarHBondContact CE1-ND2 2.93Å; H770-N875 PolarHBondContact ND1-OD1 2.91Å; H770-P876 VanDerWaalsContact CD2-CD 3.43Å; H770-P876 WeakPolarHBondContact CD2-CD 3.36Å
771G93.7Very high93.4Very high3 Ų339 Ų393%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-154.4167.1-176.400000113R713 R874R713-G771 CarbonylContact O-C 3.57Å; R713-G771 WeakPolarHBondContact O-CA 3.44Å; G771-R874 CarbonylContact O-C 3.55Å; G771-R874 VanDerWaalsContact O-C 3.27Å; G771-R874 WeakPolarHBondContact O-CA 3.34Å; G771-R874 PolarHBondContact O-N 3.14Å; G771-R874 VanDerWaalsContact O-O 3.12Å
772S94Very high92.6Very high13 Ų1337.6 Ų37.69%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-132.7149.4178.8-69.20000110.8R713 V872R713-S772 PolarHBondContact N-O 2.9Å; R713-S772 PolarHBondContact O-N 3.33Å; S772-V872 WeakPolarHBondContact CA-O 3.46Å
773I93.8Very high91.6Very high0 Ų042.7 Ų42.70%021%0.207CC..EExtended strand (participates in β ladder)trans-108.7127.2171-59.9175000108.6K710 L711 Y712 K775 R871 V872 R874 M1004K710-I773 HydrophobicContact CD-CG2 4.24Å; K710-I773 HydrophobicContact CG-CG2 3.67Å; L711-I773 CarbonylContact O-C 3.59Å; L711-I773 VanDerWaalsContact O-CA 3.28Å; L711-I773 WeakPolarHBondContact O-CA 3.47Å; Y712-I773 HydrophobicContact CD1-CD1 4.06Å; Y712-I773 HydrophobicContact CD1-CG1 3.78Å; Y712-I773 HydrophobicContact CE1-CD1 3.83Å; Y712-I773 HydrophobicContact CE1-CG1 4.05Å; I773-K775 HydrophobicContact CG2-CG 3.94Å; I773-R871 CarbonylContact O-C 3.38Å; I773-R871 WeakPolarHBondContact O-CA 3.43Å; I773-V872 HydrophobicContact CB-CB 4.39Å; I773-V872 PolarHBondContact N-O 3.17Å; I773-V872 PolarHBondContact O-N 3.17Å; I773-R874 HydrophobicContact CD1-CG 3.69Å; I773-R874 HydrophobicContact CG1-CG 3.81Å; I773-M1004 HydrophobicContact CD1-CE 3.72Å; I773-M1004 HydrophobicContact CD1-SD 4.13Å; I773-M1004 HydrophobicContact CG1-CE 4.31Å
774Y94.1Very high90.5Very high11 Ų1146.7 Ų46.74%0.04322%0.223CC..EExtended strand (participates in β ladder)trans-97130.3170.8-63-103.9000108.5F703 K710 L711 R713 D849 V870 R871F703-Y774 HydrophobicContact CD2-CE1 4.12Å; F703-Y774 HydrophobicContact CE2-CE1 4.05Å; F703-Y774 AromaticContact CE2-CZ 3.86Å; K710-Y774 CarbonylContact C-O 3.58Å; K710-Y774 VanDerWaalsContact CA-O 3.25Å; K710-Y774 WeakPolarHBondContact CA-O 3.49Å; L711-Y774 PolarHBondContact N-O 3.1Å; L711-Y774 PolarHBondContact O-N 3.26Å; R713-Y774 HydrophobicContact CB-CD2 4.48Å; R713-Y774 HydrophobicContact CB-CE2 4.05Å; R713-Y774 PolarHBondContact NH1-OH 2.86Å; R713-Y774 VanDerWaalsContact NH1-OH 3.17Å; Y774-D849 WeakPolarHBondContact CE1-OD1 3.38Å; Y774-D849 WeakPolarHBondContact CE1-OD2 3.39Å; Y774-V870 CarbonylContact C-O 3.59Å; Y774-V870 WeakPolarHBondContact CA-O 3.4Å; Y774-R871 HydrophobicContact CD1-CB 4.19Å; Y774-R871 HydrophobicContact CD1-CG 4.32Å; Y774-R871 HydrophobicContact CE1-CB 4.11Å; Y774-R871 HydrophobicContact CE1-CG 3.96Å; Y774-R871 HydrophobicContact CE2-CG 4.38Å
775K92.9Very high89.5Confident50 Ų5045 Ų4522%0.21722%0.219CC..EExtended strand (participates in β ladder)trans-126.1133.7176.7-60.7178.2-170.1165.50108.7N709 I773 E844 T869 V870 V872N709-K775 WeakPolarHBondContact O-CA 3.44Å; I773-K775 HydrophobicContact CG2-CG 3.94Å; K775-E844 IonicContact NZ-OE2 3.76Å; K775-E844 PolarHBondContact NZ-OE2 2.93Å; K775-T869 CarbonylContact O-C 3.51Å; K775-T869 WeakPolarHBondContact O-CA 3.48Å; K775-V870 HydrophobicContact CB-CG2 4Å; K775-V870 PolarHBondContact N-O 2.94Å; K775-V870 PolarHBondContact O-N 3.24Å; K775-V872 HydrophobicContact CD-CG2 4.35Å
776T92.4Very high88.1Confident14 Ų1448.4 Ų48.49%0.08623%0.232CC..EExtended strand (participates in β ladder)trans-115.3121.1178.6-480000110.7R107 D708 N709 C867 I868 T869R107-T776 PolarHBondContact NH2-O 2.85Å; D708-T776 WeakPolarHBondContact O-CB 3.5Å; D708-T776 PolarHBondContact O-OG1 3.16Å; N709-T776 PolarHBondContact O-N 2.86Å; T776-C867 HydrophobicContact CG2-CB 4.07Å; T776-I868 WeakPolarHBondContact CA-O 3.36Å; T776-T869 PolarHBondContact OG1-OG1 3.36Å
777E90.7Very high86.6Confident82 Ų8242.3 Ų42.338%0.38324%0.235SC..EExtended strand (participates in β ladder)trans-99.4125.5171.4-170.2175.9155.400110.1V779 K784 F824 C867 I868E777-V779 HydrophobicContact CG-CG2 4.43Å; E777-K784 IonicContact OE1-NZ 3.93Å; E777-F824 HydrophobicContact CB-CE1 4.41Å; E777-F824 HydrophobicContact CB-CZ 4.44Å; E777-F824 HydrophobicContact CG-CE1 4.48Å; E777-F824 VanDerWaalsContact OE2-CE1 3.31Å; E777-F824 WeakPolarHBondContact OE2-CE1 3.31Å; E777-C867 WeakPolarHBondContact O-CA 3.19Å; E777-I868 PolarHBondContact N-O 3.39Å; E777-I868 PolarHBondContact O-N 2.87Å
778L89.9Confident85.3Confident42 Ų4246 Ų4622%0.2225%0.249CC..EExtended strand (participates in β ladder)trans-89.6119.6169.5174.569.8000108.8R107 C867R107-L778 HydrophobicContact CB-CD2 4.43Å; R107-L778 VanDerWaalsContact NH1-CB 3.35Å; L778-C867 VanDerWaalsContact CD1-SG 3.56Å
779V89.9Confident83.8Confident0 Ų051.5 Ų51.50%028%0.279CS..EExtended strand (participates in β ladder)trans-103.3107.4172.3-174.50000108.2E777 L781 K784 F793 Y825 R865 V866 I868E777-V779 HydrophobicContact CG-CG2 4.43Å; V779-L781 HydrophobicContact CG1-CD2 4.26Å; V779-K784 HydrophobicContact CG1-CD 4.42Å; V779-F793 HydrophobicContact CB-CE1 4.46Å; V779-F793 HydrophobicContact CB-CZ 4.13Å; V779-F793 HydrophobicContact CG1-CE1 3.83Å; V779-F793 HydrophobicContact CG1-CZ 3.71Å; V779-Y825 HydrophobicContact CB-CE1 4.48Å; V779-Y825 HydrophobicContact CG1-CD1 4.21Å; V779-Y825 HydrophobicContact CG1-CD2 4Å; V779-Y825 HydrophobicContact CG1-CE1 3.84Å; V779-Y825 HydrophobicContact CG1-CE2 3.61Å; V779-Y825 HydrophobicContact CG1-CG 4.3Å; V779-Y825 HydrophobicContact CG2-CD1 3.88Å; V779-Y825 HydrophobicContact CG2-CE1 3.74Å; V779-R865 WeakPolarHBondContact O-CA 3.43Å; V779-V866 PolarHBondContact N-O 2.75Å; V779-V866 PolarHBondContact O-N 3.25Å; V779-I868 HydrophobicContact CG2-CD1 4.43Å
780D87.3Confident83Confident12 Ų1251.6 Ų51.66%0.06428%0.28CS..EExtended strand (participates in β ladder)trans-111.4109174.2-167.4-25.3000109.9A782 E783 K784 R865D780-A782 VanDerWaalsContact C-N 3.27Å; D780-A782 PolarHBondContact O-N 3.13Å; D780-A782 WeakPolarHBondContact OD1-CB 3.37Å; D780-A782 PolarHBondContact OD1-N 3.16Å; D780-E783 HydrophobicContact CB-CB 4.31Å; D780-E783 HydrophobicContact CB-CG 4.33Å; D780-E783 PolarHBondContact O-N 2.81Å; D780-K784 WeakPolarHBondContact O-CB 3.49Å; D780-K784 WeakPolarHBondContact O-CG 3.35Å; D780-K784 PolarHBondContact O-N 3.24Å; D780-R865 HydrophobicContact CB-CG 4.35Å; D780-R865 WeakPolarHBondContact OD2-CD 3.13Å; D780-R865 IonicContact OD2-CZ 3.6Å; D780-R865 IonicContact OD2-NE 2.66Å; D780-R865 PolarHBondContact OD2-NE 3.07Å; D780-R865 IonicContact OD2-NH2 2.89Å
781L85.3Confident82.6Confident3 Ų350 Ų502%0.01627%0.273CS..Hα-helixtrans-70.4-25.7-179-60.9178.1000112V779 E783 V785 V791 F793 Y825 Y827 K864V779-L781 HydrophobicContact CG1-CD2 4.26Å; L781-E783 VanDerWaalsContact C-N 3.34Å; L781-V785 PolarHBondContact O-N 2.85Å; L781-V791 HydrophobicContact CB-CG1 4.49Å; L781-V791 HydrophobicContact CD1-CG1 4.11Å; L781-F793 HydrophobicContact CD1-CD1 4Å; L781-F793 HydrophobicContact CD1-CD2 3.58Å; L781-F793 HydrophobicContact CD1-CE1 3.93Å; L781-F793 HydrophobicContact CD1-CE2 3.51Å; L781-F793 HydrophobicContact CD1-CG 3.84Å; L781-F793 HydrophobicContact CD1-CZ 3.7Å; L781-F793 HydrophobicContact CD2-CE1 4.09Å; L781-F793 HydrophobicContact CD2-CZ 4.06Å; L781-F793 HydrophobicContact CG-CD2 4.37Å; L781-F793 HydrophobicContact CG-CE1 4.08Å; L781-F793 HydrophobicContact CG-CE2 3.78Å; L781-F793 HydrophobicContact CG-CZ 3.62Å; L781-Y825 HydrophobicContact CD2-CE2 4.37Å; L781-Y827 HydrophobicContact CD2-CD1 3.73Å; L781-Y827 HydrophobicContact CD2-CE1 4.32Å; L781-Y827 HydrophobicContact CD2-CG 3.99Å; L781-K864 HydrophobicContact CB-CB 4.42Å; L781-K864 PolarHBondContact N-O 2.77Å
782A79Confident82.2Confident58 Ų5851.1 Ų51.148%0.47928%0.279SS..Hα-helixtrans-70.1-32.8177.300000112D780D780-A782 VanDerWaalsContact C-N 3.27Å; D780-A782 PolarHBondContact O-N 3.13Å; D780-A782 WeakPolarHBondContact OD1-CB 3.37Å; D780-A782 PolarHBondContact OD1-N 3.16Å
783E76.4Confident82Confident134 Ų13451.2 Ų51.263%0.62628%0.278SS*.Hα-helixtrans-82.3-39.5175-68.3-169.5161.900112.7D780 L781D780-E783 HydrophobicContact CB-CB 4.31Å; D780-E783 HydrophobicContact CB-CG 4.33Å; D780-E783 PolarHBondContact O-N 2.81Å; L781-E783 VanDerWaalsContact C-N 3.34Å
784K73.4Confident81.7Confident99 Ų9951.6 Ų51.643%0.4328%0.281SS..Hα-helixtrans-73.1-35-176.1-75-174.9175.5179.10112.9E777 V779 D780 Y825E777-K784 IonicContact OE1-NZ 3.93Å; V779-K784 HydrophobicContact CG1-CD 4.42Å; D780-K784 WeakPolarHBondContact O-CB 3.49Å; D780-K784 WeakPolarHBondContact O-CG 3.35Å; D780-K784 PolarHBondContact O-N 3.24Å; K784-Y825 WeakPolarHBondContact CD-OH 3.39Å; K784-Y825 PolarHBondContact NZ-OH 3.48Å
785V75.6Confident81.3Confident24 Ų2452 Ų5215%0.14529%0.287CS..SBendtrans-116.772.4-178.1-164.10000109.6L781 G787 E788 V791 Y827L781-V785 PolarHBondContact O-N 2.85Å; V785-G787 PolarHBondContact O-N 3.14Å; V785-E788 HydrophobicContact CG1-CB 3.83Å; V785-E788 HydrophobicContact CG1-CG 3.92Å; V785-V791 HydrophobicContact CB-CG2 4.39Å; V785-V791 HydrophobicContact CG1-CG2 4.15Å; V785-Y827 HydrophobicContact CG2-CE2 4.04Å
786K66.3Low80.9Confident183 Ų18355.3 Ų55.380%0.79630%0.301SS*.THydrogen-bonded Turntrans-66.2123.9178.9-71.8-174.1178.41800110.6
787G65.8Low80.1Confident84 Ų8460.6 Ų60.687%0.86634%0.336SS*.THydrogen-bonded Turntrans99.3-3.1172.800000115.8V785V785-G787 PolarHBondContact O-N 3.14Å
788E66.2Low79.3Confident93 Ų9360.5 Ų60.544%0.43536%0.357SS..  trans-107.797.4175.5-64-171.3175.800111.9V785 G790 V791 N829V785-E788 HydrophobicContact CG1-CB 3.83Å; V785-E788 HydrophobicContact CG1-CG 3.92Å; E788-G790 PolarHBondContact O-N 3.35Å; E788-V791 HydrophobicContact CB-CG2 3.95Å; E788-N829 PolarHBondContact OE2-ND2 3.25Å
789D65.3Low78.7Confident138 Ų13859.7 Ų59.774%0.73835%0.353SS*.THydrogen-bonded Turntrans-77.5100.5172.1-81.9-31.8000110.4N831D789-N831 PolarHBondContact O-ND2 3.1Å
790G76.9Confident78.2Confident5 Ų564.9 Ų64.95%0.05239%0.387CS..THydrogen-bonded Turntrans149.2-1176.700000115.8E788 L830E788-G790 PolarHBondContact O-N 3.35Å; G790-L830 WeakPolarHBondContact O-CB 3.09Å; G790-L830 WeakPolarHBondContact O-CD1 3.18Å; G790-L830 WeakPolarHBondContact O-CG 3.37Å; G790-L830 PolarHBondContact O-N 3.27Å; G790-L830 VanDerWaalsContact O-N 3.16Å
791V84.9Confident77.8Confident3 Ų370.1 Ų70.12%0.01841%0.409CS..EExtended strand (participates in β ladder)trans-74.8133179.6-170.10000111.5L781 V785 E788 Y827 I828 N829L781-V791 HydrophobicContact CB-CG1 4.49Å; L781-V791 HydrophobicContact CD1-CG1 4.11Å; V785-V791 HydrophobicContact CB-CG2 4.39Å; V785-V791 HydrophobicContact CG1-CG2 4.15Å; E788-V791 HydrophobicContact CB-CG2 3.95Å; V791-Y827 HydrophobicContact CG1-CD2 3.29Å; V791-Y827 HydrophobicContact CG1-CE2 3.97Å; V791-Y827 HydrophobicContact CG1-CG 3.86Å; V791-I828 WeakPolarHBondContact CA-O 3.41Å; V791-N829 HydrophobicContact CG2-CB 4.39Å
792V86.9Confident77.4Confident26 Ų2670.6 Ų70.616%0.15841%0.412CS..EExtended strand (participates in β ladder)trans-136.5154175-63.10000110.2Y827 I828 L830 R862V792-Y827 CarbonylContact O-C 3.58Å; V792-Y827 VanDerWaalsContact O-CA 3.27Å; V792-Y827 WeakPolarHBondContact O-CA 3.27Å; V792-Y827 VanDerWaalsContact O-CB 3.31Å; V792-Y827 WeakPolarHBondContact O-CB 3.28Å; V792-I828 PolarHBondContact N-O 3.24Å; V792-I828 PolarHBondContact O-N 3.22Å; V792-L830 HydrophobicContact CG1-CD1 3.84Å; V792-L830 HydrophobicContact CG2-CD1 3.89Å; V792-L830 HydrophobicContact CG2-CD2 4.1Å; V792-L830 HydrophobicContact CG2-CG 3.9Å; V792-R862 HydrophobicContact CG1-CB 4.13Å
793F89.3Confident77.3Confident15 Ų1573.7 Ų73.77%0.06642%0.42CS..EExtended strand (participates in β ladder)trans-63.9140.9168.9-69.4-80.7000110.3V779 L781 D809 L811 Y825 F863 V866V779-F793 HydrophobicContact CB-CE1 4.46Å; V779-F793 HydrophobicContact CB-CZ 4.13Å; V779-F793 HydrophobicContact CG1-CE1 3.83Å; V779-F793 HydrophobicContact CG1-CZ 3.71Å; L781-F793 HydrophobicContact CD1-CD1 4Å; L781-F793 HydrophobicContact CD1-CD2 3.58Å; L781-F793 HydrophobicContact CD1-CE1 3.93Å; L781-F793 HydrophobicContact CD1-CE2 3.51Å; L781-F793 HydrophobicContact CD1-CG 3.84Å; L781-F793 HydrophobicContact CD1-CZ 3.7Å; L781-F793 HydrophobicContact CD2-CE1 4.09Å; L781-F793 HydrophobicContact CD2-CZ 4.06Å; L781-F793 HydrophobicContact CG-CD2 4.37Å; L781-F793 HydrophobicContact CG-CE1 4.08Å; L781-F793 HydrophobicContact CG-CE2 3.78Å; L781-F793 HydrophobicContact CG-CZ 3.62Å; F793-D809 CarbonylContact C-O 3.49Å; F793-D809 VanDerWaalsContact C-O 3.29Å; F793-D809 WeakPolarHBondContact CB-O 3.18Å; F793-L811 HydrophobicContact CD1-CD2 4Å; F793-L811 HydrophobicContact CE1-CD2 4.3Å; F793-Y825 HydrophobicContact CD1-CD2 4.46Å; F793-Y825 AromaticContact CE1-CD2 3.94Å; F793-Y825 HydrophobicContact CE1-CD2 3.94Å; F793-Y825 HydrophobicContact CE1-CG 4.44Å; F793-F863 HydrophobicContact CB-CD1 3.87Å; F793-F863 HydrophobicContact CB-CE1 3.56Å; F793-F863 AromaticContact CD2-CD1 3.68Å; F793-F863 HydrophobicContact CD2-CD1 3.68Å; F793-F863 AromaticContact CD2-CE1 3.43Å; F793-F863 HydrophobicContact CD2-CE1 3.43Å; F793-F863 VanDerWaalsContact CD2-CE1 3.43Å; F793-F863 HydrophobicContact CD2-CE2 4.3Å; F793-F863 HydrophobicContact CD2-CG 4.28Å; F793-F863 AromaticContact CD2-CZ 3.8Å; F793-F863 HydrophobicContact CD2-CZ 3.8Å; F793-F863 HydrophobicContact CE2-CE1 4.39Å; F793-F863 HydrophobicContact CE2-CZ 4.35Å; F793-F863 HydrophobicContact CG-CD1 4.22Å; F793-F863 AromaticContact CG-CE1 3.78Å; F793-F863 HydrophobicContact CG-CE1 3.78Å; F793-F863 HydrophobicContact CG-CZ 4.37Å; F793-V866 HydrophobicContact CD2-CG2 3.92Å; F793-V866 HydrophobicContact CE1-CG2 4.38Å; F793-V866 HydrophobicContact CE2-CB 4.24Å; F793-V866 HydrophobicContact CE2-CG2 3.49Å; F793-V866 VanDerWaalsContact CE2-CG2 3.49Å; F793-V866 HydrophobicContact CZ-CB 4.06Å; F793-V866 HydrophobicContact CZ-CG2 3.75Å
794G88.2Confident77.5Confident7 Ų770.5 Ų70.57%0.07242%0.424CS..  trans168154.6-179.100000111.9D809 S826G794-D809 WeakPolarHBondContact CA-O 3.48Å; G794-D809 PolarHBondContact N-O 2.87Å; G794-S826 PolarHBondContact N-O 3.47Å; G794-S826 CarbonylContact O-C 3.6Å; G794-S826 WeakPolarHBondContact O-CB 3.3Å; G794-S826 PolarHBondContact O-OG 2.89Å
795A85.6Confident78Confident19 Ų1969.3 Ų69.316%0.15742%0.418CS..  trans-113.6138.4172.100000110.4V802 V808A795-V802 HydrophobicContact CB-CG2 4.15Å; A795-V808 PolarHBondContact N-O 2.84Å
796K82.9Confident78.7Confident120 Ų12068.7 Ų68.752%0.52241%0.414SS..  trans-75.8130.2174.1-174.9176.7179.5177.90108.9G798 D799K796-G798 PolarHBondContact O-N 3.28Å; K796-D799 HydrophobicContact CB-CB 4.33Å; K796-D799 WeakPolarHBondContact O-CB 3.05Å; K796-D799 PolarHBondContact O-N 2.77Å; K796-D799 VanDerWaalsContact O-N 3.12Å
797P75.9Confident79.8Confident126 Ų12663.2 Ų63.282%0.81839%0.394SS*.THydrogen-bonded Turntrans-56.2124.3177.3-24.633.4000111.2
798G73.6Confident80.9Confident80 Ų8065.1 Ų65.183%0.82539%0.388SS*.THydrogen-bonded Turntrans80.112.1179.600000116.1K796 P800K796-G798 PolarHBondContact O-N 3.28Å; G798-P800 VanDerWaalsContact O-CD 3.3Å; G798-P800 WeakPolarHBondContact O-CD 3.32Å
799D78.4Confident82Confident24 Ų2463.8 Ų63.813%0.12838%0.384CS..  trans-66.6115.4173.5-168.4-21000110.4K796 K801 V802 S835K796-D799 HydrophobicContact CB-CB 4.33Å; K796-D799 WeakPolarHBondContact O-CB 3.05Å; K796-D799 PolarHBondContact O-N 2.77Å; K796-D799 VanDerWaalsContact O-N 3.12Å; D799-K801 PolarHBondContact O-N 2.74Å; D799-K801 WeakPolarHBondContact OD1-CB 3.26Å; D799-K801 WeakPolarHBondContact OD1-CG 3.04Å; D799-K801 PolarHBondContact OD1-N 2.77Å; D799-V802 HydrophobicContact CB-CG2 4.09Å; D799-V802 PolarHBondContact O-N 3.17Å; D799-V802 VanDerWaalsContact O-N 3.14Å; D799-S835 PolarHBondContact OD2-OG 3.05Å
800P78.3Confident83.1Confident109 Ų10957.2 Ų57.271%0.70835%0.349SS*.THydrogen-bonded Turntrans-61.8-20.3-178.325.3-34.4000112.6G798 V802 N803G798-P800 VanDerWaalsContact O-CD 3.3Å; G798-P800 WeakPolarHBondContact O-CD 3.32Å; P800-V802 VanDerWaalsContact C-N 3.31Å; P800-V802 PolarHBondContact O-N 3.5Å; P800-N803 PolarHBondContact O-N 2.9Å
801K79Confident83.9Confident122 Ų12257.2 Ų57.253%0.5335%0.348SS..THydrogen-bonded Turntrans-72.7-21.7180-64.8173.2-178.9173.60113.7D799 V837 F839D799-K801 PolarHBondContact O-N 2.74Å; D799-K801 WeakPolarHBondContact OD1-CB 3.26Å; D799-K801 WeakPolarHBondContact OD1-CG 3.04Å; D799-K801 PolarHBondContact OD1-N 2.77Å; K801-V837 HydrophobicContact CB-CB 4.27Å; K801-V837 HydrophobicContact CB-CG2 3.88Å; K801-F839 HydrophobicContact CB-CZ 4.48Å
802V77.8Confident84.3Confident13 Ų1357.3 Ų57.38%0.07935%0.349CS..THydrogen-bonded Turntrans-79-26.1180175.20000111.4A795 D799 P800 G804 K805 L806 P823 V837A795-V802 HydrophobicContact CB-CG2 4.15Å; D799-V802 HydrophobicContact CB-CG2 4.09Å; D799-V802 PolarHBondContact O-N 3.17Å; D799-V802 VanDerWaalsContact O-N 3.14Å; P800-V802 VanDerWaalsContact C-N 3.31Å; P800-V802 PolarHBondContact O-N 3.5Å; V802-G804 PolarHBondContact O-N 2.88Å; V802-K805 PolarHBondContact O-N 2.87Å; V802-L806 HydrophobicContact CG1-CB 3.63Å; V802-L806 HydrophobicContact CG1-CD1 4.28Å; V802-L806 HydrophobicContact CG1-CG 4.06Å; V802-L806 HydrophobicContact CG2-CD1 4.46Å; V802-P823 WeakPolarHBondContact O-CG 3.4Å; V802-V837 HydrophobicContact CG2-CG2 4.14Å
803N76.8Confident84.6Confident123 Ų12360.1 Ų60.166%0.65836%0.36SS*.THydrogen-bonded Turntrans50.829.5170.1-139.117.5000114.5P800 K805P800-N803 PolarHBondContact O-N 2.9Å; N803-K805 PolarHBondContact O-N 2.94Å
804G79.8Confident84.8Confident68 Ų6864.8 Ų64.870%0.70138%0.384SS*.THydrogen-bonded Turntrans65.911.9-178.600000115.9V802V802-G804 PolarHBondContact O-N 2.88Å
805K85.2Confident85Confident73 Ų7366.8 Ų66.832%0.31741%0.405SS..THydrogen-bonded Turntrans-98.4-16.7-178.9-74-171174.9-177.50114.1V802 N803 D822 P823V802-K805 PolarHBondContact O-N 2.87Å; N803-K805 PolarHBondContact O-N 2.94Å; K805-D822 HydrophobicContact CD-CB 4.3Å; K805-D822 IonicContact NZ-OD1 3.71Å; K805-D822 PolarHBondContact NZ-OD1 2.86Å; K805-D822 IonicContact NZ-OD2 2.77Å; K805-D822 PolarHBondContact NZ-OD2 2.94Å; K805-P823 HydrophobicContact CB-CG 3.91Å
806L90Very high85.3Confident11 Ų1167.3 Ų67.36%0.05841%0.407CS..BIsolated β-bridgetrans-107.1146.6171.3-48.1174.8000110.2V802 L811 P812 P823 V837V802-L806 HydrophobicContact CG1-CB 3.63Å; V802-L806 HydrophobicContact CG1-CD1 4.28Å; V802-L806 HydrophobicContact CG1-CG 4.06Å; V802-L806 HydrophobicContact CG2-CD1 4.46Å; L806-L811 CarbonylContact C-O 3.55Å; L806-L811 VanDerWaalsContact CA-O 3.32Å; L806-L811 WeakPolarHBondContact CA-O 3.16Å; L806-P812 HydrophobicContact CD2-CB 3.95Å; L806-P823 HydrophobicContact CD1-CB 3.99Å; L806-P823 HydrophobicContact CD2-CB 4.46Å; L806-P823 HydrophobicContact CG-CB 4.08Å; L806-P823 HydrophobicContact CG-CG 4.4Å; L806-V837 HydrophobicContact CD1-CG1 4.41Å
807D90Very high85.9Confident69 Ų6965.4 Ų65.437%0.36941%0.406SS..  trans-76.6174.1173-154.5-15.2000110.8D809 G810 L811 H813D807-D809 WeakPolarHBondContact CB-OD1 3.39Å; D807-D809 PolarHBondContact O-N 3.36Å; D807-G810 PolarHBondContact O-N 2.77Å; D807-L811 PolarHBondContact N-O 3.33Å; D807-H813 IonicContact OD2-CE1 3.77Å; D807-H813 IonicContact OD2-ND1 2.81Å
808V88.3Confident86.7Confident123 Ų12359.6 Ų59.675%0.74537%0.368SS*.THydrogen-bonded Turntrans-60.1-27.1-178.6-63.80000113A795 G810A795-V808 PolarHBondContact N-O 2.84Å; V808-G810 PolarHBondContact O-N 2.99Å
809D88.5Confident87.6Confident66 Ų6661.2 Ų61.235%0.35335%0.353SS..THydrogen-bonded Turntrans-76.5-3.2175.668.21.8000113.3F793 G794 D807 L811F793-D809 CarbonylContact C-O 3.49Å; F793-D809 VanDerWaalsContact C-O 3.29Å; F793-D809 WeakPolarHBondContact CB-O 3.18Å; G794-D809 WeakPolarHBondContact CA-O 3.48Å; G794-D809 PolarHBondContact N-O 2.87Å; D807-D809 WeakPolarHBondContact CB-OD1 3.39Å; D807-D809 PolarHBondContact O-N 3.36Å; D809-L811 WeakPolarHBondContact OD1-CB 3.44Å; D809-L811 PolarHBondContact OD1-N 2.76Å
810G89.2Confident88.1Confident0 Ų067.6 Ų67.60%038%0.377CS..SBendtrans78.815-179.200000114.5D807 V808 Y825 S826D807-G810 PolarHBondContact O-N 2.77Å; V808-G810 PolarHBondContact O-N 2.99Å; G810-Y825 CarbonylContact O-C 3.44Å; G810-Y825 VanDerWaalsContact O-CA 3.26Å; G810-Y825 WeakPolarHBondContact O-CA 3.43Å; G810-S826 WeakPolarHBondContact CA-OG 3.42Å; G810-S826 PolarHBondContact O-N 2.8Å
811L92.9Very high88.6Confident5 Ų564.3 Ų64.33%0.02636%0.362CS..  trans-110.2155.5178.6-58.2175.8000111F793 L806 D807 D809 I851 F863 V866F793-L811 HydrophobicContact CD1-CD2 4Å; F793-L811 HydrophobicContact CE1-CD2 4.3Å; L806-L811 CarbonylContact C-O 3.55Å; L806-L811 VanDerWaalsContact CA-O 3.32Å; L806-L811 WeakPolarHBondContact CA-O 3.16Å; D807-L811 PolarHBondContact N-O 3.33Å; D809-L811 WeakPolarHBondContact OD1-CB 3.44Å; D809-L811 PolarHBondContact OD1-N 2.76Å; L811-I851 HydrophobicContact CB-CD1 4.35Å; L811-I851 HydrophobicContact CD1-CG2 3.99Å; L811-F863 HydrophobicContact CD1-CE1 4.41Å; L811-F863 HydrophobicContact CD1-CZ 4.14Å; L811-V866 HydrophobicContact CD1-CG1 4.39Å; L811-V866 HydrophobicContact CD1-CG2 4.31Å; L811-V866 HydrophobicContact CD2-CG1 4.16Å; L811-V866 HydrophobicContact CD2-CG2 4.26Å
812P93.5Very high89.2Confident5 Ų559.5 Ų59.53%0.03234%0.343CS..BIsolated β-bridgetrans-78.6153.1-178.331.2-32.2000111.5L806 I818 F824 V848 I851 I868L806-P812 HydrophobicContact CD2-CB 3.95Å; P812-I818 HydrophobicContact CB-CD1 3.96Å; P812-I818 HydrophobicContact CG-CD1 4.28Å; P812-F824 WeakPolarHBondContact CD-O 3.28Å; P812-V848 HydrophobicContact CB-CG2 4.08Å; P812-V848 HydrophobicContact CG-CG1 4.41Å; P812-V848 HydrophobicContact CG-CG2 4.06Å; P812-I851 HydrophobicContact CG-CD1 4.04Å; P812-I851 WeakPolarHBondContact O-CD1 3.43Å; P812-I868 HydrophobicContact CG-CD1 4.5Å; P812-I868 HydrophobicContact CG-CG2 4.47Å
813H92.6Very high89.9Confident84 Ų8459.1 Ų59.139%0.38934%0.341SS..PPolyproline II helixtrans-67.4136.3175.9-64.1-70.2000111.9D807 G815 S816 V848D807-H813 IonicContact OD2-CE1 3.77Å; D807-H813 IonicContact OD2-ND1 2.81Å; H813-G815 PolarHBondContact O-N 3.25Å; H813-S816 VanDerWaalsContact O-CB 3.26Å; H813-S816 WeakPolarHBondContact O-CB 3.49Å; H813-S816 PolarHBondContact O-N 3.42Å; H813-S816 VanDerWaalsContact O-N 3.11Å; H813-S816 PolarHBondContact O-OG 2.78Å; H813-V848 WeakPolarHBondContact O-CB 3.4Å
814I93.8Very high90.6Very high114 Ų11453.6 Ų53.659%0.58531%0.311SS*.THydrogen-bonded Turntrans-62.6132.8172.4-60.2172.7000108.9S816 D849 I851I814-S816 VanDerWaalsContact C-N 3.33Å; I814-D849 WeakPolarHBondContact CG2-O 3.44Å; I814-I851 HydrophobicContact CG1-CD1 4.28Å; I814-I851 HydrophobicContact CG1-CG1 4.46Å
815G92.9Very high91.2Very high48 Ų4851 Ų5150%0.49528%0.28SS..THydrogen-bonded Turntrans87.1-8.7-174.800000115H813 V848H813-G815 PolarHBondContact O-N 3.25Å; G815-V848 WeakPolarHBondContact CA-O 3.41Å; G815-V848 PolarHBondContact N-O 2.98Å
816S92.4Very high91.5Very high30 Ų3047.6 Ų47.621%0.2127%0.265CS..  trans-68.6144.7177.165.60000112H813 I814 V847 V848H813-S816 VanDerWaalsContact O-CB 3.26Å; H813-S816 WeakPolarHBondContact O-CB 3.49Å; H813-S816 PolarHBondContact O-N 3.42Å; H813-S816 VanDerWaalsContact O-N 3.11Å; H813-S816 PolarHBondContact O-OG 2.78Å; I814-S816 VanDerWaalsContact C-N 3.33Å; S816-V847 WeakPolarHBondContact O-CA 3.45Å; S816-V848 PolarHBondContact O-N 2.84Å
817V94Very high91.6Very high81 Ų8148.8 Ų48.849%0.49127%0.269SS..EExtended strand (participates in β ladder)trans-89.5120.9173.9-176.70000108.8C846 V847V817-C846 CarbonylContact C-O 3.5Å; V817-C846 WeakPolarHBondContact CA-O 3.25Å; V817-V847 HydrophobicContact CG2-CG2 4.34Å
818I92.8Very high91.5Very high4 Ų447.2 Ų47.22%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-109.5128.6179.2-57.7-175.5000109P812 D822 F824 Y840 A845 C846 V848P812-I818 HydrophobicContact CB-CD1 3.96Å; P812-I818 HydrophobicContact CG-CD1 4.28Å; I818-D822 HydrophobicContact CG2-CB 3.88Å; I818-F824 HydrophobicContact CD1-CD2 3.94Å; I818-F824 HydrophobicContact CD1-CE2 4.33Å; I818-Y840 HydrophobicContact CG2-CD1 3.84Å; I818-Y840 HydrophobicContact CG2-CD2 4.2Å; I818-Y840 HydrophobicContact CG2-CG 3.62Å; I818-A845 WeakPolarHBondContact O-CA 3.11Å; I818-C846 PolarHBondContact N-O 3.03Å; I818-C846 PolarHBondContact O-N 2.84Å; I818-V848 HydrophobicContact CD1-CG2 3.35Å; I818-V848 HydrophobicContact CG1-CG2 3.93Å
819Q92.6Very high91.4Very high113 Ų11341.8 Ų41.853%0.52823%0.227SC..  trans-113.6171176.9-59.3-174.74.600111.4G821 D822 Y840 A845Q819-G821 PolarHBondContact O-N 3.02Å; Q819-D822 PolarHBondContact N-OD2 3.2Å; Q819-D822 WeakPolarHBondContact O-CB 3.43Å; Q819-D822 PolarHBondContact O-N 2.96Å; Q819-D822 VanDerWaalsContact O-N 3.11Å; Q819-Y840 WeakPolarHBondContact O-CD1 3.42Å; Q819-A845 HydrophobicContact CG-CB 4.24Å
820Y89.9Confident91.2Very high159 Ų15943 Ų4362%0.62423%0.233SC*.THydrogen-bonded Turntrans-56.6127.5176.8178.2-93.4000111.1D822Y820-D822 VanDerWaalsContact C-N 3.34Å
821G88.6Confident90.9Very high39 Ų3948.6 Ų48.640%0.40226%0.263SS..THydrogen-bonded Turntrans86.5-3.4-179.800000115.1Q819 F839 Y840Q819-G821 PolarHBondContact O-N 3.02Å; G821-F839 WeakPolarHBondContact O-CD1 3.33Å; G821-Y840 PolarHBondContact N-O 3.45Å
822D91.7Very high90.4Very high22 Ų2252 Ų5212%0.11828%0.284CS..SBendtrans-72150.6171.4-76.9-28.7000111.9K805 I818 Q819 Y820 F824 F839 Y840K805-D822 HydrophobicContact CD-CB 4.3Å; K805-D822 IonicContact NZ-OD1 3.71Å; K805-D822 PolarHBondContact NZ-OD1 2.86Å; K805-D822 IonicContact NZ-OD2 2.77Å; K805-D822 PolarHBondContact NZ-OD2 2.94Å; I818-D822 HydrophobicContact CG2-CB 3.88Å; Q819-D822 PolarHBondContact N-OD2 3.2Å; Q819-D822 WeakPolarHBondContact O-CB 3.43Å; Q819-D822 PolarHBondContact O-N 2.96Å; Q819-D822 VanDerWaalsContact O-N 3.11Å; Y820-D822 VanDerWaalsContact C-N 3.34Å; D822-F824 PolarHBondContact O-N 2.82Å; D822-F839 CarbonylContact O-C 3.44Å; D822-F839 VanDerWaalsContact O-CA 3.28Å; D822-F839 WeakPolarHBondContact O-CA 3.4Å; D822-Y840 PolarHBondContact O-N 3.45Å
823P91.8Very high89.8Confident5 Ų554 Ų543%0.03231%0.306CS..EExtended strand (participates in β ladder)trans-65.4130.5174.228.8-34.4000110.1V802 K805 L806 V837 F839V802-P823 WeakPolarHBondContact O-CG 3.4Å; K805-P823 HydrophobicContact CB-CG 3.91Å; L806-P823 HydrophobicContact CD1-CB 3.99Å; L806-P823 HydrophobicContact CD2-CB 4.46Å; L806-P823 HydrophobicContact CG-CB 4.08Å; L806-P823 HydrophobicContact CG-CG 4.4Å; P823-V837 HydrophobicContact CB-CG1 3.66Å; P823-F839 HydrophobicContact CB-CD1 4.43Å; P823-F839 HydrophobicContact CB-CE1 4.43Å
824F91.5Very high89.3Confident6 Ų656.8 Ų56.83%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-106.1-43.6-174.7-173.3-126000112.7E777 P812 I818 D822 S838 Y840 I868 V870E777-F824 HydrophobicContact CB-CE1 4.41Å; E777-F824 HydrophobicContact CB-CZ 4.44Å; E777-F824 HydrophobicContact CG-CE1 4.48Å; E777-F824 VanDerWaalsContact OE2-CE1 3.31Å; E777-F824 WeakPolarHBondContact OE2-CE1 3.31Å; P812-F824 WeakPolarHBondContact CD-O 3.28Å; I818-F824 HydrophobicContact CD1-CD2 3.94Å; I818-F824 HydrophobicContact CD1-CE2 4.33Å; D822-F824 PolarHBondContact O-N 2.82Å; F824-S838 WeakPolarHBondContact CA-O 3.37Å; F824-S838 WeakPolarHBondContact CB-O 3.38Å; F824-S838 PolarHBondContact N-O 3.14Å; F824-Y840 HydrophobicContact CD2-CD2 4Å; F824-Y840 HydrophobicContact CE2-CD2 4.24Å; F824-Y840 HydrophobicContact CG-CD2 4.36Å; F824-I868 HydrophobicContact CE1-CD1 4.06Å; F824-I868 HydrophobicContact CE2-CD1 4.34Å; F824-I868 HydrophobicContact CE2-CG2 3.86Å; F824-I868 HydrophobicContact CZ-CB 3.95Å; F824-I868 HydrophobicContact CZ-CD1 3.91Å; F824-I868 HydrophobicContact CZ-CG2 3.77Å; F824-V870 HydrophobicContact CE2-CG1 4.22Å
825Y92.6Very high88.9Confident14 Ų1453 Ų536%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-157158.1168.265.8-91000110.1V779 L781 K784 F793 G810 Y827 S838V779-Y825 HydrophobicContact CB-CE1 4.48Å; V779-Y825 HydrophobicContact CG1-CD1 4.21Å; V779-Y825 HydrophobicContact CG1-CD2 4Å; V779-Y825 HydrophobicContact CG1-CE1 3.84Å; V779-Y825 HydrophobicContact CG1-CE2 3.61Å; V779-Y825 HydrophobicContact CG1-CG 4.3Å; V779-Y825 HydrophobicContact CG2-CD1 3.88Å; V779-Y825 HydrophobicContact CG2-CE1 3.74Å; L781-Y825 HydrophobicContact CD2-CE2 4.37Å; K784-Y825 WeakPolarHBondContact CD-OH 3.39Å; K784-Y825 PolarHBondContact NZ-OH 3.48Å; F793-Y825 HydrophobicContact CD1-CD2 4.46Å; F793-Y825 AromaticContact CE1-CD2 3.94Å; F793-Y825 HydrophobicContact CE1-CD2 3.94Å; F793-Y825 HydrophobicContact CE1-CG 4.44Å; G810-Y825 CarbonylContact O-C 3.44Å; G810-Y825 VanDerWaalsContact O-CA 3.26Å; G810-Y825 WeakPolarHBondContact O-CA 3.43Å; Y825-Y827 HydrophobicContact CD2-CD1 4.31Å; Y825-Y827 AromaticContact CE2-CD1 3.91Å; Y825-Y827 HydrophobicContact CE2-CD1 3.91Å; Y825-Y827 HydrophobicContact CE2-CE1 4.23Å; Y825-S838 VanDerWaalsContact CE2-OG 3.28Å; Y825-S838 WeakPolarHBondContact CE2-OG 3.5Å; Y825-S838 VanDerWaalsContact CZ-CB 3.44Å; Y825-S838 PolarHBondContact N-O 3.45Å; Y825-S838 PolarHBondContact O-N 3.07Å; Y825-S838 PolarHBondContact OH-OG 2.95Å
826S92.2Very high88.7Confident1 Ų155.1 Ų55.11%0.00730%0.3CS..EExtended strand (participates in β ladder)trans-128.9151.5173.767.50000112.4G794 G810 H836G794-S826 PolarHBondContact N-O 3.47Å; G794-S826 CarbonylContact O-C 3.6Å; G794-S826 WeakPolarHBondContact O-CB 3.3Å; G794-S826 PolarHBondContact O-OG 2.89Å; G810-S826 WeakPolarHBondContact CA-OG 3.42Å; G810-S826 PolarHBondContact O-N 2.8Å; S826-H836 VanDerWaalsContact CA-O 3.31Å; S826-H836 WeakPolarHBondContact CA-O 3.35Å
827Y90.8Very high88.6Confident36 Ų3654.2 Ų54.214%0.14129%0.293CS..EExtended strand (participates in β ladder)trans-137.5155.1173.862.4-96.7000110.8L781 V785 V791 V792 Y825 H836L781-Y827 HydrophobicContact CD2-CD1 3.73Å; L781-Y827 HydrophobicContact CD2-CE1 4.32Å; L781-Y827 HydrophobicContact CD2-CG 3.99Å; V785-Y827 HydrophobicContact CG2-CE2 4.04Å; V791-Y827 HydrophobicContact CG1-CD2 3.29Å; V791-Y827 HydrophobicContact CG1-CE2 3.97Å; V791-Y827 HydrophobicContact CG1-CG 3.86Å; V792-Y827 CarbonylContact O-C 3.58Å; V792-Y827 VanDerWaalsContact O-CA 3.27Å; V792-Y827 WeakPolarHBondContact O-CA 3.27Å; V792-Y827 VanDerWaalsContact O-CB 3.31Å; V792-Y827 WeakPolarHBondContact O-CB 3.28Å; Y825-Y827 HydrophobicContact CD2-CD1 4.31Å; Y825-Y827 AromaticContact CE2-CD1 3.91Å; Y825-Y827 HydrophobicContact CE2-CD1 3.91Å; Y825-Y827 HydrophobicContact CE2-CE1 4.23Å; Y827-H836 HydrophobicContact CD1-CB 4.46Å; Y827-H836 HydrophobicContact CD2-CB 4.17Å; Y827-H836 HydrophobicContact CE1-CB 3.95Å; Y827-H836 AromaticContact CE1-CG 3.96Å; Y827-H836 AromaticContact CE1-ND1 3.52Å; Y827-H836 HydrophobicContact CE2-CB 3.64Å; Y827-H836 AromaticContact CZ-CG 3.65Å; Y827-H836 AromaticContact CZ-ND1 3.65Å; Y827-H836 PolarHBondContact N-O 3.31Å; Y827-H836 PolarHBondContact O-N 2.95Å; Y827-H836 PolarHBondContact OH-ND1 3.07Å
828I88.9Confident88.4Confident36 Ų3651.2 Ų51.219%0.18528%0.275CS..EExtended strand (participates in β ladder)trans-121.8134.4-179.4-59.8169.3000108.2V791 V792 Q834V791-I828 WeakPolarHBondContact CA-O 3.41Å; V792-I828 PolarHBondContact N-O 3.24Å; V792-I828 PolarHBondContact O-N 3.22Å; I828-Q834 WeakPolarHBondContact CA-O 3.44Å
829N86.6Confident88.4Confident9 Ų955.6 Ų55.65%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-85.7116.1166.5-177.8-32.3000108.7E788 V791 N831 T832 G833 Q834E788-N829 PolarHBondContact OE2-ND2 3.25Å; V791-N829 HydrophobicContact CG2-CB 4.39Å; N829-N831 VanDerWaalsContact C-N 3.25Å; N829-N831 PolarHBondContact O-N 3.3Å; N829-N831 WeakPolarHBondContact OD1-CB 3.36Å; N829-N831 PolarHBondContact OD1-N 3.25Å; N829-T832 WeakPolarHBondContact CB-OG1 3.24Å; N829-T832 PolarHBondContact O-N 3.47Å; N829-T832 PolarHBondContact OD1-N 3.34Å; N829-G833 VanDerWaalsContact O-CA 3.29Å; N829-G833 WeakPolarHBondContact O-CA 3.47Å; N829-G833 PolarHBondContact O-N 3.24Å; N829-Q834 PolarHBondContact N-O 3.37Å
830L83.4Confident88.2Confident91 Ų9151 Ų5148%0.47627%0.272SS..THydrogen-bonded Turntrans-68.7-22.2-177-67.6168.6000113.6G790 V792G790-L830 WeakPolarHBondContact O-CB 3.09Å; G790-L830 WeakPolarHBondContact O-CD1 3.18Å; G790-L830 WeakPolarHBondContact O-CG 3.37Å; G790-L830 PolarHBondContact O-N 3.27Å; G790-L830 VanDerWaalsContact O-N 3.16Å; V792-L830 HydrophobicContact CG1-CD1 3.84Å; V792-L830 HydrophobicContact CG2-CD1 3.89Å; V792-L830 HydrophobicContact CG2-CD2 4.1Å; V792-L830 HydrophobicContact CG2-CG 3.9Å
831N84.4Confident88Confident119 Ų11954 Ų5464%0.63628%0.283SS*.THydrogen-bonded Turntrans-82.3-36-179.6-56.8-18.3000111.5D789 N829D789-N831 PolarHBondContact O-ND2 3.1Å; N829-N831 VanDerWaalsContact C-N 3.25Å; N829-N831 PolarHBondContact O-N 3.3Å; N829-N831 WeakPolarHBondContact OD1-CB 3.36Å; N829-N831 PolarHBondContact OD1-N 3.25Å
832T82.3Confident87.8Confident76 Ų7654.2 Ų54.247%0.46628%0.278SS..THydrogen-bonded Turntrans-103.6-14.3-177.163.20000113.6N829 Q834N829-T832 WeakPolarHBondContact CB-OG1 3.24Å; N829-T832 PolarHBondContact O-N 3.47Å; N829-T832 PolarHBondContact OD1-N 3.34Å; T832-Q834 PolarHBondContact O-N 3.05Å; T832-Q834 PolarHBondContact OG1-N 3.2Å
833G79.4Confident87.4Confident48 Ų4859.2 Ų59.250%0.49530%0.301SS..  trans67.58.6-174.600000114.4N829N829-G833 VanDerWaalsContact O-CA 3.29Å; N829-G833 WeakPolarHBondContact O-CA 3.47Å; N829-G833 PolarHBondContact O-N 3.24Å
834Q83.3Confident87.1Confident141 Ų14160.7 Ų60.766%0.65931%0.307SS*.  trans-80.2131.6-178.9-65.8-178-2.200110.9I828 N829 T832I828-Q834 WeakPolarHBondContact CA-O 3.44Å; N829-Q834 PolarHBondContact N-O 3.37Å; T832-Q834 PolarHBondContact O-N 3.05Å; T832-Q834 PolarHBondContact OG1-N 3.2Å
835S85.5Confident87.1Confident35 Ų3562.7 Ų62.725%0.24533%0.325CS..EExtended strand (participates in β ladder)trans-94.5139.2171.859.10000110.8D799D799-S835 PolarHBondContact OD2-OG 3.05Å
836H88.3Confident87.1Confident93 Ų9362.1 Ų62.143%0.43132%0.323SS..EExtended strand (participates in β ladder)trans-125.9125.3171.4-175-78.1000109.8S826 Y827S826-H836 VanDerWaalsContact CA-O 3.31Å; S826-H836 WeakPolarHBondContact CA-O 3.35Å; Y827-H836 HydrophobicContact CD1-CB 4.46Å; Y827-H836 HydrophobicContact CD2-CB 4.17Å; Y827-H836 HydrophobicContact CE1-CB 3.95Å; Y827-H836 AromaticContact CE1-CG 3.96Å; Y827-H836 AromaticContact CE1-ND1 3.52Å; Y827-H836 HydrophobicContact CE2-CB 3.64Å; Y827-H836 AromaticContact CZ-CG 3.65Å; Y827-H836 AromaticContact CZ-ND1 3.65Å; Y827-H836 PolarHBondContact N-O 3.31Å; Y827-H836 PolarHBondContact O-N 2.95Å; Y827-H836 PolarHBondContact OH-ND1 3.07Å
837V89.6Confident87.3Confident11 Ų1163.5 Ų63.57%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-105126.1178-176.20000108.8K801 V802 L806 P823 F839K801-V837 HydrophobicContact CB-CB 4.27Å; K801-V837 HydrophobicContact CB-CG2 3.88Å; V802-V837 HydrophobicContact CG2-CG2 4.14Å; L806-V837 HydrophobicContact CD1-CG1 4.41Å; P823-V837 HydrophobicContact CB-CG1 3.66Å; V837-F839 HydrophobicContact CB-CZ 4.5Å; V837-F839 HydrophobicContact CG1-CE1 4.28Å; V837-F839 HydrophobicContact CG1-CZ 4.25Å
838S91.1Very high87.5Confident17 Ų1761.8 Ų61.812%0.11932%0.324CS..EExtended strand (participates in β ladder)trans-98.2128.7175-56.80000109.3F824 Y825F824-S838 WeakPolarHBondContact CA-O 3.37Å; F824-S838 WeakPolarHBondContact CB-O 3.38Å; F824-S838 PolarHBondContact N-O 3.14Å; Y825-S838 VanDerWaalsContact CE2-OG 3.28Å; Y825-S838 WeakPolarHBondContact CE2-OG 3.5Å; Y825-S838 VanDerWaalsContact CZ-CB 3.44Å; Y825-S838 PolarHBondContact N-O 3.45Å; Y825-S838 PolarHBondContact O-N 3.07Å; Y825-S838 PolarHBondContact OH-OG 2.95Å
839F91.1Very high87.7Confident96 Ų9662 Ų6242%0.42133%0.326SS..EExtended strand (participates in β ladder)trans-95149.3-178.8-59.7-83.1000112.1K801 G821 D822 P823 V837 R841K801-F839 HydrophobicContact CB-CZ 4.48Å; G821-F839 WeakPolarHBondContact O-CD1 3.33Å; D822-F839 CarbonylContact O-C 3.44Å; D822-F839 VanDerWaalsContact O-CA 3.28Å; D822-F839 WeakPolarHBondContact O-CA 3.4Å; P823-F839 HydrophobicContact CB-CD1 4.43Å; P823-F839 HydrophobicContact CB-CE1 4.43Å; V837-F839 HydrophobicContact CB-CZ 4.5Å; V837-F839 HydrophobicContact CG1-CE1 4.28Å; V837-F839 HydrophobicContact CG1-CZ 4.25Å; F839-R841 PolarHBondContact O-N 2.94Å
840Y90Very high88Confident17 Ų1763.4 Ų63.47%0.06733%0.333CS..PPolyproline II helixtrans-70.2123.8175.9-175.5-108.8000110.5I818 Q819 G821 D822 F824 S842 E844 C846I818-Y840 HydrophobicContact CG2-CD1 3.84Å; I818-Y840 HydrophobicContact CG2-CD2 4.2Å; I818-Y840 HydrophobicContact CG2-CG 3.62Å; Q819-Y840 WeakPolarHBondContact O-CD1 3.42Å; G821-Y840 PolarHBondContact N-O 3.45Å; D822-Y840 PolarHBondContact O-N 3.45Å; F824-Y840 HydrophobicContact CD2-CD2 4Å; F824-Y840 HydrophobicContact CE2-CD2 4.24Å; F824-Y840 HydrophobicContact CG-CD2 4.36Å; Y840-S842 VanDerWaalsContact CE1-CB 3.45Å; Y840-S842 VanDerWaalsContact CE1-O 3.26Å; Y840-S842 WeakPolarHBondContact CE1-O 3.12Å; Y840-S842 WeakPolarHBondContact OH-CB 3.39Å; Y840-E844 VanDerWaalsContact CE1-O 3.3Å; Y840-E844 WeakPolarHBondContact CE1-O 3.28Å; Y840-E844 PolarHBondContact OH-O 3.39Å; Y840-C846 PolarHBondContact OH-SG 2.95Å
841R85.3Confident88.4Confident222 Ų22260.5 Ų60.584%0.83832%0.318SS*.  trans-102-7.8-172-61.5-176.6-178.9178.4-0.9114.2F839F839-R841 PolarHBondContact O-N 2.94Å
842S83.6Confident88.6Confident43 Ų4356.5 Ų56.530%0.30130%0.295SS..  trans-77.6141.9178.6-150.60000110.4Y840 E844Y840-S842 VanDerWaalsContact CE1-CB 3.45Å; Y840-S842 VanDerWaalsContact CE1-O 3.26Å; Y840-S842 WeakPolarHBondContact CE1-O 3.12Å; Y840-S842 WeakPolarHBondContact OH-CB 3.39Å; S842-E844 PolarHBondContact O-N 2.94Å
843Q82.6Confident88.9Confident128 Ų12857.6 Ų57.660%0.59830%0.301SS*.SBendtrans-73.7-16.8174.3-66.4-177.1-6.900112.4
844E85.6Confident88.9Confident35 Ų3555.5 Ų55.516%0.16428%0.279CS..SBendtrans-86.4118.8-178.7-66.7172.5173.400110.2K775 Y840 S842 V872 R874K775-E844 IonicContact NZ-OE2 3.76Å; K775-E844 PolarHBondContact NZ-OE2 2.93Å; Y840-E844 VanDerWaalsContact CE1-O 3.3Å; Y840-E844 WeakPolarHBondContact CE1-O 3.28Å; Y840-E844 PolarHBondContact OH-O 3.39Å; S842-E844 PolarHBondContact O-N 2.94Å; E844-V872 HydrophobicContact CB-CG1 4.23Å; E844-R874 VanDerWaalsContact CD-CZ 3.47Å; E844-R874 IonicContact OE1-CZ 2.7Å; E844-R874 IonicContact OE1-NH1 2.73Å; E844-R874 PolarHBondContact OE1-NH1 3.12Å; E844-R874 IonicContact OE1-NH2 3.8Å; E844-R874 PolarHBondContact OE1-NH2 3.29Å; E844-R874 IonicContact OE2-CZ 3.64Å; E844-R874 IonicContact OE2-NH1 3.32Å; E844-R874 IonicContact OE2-NH2 2.57Å; E844-R874 PolarHBondContact OE2-NH2 3.35Å; E844-R874 VanDerWaalsContact OE2-NH2 3.16Å
845A91.6Very high88.3Confident49 Ų4951.9 Ų51.941%0.40527%0.269SS..  trans-58138.2168.500000109.9I818 Q819I818-A845 WeakPolarHBondContact O-CA 3.11Å; Q819-A845 HydrophobicContact CG-CB 4.24Å
846C94Very high87.4Confident1 Ų152.9 Ų52.91%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-139.6161.8-177.470.80000110.8V817 I818 Y840 V870 V872V817-C846 CarbonylContact C-O 3.5Å; V817-C846 WeakPolarHBondContact CA-O 3.25Å; I818-C846 PolarHBondContact N-O 3.03Å; I818-C846 PolarHBondContact O-N 2.84Å; Y840-C846 PolarHBondContact OH-SG 2.95Å; C846-V870 HydrophobicContact CB-CB 4.01Å; C846-V870 HydrophobicContact CB-CG2 4.25Å; C846-V872 HydrophobicContact CB-CG2 3.91Å
847V95.4Very high86.1Confident30 Ų3052.6 Ų52.618%0.18227%0.274CS..EExtended strand (participates in β ladder)trans-109.4132.5174.2-175.90000108.1S816 V817 D849 V870 R871S816-V847 WeakPolarHBondContact O-CA 3.45Å; V817-V847 HydrophobicContact CG2-CG2 4.34Å; V847-D849 PolarHBondContact O-N 3.44Å; V847-V870 CarbonylContact O-C 3.57Å; V847-V870 WeakPolarHBondContact O-CA 3.3Å; V847-R871 PolarHBondContact N-O 3.05Å; V847-R871 PolarHBondContact O-N 3.46Å
848V94.9Very high84.8Confident1 Ų156.5 Ų56.51%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-68119.5173-1780000108.8P812 H813 G815 S816 I818 I851P812-V848 HydrophobicContact CB-CG2 4.08Å; P812-V848 HydrophobicContact CG-CG1 4.41Å; P812-V848 HydrophobicContact CG-CG2 4.06Å; H813-V848 WeakPolarHBondContact O-CB 3.4Å; G815-V848 WeakPolarHBondContact CA-O 3.41Å; G815-V848 PolarHBondContact N-O 2.98Å; S816-V848 PolarHBondContact O-N 2.84Å; I818-V848 HydrophobicContact CD1-CG2 3.35Å; I818-V848 HydrophobicContact CG1-CG2 3.93Å; V848-I851 HydrophobicContact CG1-CD1 3.98Å; V848-I851 HydrophobicContact CG1-CG1 4.01Å
849D93.4Very high83.2Confident40 Ų4058.2 Ų58.221%0.21432%0.317CS..EExtended strand (participates in β ladder)trans-99.8-47.3-173.9-167.884.1000111.6Y774 I814 V847 T869 R871Y774-D849 WeakPolarHBondContact CE1-OD1 3.38Å; Y774-D849 WeakPolarHBondContact CE1-OD2 3.39Å; I814-D849 WeakPolarHBondContact CG2-O 3.44Å; V847-D849 PolarHBondContact O-N 3.44Å; D849-T869 PolarHBondContact N-O 2.91Å; D849-R871 HydrophobicContact CB-CB 4.09Å
850N92.1Very high81.6Confident38 Ų3858.6 Ų58.620%0.20333%0.332CS..EExtended strand (participates in β ladder)trans-153.6147.7179.5-170.4-0.3000111.1T704 K852 T869T704-N850 PolarHBondContact O-ND2 3.07Å; N850-K852 WeakPolarHBondContact ND2-CE 3.44Å; N850-T869 PolarHBondContact N-O 3.49Å; N850-T869 WeakPolarHBondContact O-CA 3.49Å; N850-T869 WeakPolarHBondContact O-CB 3.34Å; N850-T869 PolarHBondContact O-N 3.47Å
851I91.9Very high80.2Confident30 Ų3059.3 Ų59.315%0.15435%0.345CS..EExtended strand (participates in β ladder)trans-126.8120.7175.1-62.1171.3000108.6L811 P812 I814 V848 V866 C867 I868L811-I851 HydrophobicContact CB-CD1 4.35Å; L811-I851 HydrophobicContact CD1-CG2 3.99Å; P812-I851 HydrophobicContact CG-CD1 4.04Å; P812-I851 WeakPolarHBondContact O-CD1 3.43Å; I814-I851 HydrophobicContact CG1-CD1 4.28Å; I814-I851 HydrophobicContact CG1-CG1 4.46Å; V848-I851 HydrophobicContact CG1-CD1 3.98Å; V848-I851 HydrophobicContact CG1-CG1 4.01Å; I851-V866 HydrophobicContact CG2-CG1 3.6Å; I851-C867 WeakPolarHBondContact CA-O 3.18Å; I851-I868 HydrophobicContact CG1-CG2 4.32Å
852K89.8Confident79.5Confident36 Ų3656 Ų5616%0.15733%0.332CS..EExtended strand (participates in β ladder)trans-111.5119.4177.4-62.3-179-170.51590111.2D705 R706 S707 N850 V866 C867D705-K852 PolarHBondContact O-NZ 3.17Å; R706-K852 VanDerWaalsContact C-NZ 3.28Å; R706-K852 PolarHBondContact O-NZ 3.44Å; S707-K852 PolarHBondContact OG-NZ 3.14Å; S707-K852 VanDerWaalsContact OG-NZ 3.11Å; N850-K852 WeakPolarHBondContact ND2-CE 3.44Å; K852-V866 WeakPolarHBondContact O-CA 3.46Å; K852-C867 HydrophobicContact CB-CB 4.23Å; K852-C867 PolarHBondContact N-O 2.95Å; K852-C867 PolarHBondContact O-N 3.38Å
853V87.6Confident79Confident98 Ų9856.9 Ų56.959%0.59433%0.331SS*.EExtended strand (participates in β ladder)trans-80.1117.5174.9169.80000108.8F863V853-F863 HydrophobicContact CB-CE2 3.73Å; V853-F863 HydrophobicContact CB-CZ 4.24Å; V853-F863 HydrophobicContact CG1-CD2 3.42Å; V853-F863 VanDerWaalsContact CG1-CD2 3.42Å; V853-F863 HydrophobicContact CG1-CE2 3.08Å; V853-F863 HydrophobicContact CG1-CG 4.47Å; V853-F863 HydrophobicContact CG1-CZ 3.87Å; V853-F863 HydrophobicContact CG2-CE2 3.75Å; V853-F863 HydrophobicContact CG2-CZ 3.72Å
854C81.1Confident78.8Confident5 Ų553.3 Ų53.33%0.03431%0.313CS..EExtended strand (participates in β ladder)trans-107.8121.3-177.4-60.60000110.2R865C854-R865 HydrophobicContact CB-CB 3.92Å; C854-R865 PolarHBondContact N-O 3.31Å; C854-R865 VanDerWaalsContact O-O 3.13Å
855S69.6Low78.8Confident64 Ų6454.3 Ų54.345%0.44832%0.315SS..  trans-83164.6170.5-168.50000111.5
856N67.1Low78.8Confident56 Ų5652 Ų5230%0.29930%0.296SS..  trans-79.6156.1172.468.7-5.7000111.5T858 G859 G861N856-T858 PolarHBondContact ND2-OG1 2.82Å; N856-T858 PolarHBondContact O-N 3.29Å; N856-T858 VanDerWaalsContact O-N 3.15Å; N856-G859 PolarHBondContact O-N 3.4Å; N856-G859 PolarHBondContact OD1-N 3.21Å; N856-G861 WeakPolarHBondContact ND2-CA 3.43Å; N856-G861 PolarHBondContact ND2-N 3.35Å; N856-G861 PolarHBondContact OD1-N 3.43Å
857D61.3Low78.6Confident88 Ų8851.9 Ų51.947%0.47130%0.296SS..THydrogen-bonded Turntrans-67.2-15.8-176.9-62.3-14.2000113.1R106R106-D857 IonicContact CZ-OD1 3.78Å; R106-D857 IonicContact NE-OD1 3.69Å; R106-D857 IonicContact NH2-OD1 2.95Å; R106-D857 PolarHBondContact NH2-OD1 3.45Å
858T61.2Low78.5Confident93 Ų9350.5 Ų50.557%0.57129%0.287SS*.THydrogen-bonded Turntrans-85.8-9.1179.265.50000113.7N856 S860N856-T858 PolarHBondContact ND2-OG1 2.82Å; N856-T858 PolarHBondContact O-N 3.29Å; N856-T858 VanDerWaalsContact O-N 3.15Å; T858-S860 PolarHBondContact O-N 3.42Å; T858-S860 PolarHBondContact OG1-OG 3.06Å; T858-S860 VanDerWaalsContact OG1-OG 3.1Å
859G57.8Low78.5Confident52 Ų5250.8 Ų50.854%0.53629%0.289SS..SBendtrans64.42.117700000115.6N856N856-G859 PolarHBondContact O-N 3.4Å; N856-G859 PolarHBondContact OD1-N 3.21Å
860S57.8Low78.5Confident104 Ų10449.4 Ų49.473%0.72728%0.282SS*.  trans-110.7-1.3-174.258.70000113.4T858T858-S860 PolarHBondContact O-N 3.42Å; T858-S860 PolarHBondContact OG1-OG 3.06Å; T858-S860 VanDerWaalsContact OG1-OG 3.1Å
861G61.5Low78.7Confident32 Ų3251.9 Ų51.933%0.3329%0.288SS..SBendtrans-92.9151.2-175.200000114.2N856N856-G861 WeakPolarHBondContact ND2-CA 3.43Å; N856-G861 PolarHBondContact ND2-N 3.35Å; N856-G861 PolarHBondContact OD1-N 3.43Å
862R68.8Low78.8Confident154 Ų15450.6 Ų50.658%0.58128%0.282SS*.  trans-66.2157.3166-65-177.1179.5167.6-0.2110.9V792 K864V792-R862 HydrophobicContact CG1-CB 4.13Å; R862-K864 WeakPolarHBondContact O-CG 3.5Å; R862-K864 PolarHBondContact O-N 3.38Å; R862-K864 VanDerWaalsContact O-N 3.13Å
863F73.4Confident78.9Confident61 Ų6152.4 Ų52.427%0.26830%0.298SS..SBendtrans-60109.4177175.7-128.5000112F793 L811 V853 V866F793-F863 HydrophobicContact CB-CD1 3.87Å; F793-F863 HydrophobicContact CB-CE1 3.56Å; F793-F863 AromaticContact CD2-CD1 3.68Å; F793-F863 HydrophobicContact CD2-CD1 3.68Å; F793-F863 AromaticContact CD2-CE1 3.43Å; F793-F863 HydrophobicContact CD2-CE1 3.43Å; F793-F863 VanDerWaalsContact CD2-CE1 3.43Å; F793-F863 HydrophobicContact CD2-CE2 4.3Å; F793-F863 HydrophobicContact CD2-CG 4.28Å; F793-F863 AromaticContact CD2-CZ 3.8Å; F793-F863 HydrophobicContact CD2-CZ 3.8Å; F793-F863 HydrophobicContact CE2-CE1 4.39Å; F793-F863 HydrophobicContact CE2-CZ 4.35Å; F793-F863 HydrophobicContact CG-CD1 4.22Å; F793-F863 AromaticContact CG-CE1 3.78Å; F793-F863 HydrophobicContact CG-CE1 3.78Å; F793-F863 HydrophobicContact CG-CZ 4.37Å; L811-F863 HydrophobicContact CD1-CE1 4.41Å; L811-F863 HydrophobicContact CD1-CZ 4.14Å; V853-F863 HydrophobicContact CB-CE2 3.73Å; V853-F863 HydrophobicContact CB-CZ 4.24Å; V853-F863 HydrophobicContact CG1-CD2 3.42Å; V853-F863 VanDerWaalsContact CG1-CD2 3.42Å; V853-F863 HydrophobicContact CG1-CE2 3.08Å; V853-F863 HydrophobicContact CG1-CG 4.47Å; V853-F863 HydrophobicContact CG1-CZ 3.87Å; V853-F863 HydrophobicContact CG2-CE2 3.75Å; V853-F863 HydrophobicContact CG2-CZ 3.72Å; F863-V866 HydrophobicContact CE1-CG2 4.09Å; F863-V866 HydrophobicContact CE2-CG2 3.34Å; F863-V866 HydrophobicContact CZ-CG2 3.07Å
864K79.4Confident79.1Confident52 Ų5248.7 Ų48.723%0.22627%0.273CS..  trans-134.7-6.3-174.5-70.8-175.5-179.2-172.40115L781 R862L781-K864 HydrophobicContact CB-CB 4.42Å; L781-K864 PolarHBondContact N-O 2.77Å; R862-K864 WeakPolarHBondContact O-CG 3.5Å; R862-K864 PolarHBondContact O-N 3.38Å; R862-K864 VanDerWaalsContact O-N 3.13Å
865R86.1Confident79.6Confident56 Ų5651.5 Ų51.521%0.21129%0.287CS..EExtended strand (participates in β ladder)trans-130.6128.4-176.2-55179.885.8-158.73.3111.4V779 D780 C854V779-R865 WeakPolarHBondContact O-CA 3.43Å; D780-R865 HydrophobicContact CB-CG 4.35Å; D780-R865 WeakPolarHBondContact OD2-CD 3.13Å; D780-R865 IonicContact OD2-CZ 3.6Å; D780-R865 IonicContact OD2-NE 2.66Å; D780-R865 PolarHBondContact OD2-NE 3.07Å; D780-R865 IonicContact OD2-NH2 2.89Å; C854-R865 HydrophobicContact CB-CB 3.92Å; C854-R865 PolarHBondContact N-O 3.31Å; C854-R865 VanDerWaalsContact O-O 3.13Å
866V90.2Very high80.7Confident0 Ų048.5 Ų48.50%027%0.267CS..EExtended strand (participates in β ladder)trans-136.7137.1178.4178.80000110.4V779 F793 L811 I851 K852 F863 I868V779-V866 PolarHBondContact N-O 2.75Å; V779-V866 PolarHBondContact O-N 3.25Å; F793-V866 HydrophobicContact CD2-CG2 3.92Å; F793-V866 HydrophobicContact CE1-CG2 4.38Å; F793-V866 HydrophobicContact CE2-CB 4.24Å; F793-V866 HydrophobicContact CE2-CG2 3.49Å; F793-V866 VanDerWaalsContact CE2-CG2 3.49Å; F793-V866 HydrophobicContact CZ-CB 4.06Å; F793-V866 HydrophobicContact CZ-CG2 3.75Å; L811-V866 HydrophobicContact CD1-CG1 4.39Å; L811-V866 HydrophobicContact CD1-CG2 4.31Å; L811-V866 HydrophobicContact CD2-CG1 4.16Å; L811-V866 HydrophobicContact CD2-CG2 4.26Å; I851-V866 HydrophobicContact CG2-CG1 3.6Å; K852-V866 WeakPolarHBondContact O-CA 3.46Å; F863-V866 HydrophobicContact CE1-CG2 4.09Å; F863-V866 HydrophobicContact CE2-CG2 3.34Å; F863-V866 HydrophobicContact CZ-CG2 3.07Å; V866-I868 HydrophobicContact CG1-CG1 3.77Å
867C91.1Very high81.9Confident0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-102.2112.3167.8-68.80000109.1T776 E777 L778 I851 K852T776-C867 HydrophobicContact CG2-CB 4.07Å; E777-C867 WeakPolarHBondContact O-CA 3.19Å; L778-C867 VanDerWaalsContact CD1-SG 3.56Å; I851-C867 WeakPolarHBondContact CA-O 3.18Å; K852-C867 HydrophobicContact CB-CB 4.23Å; K852-C867 PolarHBondContact N-O 2.95Å; K852-C867 PolarHBondContact O-N 3.38Å
868I92.9Very high83.5Confident0 Ų050.1 Ų50.10%027%0.273CS..EExtended strand (participates in β ladder)trans-100.1117.8175.2-53.9177.6000108.1T776 E777 V779 P812 F824 I851 V866 V870T776-I868 WeakPolarHBondContact CA-O 3.36Å; E777-I868 PolarHBondContact N-O 3.39Å; E777-I868 PolarHBondContact O-N 2.87Å; V779-I868 HydrophobicContact CG2-CD1 4.43Å; P812-I868 HydrophobicContact CG-CD1 4.5Å; P812-I868 HydrophobicContact CG-CG2 4.47Å; F824-I868 HydrophobicContact CE1-CD1 4.06Å; F824-I868 HydrophobicContact CE2-CD1 4.34Å; F824-I868 HydrophobicContact CE2-CG2 3.86Å; F824-I868 HydrophobicContact CZ-CB 3.95Å; F824-I868 HydrophobicContact CZ-CD1 3.91Å; F824-I868 HydrophobicContact CZ-CG2 3.77Å; I851-I868 HydrophobicContact CG1-CG2 4.32Å; V866-I868 HydrophobicContact CG1-CG1 3.77Å; I868-V870 HydrophobicContact CG2-CG1 4.25Å
869T94.1Very high85Confident8 Ų846.6 Ų46.65%0.04926%0.255CS..EExtended strand (participates in β ladder)trans-101.5122.9177.9-49.20000109.1K775 T776 D849 N850K775-T869 CarbonylContact O-C 3.51Å; K775-T869 WeakPolarHBondContact O-CA 3.48Å; T776-T869 PolarHBondContact OG1-OG1 3.36Å; D849-T869 PolarHBondContact N-O 2.91Å; N850-T869 PolarHBondContact N-O 3.49Å; N850-T869 WeakPolarHBondContact O-CA 3.49Å; N850-T869 WeakPolarHBondContact O-CB 3.34Å; N850-T869 PolarHBondContact O-N 3.47Å
870V94.8Very high86.7Confident10 Ų1044.2 Ų44.26%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-114.6139.4178.1-590000110.6Y774 K775 F824 C846 V847 I868Y774-V870 CarbonylContact C-O 3.59Å; Y774-V870 WeakPolarHBondContact CA-O 3.4Å; K775-V870 HydrophobicContact CB-CG2 4Å; K775-V870 PolarHBondContact N-O 2.94Å; K775-V870 PolarHBondContact O-N 3.24Å; F824-V870 HydrophobicContact CE2-CG1 4.22Å; C846-V870 HydrophobicContact CB-CB 4.01Å; C846-V870 HydrophobicContact CB-CG2 4.25Å; V847-V870 CarbonylContact O-C 3.57Å; V847-V870 WeakPolarHBondContact O-CA 3.3Å; I868-V870 HydrophobicContact CG2-CG1 4.25Å
871R94.6Very high88.5Confident90 Ų9041.1 Ų41.134%0.3420%0.203SC..EExtended strand (participates in β ladder)trans-103.6121175.5-176.1-178.870.1-173.52.5109.7I773 Y774 V847 D849I773-R871 CarbonylContact O-C 3.38Å; I773-R871 WeakPolarHBondContact O-CA 3.43Å; Y774-R871 HydrophobicContact CD1-CB 4.19Å; Y774-R871 HydrophobicContact CD1-CG 4.32Å; Y774-R871 HydrophobicContact CE1-CB 4.11Å; Y774-R871 HydrophobicContact CE1-CG 3.96Å; Y774-R871 HydrophobicContact CE2-CG 4.38Å; V847-R871 PolarHBondContact N-O 3.05Å; V847-R871 PolarHBondContact O-N 3.46Å; D849-R871 HydrophobicContact CB-CB 4.09Å
872V94.1Very high90.1Very high3 Ų339.7 Ų39.72%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-102.8112.5176.9-174.40000108.3S772 I773 K775 E844 C846 R874S772-V872 WeakPolarHBondContact CA-O 3.46Å; I773-V872 HydrophobicContact CB-CB 4.39Å; I773-V872 PolarHBondContact N-O 3.17Å; I773-V872 PolarHBondContact O-N 3.17Å; K775-V872 HydrophobicContact CD-CG2 4.35Å; E844-V872 HydrophobicContact CB-CG1 4.23Å; C846-V872 HydrophobicContact CB-CG2 3.91Å; V872-R874 HydrophobicContact CG1-CG 4.3Å; V872-R874 PolarHBondContact O-N 3.12Å
873P92.9Very high91.3Very high75 Ų7532.4 Ų32.449%0.48716%0.16SC..EExtended strand (participates in β ladder)trans-66.2133.4174.427.5-32.4000109.9
874R90.6Very high92.4Very high20 Ų2029.5 Ų29.58%0.07515%0.148CC..EExtended strand (participates in β ladder)trans-137.778-174.9-72.4-65.2-137.3-152.2-4.5110.4G771 I773 E844 V872 R1000 M1004 S1006 D1007G771-R874 CarbonylContact O-C 3.55Å; G771-R874 VanDerWaalsContact O-C 3.27Å; G771-R874 WeakPolarHBondContact O-CA 3.34Å; G771-R874 PolarHBondContact O-N 3.14Å; G771-R874 VanDerWaalsContact O-O 3.12Å; I773-R874 HydrophobicContact CD1-CG 3.69Å; I773-R874 HydrophobicContact CG1-CG 3.81Å; E844-R874 VanDerWaalsContact CD-CZ 3.47Å; E844-R874 IonicContact OE1-CZ 2.7Å; E844-R874 IonicContact OE1-NH1 2.73Å; E844-R874 PolarHBondContact OE1-NH1 3.12Å; E844-R874 IonicContact OE1-NH2 3.8Å; E844-R874 PolarHBondContact OE1-NH2 3.29Å; E844-R874 IonicContact OE2-CZ 3.64Å; E844-R874 IonicContact OE2-NH1 3.32Å; E844-R874 IonicContact OE2-NH2 2.57Å; E844-R874 PolarHBondContact OE2-NH2 3.35Å; E844-R874 VanDerWaalsContact OE2-NH2 3.16Å; V872-R874 HydrophobicContact CG1-CG 4.3Å; V872-R874 PolarHBondContact O-N 3.12Å; R874-R1000 PolarHBondContact O-NH1 2.9Å; R874-R1000 PolarHBondContact O-NH2 2.94Å; R874-R1000 VanDerWaalsContact O-NH2 3.08Å; R874-M1004 HydrophobicContact CB-SD 4.1Å; R874-M1004 HydrophobicContact CG-SD 4.08Å; R874-S1006 PolarHBondContact NH1-OG 2.82Å; R874-S1006 PolarHBondContact NH2-OG 3.09Å; R874-D1007 IonicContact CZ-OD1 3.87Å; R874-D1007 IonicContact NH2-OD1 3.25Å; R874-D1007 PolarHBondContact NH2-OD1 3.27Å
875N92.4Very high93.2Very high63 Ų6327.3 Ų27.334%0.33714%0.138SC..  trans-69.6155.1172.1-60.6-6.7000110.1W764 H770 M877 R1000W764-N875 HydrophobicContact CZ2-CB 4.28Å; H770-N875 VanDerWaalsContact CE1-CG 3.49Å; H770-N875 PolarHBondContact CE1-ND2 2.93Å; H770-N875 PolarHBondContact ND1-OD1 2.91Å; N875-M877 PolarHBondContact O-N 3.44Å; N875-R1000 VanDerWaalsContact C-NH2 3.33Å; N875-R1000 PolarHBondContact O-NH2 3.13Å; N875-R1000 VanDerWaalsContact O-NH2 3.12Å
876P93.2Very high93.7Very high2 Ų224.6 Ų24.61%0.01313%0.128CC..  trans-56.5132.4174.5-23.933.6000111.1W764 A769 H770 F882 L892W764-P876 PolarHBondContact NE1-O 3.02Å; A769-P876 HydrophobicContact CB-CG 4.14Å; A769-P876 WeakPolarHBondContact O-CG 3.37Å; H770-P876 VanDerWaalsContact CD2-CD 3.43Å; H770-P876 WeakPolarHBondContact CD2-CD 3.36Å; P876-F882 HydrophobicContact CB-CE2 4.3Å; P876-F882 HydrophobicContact CB-CZ 3.87Å; P876-F882 HydrophobicContact CG-CZ 4.07Å; P876-L892 HydrophobicContact CB-CD2 4.25Å
877M92.6Very high93.8Very high81 Ų8125 Ų2540%0.39913%0.131SC..  trans-122.3158.6175.5-68.2-175.8-62.600110.7N875 G879 D880N875-M877 PolarHBondContact O-N 3.44Å; M877-G879 PolarHBondContact O-N 2.96Å; M877-D880 PolarHBondContact N-OD2 3.01Å; M877-D880 WeakPolarHBondContact O-CB 3.4Å; M877-D880 PolarHBondContact O-N 2.87Å
878I94.4Very high93.9Very high97 Ų9725 Ų2550%0.49713%0.131SC..THydrogen-bonded Turntrans-54129.5173.9-66.3170.6000109.7L892 S893 V1005I878-L892 CarbonylContact C-O 3.52Å; I878-S893 WeakPolarHBondContact CG2-O 3.45Å; I878-V1005 WeakPolarHBondContact O-CG2 3.09Å
879G92.2Very high93.9Very high19 Ų1928.1 Ų28.120%0.19615%0.145CC..THydrogen-bonded Turntrans89.5-5.8-175.700000115.1M877 I891 L892 V1005M877-G879 PolarHBondContact O-N 2.96Å; G879-I891 VanDerWaalsContact CA-CG2 3.5Å; G879-L892 WeakPolarHBondContact CA-O 3.48Å; G879-L892 PolarHBondContact N-O 3.12Å; G879-V1005 WeakPolarHBondContact O-CG2 3.27Å
880D94Very high93.8Very high1 Ų127.8 Ų27.81%0.00514%0.143CC..  trans-62.5154.2169.7-81.71.1000110.1M877 F882 L892 R1000 M1004 V1005M877-D880 PolarHBondContact N-OD2 3.01Å; M877-D880 WeakPolarHBondContact O-CB 3.4Å; M877-D880 PolarHBondContact O-N 2.87Å; D880-F882 HydrophobicContact CB-CE2 4.4Å; D880-L892 PolarHBondContact O-N 3.18Å; D880-R1000 IonicContact OD2-CZ 2.85Å; D880-R1000 IonicContact OD2-NE 3.54Å; D880-R1000 IonicContact OD2-NH2 2.76Å; D880-R1000 PolarHBondContact OD2-NH2 2.96Å; D880-M1004 WeakPolarHBondContact OD1-CA 3.48Å; D880-V1005 PolarHBondContact OD1-N 3.25Å; D880-V1005 VanDerWaalsContact OD1-N 3.09Å
881K94.4Very high93.8Very high39 Ų3930.3 Ų30.317%0.1716%0.156CC..EExtended strand (participates in β ladder)trans-107133-172.4-66.3178.3170.3-155.70111.4G890 I891 L1001 H1003K881-G890 WeakPolarHBondContact CA-O 3.24Å; K881-I891 HydrophobicContact CG-CG1 4.22Å; K881-L1001 HydrophobicContact CB-CB 4.12Å; K881-L1001 HydrophobicContact CB-CD1 4Å; K881-L1001 HydrophobicContact CB-CG 4.4Å; K881-L1001 WeakPolarHBondContact O-CB 3.39Å; K881-L1001 PolarHBondContact O-N 3.28Å; K881-H1003 HydrophobicContact CD-CB 4.05Å
882F95.2Very high93.8Very high3 Ų326.1 Ų26.11%0.01314%0.14CC..EExtended strand (participates in β ladder)trans-121.4157.8174.5-71.6-97.1000109.3M757 F768 A769 P876 D880 K889 G890 L892 Y998 Q999 R1000M757-F882 HydrophobicContact CE-CB 3.66Å; M757-F882 HydrophobicContact SD-CB 3.61Å; M757-F882 HydrophobicContact SD-CD2 4.47Å; M757-F882 HydrophobicContact SD-CG 4.22Å; F768-F882 HydrophobicContact CE1-CE1 4.35Å; A769-F882 HydrophobicContact CB-CE1 3.68Å; A769-F882 HydrophobicContact CB-CZ 4.18Å; P876-F882 HydrophobicContact CB-CE2 4.3Å; P876-F882 HydrophobicContact CB-CZ 3.87Å; P876-F882 HydrophobicContact CG-CZ 4.07Å; D880-F882 HydrophobicContact CB-CE2 4.4Å; F882-K889 CarbonylContact O-C 3.41Å; F882-K889 WeakPolarHBondContact O-CA 3.43Å; F882-G890 PolarHBondContact N-O 2.84Å; F882-G890 PolarHBondContact O-N 3.44Å; F882-G890 VanDerWaalsContact O-O 3.08Å; F882-L892 HydrophobicContact CD2-CB 4.29Å; F882-L892 HydrophobicContact CE2-CB 4.15Å; F882-L892 HydrophobicContact CE2-CD2 4.25Å; F882-Y998 HydrophobicContact CB-CD1 4.27Å; F882-Q999 CarbonylContact C-O 3.56Å; F882-Q999 WeakPolarHBondContact CA-O 3.42Å; F882-R1000 HydrophobicContact CD1-CB 4.08Å; F882-R1000 HydrophobicContact CD1-CG 4.33Å; F882-R1000 HydrophobicContact CE1-CB 3.85Å; F882-R1000 HydrophobicContact CE1-CG 3.89Å; F882-R1000 HydrophobicContact CZ-CG 4.06Å
883A95.5Very high93.9Very high0 Ų027.8 Ų27.80%015%0.152CC..EExtended strand (participates in β ladder)trans-146.9142.7173.200000111.1M691 Q888 K889 Q999 L1001M691-A883 HydrophobicContact CB-CB 4.47Å; A883-Q888 WeakPolarHBondContact CA-O 3.39Å; A883-K889 HydrophobicContact CB-CB 4.5Å; A883-Q999 PolarHBondContact N-O 3.31Å; A883-Q999 WeakPolarHBondContact O-CB 2.87Å; A883-Q999 PolarHBondContact O-N 3.42Å; A883-L1001 HydrophobicContact CB-CD1 4.42Å; A883-L1001 HydrophobicContact CB-CD2 4.4Å
884S95.5Very high94Very high0 Ų029 Ų290%015%0.146CC..EExtended strand (participates in β ladder)trans-75.7173.6161.680.80000110.1Q688 H886 Q888 M927Q688-S884 PolarHBondContact OE1-O 3.32Å; S884-H886 PolarHBondContact O-N 2.92Å; S884-H886 VanDerWaalsContact O-N 3.12Å; S884-H886 PolarHBondContact OG-N 3.31Å; S884-Q888 PolarHBondContact N-O 3.18Å; S884-Q888 VanDerWaalsContact N-O 3.09Å; S884-Q888 WeakPolarHBondContact OG-CB 3.43Å; S884-M927 PolarHBondContact OG-SD 3.15Å
885R96.1Very high94.3Very high6 Ų629.7 Ų29.72%0.02315%0.152CC..THydrogen-bonded Turntrans-74.510.4175.5-68.4-178-66176-6.6114.7P675 Q688 V722 E930 Y997P675-R885 HydrophobicContact CG-CB 4.21Å; Q688-R885 VanDerWaalsContact CD-C 3.5Å; Q688-R885 VanDerWaalsContact CD-CA 3.44Å; Q688-R885 WeakPolarHBondContact CG-O 3.38Å; V722-R885 VanDerWaalsContact O-CZ 3.29Å; V722-R885 PolarHBondContact O-NH1 3.01Å; V722-R885 PolarHBondContact O-NH2 3.43Å; R885-E930 IonicContact CZ-OE1 2.78Å; R885-E930 IonicContact NE-OE1 3.8Å; R885-E930 IonicContact NE-OE2 2.85Å; R885-E930 VanDerWaalsContact NH2-CD 3.32Å; R885-E930 IonicContact NH2-OE1 3.89Å; R885-E930 PolarHBondContact NH2-OE1 3.48Å; R885-E930 IonicContact NH2-OE2 2.61Å; R885-Y997 HydrophobicContact CG-CD1 4.04Å
886H96.4Very high94.5Very high0 Ų027.9 Ų27.90%014%0.14CC..THydrogen-bonded Turntrans-111.419.7-179-62-85000112.9P675 N680 R684 S884 Q888 T924 G926 M927 E930P675-H886 PolarHBondContact O-CE1 2.81Å; N680-H886 PolarHBondContact ND2-ND1 3.44Å; N680-H886 PolarHBondContact OD1-ND1 3.3Å; R684-H886 WeakPolarHBondContact CB-O 3.37Å; S884-H886 PolarHBondContact O-N 2.92Å; S884-H886 VanDerWaalsContact O-N 3.12Å; S884-H886 PolarHBondContact OG-N 3.31Å; H886-Q888 PolarHBondContact O-N 2.86Å; H886-T924 HydrophobicContact CB-CG2 4.3Å; H886-T924 WeakPolarHBondContact O-CG2 3.21Å; H886-G926 PolarHBondContact CE1-O 3.38Å; H886-G926 VanDerWaalsContact CE1-O 3.29Å; H886-G926 PolarHBondContact NE2-O 3.26Å; H886-M927 HydrophobicContact CB-CB 4.1Å; H886-M927 VanDerWaalsContact CD2-CA 3.44Å; H886-M927 WeakPolarHBondContact CD2-CA 3.37Å; H886-M927 VanDerWaalsContact CD2-CB 3.46Å; H886-M927 WeakPolarHBondContact CD2-CB 3.44Å; H886-M927 PolarHBondContact CE1-N 2.84Å; H886-M927 PolarHBondContact ND1-N 2.78Å; H886-M927 WeakPolarHBondContact NE2-CA 3.49Å; H886-M927 PolarHBondContact NE2-N 2.79Å; H886-E930 IonicContact CD2-OE2 3.34Å; H886-E930 PolarHBondContact CD2-OE2 3.49Å; H886-E930 IonicContact NE2-OE2 2.77Å; H886-E930 PolarHBondContact NE2-OE2 3.44Å
887G93.4Very high94.7Very high7 Ų729.3 Ų29.37%0.07215%0.15CC..SBendtrans67.615.8-175.400000113.5K889G887-K889 PolarHBondContact O-N 3.02Å
888Q92.9Very high94.8Very high0 Ų026.7 Ų26.70%014%0.141CC..  trans-83.791.1171.8-77-76.220.300109.2A883 S884 H886 F914 G918 R922 T924 M927A883-Q888 WeakPolarHBondContact CA-O 3.39Å; S884-Q888 PolarHBondContact N-O 3.18Å; S884-Q888 VanDerWaalsContact N-O 3.09Å; S884-Q888 WeakPolarHBondContact OG-CB 3.43Å; H886-Q888 PolarHBondContact O-N 2.86Å; Q888-F914 HydrophobicContact CG-CZ 4.42Å; Q888-G918 PolarHBondContact NE2-O 3.44Å; Q888-R922 VanDerWaalsContact NE2-CD 3.34Å; Q888-T924 HydrophobicContact CG-CG2 4.22Å; Q888-T924 PolarHBondContact NE2-OG1 3.04Å; Q888-M927 HydrophobicContact CB-SD 4.17Å; Q888-M927 HydrophobicContact CG-SD 3.95Å
889K92.5Very high94.9Very high66 Ų6629.5 Ų29.529%0.28715%0.152SC..EExtended strand (participates in β ladder)trans-88.1131.9176.4178.4-175.9-178.7178.60109.1M691 F882 A883 G887 L1001M691-K889 HydrophobicContact SD-CD 4.3Å; F882-K889 CarbonylContact O-C 3.41Å; F882-K889 WeakPolarHBondContact O-CA 3.43Å; A883-K889 HydrophobicContact CB-CB 4.5Å; G887-K889 PolarHBondContact O-N 3.02Å; K889-L1001 HydrophobicContact CD-CD1 4.42Å; K889-L1001 HydrophobicContact CG-CD1 4.25Å
890G91.7Very high95Very high1 Ų130.9 Ų30.91%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-134.8160.7169.100000113.6D755 K881 F882D755-G890 CarbonylContact O-C 3.37Å; D755-G890 WeakPolarHBondContact O-CA 3.33Å; K881-G890 WeakPolarHBondContact CA-O 3.24Å; F882-G890 PolarHBondContact N-O 2.84Å; F882-G890 PolarHBondContact O-N 3.44Å; F882-G890 VanDerWaalsContact O-O 3.08Å
891I94.6Very high95.2Very high64 Ų6430.8 Ų30.833%0.32815%0.154SC..EExtended strand (participates in β ladder)trans-101.3128.5179.5-60.3177000107.3D755 A756 M757 G879 K881 S893D755-I891 PolarHBondContact O-N 2.99Å; A756-I891 WeakPolarHBondContact CA-O 3.28Å; M757-I891 PolarHBondContact N-O 3.17Å; G879-I891 VanDerWaalsContact CA-CG2 3.5Å; K881-I891 HydrophobicContact CG-CG1 4.22Å; I891-S893 PolarHBondContact O-N 2.81Å
892L95.4Very high95.3Very high1 Ų129 Ų291%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-62.7104.8171.9172.253000108.9V759 P876 I878 G879 D880 F882 R894 L895V759-L892 HydrophobicContact CB-CD1 3.66Å; V759-L892 HydrophobicContact CG2-CD1 3.64Å; P876-L892 HydrophobicContact CB-CD2 4.25Å; I878-L892 CarbonylContact C-O 3.52Å; G879-L892 WeakPolarHBondContact CA-O 3.48Å; G879-L892 PolarHBondContact N-O 3.12Å; D880-L892 PolarHBondContact O-N 3.18Å; F882-L892 HydrophobicContact CD2-CB 4.29Å; F882-L892 HydrophobicContact CE2-CB 4.15Å; F882-L892 HydrophobicContact CE2-CD2 4.25Å; L892-R894 WeakPolarHBondContact CD1-O 3.45Å; L892-L895 HydrophobicContact CD1-CD2 4.28Å; L892-L895 HydrophobicContact CD2-CD2 4.05Å
893S95.8Very high95.4Very high38 Ų3832.3 Ų32.327%0.26616%0.161SC..EExtended strand (participates in β ladder)trans-85-44-175.8177.70000111.7Y751 M757 I878 I891Y751-S893 WeakPolarHBondContact O-CB 3.33Å; Y751-S893 PolarHBondContact O-OG 3.24Å; M757-S893 PolarHBondContact O-N 3Å; I878-S893 WeakPolarHBondContact CG2-O 3.45Å; I891-S893 PolarHBondContact O-N 2.81Å
894R95.6Very high95.4Very high100 Ų10032.3 Ų32.338%0.37716%0.161SC..EExtended strand (participates in β ladder)trans-149.8147179.4-159.4165.8-179168.7-0.7111Y751 I758 V759 L892 W896Y751-R894 PolarHBondContact OH-NH1 2.69Å; I758-R894 HydrophobicContact CD1-CB 3.86Å; V759-R894 PolarHBondContact N-O 3.24Å; L892-R894 WeakPolarHBondContact CD1-O 3.45Å; R894-W896 HydrophobicContact CG-CE3 4.45Å
895L96.6Very high95.1Very high36 Ų3638.4 Ų38.419%0.18819%0.19CC..EExtended strand (participates in β ladder)trans-86.5112.5162.9-65.6173.3000107.2V759 K761 W764 L892V759-L895 HydrophobicContact CB-CD2 4.11Å; V759-L895 HydrophobicContact CG1-CD2 4.13Å; V759-L895 WeakPolarHBondContact O-CA 3.45Å; K761-L895 HydrophobicContact CB-CB 4.22Å; K761-L895 HydrophobicContact CG-CB 4.36Å; W764-L895 HydrophobicContact CB-CD2 4.01Å; W764-L895 HydrophobicContact CD2-CD1 3.93Å; W764-L895 HydrophobicContact CD2-CD2 4.5Å; W764-L895 HydrophobicContact CE3-CD1 4.16Å; W764-L895 HydrophobicContact CG-CD1 4.23Å; W764-L895 HydrophobicContact CG-CD2 3.94Å; L892-L895 HydrophobicContact CD1-CD2 4.28Å; L892-L895 HydrophobicContact CD2-CD2 4.05Å
896W96.9Very high94.8Very high25 Ų2541.6 Ų41.610%0.09521%0.212CC..EExtended strand (participates in β ladder)trans-95.4128.5-174.9-159.9-96.2000110.6T749 Y751 I758 V759 K761 R894 D900 M901T749-W896 HydrophobicContact CG2-CD2 3.72Å; T749-W896 HydrophobicContact CG2-CE3 3.85Å; T749-W896 HydrophobicContact CG2-CG 4.28Å; T749-W896 HydrophobicContact CG2-CH2 4.19Å; T749-W896 HydrophobicContact CG2-CZ2 4.06Å; T749-W896 HydrophobicContact CG2-CZ3 4.08Å; Y751-W896 AromaticContact CD2-CZ3 3.93Å; Y751-W896 HydrophobicContact CD2-CZ3 3.93Å; Y751-W896 HydrophobicContact CE2-CZ3 4.27Å; I758-W896 HydrophobicContact CG2-CB 3.39Å; I758-W896 HydrophobicContact CG2-CG 4.21Å; V759-W896 PolarHBondContact O-N 3.12Å; K761-W896 VanDerWaalsContact CB-O 3.23Å; K761-W896 WeakPolarHBondContact CB-O 3.4Å; K761-W896 PolarHBondContact N-O 3.13Å; R894-W896 HydrophobicContact CG-CE3 4.45Å; W896-D900 HydrophobicContact CZ2-CB 4.4Å; W896-D900 VanDerWaalsContact NE1-C 3.34Å; W896-D900 PolarHBondContact NE1-O 3.4Å; W896-M901 HydrophobicContact CB-SD 3.82Å; W896-M901 HydrophobicContact CG-SD 3.91Å
897P97.1Very high94.6Very high32 Ų3244.2 Ų44.221%0.20824%0.239CC..  trans-56.1139.6178-24.235.2000111.6E899 D900 M901P897-E899 VanDerWaalsContact C-N 3.27Å; P897-E899 HydrophobicContact CB-CG 3.91Å; P897-E899 PolarHBondContact O-N 3.05Å; P897-D900 HydrophobicContact CB-CB 4.48Å; P897-D900 PolarHBondContact O-N 3.11Å; P897-D900 VanDerWaalsContact O-N 3.12Å; P897-M901 WeakPolarHBondContact O-CG 3.18Å; P897-M901 PolarHBondContact O-N 3.08Å
898A95.6Very high94.6Very high26 Ų2647.5 Ų47.522%0.21525%0.254CS..G310 helixtrans-65.2-30.9-177.900000113.1S762 D900 M901S762-A898 VanDerWaalsContact OG-CB 3.25Å; S762-A898 WeakPolarHBondContact OG-CB 3.09Å; A898-D900 PolarHBondContact O-N 3.31Å; A898-M901 WeakPolarHBondContact O-CB 3.34Å; A898-M901 PolarHBondContact O-N 2.68Å
899E94.8Very high94.7Very high155 Ų15549.7 Ų49.772%0.72427%0.269SS*.G310 helixtrans-60-34.117359-133.3-153.800113P897 G981P897-E899 VanDerWaalsContact C-N 3.27Å; P897-E899 HydrophobicContact CB-CG 3.91Å; P897-E899 PolarHBondContact O-N 3.05Å; E899-G981 WeakPolarHBondContact O-CA 3.29Å
900D96.2Very high94.9Very high48 Ų4846.5 Ų46.526%0.25726%0.255SS..G310 helixtrans-93.2-3.4-179.9-61-31.4000112.4Y748 W896 P897 A898 L982Y748-D900 WeakPolarHBondContact CE1-O 3.39Å; W896-D900 HydrophobicContact CZ2-CB 4.4Å; W896-D900 VanDerWaalsContact NE1-C 3.34Å; W896-D900 PolarHBondContact NE1-O 3.4Å; P897-D900 HydrophobicContact CB-CB 4.48Å; P897-D900 PolarHBondContact O-N 3.11Å; P897-D900 VanDerWaalsContact O-N 3.12Å; A898-D900 PolarHBondContact O-N 3.31Å; D900-L982 HydrophobicContact CB-CD2 4.01Å
901M96.6Very high95.2Very high0 Ų048 Ų480%026%0.263CS..SBendtrans-75146.7178.2-76.3-68.3-82.700110.2N760 W896 P897 A898 P910 L913 G981N760-M901 HydrophobicContact CB-CE 4.12Å; W896-M901 HydrophobicContact CB-SD 3.82Å; W896-M901 HydrophobicContact CG-SD 3.91Å; P897-M901 WeakPolarHBondContact O-CG 3.18Å; P897-M901 PolarHBondContact O-N 3.08Å; A898-M901 WeakPolarHBondContact O-CB 3.34Å; A898-M901 PolarHBondContact O-N 2.68Å; M901-P910 HydrophobicContact CE-CG 3.75Å; M901-P910 WeakPolarHBondContact CE-O 3.19Å; M901-L913 HydrophobicContact CE-CD1 4.16Å; M901-L913 HydrophobicContact CE-CD2 3.76Å; M901-L913 HydrophobicContact CE-CG 3.79Å; M901-L913 HydrophobicContact SD-CD1 3.93Å; M901-L913 HydrophobicContact SD-CG 4.21Å; M901-G981 WeakPolarHBondContact O-CA 3.3Å
902P97.2Very high95.3Very high0 Ų044.9 Ų44.90%025%0.247CC..  trans-67.1142.9169.932.5-36000109.6Y748 P910 L913 L978 Y979Y748-P902 HydrophobicContact CD1-CG 4.43Å; P902-P910 WeakPolarHBondContact O-CD 3.5Å; P902-L913 HydrophobicContact CG-CD2 4.12Å; P902-L978 HydrophobicContact CB-CD2 4.15Å; P902-L978 HydrophobicContact CG-CD2 4.4Å; P902-Y979 CarbonylContact C-O 3.59Å; P902-Y979 WeakPolarHBondContact CA-O 3.34Å; P902-Y979 WeakPolarHBondContact CB-O 3.14Å
903F96.7Very high95.4Very high73 Ų7344.9 Ų44.932%0.3225%0.247SC..EExtended strand (participates in β ladder)trans-126.7148.4-176.561.3-87.7000111.4M908 L978 Y979F903-M908 CarbonylContact C-O 3.16Å; F903-M908 VanDerWaalsContact CA-O 3.27Å; F903-M908 WeakPolarHBondContact CA-O 3.33Å; F903-L978 CarbonylContact O-C 3.58Å; F903-L978 VanDerWaalsContact O-CA 3.29Å; F903-L978 WeakPolarHBondContact O-CA 3.09Å; F903-Y979 HydrophobicContact CD2-CD2 4.11Å; F903-Y979 HydrophobicContact CD2-CG 4.45Å; F903-Y979 AromaticContact CE2-CD2 3.76Å; F903-Y979 HydrophobicContact CE2-CD2 3.76Å; F903-Y979 AromaticContact CE2-CG 3.82Å; F903-Y979 HydrophobicContact CE2-CG 3.82Å; F903-Y979 HydrophobicContact CZ-CD2 4.39Å; F903-Y979 AromaticContact CZ-CG 3.98Å; F903-Y979 HydrophobicContact CZ-CG 3.98Å; F903-Y979 PolarHBondContact N-O 3.36Å; F903-Y979 PolarHBondContact O-N 2.84Å
904T95.4Very high95.4Very high1 Ų143.4 Ų43.41%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-78.3167.8179.2650000111.7S906 G907 M908 E976 L978 I993T904-S906 PolarHBondContact O-N 3.13Å; T904-S906 VanDerWaalsContact O-N 3.16Å; T904-S906 PolarHBondContact OG1-N 2.84Å; T904-S906 PolarHBondContact OG1-OG 2.98Å; T904-G907 WeakPolarHBondContact O-CA 3.45Å; T904-G907 PolarHBondContact O-N 3.16Å; T904-M908 HydrophobicContact CG2-CB 4.36Å; T904-M908 PolarHBondContact N-O 3.38Å; T904-M908 WeakPolarHBondContact OG1-CB 3.39Å; T904-M908 PolarHBondContact OG1-N 3.47Å; T904-E976 WeakPolarHBondContact CG2-OE2 3.3Å; T904-L978 HydrophobicContact CG2-CD1 3.85Å; T904-L978 HydrophobicContact CG2-CG 4.23Å; T904-I993 HydrophobicContact CG2-CD1 3.78Å
905E90.9Very high95.3Very high128 Ų12839 Ų3960%0.59822%0.219SC*.THydrogen-bonded Turntrans-51.5-34.9170-166.969.7-157.700112.9G907 R977 Y979E905-G907 PolarHBondContact O-N 3.34Å; E905-R977 PolarHBondContact N-O 3.12Å; E905-Y979 WeakPolarHBondContact OE2-CE2 3.36Å; E905-Y979 VanDerWaalsContact OE2-CZ 3.24Å; E905-Y979 PolarHBondContact OE2-OH 3.12Å
906S89Confident95.2Very high72 Ų7239.4 Ų39.450%0.50323%0.225SC..THydrogen-bonded Turntrans-79.82.3177.368.20000113.8T904 M908T904-S906 PolarHBondContact O-N 3.13Å; T904-S906 VanDerWaalsContact O-N 3.16Å; T904-S906 PolarHBondContact OG1-N 2.84Å; T904-S906 PolarHBondContact OG1-OG 2.98Å; S906-M908 VanDerWaalsContact OG-CE 3.3Å; S906-M908 WeakPolarHBondContact OG-CE 3.26Å
907G91.8Very high95.1Very high55 Ų5544.9 Ų44.957%0.56725%0.251SS*.  trans77.316.3-179.100000115T904 E905T904-G907 WeakPolarHBondContact O-CA 3.45Å; T904-G907 PolarHBondContact O-N 3.16Å; E905-G907 PolarHBondContact O-N 3.34Å
908M93.7Very high94.8Very high77 Ų7743.6 Ų43.638%0.37924%0.244SC..PPolyproline II helixtrans-82.5134.5176.4-65.6-172.6-7000110.3F903 T904 S906F903-M908 CarbonylContact C-O 3.16Å; F903-M908 VanDerWaalsContact CA-O 3.27Å; F903-M908 WeakPolarHBondContact CA-O 3.33Å; T904-M908 HydrophobicContact CG2-CB 4.36Å; T904-M908 PolarHBondContact N-O 3.38Å; T904-M908 WeakPolarHBondContact OG1-CB 3.39Å; T904-M908 PolarHBondContact OG1-N 3.47Å; S906-M908 VanDerWaalsContact OG-CE 3.3Å; S906-M908 WeakPolarHBondContact OG-CE 3.26Å
909S95.5Very high94.6Very high45 Ų4543.3 Ų43.332%0.31524%0.238SC..PPolyproline II helixtrans-101.1135.1166.947.30000109.3N760N760-S909 PolarHBondContact ND2-OG 2.9Å
910P97.1Very high94.6Very high0 Ų040.7 Ų40.70%023%0.234CC..PPolyproline II helixtrans-67.7152.718026.4-30.5000110.8V742 A744 N760 M901 P902 L913 I993V742-P910 HydrophobicContact CG1-CB 4.22Å; A744-P910 HydrophobicContact CB-CB 3.88Å; A744-P910 HydrophobicContact CB-CG 3.86Å; N760-P910 WeakPolarHBondContact CB-O 3.28Å; N760-P910 PolarHBondContact ND2-O 3.21Å; M901-P910 HydrophobicContact CE-CG 3.75Å; M901-P910 WeakPolarHBondContact CE-O 3.19Å; P902-P910 WeakPolarHBondContact O-CD 3.5Å; P910-L913 HydrophobicContact CB-CD2 4.29Å; P910-L913 HydrophobicContact CG-CD2 3.5Å; P910-L913 VanDerWaalsContact CG-CD2 3.5Å; P910-I993 HydrophobicContact CB-CD1 4.36Å
911D97.3Very high94.3Very high31 Ų3142.5 Ų42.517%0.16625%0.25CS..SBendtrans-78.8-36.3174.7-65.9-51.5000111.3A741 V742 V759 N760 S763 F768A741-D911 HydrophobicContact CB-CB 4.19Å; V742-D911 PolarHBondContact N-OD2 3.28Å; V742-D911 PolarHBondContact O-N 3.2Å; V759-D911 CarbonylContact C-O 3.56Å; V759-D911 WeakPolarHBondContact CA-O 3.33Å; N760-D911 PolarHBondContact N-O 3.13Å; S763-D911 VanDerWaalsContact CB-OD1 3.24Å; S763-D911 WeakPolarHBondContact CB-OD1 3.3Å; S763-D911 PolarHBondContact OG-OD1 2.85Å; F768-D911 HydrophobicContact CE2-CB 4.46Å
912I97.2Very high94.1Very high0 Ų044.3 Ų44.30%026%0.257CS..EExtended strand (participates in β ladder)trans-130.2132.7-177.7-60.8179.7000109.8A741 V742 V743 A744 M757 I758 V759 F768 Y998A741-I912 HydrophobicContact CB-CD1 3.97Å; A741-I912 HydrophobicContact CB-CG1 4.33Å; V742-I912 PolarHBondContact O-N 3.26Å; V742-I912 VanDerWaalsContact O-N 3.09Å; V743-I912 WeakPolarHBondContact CA-O 3.46Å; V743-I912 HydrophobicContact CG2-CB 4.29Å; A744-I912 PolarHBondContact N-O 2.74Å; M757-I912 HydrophobicContact CB-CG2 4.33Å; M757-I912 HydrophobicContact SD-CD1 4.47Å; M757-I912 HydrophobicContact SD-CG2 4.2Å; I758-I912 VanDerWaalsContact O-CA 3.27Å; I758-I912 WeakPolarHBondContact O-CA 3.29Å; V759-I912 HydrophobicContact CG2-CG1 4.32Å; F768-I912 HydrophobicContact CE1-CD1 4.41Å; F768-I912 HydrophobicContact CZ-CD1 4.02Å; F768-I912 HydrophobicContact CZ-CG1 4.33Å; I912-Y998 HydrophobicContact CD1-CD1 3.49Å; I912-Y998 VanDerWaalsContact CD1-CD1 3.49Å; I912-Y998 HydrophobicContact CD1-CD2 4.11Å; I912-Y998 HydrophobicContact CD1-CE1 3.67Å; I912-Y998 HydrophobicContact CD1-CE2 4.29Å; I912-Y998 HydrophobicContact CD1-CG 3.71Å
913L96.5Very high94.1Very high0 Ų049.6 Ų49.60%028%0.283CS..EExtended strand (participates in β ladder)trans-97.9127.8162-49178.8000108.8A744 I746 Y748 T749 I758 M901 P902 P910A744-L913 HydrophobicContact CB-CD2 3.94Å; I746-L913 HydrophobicContact CG2-CB 4.4Å; I746-L913 HydrophobicContact CG2-CD2 3.91Å; Y748-L913 HydrophobicContact CD1-CD1 4.41Å; T749-L913 HydrophobicContact CG2-CD1 3.78Å; I758-L913 HydrophobicContact CB-CB 4.03Å; I758-L913 HydrophobicContact CB-CD1 4.31Å; I758-L913 HydrophobicContact CB-CG 4.27Å; I758-L913 HydrophobicContact CG2-CD1 4.3Å; I758-L913 HydrophobicContact CG2-CG 4.48Å; I758-L913 PolarHBondContact N-O 3.01Å; I758-L913 PolarHBondContact O-N 3.1Å; M901-L913 HydrophobicContact CE-CD1 4.16Å; M901-L913 HydrophobicContact CE-CD2 3.76Å; M901-L913 HydrophobicContact CE-CG 3.79Å; M901-L913 HydrophobicContact SD-CD1 3.93Å; M901-L913 HydrophobicContact SD-CG 4.21Å; P902-L913 HydrophobicContact CG-CD2 4.12Å; P910-L913 HydrophobicContact CB-CD2 4.29Å; P910-L913 HydrophobicContact CG-CD2 3.5Å; P910-L913 VanDerWaalsContact CG-CD2 3.5Å
914F95.1Very high94Very high8 Ų846.1 Ų46.14%0.03527%0.268CS..EExtended strand (participates in β ladder)trans-120.5135176.5-172.8-92.3000110.1V743 A744 V745 I746 Q888 F919V743-F914 HydrophobicContact CG1-CB 3.96Å; A744-F914 PolarHBondContact O-N 2.97Å; V745-F914 CarbonylContact C-O 3.25Å; V745-F914 VanDerWaalsContact CA-O 3.27Å; V745-F914 WeakPolarHBondContact CA-O 3.47Å; I746-F914 PolarHBondContact N-O 3.17Å; Q888-F914 HydrophobicContact CG-CZ 4.42Å; F914-F919 HydrophobicContact CD1-CD2 4.29Å; F914-F919 AromaticContact CD1-CE2 3.5Å; F914-F919 HydrophobicContact CD1-CE2 3.5Å; F914-F919 VanDerWaalsContact CD1-CE2 3.5Å; F914-F919 AromaticContact CD1-CZ 3.99Å; F914-F919 HydrophobicContact CD1-CZ 3.99Å; F914-F919 AromaticContact CE1-CD2 3.91Å; F914-F919 HydrophobicContact CE1-CD2 3.91Å; F914-F919 AromaticContact CE1-CE2 3.46Å; F914-F919 HydrophobicContact CE1-CE2 3.46Å; F914-F919 VanDerWaalsContact CE1-CE2 3.46Å; F914-F919 AromaticContact CE1-CZ 3.89Å; F914-F919 HydrophobicContact CE1-CZ 3.89Å
915N95.1Very high94Very high6 Ų650 Ų503%0.03229%0.288CS..  trans-78.4128.6-174.5-171-27.1000112S747 D752 H917 G918S747-N915 PolarHBondContact OG-OD1 2.85Å; D752-N915 HydrophobicContact CB-CB 4.27Å; D752-N915 WeakPolarHBondContact O-CB 3.29Å; D752-N915 PolarHBondContact O-ND2 3.47Å; N915-H917 PolarHBondContact O-N 3.49Å; N915-H917 WeakPolarHBondContact OD1-CB 3.45Å; N915-H917 PolarHBondContact OD1-N 2.83Å; N915-H917 PolarHBondContact OD1-ND1 2.77Å; N915-G918 PolarHBondContact O-N 3Å
916P94.6Very high94.2Very high46 Ų4644 Ų4430%0.29926%0.259SS..G310 helixtrans-56.9-29.9177.621-33.9000113.8V745 I746 S747 G918 F919 P920V745-P916 HydrophobicContact CG1-CB 3.87Å; I746-P916 VanDerWaalsContact C-CD 3.4Å; S747-P916 WeakPolarHBondContact OG-CD 2.97Å; S747-P916 WeakPolarHBondContact OG-CG 3.22Å; P916-G918 PolarHBondContact O-N 2.96Å; P916-F919 PolarHBondContact O-N 2.84Å; P916-P920 WeakPolarHBondContact O-CD 3.45Å
917H93.8Very high94.6Very high140 Ų14040.7 Ų40.765%0.64824%0.236SC*.G310 helixtrans-63.8-15.2178.9-60.788.9000113.1S747 N915 F919S747-H917 PolarHBondContact OG-ND1 3.16Å; N915-H917 PolarHBondContact O-N 3.49Å; N915-H917 WeakPolarHBondContact OD1-CB 3.45Å; N915-H917 PolarHBondContact OD1-N 2.83Å; N915-H917 PolarHBondContact OD1-ND1 2.77Å; H917-F919 VanDerWaalsContact C-N 3.29Å; H917-F919 PolarHBondContact O-N 2.81Å
918G90.3Very high94.8Very high5 Ų540.3 Ų40.35%0.05222%0.221CC..G310 helixtrans-75.1-8.4173.700000115Q888 N915 P916 R922Q888-G918 PolarHBondContact NE2-O 3.44Å; N915-G918 PolarHBondContact O-N 3Å; P916-G918 PolarHBondContact O-N 2.96Å; G918-R922 WeakPolarHBondContact O-CB 3.49Å; G918-R922 WeakPolarHBondContact O-CD 3.34Å; G918-R922 WeakPolarHBondContact O-CG 3.46Å
919F92.9Very high94.9Very high20 Ų2037.5 Ų37.59%0.08821%0.207CC..THydrogen-bonded Turntrans-90.5-48.8-178.9-72.3-83000114.8V745 F914 P916 H917 S921 R922 M923 M927 L928V745-F919 HydrophobicContact CB-CE2 4.44Å; V745-F919 HydrophobicContact CG1-CD2 4.13Å; V745-F919 HydrophobicContact CG1-CE2 3.61Å; V745-F919 HydrophobicContact CG2-CE2 3.89Å; V745-F919 HydrophobicContact CG2-CZ 4.17Å; F914-F919 HydrophobicContact CD1-CD2 4.29Å; F914-F919 AromaticContact CD1-CE2 3.5Å; F914-F919 HydrophobicContact CD1-CE2 3.5Å; F914-F919 VanDerWaalsContact CD1-CE2 3.5Å; F914-F919 AromaticContact CD1-CZ 3.99Å; F914-F919 HydrophobicContact CD1-CZ 3.99Å; F914-F919 AromaticContact CE1-CD2 3.91Å; F914-F919 HydrophobicContact CE1-CD2 3.91Å; F914-F919 AromaticContact CE1-CE2 3.46Å; F914-F919 HydrophobicContact CE1-CE2 3.46Å; F914-F919 VanDerWaalsContact CE1-CE2 3.46Å; F914-F919 AromaticContact CE1-CZ 3.89Å; F914-F919 HydrophobicContact CE1-CZ 3.89Å; P916-F919 PolarHBondContact O-N 2.84Å; H917-F919 VanDerWaalsContact C-N 3.29Å; H917-F919 PolarHBondContact O-N 2.81Å; F919-S921 PolarHBondContact O-N 3.44Å; F919-R922 PolarHBondContact O-N 2.71Å; F919-M923 PolarHBondContact O-N 3.11Å; F919-M927 HydrophobicContact CE1-CB 4.22Å; F919-M927 HydrophobicContact CE1-CG 4.37Å; F919-M927 HydrophobicContact CE1-SD 4.2Å; F919-M927 HydrophobicContact CZ-CE 4.32Å; F919-M927 HydrophobicContact CZ-CG 4.49Å; F919-M927 HydrophobicContact CZ-SD 4.13Å; F919-L928 HydrophobicContact CD1-CD1 4.43Å; F919-L928 HydrophobicContact CD1-CD2 4.33Å; F919-L928 HydrophobicContact CD1-CG 4.26Å; F919-L928 HydrophobicContact CE1-CD2 3.72Å; F919-L928 HydrophobicContact CE1-CG 3.88Å; F919-L928 HydrophobicContact CE2-CD2 4.19Å; F919-L928 HydrophobicContact CZ-CD2 3.64Å; F919-L928 HydrophobicContact CZ-CG 4.33Å
920P94.3Very high95Very high100 Ų10035.4 Ų35.465%0.64919%0.193SC*.THydrogen-bonded Turntrans-58-43-170.6-28.335.8000114.3P916 R922 M923P916-P920 WeakPolarHBondContact O-CD 3.45Å; P920-R922 VanDerWaalsContact C-N 3.31Å; P920-R922 PolarHBondContact O-N 2.7Å; P920-M923 WeakPolarHBondContact O-CG 3.3Å
921S90.4Very high95Very high85 Ų8535.6 Ų35.659%0.59419%0.194SC*.THydrogen-bonded Turntrans-76.4-17.7179.7630000113.7F919F919-S921 PolarHBondContact O-N 3.44Å
922R92.1Very high94.9Very high39 Ų3934.6 Ų34.615%0.14719%0.188CC..THydrogen-bonded Turntrans-105.7-23.9-174-64.2-166.3166.4107.818.3113.8D755 Q888 G918 F919 P920 T924D755-R922 IonicContact OD1-CZ 2.9Å; D755-R922 IonicContact OD1-NH1 2.95Å; D755-R922 PolarHBondContact OD1-NH1 2.97Å; D755-R922 IonicContact OD1-NH2 3.33Å; D755-R922 PolarHBondContact OD1-NH2 2.78Å; D755-R922 IonicContact OD2-NH2 3.82Å; Q888-R922 VanDerWaalsContact NE2-CD 3.34Å; G918-R922 WeakPolarHBondContact O-CB 3.49Å; G918-R922 WeakPolarHBondContact O-CD 3.34Å; G918-R922 WeakPolarHBondContact O-CG 3.46Å; F919-R922 PolarHBondContact O-N 2.71Å; P920-R922 VanDerWaalsContact C-N 3.31Å; P920-R922 PolarHBondContact O-N 2.7Å; R922-T924 VanDerWaalsContact C-N 3.29Å; R922-T924 HydrophobicContact CB-CG2 4.2Å; R922-T924 PolarHBondContact O-N 3.49Å
923M95.6Very high94.9Very high111 Ų11134.6 Ų34.655%0.54719%0.188SC..  trans49.151.7178-54.617572.700111.3Q681 F919 P920 I925Q681-M923 HydrophobicContact CB-CB 4.42Å; Q681-M923 PolarHBondContact N-O 3.28Å; F919-M923 PolarHBondContact O-N 3.11Å; P920-M923 WeakPolarHBondContact O-CG 3.3Å; M923-I925 PolarHBondContact O-N 3.37Å
924T94.8Very high94.9Very high0 Ų034.7 Ų34.70%019%0.189CC..BIsolated β-bridgetrans-101.361.2-179.145.30000110.3R684 H886 Q888 R922 G926 M927R684-T924 HydrophobicContact CB-CG2 3.93Å; R684-T924 HydrophobicContact CG-CG2 3.59Å; H886-T924 HydrophobicContact CB-CG2 4.3Å; H886-T924 WeakPolarHBondContact O-CG2 3.21Å; Q888-T924 HydrophobicContact CG-CG2 4.22Å; Q888-T924 PolarHBondContact NE2-OG1 3.04Å; R922-T924 VanDerWaalsContact C-N 3.29Å; R922-T924 HydrophobicContact CB-CG2 4.2Å; R922-T924 PolarHBondContact O-N 3.49Å; T924-G926 PolarHBondContact O-N 3.01Å; T924-M927 PolarHBondContact O-N 2.61Å
925I96Very high95Very high83 Ų8334.8 Ų34.843%0.42619%0.189SC..Hα-helixtrans-66.1-29.5-175-54.7-56.1000111.2H679 M923 M927 L928 I929H679-I925 PolarHBondContact O-N 3.48Å; M923-I925 PolarHBondContact O-N 3.37Å; I925-M927 PolarHBondContact O-N 3.02Å; I925-M927 VanDerWaalsContact O-N 3.08Å; I925-L928 HydrophobicContact CD1-CD1 4.4Å; I925-L928 WeakPolarHBondContact O-CB 3.38Å; I925-L928 PolarHBondContact O-N 3.24Å; I925-I929 HydrophobicContact CG2-CD1 4.38Å; I925-I929 HydrophobicContact CG2-CG1 4.48Å; I925-I929 PolarHBondContact O-N 3.35Å; I925-I929 VanDerWaalsContact O-N 3.15Å
926G95.9Very high95Very high0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-53.7-30.7174.400000113.7N680 H886 T924 I929 E930N680-G926 WeakPolarHBondContact OD1-CA 3.18Å; N680-G926 PolarHBondContact OD1-N 3.24Å; N680-G926 VanDerWaalsContact OD1-N 3.15Å; H886-G926 PolarHBondContact CE1-O 3.38Å; H886-G926 VanDerWaalsContact CE1-O 3.29Å; H886-G926 PolarHBondContact NE2-O 3.26Å; T924-G926 PolarHBondContact O-N 3.01Å; G926-I929 PolarHBondContact O-N 3.04Å; G926-E930 WeakPolarHBondContact O-CB 3.43Å; G926-E930 PolarHBondContact O-N 3.08Å
927M96.5Very high95Very high3 Ų332.4 Ų32.42%0.01517%0.174CC..Hα-helixtrans-70.3-34177-177.8173.5164.800112.6V743 S884 H886 Q888 F919 T924 I925 S931 V996 Y998V743-M927 HydrophobicContact CG1-CE 4.41Å; S884-M927 PolarHBondContact OG-SD 3.15Å; H886-M927 HydrophobicContact CB-CB 4.1Å; H886-M927 VanDerWaalsContact CD2-CA 3.44Å; H886-M927 WeakPolarHBondContact CD2-CA 3.37Å; H886-M927 VanDerWaalsContact CD2-CB 3.46Å; H886-M927 WeakPolarHBondContact CD2-CB 3.44Å; H886-M927 PolarHBondContact CE1-N 2.84Å; H886-M927 PolarHBondContact ND1-N 2.78Å; H886-M927 WeakPolarHBondContact NE2-CA 3.49Å; H886-M927 PolarHBondContact NE2-N 2.79Å; Q888-M927 HydrophobicContact CB-SD 4.17Å; Q888-M927 HydrophobicContact CG-SD 3.95Å; F919-M927 HydrophobicContact CE1-CB 4.22Å; F919-M927 HydrophobicContact CE1-CG 4.37Å; F919-M927 HydrophobicContact CE1-SD 4.2Å; F919-M927 HydrophobicContact CZ-CE 4.32Å; F919-M927 HydrophobicContact CZ-CG 4.49Å; F919-M927 HydrophobicContact CZ-SD 4.13Å; T924-M927 PolarHBondContact O-N 2.61Å; I925-M927 PolarHBondContact O-N 3.02Å; I925-M927 VanDerWaalsContact O-N 3.08Å; M927-S931 WeakPolarHBondContact O-CB 3.25Å; M927-S931 PolarHBondContact O-N 3.3Å; M927-V996 HydrophobicContact CE-CG1 4.4Å; M927-V996 HydrophobicContact CG-CG1 4.28Å; M927-Y998 HydrophobicContact CE-CE2 4.18Å; M927-Y998 WeakPolarHBondContact CE-OH 3.21Å
928L95.8Very high95.1Very high47 Ų4728.5 Ų28.525%0.24617%0.166CC..Hα-helixtrans-70.4-40.8175.4-60.3176.5000110.3F919 I925 S931 M932 F992F919-L928 HydrophobicContact CD1-CD1 4.43Å; F919-L928 HydrophobicContact CD1-CD2 4.33Å; F919-L928 HydrophobicContact CD1-CG 4.26Å; F919-L928 HydrophobicContact CE1-CD2 3.72Å; F919-L928 HydrophobicContact CE1-CG 3.88Å; F919-L928 HydrophobicContact CE2-CD2 4.19Å; F919-L928 HydrophobicContact CZ-CD2 3.64Å; F919-L928 HydrophobicContact CZ-CG 4.33Å; I925-L928 HydrophobicContact CD1-CD1 4.4Å; I925-L928 WeakPolarHBondContact O-CB 3.38Å; I925-L928 PolarHBondContact O-N 3.24Å; L928-S931 WeakPolarHBondContact O-CB 3.49Å; L928-S931 PolarHBondContact O-N 2.94Å; L928-M932 PolarHBondContact O-N 3.29Å; L928-M932 VanDerWaalsContact O-N 3.14Å; L928-F992 HydrophobicContact CB-CE1 4.28Å; L928-F992 HydrophobicContact CB-CZ 4.13Å; L928-F992 HydrophobicContact CD2-CD1 4Å; L928-F992 HydrophobicContact CD2-CE1 3.6Å; L928-F992 HydrophobicContact CD2-CZ 4.19Å; L928-F992 WeakPolarHBondContact O-CZ 3.4Å
929I96.5Very high95.2Very high18 Ų1831.5 Ų31.59%0.09218%0.181CC..Hα-helixtrans-62.9-45.3173.3-56.8172.5000110.1Y676 H679 I925 G926 S931 M932 A933 A957 F961Y676-I929 HydrophobicContact CD1-CG2 4.49Å; Y676-I929 HydrophobicContact CD2-CB 3.98Å; Y676-I929 HydrophobicContact CD2-CG2 3.64Å; Y676-I929 HydrophobicContact CE1-CG2 4.42Å; Y676-I929 HydrophobicContact CE2-CB 4.27Å; Y676-I929 HydrophobicContact CE2-CG2 3.53Å; Y676-I929 HydrophobicContact CG-CG2 4.13Å; H679-I929 HydrophobicContact CB-CD1 4.07Å; I925-I929 HydrophobicContact CG2-CD1 4.38Å; I925-I929 HydrophobicContact CG2-CG1 4.48Å; I925-I929 PolarHBondContact O-N 3.35Å; I925-I929 VanDerWaalsContact O-N 3.15Å; G926-I929 PolarHBondContact O-N 3.04Å; I929-S931 VanDerWaalsContact C-N 3.27Å; I929-S931 PolarHBondContact O-N 3.15Å; I929-M932 PolarHBondContact O-N 2.83Å; I929-A933 VanDerWaalsContact O-CB 3.28Å; I929-A933 WeakPolarHBondContact O-CB 3.46Å; I929-A933 PolarHBondContact O-N 3.48Å; I929-A957 HydrophobicContact CD1-CB 4.2Å; I929-A957 HydrophobicContact CG2-CB 3.84Å; I929-F961 HydrophobicContact CG2-CD2 4.04Å; I929-F961 HydrophobicContact CG2-CE2 3.84Å
930E97.1Very high95.2Very high2 Ų234 Ų341%0.00919%0.192CC..Hα-helixtrans-57.4-41.5174.9-171-173.5163.700111.1P675 V722 R885 H886 G926 A933 G934 Y997P675-E930 WeakPolarHBondContact CG-OE2 3.35Å; V722-E930 HydrophobicContact CB-CG 4.03Å; V722-E930 HydrophobicContact CG1-CG 4.06Å; V722-E930 HydrophobicContact CG2-CG 4.35Å; R885-E930 IonicContact CZ-OE1 2.78Å; R885-E930 IonicContact NE-OE1 3.8Å; R885-E930 IonicContact NE-OE2 2.85Å; R885-E930 VanDerWaalsContact NH2-CD 3.32Å; R885-E930 IonicContact NH2-OE1 3.89Å; R885-E930 PolarHBondContact NH2-OE1 3.48Å; R885-E930 IonicContact NH2-OE2 2.61Å; H886-E930 IonicContact CD2-OE2 3.34Å; H886-E930 PolarHBondContact CD2-OE2 3.49Å; H886-E930 IonicContact NE2-OE2 2.77Å; H886-E930 PolarHBondContact NE2-OE2 3.44Å; G926-E930 WeakPolarHBondContact O-CB 3.43Å; G926-E930 PolarHBondContact O-N 3.08Å; E930-A933 PolarHBondContact O-N 3.2Å; E930-G934 PolarHBondContact O-N 3Å; E930-Y997 WeakPolarHBondContact OE1-CB 3.44Å; E930-Y997 PolarHBondContact OE1-N 3.3Å
931S96.7Very high95Very high3 Ų332.2 Ų32.22%0.02119%0.192CC..Hα-helixtrans-60.3-48.2178.6-171.70000112.7M927 L928 I929 K935 F992 G994 V995M927-S931 WeakPolarHBondContact O-CB 3.25Å; M927-S931 PolarHBondContact O-N 3.3Å; L928-S931 WeakPolarHBondContact O-CB 3.49Å; L928-S931 PolarHBondContact O-N 2.94Å; I929-S931 VanDerWaalsContact C-N 3.27Å; I929-S931 PolarHBondContact O-N 3.15Å; S931-K935 WeakPolarHBondContact O-CB 3.41Å; S931-K935 PolarHBondContact O-N 2.84Å; S931-K935 VanDerWaalsContact O-N 3.07Å; S931-F992 WeakPolarHBondContact OG-CE1 3.48Å; S931-G994 WeakPolarHBondContact OG-CA 3.25Å; S931-G994 PolarHBondContact OG-N 3.48Å; S931-V995 PolarHBondContact O-N 3.23Å
932M96.6Very high95Very high11 Ų1131.9 Ų31.95%0.05418%0.184CC..Hα-helixtrans-65.5-46.6177-67.6-179.270.600111.6L928 I929 G934 K935 S936 L958 F961 L965 Y972 F992L928-M932 PolarHBondContact O-N 3.29Å; L928-M932 VanDerWaalsContact O-N 3.14Å; I929-M932 PolarHBondContact O-N 2.83Å; M932-G934 PolarHBondContact O-N 3.33Å; M932-K935 PolarHBondContact O-N 3.14Å; M932-S936 WeakPolarHBondContact O-CB 3.5Å; M932-S936 PolarHBondContact O-N 3.22Å; M932-L958 HydrophobicContact CE-CD1 3.93Å; M932-L958 HydrophobicContact SD-CD1 3.93Å; M932-F961 HydrophobicContact CB-CB 4.14Å; M932-F961 HydrophobicContact CE-CB 4.38Å; M932-L965 HydrophobicContact CB-CD1 4.12Å; M932-L965 HydrophobicContact CE-CD1 3.73Å; M932-L965 HydrophobicContact CG-CD1 4.29Å; M932-Y972 VanDerWaalsContact CE-O 3.29Å; M932-Y972 WeakPolarHBondContact CE-O 3.39Å; M932-F992 HydrophobicContact CG-CE2 3.89Å; M932-F992 HydrophobicContact CG-CZ 3.75Å; M932-F992 HydrophobicContact SD-CE2 4.25Å; M932-F992 HydrophobicContact SD-CZ 4.45Å
933A96.4Very high95Very high0 Ų031.1 Ų31.10%018%0.184CC..Hα-helixtrans-61.3-45.3178.300000111Y676 V722 I929 E930 K935 S936 A937 H944 F961Y676-A933 HydrophobicContact CE2-CB 4.49Å; V722-A933 HydrophobicContact CG1-CB 4.2Å; V722-A933 HydrophobicContact CG2-CB 3.65Å; I929-A933 VanDerWaalsContact O-CB 3.28Å; I929-A933 WeakPolarHBondContact O-CB 3.46Å; I929-A933 PolarHBondContact O-N 3.48Å; E930-A933 PolarHBondContact O-N 3.2Å; A933-K935 VanDerWaalsContact C-N 3.33Å; A933-K935 PolarHBondContact O-N 2.89Å; A933-S936 PolarHBondContact O-N 2.88Å; A933-A937 WeakPolarHBondContact O-CB 3.43Å; A933-A937 PolarHBondContact O-N 3.09Å; A933-H944 HydrophobicContact CB-CB 4.49Å; A933-H944 PolarHBondContact O-CD2 3.2Å; A933-F961 HydrophobicContact CB-CD1 3.92Å; A933-F961 HydrophobicContact CB-CD2 4.11Å; A933-F961 HydrophobicContact CB-CE1 3.61Å; A933-F961 HydrophobicContact CB-CE2 3.83Å; A933-F961 HydrophobicContact CB-CG 4.18Å; A933-F961 HydrophobicContact CB-CZ 3.59Å
934G96.8Very high95Very high1 Ų126.4 Ų26.41%0.0116%0.161CC..Hα-helixtrans-64.7-38.1-179.400000112.4V722 E930 M932 A937 A938V722-G934 VanDerWaalsContact CG2-CA 3.48Å; V722-G934 VanDerWaalsContact CG2-N 3.28Å; E930-G934 PolarHBondContact O-N 3Å; M932-G934 PolarHBondContact O-N 3.33Å; G934-A937 PolarHBondContact O-N 2.85Å; G934-A938 WeakPolarHBondContact O-CB 3.24Å; G934-A938 PolarHBondContact O-N 3Å
935K96.1Very high95Very high11 Ų1128.4 Ų28.45%0.04817%0.171CC..Hα-helixtrans-63.3-49.2172.9-173.6179.9-169.61680111.6S931 M932 A933 A937 A938 L939 L965 G974 E976 I993S931-K935 WeakPolarHBondContact O-CB 3.41Å; S931-K935 PolarHBondContact O-N 2.84Å; S931-K935 VanDerWaalsContact O-N 3.07Å; M932-K935 PolarHBondContact O-N 3.14Å; A933-K935 VanDerWaalsContact C-N 3.33Å; A933-K935 PolarHBondContact O-N 2.89Å; K935-A937 VanDerWaalsContact C-N 3.33Å; K935-A937 PolarHBondContact O-N 2.84Å; K935-A938 PolarHBondContact O-N 3.27Å; K935-L939 HydrophobicContact CG-CD1 4.29Å; K935-L939 VanDerWaalsContact O-CG 3.3Å; K935-L939 WeakPolarHBondContact O-CG 3.19Å; K935-L939 PolarHBondContact O-N 3.33Å; K935-L965 HydrophobicContact CB-CD2 4.1Å; K935-L965 HydrophobicContact CD-CD2 3.79Å; K935-L965 HydrophobicContact CG-CD2 3.81Å; K935-G974 PolarHBondContact NZ-O 3.41Å; K935-E976 WeakPolarHBondContact CE-OE1 3.46Å; K935-E976 IonicContact NZ-OE1 3.91Å; K935-E976 PolarHBondContact NZ-OE1 3.09Å; K935-I993 WeakPolarHBondContact CD-O 3.49Å; K935-I993 PolarHBondContact NZ-O 2.87Å
936S96.1Very high94.9Very high0 Ų024.5 Ų24.50%015%0.151CC..Hα-helixtrans-57.7-44174.3169.70000112.1M932 A933 A938 L939 H940 H944 M964M932-S936 WeakPolarHBondContact O-CB 3.5Å; M932-S936 PolarHBondContact O-N 3.22Å; A933-S936 PolarHBondContact O-N 2.88Å; S936-A938 PolarHBondContact O-N 3.24Å; S936-L939 PolarHBondContact O-N 2.6Å; S936-H940 PolarHBondContact O-CD2 3.3Å; S936-H940 VanDerWaalsContact O-CD2 3.23Å; S936-H940 PolarHBondContact O-N 3.36Å; S936-H944 PolarHBondContact OG-NE2 2.88Å; S936-H944 VanDerWaalsContact OG-NE2 3.13Å; S936-M964 WeakPolarHBondContact OG-CB 3.11Å; S936-M964 WeakPolarHBondContact OG-CE 3.27Å
937A95Very high94.9Very high1 Ų124.8 Ų24.81%0.00815%0.153CC..Hα-helixtrans-59.4-45176.400000112.2L721 A933 G934 K935 L939 G941 L942L721-A937 HydrophobicContact CB-CB 3.93Å; L721-A937 HydrophobicContact CD1-CB 4.42Å; A933-A937 WeakPolarHBondContact O-CB 3.43Å; A933-A937 PolarHBondContact O-N 3.09Å; G934-A937 PolarHBondContact O-N 2.85Å; K935-A937 VanDerWaalsContact C-N 3.33Å; K935-A937 PolarHBondContact O-N 2.84Å; A937-L939 VanDerWaalsContact C-N 3.35Å; A937-L939 PolarHBondContact O-N 3Å; A937-G941 WeakPolarHBondContact O-CA 3.41Å; A937-G941 PolarHBondContact O-N 2.88Å; A937-L942 VanDerWaalsContact CB-O 3.22Å; A937-L942 WeakPolarHBondContact CB-O 3.47Å; A937-L942 PolarHBondContact O-N 3.07Å
938A94.4Very high94.8Very high58 Ų5824.8 Ų24.848%0.47915%0.153SC..Hα-helixtrans-65.2-36.9178.400000112.7L721 G934 K935 S936 V995L721-A938 HydrophobicContact CD1-CB 4.13Å; G934-A938 WeakPolarHBondContact O-CB 3.24Å; G934-A938 PolarHBondContact O-N 3Å; K935-A938 PolarHBondContact O-N 3.27Å; S936-A938 PolarHBondContact O-N 3.24Å; A938-V995 HydrophobicContact CB-CG2 4.44Å
939L93.6Very high94.6Very high69 Ų6927 Ų2736%0.36116%0.161SC..Hα-helixtrans-71.2-46.9179.7-69169000112.7K935 S936 A937 L965 Y970K935-L939 HydrophobicContact CG-CD1 4.29Å; K935-L939 VanDerWaalsContact O-CG 3.3Å; K935-L939 WeakPolarHBondContact O-CG 3.19Å; K935-L939 PolarHBondContact O-N 3.33Å; S936-L939 PolarHBondContact O-N 2.6Å; A937-L939 VanDerWaalsContact C-N 3.35Å; A937-L939 PolarHBondContact O-N 3Å; L939-L965 HydrophobicContact CD1-CD2 4.13Å; L939-Y970 HydrophobicContact CD1-CD2 3.38Å; L939-Y970 HydrophobicContact CD1-CE2 3.51Å; L939-Y970 HydrophobicContact CD1-CG 4.27Å; L939-Y970 HydrophobicContact CD2-CD2 4.15Å; L939-Y970 HydrophobicContact CD2-CE2 3.37Å; L939-Y970 HydrophobicContact CG-CD2 4.41Å; L939-Y970 HydrophobicContact CG-CE2 4.06Å
940H93.4Very high94.3Very high72 Ų7229.5 Ų29.533%0.33318%0.177SC..Hα-helixtrans-91.3-5-173.8-62.8-63.6000113.2S936 L942 M964S936-H940 PolarHBondContact O-CD2 3.3Å; S936-H940 VanDerWaalsContact O-CD2 3.23Å; S936-H940 PolarHBondContact O-N 3.36Å; H940-L942 VanDerWaalsContact C-N 3.32Å; H940-L942 HydrophobicContact CB-CD1 3.72Å; H940-L942 HydrophobicContact CB-CG 3.8Å; H940-M964 PolarHBondContact NE2-O 2.57Å
941G90Very high94Very high63 Ų6330.6 Ų30.665%0.64918%0.182SC*.THydrogen-bonded Turntrans68.330.7-175.800000113.3A937A937-G941 WeakPolarHBondContact O-CA 3.41Å; A937-G941 PolarHBondContact O-N 2.88Å
942L90.3Very high93.6Very high78 Ų7833.3 Ų33.341%0.40820%0.201SC..  trans-105.4166.3-175.6-60.4175.7000111.5A937 H940 M964A937-L942 VanDerWaalsContact CB-O 3.22Å; A937-L942 WeakPolarHBondContact CB-O 3.47Å; A937-L942 PolarHBondContact O-N 3.07Å; H940-L942 VanDerWaalsContact C-N 3.32Å; H940-L942 HydrophobicContact CB-CD1 3.72Å; H940-L942 HydrophobicContact CB-CG 3.8Å; L942-M964 HydrophobicContact CD1-CE 3.82Å
943S92.1Very high93.2Very high22 Ų2241.5 Ų41.515%0.15424%0.239CC..  trans-120.4126.7163.3-177.80000108.5L721L721-S943 VanDerWaalsContact O-CA 3.26Å; L721-S943 WeakPolarHBondContact O-CA 3.12Å; L721-S943 WeakPolarHBondContact O-CB 3.45Å; L721-S943 PolarHBondContact O-OG 3.38Å
944H94.5Very high92.8Very high12 Ų1249 Ų496%0.05627%0.274CS..EExtended strand (participates in β ladder)trans-93.9136.7-175.5-74.7-59.1000111.5L721 R723 A933 S936 A946 F961 M964L721-H944 PolarHBondContact O-N 3.24Å; L721-H944 VanDerWaalsContact O-N 3.16Å; R723-H944 PolarHBondContact N-O 2.88Å; A933-H944 HydrophobicContact CB-CB 4.49Å; A933-H944 PolarHBondContact O-CD2 3.2Å; S936-H944 PolarHBondContact OG-NE2 2.88Å; S936-H944 VanDerWaalsContact OG-NE2 3.13Å; H944-A946 PolarHBondContact O-N 3.17Å; H944-F961 HydrophobicContact CB-CE1 4.22Å; H944-F961 HydrophobicContact CB-CZ 4.45Å; H944-F961 AromaticContact CD2-CE1 3.85Å; H944-F961 AromaticContact CE1-CE1 3.94Å; H944-F961 AromaticContact CG-CE1 3.7Å; H944-F961 AromaticContact ND1-CE1 3.78Å; H944-F961 AromaticContact NE2-CE1 3.99Å; H944-M964 PolarHBondContact CE1-SD 3.32Å
945D94.8Very high92.4Very high43 Ų4353 Ų5323%0.2330%0.295CS..EExtended strand (participates in β ladder)trans-71.3123.8172.7-169.815.2000110.5P14 Y676 P724 Y725 T947P14-D945 HydrophobicContact CG-CB 4.04Å; Y676-D945 PolarHBondContact OH-O 2.88Å; P724-D945 WeakPolarHBondContact CA-OD1 3.21Å; Y725-D945 PolarHBondContact N-OD1 3.12Å; D945-T947 WeakPolarHBondContact OD1-CB 3.4Å; D945-T947 PolarHBondContact OD1-N 3.08Å; D945-T947 VanDerWaalsContact OD1-N 3.08Å; D945-T947 PolarHBondContact OD1-OG1 3.23Å; D945-T947 PolarHBondContact OD2-OG1 3.09Å
946A95.4Very high92.2Very high0 Ų053.9 Ų53.90%030%0.303CS..  trans-114.621.3-179.600000113.1P675 Y676 V722 R723 P724 H944P675-A946 HydrophobicContact CB-CB 3.43Å; P675-A946 VanDerWaalsContact CB-CB 3.43Å; Y676-A946 HydrophobicContact CD1-CB 4.31Å; Y676-A946 HydrophobicContact CD2-CB 4.29Å; Y676-A946 VanDerWaalsContact CE1-CA 3.5Å; Y676-A946 HydrophobicContact CE1-CB 3.91Å; Y676-A946 HydrophobicContact CE2-CB 3.91Å; Y676-A946 HydrophobicContact CG-CB 4.49Å; Y676-A946 PolarHBondContact N-O 3.2Å; V722-A946 HydrophobicContact CG1-CB 3.57Å; R723-A946 PolarHBondContact O-N 3.36Å; R723-A946 VanDerWaalsContact O-N 3.14Å; P724-A946 HydrophobicContact CG-CB 4.44Å; H944-A946 PolarHBondContact O-N 3.17Å
947T95Very high92.1Very high7 Ų754.2 Ų54.24%0.04331%0.305CS..  trans-58.3136.1176.9-58.70000110.2H664 Y725 D945 T950H664-T947 VanDerWaalsContact CD2-CG2 3.45Å; H664-T947 WeakPolarHBondContact CD2-CG2 3.23Å; Y725-T947 HydrophobicContact CD1-CG2 4.26Å; Y725-T947 WeakPolarHBondContact CD1-OG1 3.34Å; Y725-T947 HydrophobicContact CE1-CG2 3.78Å; Y725-T947 WeakPolarHBondContact CE1-OG1 3.45Å; Y725-T947 PolarHBondContact N-OG1 3.36Å; D945-T947 WeakPolarHBondContact OD1-CB 3.4Å; D945-T947 PolarHBondContact OD1-N 3.08Å; D945-T947 VanDerWaalsContact OD1-N 3.08Å; D945-T947 PolarHBondContact OD1-OG1 3.23Å; D945-T947 PolarHBondContact OD2-OG1 3.09Å; T947-T950 PolarHBondContact O-OG1 2.85Å
948P94Very high92Very high3 Ų358 Ų582%0.01933%0.325CS..THydrogen-bonded Turntrans-61.5149176.9-2233.6000111.8L667 S677 D678 T950L667-P948 HydrophobicContact CD1-CG 4.14Å; S677-P948 WeakPolarHBondContact OG-CG 3.21Å; D678-P948 HydrophobicContact CB-CB 4.42Å; P948-T950 VanDerWaalsContact C-N 3.25Å; P948-T950 PolarHBondContact O-N 2.61Å
949F92.3Very high91.9Very high92 Ų9260 Ų6040%0.40432%0.324SS..THydrogen-bonded Turntrans68.414.1179.6-41.7-68.6000115.5P663 M666 D678P663-F949 HydrophobicContact CB-CB 4.11Å; P663-F949 HydrophobicContact CB-CD2 3.8Å; P663-F949 HydrophobicContact CB-CG 4.18Å; M666-F949 HydrophobicContact CE-CE2 3.71Å; M666-F949 HydrophobicContact CE-CZ 3.46Å; M666-F949 VanDerWaalsContact CE-CZ 3.46Å; D678-F949 HydrophobicContact CB-CD1 4.04Å; D678-F949 HydrophobicContact CB-CE1 3.81Å; D678-F949 HydrophobicContact CB-CZ 4.4Å; D678-F949 WeakPolarHBondContact OD2-CA 3.19Å; D678-F949 PolarHBondContact OD2-N 3.02Å
950T89.3Confident92Very high71 Ų7161.6 Ų61.644%0.43633%0.327SS..SBendtrans-72.1-35.8173-60.90000112.2T947 P948T947-T950 PolarHBondContact O-OG1 2.85Å; P948-T950 VanDerWaalsContact C-N 3.25Å; P948-T950 PolarHBondContact O-N 2.61Å
951F91.6Very high92.1Very high26 Ų2658.3 Ų58.311%0.11431%0.311CS..  trans-98.4154.1177.9-65.8-72.4000110.8Y676 N955 A957 Y960 F961Y676-F951 HydrophobicContact CD1-CD2 4.42Å; Y676-F951 HydrophobicContact CD1-CE2 4.47Å; Y676-F951 HydrophobicContact CE1-CD2 4.05Å; Y676-F951 AromaticContact CE1-CE2 3.68Å; Y676-F951 HydrophobicContact CE1-CE2 3.68Å; F951-N955 WeakPolarHBondContact CD1-O 3.14Å; F951-A957 HydrophobicContact CB-CB 4.35Å; F951-A957 HydrophobicContact CD1-CB 4.07Å; F951-A957 HydrophobicContact CD2-CB 3.61Å; F951-A957 HydrophobicContact CE1-CB 4.26Å; F951-A957 HydrophobicContact CE2-CB 3.81Å; F951-A957 HydrophobicContact CG-CB 3.75Å; F951-A957 HydrophobicContact CZ-CB 4.13Å; F951-Y960 HydrophobicContact CE1-CD1 4.15Å; F951-Y960 HydrophobicContact CE1-CG 4.06Å; F951-Y960 AromaticContact CZ-CD1 3.98Å; F951-Y960 HydrophobicContact CZ-CD1 3.98Å; F951-Y960 HydrophobicContact CZ-CG 4.37Å; F951-F961 AromaticContact CE2-CE2 3.88Å; F951-F961 HydrophobicContact CE2-CE2 3.88Å; F951-F961 HydrophobicContact CE2-CZ 4.17Å; F951-F961 AromaticContact CZ-CE2 3.79Å; F951-F961 HydrophobicContact CZ-CE2 3.79Å; F951-F961 AromaticContact CZ-CZ 3.91Å; F951-F961 HydrophobicContact CZ-CZ 3.91Å
952S88.7Confident92.4Very high59 Ų5955.3 Ų55.341%0.41328%0.28SS..  trans-130.6179.1177.277.30000110.6Q954 N955S952-Q954 PolarHBondContact O-N 2.77Å; S952-Q954 PolarHBondContact OG-N 3.06Å; S952-Q954 PolarHBondContact OG-OE1 3.44Å; S952-N955 PolarHBondContact N-O 3.23Å; S952-N955 VanDerWaalsContact N-O 3.13Å; S952-N955 CarbonylContact O-C 3.55Å; S952-N955 VanDerWaalsContact O-C 3.23Å; S952-N955 PolarHBondContact O-N 3.3Å; S952-N955 PolarHBondContact OG-N 2.85Å
953E88.3Confident92.7Very high183 Ų18357.3 Ų57.386%0.85529%0.288SS*.SBendtrans-65.9-27.5174.1-64.9-174.4167.800112.6
954Q86.8Confident92.8Very high159 Ų15957.9 Ų57.974%0.74329%0.288SS*.SBendtrans-85.8-25.5177.9-56.877.919.900113S952S952-Q954 PolarHBondContact O-N 2.77Å; S952-Q954 PolarHBondContact OG-N 3.06Å; S952-Q954 PolarHBondContact OG-OE1 3.44Å
955N89.1Confident92.9Very high84 Ų8457.3 Ų57.345%0.44929%0.286SS..SBendtrans-123.785.2176.1-178.315.2000108.7F951 S952F951-N955 WeakPolarHBondContact CD1-O 3.14Å; S952-N955 PolarHBondContact N-O 3.23Å; S952-N955 VanDerWaalsContact N-O 3.13Å; S952-N955 CarbonylContact O-C 3.55Å; S952-N955 VanDerWaalsContact O-C 3.23Å; S952-N955 PolarHBondContact O-N 3.3Å; S952-N955 PolarHBondContact OG-N 2.85Å
956S92.6Very high93Very high30 Ų3062.4 Ų62.421%0.2130%0.302CS..  trans-79140.2-171.778.30000112L958 E959 Y960S956-L958 PolarHBondContact O-N 3.42Å; S956-E959 PolarHBondContact O-N 2.81Å; S956-E959 WeakPolarHBondContact OG-CB 3.47Å; S956-E959 VanDerWaalsContact OG-CG 3.24Å; S956-E959 WeakPolarHBondContact OG-CG 3.42Å; S956-E959 PolarHBondContact OG-N 3.16Å; S956-E959 PolarHBondContact OG-OE2 3.36Å; S956-Y960 PolarHBondContact O-N 3.04Å
957A92.7Very high93Very high6 Ų666.3 Ų66.35%0.0533%0.334CS..Hα-helixtrans-60.1-31.6174.700000112.4I929 F951 F961I929-A957 HydrophobicContact CD1-CB 4.2Å; I929-A957 HydrophobicContact CG2-CB 3.84Å; F951-A957 HydrophobicContact CB-CB 4.35Å; F951-A957 HydrophobicContact CD1-CB 4.07Å; F951-A957 HydrophobicContact CD2-CB 3.61Å; F951-A957 HydrophobicContact CE1-CB 4.26Å; F951-A957 HydrophobicContact CE2-CB 3.81Å; F951-A957 HydrophobicContact CG-CB 3.75Å; F951-A957 HydrophobicContact CZ-CB 4.13Å; A957-F961 HydrophobicContact CB-CD2 4.31Å; A957-F961 HydrophobicContact CB-CE2 4.26Å; A957-F961 WeakPolarHBondContact O-CD2 3.27Å; A957-F961 PolarHBondContact O-N 2.92Å
958L92.3Very high92.8Very high82 Ų8267.4 Ų67.443%0.42935%0.346SS..Hα-helixtrans-64.2-47.4179.7177.866.3000111.6M932 S956 G962M932-L958 HydrophobicContact CE-CD1 3.93Å; M932-L958 HydrophobicContact SD-CD1 3.93Å; S956-L958 PolarHBondContact O-N 3.42Å; L958-G962 WeakPolarHBondContact O-CA 3.44Å; L958-G962 PolarHBondContact O-N 3.03Å
959E94Very high92.8Very high98 Ų9870.7 Ų70.746%0.45838%0.381SS..Hα-helixtrans-64.8-48.1179-72.4161.615900111S956 F961 G962 E963 Y972S956-E959 PolarHBondContact O-N 2.81Å; S956-E959 WeakPolarHBondContact OG-CB 3.47Å; S956-E959 VanDerWaalsContact OG-CG 3.24Å; S956-E959 WeakPolarHBondContact OG-CG 3.42Å; S956-E959 PolarHBondContact OG-N 3.16Å; S956-E959 PolarHBondContact OG-OE2 3.36Å; E959-F961 PolarHBondContact O-N 3.44Å; E959-G962 PolarHBondContact O-N 3.33Å; E959-E963 WeakPolarHBondContact O-CG 3.06Å; E959-E963 PolarHBondContact O-N 3.28Å; E959-Y972 WeakPolarHBondContact CA-OH 3.29Å; E959-Y972 WeakPolarHBondContact CG-OH 3.46Å
960Y95.1Very high92.9Very high104 Ų10469 Ų6941%0.40837%0.372SS..Hα-helixtrans-56-55.1179.1-178.1-99000112.3F951 S956 M964F951-Y960 HydrophobicContact CE1-CD1 4.15Å; F951-Y960 HydrophobicContact CE1-CG 4.06Å; F951-Y960 AromaticContact CZ-CD1 3.98Å; F951-Y960 HydrophobicContact CZ-CD1 3.98Å; F951-Y960 HydrophobicContact CZ-CG 4.37Å; S956-Y960 PolarHBondContact O-N 3.04Å; Y960-M964 HydrophobicContact CD1-SD 4.38Å; Y960-M964 HydrophobicContact CE1-SD 3.72Å; Y960-M964 WeakPolarHBondContact O-CG 3.39Å; Y960-M964 PolarHBondContact O-N 2.89Å
961F96Very high93.3Very high2 Ų268.5 Ų68.51%0.00937%0.367CS..Hα-helixtrans-73.4-30.2-179.3-65.3-56.3000112.8Y676 I929 M932 A933 H944 F951 A957 E959 M964 L965Y676-F961 WeakPolarHBondContact OH-CE2 3.32Å; Y676-F961 WeakPolarHBondContact OH-CZ 3.33Å; I929-F961 HydrophobicContact CG2-CD2 4.04Å; I929-F961 HydrophobicContact CG2-CE2 3.84Å; M932-F961 HydrophobicContact CB-CB 4.14Å; M932-F961 HydrophobicContact CE-CB 4.38Å; A933-F961 HydrophobicContact CB-CD1 3.92Å; A933-F961 HydrophobicContact CB-CD2 4.11Å; A933-F961 HydrophobicContact CB-CE1 3.61Å; A933-F961 HydrophobicContact CB-CE2 3.83Å; A933-F961 HydrophobicContact CB-CG 4.18Å; A933-F961 HydrophobicContact CB-CZ 3.59Å; H944-F961 HydrophobicContact CB-CE1 4.22Å; H944-F961 HydrophobicContact CB-CZ 4.45Å; H944-F961 AromaticContact CD2-CE1 3.85Å; H944-F961 AromaticContact CE1-CE1 3.94Å; H944-F961 AromaticContact CG-CE1 3.7Å; H944-F961 AromaticContact ND1-CE1 3.78Å; H944-F961 AromaticContact NE2-CE1 3.99Å; F951-F961 AromaticContact CE2-CE2 3.88Å; F951-F961 HydrophobicContact CE2-CE2 3.88Å; F951-F961 HydrophobicContact CE2-CZ 4.17Å; F951-F961 AromaticContact CZ-CE2 3.79Å; F951-F961 HydrophobicContact CZ-CE2 3.79Å; F951-F961 AromaticContact CZ-CZ 3.91Å; F951-F961 HydrophobicContact CZ-CZ 3.91Å; A957-F961 HydrophobicContact CB-CD2 4.31Å; A957-F961 HydrophobicContact CB-CE2 4.26Å; A957-F961 WeakPolarHBondContact O-CD2 3.27Å; A957-F961 PolarHBondContact O-N 2.92Å; E959-F961 PolarHBondContact O-N 3.44Å; F961-M964 HydrophobicContact CD1-SD 4.47Å; F961-M964 PolarHBondContact O-N 2.92Å; F961-L965 VanDerWaalsContact O-CG 3.28Å; F961-L965 WeakPolarHBondContact O-CG 3.41Å; F961-L965 PolarHBondContact O-N 3.36Å
962G95.8Very high93.5Very high0 Ų069 Ų690%037%0.369CS..Hα-helixtrans-66.2-40.9177.800000112.8L958 E959 L965 R966 Y972L958-G962 WeakPolarHBondContact O-CA 3.44Å; L958-G962 PolarHBondContact O-N 3.03Å; E959-G962 PolarHBondContact O-N 3.33Å; G962-L965 PolarHBondContact O-N 3.18Å; G962-R966 WeakPolarHBondContact O-CB 3.36Å; G962-R966 PolarHBondContact O-N 2.86Å; G962-Y972 WeakPolarHBondContact CA-O 3.45Å; G962-Y972 VanDerWaalsContact O-CD2 3.3Å; G962-Y972 WeakPolarHBondContact O-CD2 3.21Å
963E96.3Very high93.8Very high120 Ų12073.1 Ų73.156%0.56138%0.376SS*.Hα-helixtrans-64.2-41173.2-71.9-174.3168.100111.9E959 L965 R966 A967 Y972E959-E963 WeakPolarHBondContact O-CG 3.06Å; E959-E963 PolarHBondContact O-N 3.28Å; E963-L965 PolarHBondContact O-N 2.84Å; E963-R966 PolarHBondContact O-N 2.92Å; E963-A967 WeakPolarHBondContact O-CB 3.27Å; E963-A967 PolarHBondContact O-N 3.03Å; E963-Y972 HydrophobicContact CG-CE2 4.19Å
964M95.3Very high94Very high34 Ų3464.4 Ų64.417%0.16734%0.336CS..Hα-helixtrans-64.8-37.5176-67.5-168.476.700113.1S936 H940 L942 H944 Y960 F961 A967 G968S936-M964 WeakPolarHBondContact OG-CB 3.11Å; S936-M964 WeakPolarHBondContact OG-CE 3.27Å; H940-M964 PolarHBondContact NE2-O 2.57Å; L942-M964 HydrophobicContact CD1-CE 3.82Å; H944-M964 PolarHBondContact CE1-SD 3.32Å; Y960-M964 HydrophobicContact CD1-SD 4.38Å; Y960-M964 HydrophobicContact CE1-SD 3.72Å; Y960-M964 WeakPolarHBondContact O-CG 3.39Å; Y960-M964 PolarHBondContact O-N 2.89Å; F961-M964 HydrophobicContact CD1-SD 4.47Å; F961-M964 PolarHBondContact O-N 2.92Å; M964-A967 PolarHBondContact O-N 3.26Å; M964-G968 PolarHBondContact O-N 3.41Å; M964-G968 VanDerWaalsContact O-N 3.07Å
965L95.9Very high94.4Very high0 Ų058.2 Ų58.20%031%0.309CS..Hα-helixtrans-68.2-41.4175.2-72.8173000111.2M932 K935 L939 F961 G962 E963 A967 G968 G969 Y970M932-L965 HydrophobicContact CB-CD1 4.12Å; M932-L965 HydrophobicContact CE-CD1 3.73Å; M932-L965 HydrophobicContact CG-CD1 4.29Å; K935-L965 HydrophobicContact CB-CD2 4.1Å; K935-L965 HydrophobicContact CD-CD2 3.79Å; K935-L965 HydrophobicContact CG-CD2 3.81Å; L939-L965 HydrophobicContact CD1-CD2 4.13Å; F961-L965 VanDerWaalsContact O-CG 3.28Å; F961-L965 WeakPolarHBondContact O-CG 3.41Å; F961-L965 PolarHBondContact O-N 3.36Å; G962-L965 PolarHBondContact O-N 3.18Å; E963-L965 PolarHBondContact O-N 2.84Å; L965-A967 VanDerWaalsContact C-N 3.31Å; L965-A967 PolarHBondContact O-N 2.95Å; L965-G968 CarbonylContact O-C 3.39Å; L965-G968 WeakPolarHBondContact O-CA 2.99Å; L965-G968 PolarHBondContact O-N 2.81Å; L965-G969 PolarHBondContact O-N 2.96Å; L965-Y970 PolarHBondContact O-N 3.04Å
966R96.2Very high94.7Very high150 Ų15055.1 Ų55.157%0.56629%0.291SS*.Hα-helixtrans-59.3-43173.2-173.9-175-66.8156-0111.3G962 E963 G968 G969G962-R966 WeakPolarHBondContact O-CB 3.36Å; G962-R966 PolarHBondContact O-N 2.86Å; E963-R966 PolarHBondContact O-N 2.92Å; R966-G968 PolarHBondContact O-N 3.34Å; R966-G969 PolarHBondContact O-N 3.3Å
967A95.1Very high94.9Very high83 Ų8360.6 Ų60.669%0.68631%0.307SS*.Hα-helixtrans-63.1-30.4174.800000112.7E963 M964 L965 G969E963-A967 WeakPolarHBondContact O-CB 3.27Å; E963-A967 PolarHBondContact O-N 3.03Å; M964-A967 PolarHBondContact O-N 3.26Å; L965-A967 VanDerWaalsContact C-N 3.31Å; L965-A967 PolarHBondContact O-N 2.95Å; A967-G969 VanDerWaalsContact C-N 3.29Å
968G92.8Very high95Very high29 Ų2960.4 Ų60.430%0.29931%0.306SS..THydrogen-bonded Turntrans-81.22.2172.900000115M964 L965 R966 Y970M964-G968 PolarHBondContact O-N 3.41Å; M964-G968 VanDerWaalsContact O-N 3.07Å; L965-G968 CarbonylContact O-C 3.39Å; L965-G968 WeakPolarHBondContact O-CA 2.99Å; L965-G968 PolarHBondContact O-N 2.81Å; R966-G968 PolarHBondContact O-N 3.34Å; G968-Y970 WeakPolarHBondContact O-CD2 3.25Å
969G93.5Very high95.3Very high72 Ų7258.9 Ų58.974%0.74230%0.295SS*.THydrogen-bonded Turntrans82.710.2-179.600000115.4L965 R966 A967L965-G969 PolarHBondContact O-N 2.96Å; R966-G969 PolarHBondContact O-N 3.3Å; A967-G969 VanDerWaalsContact C-N 3.29Å
970Y94.9Very high95.4Very high56 Ų5654.8 Ų54.822%0.2228%0.276CS..SBendtrans-98.5167.7177.2-75.2-94.2000112.1L939 L965 G968 Y972 E976L939-Y970 HydrophobicContact CD1-CD2 3.38Å; L939-Y970 HydrophobicContact CD1-CE2 3.51Å; L939-Y970 HydrophobicContact CD1-CG 4.27Å; L939-Y970 HydrophobicContact CD2-CD2 4.15Å; L939-Y970 HydrophobicContact CD2-CE2 3.37Å; L939-Y970 HydrophobicContact CG-CD2 4.41Å; L939-Y970 HydrophobicContact CG-CE2 4.06Å; L965-Y970 PolarHBondContact O-N 3.04Å; G968-Y970 WeakPolarHBondContact O-CD2 3.25Å; Y970-Y972 PolarHBondContact O-N 2.85Å; Y970-E976 HydrophobicContact CD1-CG 3.93Å; Y970-E976 VanDerWaalsContact CE1-CD 3.43Å; Y970-E976 HydrophobicContact CE1-CG 4.19Å; Y970-E976 WeakPolarHBondContact CE1-OE1 3.36Å
971N95.8Very high95.4Very high61 Ų6150.8 Ų50.833%0.32627%0.267SS..  trans-61.5137.5172.7-166-46.1000110.4Y973 G974 T975N971-Y973 PolarHBondContact O-N 2.97Å; N971-Y973 PolarHBondContact OD1-N 2.93Å; N971-G974 PolarHBondContact O-N 3.4Å; N971-T975 WeakPolarHBondContact CB-O 3.36Å; N971-T975 PolarHBondContact ND2-OG1 3.26Å
972Y95.8Very high95.3Very high38 Ų3856 Ų5615%0.14930%0.295CS..THydrogen-bonded Turntrans-53.2-37.7176.9177.7-93.8000113.2M932 E959 G962 E963 Y970 G974M932-Y972 VanDerWaalsContact CE-O 3.29Å; M932-Y972 WeakPolarHBondContact CE-O 3.39Å; E959-Y972 WeakPolarHBondContact CA-OH 3.29Å; E959-Y972 WeakPolarHBondContact CG-OH 3.46Å; G962-Y972 WeakPolarHBondContact CA-O 3.45Å; G962-Y972 VanDerWaalsContact O-CD2 3.3Å; G962-Y972 WeakPolarHBondContact O-CD2 3.21Å; E963-Y972 HydrophobicContact CG-CE2 4.19Å; Y970-Y972 PolarHBondContact O-N 2.85Å; Y972-G974 VanDerWaalsContact C-N 3.27Å; Y972-G974 PolarHBondContact O-N 2.73Å
973Y94.8Very high95.3Very high144 Ų14459.3 Ų59.357%0.56532%0.317SS*.THydrogen-bonded Turntrans-83.93.1-178.9-61.7-70000113.9N971 T975 F992N971-Y973 PolarHBondContact O-N 2.97Å; N971-Y973 PolarHBondContact OD1-N 2.93Å; Y973-T975 PolarHBondContact O-N 3.26Å; Y973-F992 VanDerWaalsContact O-CE2 3.29Å; Y973-F992 WeakPolarHBondContact O-CE2 3.38Å
974G93Very high95.1Very high1 Ų155.9 Ų55.91%0.0132%0.315CS..SBendtrans76.85.2-177.700000115K935 N971 Y972 I993K935-G974 PolarHBondContact NZ-O 3.41Å; N971-G974 PolarHBondContact O-N 3.4Å; Y972-G974 VanDerWaalsContact C-N 3.27Å; Y972-G974 PolarHBondContact O-N 2.73Å; G974-I993 PolarHBondContact O-N 2.86Å; G974-I993 VanDerWaalsContact O-O 3.08Å
975T95.7Very high95.2Very high29 Ų2960.8 Ų60.818%0.17834%0.337CS..EExtended strand (participates in β ladder)trans-80.1155173.960.20000111.9N971 Y973 I991 F992N971-T975 WeakPolarHBondContact CB-O 3.36Å; N971-T975 PolarHBondContact ND2-OG1 3.26Å; Y973-T975 PolarHBondContact O-N 3.26Å; T975-I991 CarbonylContact C-O 3.58Å; T975-I991 VanDerWaalsContact CA-O 3.29Å; T975-I991 WeakPolarHBondContact CA-O 3.39Å; T975-F992 HydrophobicContact CG2-CB 4.34Å; T975-F992 HydrophobicContact CG2-CD2 4.27Å
976E95.7Very high95.2Very high19 Ų1965.8 Ų65.89%0.08936%0.36CS..EExtended strand (participates in β ladder)trans-137.8153.7173.3-71.1-176.6-132.800110.7T904 K935 Y970 L978 D990 I991 I993T904-E976 WeakPolarHBondContact CG2-OE2 3.3Å; K935-E976 WeakPolarHBondContact CE-OE1 3.46Å; K935-E976 IonicContact NZ-OE1 3.91Å; K935-E976 PolarHBondContact NZ-OE1 3.09Å; Y970-E976 HydrophobicContact CD1-CG 3.93Å; Y970-E976 VanDerWaalsContact CE1-CD 3.43Å; Y970-E976 HydrophobicContact CE1-CG 4.19Å; Y970-E976 WeakPolarHBondContact CE1-OE1 3.36Å; E976-L978 HydrophobicContact CB-CD1 3.82Å; E976-L978 WeakPolarHBondContact O-CD1 3.5Å; E976-L978 PolarHBondContact O-N 2.71Å; E976-D990 CarbonylContact O-C 3.43Å; E976-D990 WeakPolarHBondContact O-CA 3.43Å; E976-I991 PolarHBondContact N-O 3.05Å; E976-I991 PolarHBondContact O-N 3.06Å; E976-I993 HydrophobicContact CB-CG2 3.69Å; E976-I993 VanDerWaalsContact CD-CG2 3.47Å; E976-I993 HydrophobicContact CG-CG2 3.6Å; E976-I993 WeakPolarHBondContact OE1-CG2 3.31Å
977R95.7Very high95.2Very high144 Ų14460.4 Ų60.454%0.54334%0.343SS..  trans-71123.7168.1-70176.6-173.1175.90.3109.5E905 D990E905-R977 PolarHBondContact N-O 3.12Å; R977-D990 WeakPolarHBondContact CG-OD1 3.04Å
978L96.5Very high95.2Very high2 Ų266.4 Ų66.41%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-118.9149.6177-89.368.1000109.7P902 F903 T904 E976 L987 I991 I993P902-L978 HydrophobicContact CB-CD2 4.15Å; P902-L978 HydrophobicContact CG-CD2 4.4Å; F903-L978 CarbonylContact O-C 3.58Å; F903-L978 VanDerWaalsContact O-CA 3.29Å; F903-L978 WeakPolarHBondContact O-CA 3.09Å; T904-L978 HydrophobicContact CG2-CD1 3.85Å; T904-L978 HydrophobicContact CG2-CG 4.23Å; E976-L978 HydrophobicContact CB-CD1 3.82Å; E976-L978 WeakPolarHBondContact O-CD1 3.5Å; E976-L978 PolarHBondContact O-N 2.71Å; L978-L987 HydrophobicContact CB-CD1 3.77Å; L978-L987 WeakPolarHBondContact O-CB 3.11Å; L978-L987 WeakPolarHBondContact O-CG 3.35Å; L978-L987 PolarHBondContact O-N 3.34Å; L978-I991 HydrophobicContact CB-CG1 4.13Å; L978-I991 HydrophobicContact CD1-CB 4.06Å; L978-I991 HydrophobicContact CD2-CB 3.98Å; L978-I991 HydrophobicContact CD2-CG1 4.2Å; L978-I991 HydrophobicContact CD2-CG2 4.09Å; L978-I991 HydrophobicContact CG-CB 4.42Å; L978-I993 HydrophobicContact CD1-CG2 4.48Å
979Y97.1Very high95.3Very high51 Ų5168.1 Ų68.120%0.237%0.368CS..EExtended strand (participates in β ladder)trans-110.5145.5175.2-60.1-93.5000109.3P902 F903 E905 G981 Q985 E986P902-Y979 CarbonylContact C-O 3.59Å; P902-Y979 WeakPolarHBondContact CA-O 3.34Å; P902-Y979 WeakPolarHBondContact CB-O 3.14Å; F903-Y979 HydrophobicContact CD2-CD2 4.11Å; F903-Y979 HydrophobicContact CD2-CG 4.45Å; F903-Y979 AromaticContact CE2-CD2 3.76Å; F903-Y979 HydrophobicContact CE2-CD2 3.76Å; F903-Y979 AromaticContact CE2-CG 3.82Å; F903-Y979 HydrophobicContact CE2-CG 3.82Å; F903-Y979 HydrophobicContact CZ-CD2 4.39Å; F903-Y979 AromaticContact CZ-CG 3.98Å; F903-Y979 HydrophobicContact CZ-CG 3.98Å; F903-Y979 PolarHBondContact N-O 3.36Å; F903-Y979 PolarHBondContact O-N 2.84Å; E905-Y979 WeakPolarHBondContact OE2-CE2 3.36Å; E905-Y979 VanDerWaalsContact OE2-CZ 3.24Å; E905-Y979 PolarHBondContact OE2-OH 3.12Å; Y979-G981 PolarHBondContact O-N 3.04Å; Y979-Q985 CarbonylContact C-O 3.29Å; Y979-Q985 WeakPolarHBondContact CA-O 3.32Å; Y979-E986 HydrophobicContact CD1-CB 3.97Å; Y979-E986 HydrophobicContact CE1-CB 3.84Å; Y979-E986 HydrophobicContact CE1-CG 4.18Å
980S96.6Very high95.4Very high11 Ų1167.7 Ų67.78%0.07735%0.349CS..  trans-72.2124.2174.9177.80000110.3Y748 L982 S983 G984 Q985Y748-S980 PolarHBondContact OH-OG 2.67Å; S980-L982 PolarHBondContact O-N 3.26Å; S980-L982 PolarHBondContact OG-N 2.8Å; S980-S983 VanDerWaalsContact CB-OG 3.22Å; S980-S983 WeakPolarHBondContact CB-OG 3.42Å; S980-S983 PolarHBondContact OG-N 3.45Å; S980-S983 PolarHBondContact OG-OG 3.44Å; S980-G984 VanDerWaalsContact O-CA 3.23Å; S980-G984 WeakPolarHBondContact O-CA 3.47Å; S980-G984 PolarHBondContact O-N 2.84Å; S980-Q985 PolarHBondContact N-O 2.95Å
981G94.7Very high95.6Very high20 Ų2066.1 Ų66.121%0.20634%0.343CS..THydrogen-bonded Turntrans-63.2-29.4173.400000113.1Y748 E899 M901 Y979Y748-G981 PolarHBondContact OH-N 3.46Å; E899-G981 WeakPolarHBondContact O-CA 3.29Å; M901-G981 WeakPolarHBondContact O-CA 3.3Å; Y979-G981 PolarHBondContact O-N 3.04Å
982L94.1Very high95.6Very high113 Ų11364.9 Ų64.959%0.59234%0.335SS*.THydrogen-bonded Turntrans-75.9-43.1-179.8-67.2170.8000114Y748 D900 S980Y748-L982 HydrophobicContact CE1-CD1 4.38Å; Y748-L982 WeakPolarHBondContact OH-CG 3.39Å; Y748-L982 PolarHBondContact OH-N 2.54Å; D900-L982 HydrophobicContact CB-CD2 4.01Å; S980-L982 PolarHBondContact O-N 3.26Å; S980-L982 PolarHBondContact OG-N 2.8Å
983S95Very high95.6Very high68 Ų6863.2 Ų63.248%0.47633%0.329SS..THydrogen-bonded Turntrans-104.9-15.8-174.959.70000113.7S980 Q985S980-S983 VanDerWaalsContact CB-OG 3.22Å; S980-S983 WeakPolarHBondContact CB-OG 3.42Å; S980-S983 PolarHBondContact OG-N 3.45Å; S980-S983 PolarHBondContact OG-OG 3.44Å; S983-Q985 PolarHBondContact O-N 2.95Å; S983-Q985 PolarHBondContact OG-N 3.38Å
984G93.7Very high95.7Very high49 Ų4956.5 Ų56.551%0.50530%0.304SS..  trans69.72.4-172.200000114.4S980S980-G984 VanDerWaalsContact O-CA 3.23Å; S980-G984 WeakPolarHBondContact O-CA 3.47Å; S980-G984 PolarHBondContact O-N 2.84Å
985Q96.3Very high95.9Very high137 Ų13757.5 Ų57.564%0.6431%0.309SS*.PPolyproline II helixtrans-88.6151.8-179.1-66178.6-12.800111.4Y979 S980 S983Y979-Q985 CarbonylContact C-O 3.29Å; Y979-Q985 WeakPolarHBondContact CA-O 3.32Å; S980-Q985 PolarHBondContact N-O 2.95Å; S983-Q985 PolarHBondContact O-N 2.95Å; S983-Q985 PolarHBondContact OG-N 3.38Å
986E96.6Very high96Very high104 Ų10456.1 Ų56.149%0.48630%0.301SS..BIsolated β-bridgetrans-61139.9170.3-168178.5178.500110.1Y979Y979-E986 HydrophobicContact CD1-CB 3.97Å; Y979-E986 HydrophobicContact CE1-CB 3.84Å; Y979-E986 HydrophobicContact CE1-CG 4.18Å
987L95.8Very high96.1Very high38 Ų3855.3 Ų55.320%0.19930%0.297CS..PPolyproline II helixtrans-74.8152.4174.3-63.2176.6000110.7I746 L978 A989 I991I746-L987 HydrophobicContact CD1-CD1 3.64Å; L978-L987 HydrophobicContact CB-CD1 3.77Å; L978-L987 WeakPolarHBondContact O-CB 3.11Å; L978-L987 WeakPolarHBondContact O-CG 3.35Å; L978-L987 PolarHBondContact O-N 3.34Å; L987-A989 PolarHBondContact O-N 3.44Å; L987-A989 VanDerWaalsContact O-N 3.14Å; L987-I991 HydrophobicContact CD1-CD1 4.29Å; L987-I991 HydrophobicContact CD1-CG1 3.9Å
988E95.1Very high96.1Very high209 Ų20948.6 Ų48.698%0.97727%0.272SS*.SBendtrans-62.2-24.9-174-63.6-178.517300114.6
989A95.5Very high96.1Very high64 Ų6448.7 Ų48.753%0.52927%0.272SS..SBendtrans-139150.6-178.800000111.3L987 I991L987-A989 PolarHBondContact O-N 3.44Å; L987-A989 VanDerWaalsContact O-N 3.14Å; A989-I991 WeakPolarHBondContact O-CD1 3.12Å; A989-I991 PolarHBondContact O-N 3.07Å
990D96.1Very high96.1Very high64 Ų6446.5 Ų46.534%0.34226%0.263SS..  trans-61.3134.9171.3-64.9-6.4000110E976 R977E976-D990 CarbonylContact O-C 3.43Å; E976-D990 WeakPolarHBondContact O-CA 3.43Å; R977-D990 WeakPolarHBondContact CG-OD1 3.04Å
991I97.2Very high96Very high22 Ų2246 Ų4611%0.11326%0.26CS..EExtended strand (participates in β ladder)trans-100.8136.7-174.6-55.8-60.5000109.6A744 I746 T975 E976 L978 L987 A989 I993A744-I991 HydrophobicContact CB-CG2 4.44Å; I746-I991 HydrophobicContact CB-CG2 3.85Å; I746-I991 HydrophobicContact CD1-CD1 3.76Å; I746-I991 HydrophobicContact CD1-CG1 3.93Å; I746-I991 HydrophobicContact CD1-CG2 4.31Å; I746-I991 HydrophobicContact CG1-CD1 4Å; I746-I991 HydrophobicContact CG1-CG2 4.39Å; T975-I991 CarbonylContact C-O 3.58Å; T975-I991 VanDerWaalsContact CA-O 3.29Å; T975-I991 WeakPolarHBondContact CA-O 3.39Å; E976-I991 PolarHBondContact N-O 3.05Å; E976-I991 PolarHBondContact O-N 3.06Å; L978-I991 HydrophobicContact CB-CG1 4.13Å; L978-I991 HydrophobicContact CD1-CB 4.06Å; L978-I991 HydrophobicContact CD2-CB 3.98Å; L978-I991 HydrophobicContact CD2-CG1 4.2Å; L978-I991 HydrophobicContact CD2-CG2 4.09Å; L978-I991 HydrophobicContact CG-CB 4.42Å; L987-I991 HydrophobicContact CD1-CD1 4.29Å; L987-I991 HydrophobicContact CD1-CG1 3.9Å; A989-I991 WeakPolarHBondContact O-CD1 3.12Å; A989-I991 PolarHBondContact O-N 3.07Å; I991-I993 PolarHBondContact O-N 3.01Å
992F96.9Very high95.8Very high36 Ų3649.5 Ų49.516%0.15827%0.267CS..EExtended strand (participates in β ladder)trans-71.3115.1175.3-170.4-94.5000110.4V745 L928 S931 M932 Y973 T975V745-F992 HydrophobicContact CB-CB 4.37Å; V745-F992 HydrophobicContact CB-CD1 4.38Å; V745-F992 HydrophobicContact CG2-CD1 3.98Å; V745-F992 PolarHBondContact N-O 3.17Å; L928-F992 HydrophobicContact CB-CE1 4.28Å; L928-F992 HydrophobicContact CB-CZ 4.13Å; L928-F992 HydrophobicContact CD2-CD1 4Å; L928-F992 HydrophobicContact CD2-CE1 3.6Å; L928-F992 HydrophobicContact CD2-CZ 4.19Å; L928-F992 WeakPolarHBondContact O-CZ 3.4Å; S931-F992 WeakPolarHBondContact OG-CE1 3.48Å; M932-F992 HydrophobicContact CG-CE2 3.89Å; M932-F992 HydrophobicContact CG-CZ 3.75Å; M932-F992 HydrophobicContact SD-CE2 4.25Å; M932-F992 HydrophobicContact SD-CZ 4.45Å; Y973-F992 VanDerWaalsContact O-CE2 3.29Å; Y973-F992 WeakPolarHBondContact O-CE2 3.38Å; T975-F992 HydrophobicContact CG2-CB 4.34Å; T975-F992 HydrophobicContact CG2-CD2 4.27Å
993I96.6Very high95.5Very high3 Ų346.5 Ų46.52%0.01525%0.25CC..EExtended strand (participates in β ladder)trans-136.8135.4-176.9-169.8173.2000110.4V742 V743 A744 T904 P910 K935 G974 E976 L978 I991V742-I993 HydrophobicContact CG1-CD1 3.87Å; V742-I993 HydrophobicContact CG1-CG1 3.9Å; V743-I993 WeakPolarHBondContact O-CA 3.47Å; A744-I993 HydrophobicContact CB-CD1 4.37Å; A744-I993 HydrophobicContact CB-CG1 4.28Å; T904-I993 HydrophobicContact CG2-CD1 3.78Å; P910-I993 HydrophobicContact CB-CD1 4.36Å; K935-I993 WeakPolarHBondContact CD-O 3.49Å; K935-I993 PolarHBondContact NZ-O 2.87Å; G974-I993 PolarHBondContact O-N 2.86Å; G974-I993 VanDerWaalsContact O-O 3.08Å; E976-I993 HydrophobicContact CB-CG2 3.69Å; E976-I993 VanDerWaalsContact CD-CG2 3.47Å; E976-I993 HydrophobicContact CG-CG2 3.6Å; E976-I993 WeakPolarHBondContact OE1-CG2 3.31Å; L978-I993 HydrophobicContact CD1-CG2 4.48Å; I991-I993 PolarHBondContact O-N 3.01Å
994G96.3Very high95Very high3 Ų343.4 Ų43.43%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-167.7-165.317700000112.4V742 V743 S931V742-G994 WeakPolarHBondContact CA-O 3.48Å; V743-G994 PolarHBondContact N-O 2.96Å; V743-G994 PolarHBondContact O-N 3.04Å; V743-G994 VanDerWaalsContact O-N 3.14Å; S931-G994 WeakPolarHBondContact OG-CA 3.25Å; S931-G994 PolarHBondContact OG-N 3.48Å
995V97.4Very high94.6Very high21 Ų2143.5 Ų43.513%0.12722%0.218CC..EExtended strand (participates in β ladder)trans-112.6121-172.5-1760000109.6L721 N740 A741 S931 A938L721-V995 HydrophobicContact CD1-CG1 4.14Å; N740-V995 HydrophobicContact CB-CG1 3.8Å; A741-V995 WeakPolarHBondContact O-CA 3.19Å; S931-V995 PolarHBondContact O-N 3.23Å; A938-V995 HydrophobicContact CB-CG2 4.44Å
996V97.6Very high93.9Very high1 Ų137.4 Ų37.41%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-126.6139.9-178.9-178.70000109.7A741 V743 M927 Y998A741-V996 PolarHBondContact N-O 3.4Å; A741-V996 PolarHBondContact O-N 3.2Å; V743-V996 HydrophobicContact CB-CG2 4.37Å; V743-V996 HydrophobicContact CG2-CB 3.88Å; V743-V996 HydrophobicContact CG2-CG2 4.17Å; M927-V996 HydrophobicContact CE-CG1 4.4Å; M927-V996 HydrophobicContact CG-CG1 4.28Å; V996-Y998 HydrophobicContact CB-CD2 4.22Å; V996-Y998 HydrophobicContact CB-CE2 4.08Å; V996-Y998 HydrophobicContact CG1-CD2 3.98Å; V996-Y998 HydrophobicContact CG1-CE2 3.8Å; V996-Y998 PolarHBondContact O-N 2.85Å
997Y97.3Very high93.1Very high2 Ų234.8 Ų34.81%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-81.4117.1177.9-171.9-95000111.7Q718 A720 S737 G738 N740 R885 E930 Q999Q718-Y997 WeakPolarHBondContact O-CE2 3.44Å; Q718-Y997 PolarHBondContact O-OH 2.78Å; A720-Y997 HydrophobicContact CB-CD1 4.38Å; A720-Y997 HydrophobicContact CB-CD2 3.57Å; A720-Y997 HydrophobicContact CB-CE2 3.87Å; A720-Y997 HydrophobicContact CB-CG 3.81Å; S737-Y997 PolarHBondContact N-OH 3.23Å; G738-Y997 VanDerWaalsContact CA-CZ 3.49Å; G738-Y997 WeakPolarHBondContact CA-OH 3.23Å; G738-Y997 PolarHBondContact N-OH 2.78Å; N740-Y997 WeakPolarHBondContact OD1-CD2 3.39Å; R885-Y997 HydrophobicContact CG-CD1 4.04Å; E930-Y997 WeakPolarHBondContact OE1-CB 3.44Å; E930-Y997 PolarHBondContact OE1-N 3.3Å; Y997-Q999 HydrophobicContact CD1-CG 4.45Å; Y997-Q999 HydrophobicContact CE1-CG 4.22Å
998Y96.6Very high92.4Very high2 Ų238.9 Ų38.91%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-107.2146.2-176.2-97.8-110.1000113G738 T739 V743 M757 F882 I912 M927 V996G738-Y998 CarbonylContact C-O 3.52Å; G738-Y998 WeakPolarHBondContact CA-O 3.37Å; T739-Y998 PolarHBondContact N-O 3.13Å; T739-Y998 PolarHBondContact O-N 3.42Å; V743-Y998 HydrophobicContact CG2-CD2 4.21Å; V743-Y998 HydrophobicContact CG2-CE2 3.73Å; M757-Y998 HydrophobicContact CE-CE1 3.78Å; M757-Y998 HydrophobicContact SD-CE1 3.94Å; F882-Y998 HydrophobicContact CB-CD1 4.27Å; I912-Y998 HydrophobicContact CD1-CD1 3.49Å; I912-Y998 VanDerWaalsContact CD1-CD1 3.49Å; I912-Y998 HydrophobicContact CD1-CD2 4.11Å; I912-Y998 HydrophobicContact CD1-CE1 3.67Å; I912-Y998 HydrophobicContact CD1-CE2 4.29Å; I912-Y998 HydrophobicContact CD1-CG 3.71Å; M927-Y998 HydrophobicContact CE-CE2 4.18Å; M927-Y998 WeakPolarHBondContact CE-OH 3.21Å; V996-Y998 HydrophobicContact CB-CD2 4.22Å; V996-Y998 HydrophobicContact CB-CE2 4.08Å; V996-Y998 HydrophobicContact CG1-CD2 3.98Å; V996-Y998 HydrophobicContact CG1-CE2 3.8Å; V996-Y998 PolarHBondContact O-N 2.85Å
999Q96.4Very high91.7Very high5 Ų534.8 Ų34.82%0.02318%0.176CC..EExtended strand (participates in β ladder)trans-119.8128.3-178.1-67.6-178.7-28.900110T695 S737 F882 A883 Y997T695-Q999 HydrophobicContact CG2-CB 4.42Å; T695-Q999 HydrophobicContact CG2-CG 4.44Å; T695-Q999 WeakPolarHBondContact OG1-CB 3.18Å; S737-Q999 PolarHBondContact OG-NE2 3.12Å; S737-Q999 VanDerWaalsContact OG-NE2 3.13Å; F882-Q999 CarbonylContact C-O 3.56Å; F882-Q999 WeakPolarHBondContact CA-O 3.42Å; A883-Q999 PolarHBondContact N-O 3.31Å; A883-Q999 WeakPolarHBondContact O-CB 2.87Å; A883-Q999 PolarHBondContact O-N 3.42Å; Y997-Q999 HydrophobicContact CD1-CG 4.45Å; Y997-Q999 HydrophobicContact CE1-CG 4.22Å
1000R95.6Very high91.2Very high4 Ų436 Ų362%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-86.4129173.5-175176177-158.3-4.2109.8T695 M696 A769 R874 N875 D880 F882T695-R1000 CarbonylContact C-O 3.57Å; T695-R1000 WeakPolarHBondContact CA-O 3.4Å; T695-R1000 WeakPolarHBondContact CB-O 3.31Å; T695-R1000 PolarHBondContact OG1-O 2.92Å; M696-R1000 PolarHBondContact N-O 3.43Å; A769-R1000 HydrophobicContact CB-CB 4.45Å; A769-R1000 WeakPolarHBondContact O-CD 3.24Å; A769-R1000 PolarHBondContact O-NH1 3.36Å; R874-R1000 PolarHBondContact O-NH1 2.9Å; R874-R1000 PolarHBondContact O-NH2 2.94Å; R874-R1000 VanDerWaalsContact O-NH2 3.08Å; N875-R1000 VanDerWaalsContact C-NH2 3.33Å; N875-R1000 PolarHBondContact O-NH2 3.13Å; N875-R1000 VanDerWaalsContact O-NH2 3.12Å; D880-R1000 IonicContact OD2-CZ 2.85Å; D880-R1000 IonicContact OD2-NE 3.54Å; D880-R1000 IonicContact OD2-NH2 2.76Å; D880-R1000 PolarHBondContact OD2-NH2 2.96Å; F882-R1000 HydrophobicContact CD1-CB 4.08Å; F882-R1000 HydrophobicContact CD1-CG 4.33Å; F882-R1000 HydrophobicContact CE1-CB 3.85Å; F882-R1000 HydrophobicContact CE1-CG 3.89Å; F882-R1000 HydrophobicContact CZ-CG 4.06Å
1001L95Very high90.7Very high0 Ų038.6 Ų38.60%019%0.188CC..BIsolated β-bridgetrans-88.6151.9-178.3-55.9-176.3000111.9M691 K881 A883 K889 H1003M691-L1001 HydrophobicContact CB-CD2 4.17Å; M691-L1001 HydrophobicContact SD-CD1 3.7Å; M691-L1001 HydrophobicContact SD-CD2 4.48Å; K881-L1001 HydrophobicContact CB-CB 4.12Å; K881-L1001 HydrophobicContact CB-CD1 4Å; K881-L1001 HydrophobicContact CB-CG 4.4Å; K881-L1001 WeakPolarHBondContact O-CB 3.39Å; K881-L1001 PolarHBondContact O-N 3.28Å; A883-L1001 HydrophobicContact CB-CD1 4.42Å; A883-L1001 HydrophobicContact CB-CD2 4.4Å; K889-L1001 HydrophobicContact CD-CD1 4.42Å; K889-L1001 HydrophobicContact CG-CD1 4.25Å; L1001-H1003 PolarHBondContact O-N 3.32Å; L1001-H1003 VanDerWaalsContact O-N 3.1Å
1002R91.7Very high90.1Very high94 Ų9440.4 Ų40.436%0.35519%0.194SC..SBendtrans-62.8-15.1176.674.3-175.8-168.71350.1115.1L460 Q694 Y712 M1004L460-R1002 HydrophobicContact CD1-CB 4.09Å; L460-R1002 HydrophobicContact CD1-CG 4.24Å; Q694-R1002 WeakPolarHBondContact O-CB 3.45Å; Q694-R1002 PolarHBondContact O-N 3.4Å; Y712-R1002 HydrophobicContact CE1-CB 4.25Å; R1002-M1004 WeakPolarHBondContact O-CE 3.48Å; R1002-M1004 PolarHBondContact O-N 3.36Å
1003H86.7Confident89.7Confident51 Ų5145 Ų4524%0.23623%0.225CC..  trans-79.784-172.2-63.4128.1000110.5Q694 K881 L1001Q694-H1003 PolarHBondContact OE1-CE1 3.35Å; K881-H1003 HydrophobicContact CD-CB 4.05Å; L1001-H1003 PolarHBondContact O-N 3.32Å; L1001-H1003 VanDerWaalsContact O-N 3.1Å
1004M84.9Confident89.1Confident3 Ų350.2 Ų50.22%0.01526%0.257CS..  trans-88.5151-178.8-66.9167.4-116.100112.4M696 Y712 I773 R874 D880 R1002 D1007M696-M1004 HydrophobicContact CE-CE 3.51Å; M696-M1004 HydrophobicContact CE-SD 4.49Å; Y712-M1004 HydrophobicContact CD1-CE 3.76Å; Y712-M1004 HydrophobicContact CE1-CE 3.62Å; I773-M1004 HydrophobicContact CD1-CE 3.72Å; I773-M1004 HydrophobicContact CD1-SD 4.13Å; I773-M1004 HydrophobicContact CG1-CE 4.31Å; R874-M1004 HydrophobicContact CB-SD 4.1Å; R874-M1004 HydrophobicContact CG-SD 4.08Å; D880-M1004 WeakPolarHBondContact OD1-CA 3.48Å; R1002-M1004 WeakPolarHBondContact O-CE 3.48Å; R1002-M1004 PolarHBondContact O-N 3.36Å; M1004-D1007 PolarHBondContact O-N 3.42Å
1005V85.7Confident88.6Confident50 Ų5051.6 Ų51.630%0.30327%0.272SS..G310 helixtrans-70.4-33.91781780000112.5I878 G879 D880 D1007 K1008 F1009I878-V1005 WeakPolarHBondContact O-CG2 3.09Å; G879-V1005 WeakPolarHBondContact O-CG2 3.27Å; D880-V1005 PolarHBondContact OD1-N 3.25Å; D880-V1005 VanDerWaalsContact OD1-N 3.09Å; V1005-D1007 PolarHBondContact O-N 2.84Å; V1005-K1008 PolarHBondContact O-N 3.11Å; V1005-F1009 PolarHBondContact O-N 3.26Å
1006S81.7Confident88Confident10 Ų1053 Ų537%0.0729%0.285CS..G310 helixtrans-54.8-25.2175.558.10000112.9R874 K1008 R1028R874-S1006 PolarHBondContact NH1-OG 2.82Å; R874-S1006 PolarHBondContact NH2-OG 3.09Å; S1006-K1008 VanDerWaalsContact C-N 3.34Å; S1006-R1028 PolarHBondContact O-NH1 3.35Å
1007D78.6Confident87.7Confident48 Ų4858.1 Ų58.126%0.25730%0.304SS..G310 helixtrans-87.1-3.7-179.5-69.57.8000112.5K710 R874 M1004 V1005 R1028K710-D1007 IonicContact NZ-OD2 3.58Å; R874-D1007 IonicContact CZ-OD1 3.87Å; R874-D1007 IonicContact NH2-OD1 3.25Å; R874-D1007 PolarHBondContact NH2-OD1 3.27Å; M1004-D1007 PolarHBondContact O-N 3.42Å; V1005-D1007 PolarHBondContact O-N 2.84Å; D1007-R1028 VanDerWaalsContact O-CZ 3.28Å; D1007-R1028 PolarHBondContact O-NH1 2.87Å
1008K81.4Confident87.4Confident125 Ų12561 Ų6154%0.54332%0.32SS..THydrogen-bonded Turntrans-119.2-35.8-172.1-65.2-172.7176.4-171.80115.8V1005 S1006V1005-K1008 PolarHBondContact O-N 3.11Å; S1006-K1008 VanDerWaalsContact C-N 3.34Å
1009F80.9Confident87.2Confident122 Ų12270.3 Ų70.354%0.53536%0.361SS..  trans-66.3142.5-176.482.1-82.4000110.8V1005 R1028V1005-F1009 PolarHBondContact O-N 3.26Å; F1009-R1028 VanDerWaalsContact O-CD 3.31Å; F1009-R1028 WeakPolarHBondContact O-CD 3.43Å
1010Q83.8Confident86.9Confident90 Ų9073.2 Ų73.242%0.42138%0.379SS..  trans-147140.8174.764.9-177.9-4.100109.4R1028Q1010-R1028 HydrophobicContact CB-CG 4.03Å
1011V85.7Confident86.8Confident118 Ų11874.6 Ų74.672%0.71539%0.387SS*.  trans-139.6139.6177.3630000109
1012R84.9Confident86.7Confident60 Ų6076.7 Ų76.723%0.22640%0.399CS..  trans-141.5126.6177.6179.5-171.9174.2127.6-3.1109.7G1015 A1016 P1024 Q1031 G1033R1012-G1015 PolarHBondContact NH2-O 3.48Å; R1012-A1016 PolarHBondContact NH1-O 2.87Å; R1012-A1016 PolarHBondContact NH2-O 3.42Å; R1012-P1024 VanDerWaalsContact CZ-CB 3.41Å; R1012-Q1031 WeakPolarHBondContact CD-O 3.44Å; R1012-Q1031 PolarHBondContact NH1-O 3.14Å; R1012-Q1031 VanDerWaalsContact NH1-O 3.13Å; R1012-G1033 VanDerWaalsContact CD-CA 3.47Å
1013T88.1Confident86.8Confident134 Ų13475.5 Ų75.582%0.82240%0.397SS*.SBendtrans-97.5-61167.250.50000109.3
1014T84.4Confident87.1Confident111 Ų11175.1 Ų75.168%0.68140%0.399SS*.SBendtrans-132.3174170.261.80000109
1015G85.2Confident87.4Confident33 Ų3377 Ų7734%0.3441%0.411SS..  trans169.1-173178.400000113.2R1012 R1017R1012-G1015 PolarHBondContact NH2-O 3.48Å; G1015-R1017 PolarHBondContact O-N 3.37Å
1016A86.6Confident87.4Confident50 Ų5077.5 Ų77.541%0.41343%0.426SS..  trans-53.6140.9177.800000111.2R1012 V1025R1012-A1016 PolarHBondContact NH1-O 2.87Å; R1012-A1016 PolarHBondContact NH2-O 3.42Å; A1016-V1025 HydrophobicContact CB-CG2 4.12Å; A1016-V1025 PolarHBondContact O-N 2.92Å
1017R89.8Confident87.4Confident108 Ų10878.9 Ų78.941%0.40844%0.442SS..BIsolated β-bridgetrans-117145174.4-69.6178.7172.8-156.3-2.2108.8G1015 N1022 Q1023 V1025 S1061G1015-R1017 PolarHBondContact O-N 3.37Å; R1017-N1022 VanDerWaalsContact CD-O 3.31Å; R1017-N1022 WeakPolarHBondContact CD-O 3.44Å; R1017-N1022 VanDerWaalsContact CD-OD1 3.22Å; R1017-N1022 WeakPolarHBondContact CD-OD1 3.46Å; R1017-N1022 PolarHBondContact NH1-ND2 2.95Å; R1017-Q1023 CarbonylContact C-O 3.52Å; R1017-Q1023 VanDerWaalsContact CA-O 3.24Å; R1017-Q1023 WeakPolarHBondContact CA-O 3.46Å; R1017-V1025 VanDerWaalsContact C-CG2 3.47Å; R1017-S1061 PolarHBondContact NH2-O 2.96Å
1018D91.9Very high87.3Confident62 Ų6280.5 Ų80.533%0.33244%0.444SS..  trans-64.6139.6173.7174.260.4000109.7V1020 T1021 N1022 Q1023 V1025D1018-V1020 VanDerWaalsContact C-N 3.3Å; D1018-V1020 PolarHBondContact O-N 3.09Å; D1018-V1020 WeakPolarHBondContact OD2-CB 3.48Å; D1018-V1020 PolarHBondContact OD2-N 3.2Å; D1018-V1020 VanDerWaalsContact OD2-N 3.11Å; D1018-T1021 WeakPolarHBondContact CB-OG1 3.42Å; D1018-T1021 PolarHBondContact OD2-N 2.93Å; D1018-T1021 PolarHBondContact OD2-OG1 3.42Å; D1018-N1022 WeakPolarHBondContact O-CA 3.44Å; D1018-N1022 PolarHBondContact O-N 3.41Å; D1018-Q1023 PolarHBondContact N-O 3.27Å; D1018-V1025 HydrophobicContact CB-CG2 4.37Å
1019K91.2Very high86.8Confident198 Ų19881.6 Ų81.686%0.86146%0.456SS*.THydrogen-bonded Turntrans-71.3-28.5-173.4-67.4-176.1-179.4-179.60112.7
1020V91.9Very high86.5Confident67 Ų6780.7 Ų80.741%0.40646%0.456SS..THydrogen-bonded Turntrans-86-46.7-175.2-179.90000110.5D1018 Y1113 Y1117D1018-V1020 VanDerWaalsContact C-N 3.3Å; D1018-V1020 PolarHBondContact O-N 3.09Å; D1018-V1020 WeakPolarHBondContact OD2-CB 3.48Å; D1018-V1020 PolarHBondContact OD2-N 3.2Å; D1018-V1020 VanDerWaalsContact OD2-N 3.11Å; V1020-Y1113 VanDerWaalsContact O-CE1 3.27Å; V1020-Y1113 WeakPolarHBondContact O-CE1 3.43Å; V1020-Y1117 HydrophobicContact CG1-CD1 3.89Å; V1020-Y1117 HydrophobicContact CG1-CD2 3.93Å; V1020-Y1117 HydrophobicContact CG1-CE1 3.6Å; V1020-Y1117 HydrophobicContact CG1-CE2 3.68Å; V1020-Y1117 HydrophobicContact CG1-CG 4.05Å
1021T92.9Very high86.3Confident32 Ų3281.2 Ų81.220%0.19646%0.458CS..THydrogen-bonded Turntrans-96.6-15.9-174.857.80000113.5D1018 Q1023 Y1113 V1114D1018-T1021 WeakPolarHBondContact CB-OG1 3.42Å; D1018-T1021 PolarHBondContact OD2-N 2.93Å; D1018-T1021 PolarHBondContact OD2-OG1 3.42Å; T1021-Q1023 PolarHBondContact O-N 3.47Å; T1021-Q1023 VanDerWaalsContact O-N 3.09Å; T1021-Q1023 PolarHBondContact OG1-N 3.15Å; T1021-Y1113 WeakPolarHBondContact O-CD1 3.49Å; T1021-V1114 HydrophobicContact CG2-CG2 4.42Å
1022N92.1Very high86.2Confident44 Ų4475.8 Ų75.824%0.23543%0.426CS..  trans55.117.8-169.4-159.332000113.7R1017 D1018 Y1113R1017-N1022 VanDerWaalsContact CD-O 3.31Å; R1017-N1022 WeakPolarHBondContact CD-O 3.44Å; R1017-N1022 VanDerWaalsContact CD-OD1 3.22Å; R1017-N1022 WeakPolarHBondContact CD-OD1 3.46Å; R1017-N1022 PolarHBondContact NH1-ND2 2.95Å; D1018-N1022 WeakPolarHBondContact O-CA 3.44Å; D1018-N1022 PolarHBondContact O-N 3.41Å; N1022-Y1113 HydrophobicContact CB-CD1 3.43Å; N1022-Y1113 VanDerWaalsContact CB-CD1 3.43Å; N1022-Y1113 HydrophobicContact CB-CD2 4.03Å; N1022-Y1113 HydrophobicContact CB-CE1 3.99Å; N1022-Y1113 HydrophobicContact CB-CG 3.44Å; N1022-Y1113 VanDerWaalsContact CB-CG 3.44Å
1023Q93.6Very high86.3Confident70 Ų7073.9 Ų73.933%0.32743%0.425SS..SBendtrans-86.7157175.8-70.9-180-3.900110.9R1017 D1018 T1021 V1025 D1062R1017-Q1023 CarbonylContact C-O 3.52Å; R1017-Q1023 VanDerWaalsContact CA-O 3.24Å; R1017-Q1023 WeakPolarHBondContact CA-O 3.46Å; D1018-Q1023 PolarHBondContact N-O 3.27Å; T1021-Q1023 PolarHBondContact O-N 3.47Å; T1021-Q1023 VanDerWaalsContact O-N 3.09Å; T1021-Q1023 PolarHBondContact OG1-N 3.15Å; Q1023-V1025 PolarHBondContact O-N 3.3Å; Q1023-D1062 HydrophobicContact CG-CB 3.8Å
1024P93Very high86.4Confident42 Ų4273.7 Ų73.727%0.27342%0.417SS..BIsolated β-bridgetrans-46.7123.8167.9-33.340.2000113.7R1012R1012-P1024 VanDerWaalsContact CZ-CB 3.41Å
1025V91.4Very high86.8Confident43 Ų4379 Ų7926%0.26143%0.425SS..PPolyproline II helixtrans-64.7146.6175.3-1700000110A1016 R1017 D1018 Q1023 G1032 G1033A1016-V1025 HydrophobicContact CB-CG2 4.12Å; A1016-V1025 PolarHBondContact O-N 2.92Å; R1017-V1025 VanDerWaalsContact C-CG2 3.47Å; D1018-V1025 HydrophobicContact CB-CG2 4.37Å; Q1023-V1025 PolarHBondContact O-N 3.3Å; V1025-G1032 CarbonylContact O-C 3.6Å; V1025-G1032 WeakPolarHBondContact O-CA 3.23Å; V1025-G1033 PolarHBondContact O-N 2.76Å
1026G86.8Confident87.2Confident60 Ų6080.6 Ų80.662%0.61942%0.422SS*.PPolyproline II helixtrans-78.8143.8172.300000112.6
1027G81.6Confident87.5Confident39 Ų3979 Ų7940%0.40241%0.411SS..  trans120.7126.7168.300000114.6N1029 I1030 G1032G1027-N1029 PolarHBondContact O-N 2.83Å; G1027-I1030 PolarHBondContact O-N 2.94Å; G1027-G1032 VanDerWaalsContact O-CA 3.3Å; G1027-G1032 WeakPolarHBondContact O-CA 3.39Å; G1027-G1032 PolarHBondContact O-N 2.84Å
1028R76.4Confident87.9Confident83 Ų8380.6 Ų80.631%0.31342%0.423SS..G310 helixtrans-59.2-42.9-174.9-174178.573.4144.93114.3S1006 D1007 F1009 Q1010 I1030 Q1031S1006-R1028 PolarHBondContact O-NH1 3.35Å; D1007-R1028 VanDerWaalsContact O-CZ 3.28Å; D1007-R1028 PolarHBondContact O-NH1 2.87Å; F1009-R1028 VanDerWaalsContact O-CD 3.31Å; F1009-R1028 WeakPolarHBondContact O-CD 3.43Å; Q1010-R1028 HydrophobicContact CB-CG 4.03Å; R1028-I1030 PolarHBondContact O-N 3.34Å; R1028-I1030 VanDerWaalsContact O-N 3.12Å; R1028-Q1031 PolarHBondContact O-N 3.05Å
1029N71.2Confident88.1Confident148 Ų14884.8 Ų84.879%0.79144%0.442SS*.G310 helixtrans-66.4-15.3-175.6-66.7-6.6000113.5G1027G1027-N1029 PolarHBondContact O-N 2.83Å
1030I75.1Confident88.4Confident103 Ų10379.2 Ų79.253%0.52842%0.419SS..G310 helixtrans-112.717.7179.6-32.8175.3000110.1G1027 R1028 G1032G1027-I1030 PolarHBondContact O-N 2.94Å; R1028-I1030 PolarHBondContact O-N 3.34Å; R1028-I1030 VanDerWaalsContact O-N 3.12Å; I1030-G1032 VanDerWaalsContact C-N 3.25Å; I1030-G1032 PolarHBondContact O-N 3.43Å
1031Q78Confident88.6Confident101 Ų10180.3 Ų80.347%0.47242%0.416SS..THydrogen-bonded Turntrans54.144.9-174.9-60.1174-19.600111.7R1012 R1028R1012-Q1031 WeakPolarHBondContact CD-O 3.44Å; R1012-Q1031 PolarHBondContact NH1-O 3.14Å; R1012-Q1031 VanDerWaalsContact NH1-O 3.13Å; R1028-Q1031 PolarHBondContact O-N 3.05Å
1032G84.3Confident88.7Confident4 Ų482.4 Ų82.44%0.04143%0.426CS..PPolyproline II helixtrans-64156.8-179.200000113.5V1025 G1027 I1030V1025-G1032 CarbonylContact O-C 3.6Å; V1025-G1032 WeakPolarHBondContact O-CA 3.23Å; G1027-G1032 VanDerWaalsContact O-CA 3.3Å; G1027-G1032 WeakPolarHBondContact O-CA 3.39Å; G1027-G1032 PolarHBondContact O-N 2.84Å; I1030-G1032 VanDerWaalsContact C-N 3.25Å; I1030-G1032 PolarHBondContact O-N 3.43Å
1033G86.5Confident89Confident19 Ų1982.7 Ų82.720%0.19644%0.435CS..PPolyproline II helixtrans-75155.3179.200000112.9R1012 V1025R1012-G1033 VanDerWaalsContact CD-CA 3.47Å; V1025-G1033 PolarHBondContact O-N 2.76Å
1034I91.3Very high89.1Confident130 Ų13080.8 Ų80.867%0.66743%0.427SS*.PPolyproline II helixtrans-78.7130.6166.9-59.3178.5000107.6F1036I1034-F1036 PolarHBondContact O-N 2.82Å
1035R91.7Very high89.2Confident223 Ų22383.4 Ų83.484%0.84244%0.438SS*.PPolyproline II helixtrans-73.7125.3177.7-177.3176-179.1169.3-0.4109.7
1036F93.3Very high89.5Confident66 Ų6685.6 Ų85.629%0.28946%0.46SS..  trans-95.4110.5166.7-163.2-85.7000107.8I1034 E1040 R1041 L1044 R1056 L1057I1034-F1036 PolarHBondContact O-N 2.82Å; F1036-E1040 HydrophobicContact CD1-CB 4.03Å; F1036-E1040 HydrophobicContact CD2-CB 4.01Å; F1036-E1040 VanDerWaalsContact CE1-C 3.49Å; F1036-E1040 HydrophobicContact CE1-CB 3.67Å; F1036-E1040 HydrophobicContact CE2-CB 3.62Å; F1036-E1040 HydrophobicContact CE2-CG 4.46Å; F1036-E1040 HydrophobicContact CG-CB 4.2Å; F1036-E1040 HydrophobicContact CZ-CB 3.43Å; F1036-E1040 VanDerWaalsContact CZ-CB 3.43Å; F1036-E1040 WeakPolarHBondContact CZ-O 3.22Å; F1036-R1041 HydrophobicContact CE1-CB 4.22Å; F1036-R1041 VanDerWaalsContact CE1-N 3.33Å; F1036-L1044 HydrophobicContact CE1-CD1 4.3Å; F1036-L1044 HydrophobicContact CE2-CD1 4.15Å; F1036-L1044 HydrophobicContact CZ-CD1 3.45Å; F1036-L1044 VanDerWaalsContact CZ-CD1 3.45Å; F1036-L1044 HydrophobicContact CZ-CG 3.97Å; F1036-R1056 HydrophobicContact CD2-CB 4.25Å; F1036-R1056 HydrophobicContact CD2-CG 4.44Å; F1036-R1056 HydrophobicContact CE2-CB 4.3Å; F1036-R1056 HydrophobicContact CE2-CG 4.25Å; F1036-R1056 HydrophobicContact CG-CB 4.47Å; F1036-L1057 HydrophobicContact CD1-CD2 3.74Å; F1036-L1057 HydrophobicContact CD1-CG 4.25Å; F1036-L1057 HydrophobicContact CE1-CD2 4.41Å; F1036-L1057 HydrophobicContact CE1-CG 4.49Å
1037G94.7Very high89.9Confident16 Ų1690.1 Ų90.117%0.16547%0.465CS..  trans-94.1-171.8-171.400000113.7E1040 R1041G1037-E1040 WeakPolarHBondContact CA-OE2 3.49Å; G1037-E1040 PolarHBondContact N-OE2 3.35Å; G1037-R1041 PolarHBondContact O-N 2.95Å; G1037-R1041 VanDerWaalsContact O-N 3.12Å
1038E96.6Very high90.6Very high142 Ų14291 Ų9166%0.66448%0.475SS*.Hα-helixtrans-68.6-38.1178.4-65.9179.3166.600111.8E1040 R1041 D1042E1038-E1040 PolarHBondContact O-N 3.41Å; E1038-R1041 WeakPolarHBondContact O-CB 3.4Å; E1038-R1041 PolarHBondContact O-N 3.2Å; E1038-D1042 VanDerWaalsContact O-CG 3.22Å; E1038-D1042 PolarHBondContact O-N 2.94Å
1039M97Very high91.6Very high151 Ų15188.4 Ų88.474%0.74447%0.469SS*.Hα-helixtrans-62.9-42.8177.8-63.9-173.2-63.600111.5D1042 A1043M1039-D1042 PolarHBondContact O-N 3.22Å; M1039-A1043 PolarHBondContact O-N 3.23Å; M1039-A1043 VanDerWaalsContact O-N 3.07Å
1040E96.1Very high92.8Very high81 Ų8185 Ų8538%0.37946%0.457SS..Hα-helixtrans-69.7-34.3177.7-62.775.1-159.300112F1036 G1037 E1038 A1043 L1044F1036-E1040 HydrophobicContact CD1-CB 4.03Å; F1036-E1040 HydrophobicContact CD2-CB 4.01Å; F1036-E1040 VanDerWaalsContact CE1-C 3.49Å; F1036-E1040 HydrophobicContact CE1-CB 3.67Å; F1036-E1040 HydrophobicContact CE2-CB 3.62Å; F1036-E1040 HydrophobicContact CE2-CG 4.46Å; F1036-E1040 HydrophobicContact CG-CB 4.2Å; F1036-E1040 HydrophobicContact CZ-CB 3.43Å; F1036-E1040 VanDerWaalsContact CZ-CB 3.43Å; F1036-E1040 WeakPolarHBondContact CZ-O 3.22Å; G1037-E1040 WeakPolarHBondContact CA-OE2 3.49Å; G1037-E1040 PolarHBondContact N-OE2 3.35Å; E1038-E1040 PolarHBondContact O-N 3.41Å; E1040-A1043 PolarHBondContact O-N 3.48Å; E1040-L1044 PolarHBondContact O-N 2.81Å
1041R96.1Very high93.8Very high89 Ų8988.8 Ų88.834%0.33647%0.47SS..Hα-helixtrans-59.1-50.4172178.2-157.869.8-165.2-4.4110.8F1036 G1037 E1038 A1043 L1044 L1045 L1053 L1057F1036-R1041 HydrophobicContact CE1-CB 4.22Å; F1036-R1041 VanDerWaalsContact CE1-N 3.33Å; G1037-R1041 PolarHBondContact O-N 2.95Å; G1037-R1041 VanDerWaalsContact O-N 3.12Å; E1038-R1041 WeakPolarHBondContact O-CB 3.4Å; E1038-R1041 PolarHBondContact O-N 3.2Å; R1041-A1043 VanDerWaalsContact C-N 3.29Å; R1041-A1043 PolarHBondContact O-N 3.21Å; R1041-L1044 PolarHBondContact O-N 2.85Å; R1041-L1045 HydrophobicContact CG-CD1 4Å; R1041-L1045 WeakPolarHBondContact O-CG 3.34Å; R1041-L1045 PolarHBondContact O-N 3.45Å; R1041-L1053 HydrophobicContact CB-CD1 4.37Å; R1041-L1053 HydrophobicContact CG-CD1 3.84Å; R1041-L1057 HydrophobicContact CG-CD1 4.06Å
1042D96.8Very high94.6Very high77 Ų7788.5 Ų88.541%0.41247%0.471SS..Hα-helixtrans-66-35.4-176.2-65.2-13.5000111.2E1038 M1039 L1045 A1046E1038-D1042 VanDerWaalsContact O-CG 3.22Å; E1038-D1042 PolarHBondContact O-N 2.94Å; M1039-D1042 PolarHBondContact O-N 3.22Å; D1042-L1045 PolarHBondContact O-N 3.49Å; D1042-A1046 WeakPolarHBondContact O-CB 3.11Å; D1042-A1046 PolarHBondContact O-N 3.17Å
1043A97.1Very high95.2Very high50 Ų5089.6 Ų89.641%0.41348%0.476SS..Hα-helixtrans-59.8-47.6171.800000112.4M1039 E1040 R1041 L1045 A1046 H1047M1039-A1043 PolarHBondContact O-N 3.23Å; M1039-A1043 VanDerWaalsContact O-N 3.07Å; E1040-A1043 PolarHBondContact O-N 3.48Å; R1041-A1043 VanDerWaalsContact C-N 3.29Å; R1041-A1043 PolarHBondContact O-N 3.21Å; A1043-L1045 PolarHBondContact O-N 2.77Å; A1043-A1046 PolarHBondContact O-N 3.25Å; A1043-H1047 PolarHBondContact O-CD2 3.2Å; A1043-H1047 PolarHBondContact O-N 3.11Å; A1043-H1047 VanDerWaalsContact O-N 3.09Å
1044L95.9Very high95.6Very high30 Ų3093.4 Ų93.416%0.15749%0.489CS..Hα-helixtrans-68.4-34.8179.2-69.7-172.2000113.2F1036 E1040 R1041 H1047 G1048 S1049 L1052 L1053F1036-L1044 HydrophobicContact CE1-CD1 4.3Å; F1036-L1044 HydrophobicContact CE2-CD1 4.15Å; F1036-L1044 HydrophobicContact CZ-CD1 3.45Å; F1036-L1044 VanDerWaalsContact CZ-CD1 3.45Å; F1036-L1044 HydrophobicContact CZ-CG 3.97Å; E1040-L1044 PolarHBondContact O-N 2.81Å; R1041-L1044 PolarHBondContact O-N 2.85Å; L1044-H1047 PolarHBondContact O-N 3.06Å; L1044-G1048 PolarHBondContact O-N 3.32Å; L1044-S1049 WeakPolarHBondContact CD2-OG 3.33Å; L1044-S1049 PolarHBondContact O-N 3.24Å; L1044-S1049 PolarHBondContact O-OG 3.29Å; L1044-L1052 HydrophobicContact CD1-CB 4.18Å; L1044-L1053 HydrophobicContact CB-CB 4.48Å; L1044-L1053 HydrophobicContact CB-CD1 4.21Å; L1044-L1053 HydrophobicContact CD1-CB 4.44Å; L1044-L1053 HydrophobicContact CD1-CD1 4.32Å
1045L95.5Very high95.8Very high96 Ų9689.2 Ų89.250%0.50347%0.468SS..Hα-helixtrans-62.8-44.5172.7-75.9170.7000111.2R1041 D1042 A1043 H1047 G1048 L1053R1041-L1045 HydrophobicContact CG-CD1 4Å; R1041-L1045 WeakPolarHBondContact O-CG 3.34Å; R1041-L1045 PolarHBondContact O-N 3.45Å; D1042-L1045 PolarHBondContact O-N 3.49Å; A1043-L1045 PolarHBondContact O-N 2.77Å; L1045-H1047 VanDerWaalsContact C-N 3.29Å; L1045-H1047 PolarHBondContact O-N 3.02Å; L1045-G1048 PolarHBondContact O-N 2.88Å; L1045-L1053 HydrophobicContact CD2-CD2 3.45Å; L1045-L1053 VanDerWaalsContact CD2-CD2 3.45Å; L1045-L1053 HydrophobicContact CG-CD2 3.84Å
1046A97.1Very high95.9Very high89 Ų8984.7 Ų84.774%0.73645%0.45SS*.Hα-helixtrans-62.3-35.8176.800000112.4D1042 A1043 G1048D1042-A1046 WeakPolarHBondContact O-CB 3.11Å; D1042-A1046 PolarHBondContact O-N 3.17Å; A1043-A1046 PolarHBondContact O-N 3.25Å; A1046-G1048 PolarHBondContact O-N 3.43Å
1047H96.6Very high96Very high155 Ų15584.8 Ų84.872%0.71845%0.454SS*.THydrogen-bonded Turntrans-71.9-7.1172.3-77.2-64.1000114.2A1043 L1044 L1045 S1049A1043-H1047 PolarHBondContact O-CD2 3.2Å; A1043-H1047 PolarHBondContact O-N 3.11Å; A1043-H1047 VanDerWaalsContact O-N 3.09Å; L1044-H1047 PolarHBondContact O-N 3.06Å; L1045-H1047 VanDerWaalsContact C-N 3.29Å; L1045-H1047 PolarHBondContact O-N 3.02Å; H1047-S1049 PolarHBondContact O-N 2.99Å
1048G96.3Very high96Very high59 Ų5985 Ų8561%0.60845%0.45SS*.THydrogen-bonded Turntrans66.416.7-173.900000113.8L1044 L1045 A1046 S1050L1044-G1048 PolarHBondContact O-N 3.32Å; L1045-G1048 PolarHBondContact O-N 2.88Å; A1046-G1048 PolarHBondContact O-N 3.43Å; G1048-S1050 VanDerWaalsContact C-N 3.28Å; G1048-S1050 PolarHBondContact O-N 3.44Å
1049S96.8Very high95.9Very high27 Ų2781.2 Ų81.219%0.18943%0.434CS..  trans-86.660.7-171.5620000112.5L1044 H1047 F1051 L1052 L1053L1044-S1049 WeakPolarHBondContact CD2-OG 3.33Å; L1044-S1049 PolarHBondContact O-N 3.24Å; L1044-S1049 PolarHBondContact O-OG 3.29Å; H1047-S1049 PolarHBondContact O-N 2.99Å; S1049-F1051 VanDerWaalsContact C-N 3.3Å; S1049-F1051 PolarHBondContact O-N 3.43Å; S1049-L1052 PolarHBondContact O-N 3.04Å; S1049-L1052 VanDerWaalsContact O-N 3.11Å; S1049-L1053 PolarHBondContact O-N 3.36Å
1050S95.5Very high95.6Very high77 Ų7777.1 Ų77.154%0.53842%0.42SS..Hα-helixtrans-56.1-38.3-173.558.10000114G1048 L1053 Q1054G1048-S1050 VanDerWaalsContact C-N 3.28Å; G1048-S1050 PolarHBondContact O-N 3.44Å; S1050-L1053 WeakPolarHBondContact O-CB 3.11Å; S1050-L1053 PolarHBondContact O-N 2.95Å; S1050-Q1054 WeakPolarHBondContact O-CB 3.45Å; S1050-Q1054 PolarHBondContact O-N 3.38Å
1051F96.2Very high95.5Very high183 Ų18374.2 Ų74.280%0.80341%0.409SS*.Hα-helixtrans-66.5-40.1177.4-69.6-68.8000113.1S1049 L1053 Q1054 D1055S1049-F1051 VanDerWaalsContact C-N 3.3Å; S1049-F1051 PolarHBondContact O-N 3.43Å; F1051-L1053 VanDerWaalsContact C-N 3.32Å; F1051-Q1054 PolarHBondContact O-N 2.85Å; F1051-D1055 VanDerWaalsContact O-CB 3.31Å; F1051-D1055 WeakPolarHBondContact O-CB 3.4Å; F1051-D1055 PolarHBondContact O-N 3.5Å
1052L96.5Very high95.5Very high94 Ų9470.1 Ų70.149%0.49239%0.393SS..Hα-helixtrans-67.3-38.5175.9-73.2177.1000110.9L1044 S1049 D1055 R1056L1044-L1052 HydrophobicContact CD1-CB 4.18Å; S1049-L1052 PolarHBondContact O-N 3.04Å; S1049-L1052 VanDerWaalsContact O-N 3.11Å; L1052-D1055 PolarHBondContact O-N 3.37Å; L1052-R1056 WeakPolarHBondContact O-CG 3.31Å; L1052-R1056 PolarHBondContact O-N 2.99Å
1053L95.6Very high95.4Very high28 Ų2872.7 Ų72.715%0.14740%0.397CS..Hα-helixtrans-61.6-49.5175.7-174.469.3000111.4R1041 L1044 L1045 S1049 S1050 F1051 D1055 R1056 L1057R1041-L1053 HydrophobicContact CB-CD1 4.37Å; R1041-L1053 HydrophobicContact CG-CD1 3.84Å; L1044-L1053 HydrophobicContact CB-CB 4.48Å; L1044-L1053 HydrophobicContact CB-CD1 4.21Å; L1044-L1053 HydrophobicContact CD1-CB 4.44Å; L1044-L1053 HydrophobicContact CD1-CD1 4.32Å; L1045-L1053 HydrophobicContact CD2-CD2 3.45Å; L1045-L1053 VanDerWaalsContact CD2-CD2 3.45Å; L1045-L1053 HydrophobicContact CG-CD2 3.84Å; S1049-L1053 PolarHBondContact O-N 3.36Å; S1050-L1053 WeakPolarHBondContact O-CB 3.11Å; S1050-L1053 PolarHBondContact O-N 2.95Å; F1051-L1053 VanDerWaalsContact C-N 3.32Å; L1053-D1055 VanDerWaalsContact C-N 3.29Å; L1053-D1055 PolarHBondContact O-N 3.17Å; L1053-R1056 PolarHBondContact O-N 3.07Å; L1053-L1057 HydrophobicContact CD1-CD1 3.56Å; L1053-L1057 HydrophobicContact CD1-CG 4.23Å; L1053-L1057 HydrophobicContact CG-CD1 4.1Å; L1053-L1057 WeakPolarHBondContact O-CB 3.49Å; L1053-L1057 PolarHBondContact O-N 3.4Å
1054Q95.3Very high95.2Very high99 Ų9970.9 Ų70.946%0.46338%0.382SS..Hα-helixtrans-61.8-38.7175.9-172.866.97.600111.4S1050 F1051 F1058 N1059S1050-Q1054 WeakPolarHBondContact O-CB 3.45Å; S1050-Q1054 PolarHBondContact O-N 3.38Å; F1051-Q1054 PolarHBondContact O-N 2.85Å; Q1054-F1058 HydrophobicContact CG-CD1 4.38Å; Q1054-F1058 WeakPolarHBondContact O-CA 3.37Å; Q1054-F1058 VanDerWaalsContact O-CB 3.23Å; Q1054-F1058 WeakPolarHBondContact O-CB 3.45Å; Q1054-F1058 PolarHBondContact O-N 2.95Å; Q1054-N1059 PolarHBondContact O-N 3.22Å; Q1054-N1059 VanDerWaalsContact O-N 3.1Å
1055D95.5Very high95Very high42 Ų4273.6 Ų73.623%0.22540%0.399CS..Iπ-helixtrans-62.1-51.8177.2-174.360.1000111.8F1051 L1052 L1053 N1059 C1060F1051-D1055 VanDerWaalsContact O-CB 3.31Å; F1051-D1055 WeakPolarHBondContact O-CB 3.4Å; F1051-D1055 PolarHBondContact O-N 3.5Å; L1052-D1055 PolarHBondContact O-N 3.37Å; L1053-D1055 VanDerWaalsContact C-N 3.29Å; L1053-D1055 PolarHBondContact O-N 3.17Å; D1055-N1059 PolarHBondContact O-N 3.49Å; D1055-C1060 WeakPolarHBondContact O-CB 3.22Å; D1055-C1060 PolarHBondContact O-N 3.46Å
1056R94.6Very high94.7Very high127 Ų12769.1 Ų69.148%0.47938%0.376SS..Iπ-helixtrans-71.2-44-175.2-66-62.2117.3165.95.8113.4F1036 L1052 L1053F1036-R1056 HydrophobicContact CD2-CB 4.25Å; F1036-R1056 HydrophobicContact CD2-CG 4.44Å; F1036-R1056 HydrophobicContact CE2-CB 4.3Å; F1036-R1056 HydrophobicContact CE2-CG 4.25Å; F1036-R1056 HydrophobicContact CG-CB 4.47Å; L1052-R1056 WeakPolarHBondContact O-CG 3.31Å; L1052-R1056 PolarHBondContact O-N 2.99Å; L1053-R1056 PolarHBondContact O-N 3.07Å
1057L94.8Very high94.3Very high69 Ų6967.8 Ų67.836%0.36136%0.355SS..Iπ-helixtrans-85.1-22.4-175.4-70.5179.9000113.8F1036 R1041 L1053F1036-L1057 HydrophobicContact CD1-CD2 3.74Å; F1036-L1057 HydrophobicContact CD1-CG 4.25Å; F1036-L1057 HydrophobicContact CE1-CD2 4.41Å; F1036-L1057 HydrophobicContact CE1-CG 4.49Å; R1041-L1057 HydrophobicContact CG-CD1 4.06Å; L1053-L1057 HydrophobicContact CD1-CD1 3.56Å; L1053-L1057 HydrophobicContact CD1-CG 4.23Å; L1053-L1057 HydrophobicContact CG-CD1 4.1Å; L1053-L1057 WeakPolarHBondContact O-CB 3.49Å; L1053-L1057 PolarHBondContact O-N 3.4Å
1058F94.4Very high94Very high21 Ų2160.5 Ų60.59%0.09232%0.321CS..Iπ-helixtrans-120.9-63.8-176.1175.1-104.9000112.8Q1054 C1060 S1061 D1062 R1063 V1111 P1112Q1054-F1058 HydrophobicContact CG-CD1 4.38Å; Q1054-F1058 WeakPolarHBondContact O-CA 3.37Å; Q1054-F1058 VanDerWaalsContact O-CB 3.23Å; Q1054-F1058 WeakPolarHBondContact O-CB 3.45Å; Q1054-F1058 PolarHBondContact O-N 2.95Å; F1058-C1060 PolarHBondContact O-N 3.12Å; F1058-S1061 PolarHBondContact O-N 3.05Å; F1058-D1062 PolarHBondContact O-N 3.45Å; F1058-R1063 HydrophobicContact CD1-CB 4.4Å; F1058-R1063 HydrophobicContact CD1-CG 4.43Å; F1058-R1063 HydrophobicContact CE1-CB 4.27Å; F1058-R1063 HydrophobicContact CE1-CG 3.85Å; F1058-R1063 HydrophobicContact CE2-CB 4.39Å; F1058-R1063 HydrophobicContact CE2-CG 4.38Å; F1058-R1063 HydrophobicContact CZ-CB 4.29Å; F1058-R1063 HydrophobicContact CZ-CG 3.86Å; F1058-R1063 WeakPolarHBondContact O-CB 3.41Å; F1058-R1063 PolarHBondContact O-N 3.26Å; F1058-R1063 VanDerWaalsContact O-N 3.08Å; F1058-V1111 VanDerWaalsContact CE2-C 3.47Å; F1058-P1112 HydrophobicContact CD2-CB 4.4Å; F1058-P1112 HydrophobicContact CD2-CG 3.87Å; F1058-P1112 HydrophobicContact CE2-CG 4.11Å
1059N93.8Very high93.7Very high62 Ų6257.7 Ų57.733%0.33229%0.292SS..Iπ-helixtrans-62.7-45.3-171.7-67.5-35000113.2Q1054 D1055Q1054-N1059 PolarHBondContact O-N 3.22Å; Q1054-N1059 VanDerWaalsContact O-N 3.1Å; D1055-N1059 PolarHBondContact O-N 3.49Å
1060C92.4Very high93.3Very high65 Ų6559.7 Ų59.744%0.43930%0.303SS..THydrogen-bonded Turntrans-87-4.6-178.2-65.10000114.2D1055 F1058D1055-C1060 WeakPolarHBondContact O-CB 3.22Å; D1055-C1060 PolarHBondContact O-N 3.46Å; F1058-C1060 PolarHBondContact O-N 3.12Å
1061S93.5Very high92.9Very high20 Ų2060.1 Ų60.114%0.1430%0.299CS..THydrogen-bonded Turntrans-103.7-89.5-176.2-1770000110.9R1017 F1058R1017-S1061 PolarHBondContact NH2-O 2.96Å; F1058-S1061 PolarHBondContact O-N 3.05Å
1062D95Very high92.4Very high3 Ų352.2 Ų52.22%0.01627%0.267CS..THydrogen-bonded Turntrans-132.624.8-167.568.6-35000113.1Q1023 F1058 S1064 P1112 Y1113 V1114Q1023-D1062 HydrophobicContact CG-CB 3.8Å; F1058-D1062 PolarHBondContact O-N 3.45Å; D1062-S1064 PolarHBondContact O-N 3.08Å; D1062-S1064 VanDerWaalsContact O-N 3.13Å; D1062-P1112 WeakPolarHBondContact OD2-CB 3.32Å; D1062-Y1113 WeakPolarHBondContact O-CB 3.44Å; D1062-Y1113 PolarHBondContact O-N 2.85Å; D1062-Y1113 PolarHBondContact OD2-N 3.31Å; D1062-Y1113 VanDerWaalsContact OD2-N 3.11Å; D1062-V1114 WeakPolarHBondContact OD2-CG1 3.35Å; D1062-V1114 PolarHBondContact OD2-N 3.42Å
1063R94.8Very high91.9Very high130 Ų13047.8 Ų47.849%0.49124%0.243SC..EExtended strand (participates in β ladder)trans-45.4123.3171.1176.7175.6176.7-171.7-1.4110.7F1058F1058-R1063 HydrophobicContact CD1-CB 4.4Å; F1058-R1063 HydrophobicContact CD1-CG 4.43Å; F1058-R1063 HydrophobicContact CE1-CB 4.27Å; F1058-R1063 HydrophobicContact CE1-CG 3.85Å; F1058-R1063 HydrophobicContact CE2-CB 4.39Å; F1058-R1063 HydrophobicContact CE2-CG 4.38Å; F1058-R1063 HydrophobicContact CZ-CB 4.29Å; F1058-R1063 HydrophobicContact CZ-CG 3.86Å; F1058-R1063 WeakPolarHBondContact O-CB 3.41Å; F1058-R1063 PolarHBondContact O-N 3.26Å; F1058-R1063 VanDerWaalsContact O-N 3.08Å
1064S93.4Very high91.6Very high13 Ų1347.1 Ų47.19%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-136.1146176.976.10000110.6D1062 S1110 V1111D1062-S1064 PolarHBondContact O-N 3.08Å; D1062-S1064 VanDerWaalsContact O-N 3.13Å; S1064-S1110 CarbonylContact O-C 3.53Å; S1064-S1110 WeakPolarHBondContact O-CA 3.38Å; S1064-V1111 CarbonylContact C-O 3.54Å; S1064-V1111 PolarHBondContact N-O 3.4Å; S1064-V1111 PolarHBondContact O-N 3.39Å; S1064-V1111 PolarHBondContact OG-O 3.19Å
1065V91.2Very high91.3Very high86 Ų8643 Ų4352%0.52122%0.222SC..EExtended strand (participates in β ladder)trans-95.3118.8171.4-176.20000107.4
1066A89.6Confident90.9Very high2 Ų244.7 Ų44.72%0.01723%0.231CC..EExtended strand (participates in β ladder)trans-114146.418000000110.5L1075 S1108 L1109 V1111 R1116A1066-L1075 HydrophobicContact CB-CD1 3.59Å; A1066-S1108 WeakPolarHBondContact O-CA 3.42Å; A1066-L1109 PolarHBondContact N-O 2.87Å; A1066-L1109 PolarHBondContact O-N 3.31Å; A1066-V1111 HydrophobicContact CB-CG2 3.65Å; A1066-R1116 HydrophobicContact CB-CG 4.36Å
1067Q89.4Confident90.5Very high62 Ų6238.9 Ų38.929%0.2921%0.209SC..EExtended strand (participates in β ladder)trans-88.5130.8173.7-59-59.5-42.400108.4P1078 T1095 V1106 D1107 S1108Q1067-P1078 HydrophobicContact CB-CB 3.86Å; Q1067-P1078 HydrophobicContact CB-CG 4.37Å; Q1067-T1095 HydrophobicContact CB-CG2 4.34Å; Q1067-T1095 HydrophobicContact CG-CG2 4.31Å; Q1067-V1106 HydrophobicContact CB-CG1 3.84Å; Q1067-V1106 HydrophobicContact CG-CG1 4.5Å; Q1067-D1107 CarbonylContact C-O 3.51Å; Q1067-D1107 WeakPolarHBondContact CA-O 3.45Å; Q1067-S1108 PolarHBondContact NE2-OG 3.36Å; Q1067-S1108 PolarHBondContact OE1-OG 2.94Å
1068V90.3Very high90.2Very high2 Ų236.5 Ų36.51%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-126.8137.3178.6-179.70000108.6L1075 V1106 D1107 L1131 V1133V1068-L1075 HydrophobicContact CG2-CD1 3.39Å; V1068-V1106 WeakPolarHBondContact O-CA 3.38Å; V1068-D1107 PolarHBondContact N-O 3.06Å; V1068-D1107 PolarHBondContact O-N 2.81Å; V1068-L1131 HydrophobicContact CG1-CB 4.45Å; V1068-L1131 HydrophobicContact CG1-CD1 4.22Å; V1068-L1131 HydrophobicContact CG2-CD1 4.02Å; V1068-V1133 HydrophobicContact CB-CG2 4.39Å; V1068-V1133 HydrophobicContact CG1-CG2 3.7Å
1069C90.1Very high89.7Confident0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-83.7120.8171.3178.80000110.2C1072 G1073 S1074 P1078 C1097 S1105C1069-C1072 VanDerWaalsContact CB-SG 3.5Å; C1069-G1073 WeakPolarHBondContact O-CA 3.42Å; C1069-G1073 PolarHBondContact O-N 2.96Å; C1069-S1074 PolarHBondContact N-O 3.13Å; C1069-S1074 VanDerWaalsContact N-O 3.15Å; C1069-P1078 HydrophobicContact CB-CG 4.31Å; C1069-C1097 HydrophobicContact CB-CB 3.88Å; C1069-C1097 VanDerWaalsContact CB-SG 3.6Å; C1069-S1105 CarbonylContact C-O 3.43Å; C1069-S1105 VanDerWaalsContact CA-O 3.23Å; C1069-S1105 WeakPolarHBondContact CA-O 3.36Å
1070V88.3Confident89.1Confident69 Ų6942 Ų4242%0.41823%0.228SC..THydrogen-bonded Turntrans-64.8-38.1-179.4-175.20000111.3S1105 D1107V1070-S1105 PolarHBondContact N-O 3.5Å; V1070-D1107 HydrophobicContact CG2-CB 4.03Å
1071D85.9Confident88.1Confident85 Ų8544.7 Ų44.746%0.45523%0.234SC..THydrogen-bonded Turntrans-67.3-47.3-178.3-67-20.6000112.6K1102 S1105D1071-K1102 IonicContact OD2-NZ 3.81Å; D1071-S1105 VanDerWaalsContact CG-CB 3.45Å; D1071-S1105 WeakPolarHBondContact OD2-CB 3.41Å; D1071-S1105 PolarHBondContact OD2-OG 2.98Å
1072C85.5Confident86.6Confident18 Ų1852.8 Ų52.812%0.12227%0.266CS..THydrogen-bonded Turntrans-101.1-7-175.768.50000114.6C1069 S1074 C1097 C1100C1069-C1072 VanDerWaalsContact CB-SG 3.5Å; C1072-S1074 PolarHBondContact O-N 2.86Å; C1072-S1074 VanDerWaalsContact SG-CB 3.59Å; C1072-C1097 VanDerWaalsContact SG-SG 3.61Å; C1072-C1100 VanDerWaalsContact CB-SG 3.54Å; C1072-C1100 VanDerWaalsContact SG-SG 3.68Å
1073G87.5Confident84.8Confident0 Ų057.9 Ų57.90%030%0.3CS..  trans63.916.8-178.700000114.4C1069 L1131C1069-G1073 WeakPolarHBondContact O-CA 3.42Å; C1069-G1073 PolarHBondContact O-N 2.96Å; G1073-L1131 WeakPolarHBondContact CA-O 3.36Å; G1073-L1131 PolarHBondContact O-N 2.88Å
1074S88.1Confident82.9Confident14 Ų1456.2 Ų56.210%0.09831%0.306CS..  trans-93.3131.7-174.1173.70000111.4C1069 C1072 L1076 S1077 P1078C1069-S1074 PolarHBondContact N-O 3.13Å; C1069-S1074 VanDerWaalsContact N-O 3.15Å; C1072-S1074 PolarHBondContact O-N 2.86Å; C1072-S1074 VanDerWaalsContact SG-CB 3.59Å; S1074-L1076 PolarHBondContact OG-N 3.24Å; S1074-S1077 WeakPolarHBondContact CB-OG 3.28Å; S1074-S1077 PolarHBondContact OG-N 3.41Å; S1074-S1077 PolarHBondContact OG-OG 3.02Å; S1074-P1078 WeakPolarHBondContact O-CD 3.37Å
1075L88.5Confident81.2Confident12 Ų1260.4 Ų60.46%0.06333%0.332CS..SBendtrans-85.4-18.9176.7-172.569.2000112.7A1066 V1068 F1115 R1116 V1119 L1131A1066-L1075 HydrophobicContact CB-CD1 3.59Å; V1068-L1075 HydrophobicContact CG2-CD1 3.39Å; L1075-F1115 HydrophobicContact CD2-CD1 4.3Å; L1075-F1115 HydrophobicContact CD2-CE1 4.38Å; L1075-R1116 HydrophobicContact CD2-CB 4.24Å; L1075-R1116 HydrophobicContact CD2-CG 4Å; L1075-V1119 HydrophobicContact CB-CG1 4.37Å; L1075-V1119 HydrophobicContact CD2-CB 4.1Å; L1075-V1119 HydrophobicContact CD2-CG1 4.36Å; L1075-V1119 HydrophobicContact CD2-CG2 3.92Å; L1075-L1131 HydrophobicContact CB-CD1 4.19Å; L1075-L1131 HydrophobicContact CD1-CD1 4.26Å
1076L88.1Confident79.5Confident78 Ų7866.8 Ų66.841%0.40835%0.349SS..SBendtrans-104.4-19.8-173.1-59.3178.5000113.9S1074 V1119 A1120 A1123S1074-L1076 PolarHBondContact OG-N 3.24Å; L1076-V1119 HydrophobicContact CD1-CG1 4.07Å; L1076-V1119 HydrophobicContact CG-CG1 4.03Å; L1076-A1120 HydrophobicContact CD1-CB 4.45Å; L1076-A1120 HydrophobicContact CD2-CB 4.28Å; L1076-A1123 HydrophobicContact CD1-CB 3.71Å
1077S86.9Confident78Confident5 Ų577.7 Ų77.74%0.03539%0.39CS..SBendtrans-78.3-24.6-178.357.20000115.5S1074 L1079 C1097 S1098S1074-S1077 WeakPolarHBondContact CB-OG 3.28Å; S1074-S1077 PolarHBondContact OG-N 3.41Å; S1074-S1077 PolarHBondContact OG-OG 3.02Å; S1077-L1079 PolarHBondContact O-N 2.91Å; S1077-C1097 PolarHBondContact OG-SG 3.41Å; S1077-S1098 WeakPolarHBondContact CB-OG 3.15Å; S1077-S1098 PolarHBondContact O-N 3.15Å; S1077-S1098 PolarHBondContact O-OG 2.9Å
1078P88.4Confident76.2Confident19 Ų1978.6 Ų78.612%0.12340%0.403CS..EExtended strand (participates in β ladder)trans-66.1116.3173.7-23.837.7000111.4Q1067 C1069 S1074 T1095 V1106Q1067-P1078 HydrophobicContact CB-CB 3.86Å; Q1067-P1078 HydrophobicContact CB-CG 4.37Å; C1069-P1078 HydrophobicContact CB-CG 4.31Å; S1074-P1078 WeakPolarHBondContact O-CD 3.37Å; P1078-T1095 HydrophobicContact CB-CG2 3.69Å; P1078-V1106 HydrophobicContact CB-CG1 4.08Å; P1078-V1106 HydrophobicContact CG-CG1 4.37Å
1079L84.1Confident74.4Confident107 Ų10783.7 Ų83.756%0.5645%0.445SS*.EExtended strand (participates in β ladder)trans-117.5147.1177.9-66176.1000110.5S1077 T1095 V1096S1077-L1079 PolarHBondContact O-N 2.91Å; L1079-T1095 WeakPolarHBondContact O-CA 3.46Å; L1079-T1095 WeakPolarHBondContact O-CG2 3.43Å; L1079-V1096 PolarHBondContact N-O 2.8Å; L1079-V1096 PolarHBondContact O-N 3.21Å
1080L81Confident72.4Confident92 Ų9291.5 Ų91.548%0.48248%0.483SS..EExtended strand (participates in β ladder)trans-74.7131.3173.3-157.3102.2000109.3R1093L1080-R1093 HydrophobicContact CD1-CB 3.84Å; L1080-R1093 HydrophobicContact CD1-CG 4.09Å
1081E71.3Confident71Confident122 Ų12299.7 Ų99.757%0.5751%0.507SS*.  trans-65.5145.4166.9-150.4170.6-179.100109.3K1094E1081-K1094 PolarHBondContact N-O 3.29Å; E1081-K1094 VanDerWaalsContact N-O 3.12Å
1082K61.8Low69.5Low189 Ų189104.4 Ų104.482%0.82253%0.526SS*.  trans-29.8141-164.6-69.6178.1179.6175.40116.6
1083P56.3Low68.5Low111 Ų111113.8 Ų113.872%0.72156%0.559SS**PPolyproline II helixtrans-64.3131.9175.327.4-32.6000110.7
1084P56.2Low67.7Low95 Ų95119.3 Ų119.362%0.61758%0.583SS**PPolyproline II helixtrans-71.4159.1177.327.5-32.3000111.9
1085P57.8Low67.3Low100 Ų100119.9 Ų119.965%0.64959%0.586SS**PPolyproline II helixtrans-60149.4174.522.2-30.8000112.4W1087P1085-W1087 PolarHBondContact O-N 3.04Å
1086Y54.1Low67.1Low221 Ų221121.2 Ų121.287%0.86759%0.594SS**THydrogen-bonded Turntrans-53.4-12.8-166.8172.6-109.7000116.7
1087W57.8Low67.1Low231 Ų231117.5 Ų117.588%0.87558%0.575SS**THydrogen-bonded Turntrans-101.82.6-168.3-41.8-39.4000115.4P1085P1085-W1087 PolarHBondContact O-N 3.04Å
1088S53.3Low67Low81 Ų81120.9 Ų120.957%0.56660%0.598SS**  trans-102.4114.4-177.1-172.80000112.4
1089A51.9Low66.9Low108 Ų108125.3 Ų125.389%0.89362%0.62SS**  trans-89.51.5-177.700000114.5
1090M48.8Very low66.9Low164 Ų164122.2 Ų122.281%0.80861%0.607SS**  trans-153.997.2-167.5-144.4154.7154.700111.2
1091R58.6Low66.8Low241 Ų241120.7 Ų120.791%0.90961%0.614SS**  trans170.8160.2139.7-94170.8-171.4-159.63.5115.2
1092H54.3Low67.3Low185 Ų185120.6 Ų120.686%0.85661%0.612SS**  trans-51.7128.2-169.8-64.2-88.1000115.9K1094H1092-K1094 PolarHBondContact O-N 2.86Å
1093R63.7Low68.1Low215 Ų215113 Ų11381%0.81158%0.582SS**  trans-71.4106.1167.9-72.5178.5-176-176.21.8109.2L1080L1080-R1093 HydrophobicContact CD1-CB 3.84Å; L1080-R1093 HydrophobicContact CD1-CG 4.09Å
1094K70.8Confident69.2Low115 Ų115115 Ų11550%0.559%0.587SS.*  trans-85120.7174.5-162.2175.1-178-1780109.4E1081 H1092 S1103E1081-K1094 PolarHBondContact N-O 3.29Å; E1081-K1094 VanDerWaalsContact N-O 3.12Å; H1092-K1094 PolarHBondContact O-N 2.86Å; K1094-S1103 VanDerWaalsContact CE-CB 3.47Å; K1094-S1103 VanDerWaalsContact CE-OG 3.22Å; K1094-S1103 WeakPolarHBondContact CE-OG 3.44Å
1095T79.8Confident70.4Confident27 Ų27111 Ų11117%0.16656%0.561CS.*EExtended strand (participates in β ladder)trans-103.8129.5177.4-49.80000108.2Q1067 P1078 L1079 V1106Q1067-T1095 HydrophobicContact CB-CG2 4.34Å; Q1067-T1095 HydrophobicContact CG-CG2 4.31Å; P1078-T1095 HydrophobicContact CB-CG2 3.69Å; L1079-T1095 WeakPolarHBondContact O-CA 3.46Å; L1079-T1095 WeakPolarHBondContact O-CG2 3.43Å; T1095-V1106 HydrophobicContact CG2-CG1 4.07Å
1096V85.3Confident71.7Confident39 Ų39107.5 Ų107.524%0.23654%0.538CS..EExtended strand (participates in β ladder)trans-121.4134.9179.9-178.50000108.7L1079 S1098L1079-V1096 PolarHBondContact N-O 2.8Å; L1079-V1096 PolarHBondContact O-N 3.21Å; V1096-S1098 PolarHBondContact O-N 3.4Å
1097C86.3Confident73.3Confident0 Ų0101.4 Ų101.40%052%0.52CS..EExtended strand (participates in β ladder)trans-73120.7172.8179.50000110.3C1069 C1072 S1077 L1099 C1100 G1101 K1102 V1106C1069-C1097 HydrophobicContact CB-CB 3.88Å; C1069-C1097 VanDerWaalsContact CB-SG 3.6Å; C1072-C1097 VanDerWaalsContact SG-SG 3.61Å; S1077-C1097 PolarHBondContact OG-SG 3.41Å; C1097-L1099 PolarHBondContact O-N 2.93Å; C1097-C1100 HydrophobicContact CB-CB 4.1Å; C1097-C1100 PolarHBondContact O-N 3.12Å; C1097-G1101 WeakPolarHBondContact O-CA 3.37Å; C1097-G1101 PolarHBondContact O-N 3.14Å; C1097-K1102 PolarHBondContact N-O 3.2Å; C1097-V1106 HydrophobicContact CB-CG2 4.21Å
1098S85.8Confident74.8Confident76 Ų7693.5 Ų93.553%0.53150%0.5SS..THydrogen-bonded Turntrans-64.4-26.2179.160.90000114.1S1077 V1096S1077-S1098 WeakPolarHBondContact CB-OG 3.15Å; S1077-S1098 PolarHBondContact O-N 3.15Å; S1077-S1098 PolarHBondContact O-OG 2.9Å; V1096-S1098 PolarHBondContact O-N 3.4Å
1099L85.9Confident76.5Confident112 Ų11293 Ų9359%0.58649%0.491SS*.THydrogen-bonded Turntrans-84.9-34.1179.3-65.5175.1000112.9C1097C1097-L1099 PolarHBondContact O-N 2.93Å
1100C84.2Confident78.4Confident43 Ų4390.4 Ų90.429%0.29147%0.466SS..THydrogen-bonded Turntrans-102.3-18.5-175.2-620000113.4C1072 C1097 K1102C1072-C1100 VanDerWaalsContact CB-SG 3.54Å; C1072-C1100 VanDerWaalsContact SG-SG 3.68Å; C1097-C1100 HydrophobicContact CB-CB 4.1Å; C1097-C1100 PolarHBondContact O-N 3.12Å; C1100-K1102 PolarHBondContact O-N 3.42Å; C1100-K1102 VanDerWaalsContact O-N 3.17Å
1101G80.1Confident80.6Confident60 Ų6083 Ų8362%0.61943%0.43SS*.  trans68.94.2-176.900000115.2C1097C1097-G1101 WeakPolarHBondContact O-CA 3.37Å; C1097-G1101 PolarHBondContact O-N 3.14Å
1102K80.6Confident82.3Confident120 Ų12073.6 Ų73.652%0.52240%0.4SS..  trans-104.5140.1-176.6-62.7177.5-171.7175.20111.1D1071 C1097 C1100D1071-K1102 IonicContact OD2-NZ 3.81Å; C1097-K1102 PolarHBondContact N-O 3.2Å; C1100-K1102 PolarHBondContact O-N 3.42Å; C1100-K1102 VanDerWaalsContact O-N 3.17Å
1103S78.6Confident84.2Confident28 Ų2868.3 Ų68.320%0.19637%0.373CS..SBendtrans-84.7-31.3168.6470000112.7K1094 S1105 V1106K1094-S1103 VanDerWaalsContact CE-CB 3.47Å; K1094-S1103 VanDerWaalsContact CE-OG 3.22Å; K1094-S1103 WeakPolarHBondContact CE-OG 3.44Å; S1103-S1105 PolarHBondContact O-N 3.32Å; S1103-V1106 PolarHBondContact O-N 3.42Å
1104D80.5Confident85.8Confident153 Ų15360.6 Ų60.682%0.81835%0.35SS*.THydrogen-bonded Turntrans-79.2-13-165.8-51.6-10.3000112.3
1105S80.7Confident86.9Confident13 Ų1358.1 Ų58.19%0.09134%0.339CS..THydrogen-bonded Turntrans-99.820.1176.360.50000113.5C1069 V1070 D1071 S1103C1069-S1105 CarbonylContact C-O 3.43Å; C1069-S1105 VanDerWaalsContact CA-O 3.23Å; C1069-S1105 WeakPolarHBondContact CA-O 3.36Å; V1070-S1105 PolarHBondContact N-O 3.5Å; D1071-S1105 VanDerWaalsContact CG-CB 3.45Å; D1071-S1105 WeakPolarHBondContact OD2-CB 3.41Å; D1071-S1105 PolarHBondContact OD2-OG 2.98Å; S1103-S1105 PolarHBondContact O-N 3.32Å
1106V85.5Confident87.5Confident26 Ų2660.9 Ų60.916%0.15835%0.347CS..EExtended strand (participates in β ladder)trans-106.4122.4175.3-178.10000109.9Q1067 V1068 P1078 T1095 C1097 S1103Q1067-V1106 HydrophobicContact CB-CG1 3.84Å; Q1067-V1106 HydrophobicContact CG-CG1 4.5Å; V1068-V1106 WeakPolarHBondContact O-CA 3.38Å; P1078-V1106 HydrophobicContact CB-CG1 4.08Å; P1078-V1106 HydrophobicContact CG-CG1 4.37Å; T1095-V1106 HydrophobicContact CG2-CG1 4.07Å; C1097-V1106 HydrophobicContact CB-CG2 4.21Å; S1103-V1106 PolarHBondContact O-N 3.42Å
1107D87.2Confident87.9Confident92 Ų9263.4 Ų63.449%0.49235%0.353SS..EExtended strand (participates in β ladder)trans-122.3161178.2-157.2-1.5000112Q1067 V1068 V1070Q1067-D1107 CarbonylContact C-O 3.51Å; Q1067-D1107 WeakPolarHBondContact CA-O 3.45Å; V1068-D1107 PolarHBondContact N-O 3.06Å; V1068-D1107 PolarHBondContact O-N 2.81Å; V1070-D1107 HydrophobicContact CG2-CB 4.03Å
1108S88.1Confident88.3Confident65 Ų6568.6 Ų68.646%0.45538%0.375SS..EExtended strand (participates in β ladder)trans-102116-176.4-63.60000111.9A1066 Q1067A1066-S1108 WeakPolarHBondContact O-CA 3.42Å; Q1067-S1108 PolarHBondContact NE2-OG 3.36Å; Q1067-S1108 PolarHBondContact OE1-OG 2.94Å
1109L90.4Very high88.7Confident71 Ų7165.2 Ų65.237%0.37235%0.352SS..EExtended strand (participates in β ladder)trans-116.2142.2177.5-159.1136.3000111.3A1066 V1111 V1133A1066-L1109 PolarHBondContact N-O 2.87Å; A1066-L1109 PolarHBondContact O-N 3.31Å; L1109-V1111 HydrophobicContact CD2-CG1 3.23Å; L1109-V1133 HydrophobicContact CD1-CG1 4.36Å
1110S92Very high89Confident53 Ų5361.8 Ų61.837%0.37134%0.339SS..EExtended strand (participates in β ladder)trans-86.8110.7174.6-64.40000110S1064S1064-S1110 CarbonylContact O-C 3.53Å; S1064-S1110 WeakPolarHBondContact O-CA 3.38Å
1111V93.4Very high89.6Confident9 Ų963.9 Ų63.96%0.05535%0.345CS..EExtended strand (participates in β ladder)trans-126.3153.3179.5-64.40000111.5F1058 S1064 A1066 L1109 Y1113 F1115 R1116F1058-V1111 VanDerWaalsContact CE2-C 3.47Å; S1064-V1111 CarbonylContact C-O 3.54Å; S1064-V1111 PolarHBondContact N-O 3.4Å; S1064-V1111 PolarHBondContact O-N 3.39Å; S1064-V1111 PolarHBondContact OG-O 3.19Å; A1066-V1111 HydrophobicContact CB-CG2 3.65Å; L1109-V1111 HydrophobicContact CD2-CG1 3.23Å; V1111-Y1113 PolarHBondContact O-N 3.43Å; V1111-F1115 HydrophobicContact CB-CD1 4.26Å; V1111-F1115 HydrophobicContact CG1-CD1 4.29Å; V1111-R1116 HydrophobicContact CG2-CG 3.83Å
1112P95.2Very high90.3Very high44 Ų4462.5 Ų62.529%0.28632%0.323SS..EExtended strand (participates in β ladder)trans-57.9135.8169.4-17.527.6000108.7F1058 D1062 V1114 F1115F1058-P1112 HydrophobicContact CD2-CB 4.4Å; F1058-P1112 HydrophobicContact CD2-CG 3.87Å; F1058-P1112 HydrophobicContact CE2-CG 4.11Å; D1062-P1112 WeakPolarHBondContact OD2-CB 3.32Å; P1112-V1114 HydrophobicContact CB-CG1 4.06Å; P1112-V1114 PolarHBondContact O-N 2.86Å; P1112-F1115 HydrophobicContact CB-CB 4.3Å; P1112-F1115 HydrophobicContact CG-CB 4.45Å; P1112-F1115 VanDerWaalsContact O-CB 3.28Å; P1112-F1115 WeakPolarHBondContact O-CB 3.46Å; P1112-F1115 PolarHBondContact O-N 2.93Å
1113Y94.8Very high90.9Very high73 Ų7358.8 Ų58.829%0.28632%0.315SS..Hα-helixtrans-60.1-36.8179.1-170.4-88.7000111.2V1020 T1021 N1022 D1062 V1111 F1115 R1116 Y1117V1020-Y1113 VanDerWaalsContact O-CE1 3.27Å; V1020-Y1113 WeakPolarHBondContact O-CE1 3.43Å; T1021-Y1113 WeakPolarHBondContact O-CD1 3.49Å; N1022-Y1113 HydrophobicContact CB-CD1 3.43Å; N1022-Y1113 VanDerWaalsContact CB-CD1 3.43Å; N1022-Y1113 HydrophobicContact CB-CD2 4.03Å; N1022-Y1113 HydrophobicContact CB-CE1 3.99Å; N1022-Y1113 HydrophobicContact CB-CG 3.44Å; N1022-Y1113 VanDerWaalsContact CB-CG 3.44Å; D1062-Y1113 WeakPolarHBondContact O-CB 3.44Å; D1062-Y1113 PolarHBondContact O-N 2.85Å; D1062-Y1113 PolarHBondContact OD2-N 3.31Å; D1062-Y1113 VanDerWaalsContact OD2-N 3.11Å; V1111-Y1113 PolarHBondContact O-N 3.43Å; Y1113-F1115 PolarHBondContact O-N 2.83Å; Y1113-R1116 WeakPolarHBondContact O-CB 3.23Å; Y1113-R1116 PolarHBondContact O-N 2.85Å; Y1113-Y1117 PolarHBondContact O-N 2.88Å
1114V95.8Very high91.7Very high53 Ų5361 Ų6132%0.32134%0.335SS..Hα-helixtrans-60-28.8176.573.60000112.6T1021 D1062 P1112 R1116 Y1117 F1118T1021-V1114 HydrophobicContact CG2-CG2 4.42Å; D1062-V1114 WeakPolarHBondContact OD2-CG1 3.35Å; D1062-V1114 PolarHBondContact OD2-N 3.42Å; P1112-V1114 HydrophobicContact CB-CG1 4.06Å; P1112-V1114 PolarHBondContact O-N 2.86Å; V1114-R1116 VanDerWaalsContact C-N 3.34Å; V1114-Y1117 PolarHBondContact O-N 3.1Å; V1114-F1118 WeakPolarHBondContact O-CB 3.31Å; V1114-F1118 PolarHBondContact O-N 3.47Å
1115F94.8Very high92.4Very high63 Ų6360.1 Ų60.128%0.27633%0.328SS..Hα-helixtrans-67.2-36.5175.2-177-111.1000111.7L1075 V1111 P1112 Y1113 Y1117 F1118 V1119 L1131L1075-F1115 HydrophobicContact CD2-CD1 4.3Å; L1075-F1115 HydrophobicContact CD2-CE1 4.38Å; V1111-F1115 HydrophobicContact CB-CD1 4.26Å; V1111-F1115 HydrophobicContact CG1-CD1 4.29Å; P1112-F1115 HydrophobicContact CB-CB 4.3Å; P1112-F1115 HydrophobicContact CG-CB 4.45Å; P1112-F1115 VanDerWaalsContact O-CB 3.28Å; P1112-F1115 WeakPolarHBondContact O-CB 3.46Å; P1112-F1115 PolarHBondContact O-N 2.93Å; Y1113-F1115 PolarHBondContact O-N 2.83Å; F1115-Y1117 VanDerWaalsContact C-N 3.34Å; F1115-F1118 HydrophobicContact CD2-CD1 4.34Å; F1115-F1118 HydrophobicContact CE2-CD1 4.37Å; F1115-F1118 PolarHBondContact O-N 2.8Å; F1115-V1119 HydrophobicContact CE1-CG2 4.15Å; F1115-V1119 HydrophobicContact CE2-CG2 4.43Å; F1115-V1119 HydrophobicContact CZ-CG2 4.11Å; F1115-V1119 WeakPolarHBondContact O-CG2 3.45Å; F1115-V1119 PolarHBondContact O-N 2.81Å; F1115-L1131 HydrophobicContact CE1-CD1 4.38Å; F1115-L1131 HydrophobicContact CE1-CD2 3.95Å; F1115-L1131 HydrophobicContact CZ-CD2 3.92Å
1116R91.9Very high93Very high85 Ų8567 Ų6732%0.32136%0.363SS..Hα-helixtrans-63.7-43.1173.9-55.917463.1173.8-3.4111.2A1066 L1075 V1111 Y1113 V1114 V1119 A1120A1066-R1116 HydrophobicContact CB-CG 4.36Å; L1075-R1116 HydrophobicContact CD2-CB 4.24Å; L1075-R1116 HydrophobicContact CD2-CG 4Å; V1111-R1116 HydrophobicContact CG2-CG 3.83Å; Y1113-R1116 WeakPolarHBondContact O-CB 3.23Å; Y1113-R1116 PolarHBondContact O-N 2.85Å; V1114-R1116 VanDerWaalsContact C-N 3.34Å; R1116-V1119 PolarHBondContact O-N 3.15Å; R1116-A1120 PolarHBondContact O-N 2.85Å
1117Y93.9Very high93.4Very high92 Ų9269.7 Ų69.736%0.36138%0.376SS..Hα-helixtrans-62.7-44.3176.3178.1-118.5000111.2V1020 Y1113 V1114 F1115 V1119 A1120 E1121V1020-Y1117 HydrophobicContact CG1-CD1 3.89Å; V1020-Y1117 HydrophobicContact CG1-CD2 3.93Å; V1020-Y1117 HydrophobicContact CG1-CE1 3.6Å; V1020-Y1117 HydrophobicContact CG1-CE2 3.68Å; V1020-Y1117 HydrophobicContact CG1-CG 4.05Å; Y1113-Y1117 PolarHBondContact O-N 2.88Å; V1114-Y1117 PolarHBondContact O-N 3.1Å; F1115-Y1117 VanDerWaalsContact C-N 3.34Å; Y1117-V1119 PolarHBondContact O-N 3.15Å; Y1117-A1120 WeakPolarHBondContact O-CB 3.5Å; Y1117-A1120 PolarHBondContact O-N 3.24Å; Y1117-A1120 VanDerWaalsContact O-N 3.09Å; Y1117-E1121 HydrophobicContact CD1-CG 4.49Å; Y1117-E1121 HydrophobicContact CD2-CG 4.24Å; Y1117-E1121 HydrophobicContact CE1-CG 4.01Å; Y1117-E1121 HydrophobicContact CE2-CG 3.68Å; Y1117-E1121 WeakPolarHBondContact CE2-OE1 3.17Å; Y1117-E1121 PolarHBondContact O-N 3.17Å; Y1117-E1121 VanDerWaalsContact OH-CD 3.31Å; Y1117-E1121 PolarHBondContact OH-OE1 3.4Å
1118F94.9Very high93.5Very high109 Ų10972.3 Ų72.348%0.47838%0.383SS..Hα-helixtrans-57.6-44.8174.6177.5-113000112.7V1114 F1115 A1120 E1121 L1122V1114-F1118 WeakPolarHBondContact O-CB 3.31Å; V1114-F1118 PolarHBondContact O-N 3.47Å; F1115-F1118 HydrophobicContact CD2-CD1 4.34Å; F1115-F1118 HydrophobicContact CE2-CD1 4.37Å; F1115-F1118 PolarHBondContact O-N 2.8Å; F1118-A1120 VanDerWaalsContact C-N 3.31Å; F1118-A1120 PolarHBondContact O-N 2.89Å; F1118-E1121 PolarHBondContact O-N 3.28Å; F1118-L1122 HydrophobicContact CD1-CD1 4.03Å; F1118-L1122 HydrophobicContact CD2-CG 4.45Å; F1118-L1122 HydrophobicContact CE1-CD1 3.46Å; F1118-L1122 VanDerWaalsContact CE1-CD1 3.46Å; F1118-L1122 HydrophobicContact CE1-CG 4.3Å; F1118-L1122 HydrophobicContact CE2-CD1 4.07Å; F1118-L1122 HydrophobicContact CE2-CD2 4.34Å; F1118-L1122 HydrophobicContact CE2-CG 4.1Å; F1118-L1122 HydrophobicContact CZ-CD1 3.49Å; F1118-L1122 VanDerWaalsContact CZ-CD1 3.49Å; F1118-L1122 HydrophobicContact CZ-CD2 4.34Å; F1118-L1122 HydrophobicContact CZ-CG 4.03Å; F1118-L1122 WeakPolarHBondContact O-CG 3.23Å; F1118-L1122 PolarHBondContact O-N 3.31Å
1119V93.9Very high93.7Very high6 Ų671 Ų714%0.03637%0.372CS..Hα-helixtrans-62.9-37.3175.4173.90000111.7L1075 L1076 F1115 R1116 Y1117 A1123 V1129L1075-V1119 HydrophobicContact CB-CG1 4.37Å; L1075-V1119 HydrophobicContact CD2-CB 4.1Å; L1075-V1119 HydrophobicContact CD2-CG1 4.36Å; L1075-V1119 HydrophobicContact CD2-CG2 3.92Å; L1076-V1119 HydrophobicContact CD1-CG1 4.07Å; L1076-V1119 HydrophobicContact CG-CG1 4.03Å; F1115-V1119 HydrophobicContact CE1-CG2 4.15Å; F1115-V1119 HydrophobicContact CE2-CG2 4.43Å; F1115-V1119 HydrophobicContact CZ-CG2 4.11Å; F1115-V1119 WeakPolarHBondContact O-CG2 3.45Å; F1115-V1119 PolarHBondContact O-N 2.81Å; R1116-V1119 PolarHBondContact O-N 3.15Å; Y1117-V1119 PolarHBondContact O-N 3.15Å; V1119-A1123 WeakPolarHBondContact O-CB 3.5Å; V1119-A1123 PolarHBondContact O-N 3.26Å; V1119-V1129 HydrophobicContact CG1-CB 4.08Å; V1119-V1129 HydrophobicContact CG1-CG2 4.32Å; V1119-V1129 HydrophobicContact CG2-CB 4.1Å; V1119-V1129 HydrophobicContact CG2-CG1 4.11Å; V1119-V1129 HydrophobicContact CG2-CG2 4.12Å
1120A92.4Very high93.7Very high39 Ų3974.9 Ų74.932%0.32239%0.386SS..Hα-helixtrans-67.1-43.2176.300000112.8L1076 R1116 Y1117 F1118 A1123 A1124L1076-A1120 HydrophobicContact CD1-CB 4.45Å; L1076-A1120 HydrophobicContact CD2-CB 4.28Å; R1116-A1120 PolarHBondContact O-N 2.85Å; Y1117-A1120 WeakPolarHBondContact O-CB 3.5Å; Y1117-A1120 PolarHBondContact O-N 3.24Å; Y1117-A1120 VanDerWaalsContact O-N 3.09Å; F1118-A1120 VanDerWaalsContact C-N 3.31Å; F1118-A1120 PolarHBondContact O-N 2.89Å; A1120-A1123 PolarHBondContact O-N 3.21Å; A1120-A1124 PolarHBondContact O-N 3.31Å
1121E96Very high93.7Very high88 Ų8874.1 Ų74.141%0.41138%0.377SS..Hα-helixtrans-64.5-41.3175.5-71-66.1153.900111.6Y1117 F1118 A1123 A1124 M1125Y1117-E1121 HydrophobicContact CD1-CG 4.49Å; Y1117-E1121 HydrophobicContact CD2-CG 4.24Å; Y1117-E1121 HydrophobicContact CE1-CG 4.01Å; Y1117-E1121 HydrophobicContact CE2-CG 3.68Å; Y1117-E1121 WeakPolarHBondContact CE2-OE1 3.17Å; Y1117-E1121 PolarHBondContact O-N 3.17Å; Y1117-E1121 VanDerWaalsContact OH-CD 3.31Å; Y1117-E1121 PolarHBondContact OH-OE1 3.4Å; F1118-E1121 PolarHBondContact O-N 3.28Å; E1121-A1123 VanDerWaalsContact C-N 3.34Å; E1121-A1123 PolarHBondContact O-N 3.4Å; E1121-A1124 WeakPolarHBondContact O-CB 3.43Å; E1121-A1124 PolarHBondContact O-N 2.94Å; E1121-M1125 PolarHBondContact O-N 3.09Å; E1121-M1125 VanDerWaalsContact O-N 3.15Å
1122L96.3Very high93.5Very high31 Ų3180 Ų8016%0.16241%0.409CS..Hα-helixtrans-61.8-42.2172.7-74.2-177.7000111.8F1118 A1124 M1125 N1126 I1127 V1129F1118-L1122 HydrophobicContact CD1-CD1 4.03Å; F1118-L1122 HydrophobicContact CD2-CG 4.45Å; F1118-L1122 HydrophobicContact CE1-CD1 3.46Å; F1118-L1122 VanDerWaalsContact CE1-CD1 3.46Å; F1118-L1122 HydrophobicContact CE1-CG 4.3Å; F1118-L1122 HydrophobicContact CE2-CD1 4.07Å; F1118-L1122 HydrophobicContact CE2-CD2 4.34Å; F1118-L1122 HydrophobicContact CE2-CG 4.1Å; F1118-L1122 HydrophobicContact CZ-CD1 3.49Å; F1118-L1122 VanDerWaalsContact CZ-CD1 3.49Å; F1118-L1122 HydrophobicContact CZ-CD2 4.34Å; F1118-L1122 HydrophobicContact CZ-CG 4.03Å; F1118-L1122 WeakPolarHBondContact O-CG 3.23Å; F1118-L1122 PolarHBondContact O-N 3.31Å; L1122-A1124 VanDerWaalsContact C-N 3.3Å; L1122-A1124 PolarHBondContact O-N 3.11Å; L1122-M1125 CarbonylContact O-C 3.54Å; L1122-M1125 WeakPolarHBondContact O-CA 3.22Å; L1122-M1125 WeakPolarHBondContact O-CB 3.45Å; L1122-M1125 PolarHBondContact O-N 3.23Å; L1122-N1126 PolarHBondContact O-N 3.35Å; L1122-I1127 CarbonylContact C-O 3.59Å; L1122-I1127 VanDerWaalsContact C-O 3.25Å; L1122-I1127 HydrophobicContact CB-CB 4.12Å; L1122-I1127 HydrophobicContact CB-CG2 4.33Å; L1122-I1127 HydrophobicContact CD1-CG2 4.48Å; L1122-I1127 HydrophobicContact CD2-CB 4.33Å; L1122-I1127 HydrophobicContact CD2-CD1 4.01Å; L1122-I1127 HydrophobicContact CD2-CG2 4.33Å; L1122-I1127 WeakPolarHBondContact O-CA 3.18Å; L1122-I1127 WeakPolarHBondContact O-CB 3.41Å; L1122-I1127 PolarHBondContact O-N 2.92Å; L1122-V1129 HydrophobicContact CB-CG2 4.29Å; L1122-V1129 HydrophobicContact CD1-CG2 3.47Å; L1122-V1129 VanDerWaalsContact CD1-CG2 3.47Å
1123A92.5Very high93Very high41 Ų4179.6 Ų79.634%0.33941%0.405SS..Hα-helixtrans-62.9-36.3175.500000112.2L1076 V1119 A1120 E1121 M1125 N1126 I1127L1076-A1123 HydrophobicContact CD1-CB 3.71Å; V1119-A1123 WeakPolarHBondContact O-CB 3.5Å; V1119-A1123 PolarHBondContact O-N 3.26Å; A1120-A1123 PolarHBondContact O-N 3.21Å; E1121-A1123 VanDerWaalsContact C-N 3.34Å; E1121-A1123 PolarHBondContact O-N 3.4Å; A1123-M1125 PolarHBondContact O-N 3.44Å; A1123-N1126 WeakPolarHBondContact O-CA 3.16Å; A1123-N1126 PolarHBondContact O-N 3.31Å; A1123-I1127 PolarHBondContact N-O 3.05Å
1124A94.7Very high92.2Very high76 Ų7687.7 Ų87.763%0.62844%0.442SS*.Hα-helixtrans-63.6-27.6173.200000112.7A1120 E1121 L1122 N1126A1120-A1124 PolarHBondContact O-N 3.31Å; E1121-A1124 WeakPolarHBondContact O-CB 3.43Å; E1121-A1124 PolarHBondContact O-N 2.94Å; L1122-A1124 VanDerWaalsContact C-N 3.3Å; L1122-A1124 PolarHBondContact O-N 3.11Å; A1124-N1126 VanDerWaalsContact C-N 3.29Å
1125M96.3Very high92Very high134 Ų13489.4 Ų89.466%0.6645%0.448SS*.THydrogen-bonded Turntrans-86.710.6170.8-61.9-178.569.200113.6E1121 L1122 A1123 I1127E1121-M1125 PolarHBondContact O-N 3.09Å; E1121-M1125 VanDerWaalsContact O-N 3.15Å; L1122-M1125 CarbonylContact O-C 3.54Å; L1122-M1125 WeakPolarHBondContact O-CA 3.22Å; L1122-M1125 WeakPolarHBondContact O-CB 3.45Å; L1122-M1125 PolarHBondContact O-N 3.23Å; A1123-M1125 PolarHBondContact O-N 3.44Å; M1125-I1127 HydrophobicContact CB-CD1 4.37Å; M1125-I1127 HydrophobicContact CB-CG1 4.46Å; M1125-I1127 PolarHBondContact O-N 2.77Å
1126N93.6Very high91.9Very high157 Ų15790.8 Ų90.884%0.8446%0.457SS*.THydrogen-bonded Turntrans61.623-173.8-60.9-49.7000115L1122 A1123 A1124L1122-N1126 PolarHBondContact O-N 3.35Å; A1123-N1126 WeakPolarHBondContact O-CA 3.16Å; A1123-N1126 PolarHBondContact O-N 3.31Å; A1124-N1126 VanDerWaalsContact C-N 3.29Å
1127I94.4Very high91.9Very high82 Ų8291.1 Ų91.142%0.42147%0.465SS..  trans-96.2115.2173.6-61.5171.1000108.5L1122 A1123 M1125L1122-I1127 CarbonylContact C-O 3.59Å; L1122-I1127 VanDerWaalsContact C-O 3.25Å; L1122-I1127 HydrophobicContact CB-CB 4.12Å; L1122-I1127 HydrophobicContact CB-CG2 4.33Å; L1122-I1127 HydrophobicContact CD1-CG2 4.48Å; L1122-I1127 HydrophobicContact CD2-CB 4.33Å; L1122-I1127 HydrophobicContact CD2-CD1 4.01Å; L1122-I1127 HydrophobicContact CD2-CG2 4.33Å; L1122-I1127 WeakPolarHBondContact O-CA 3.18Å; L1122-I1127 WeakPolarHBondContact O-CB 3.41Å; L1122-I1127 PolarHBondContact O-N 2.92Å; A1123-I1127 PolarHBondContact N-O 3.05Å; M1125-I1127 HydrophobicContact CB-CD1 4.37Å; M1125-I1127 HydrophobicContact CB-CG1 4.46Å; M1125-I1127 PolarHBondContact O-N 2.77Å
1128K89.3Confident91.7Very high148 Ų14891.1 Ų91.164%0.64347%0.471SS*.  trans-87.1119.5178.3-175.9179.2178.6-179.80110.9
1129V91.1Very high91.5Very high37 Ų3789.9 Ų89.922%0.22447%0.47CS..  trans-88.7125.2168.6-176.30000109.3V1119 L1122 L1131V1119-V1129 HydrophobicContact CG1-CB 4.08Å; V1119-V1129 HydrophobicContact CG1-CG2 4.32Å; V1119-V1129 HydrophobicContact CG2-CB 4.1Å; V1119-V1129 HydrophobicContact CG2-CG1 4.11Å; V1119-V1129 HydrophobicContact CG2-CG2 4.12Å; L1122-V1129 HydrophobicContact CB-CG2 4.29Å; L1122-V1129 HydrophobicContact CD1-CG2 3.47Å; L1122-V1129 VanDerWaalsContact CD1-CG2 3.47Å; V1129-L1131 HydrophobicContact CG1-CD2 4.34Å
1130K91.4Very high91.4Very high152 Ų15295.5 Ų95.566%0.66150%0.499SS*.  trans-111.4120.6174.2-170.9-177.2-179.7-172.10109.2
1131L90.4Very high91.3Very high37 Ų3799.6 Ų99.619%0.19451%0.512CS..  trans-91.1125.9174.6-59.8176.3000109.7V1068 G1073 L1075 F1115 V1129 V1133V1068-L1131 HydrophobicContact CG1-CB 4.45Å; V1068-L1131 HydrophobicContact CG1-CD1 4.22Å; V1068-L1131 HydrophobicContact CG2-CD1 4.02Å; G1073-L1131 WeakPolarHBondContact CA-O 3.36Å; G1073-L1131 PolarHBondContact O-N 2.88Å; L1075-L1131 HydrophobicContact CB-CD1 4.19Å; L1075-L1131 HydrophobicContact CD1-CD1 4.26Å; F1115-L1131 HydrophobicContact CE1-CD1 4.38Å; F1115-L1131 HydrophobicContact CE1-CD2 3.95Å; F1115-L1131 HydrophobicContact CZ-CD2 3.92Å; V1129-L1131 HydrophobicContact CG1-CD2 4.34Å; L1131-V1133 HydrophobicContact CB-CG2 4.28Å; L1131-V1133 PolarHBondContact O-N 2.99Å
1132D89.3Confident91Very high133 Ų133100.5 Ų100.571%0.71152%0.519SS*.  trans-87.996.7169.8-168.131.4000108.2K1134D1132-K1134 VanDerWaalsContact OD2-CE 3.27Å; D1132-K1134 WeakPolarHBondContact OD2-CE 3.27Å
1133V85.4Confident90.5Very high36 Ų36106.3 Ų106.322%0.21855%0.549CS..  trans-89118.2-179.2-175.20000107.6V1068 L1109 L1131V1068-V1133 HydrophobicContact CB-CG2 4.39Å; V1068-V1133 HydrophobicContact CG1-CG2 3.7Å; L1109-V1133 HydrophobicContact CD1-CG1 4.36Å; L1131-V1133 HydrophobicContact CB-CG2 4.28Å; L1131-V1133 PolarHBondContact O-N 2.99Å
1134K77.9Confident90.3Very high242 Ų242112.2 Ų112.2100%1.05257%0.568SS**  trans-110.70-178-69.9-174.1179.9179.50112.1D1132D1132-K1134 VanDerWaalsContact OD2-CE 3.27Å; D1132-K1134 WeakPolarHBondContact OD2-CE 3.27Å

Retrieved 1,134 of 1,134 residues in 472.5 ms (Link to these results)

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