A0A087YGE9_POEFO Loading...

Mitogen-activated protein kinase kinase kinase kinase

Serine/threonine kinase that plays a role in the response to environmental stress. Appears to act upstream of the JUN N-terminal pathway.

AlphaFold DB , UniProt , Accession A0A087YGE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 874 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
1M31.1Very low47.8Very low232 Ų232130.1 Ų130.1100%1.14367%0.674SS**  01170-72-178.6-165.400106.2I3M1-I3 PolarHBondContact O-N 3.5Å
2D33.3Very low51.1Low165 Ų165122.3 Ų122.388%0.88263%0.632SS**  trans-67.2116.8179.1-71.5-45.3000109.5Y4D2-Y4 PolarHBondContact O-N 3.1Å
3I41.6Very low53.8Low146 Ų146126.4 Ų126.475%0.74963%0.634SS**SBendtrans-78.3-6.2-172.7-66.2168000112.4M1M1-I3 PolarHBondContact O-N 3.5Å
4Y43.6Very low56.2Low141 Ų141126.4 Ų126.455%0.55362%0.623SS**SBendtrans-111.1119.3179.4-64.5-82.5000110.8D2D2-Y4 PolarHBondContact O-N 3.1Å
5P41.1Very low58.2Low116 Ų116121.3 Ų121.375%0.75360%0.599SS**PPolyproline II helixtrans-58.4143.1164.924.6-29.7000108.7P7P5-P7 VanDerWaalsContact O-N 3.13Å
6R42.1Very low60.1Low242 Ų242113.8 Ų113.891%0.91356%0.562SS**PPolyproline II helixtrans-49.9123.7178.4-71.8-178.9179.6-179.50.2108.7S8R6-S8 PolarHBondContact O-N 2.95Å; R6-S8 VanDerWaalsContact O-N 3.08Å
7P46.7Very low61.8Low70 Ų70113.8 Ų113.846%0.45556%0.56SS.*PPolyproline II helixtrans-59.1120.9177.316.2-23.3000108.3P5 G9P5-P7 VanDerWaalsContact O-N 3.13Å; P7-G9 PolarHBondContact O-N 3.18Å
8S45.5Very low63.3Low75 Ų75114.5 Ų114.552%0.52456%0.562SS.*PPolyproline II helixtrans-52.1127.6173.751.30000108.2R6 E10R6-S8 PolarHBondContact O-N 2.95Å; R6-S8 VanDerWaalsContact O-N 3.08Å; S8-E10 PolarHBondContact O-N 3.35Å
9G52.1Low64.8Low51 Ų51109.1 Ų109.153%0.52654%0.535SS..SBendtrans-680.2-163.600000116.4P7 K70P7-G9 PolarHBondContact O-N 3.18Å; G9-K70 VanDerWaalsContact CA-NZ 3.29Å; G9-K70 PolarHBondContact O-NZ 2.75Å
10E68.4Low66.2Low164 Ų164104.1 Ų104.177%0.76651%0.511SS*.SBendtrans-120.2148.6-169.1-67.3179.7169.700112.1S8 Q12S8-E10 PolarHBondContact O-N 3.35Å; E10-Q12 PolarHBondContact O-N 3.25Å
11I80.5Confident67.5Low29 Ų29104.5 Ų104.515%0.14951%0.512CS..  trans-63117.4171.3-58.6176.3000107.5F59 Q63 I66 L85 L90I11-F59 HydrophobicContact CD1-CE1 4.1Å; I11-F59 HydrophobicContact CD1-CZ 3.55Å; I11-Q63 HydrophobicContact CD1-CG 4.23Å; I11-I66 HydrophobicContact CD1-CD1 3.67Å; I11-I66 HydrophobicContact CG1-CD1 4.11Å; I11-L85 HydrophobicContact CG2-CB 3.65Å; I11-L90 HydrophobicContact CG2-CD1 4.14Å
12Q86.9Confident70.4Confident36 Ų3696.3 Ų96.317%0.16847%0.472CS..BIsolated β-bridgetrans-74.6135.8-173.2-59.1-176.546.400110.5E10 R14 S83 Y84 L85E10-Q12 PolarHBondContact O-N 3.25Å; Q12-R14 HydrophobicContact CB-CG 4.34Å; Q12-S83 PolarHBondContact N-O 3.19Å; Q12-Y84 HydrophobicContact CB-CD1 3.63Å; Q12-Y84 HydrophobicContact CB-CE1 3.92Å; Q12-Y84 HydrophobicContact CB-CG 4.37Å; Q12-Y84 HydrophobicContact CG-CD1 4.41Å; Q12-Y84 HydrophobicContact CG-CE1 4.26Å; Q12-Y84 CarbonylContact O-C 3.6Å; Q12-Y84 WeakPolarHBondContact O-CA 3.29Å; Q12-Y84 VanDerWaalsContact OE1-CE1 3.3Å; Q12-L85 PolarHBondContact O-N 3.02Å
13R86.6Confident73Confident176 Ų17692.1 Ų92.166%0.66445%0.449SS*.  trans-92.11.5178.7-64-68-174.9158.4-0.5113.8
14R86.9Confident75.1Confident126 Ų12690 Ų9048%0.47544%0.436SS..SBendtrans-80.7164178.973.6-176.3-170.6-162-4.2111.8Q12 P16 D19 Y84Q12-R14 HydrophobicContact CB-CG 4.34Å; R14-P16 VanDerWaalsContact O-CD 3.32Å; R14-P16 WeakPolarHBondContact O-CD 3.43Å; R14-D19 IonicContact CZ-OD1 3.61Å; R14-D19 IonicContact CZ-OD2 3.58Å; R14-D19 IonicContact NE-OD2 2.87Å; R14-D19 PolarHBondContact NE-OD2 2.74Å; R14-D19 VanDerWaalsContact NH2-CG 3.26Å; R14-D19 IonicContact NH2-OD1 3.39Å; R14-D19 PolarHBondContact NH2-OD1 2.62Å; R14-D19 VanDerWaalsContact NH2-OD1 3.15Å; R14-D19 IonicContact NH2-OD2 3.73Å; R14-D19 PolarHBondContact NH2-OD2 3.1Å; R14-Y84 HydrophobicContact CG-CD1 4.1Å; R14-Y84 HydrophobicContact CG-CE1 4.13Å
15N86.4Confident77Confident50 Ų5090.4 Ų90.427%0.26744%0.437SS..  trans-66.9117.9177.7-173.8-3.5000110.5Q17 H18N15-Q17 PolarHBondContact O-N 2.74Å; N15-Q17 WeakPolarHBondContact OD1-CB 3.5Å; N15-Q17 PolarHBondContact OD1-N 3.4Å; N15-Q17 VanDerWaalsContact OD1-N 3.09Å; N15-H18 PolarHBondContact O-N 3.42Å
16P89.4Confident78.8Confident1 Ų187.9 Ų87.91%0.00642%0.419CS..G310 helixtrans-63.6-22179.523-32.7000113.9R14 H18 D19 F20 Y84 W91R14-P16 VanDerWaalsContact O-CD 3.32Å; R14-P16 WeakPolarHBondContact O-CD 3.43Å; P16-H18 PolarHBondContact O-N 3.03Å; P16-H18 VanDerWaalsContact O-N 3.15Å; P16-D19 PolarHBondContact O-N 3.48Å; P16-F20 PolarHBondContact O-N 3.13Å; P16-Y84 HydrophobicContact CB-CD1 4.1Å; P16-Y84 HydrophobicContact CB-CD2 3.85Å; P16-Y84 HydrophobicContact CB-CE2 4.48Å; P16-Y84 HydrophobicContact CB-CG 3.66Å; P16-Y84 HydrophobicContact CG-CG 4.46Å; P16-W91 HydrophobicContact CB-CB 4.47Å; P16-W91 HydrophobicContact CB-CD2 3.73Å; P16-W91 HydrophobicContact CB-CE3 3.45Å; P16-W91 VanDerWaalsContact CB-CE3 3.45Å; P16-W91 HydrophobicContact CB-CG 4.16Å; P16-W91 HydrophobicContact CB-CZ3 3.9Å; P16-W91 HydrophobicContact CG-CB 4.47Å; P16-W91 HydrophobicContact CG-CD2 3.32Å; P16-W91 VanDerWaalsContact CG-CE2 3.49Å; P16-W91 HydrophobicContact CG-CE3 3.51Å; P16-W91 HydrophobicContact CG-CG 3.74Å; P16-W91 HydrophobicContact CG-CH2 4.07Å; P16-W91 HydrophobicContact CG-CZ2 3.89Å; P16-W91 HydrophobicContact CG-CZ3 3.89Å
17Q88.6Confident80.1Confident114 Ų11477.7 Ų77.753%0.53339%0.389SS..G310 helixtrans-66.7-12.3178.7-65.5-178.8-44.200113.7N15 D19 F20 I40 W91N15-Q17 PolarHBondContact O-N 2.74Å; N15-Q17 WeakPolarHBondContact OD1-CB 3.5Å; N15-Q17 PolarHBondContact OD1-N 3.4Å; N15-Q17 VanDerWaalsContact OD1-N 3.09Å; Q17-D19 VanDerWaalsContact C-N 3.33Å; Q17-F20 WeakPolarHBondContact CA-O 3.26Å; Q17-I40 VanDerWaalsContact O-CD1 3.28Å; Q17-I40 WeakPolarHBondContact O-CD1 3.43Å; Q17-W91 HydrophobicContact CG-CH2 4.09Å
18H89.4Confident81.1Confident127 Ų12778.7 Ų78.759%0.58840%0.398SS*.G310 helixtrans-76.9-23.4172.1-62174.2000112.5N15 P16N15-H18 PolarHBondContact O-N 3.42Å; P16-H18 PolarHBondContact O-N 3.03Å; P16-H18 VanDerWaalsContact O-N 3.15Å
19D90.8Very high81.6Confident11 Ų1177.2 Ų77.26%0.05940%0.395CS..THydrogen-bonded Turntrans-107.5-30.3-176.9-62.1-47.8000111.9R14 P16 Q17 N39 I40 Y84R14-D19 IonicContact CZ-OD1 3.61Å; R14-D19 IonicContact CZ-OD2 3.58Å; R14-D19 IonicContact NE-OD2 2.87Å; R14-D19 PolarHBondContact NE-OD2 2.74Å; R14-D19 VanDerWaalsContact NH2-CG 3.26Å; R14-D19 IonicContact NH2-OD1 3.39Å; R14-D19 PolarHBondContact NH2-OD1 2.62Å; R14-D19 VanDerWaalsContact NH2-OD1 3.15Å; R14-D19 IonicContact NH2-OD2 3.73Å; R14-D19 PolarHBondContact NH2-OD2 3.1Å; P16-D19 PolarHBondContact O-N 3.48Å; Q17-D19 VanDerWaalsContact C-N 3.33Å; D19-N39 WeakPolarHBondContact O-CA 3.48Å; D19-I40 PolarHBondContact O-N 3.42Å; D19-Y84 VanDerWaalsContact OD2-CE1 3.26Å; D19-Y84 WeakPolarHBondContact OD2-CE1 3.48Å; D19-Y84 PolarHBondContact OD2-OH 3.3Å; D19-Y84 VanDerWaalsContact OD2-OH 3.04Å
20F93.4Very high81.6Confident10 Ų1081 Ų814%0.04441%0.407CS..EExtended strand (participates in β ladder)trans-132131-176.5-65.2-84.1000112.8P16 Q17 A37 R38 N39 A46 Y84 C93P16-F20 PolarHBondContact O-N 3.13Å; Q17-F20 WeakPolarHBondContact CA-O 3.26Å; F20-A37 HydrophobicContact CB-CB 4.36Å; F20-A37 HydrophobicContact CD1-CB 4.45Å; F20-R38 CarbonylContact C-O 3.59Å; F20-R38 WeakPolarHBondContact CA-O 3.25Å; F20-N39 HydrophobicContact CD1-CB 4.18Å; F20-N39 HydrophobicContact CE1-CB 3.92Å; F20-A46 HydrophobicContact CD1-CB 4.09Å; F20-A46 HydrophobicContact CE1-CB 3.7Å; F20-Y84 HydrophobicContact CD2-CE2 4.18Å; F20-Y84 AromaticContact CE2-CE2 3.91Å; F20-Y84 HydrophobicContact CE2-CE2 3.91Å; F20-C93 HydrophobicContact CE2-CB 3.95Å; F20-C93 HydrophobicContact CZ-CB 3.89Å
21E93.4Very high81.1Confident113 Ų11376.8 Ų76.853%0.52839%0.385SS..EExtended strand (participates in β ladder)trans-95.4121.7169.4-178.4-175.9-16000109.6A37 R38 I40E21-A37 CarbonylContact O-C 3.6Å; E21-A37 WeakPolarHBondContact O-CA 3.49Å; E21-A37 WeakPolarHBondContact O-CB 3.21Å; E21-R38 PolarHBondContact N-O 3.21Å; E21-R38 PolarHBondContact O-N 3.26Å; E21-I40 HydrophobicContact CB-CD1 4.45Å; E21-I40 HydrophobicContact CB-CG1 4.16Å
22L91.6Very high80.6Confident59 Ų5976.2 Ų76.231%0.30939%0.387SS..EExtended strand (participates in β ladder)trans-77.4128.4175.6-58.7176.9000110.1Y35 A37 V48 I50 W91L22-Y35 HydrophobicContact CD1-CG 4.46Å; L22-Y35 HydrophobicContact CD2-CG 4.2Å; L22-A37 HydrophobicContact CD2-CB 4.1Å; L22-V48 HydrophobicContact CD2-CB 4.06Å; L22-V48 HydrophobicContact CD2-CG1 4.13Å; L22-V48 HydrophobicContact CD2-CG2 4.39Å; L22-I50 HydrophobicContact CD1-CD1 3.94Å; L22-W91 HydrophobicContact CD1-CH2 3.54Å; L22-W91 HydrophobicContact CD1-CZ2 4.36Å; L22-W91 HydrophobicContact CD1-CZ3 4.04Å; L22-W91 HydrophobicContact CD2-CH2 4.14Å; L22-W91 HydrophobicContact CD2-CZ3 3.75Å; L22-W91 HydrophobicContact CG-CH2 3.94Å; L22-W91 HydrophobicContact CG-CZ3 3.99Å
23I88.5Confident80.3Confident77 Ų7776.7 Ų76.740%0.39539%0.39SS..EExtended strand (participates in β ladder)trans-98.9-61-178-56.1177.9000110.6K36 R38 L45I23-K36 WeakPolarHBondContact CB-O 2.94Å; I23-K36 HydrophobicContact CD1-CG 4.33Å; I23-K36 PolarHBondContact N-O 2.55Å; I23-R38 HydrophobicContact CD1-CB 4.16Å; I23-L45 HydrophobicContact CD1-CD2 3.98Å
24Q84.6Confident80.2Confident103 Ų10369.7 Ų69.748%0.48137%0.367SS..EExtended strand (participates in β ladder)trans-150.5150-175.769179.536.800110.8V26 Y35 K36Q24-V26 HydrophobicContact CG-CG1 4Å; Q24-Y35 CarbonylContact O-C 3.51Å; Q24-Y35 WeakPolarHBondContact O-CA 3.29Å; Q24-K36 HydrophobicContact CG-CB 3.94Å; Q24-K36 HydrophobicContact CG-CD 4.27Å; Q24-K36 PolarHBondContact N-O 3.25Å; Q24-K36 PolarHBondContact O-N 3.17Å
25R84.8Confident80.3Confident149 Ų14966.4 Ų66.456%0.56236%0.355SS*.EExtended strand (participates in β ladder)trans-72.1130.9169.6-168.717262.7166.6-2109.4D33 Y35R25-D33 VanDerWaalsContact CD-OD1 3.3Å; R25-D33 WeakPolarHBondContact CD-OD1 3.45Å; R25-D33 HydrophobicContact CG-CB 4.44Å; R25-D33 IonicContact CZ-OD1 3.96Å; R25-D33 IonicContact NH1-OD1 2.74Å; R25-D33 PolarHBondContact NH1-OD1 2.57Å; R25-Y35 HydrophobicContact CB-CD1 3.91Å; R25-Y35 HydrophobicContact CB-CE1 3.67Å; R25-Y35 HydrophobicContact CG-CD1 4.41Å; R25-Y35 HydrophobicContact CG-CE1 4.09Å
26V78.6Confident80.5Confident62 Ų6266.2 Ų66.238%0.37635%0.352SS..EExtended strand (participates in β ladder)trans-116.1-15.6-178.9-660000113.5Q24 V34 K36 Y96Q24-V26 HydrophobicContact CG-CG1 4Å; V26-V34 HydrophobicContact CG2-CB 4.21Å; V26-V34 HydrophobicContact CG2-CG1 3.83Å; V26-V34 WeakPolarHBondContact CG2-O 3.26Å; V26-V34 PolarHBondContact N-O 3.15Å; V26-K36 HydrophobicContact CG1-CB 3.69Å; V26-Y96 HydrophobicContact CG1-CE2 4.4Å
27G70.1Confident80.7Confident29 Ų2966.2 Ų66.230%0.29935%0.351SS..EExtended strand (participates in β ladder)trans-161.4160175.600000112.1V34G27-V34 PolarHBondContact N-O 2.71Å; G27-V34 VanDerWaalsContact N-O 3.17Å; G27-V34 PolarHBondContact O-N 3.02Å
28S65.9Low80.9Confident90 Ų9065.7 Ų65.763%0.62935%0.345SS*.EExtended strand (participates in β ladder)trans-134.3116.7172.9178.40000107.6
29G57.6Low81.1Confident45 Ų4561.1 Ų61.146%0.46433%0.325SS..EExtended strand (participates in β ladder)trans-108.8176.5177.700000112.2Y31 G32G29-Y31 PolarHBondContact O-N 2.84Å; G29-G32 PolarHBondContact N-O 3.25Å; G29-G32 PolarHBondContact O-N 2.91Å
30T51.4Low81.1Confident129 Ų12965 Ų6579%0.79135%0.345SS*.THydrogen-bonded Turntrans-56.6-23.2179.6-450000114.1
31Y58.5Low81Confident77 Ų7771.9 Ų71.930%0.30238%0.377SS..THydrogen-bonded Turntrans-115.4-5.8-171.9-51.9-78.9000113.6G29 I51 A162 I165 T166G29-Y31 PolarHBondContact O-N 2.84Å; Y31-I51 WeakPolarHBondContact O-CG2 3.5Å; Y31-A162 HydrophobicContact CD2-CB 4.38Å; Y31-A162 HydrophobicContact CE2-CB 3.32Å; Y31-A162 VanDerWaalsContact OH-CA 3.3Å; Y31-A162 WeakPolarHBondContact OH-CA 3.05Å; Y31-A162 VanDerWaalsContact OH-CB 3.22Å; Y31-A162 WeakPolarHBondContact OH-CB 3.38Å; Y31-A162 PolarHBondContact OH-O 3.25Å; Y31-I165 HydrophobicContact CE1-CG2 4.08Å; Y31-T166 PolarHBondContact OH-OG1 3.45Å; Y31-T166 VanDerWaalsContact OH-OG1 3.14Å
32G70.4Confident80.9Confident17 Ų1770.3 Ų70.318%0.17538%0.375CS..EExtended strand (participates in β ladder)trans159.2173.4-175.800000114.8G29 I50G29-G32 PolarHBondContact N-O 3.25Å; G29-G32 PolarHBondContact O-N 2.91Å; G32-I50 VanDerWaalsContact CA-O 3.27Å; G32-I50 WeakPolarHBondContact CA-O 3.45Å
33D80Confident80.8Confident45 Ų4569.1 Ų69.124%0.24138%0.377CS..EExtended strand (participates in β ladder)trans-89.7146.2179.6-68.4-55000110.9R25 Y35 I50R25-D33 VanDerWaalsContact CD-OD1 3.3Å; R25-D33 WeakPolarHBondContact CD-OD1 3.45Å; R25-D33 HydrophobicContact CG-CB 4.44Å; R25-D33 IonicContact CZ-OD1 3.96Å; R25-D33 IonicContact NH1-OD1 2.74Å; R25-D33 PolarHBondContact NH1-OD1 2.57Å; D33-Y35 HydrophobicContact CB-CD2 4.17Å; D33-Y35 HydrophobicContact CB-CE2 3.37Å; D33-Y35 PolarHBondContact OD2-OH 2.93Å; D33-I50 PolarHBondContact N-O 3.49Å; D33-I50 PolarHBondContact O-N 2.88Å
34V85.1Confident81Confident30 Ų3070 Ų7018%0.18238%0.379CS..EExtended strand (participates in β ladder)trans-110.4129.3172.3-173.40000109V26 G27 A47 V48 K49V26-V34 HydrophobicContact CG2-CB 4.21Å; V26-V34 HydrophobicContact CG2-CG1 3.83Å; V26-V34 WeakPolarHBondContact CG2-O 3.26Å; V26-V34 PolarHBondContact N-O 3.15Å; G27-V34 PolarHBondContact N-O 2.71Å; G27-V34 VanDerWaalsContact N-O 3.17Å; G27-V34 PolarHBondContact O-N 3.02Å; V34-A47 HydrophobicContact CG1-CB 4.32Å; V34-V48 WeakPolarHBondContact CA-O 3.38Å; V34-K49 HydrophobicContact CG2-CB 4.21Å; V34-K49 HydrophobicContact CG2-CD 4.45Å; V34-K49 HydrophobicContact CG2-CG 4.03Å
35Y87.3Confident81.3Confident57 Ų5768 Ų6822%0.22437%0.372CS..EExtended strand (participates in β ladder)trans-116.2140.2-179.9-66.8-95000110.9L22 Q24 R25 D33 A47 V48 I50L22-Y35 HydrophobicContact CD1-CG 4.46Å; L22-Y35 HydrophobicContact CD2-CG 4.2Å; Q24-Y35 CarbonylContact O-C 3.51Å; Q24-Y35 WeakPolarHBondContact O-CA 3.29Å; R25-Y35 HydrophobicContact CB-CD1 3.91Å; R25-Y35 HydrophobicContact CB-CE1 3.67Å; R25-Y35 HydrophobicContact CG-CD1 4.41Å; R25-Y35 HydrophobicContact CG-CE1 4.09Å; D33-Y35 HydrophobicContact CB-CD2 4.17Å; D33-Y35 HydrophobicContact CB-CE2 3.37Å; D33-Y35 PolarHBondContact OD2-OH 2.93Å; Y35-A47 CarbonylContact O-C 3.53Å; Y35-A47 WeakPolarHBondContact O-CA 3.5Å; Y35-V48 PolarHBondContact N-O 3.12Å; Y35-V48 PolarHBondContact O-N 3.2Å; Y35-I50 HydrophobicContact CD2-CD1 3.69Å; Y35-I50 HydrophobicContact CD2-CG1 4.1Å; Y35-I50 HydrophobicContact CE2-CD1 3.79Å; Y35-I50 HydrophobicContact CE2-CG1 4.35Å
36K90.6Very high81.8Confident46 Ų4661 Ų6120%0.235%0.345CS..EExtended strand (participates in β ladder)trans-70.3129.5158.4-177.5-179.7-171.6164.70107.6I23 Q24 V26 L45 Y96I23-K36 WeakPolarHBondContact CB-O 2.94Å; I23-K36 HydrophobicContact CD1-CG 4.33Å; I23-K36 PolarHBondContact N-O 2.55Å; Q24-K36 HydrophobicContact CG-CB 3.94Å; Q24-K36 HydrophobicContact CG-CD 4.27Å; Q24-K36 PolarHBondContact N-O 3.25Å; Q24-K36 PolarHBondContact O-N 3.17Å; V26-K36 HydrophobicContact CG1-CB 3.69Å; K36-L45 HydrophobicContact CG-CD2 4.47Å; K36-Y96 HydrophobicContact CB-CD2 4.49Å; K36-Y96 HydrophobicContact CB-CE2 3.99Å; K36-Y96 HydrophobicContact CD-CE1 4.19Å; K36-Y96 HydrophobicContact CD-CE2 4.14Å; K36-Y96 HydrophobicContact CG-CD2 4.23Å; K36-Y96 HydrophobicContact CG-CE1 4.42Å; K36-Y96 HydrophobicContact CG-CE2 3.85Å
37A93.8Very high82.4Confident0 Ų058.5 Ų58.50%033%0.331CS..EExtended strand (participates in β ladder)trans-131.1162.1179.800000110.7F20 E21 L22 L45 A46 V48F20-A37 HydrophobicContact CB-CB 4.36Å; F20-A37 HydrophobicContact CD1-CB 4.45Å; E21-A37 CarbonylContact O-C 3.6Å; E21-A37 WeakPolarHBondContact O-CA 3.49Å; E21-A37 WeakPolarHBondContact O-CB 3.21Å; L22-A37 HydrophobicContact CD2-CB 4.1Å; A37-L45 WeakPolarHBondContact O-CA 3.03Å; A37-A46 PolarHBondContact N-O 2.77Å; A37-A46 PolarHBondContact O-N 3.4Å; A37-V48 HydrophobicContact CB-CB 4.32Å; A37-V48 HydrophobicContact CB-CG2 3.47Å; A37-V48 VanDerWaalsContact CB-CG2 3.47Å
38R93.4Very high83.4Confident103 Ų10357.1 Ų57.139%0.38932%0.317SS..EExtended strand (participates in β ladder)trans-115.6131.3170.5-169.4178.8-62.7-84.85109.1F20 E21 I23 I40 G43 E44F20-R38 CarbonylContact C-O 3.59Å; F20-R38 WeakPolarHBondContact CA-O 3.25Å; E21-R38 PolarHBondContact N-O 3.21Å; E21-R38 PolarHBondContact O-N 3.26Å; I23-R38 HydrophobicContact CD1-CB 4.16Å; R38-I40 PolarHBondContact O-N 2.97Å; R38-G43 WeakPolarHBondContact CG-O 3.09Å; R38-G43 PolarHBondContact NH1-O 2.83Å; R38-E44 WeakPolarHBondContact CA-O 3.2Å
39N92.7Very high84.4Confident32 Ų3253.7 Ų53.717%0.17129%0.291CS..EExtended strand (participates in β ladder)trans-68.3125.4167.8-175.7-60.8000108.9D19 F20 Q41 T42 G43 E44D19-N39 WeakPolarHBondContact O-CA 3.48Å; F20-N39 HydrophobicContact CD1-CB 4.18Å; F20-N39 HydrophobicContact CE1-CB 3.92Å; N39-Q41 VanDerWaalsContact C-N 3.3Å; N39-Q41 PolarHBondContact O-N 2.96Å; N39-Q41 WeakPolarHBondContact OD1-CA 3.33Å; N39-Q41 WeakPolarHBondContact OD1-CB 3.24Å; N39-Q41 PolarHBondContact OD1-N 2.82Å; N39-T42 WeakPolarHBondContact CB-OG1 3.13Å; N39-T42 PolarHBondContact OD1-N 3.42Å; N39-G43 VanDerWaalsContact O-CA 3.22Å; N39-G43 WeakPolarHBondContact O-CA 3.4Å; N39-G43 PolarHBondContact O-N 3.48Å; N39-E44 PolarHBondContact N-O 3.41Å
40I92.5Very high85.8Confident93 Ų9352.6 Ų52.648%0.47727%0.274SS..THydrogen-bonded Turntrans-69.3-31.2-173.2-62.1173.6000111.3Q17 D19 E21 R38Q17-I40 VanDerWaalsContact O-CD1 3.28Å; Q17-I40 WeakPolarHBondContact O-CD1 3.43Å; D19-I40 PolarHBondContact O-N 3.42Å; E21-I40 HydrophobicContact CB-CD1 4.45Å; E21-I40 HydrophobicContact CB-CG1 4.16Å; R38-I40 PolarHBondContact O-N 2.97Å
41Q91Very high87.2Confident153 Ų15347 Ų4772%0.71524%0.24SC*.THydrogen-bonded Turntrans-82.2-44.5-178.3-60.917912.100112.3N39N39-Q41 VanDerWaalsContact C-N 3.3Å; N39-Q41 PolarHBondContact O-N 2.96Å; N39-Q41 WeakPolarHBondContact OD1-CA 3.33Å; N39-Q41 WeakPolarHBondContact OD1-CB 3.24Å; N39-Q41 PolarHBondContact OD1-N 2.82Å
42T91.4Very high88.3Confident81 Ų8150.1 Ų50.150%0.49726%0.255SS..THydrogen-bonded Turntrans-95.6-19.1-174.469.10000113.4N39 E44N39-T42 WeakPolarHBondContact CB-OG1 3.13Å; N39-T42 PolarHBondContact OD1-N 3.42Å; T42-E44 PolarHBondContact O-N 2.87Å; T42-E44 WeakPolarHBondContact OG1-CB 2.82Å; T42-E44 PolarHBondContact OG1-N 2.91Å
43G89.9Confident88.6Confident33 Ų3350.4 Ų50.434%0.3425%0.252SS..  trans74-3.5-173.300000114.6R38 N39R38-G43 WeakPolarHBondContact CG-O 3.09Å; R38-G43 PolarHBondContact NH1-O 2.83Å; N39-G43 VanDerWaalsContact O-CA 3.22Å; N39-G43 WeakPolarHBondContact O-CA 3.4Å; N39-G43 PolarHBondContact O-N 3.48Å
44E90.9Very high88.3Confident96 Ų9654.4 Ų54.445%0.44927%0.269SS..  trans-71.4151.4-178.9-65.7-177.7149.300112.1R38 N39 T42R38-E44 WeakPolarHBondContact CA-O 3.2Å; N39-E44 PolarHBondContact N-O 3.41Å; T42-E44 PolarHBondContact O-N 2.87Å; T42-E44 WeakPolarHBondContact OG1-CB 2.82Å; T42-E44 PolarHBondContact OG1-N 2.91Å
45L92.6Very high87.5Confident62 Ų6258.8 Ų58.833%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-81.6140.8177.8-65.7175.7000111.3I23 K36 A37 Y96I23-L45 HydrophobicContact CD1-CD2 3.98Å; K36-L45 HydrophobicContact CG-CD2 4.47Å; A37-L45 WeakPolarHBondContact O-CA 3.03Å; L45-Y96 HydrophobicContact CB-CD1 3.98Å; L45-Y96 HydrophobicContact CB-CG 4.28Å; L45-Y96 HydrophobicContact CD1-CD1 4.05Å; L45-Y96 HydrophobicContact CD1-CE1 4.22Å
46A93.6Very high86.5Confident1 Ų160 Ų601%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-134.9156.5175.200000110.8F20 A37 F81 M94F20-A46 HydrophobicContact CD1-CB 4.09Å; F20-A46 HydrophobicContact CE1-CB 3.7Å; A37-A46 PolarHBondContact N-O 2.77Å; A37-A46 PolarHBondContact O-N 3.4Å; A46-F81 HydrophobicContact CB-CD2 4.07Å; A46-F81 HydrophobicContact CB-CE2 4.08Å; A46-M94 WeakPolarHBondContact CA-O 2.87Å
47A91.3Very high85.4Confident10 Ų1060 Ų608%0.08333%0.33CS..EExtended strand (participates in β ladder)trans-97.5131.9164.100000108.8V34 Y35 C93 M94 Y96V34-A47 HydrophobicContact CG1-CB 4.32Å; Y35-A47 CarbonylContact O-C 3.53Å; Y35-A47 WeakPolarHBondContact O-CA 3.5Å; A47-C93 WeakPolarHBondContact O-CA 3.41Å; A47-M94 HydrophobicContact CB-CG 3.78Å; A47-M94 PolarHBondContact N-O 2.92Å; A47-M94 PolarHBondContact O-N 2.99Å; A47-Y96 HydrophobicContact CB-CD2 4.29Å
48V90.8Very high84.1Confident0 Ų063.4 Ų63.40%035%0.348CS..EExtended strand (participates in β ladder)trans-120.9109179.8177.40000108.6L22 V34 Y35 A37 I50 W91 I92L22-V48 HydrophobicContact CD2-CB 4.06Å; L22-V48 HydrophobicContact CD2-CG1 4.13Å; L22-V48 HydrophobicContact CD2-CG2 4.39Å; V34-V48 WeakPolarHBondContact CA-O 3.38Å; Y35-V48 PolarHBondContact N-O 3.12Å; Y35-V48 PolarHBondContact O-N 3.2Å; A37-V48 HydrophobicContact CB-CB 4.32Å; A37-V48 HydrophobicContact CB-CG2 3.47Å; A37-V48 VanDerWaalsContact CB-CG2 3.47Å; V48-I50 HydrophobicContact CG1-CD1 4.45Å; V48-I50 HydrophobicContact CG1-CG1 3.94Å; V48-W91 HydrophobicContact CG1-CB 4.31Å; V48-W91 HydrophobicContact CG1-CD2 3.99Å; V48-W91 HydrophobicContact CG1-CE3 3.33Å; V48-W91 HydrophobicContact CG1-CG 4.45Å; V48-W91 HydrophobicContact CG1-CZ3 3.94Å; V48-I92 WeakPolarHBondContact CA-O 3.44Å
49K86.9Confident83Confident17 Ų1760.9 Ų60.97%0.07434%0.34CS..EExtended strand (participates in β ladder)trans-88.5119.9174.1-174.1172.9-170.2175.90109V34 I51 W91 I92 M94 D158V34-K49 HydrophobicContact CG2-CB 4.21Å; V34-K49 HydrophobicContact CG2-CD 4.45Å; V34-K49 HydrophobicContact CG2-CG 4.03Å; K49-I51 HydrophobicContact CG-CG1 4.28Å; K49-W91 CarbonylContact O-C 3.55Å; K49-W91 WeakPolarHBondContact O-CA 3.3Å; K49-I92 HydrophobicContact CB-CB 4.36Å; K49-I92 PolarHBondContact N-O 3.17Å; K49-I92 PolarHBondContact O-N 3.37Å; K49-M94 HydrophobicContact CB-CE 3.93Å; K49-M94 HydrophobicContact CD-CE 4.48Å; K49-D158 IonicContact NZ-OD1 2.69Å; K49-D158 PolarHBondContact NZ-OD1 2.9Å; K49-D158 IonicContact NZ-OD2 3.61Å
50I86.9Confident81.6Confident22 Ų2262 Ų6211%0.11335%0.351CS..EExtended strand (participates in β ladder)trans-108.2111.4-178.4-54.9-179.5000108.6L22 G32 D33 Y35 V48 K89 L90 W91L22-I50 HydrophobicContact CD1-CD1 3.94Å; G32-I50 VanDerWaalsContact CA-O 3.27Å; G32-I50 WeakPolarHBondContact CA-O 3.45Å; D33-I50 PolarHBondContact N-O 3.49Å; D33-I50 PolarHBondContact O-N 2.88Å; Y35-I50 HydrophobicContact CD2-CD1 3.69Å; Y35-I50 HydrophobicContact CD2-CG1 4.1Å; Y35-I50 HydrophobicContact CE2-CD1 3.79Å; Y35-I50 HydrophobicContact CE2-CG1 4.35Å; V48-I50 HydrophobicContact CG1-CD1 4.45Å; V48-I50 HydrophobicContact CG1-CG1 3.94Å; I50-K89 HydrophobicContact CG2-CB 4.17Å; I50-K89 HydrophobicContact CG2-CD 4.08Å; I50-K89 HydrophobicContact CG2-CG 4.45Å; I50-L90 CarbonylContact C-O 3.51Å; I50-L90 WeakPolarHBondContact CA-O 3.46Å; I50-W91 HydrophobicContact CD1-CD2 4.07Å; I50-W91 HydrophobicContact CD1-CE3 4.34Å; I50-W91 HydrophobicContact CD1-CH2 3.96Å; I50-W91 HydrophobicContact CD1-CZ2 3.66Å; I50-W91 HydrophobicContact CD1-CZ3 4.28Å; I50-W91 HydrophobicContact CG1-CD2 3.99Å; I50-W91 HydrophobicContact CG1-CE3 4.44Å; I50-W91 HydrophobicContact CG1-CG 4.27Å; I50-W91 HydrophobicContact CG1-CZ2 4.45Å
51I82Confident80.1Confident13 Ų1358.4 Ų58.47%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-104125.5178.9-60.1170.6000107.7Y31 K49 L53 K89 L90 I92Y31-I51 WeakPolarHBondContact O-CG2 3.5Å; K49-I51 HydrophobicContact CG-CG1 4.28Å; I51-L53 HydrophobicContact CG2-CD2 4.18Å; I51-K89 CarbonylContact O-C 3.58Å; I51-K89 WeakPolarHBondContact O-CA 3.35Å; I51-L90 HydrophobicContact CB-CB 4.34Å; I51-L90 HydrophobicContact CD1-CD2 4.44Å; I51-L90 PolarHBondContact N-O 3.07Å; I51-L90 PolarHBondContact O-N 2.9Å; I51-I92 HydrophobicContact CD1-CD1 3.95Å
52K80.8Confident78.9Confident142 Ų14251.4 Ų51.462%0.61730%0.3SS*.EExtended strand (participates in β ladder)trans-85126.5171.8-171.5-174.7177.2-165.10108.1
53L76.7Confident77.8Confident22 Ų2252.6 Ų52.612%0.11530%0.3CS..PPolyproline II helixtrans-94.8137.1176.7-56.8175.5000109.2I51 F59 I62 L85 E88 L90I51-L53 HydrophobicContact CG2-CD2 4.18Å; L53-F59 HydrophobicContact CD1-CD2 3.87Å; L53-F59 HydrophobicContact CD1-CE2 4.01Å; L53-I62 HydrophobicContact CD2-CD1 3.31Å; L53-L85 HydrophobicContact CD1-CD1 3.68Å; L53-E88 WeakPolarHBondContact CB-O 3.47Å; L53-E88 PolarHBondContact N-O 2.71Å; L53-L90 HydrophobicContact CD1-CB 4.42Å
54E75.3Confident76.4Confident129 Ų12956 Ų5660%0.60331%0.307SS*.PPolyproline II helixtrans-100151.6173.3-63.9-165.316300111.6G56 D57E54-G56 PolarHBondContact O-N 2.91Å; E54-G56 VanDerWaalsContact O-N 3.1Å; E54-D57 PolarHBondContact N-OD2 2.97Å; E54-D57 WeakPolarHBondContact O-CB 3.19Å; E54-D57 PolarHBondContact O-N 3.47Å
55P68.3Low75.1Confident123 Ų12352.4 Ų52.480%0.79929%0.29SS*.THydrogen-bonded Turntrans-59115.7172.8-21.933.1000111
56G65.9Low74Confident82 Ų8249.9 Ų49.985%0.84528%0.277SS*.THydrogen-bonded Turntrans109.1-6.9-176.500000114.7E54 D58E54-G56 PolarHBondContact O-N 2.91Å; E54-G56 VanDerWaalsContact O-N 3.1Å; G56-D58 PolarHBondContact O-N 2.78Å
57D67.6Low72.8Confident47 Ų4755.2 Ų55.225%0.25130%0.3SS..  trans-64133170.6-75.3-17.4000111.1E54 F59 I169E54-D57 PolarHBondContact N-OD2 2.97Å; E54-D57 WeakPolarHBondContact O-CB 3.19Å; E54-D57 PolarHBondContact O-N 3.47Å; D57-F59 VanDerWaalsContact C-N 3.34Å; D57-F59 PolarHBondContact O-N 2.97Å; D57-I169 WeakPolarHBondContact OD1-CD1 3.4Å
58D66.2Low71.6Confident70 Ų7057 Ų5737%0.37431%0.307SS..  trans-75.788.1175.2-173.5-4.2000110.4G56 S60 I61G56-D58 PolarHBondContact O-N 2.78Å; D58-S60 VanDerWaalsContact CG-OG 3.29Å; D58-S60 PolarHBondContact O-N 3.21Å; D58-S60 VanDerWaalsContact O-N 3.09Å; D58-S60 VanDerWaalsContact OD1-CB 3.24Å; D58-S60 WeakPolarHBondContact OD1-CB 3.35Å; D58-S60 PolarHBondContact OD1-N 2.9Å; D58-S60 VanDerWaalsContact OD1-N 3.08Å; D58-S60 PolarHBondContact OD1-OG 3.05Å; D58-S60 PolarHBondContact OD2-OG 3.34Å; D58-I61 HydrophobicContact CB-CD1 3.85Å; D58-I61 HydrophobicContact CB-CG1 4.11Å; D58-I61 PolarHBondContact O-N 3.19Å; D58-I61 VanDerWaalsContact O-N 3.11Å
59F69.6Low70.5Confident50 Ų5058 Ų5822%0.21931%0.313CS..Hα-helixtrans-56.4-25179.1-173.7-108000113.2I11 L53 D57 I61 I62 Q63 L85I11-F59 HydrophobicContact CD1-CE1 4.1Å; I11-F59 HydrophobicContact CD1-CZ 3.55Å; L53-F59 HydrophobicContact CD1-CD2 3.87Å; L53-F59 HydrophobicContact CD1-CE2 4.01Å; D57-F59 VanDerWaalsContact C-N 3.34Å; D57-F59 PolarHBondContact O-N 2.97Å; F59-I61 PolarHBondContact O-N 2.84Å; F59-I62 PolarHBondContact O-N 2.71Å; F59-Q63 HydrophobicContact CE1-CB 4.49Å; F59-Q63 WeakPolarHBondContact O-CB 3.48Å; F59-Q63 PolarHBondContact O-N 2.86Å; F59-L85 HydrophobicContact CD2-CD2 4.46Å; F59-L85 HydrophobicContact CE1-CD2 4.3Å; F59-L85 HydrophobicContact CE2-CD2 3.61Å; F59-L85 HydrophobicContact CZ-CD2 3.5Å
60S64.1Low69.8Low56 Ų5660.2 Ų60.239%0.39232%0.323SS..Hα-helixtrans-63.1-30.5179.578.40000112.3D58 Q63 Q64D58-S60 VanDerWaalsContact CG-OG 3.29Å; D58-S60 PolarHBondContact O-N 3.21Å; D58-S60 VanDerWaalsContact O-N 3.09Å; D58-S60 VanDerWaalsContact OD1-CB 3.24Å; D58-S60 WeakPolarHBondContact OD1-CB 3.35Å; D58-S60 PolarHBondContact OD1-N 2.9Å; D58-S60 VanDerWaalsContact OD1-N 3.08Å; D58-S60 PolarHBondContact OD1-OG 3.05Å; D58-S60 PolarHBondContact OD2-OG 3.34Å; S60-Q63 PolarHBondContact O-N 2.91Å; S60-Q64 WeakPolarHBondContact O-CG 3.45Å; S60-Q64 PolarHBondContact O-N 3.13Å
61I59.8Low69.3Low17 Ų1763.7 Ų63.79%0.08734%0.338CS..Hα-helixtrans-72.6-42.3178.5-56.5176.4000110.7D58 F59 Q63 Q64 E65 K164 I165 T168D58-I61 HydrophobicContact CB-CD1 3.85Å; D58-I61 HydrophobicContact CB-CG1 4.11Å; D58-I61 PolarHBondContact O-N 3.19Å; D58-I61 VanDerWaalsContact O-N 3.11Å; F59-I61 PolarHBondContact O-N 2.84Å; I61-Q63 VanDerWaalsContact C-N 3.29Å; I61-Q64 WeakPolarHBondContact O-CB 3.35Å; I61-Q64 PolarHBondContact O-N 3.34Å; I61-E65 PolarHBondContact O-N 3.36Å; I61-K164 HydrophobicContact CG2-CB 4.14Å; I61-I165 HydrophobicContact CB-CG1 4.28Å; I61-I165 HydrophobicContact CG2-CG1 3.5Å; I61-T168 HydrophobicContact CD1-CG2 4.03Å; I61-T168 WeakPolarHBondContact CD1-OG1 3.24Å
62I67.1Low69.3Low7 Ų763.4 Ų63.44%0.03634%0.338CS..Hα-helixtrans-69-32.9176.7-57.8170.9000110.3L53 F59 E65 I66 L90 I165L53-I62 HydrophobicContact CD2-CD1 3.31Å; F59-I62 PolarHBondContact O-N 2.71Å; I62-E65 WeakPolarHBondContact O-CB 3.42Å; I62-E65 PolarHBondContact O-N 3.35Å; I62-I66 PolarHBondContact O-N 3.43Å; I62-L90 HydrophobicContact CG2-CD2 3.13Å; I62-I165 HydrophobicContact CG1-CD1 3.7Å; I62-I165 HydrophobicContact CG1-CG1 4.37Å
63Q67.9Low69.6Low106 Ų10665 Ų6550%0.49534%0.344SS..Hα-helixtrans-67.4-36.8172.9-168.4171.9-7.700112I11 F59 S60 I61 E65 I66 F67I11-Q63 HydrophobicContact CD1-CG 4.23Å; F59-Q63 HydrophobicContact CE1-CB 4.49Å; F59-Q63 WeakPolarHBondContact O-CB 3.48Å; F59-Q63 PolarHBondContact O-N 2.86Å; S60-Q63 PolarHBondContact O-N 2.91Å; I61-Q63 VanDerWaalsContact C-N 3.29Å; Q63-E65 VanDerWaalsContact C-N 3.29Å; Q63-E65 PolarHBondContact O-N 2.85Å; Q63-I66 PolarHBondContact O-N 2.86Å; Q63-F67 WeakPolarHBondContact O-CB 3.3Å; Q63-F67 PolarHBondContact O-N 2.86Å
64Q60.4Low70.5Confident105 Ų10566.3 Ų66.349%0.49135%0.35SS..Hα-helixtrans-62.9-31.9171.6-75.1176.915.100112.6S60 I61 F67 M68S60-Q64 WeakPolarHBondContact O-CG 3.45Å; S60-Q64 PolarHBondContact O-N 3.13Å; I61-Q64 WeakPolarHBondContact O-CB 3.35Å; I61-Q64 PolarHBondContact O-N 3.34Å; Q64-F67 PolarHBondContact O-N 3.17Å; Q64-M68 WeakPolarHBondContact O-CB 3.34Å; Q64-M68 PolarHBondContact O-N 3.32Å
65E62.8Low71.4Confident19 Ų1965 Ų659%0.08934%0.344CS..Hα-helixtrans-59.5-57172.5178.8155.7-15500112.7I61 I62 Q63 F67 M68 V69 V161I61-E65 PolarHBondContact O-N 3.36Å; I62-E65 WeakPolarHBondContact O-CB 3.42Å; I62-E65 PolarHBondContact O-N 3.35Å; Q63-E65 VanDerWaalsContact C-N 3.29Å; Q63-E65 PolarHBondContact O-N 2.85Å; E65-F67 PolarHBondContact O-N 2.85Å; E65-M68 WeakPolarHBondContact O-CA 3.26Å; E65-M68 WeakPolarHBondContact O-CB 3.23Å; E65-M68 PolarHBondContact O-N 2.8Å; E65-V69 PolarHBondContact O-N 3.36Å; E65-V161 HydrophobicContact CB-CB 3.75Å; E65-V161 HydrophobicContact CB-CG1 3.45Å; E65-V161 VanDerWaalsContact CB-CG1 3.45Å; E65-V161 HydrophobicContact CB-CG2 3.27Å; E65-V161 HydrophobicContact CG-CB 3.66Å; E65-V161 HydrophobicContact CG-CG1 3.91Å; E65-V161 HydrophobicContact CG-CG2 3.08Å; E65-V161 WeakPolarHBondContact OE1-CB 3.27Å; E65-V161 WeakPolarHBondContact OE1-CG2 3.26Å; E65-V161 WeakPolarHBondContact OE2-CB 3.04Å; E65-V161 WeakPolarHBondContact OE2-CG1 3.43Å
66I69.6Low72.7Confident10 Ų1059.2 Ų59.25%0.05131%0.306CS..Hα-helixtrans-57.7-42.2-178.5-68.9164.6000108.2I11 I62 Q63 M68 V69 K70 Y80 L90 I92I11-I66 HydrophobicContact CD1-CD1 3.67Å; I11-I66 HydrophobicContact CG1-CD1 4.11Å; I62-I66 PolarHBondContact O-N 3.43Å; Q63-I66 PolarHBondContact O-N 2.86Å; I66-M68 PolarHBondContact O-N 2.92Å; I66-V69 PolarHBondContact O-N 3.24Å; I66-K70 WeakPolarHBondContact O-CB 3.41Å; I66-K70 PolarHBondContact O-N 2.87Å; I66-Y80 HydrophobicContact CG2-CE2 4.02Å; I66-Y80 VanDerWaalsContact CG2-OH 3.32Å; I66-Y80 WeakPolarHBondContact CG2-OH 3.25Å; I66-L90 HydrophobicContact CD1-CD1 3.96Å; I66-L90 HydrophobicContact CD1-CD2 3.94Å; I66-L90 HydrophobicContact CD1-CG 4.46Å; I66-I92 HydrophobicContact CG1-CD1 4.28Å
67F68.4Low74Confident112 Ų11255.4 Ų55.449%0.49127%0.266SS..Hα-helixtrans-62.4-41.3176.2-166.6-94.1000113Q63 Q64 E65 V69 E71Q63-F67 WeakPolarHBondContact O-CB 3.3Å; Q63-F67 PolarHBondContact O-N 2.86Å; Q64-F67 PolarHBondContact O-N 3.17Å; E65-F67 PolarHBondContact O-N 2.85Å; F67-V69 PolarHBondContact O-N 2.88Å; F67-E71 HydrophobicContact CE1-CG 4.5Å; F67-E71 VanDerWaalsContact CE1-OE1 3.26Å; F67-E71 WeakPolarHBondContact CE1-OE1 3.28Å; F67-E71 WeakPolarHBondContact CZ-OE1 3.48Å
68M66.3Low75Confident48 Ų4853.4 Ų53.424%0.23626%0.256CS..Hα-helixtrans-61-46.7178.9-166.6-172.9-41.100111.8Q64 E65 I66 C72 K136 V161Q64-M68 WeakPolarHBondContact O-CB 3.34Å; Q64-M68 PolarHBondContact O-N 3.32Å; E65-M68 WeakPolarHBondContact O-CA 3.26Å; E65-M68 WeakPolarHBondContact O-CB 3.23Å; E65-M68 PolarHBondContact O-N 2.8Å; I66-M68 PolarHBondContact O-N 2.92Å; M68-C72 PolarHBondContact O-SG 2.9Å; M68-K136 HydrophobicContact CG-CD 3.82Å; M68-K136 HydrophobicContact CG-CG 4.31Å; M68-K136 PolarHBondContact O-NZ 2.78Å; M68-V161 HydrophobicContact CE-CG2 4.44Å
69V67.1Low76.2Confident22 Ų2251.9 Ų51.913%0.13325%0.253CS..Hα-helixtrans-77.5-36.1-177.8-172.70000111.7E65 I66 F67 E71 C72 F159E65-V69 PolarHBondContact O-N 3.36Å; I66-V69 PolarHBondContact O-N 3.24Å; F67-V69 PolarHBondContact O-N 2.88Å; V69-E71 VanDerWaalsContact C-N 3.26Å; V69-E71 PolarHBondContact O-N 2.76Å; V69-C72 WeakPolarHBondContact O-CB 3.35Å; V69-C72 PolarHBondContact O-N 2.67Å; V69-F159 HydrophobicContact CG1-CD2 4.18Å; V69-F159 HydrophobicContact CG1-CE2 4.28Å; V69-F159 HydrophobicContact CG2-CB 4.13Å; V69-F159 HydrophobicContact CG2-CD2 3.59Å; V69-F159 HydrophobicContact CG2-CE2 4.45Å; V69-F159 HydrophobicContact CG2-CG 4.12Å
70K73.7Confident77Confident63 Ų6351.3 Ų51.327%0.27425%0.249SC..Hα-helixtrans-54.8-37.1-179.5174.2-176.6175.6-167.10113.7G9 I66 Y80G9-K70 VanDerWaalsContact CA-NZ 3.29Å; G9-K70 PolarHBondContact O-NZ 2.75Å; I66-K70 WeakPolarHBondContact O-CB 3.41Å; I66-K70 PolarHBondContact O-N 2.87Å; K70-Y80 HydrophobicContact CB-CD1 4.16Å; K70-Y80 HydrophobicContact CB-CE1 4.2Å; K70-Y80 HydrophobicContact CG-CD1 4.39Å; K70-Y80 HydrophobicContact CG-CE1 4.25Å
71E75.8Confident78.2Confident94 Ų9451.8 Ų51.844%0.43925%0.245SC..THydrogen-bonded Turntrans-88.4-4.8-178.7-59.3179146.200113.6F67 V69 Y130 K136F67-E71 HydrophobicContact CE1-CG 4.5Å; F67-E71 VanDerWaalsContact CE1-OE1 3.26Å; F67-E71 WeakPolarHBondContact CE1-OE1 3.28Å; F67-E71 WeakPolarHBondContact CZ-OE1 3.48Å; V69-E71 VanDerWaalsContact C-N 3.26Å; V69-E71 PolarHBondContact O-N 2.76Å; E71-Y130 PolarHBondContact O-OH 3.03Å; E71-K136 IonicContact OE2-NZ 3.86Å; E71-K136 PolarHBondContact OE2-NZ 2.87Å
72C82.4Confident79.5Confident8 Ų851.2 Ų51.25%0.05424%0.243CC..  trans-87.9112.9-178.7-70.20000110.2M68 V69 I77 Y130M68-C72 PolarHBondContact O-SG 2.9Å; V69-C72 WeakPolarHBondContact O-CB 3.35Å; V69-C72 PolarHBondContact O-N 2.67Å; C72-I77 HydrophobicContact CB-CD1 4.08Å; C72-I77 HydrophobicContact CB-CG2 3.99Å; C72-Y130 HydrophobicContact CB-CE1 4.04Å
73K87.7Confident80.5Confident174 Ų17451 Ų5176%0.75724%0.242SC*.  trans-123.896.7173.9-65.7-173.7179.3-173.60108.7Y130K73-Y130 PolarHBondContact N-OH 3.48Å
74H93.7Very high81.5Confident51 Ų5146.5 Ų46.524%0.23622%0.22CC..  trans-149.4147.6-179.9-169.7-94.7000110N76 I77 Y130H74-N76 VanDerWaalsContact C-N 3.28Å; H74-N76 PolarHBondContact CE1-OD1 3.02Å; H74-N76 VanDerWaalsContact CE1-OD1 3.26Å; H74-N76 PolarHBondContact ND1-N 3.13Å; H74-N76 VanDerWaalsContact ND1-N 3.15Å; H74-N76 PolarHBondContact O-N 3.09Å; H74-I77 HydrophobicContact CB-CB 4.22Å; H74-I77 HydrophobicContact CB-CD1 3.9Å; H74-I77 HydrophobicContact CB-CG1 4.11Å; H74-I77 PolarHBondContact O-N 3.32Å; H74-I77 VanDerWaalsContact O-N 3.08Å; H74-Y130 HydrophobicContact CB-CD1 3.88Å; H74-Y130 HydrophobicContact CB-CD2 4.24Å; H74-Y130 HydrophobicContact CB-CE1 4.24Å; H74-Y130 HydrophobicContact CB-CG 3.89Å; H74-Y130 AromaticContact CD2-CD2 3.87Å; H74-Y130 AromaticContact CD2-CG 3.82Å; H74-Y130 AromaticContact CG-CG 3.95Å
75H94.5Very high82.8Confident102 Ų10242.1 Ų42.147%0.47220%0.201SC..THydrogen-bonded Turntrans-64.6-31.3-175.575.788.1000113.2E123 K155H75-E123 IonicContact CE1-OE2 3.08Å; H75-E123 PolarHBondContact CE1-OE2 3.07Å; H75-K155 WeakPolarHBondContact O-CD 3.32Å; H75-K155 WeakPolarHBondContact O-CE 3.45Å; H75-K155 PolarHBondContact O-NZ 2.78Å
76N96.1Very high83.9Confident1 Ų142.5 Ų42.51%0.00521%0.205CC..THydrogen-bonded Turntrans-90.316.6174.2-51.7115.3000115H74 E123 Q126 V154 L156H74-N76 VanDerWaalsContact C-N 3.28Å; H74-N76 PolarHBondContact CE1-OD1 3.02Å; H74-N76 VanDerWaalsContact CE1-OD1 3.26Å; H74-N76 PolarHBondContact ND1-N 3.13Å; H74-N76 VanDerWaalsContact ND1-N 3.15Å; H74-N76 PolarHBondContact O-N 3.09Å; N76-E123 WeakPolarHBondContact CB-O 3.3Å; N76-E123 WeakPolarHBondContact ND2-CB 3.38Å; N76-E123 PolarHBondContact ND2-OE2 3.17Å; N76-E123 PolarHBondContact OD1-O 2.68Å; N76-Q126 VanDerWaalsContact OD1-CB 3.27Å; N76-Q126 WeakPolarHBondContact OD1-CB 3.4Å; N76-Q126 PolarHBondContact OD1-OE1 2.9Å; N76-V154 VanDerWaalsContact CA-O 3.31Å; N76-V154 WeakPolarHBondContact CA-O 3.49Å; N76-V154 PolarHBondContact ND2-O 3.17Å; N76-L156 WeakPolarHBondContact O-CB 3.46Å; N76-L156 WeakPolarHBondContact O-CG 3.22Å; N76-L156 PolarHBondContact O-N 3.25Å
77I92.4Very high84.5Confident2 Ų252.9 Ų52.91%0.0124%0.243CC..BIsolated β-bridgetrans-120.1132.6174-69.7174.9000107.2C72 H74 A79 Y130 L131 F159C72-I77 HydrophobicContact CB-CD1 4.08Å; C72-I77 HydrophobicContact CB-CG2 3.99Å; H74-I77 HydrophobicContact CB-CB 4.22Å; H74-I77 HydrophobicContact CB-CD1 3.9Å; H74-I77 HydrophobicContact CB-CG1 4.11Å; H74-I77 PolarHBondContact O-N 3.32Å; H74-I77 VanDerWaalsContact O-N 3.08Å; I77-A79 PolarHBondContact O-N 3.16Å; I77-Y130 HydrophobicContact CD1-CD1 3.54Å; I77-Y130 HydrophobicContact CD1-CE1 3.97Å; I77-L131 HydrophobicContact CD1-CD2 3.66Å; I77-L131 HydrophobicContact CD1-CG 3.9Å; I77-F159 HydrophobicContact CB-CZ 4.08Å; I77-F159 HydrophobicContact CD1-CE1 4.44Å; I77-F159 HydrophobicContact CD1-CZ 4.41Å; I77-F159 HydrophobicContact CG1-CE1 4.27Å; I77-F159 HydrophobicContact CG1-CZ 3.92Å; I77-F159 HydrophobicContact CG2-CE1 4.38Å; I77-F159 HydrophobicContact CG2-CE2 3.81Å; I77-F159 HydrophobicContact CG2-CZ 3.41Å; I77-F159 VanDerWaalsContact CG2-CZ 3.41Å
78V90.6Very high85.1Confident5 Ų553.6 Ų53.63%0.0325%0.248CC..PPolyproline II helixtrans-55.4126.4174.9172.10000109.2M94 E95 L147 K155 L156 A157V78-M94 HydrophobicContact CG1-CB 3.78Å; V78-M94 HydrophobicContact CG1-CG 3.9Å; V78-M94 HydrophobicContact CG1-SD 4.09Å; V78-E95 HydrophobicContact CG1-CB 3.99Å; V78-L147 HydrophobicContact CG2-CD1 4.17Å; V78-K155 HydrophobicContact CG2-CB 3.73Å; V78-L156 WeakPolarHBondContact CG2-O 3.23Å; V78-L156 PolarHBondContact N-O 3.3Å; V78-A157 HydrophobicContact CG2-CB 3.82Å
79A90Very high86.1Confident38 Ų3856.2 Ų56.231%0.31426%0.258SS..PPolyproline II helixtrans-70.2135.6-179.900000111.4I77 F81 M94 E95I77-A79 PolarHBondContact O-N 3.16Å; A79-F81 HydrophobicContact CB-CE1 4.12Å; A79-M94 CarbonylContact O-C 3.49Å; A79-M94 VanDerWaalsContact O-CA 3.25Å; A79-M94 WeakPolarHBondContact O-CA 3.39Å; A79-M94 WeakPolarHBondContact O-CB 3.27Å; A79-E95 HydrophobicContact CB-CB 4.02Å; A79-E95 PolarHBondContact N-OE2 2.92Å; A79-E95 VanDerWaalsContact N-OE2 3.09Å; A79-E95 PolarHBondContact O-N 3.39Å
80Y87.6Confident87Confident37 Ų3755.1 Ų55.115%0.14525%0.252CS..EExtended strand (participates in β ladder)trans-90.9128.3175171.1-94.4000110.6I66 K70 G82 S83 I92I66-Y80 HydrophobicContact CG2-CE2 4.02Å; I66-Y80 VanDerWaalsContact CG2-OH 3.32Å; I66-Y80 WeakPolarHBondContact CG2-OH 3.25Å; K70-Y80 HydrophobicContact CB-CD1 4.16Å; K70-Y80 HydrophobicContact CB-CE1 4.2Å; K70-Y80 HydrophobicContact CG-CD1 4.39Å; K70-Y80 HydrophobicContact CG-CE1 4.25Å; Y80-G82 WeakPolarHBondContact CE2-O 3.04Å; Y80-G82 WeakPolarHBondContact OH-CA 3.34Å; Y80-S83 WeakPolarHBondContact OH-CB 3.16Å; Y80-S83 PolarHBondContact OH-N 3.32Å; Y80-S83 PolarHBondContact OH-OG 2.83Å; Y80-I92 HydrophobicContact CD2-CG2 4.18Å; Y80-I92 HydrophobicContact CE2-CG2 4.03Å
81F88Confident87.7Confident67 Ų6753.1 Ų53.129%0.29424%0.242SC..EExtended strand (participates in β ladder)trans-100.1-35.1179.7-61.5-26.3000112.8A46 A79 C93 M94 E95A46-F81 HydrophobicContact CB-CD2 4.07Å; A46-F81 HydrophobicContact CB-CE2 4.08Å; A79-F81 HydrophobicContact CB-CE1 4.12Å; F81-C93 HydrophobicContact CB-CB 4.26Å; F81-C93 PolarHBondContact N-O 2.81Å; F81-M94 WeakPolarHBondContact CE2-O 3.49Å; F81-E95 HydrophobicContact CZ-CB 4.09Å
82G87.4Confident88.2Confident5 Ų549.1 Ų49.15%0.05222%0.224CC..EExtended strand (participates in β ladder)trans164.9174.5-179.600000113Y80 C93Y80-G82 WeakPolarHBondContact CE2-O 3.04Å; Y80-G82 WeakPolarHBondContact OH-CA 3.34Å; G82-C93 PolarHBondContact N-O 3.48Å; G82-C93 WeakPolarHBondContact O-CB 3.5Å; G82-C93 PolarHBondContact O-N 3.45Å
83S88.1Confident88.6Confident1 Ų148.8 Ų48.81%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-142149.8172.655.60000112.7Q12 Y80 W91Q12-S83 PolarHBondContact N-O 3.19Å; Y80-S83 WeakPolarHBondContact OH-CB 3.16Å; Y80-S83 PolarHBondContact OH-N 3.32Å; Y80-S83 PolarHBondContact OH-OG 2.83Å; S83-W91 CarbonylContact C-O 3.46Å; S83-W91 WeakPolarHBondContact CA-O 3.4Å; S83-W91 WeakPolarHBondContact CB-O 3.45Å
84Y89.9Confident88.7Confident12 Ų1241.9 Ų41.95%0.04719%0.192CC..EExtended strand (participates in β ladder)trans-130.9138.6-177.1-53.7-100.9000109.8Q12 R14 P16 D19 F20 L90 W91Q12-Y84 HydrophobicContact CB-CD1 3.63Å; Q12-Y84 HydrophobicContact CB-CE1 3.92Å; Q12-Y84 HydrophobicContact CB-CG 4.37Å; Q12-Y84 HydrophobicContact CG-CD1 4.41Å; Q12-Y84 HydrophobicContact CG-CE1 4.26Å; Q12-Y84 CarbonylContact O-C 3.6Å; Q12-Y84 WeakPolarHBondContact O-CA 3.29Å; Q12-Y84 VanDerWaalsContact OE1-CE1 3.3Å; R14-Y84 HydrophobicContact CG-CD1 4.1Å; R14-Y84 HydrophobicContact CG-CE1 4.13Å; P16-Y84 HydrophobicContact CB-CD1 4.1Å; P16-Y84 HydrophobicContact CB-CD2 3.85Å; P16-Y84 HydrophobicContact CB-CE2 4.48Å; P16-Y84 HydrophobicContact CB-CG 3.66Å; P16-Y84 HydrophobicContact CG-CG 4.46Å; D19-Y84 VanDerWaalsContact OD2-CE1 3.26Å; D19-Y84 WeakPolarHBondContact OD2-CE1 3.48Å; D19-Y84 PolarHBondContact OD2-OH 3.3Å; D19-Y84 VanDerWaalsContact OD2-OH 3.04Å; F20-Y84 HydrophobicContact CD2-CE2 4.18Å; F20-Y84 AromaticContact CE2-CE2 3.91Å; F20-Y84 HydrophobicContact CE2-CE2 3.91Å; Y84-L90 CarbonylContact O-C 3.49Å; Y84-L90 WeakPolarHBondContact O-CA 3.21Å; Y84-W91 HydrophobicContact CD2-CB 4.4Å; Y84-W91 PolarHBondContact N-O 3.28Å; Y84-W91 PolarHBondContact O-N 3.11Å
85L86.9Confident88.6Confident14 Ų1441.4 Ų41.47%0.07319%0.191CC..EExtended strand (participates in β ladder)trans-119.9106.4173.4177.354.4000109.2I11 Q12 L53 F59 L90I11-L85 HydrophobicContact CG2-CB 3.65Å; Q12-L85 PolarHBondContact O-N 3.02Å; L53-L85 HydrophobicContact CD1-CD1 3.68Å; F59-L85 HydrophobicContact CD2-CD2 4.46Å; F59-L85 HydrophobicContact CE1-CD2 4.3Å; F59-L85 HydrophobicContact CE2-CD2 3.61Å; F59-L85 HydrophobicContact CZ-CD2 3.5Å; L85-L90 HydrophobicContact CB-CD1 4.42Å; L85-L90 HydrophobicContact CD1-CB 4.48Å
86C85Confident88.5Confident27 Ų2738.7 Ų38.718%0.18218%0.176CC..EExtended strand (participates in β ladder)trans-137.5129.6-177-170.60000109.9E88 K89C86-E88 PolarHBondContact O-N 2.97Å; C86-K89 PolarHBondContact N-O 3.47Å; C86-K89 PolarHBondContact O-N 2.8Å
87R82.5Confident88.3Confident227 Ų22739 Ų3986%0.85718%0.179SC*.THydrogen-bonded Turntrans48.152.3177.2-58.8178.8-178.3-177.90.4113.2K89R87-K89 PolarHBondContact O-N 2.96Å
88E82.3Confident88Confident128 Ų12840.1 Ų40.160%0.59819%0.19SC*.THydrogen-bonded Turntrans61.914.2178.8-53.7172.9168.100114.6L53 C86L53-E88 WeakPolarHBondContact CB-O 3.47Å; L53-E88 PolarHBondContact N-O 2.71Å; C86-E88 PolarHBondContact O-N 2.97Å
89K86.3Confident87.8Confident102 Ų10240.1 Ų40.144%0.44319%0.192SC..EExtended strand (participates in β ladder)trans-113.2125.8173.3-64.7-177-179.1-175.10110.1I50 I51 C86 R87I50-K89 HydrophobicContact CG2-CB 4.17Å; I50-K89 HydrophobicContact CG2-CD 4.08Å; I50-K89 HydrophobicContact CG2-CG 4.45Å; I51-K89 CarbonylContact O-C 3.58Å; I51-K89 WeakPolarHBondContact O-CA 3.35Å; C86-K89 PolarHBondContact N-O 3.47Å; C86-K89 PolarHBondContact O-N 2.8Å; R87-K89 PolarHBondContact O-N 2.96Å
90L85.6Confident87.8Confident0 Ų039.4 Ų39.40%019%0.188CC..EExtended strand (participates in β ladder)trans-93.3123.6170.8177.769.4000109.6I11 I50 I51 L53 I62 I66 Y84 L85 I92I11-L90 HydrophobicContact CG2-CD1 4.14Å; I50-L90 CarbonylContact C-O 3.51Å; I50-L90 WeakPolarHBondContact CA-O 3.46Å; I51-L90 HydrophobicContact CB-CB 4.34Å; I51-L90 HydrophobicContact CD1-CD2 4.44Å; I51-L90 PolarHBondContact N-O 3.07Å; I51-L90 PolarHBondContact O-N 2.9Å; L53-L90 HydrophobicContact CD1-CB 4.42Å; I62-L90 HydrophobicContact CG2-CD2 3.13Å; I66-L90 HydrophobicContact CD1-CD1 3.96Å; I66-L90 HydrophobicContact CD1-CD2 3.94Å; I66-L90 HydrophobicContact CD1-CG 4.46Å; Y84-L90 CarbonylContact O-C 3.49Å; Y84-L90 WeakPolarHBondContact O-CA 3.21Å; L85-L90 HydrophobicContact CB-CD1 4.42Å; L85-L90 HydrophobicContact CD1-CB 4.48Å; L90-I92 HydrophobicContact CD2-CD1 4.18Å; L90-I92 HydrophobicContact CD2-CG1 4.21Å; L90-I92 HydrophobicContact CG-CG1 4.13Å
91W89.5Confident88Confident20 Ų2038 Ų388%0.07618%0.183CC..EExtended strand (participates in β ladder)trans-105.3124.1175.9-67.749.1000108.2P16 Q17 L22 V48 K49 I50 S83 Y84P16-W91 HydrophobicContact CB-CB 4.47Å; P16-W91 HydrophobicContact CB-CD2 3.73Å; P16-W91 HydrophobicContact CB-CE3 3.45Å; P16-W91 VanDerWaalsContact CB-CE3 3.45Å; P16-W91 HydrophobicContact CB-CG 4.16Å; P16-W91 HydrophobicContact CB-CZ3 3.9Å; P16-W91 HydrophobicContact CG-CB 4.47Å; P16-W91 HydrophobicContact CG-CD2 3.32Å; P16-W91 VanDerWaalsContact CG-CE2 3.49Å; P16-W91 HydrophobicContact CG-CE3 3.51Å; P16-W91 HydrophobicContact CG-CG 3.74Å; P16-W91 HydrophobicContact CG-CH2 4.07Å; P16-W91 HydrophobicContact CG-CZ2 3.89Å; P16-W91 HydrophobicContact CG-CZ3 3.89Å; Q17-W91 HydrophobicContact CG-CH2 4.09Å; L22-W91 HydrophobicContact CD1-CH2 3.54Å; L22-W91 HydrophobicContact CD1-CZ2 4.36Å; L22-W91 HydrophobicContact CD1-CZ3 4.04Å; L22-W91 HydrophobicContact CD2-CH2 4.14Å; L22-W91 HydrophobicContact CD2-CZ3 3.75Å; L22-W91 HydrophobicContact CG-CH2 3.94Å; L22-W91 HydrophobicContact CG-CZ3 3.99Å; V48-W91 HydrophobicContact CG1-CB 4.31Å; V48-W91 HydrophobicContact CG1-CD2 3.99Å; V48-W91 HydrophobicContact CG1-CE3 3.33Å; V48-W91 HydrophobicContact CG1-CG 4.45Å; V48-W91 HydrophobicContact CG1-CZ3 3.94Å; K49-W91 CarbonylContact O-C 3.55Å; K49-W91 WeakPolarHBondContact O-CA 3.3Å; I50-W91 HydrophobicContact CD1-CD2 4.07Å; I50-W91 HydrophobicContact CD1-CE3 4.34Å; I50-W91 HydrophobicContact CD1-CH2 3.96Å; I50-W91 HydrophobicContact CD1-CZ2 3.66Å; I50-W91 HydrophobicContact CD1-CZ3 4.28Å; I50-W91 HydrophobicContact CG1-CD2 3.99Å; I50-W91 HydrophobicContact CG1-CE3 4.44Å; I50-W91 HydrophobicContact CG1-CG 4.27Å; I50-W91 HydrophobicContact CG1-CZ2 4.45Å; S83-W91 CarbonylContact C-O 3.46Å; S83-W91 WeakPolarHBondContact CA-O 3.4Å; S83-W91 WeakPolarHBondContact CB-O 3.45Å; Y84-W91 HydrophobicContact CD2-CB 4.4Å; Y84-W91 PolarHBondContact N-O 3.28Å; Y84-W91 PolarHBondContact O-N 3.11Å
92I86.6Confident88.2Confident11 Ų1134.9 Ų34.96%0.05617%0.17CC..EExtended strand (participates in β ladder)trans-113.5112.4174.6-53.6178.2000107.1V48 K49 I51 I66 Y80 L90 M94V48-I92 WeakPolarHBondContact CA-O 3.44Å; K49-I92 HydrophobicContact CB-CB 4.36Å; K49-I92 PolarHBondContact N-O 3.17Å; K49-I92 PolarHBondContact O-N 3.37Å; I51-I92 HydrophobicContact CD1-CD1 3.95Å; I66-I92 HydrophobicContact CG1-CD1 4.28Å; Y80-I92 HydrophobicContact CD2-CG2 4.18Å; Y80-I92 HydrophobicContact CE2-CG2 4.03Å; L90-I92 HydrophobicContact CD2-CD1 4.18Å; L90-I92 HydrophobicContact CD2-CG1 4.21Å; L90-I92 HydrophobicContact CG-CG1 4.13Å; I92-M94 HydrophobicContact CB-CE 4.14Å; I92-M94 HydrophobicContact CG2-CE 3.7Å
93C90.4Very high88.3Confident0 Ų036 Ų360%017%0.174CC..EExtended strand (participates in β ladder)trans-97.3126.1-177.3-54.80000109.2F20 A47 F81 G82F20-C93 HydrophobicContact CE2-CB 3.95Å; F20-C93 HydrophobicContact CZ-CB 3.89Å; A47-C93 WeakPolarHBondContact O-CA 3.41Å; F81-C93 HydrophobicContact CB-CB 4.26Å; F81-C93 PolarHBondContact N-O 2.81Å; G82-C93 PolarHBondContact N-O 3.48Å; G82-C93 WeakPolarHBondContact O-CB 3.5Å; G82-C93 PolarHBondContact O-N 3.45Å
94M90.3Very high88Confident29 Ų2939.9 Ų39.914%0.14319%0.194CC..EExtended strand (participates in β ladder)trans-144.7168.9-172.969.2-169.974.300111.7A46 A47 K49 V78 A79 F81 I92 Y96A46-M94 WeakPolarHBondContact CA-O 2.87Å; A47-M94 HydrophobicContact CB-CG 3.78Å; A47-M94 PolarHBondContact N-O 2.92Å; A47-M94 PolarHBondContact O-N 2.99Å; K49-M94 HydrophobicContact CB-CE 3.93Å; K49-M94 HydrophobicContact CD-CE 4.48Å; V78-M94 HydrophobicContact CG1-CB 3.78Å; V78-M94 HydrophobicContact CG1-CG 3.9Å; V78-M94 HydrophobicContact CG1-SD 4.09Å; A79-M94 CarbonylContact O-C 3.49Å; A79-M94 VanDerWaalsContact O-CA 3.25Å; A79-M94 WeakPolarHBondContact O-CA 3.39Å; A79-M94 WeakPolarHBondContact O-CB 3.27Å; F81-M94 WeakPolarHBondContact CE2-O 3.49Å; I92-M94 HydrophobicContact CB-CE 4.14Å; I92-M94 HydrophobicContact CG2-CE 3.7Å; M94-Y96 PolarHBondContact O-N 2.76Å
95E91.4Very high87.9Confident42 Ų4239.3 Ų39.320%0.19619%0.192CC..EExtended strand (participates in β ladder)trans-54.3134.4175.3177-177.7-16800111V78 A79 F81 K155V78-E95 HydrophobicContact CG1-CB 3.99Å; A79-E95 HydrophobicContact CB-CB 4.02Å; A79-E95 PolarHBondContact N-OE2 2.92Å; A79-E95 VanDerWaalsContact N-OE2 3.09Å; A79-E95 PolarHBondContact O-N 3.39Å; F81-E95 HydrophobicContact CZ-CB 4.09Å; E95-K155 VanDerWaalsContact CD-NZ 3.26Å; E95-K155 VanDerWaalsContact OE1-CE 3.28Å; E95-K155 WeakPolarHBondContact OE1-CE 3.37Å; E95-K155 IonicContact OE1-NZ 2.94Å; E95-K155 PolarHBondContact OE1-NZ 2.87Å; E95-K155 IonicContact OE2-NZ 3.92Å; E95-K155 PolarHBondContact OE2-NZ 2.97Å
96Y92.2Very high87.8Confident44 Ų4438.7 Ų38.717%0.17319%0.189CC..  trans-86.9121.1176-179.1-111.1000110.9V26 K36 L45 A47 M94V26-Y96 HydrophobicContact CG1-CE2 4.4Å; K36-Y96 HydrophobicContact CB-CD2 4.49Å; K36-Y96 HydrophobicContact CB-CE2 3.99Å; K36-Y96 HydrophobicContact CD-CE1 4.19Å; K36-Y96 HydrophobicContact CD-CE2 4.14Å; K36-Y96 HydrophobicContact CG-CD2 4.23Å; K36-Y96 HydrophobicContact CG-CE1 4.42Å; K36-Y96 HydrophobicContact CG-CE2 3.85Å; L45-Y96 HydrophobicContact CB-CD1 3.98Å; L45-Y96 HydrophobicContact CB-CG 4.28Å; L45-Y96 HydrophobicContact CD1-CD1 4.05Å; L45-Y96 HydrophobicContact CD1-CE1 4.22Å; A47-Y96 HydrophobicContact CB-CD2 4.29Å; M94-Y96 PolarHBondContact O-N 2.76Å
97C91.9Very high87.4Confident9 Ų939 Ų396%0.06119%0.187CC..  trans-99.896.1174.6-63.30000109.5G99 G100 L147 L148C97-G99 VanDerWaalsContact C-N 3.27Å; C97-G99 PolarHBondContact O-N 3.35Å; C97-G100 PolarHBondContact O-N 2.94Å; C97-G100 VanDerWaalsContact O-N 3.09Å; C97-L147 HydrophobicContact CB-CB 3.69Å; C97-L147 HydrophobicContact CB-CD1 3.98Å; C97-L147 HydrophobicContact CB-CG 4.49Å; C97-L148 CarbonylContact C-O 3.47Å; C97-L148 WeakPolarHBondContact CB-O 3.49Å
98G86.1Confident87.2Confident24 Ų2431.9 Ų31.925%0.24717%0.169CC..THydrogen-bonded Turntrans-64.3-24.3-172.300000115.6G100 D150G98-G100 PolarHBondContact O-N 2.87Å; G98-D150 VanDerWaalsContact C-OD1 3.24Å; G98-D150 WeakPolarHBondContact CA-OD1 3.37Å
99G86.1Confident87.2Confident6 Ų627.5 Ų27.56%0.06215%0.151CC..THydrogen-bonded Turntrans-73.4-8.9173.900000114.8C97 I105 L148C97-G99 VanDerWaalsContact C-N 3.27Å; C97-G99 PolarHBondContact O-N 3.35Å; G99-I105 WeakPolarHBondContact O-CD1 3.36Å; G99-I105 WeakPolarHBondContact O-CG1 3.33Å; G99-L148 VanDerWaalsContact CA-O 3.23Å; G99-L148 WeakPolarHBondContact CA-O 3.32Å; G99-L148 PolarHBondContact N-O 2.87Å
100G90Very high87.2Confident23 Ų2323.3 Ų23.324%0.23714%0.137CC..EExtended strand (participates in β ladder)trans72.4-163.9-18000000113.5C97 G98 L147 L148C97-G100 PolarHBondContact O-N 2.94Å; C97-G100 VanDerWaalsContact O-N 3.09Å; G98-G100 PolarHBondContact O-N 2.87Å; G100-L147 CarbonylContact O-C 3.41Å; G100-L147 VanDerWaalsContact O-CA 3.27Å; G100-L147 WeakPolarHBondContact O-CA 3.25Å; G100-L148 PolarHBondContact O-N 2.82Å
101S91.4Very high87.4Confident7 Ų726.1 Ų26.15%0.04916%0.155CC..EExtended strand (participates in β ladder)trans-82152178.175.40000111.6Q103 D104 I105 A144 I146S101-Q103 PolarHBondContact O-N 3.41Å; S101-Q103 VanDerWaalsContact O-N 3.16Å; S101-Q103 PolarHBondContact OG-N 2.87Å; S101-D104 WeakPolarHBondContact CB-OD2 3.34Å; S101-D104 PolarHBondContact N-OD2 2.92Å; S101-D104 PolarHBondContact O-N 2.88Å; S101-D104 PolarHBondContact OG-N 2.98Å; S101-D104 VanDerWaalsContact OG-N 3.1Å; S101-D104 PolarHBondContact OG-OD2 3.04Å; S101-I105 WeakPolarHBondContact O-CD1 3.38Å; S101-I105 WeakPolarHBondContact O-CG1 3.45Å; S101-I105 PolarHBondContact O-N 3.26Å; S101-A144 WeakPolarHBondContact CB-O 3.46Å; S101-I146 WeakPolarHBondContact CA-O 3.38Å
102L92.4Very high87.7Confident1 Ų125.3 Ų25.31%0.00515%0.152CC..Hα-helixtrans-57.6-30.6172.5-73.3178.6000111.7I105 Y106 V120 G143 I146 L148 L211 L290L102-I105 HydrophobicContact CD2-CD1 4.1Å; L102-I105 PolarHBondContact O-N 2.83Å; L102-Y106 WeakPolarHBondContact O-CD1 3.49Å; L102-Y106 PolarHBondContact O-N 2.88Å; L102-V120 HydrophobicContact CD1-CB 4.23Å; L102-V120 HydrophobicContact CD1-CG1 3.35Å; L102-V120 HydrophobicContact CD1-CG2 3.83Å; L102-V120 HydrophobicContact CD2-CG2 4.21Å; L102-G143 PolarHBondContact N-O 2.88Å; L102-I146 HydrophobicContact CD1-CB 3.85Å; L102-I146 HydrophobicContact CD1-CD1 4.47Å; L102-I146 HydrophobicContact CD1-CG2 3.48Å; L102-I146 VanDerWaalsContact CD1-CG2 3.48Å; L102-I146 HydrophobicContact CG-CB 4.31Å; L102-I146 HydrophobicContact CG-CG2 4.08Å; L102-I146 PolarHBondContact N-O 2.8Å; L102-L148 HydrophobicContact CD2-CD1 3.91Å; L102-L148 HydrophobicContact CD2-CD2 4.24Å; L102-L148 HydrophobicContact CD2-CG 3.89Å; L102-L211 HydrophobicContact CB-CD2 3.98Å; L102-L211 HydrophobicContact CD1-CD1 4.14Å; L102-L211 HydrophobicContact CD1-CD2 4.1Å; L102-L290 HydrophobicContact CD2-CD2 4.42Å
103Q88.8Confident88.2Confident30 Ų3027.2 Ų27.214%0.1417%0.167CC..Hα-helixtrans-56.3-58.6170-176.1160.6101.100111.2S101 I105 Y106 H107 G143 A144S101-Q103 PolarHBondContact O-N 3.41Å; S101-Q103 VanDerWaalsContact O-N 3.16Å; S101-Q103 PolarHBondContact OG-N 2.87Å; Q103-I105 PolarHBondContact O-N 3.05Å; Q103-I105 VanDerWaalsContact O-N 3.16Å; Q103-Y106 HydrophobicContact CB-CE1 4.07Å; Q103-Y106 HydrophobicContact CG-CE1 4.41Å; Q103-Y106 HydrophobicContact CG-CE2 4.32Å; Q103-Y106 WeakPolarHBondContact CG-OH 3.34Å; Q103-Y106 PolarHBondContact NE2-OH 2.89Å; Q103-Y106 PolarHBondContact O-N 2.87Å; Q103-H107 WeakPolarHBondContact CG-CE1 3.2Å; Q103-H107 WeakPolarHBondContact O-CB 3.37Å; Q103-H107 VanDerWaalsContact O-CG 3.26Å; Q103-H107 PolarHBondContact O-N 3.32Å; Q103-H107 PolarHBondContact O-ND1 2.86Å; Q103-G143 PolarHBondContact N-O 2.81Å; Q103-G143 VanDerWaalsContact N-O 3.08Å; Q103-A144 HydrophobicContact CB-CB 4.15Å
104D83.3Confident88.5Confident81 Ų8129.1 Ų29.143%0.43318%0.176SC..Hα-helixtrans-55.9-36.1178.9-53.1-44.1000112.3S101 H107S101-D104 WeakPolarHBondContact CB-OD2 3.34Å; S101-D104 PolarHBondContact N-OD2 2.92Å; S101-D104 PolarHBondContact O-N 2.88Å; S101-D104 PolarHBondContact OG-N 2.98Å; S101-D104 VanDerWaalsContact OG-N 3.1Å; S101-D104 PolarHBondContact OG-OD2 3.04Å; D104-H107 WeakPolarHBondContact O-CB 3.33Å
105I86.3Confident88.8Confident0 Ų031.6 Ų31.60%019%0.189CC..Hα-helixtrans-71.7-53.2-179.3-63.4157.2000112.6G99 S101 L102 Q103 H107 V108 T109 L148 L290 L291 M294G99-I105 WeakPolarHBondContact O-CD1 3.36Å; G99-I105 WeakPolarHBondContact O-CG1 3.33Å; S101-I105 WeakPolarHBondContact O-CD1 3.38Å; S101-I105 WeakPolarHBondContact O-CG1 3.45Å; S101-I105 PolarHBondContact O-N 3.26Å; L102-I105 HydrophobicContact CD2-CD1 4.1Å; L102-I105 PolarHBondContact O-N 2.83Å; Q103-I105 PolarHBondContact O-N 3.05Å; Q103-I105 VanDerWaalsContact O-N 3.16Å; I105-H107 PolarHBondContact O-N 2.83Å; I105-H107 VanDerWaalsContact O-N 3.14Å; I105-V108 PolarHBondContact O-N 2.8Å; I105-T109 HydrophobicContact CG2-CG2 4.19Å; I105-T109 WeakPolarHBondContact O-CB 3.3Å; I105-T109 WeakPolarHBondContact O-CG2 3.47Å; I105-T109 PolarHBondContact O-N 2.84Å; I105-T109 PolarHBondContact O-OG1 2.97Å; I105-L148 HydrophobicContact CD1-CB 4.11Å; I105-L148 HydrophobicContact CD1-CD1 3.51Å; I105-L148 HydrophobicContact CD1-CG 3.82Å; I105-L290 HydrophobicContact CG2-CD1 4.24Å; I105-L290 HydrophobicContact CG2-CD2 3.47Å; I105-L290 VanDerWaalsContact CG2-CD2 3.47Å; I105-L290 HydrophobicContact CG2-CG 3.46Å; I105-L290 VanDerWaalsContact CG2-CG 3.46Å; I105-L291 HydrophobicContact CD1-CD2 4.15Å; I105-L291 HydrophobicContact CG1-CD2 4.48Å; I105-M294 HydrophobicContact CB-SD 4.24Å; I105-M294 HydrophobicContact CG1-SD 3.6Å; I105-M294 VanDerWaalsContact CG1-SD 3.6Å; I105-M294 HydrophobicContact CG2-SD 4.42Å
106Y86.4Confident89.2Confident1 Ų130.1 Ų30.10%0.00418%0.182CC..Hα-helixtrans-66.3-16.9179.170.6-123.2000111.6L102 Q103 V108 G110 E210 L211 L214L102-Y106 WeakPolarHBondContact O-CD1 3.49Å; L102-Y106 PolarHBondContact O-N 2.88Å; Q103-Y106 HydrophobicContact CB-CE1 4.07Å; Q103-Y106 HydrophobicContact CG-CE1 4.41Å; Q103-Y106 HydrophobicContact CG-CE2 4.32Å; Q103-Y106 WeakPolarHBondContact CG-OH 3.34Å; Q103-Y106 PolarHBondContact NE2-OH 2.89Å; Q103-Y106 PolarHBondContact O-N 2.87Å; Y106-V108 VanDerWaalsContact C-N 3.35Å; Y106-G110 WeakPolarHBondContact CB-O 3.44Å; Y106-G110 WeakPolarHBondContact O-CA 3.42Å; Y106-G110 PolarHBondContact O-N 3.44Å; Y106-E210 HydrophobicContact CE1-CG 4.11Å; Y106-E210 PolarHBondContact OH-OE1 3.1Å; Y106-L211 HydrophobicContact CD1-CD2 3.62Å; Y106-L211 HydrophobicContact CE1-CD2 3.91Å; Y106-L214 HydrophobicContact CD2-CD2 3.56Å; Y106-L214 HydrophobicContact CE2-CD2 4.37Å; Y106-L214 HydrophobicContact CG-CD2 4.13Å; Y106-L214 WeakPolarHBondContact O-CD2 3.38Å
107H76.3Confident89.4Confident33 Ų3328 Ų2815%0.15317%0.174CC..Hα-helixtrans-66.8-38172.7-83.956.5000112.9Q103 D104 I105 R638 F639Q103-H107 WeakPolarHBondContact CG-CE1 3.2Å; Q103-H107 WeakPolarHBondContact O-CB 3.37Å; Q103-H107 VanDerWaalsContact O-CG 3.26Å; Q103-H107 PolarHBondContact O-N 3.32Å; Q103-H107 PolarHBondContact O-ND1 2.86Å; D104-H107 WeakPolarHBondContact O-CB 3.33Å; I105-H107 PolarHBondContact O-N 2.83Å; I105-H107 VanDerWaalsContact O-N 3.14Å; H107-R638 PolarHBondContact CE1-NH1 2.88Å; H107-R638 WeakPolarHBondContact NE2-CD 3.36Å; H107-R638 WeakPolarHBondContact NE2-CG 3.41Å; H107-R638 PolarHBondContact NE2-NE 2.89Å; H107-R638 PolarHBondContact NE2-NH1 2.85Å; H107-F639 HydrophobicContact CB-CE1 3.37Å; H107-F639 HydrophobicContact CB-CE2 4.46Å; H107-F639 HydrophobicContact CB-CZ 3.3Å; H107-F639 AromaticContact CD2-CE1 3.36Å; H107-F639 WeakPolarHBondContact CD2-CE1 3.43Å; H107-F639 AromaticContact CD2-CZ 3.26Å; H107-F639 WeakPolarHBondContact CD2-CZ 3.43Å; H107-F639 AromaticContact CG-CE1 3.59Å; H107-F639 AromaticContact CG-CZ 3.28Å; H107-F639 WeakPolarHBondContact O-CD1 3.19Å; H107-F639 WeakPolarHBondContact O-CE1 3.38Å; H107-F639 WeakPolarHBondContact O-CE2 3.23Å; H107-F639 WeakPolarHBondContact O-CZ 3.39Å
108V78.3Confident89.8Confident79 Ų7927.6 Ų27.648%0.47917%0.171SC..Hα-helixtrans-86.6-41.5177.5-179.80000111.1I105 Y106 M294 P297I105-V108 PolarHBondContact O-N 2.8Å; Y106-V108 VanDerWaalsContact C-N 3.35Å; V108-M294 HydrophobicContact CB-CG 4.24Å; V108-M294 HydrophobicContact CG1-CG 4.35Å; V108-M294 HydrophobicContact CG2-CG 4.47Å; V108-P297 HydrophobicContact CG1-CB 4.34Å
109T82Confident90.3Very high36 Ų3626.8 Ų26.822%0.22116%0.16CC..Hα-helixtrans-90.5-14.9-167.858.60000114.7I105 L290 K293 M294I105-T109 HydrophobicContact CG2-CG2 4.19Å; I105-T109 WeakPolarHBondContact O-CB 3.3Å; I105-T109 WeakPolarHBondContact O-CG2 3.47Å; I105-T109 PolarHBondContact O-N 2.84Å; I105-T109 PolarHBondContact O-OG1 2.97Å; T109-L290 HydrophobicContact CG2-CD1 4.34Å; T109-K293 HydrophobicContact CG2-CB 3.7Å; T109-M294 HydrophobicContact CG2-CB 3.83Å
110G85.9Confident90.9Very high14 Ų1426.7 Ų26.714%0.14416%0.159CC..  trans81.3-165.8-170.600000113Y106Y106-G110 WeakPolarHBondContact CB-O 3.44Å; Y106-G110 WeakPolarHBondContact O-CA 3.42Å; Y106-G110 PolarHBondContact O-N 3.44Å
111P90.4Very high91.3Very high59 Ų5925.8 Ų25.838%0.38315%0.149SC..SBendtrans-59.7140.4-176.5-20.430.7000112L214P111-L214 HydrophobicContact CG-CD1 3.58Å; P111-L214 HydrophobicContact CG-CG 4.06Å
112L95.9Very high91.6Very high2 Ų227.9 Ų27.91%0.0116%0.156CC..PPolyproline II helixtrans-71.9150.4174.4-8463.9000110.4Q116 I117 L211 L290L112-Q116 HydrophobicContact CB-CB 4.15Å; L112-Q116 HydrophobicContact CD2-CB 4.23Å; L112-Q116 HydrophobicContact CG-CB 4.32Å; L112-I117 HydrophobicContact CB-CD1 4.23Å; L112-I117 HydrophobicContact CB-CG1 3.68Å; L112-L211 HydrophobicContact CD2-CB 4.42Å; L112-L211 HydrophobicContact CD2-CD1 4.39Å; L112-L211 HydrophobicContact CD2-CD2 4.29Å; L112-L211 PolarHBondContact N-O 2.83Å; L112-L290 HydrophobicContact CD1-CD1 4.23Å; L112-L290 HydrophobicContact CD1-CD2 4.08Å; L112-L290 HydrophobicContact CD2-CD2 3.79Å; L112-L290 HydrophobicContact CG-CD1 4.06Å; L112-L290 HydrophobicContact CG-CD2 3.82Å
113S96.2Very high91.9Very high51 Ų5128.6 Ų28.636%0.35716%0.159SC..PPolyproline II helixtrans-68.5157.5169.766.70000111.4L115 Q116 I117S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 3.34Å; S113-Q116 WeakPolarHBondContact O-CB 3.46Å; S113-Q116 PolarHBondContact O-N 3.01Å; S113-Q116 VanDerWaalsContact O-N 3.08Å; S113-Q116 WeakPolarHBondContact OG-CB 3.48Å; S113-Q116 WeakPolarHBondContact OG-CG 3.12Å; S113-Q116 PolarHBondContact OG-N 2.92Å; S113-Q116 PolarHBondContact OG-OE1 2.79Å; S113-I117 WeakPolarHBondContact O-CG1 3.24Å; S113-I117 PolarHBondContact O-N 2.71Å
114E97.1Very high92.4Very high41 Ų4127.2 Ų27.219%0.19215%0.153CC..Hα-helixtrans-57-40.3-178.6-172.1171.9140.500112.5I117 A118 W246 S247 F250 F276E114-I117 PolarHBondContact O-N 3.37Å; E114-A118 WeakPolarHBondContact O-CB 3.3Å; E114-A118 PolarHBondContact O-N 2.69Å; E114-W246 HydrophobicContact CB-CE3 3.92Å; E114-W246 HydrophobicContact CB-CZ3 3.88Å; E114-W246 HydrophobicContact CG-CE3 4.24Å; E114-S247 WeakPolarHBondContact OE1-CB 3.27Å; E114-S247 PolarHBondContact OE1-OG 3.36Å; E114-S247 PolarHBondContact OE2-N 3.17Å; E114-F250 HydrophobicContact CG-CB 4.19Å; E114-F250 HydrophobicContact CG-CD1 3.95Å; E114-F250 HydrophobicContact CG-CG 4.21Å; E114-F276 HydrophobicContact CG-CE2 3.63Å; E114-F276 HydrophobicContact CG-CZ 4.32Å
115L97.4Very high93.1Very high81 Ų8123.4 Ų23.442%0.42413%0.132SC..Hα-helixtrans-68.6-37.7177.6-66.3177.7000112.5S113 A118 Y119 L282 L286S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 3.34Å; L115-A118 PolarHBondContact O-N 2.98Å; L115-Y119 PolarHBondContact O-N 2.72Å; L115-L282 HydrophobicContact CD2-CD2 4.21Å; L115-L282 WeakPolarHBondContact O-CD2 3.23Å; L115-L286 HydrophobicContact CB-CD1 4.07Å; L115-L286 HydrophobicContact CB-CD2 4.02Å
116Q97.9Very high93.6Very high10 Ų1026.1 Ų26.15%0.04715%0.145CC..Hα-helixtrans-63.6-43.6174.4-75.2167-34.600111L112 S113 Y119 V120 L286L112-Q116 HydrophobicContact CB-CB 4.15Å; L112-Q116 HydrophobicContact CD2-CB 4.23Å; L112-Q116 HydrophobicContact CG-CB 4.32Å; S113-Q116 WeakPolarHBondContact O-CB 3.46Å; S113-Q116 PolarHBondContact O-N 3.01Å; S113-Q116 VanDerWaalsContact O-N 3.08Å; S113-Q116 WeakPolarHBondContact OG-CB 3.48Å; S113-Q116 WeakPolarHBondContact OG-CG 3.12Å; S113-Q116 PolarHBondContact OG-N 2.92Å; S113-Q116 PolarHBondContact OG-OE1 2.79Å; Q116-Y119 PolarHBondContact O-N 3.34Å; Q116-V120 WeakPolarHBondContact O-CG2 3.25Å; Q116-V120 PolarHBondContact O-N 3.32Å; Q116-L286 HydrophobicContact CG-CB 4.01Å; Q116-L286 WeakPolarHBondContact CG-O 3.43Å; Q116-L286 PolarHBondContact NE2-O 3.48Å
117I98.4Very high94Very high0 Ų026 Ų260%015%0.145CC..Hα-helixtrans-61.5-46.5175-62.2171.1000110L112 S113 E114 Y119 V120 C121 L211 A212 W246 F250 F276L112-I117 HydrophobicContact CB-CD1 4.23Å; L112-I117 HydrophobicContact CB-CG1 3.68Å; S113-I117 WeakPolarHBondContact O-CG1 3.24Å; S113-I117 PolarHBondContact O-N 2.71Å; E114-I117 PolarHBondContact O-N 3.37Å; I117-Y119 VanDerWaalsContact C-N 3.34Å; I117-Y119 PolarHBondContact O-N 2.67Å; I117-V120 PolarHBondContact O-N 3.35Å; I117-C121 WeakPolarHBondContact O-CB 3.4Å; I117-C121 PolarHBondContact O-N 2.86Å; I117-C121 PolarHBondContact O-SG 2.71Å; I117-L211 HydrophobicContact CD1-CB 4.15Å; I117-L211 HydrophobicContact CG1-CB 3.89Å; I117-A212 HydrophobicContact CD1-CB 3.79Å; I117-W246 HydrophobicContact CD1-CH2 4.31Å; I117-W246 HydrophobicContact CD1-CZ3 4.38Å; I117-F250 HydrophobicContact CD1-CE1 4.18Å; I117-F250 HydrophobicContact CD1-CZ 4.04Å; I117-F250 HydrophobicContact CG2-CE2 3.98Å; I117-F250 HydrophobicContact CG2-CZ 3.84Å; I117-F276 HydrophobicContact CB-CZ 4.48Å; I117-F276 HydrophobicContact CG2-CE1 4.43Å; I117-F276 HydrophobicContact CG2-CZ 4.19Å
118A98.3Very high94.9Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-58.1-43.7177.800000112.8E114 L115 C121 R122 F276 L282E114-A118 WeakPolarHBondContact O-CB 3.3Å; E114-A118 PolarHBondContact O-N 2.69Å; L115-A118 PolarHBondContact O-N 2.98Å; A118-C121 PolarHBondContact O-N 2.76Å; A118-R122 WeakPolarHBondContact O-CB 3.19Å; A118-R122 PolarHBondContact O-N 3.26Å; A118-F276 HydrophobicContact CB-CD1 4.28Å; A118-F276 HydrophobicContact CB-CD2 4.31Å; A118-F276 HydrophobicContact CB-CE1 3.84Å; A118-F276 HydrophobicContact CB-CE2 3.86Å; A118-F276 HydrophobicContact CB-CG 4.49Å; A118-F276 HydrophobicContact CB-CZ 3.6Å; A118-F276 WeakPolarHBondContact CB-O 3.26Å; A118-L282 HydrophobicContact CB-CD1 3.91Å; A118-L282 HydrophobicContact CB-CD2 3.71Å; A118-L282 HydrophobicContact CB-CG 4.47Å
119Y98.4Very high95.7Very high7 Ų721.3 Ų21.33%0.02712%0.12CC..Hα-helixtrans-60.4-53.3175172.6-107.7000111L115 Q116 I117 C121 R122 E123 G152 V154 L282 R284 A287L115-Y119 PolarHBondContact O-N 2.72Å; Q116-Y119 PolarHBondContact O-N 3.34Å; I117-Y119 VanDerWaalsContact C-N 3.34Å; I117-Y119 PolarHBondContact O-N 2.67Å; Y119-C121 VanDerWaalsContact C-N 3.31Å; Y119-C121 PolarHBondContact O-N 2.88Å; Y119-R122 WeakPolarHBondContact O-CB 3.2Å; Y119-R122 PolarHBondContact O-N 3.33Å; Y119-R122 VanDerWaalsContact O-N 3.15Å; Y119-E123 HydrophobicContact CD2-CG 4.12Å; Y119-E123 HydrophobicContact CE1-CG 4.32Å; Y119-E123 HydrophobicContact CE2-CG 3.73Å; Y119-E123 WeakPolarHBondContact O-CG 3.29Å; Y119-E123 PolarHBondContact O-N 3.27Å; Y119-E123 VanDerWaalsContact O-N 3.08Å; Y119-G152 WeakPolarHBondContact CE1-O 3.22Å; Y119-G152 PolarHBondContact OH-O 3.38Å; Y119-V154 HydrophobicContact CD1-CG2 4.2Å; Y119-V154 HydrophobicContact CE1-CG2 3.63Å; Y119-L282 HydrophobicContact CD2-CB 4.43Å; Y119-R284 WeakPolarHBondContact OH-CA 3.22Å; Y119-R284 WeakPolarHBondContact OH-CB 3.05Å; Y119-A287 HydrophobicContact CD1-CB 4.12Å; Y119-A287 HydrophobicContact CE1-CB 3.66Å
120V98.2Very high96.3Very high4 Ų421.9 Ų21.92%0.02412%0.119CC..Hα-helixtrans-55.9-45.4177.7166.90000111.9L102 Q116 I117 E123 T124 I146 V154 L211L102-V120 HydrophobicContact CD1-CB 4.23Å; L102-V120 HydrophobicContact CD1-CG1 3.35Å; L102-V120 HydrophobicContact CD1-CG2 3.83Å; L102-V120 HydrophobicContact CD2-CG2 4.21Å; Q116-V120 WeakPolarHBondContact O-CG2 3.25Å; Q116-V120 PolarHBondContact O-N 3.32Å; I117-V120 PolarHBondContact O-N 3.35Å; V120-E123 PolarHBondContact O-N 2.77Å; V120-T124 VanDerWaalsContact O-CB 3.25Å; V120-T124 WeakPolarHBondContact O-CB 3.34Å; V120-T124 PolarHBondContact O-N 3.33Å; V120-T124 PolarHBondContact O-OG1 2.8Å; V120-I146 HydrophobicContact CG1-CD1 4.49Å; V120-I146 HydrophobicContact CG1-CG2 4.29Å; V120-V154 HydrophobicContact CG2-CG2 4.36Å; V120-L211 HydrophobicContact CB-CD1 4.39Å; V120-L211 HydrophobicContact CG1-CD1 3.86Å
121C98.4Very high96.4Very high5 Ų521.2 Ų21.23%0.03411%0.112CC..Hα-helixtrans-62.4-42.8179-72.30000111.7I117 A118 Y119 T124 L125 S208 F253 V277I117-C121 WeakPolarHBondContact O-CB 3.4Å; I117-C121 PolarHBondContact O-N 2.86Å; I117-C121 PolarHBondContact O-SG 2.71Å; A118-C121 PolarHBondContact O-N 2.76Å; Y119-C121 VanDerWaalsContact C-N 3.31Å; Y119-C121 PolarHBondContact O-N 2.88Å; C121-T124 PolarHBondContact O-N 2.9Å; C121-L125 WeakPolarHBondContact O-CB 3.49Å; C121-L125 WeakPolarHBondContact O-CG 3.41Å; C121-L125 PolarHBondContact O-N 2.91Å; C121-S208 PolarHBondContact SG-OG 2.9Å; C121-F253 HydrophobicContact CB-CE1 4.22Å; C121-F253 HydrophobicContact CB-CZ 3.95Å; C121-V277 HydrophobicContact CB-CG1 3.95Å
122R98.4Very high96.4Very high51 Ų5119.1 Ų19.119%0.19210%0.097CC..Hα-helixtrans-60.2-51.2177.9-172.3-172.368.2-165.3-6.1111.2A118 Y119 T124 L125 Q126 L272 V277 L282A118-R122 WeakPolarHBondContact O-CB 3.19Å; A118-R122 PolarHBondContact O-N 3.26Å; Y119-R122 WeakPolarHBondContact O-CB 3.2Å; Y119-R122 PolarHBondContact O-N 3.33Å; Y119-R122 VanDerWaalsContact O-N 3.15Å; R122-T124 VanDerWaalsContact C-N 3.34Å; R122-T124 PolarHBondContact O-N 3.44Å; R122-L125 PolarHBondContact O-N 2.86Å; R122-Q126 WeakPolarHBondContact O-CG 3.33Å; R122-Q126 PolarHBondContact O-N 2.92Å; R122-L272 HydrophobicContact CG-CD2 4.03Å; R122-V277 HydrophobicContact CB-CB 3.99Å; R122-V277 HydrophobicContact CB-CG1 4.33Å; R122-V277 WeakPolarHBondContact CD-O 3.4Å; R122-V277 HydrophobicContact CG-CB 4.34Å; R122-L282 VanDerWaalsContact CZ-O 3.29Å; R122-L282 VanDerWaalsContact NH1-CB 3.28Å; R122-L282 PolarHBondContact NH1-O 3.34Å; R122-L282 PolarHBondContact NH2-O 3.33Å
123E98.1Very high96.1Very high15 Ų1525.9 Ų25.97%0.0713%0.132CC..Hα-helixtrans-64.9-39.1-178.9-60.8-54.912100111.8H75 N76 Y119 V120 L125 Q126 G127 V154H75-E123 IonicContact CE1-OE2 3.08Å; H75-E123 PolarHBondContact CE1-OE2 3.07Å; N76-E123 WeakPolarHBondContact CB-O 3.3Å; N76-E123 WeakPolarHBondContact ND2-CB 3.38Å; N76-E123 PolarHBondContact ND2-OE2 3.17Å; N76-E123 PolarHBondContact OD1-O 2.68Å; Y119-E123 HydrophobicContact CD2-CG 4.12Å; Y119-E123 HydrophobicContact CE1-CG 4.32Å; Y119-E123 HydrophobicContact CE2-CG 3.73Å; Y119-E123 WeakPolarHBondContact O-CG 3.29Å; Y119-E123 PolarHBondContact O-N 3.27Å; Y119-E123 VanDerWaalsContact O-N 3.08Å; V120-E123 PolarHBondContact O-N 2.77Å; E123-L125 PolarHBondContact O-N 2.9Å; E123-Q126 PolarHBondContact O-N 2.83Å; E123-Q126 PolarHBondContact OE1-OE1 2.62Å; E123-Q126 PolarHBondContact OE2-OE1 2.82Å; E123-G127 PolarHBondContact O-N 3.47Å; E123-G127 VanDerWaalsContact O-N 3.11Å; E123-V154 HydrophobicContact CB-CB 3.56Å; E123-V154 HydrophobicContact CB-CG1 3.97Å; E123-V154 HydrophobicContact CB-CG2 3.87Å; E123-V154 HydrophobicContact CG-CB 4.05Å; E123-V154 HydrophobicContact CG-CG2 3.91Å
124T98.1Very high95.6Very high2 Ų229.4 Ų29.41%0.01214%0.141CC..Hα-helixtrans-60.8-44.7173-630000111.3V120 C121 R122 Q126 G127 L128 I141 I146 L156 V204V120-T124 VanDerWaalsContact O-CB 3.25Å; V120-T124 WeakPolarHBondContact O-CB 3.34Å; V120-T124 PolarHBondContact O-N 3.33Å; V120-T124 PolarHBondContact O-OG1 2.8Å; C121-T124 PolarHBondContact O-N 2.9Å; R122-T124 VanDerWaalsContact C-N 3.34Å; R122-T124 PolarHBondContact O-N 3.44Å; T124-Q126 PolarHBondContact O-N 2.87Å; T124-G127 PolarHBondContact O-N 3.47Å; T124-L128 HydrophobicContact CG2-CD1 4.1Å; T124-L128 HydrophobicContact CG2-CG 4.45Å; T124-L128 WeakPolarHBondContact O-CG 3.06Å; T124-L128 PolarHBondContact O-N 2.84Å; T124-I141 HydrophobicContact CG2-CG2 4.37Å; T124-I146 HydrophobicContact CG2-CD1 4.37Å; T124-L156 HydrophobicContact CG2-CD2 3.98Å; T124-V204 HydrophobicContact CG2-CG2 3.83Å
125L98.3Very high94.7Very high0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-67.6-32.9179.3-73.8168.7000112.7C121 R122 E123 L128 G129 I201 V204 F253 A268 L271 L272 V277C121-L125 WeakPolarHBondContact O-CB 3.49Å; C121-L125 WeakPolarHBondContact O-CG 3.41Å; C121-L125 PolarHBondContact O-N 2.91Å; R122-L125 PolarHBondContact O-N 2.86Å; E123-L125 PolarHBondContact O-N 2.9Å; L125-L128 PolarHBondContact O-N 3.42Å; L125-G129 PolarHBondContact O-N 3.17Å; L125-I201 HydrophobicContact CD2-CD1 3.86Å; L125-V204 HydrophobicContact CD2-CG1 4.41Å; L125-V204 HydrophobicContact CD2-CG2 4.35Å; L125-F253 HydrophobicContact CD1-CE2 4.06Å; L125-F253 HydrophobicContact CD1-CZ 4.05Å; L125-A268 HydrophobicContact CD2-CB 4.31Å; L125-L271 HydrophobicContact CD1-CB 4.24Å; L125-L271 HydrophobicContact CD1-CD2 3.97Å; L125-L271 HydrophobicContact CD1-CG 3.86Å; L125-L271 HydrophobicContact CD2-CB 4.4Å; L125-L271 HydrophobicContact CD2-CD2 3.84Å; L125-L271 HydrophobicContact CD2-CG 4.39Å; L125-L272 HydrophobicContact CB-CD2 3.59Å; L125-L272 HydrophobicContact CB-CG 3.87Å; L125-L272 HydrophobicContact CD1-CD2 4.45Å; L125-V277 HydrophobicContact CD1-CG1 4.49Å
126Q97.7Very high93.9Very high57 Ų5728 Ų2827%0.26615%0.148SC..Hα-helixtrans-63.7-47.1172.2-73.4168.1-25.600111.1N76 R122 E123 T124 L128 G129 Y130 L272N76-Q126 VanDerWaalsContact OD1-CB 3.27Å; N76-Q126 WeakPolarHBondContact OD1-CB 3.4Å; N76-Q126 PolarHBondContact OD1-OE1 2.9Å; R122-Q126 WeakPolarHBondContact O-CG 3.33Å; R122-Q126 PolarHBondContact O-N 2.92Å; E123-Q126 PolarHBondContact O-N 2.83Å; E123-Q126 PolarHBondContact OE1-OE1 2.62Å; E123-Q126 PolarHBondContact OE2-OE1 2.82Å; T124-Q126 PolarHBondContact O-N 2.87Å; Q126-L128 PolarHBondContact O-N 3.27Å; Q126-G129 PolarHBondContact O-N 3.46Å; Q126-Y130 PolarHBondContact O-N 2.79Å; Q126-Y130 VanDerWaalsContact O-N 3.13Å; Q126-L272 HydrophobicContact CG-CD1 4.2Å; Q126-L272 HydrophobicContact CG-CD2 3.93Å
127G95.4Very high93Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-59.5-45.5173.700000113.1E123 T124 Y130 L131E123-G127 PolarHBondContact O-N 3.47Å; E123-G127 VanDerWaalsContact O-N 3.11Å; T124-G127 PolarHBondContact O-N 3.47Å; G127-Y130 PolarHBondContact O-N 3.36Å; G127-L131 WeakPolarHBondContact O-CG 3.15Å; G127-L131 PolarHBondContact O-N 3.21Å; G127-L131 VanDerWaalsContact O-N 3.15Å
128L94.2Very high92.3Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-64.9-40.1176.2-72.6177.7000112.5T124 L125 Q126 Y130 L131 H132 H138 I141 L156 D200 V204 A268T124-L128 HydrophobicContact CG2-CD1 4.1Å; T124-L128 HydrophobicContact CG2-CG 4.45Å; T124-L128 WeakPolarHBondContact O-CG 3.06Å; T124-L128 PolarHBondContact O-N 2.84Å; L125-L128 PolarHBondContact O-N 3.42Å; Q126-L128 PolarHBondContact O-N 3.27Å; L128-Y130 VanDerWaalsContact C-N 3.31Å; L128-Y130 PolarHBondContact O-N 2.9Å; L128-L131 HydrophobicContact CD2-CD1 4.2Å; L128-L131 PolarHBondContact O-N 3.48Å; L128-H132 WeakPolarHBondContact O-CB 3.33Å; L128-H132 PolarHBondContact O-CD2 2.84Å; L128-H132 PolarHBondContact O-N 3.38Å; L128-H138 HydrophobicContact CD2-CB 3.98Å; L128-I141 HydrophobicContact CD1-CG1 4.37Å; L128-I141 HydrophobicContact CD2-CD1 3.9Å; L128-I141 HydrophobicContact CD2-CG1 4.11Å; L128-I141 HydrophobicContact CG-CD1 4.45Å; L128-L156 HydrophobicContact CD2-CD1 4.31Å; L128-L156 HydrophobicContact CG-CD1 4.25Å; L128-D200 HydrophobicContact CD1-CB 3.99Å; L128-D200 HydrophobicContact CD2-CB 3.87Å; L128-V204 HydrophobicContact CD1-CG2 3.52Å; L128-A268 HydrophobicContact CB-CB 4.32Å
129G95.1Very high91.4Very high12 Ų1232.9 Ų32.912%0.12417%0.168CC..Hα-helixtrans-56.6-45.8175.700000111.8L125 Q126 H132 I133L125-G129 PolarHBondContact O-N 3.17Å; Q126-G129 PolarHBondContact O-N 3.46Å; G129-H132 PolarHBondContact O-N 2.96Å; G129-I133 WeakPolarHBondContact O-CD1 3.39Å; G129-I133 VanDerWaalsContact O-CG1 3.28Å; G129-I133 WeakPolarHBondContact O-CG1 3.19Å; G129-I133 PolarHBondContact O-N 3.27Å; G129-I133 VanDerWaalsContact O-N 3.08Å
130Y94.1Very high90.6Very high48 Ų4833.5 Ų33.519%0.18817%0.172CC..Hα-helixtrans-59.1-47.9173.8172.3-92.1000112.5E71 C72 K73 H74 I77 Q126 G127 L128 H132 I133 K134E71-Y130 PolarHBondContact O-OH 3.03Å; C72-Y130 HydrophobicContact CB-CE1 4.04Å; K73-Y130 PolarHBondContact N-OH 3.48Å; H74-Y130 HydrophobicContact CB-CD1 3.88Å; H74-Y130 HydrophobicContact CB-CD2 4.24Å; H74-Y130 HydrophobicContact CB-CE1 4.24Å; H74-Y130 HydrophobicContact CB-CG 3.89Å; H74-Y130 AromaticContact CD2-CD2 3.87Å; H74-Y130 AromaticContact CD2-CG 3.82Å; H74-Y130 AromaticContact CG-CG 3.95Å; I77-Y130 HydrophobicContact CD1-CD1 3.54Å; I77-Y130 HydrophobicContact CD1-CE1 3.97Å; Q126-Y130 PolarHBondContact O-N 2.79Å; Q126-Y130 VanDerWaalsContact O-N 3.13Å; G127-Y130 PolarHBondContact O-N 3.36Å; L128-Y130 VanDerWaalsContact C-N 3.31Å; L128-Y130 PolarHBondContact O-N 2.9Å; Y130-H132 PolarHBondContact O-N 3.17Å; Y130-I133 PolarHBondContact O-N 2.89Å; Y130-K134 HydrophobicContact CE1-CG 4.31Å; Y130-K134 HydrophobicContact CE2-CG 4.45Å; Y130-K134 WeakPolarHBondContact O-CG 3.39Å; Y130-K134 PolarHBondContact O-N 2.66Å
131L89.1Confident90.2Very high1 Ų133.3 Ų33.31%0.00517%0.171CC..Hα-helixtrans-61.2-45.6179.1-68.4173.5000111.9I77 G127 L128 I133 K134 G135 K136 H138 F159I77-L131 HydrophobicContact CD1-CD2 3.66Å; I77-L131 HydrophobicContact CD1-CG 3.9Å; G127-L131 WeakPolarHBondContact O-CG 3.15Å; G127-L131 PolarHBondContact O-N 3.21Å; G127-L131 VanDerWaalsContact O-N 3.15Å; L128-L131 HydrophobicContact CD2-CD1 4.2Å; L128-L131 PolarHBondContact O-N 3.48Å; L131-I133 VanDerWaalsContact C-N 3.33Å; L131-I133 PolarHBondContact O-N 3.21Å; L131-K134 CarbonylContact O-C 3.59Å; L131-K134 WeakPolarHBondContact O-CA 3.47Å; L131-K134 WeakPolarHBondContact O-CB 3.36Å; L131-K134 PolarHBondContact O-N 3.27Å; L131-G135 PolarHBondContact O-N 3.07Å; L131-K136 CarbonylContact C-O 3.4Å; L131-K136 HydrophobicContact CB-CB 4.29Å; L131-K136 HydrophobicContact CD2-CB 4.29Å; L131-K136 PolarHBondContact O-N 3.49Å; L131-H138 HydrophobicContact CD1-CB 4.32Å; L131-F159 HydrophobicContact CD1-CD1 3.98Å; L131-F159 HydrophobicContact CD1-CE1 3.69Å; L131-F159 HydrophobicContact CD2-CD1 4.46Å; L131-F159 HydrophobicContact CD2-CE1 4.23Å
132H89.9Confident89.9Confident15 Ų1534.7 Ų34.77%0.06918%0.176CC..Hα-helixtrans-65.4-37.6-176.3-67.6-174.2000111.3L128 G129 Y130 K134 G135 K136 Q197 D200L128-H132 WeakPolarHBondContact O-CB 3.33Å; L128-H132 PolarHBondContact O-CD2 2.84Å; L128-H132 PolarHBondContact O-N 3.38Å; G129-H132 PolarHBondContact O-N 2.96Å; Y130-H132 PolarHBondContact O-N 3.17Å; H132-K134 VanDerWaalsContact C-N 3.26Å; H132-K134 PolarHBondContact O-N 2.75Å; H132-G135 PolarHBondContact O-N 2.83Å; H132-K136 PolarHBondContact CD2-O 3.47Å; H132-Q197 HydrophobicContact CB-CG 4.28Å; H132-Q197 PolarHBondContact CE1-O 2.87Å; H132-Q197 PolarHBondContact NE2-O 2.93Å; H132-D200 IonicContact CD2-OD2 2.67Å; H132-D200 IonicContact CE1-OD2 3.19Å; H132-D200 IonicContact NE2-OD2 3.35Å; H132-D200 PolarHBondContact NE2-OD2 2.71Å
133I90.4Very high89.6Confident144 Ų14432.3 Ų32.374%0.73817%0.167SC*.Hα-helixtrans-62.7-35.3172.8-70.6165.5000111.3G129 Y130 L131 G135G129-I133 WeakPolarHBondContact O-CD1 3.39Å; G129-I133 VanDerWaalsContact O-CG1 3.28Å; G129-I133 WeakPolarHBondContact O-CG1 3.19Å; G129-I133 PolarHBondContact O-N 3.27Å; G129-I133 VanDerWaalsContact O-N 3.08Å; Y130-I133 PolarHBondContact O-N 2.89Å; L131-I133 VanDerWaalsContact C-N 3.33Å; L131-I133 PolarHBondContact O-N 3.21Å; I133-G135 PolarHBondContact O-N 2.75Å
134K84.7Confident89.1Confident124 Ų12432.8 Ų32.854%0.53917%0.174SC..THydrogen-bonded Turntrans-79.55.2175.1-68.7-74.7-176.4176.20113.4Y130 L131 H132 K136Y130-K134 HydrophobicContact CE1-CG 4.31Å; Y130-K134 HydrophobicContact CE2-CG 4.45Å; Y130-K134 WeakPolarHBondContact O-CG 3.39Å; Y130-K134 PolarHBondContact O-N 2.66Å; L131-K134 CarbonylContact O-C 3.59Å; L131-K134 WeakPolarHBondContact O-CA 3.47Å; L131-K134 WeakPolarHBondContact O-CB 3.36Å; L131-K134 PolarHBondContact O-N 3.27Å; H132-K134 VanDerWaalsContact C-N 3.26Å; H132-K134 PolarHBondContact O-N 2.75Å; K134-K136 HydrophobicContact CB-CD 4.35Å; K134-K136 HydrophobicContact CB-CG 4.36Å; K134-K136 PolarHBondContact O-N 3.34Å
135G79.4Confident88.7Confident61 Ų6133.1 Ų33.163%0.62918%0.176SC*.THydrogen-bonded Turntrans69.320.6-177.400000113.9L131 H132 I133L131-G135 PolarHBondContact O-N 3.07Å; H132-G135 PolarHBondContact O-N 2.83Å; I133-G135 PolarHBondContact O-N 2.75Å
136K79.6Confident88.6Confident31 Ų3133.2 Ų33.214%0.13518%0.176CC..  trans-105150.1-178.6-64178.3177.8-178.80110.5M68 E71 L131 H132 K134M68-K136 HydrophobicContact CG-CD 3.82Å; M68-K136 HydrophobicContact CG-CG 4.31Å; M68-K136 PolarHBondContact O-NZ 2.78Å; E71-K136 IonicContact OE2-NZ 3.86Å; E71-K136 PolarHBondContact OE2-NZ 2.87Å; L131-K136 CarbonylContact C-O 3.4Å; L131-K136 HydrophobicContact CB-CB 4.29Å; L131-K136 HydrophobicContact CD2-CB 4.29Å; L131-K136 PolarHBondContact O-N 3.49Å; H132-K136 PolarHBondContact CD2-O 3.47Å; K134-K136 HydrophobicContact CB-CD 4.35Å; K134-K136 HydrophobicContact CB-CG 4.36Å; K134-K136 PolarHBondContact O-N 3.34Å
137M78.9Confident88.4Confident42 Ų4232.1 Ų32.121%0.20717%0.172CC..  trans-125.3141.7177.2-64.2-176.5-90.700109.6R139 Y195 Q197M137-R139 HydrophobicContact CB-CG 3.9Å; M137-R139 VanDerWaalsContact CE-NH2 3.33Å; M137-Y195 HydrophobicContact SD-CE2 4.5Å; M137-Q197 HydrophobicContact CG-CB 3.62Å; M137-Q197 VanDerWaalsContact SD-CA 3.57Å; M137-Q197 HydrophobicContact SD-CB 4.16Å; M137-Q197 PolarHBondContact SD-N 2.89Å
138H83.8Confident88.4Confident0 Ų032.2 Ų32.20%017%0.172CC..  trans-81.3-44.5178.5-169.4-56.9000112.7L128 L131 D140 I141 A157 D158 F159 G160 D200L128-H138 HydrophobicContact CD2-CB 3.98Å; L131-H138 HydrophobicContact CD1-CB 4.32Å; H138-D140 PolarHBondContact ND1-N 3.09Å; H138-D140 PolarHBondContact O-N 3.26Å; H138-D140 VanDerWaalsContact O-N 3.15Å; H138-I141 HydrophobicContact CB-CD1 3.83Å; H138-I141 HydrophobicContact CB-CG1 3.98Å; H138-I141 VanDerWaalsContact CD2-CD1 3.41Å; H138-I141 WeakPolarHBondContact CD2-CD1 3.29Å; H138-I141 VanDerWaalsContact CG-CD1 3.43Å; H138-A157 PolarHBondContact CE1-O 3.42Å; H138-A157 PolarHBondContact NE2-O 3.47Å; H138-D158 PolarHBondContact CE1-O 3.13Å; H138-D158 VanDerWaalsContact CE1-O 3.23Å; H138-F159 AromaticContact CD2-CD1 3.49Å; H138-F159 VanDerWaalsContact CD2-CD1 3.49Å; H138-F159 WeakPolarHBondContact CD2-CD1 3.36Å; H138-F159 AromaticContact CD2-CE1 3.67Å; H138-F159 AromaticContact NE2-CD1 3.94Å; H138-G160 WeakPolarHBondContact O-CA 3.15Å; H138-G160 PolarHBondContact O-N 2.99Å; H138-D200 PolarHBondContact N-OD1 2.96Å; H138-D200 PolarHBondContact N-OD2 3.15Å
139R79.3Confident88.4Confident71 Ų7132.8 Ų32.827%0.26818%0.176SC..  trans67.6-0.8175.5-52.7176.6170.8-167.8-9.8117.9M137 Y195 D200M137-R139 HydrophobicContact CB-CG 3.9Å; M137-R139 VanDerWaalsContact CE-NH2 3.33Å; R139-Y195 HydrophobicContact CG-CE2 4.41Å; R139-D200 PolarHBondContact N-OD1 3.04Å
140D81.3Confident88.1Confident20 Ų2037.3 Ų37.311%0.10720%0.197CC..  trans-149.147.8179.4-161.937.3000110.7H138 K142 N145 T178H138-D140 PolarHBondContact ND1-N 3.09Å; H138-D140 PolarHBondContact O-N 3.26Å; H138-D140 VanDerWaalsContact O-N 3.15Å; D140-K142 PolarHBondContact O-N 3.22Å; D140-K142 IonicContact OD1-NZ 3.47Å; D140-K142 PolarHBondContact OD1-NZ 2.79Å; D140-K142 WeakPolarHBondContact OD2-CE 3.25Å; D140-K142 IonicContact OD2-NZ 3.26Å; D140-K142 PolarHBondContact OD2-NZ 3.47Å; D140-N145 PolarHBondContact O-ND2 3.32Å; D140-N145 PolarHBondContact OD2-ND2 3.04Å; D140-T178 PolarHBondContact OD1-OG1 3.02Å
141I91.2Very high88.1Confident1 Ų139.7 Ų39.71%0.00521%0.213CC..  trans-73.1119.7174.1-63.1-66.8000109T124 L128 H138 I146 L156 D200 A203 V204 T207T124-I141 HydrophobicContact CG2-CG2 4.37Å; L128-I141 HydrophobicContact CD1-CG1 4.37Å; L128-I141 HydrophobicContact CD2-CD1 3.9Å; L128-I141 HydrophobicContact CD2-CG1 4.11Å; L128-I141 HydrophobicContact CG-CD1 4.45Å; H138-I141 HydrophobicContact CB-CD1 3.83Å; H138-I141 HydrophobicContact CB-CG1 3.98Å; H138-I141 VanDerWaalsContact CD2-CD1 3.41Å; H138-I141 WeakPolarHBondContact CD2-CD1 3.29Å; H138-I141 VanDerWaalsContact CG-CD1 3.43Å; I141-I146 HydrophobicContact CG2-CD1 4.43Å; I141-L156 HydrophobicContact CD1-CD1 4.39Å; I141-L156 HydrophobicContact CD1-CD2 4.09Å; I141-D200 HydrophobicContact CG1-CB 4.44Å; I141-A203 HydrophobicContact CB-CB 3.8Å; I141-A203 HydrophobicContact CG2-CB 4.37Å; I141-V204 HydrophobicContact CG2-CG2 4.06Å; I141-T207 PolarHBondContact O-OG1 3.46Å
142K91.4Very high88.2Confident34 Ų3439.7 Ų39.715%0.14821%0.213CC..SBendtrans-162.5164.3178.759.7-173.5175.4-160.40109.5D140 A144 N145 I146 T178 W181 T207D140-K142 PolarHBondContact O-N 3.22Å; D140-K142 IonicContact OD1-NZ 3.47Å; D140-K142 PolarHBondContact OD1-NZ 2.79Å; D140-K142 WeakPolarHBondContact OD2-CE 3.25Å; D140-K142 IonicContact OD2-NZ 3.26Å; D140-K142 PolarHBondContact OD2-NZ 3.47Å; K142-A144 HydrophobicContact CD-CB 4.31Å; K142-A144 HydrophobicContact CG-CB 4.19Å; K142-A144 PolarHBondContact O-N 2.82Å; K142-A144 VanDerWaalsContact O-N 3.09Å; K142-N145 WeakPolarHBondContact CE-ND2 3.25Å; K142-N145 WeakPolarHBondContact CE-OD1 3.38Å; K142-N145 HydrophobicContact CG-CB 4.24Å; K142-N145 PolarHBondContact O-N 2.86Å; K142-I146 PolarHBondContact O-N 3.24Å; K142-T178 HydrophobicContact CD-CG2 4.45Å; K142-T178 PolarHBondContact NZ-OG1 2.87Å; K142-W181 HydrophobicContact CB-CD2 4.07Å; K142-W181 HydrophobicContact CB-CG 4.12Å; K142-W181 HydrophobicContact CB-CZ2 4.22Å; K142-T207 WeakPolarHBondContact CA-OG1 3.26Å
143G91.1Very high88.6Confident0 Ų041.6 Ų41.60%022%0.224CC..G310 helixtrans-56.1-28.5179.900000114.7L102 Q103 N145 E210L102-G143 PolarHBondContact N-O 2.88Å; Q103-G143 PolarHBondContact N-O 2.81Å; Q103-G143 VanDerWaalsContact N-O 3.08Å; G143-N145 VanDerWaalsContact C-N 3.32Å; G143-N145 PolarHBondContact O-N 3.02Å; G143-E210 WeakPolarHBondContact CA-OE1 3.36Å; G143-E210 PolarHBondContact N-OE1 2.89Å; G143-E210 PolarHBondContact N-OE2 3.45Å
144A88.1Confident88.9Confident26 Ų2634.7 Ų34.722%0.21519%0.189CC..G310 helixtrans-71.2-23176.800000114.1S101 Q103 K142S101-A144 WeakPolarHBondContact CB-O 3.46Å; Q103-A144 HydrophobicContact CB-CB 4.15Å; K142-A144 HydrophobicContact CD-CB 4.31Å; K142-A144 HydrophobicContact CG-CB 4.19Å; K142-A144 PolarHBondContact O-N 2.82Å; K142-A144 VanDerWaalsContact O-N 3.09Å
145N90.3Very high89.4Confident8 Ų829.8 Ų29.84%0.04317%0.167CC..G310 helixtrans-106.35.2-176.5-67.80.7000112.6D140 K142 G143 A157D140-N145 PolarHBondContact O-ND2 3.32Å; D140-N145 PolarHBondContact OD2-ND2 3.04Å; K142-N145 WeakPolarHBondContact CE-ND2 3.25Å; K142-N145 WeakPolarHBondContact CE-OD1 3.38Å; K142-N145 HydrophobicContact CG-CB 4.24Å; K142-N145 PolarHBondContact O-N 2.86Å; G143-N145 VanDerWaalsContact C-N 3.32Å; G143-N145 PolarHBondContact O-N 3.02Å; N145-A157 PolarHBondContact O-N 3.16Å
146I95.3Very high90.1Very high2 Ų226.9 Ų26.91%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-110.1114.3173.5-57.6171.5000106.9S101 L102 V120 T124 I141 K142 V154 L156 T207S101-I146 WeakPolarHBondContact CA-O 3.38Å; L102-I146 HydrophobicContact CD1-CB 3.85Å; L102-I146 HydrophobicContact CD1-CD1 4.47Å; L102-I146 HydrophobicContact CD1-CG2 3.48Å; L102-I146 VanDerWaalsContact CD1-CG2 3.48Å; L102-I146 HydrophobicContact CG-CB 4.31Å; L102-I146 HydrophobicContact CG-CG2 4.08Å; L102-I146 PolarHBondContact N-O 2.8Å; V120-I146 HydrophobicContact CG1-CD1 4.49Å; V120-I146 HydrophobicContact CG1-CG2 4.29Å; T124-I146 HydrophobicContact CG2-CD1 4.37Å; I141-I146 HydrophobicContact CG2-CD1 4.43Å; K142-I146 PolarHBondContact O-N 3.24Å; I146-V154 HydrophobicContact CG2-CG1 3.48Å; I146-V154 VanDerWaalsContact CG2-CG1 3.48Å; I146-L156 HydrophobicContact CG1-CD2 3.93Å; I146-T207 HydrophobicContact CD1-CG2 3.84Å
147L94.8Very high90.4Very high35 Ų3525.6 Ų25.618%0.18313%0.133CC..EExtended strand (participates in β ladder)trans-105.1153.6-174.7-49.7-175.9000111.5V78 C97 G100 V154 K155 A157V78-L147 HydrophobicContact CG2-CD1 4.17Å; C97-L147 HydrophobicContact CB-CB 3.69Å; C97-L147 HydrophobicContact CB-CD1 3.98Å; C97-L147 HydrophobicContact CB-CG 4.49Å; G100-L147 CarbonylContact O-C 3.41Å; G100-L147 VanDerWaalsContact O-CA 3.27Å; G100-L147 WeakPolarHBondContact O-CA 3.25Å; L147-V154 WeakPolarHBondContact O-CA 3.47Å; L147-K155 HydrophobicContact CB-CB 4.43Å; L147-K155 PolarHBondContact N-O 2.79Å; L147-K155 PolarHBondContact O-N 2.96Å; L147-A157 HydrophobicContact CD1-CB 3.54Å; L147-A157 HydrophobicContact CG-CB 3.77Å
148L95.1Very high90.3Very high1 Ų126.6 Ų26.61%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-110.4135.8168.9-65.7-171.2000111.5C97 G99 G100 L102 I105 D153 V154 A287 L291C97-L148 CarbonylContact C-O 3.47Å; C97-L148 WeakPolarHBondContact CB-O 3.49Å; G99-L148 VanDerWaalsContact CA-O 3.23Å; G99-L148 WeakPolarHBondContact CA-O 3.32Å; G99-L148 PolarHBondContact N-O 2.87Å; G100-L148 PolarHBondContact O-N 2.82Å; L102-L148 HydrophobicContact CD2-CD1 3.91Å; L102-L148 HydrophobicContact CD2-CD2 4.24Å; L102-L148 HydrophobicContact CD2-CG 3.89Å; I105-L148 HydrophobicContact CD1-CB 4.11Å; I105-L148 HydrophobicContact CD1-CD1 3.51Å; I105-L148 HydrophobicContact CD1-CG 3.82Å; L148-D153 WeakPolarHBondContact CA-O 3.33Å; L148-V154 HydrophobicContact CD2-CB 4.34Å; L148-V154 HydrophobicContact CD2-CG2 3.67Å; L148-A287 HydrophobicContact CD1-CB 4.09Å; L148-A287 HydrophobicContact CD2-CB 4.33Å; L148-L291 HydrophobicContact CB-CD2 4.43Å; L148-L291 HydrophobicContact CD1-CD2 4.2Å; L148-L291 HydrophobicContact CD1-CG 4.32Å
149T93.3Very high89.6Confident12 Ų1227 Ų277%0.07414%0.141CC..  trans-75.6165.2164.471.60000110.2N151 G152 D153 K155 L291T149-N151 PolarHBondContact O-N 3.43Å; T149-N151 VanDerWaalsContact O-N 3.08Å; T149-N151 PolarHBondContact OG1-N 3.4Å; T149-G152 PolarHBondContact O-N 2.81Å; T149-D153 HydrophobicContact CG2-CB 4Å; T149-D153 PolarHBondContact N-O 3Å; T149-D153 WeakPolarHBondContact OG1-CB 3.41Å; T149-D153 PolarHBondContact OG1-N 2.88Å; T149-D153 PolarHBondContact OG1-OD2 3.39Å; T149-D153 VanDerWaalsContact OG1-OD2 3.13Å; T149-K155 HydrophobicContact CG2-CG 3.93Å; T149-L291 WeakPolarHBondContact O-CD1 3.48Å
150D89.6Confident88.5Confident107 Ų10724 Ų2457%0.57213%0.132SC*.THydrogen-bonded Turntrans-60.2-20174.7-59.3-48.3000112.9G98G98-D150 VanDerWaalsContact C-OD1 3.24Å; G98-D150 WeakPolarHBondContact CA-OD1 3.37Å
151N92.8Very high87Confident99 Ų9923.4 Ų23.453%0.52913%0.129SC..THydrogen-bonded Turntrans-89.8-0.4177.8-63-37.2000113.5T149 R284T149-N151 PolarHBondContact O-N 3.43Å; T149-N151 VanDerWaalsContact O-N 3.08Å; T149-N151 PolarHBondContact OG1-N 3.4Å; N151-R284 WeakPolarHBondContact O-CD 3.33Å
152G92.9Very high84.8Confident0 Ų024.5 Ų24.50%014%0.138CC..  trans8019.1-176.700000114.7Y119 T149 A287Y119-G152 WeakPolarHBondContact CE1-O 3.22Å; Y119-G152 PolarHBondContact OH-O 3.38Å; T149-G152 PolarHBondContact O-N 2.81Å; G152-A287 WeakPolarHBondContact O-CB 3.28Å
153D96.5Very high82.4Confident55 Ų5523.4 Ų23.429%0.29414%0.135SC..  trans-79.6137.7172.6-51.4-58.6000110L148 T149L148-D153 WeakPolarHBondContact CA-O 3.33Å; T149-D153 HydrophobicContact CG2-CB 4Å; T149-D153 PolarHBondContact N-O 3Å; T149-D153 WeakPolarHBondContact OG1-CB 3.41Å; T149-D153 PolarHBondContact OG1-N 2.88Å; T149-D153 PolarHBondContact OG1-OD2 3.39Å; T149-D153 VanDerWaalsContact OG1-OD2 3.13Å
154V97.8Very high80Confident0 Ų028 Ų280%016%0.155CC..EExtended strand (participates in β ladder)trans-93.4128.8-178.5-179.90000110.1N76 Y119 V120 E123 I146 L147 L148N76-V154 VanDerWaalsContact CA-O 3.31Å; N76-V154 WeakPolarHBondContact CA-O 3.49Å; N76-V154 PolarHBondContact ND2-O 3.17Å; Y119-V154 HydrophobicContact CD1-CG2 4.2Å; Y119-V154 HydrophobicContact CE1-CG2 3.63Å; V120-V154 HydrophobicContact CG2-CG2 4.36Å; E123-V154 HydrophobicContact CB-CB 3.56Å; E123-V154 HydrophobicContact CB-CG1 3.97Å; E123-V154 HydrophobicContact CB-CG2 3.87Å; E123-V154 HydrophobicContact CG-CB 4.05Å; E123-V154 HydrophobicContact CG-CG2 3.91Å; I146-V154 HydrophobicContact CG2-CG1 3.48Å; I146-V154 VanDerWaalsContact CG2-CG1 3.48Å; L147-V154 WeakPolarHBondContact O-CA 3.47Å; L148-V154 HydrophobicContact CD2-CB 4.34Å; L148-V154 HydrophobicContact CD2-CG2 3.67Å
155K95.6Very high77.7Confident20 Ų2027.4 Ų27.49%0.08715%0.148CC..EExtended strand (participates in β ladder)trans-128.7128.1-175-61.3-77.4-176.5152.60111.3H75 V78 E95 L147 T149H75-K155 WeakPolarHBondContact O-CD 3.32Å; H75-K155 WeakPolarHBondContact O-CE 3.45Å; H75-K155 PolarHBondContact O-NZ 2.78Å; V78-K155 HydrophobicContact CG2-CB 3.73Å; E95-K155 VanDerWaalsContact CD-NZ 3.26Å; E95-K155 VanDerWaalsContact OE1-CE 3.28Å; E95-K155 WeakPolarHBondContact OE1-CE 3.37Å; E95-K155 IonicContact OE1-NZ 2.94Å; E95-K155 PolarHBondContact OE1-NZ 2.87Å; E95-K155 IonicContact OE2-NZ 3.92Å; E95-K155 PolarHBondContact OE2-NZ 2.97Å; L147-K155 HydrophobicContact CB-CB 4.43Å; L147-K155 PolarHBondContact N-O 2.79Å; L147-K155 PolarHBondContact O-N 2.96Å; T149-K155 HydrophobicContact CG2-CG 3.93Å
156L92.6Very high75.3Confident0 Ų027.7 Ų27.70%015%0.151CC..EExtended strand (participates in β ladder)trans-80.3128.8170.4-59.6-179.3000110.1N76 V78 T124 L128 I141 I146 F159N76-L156 WeakPolarHBondContact O-CB 3.46Å; N76-L156 WeakPolarHBondContact O-CG 3.22Å; N76-L156 PolarHBondContact O-N 3.25Å; V78-L156 WeakPolarHBondContact CG2-O 3.23Å; V78-L156 PolarHBondContact N-O 3.3Å; T124-L156 HydrophobicContact CG2-CD2 3.98Å; L128-L156 HydrophobicContact CD2-CD1 4.31Å; L128-L156 HydrophobicContact CG-CD1 4.25Å; I141-L156 HydrophobicContact CD1-CD1 4.39Å; I141-L156 HydrophobicContact CD1-CD2 4.09Å; I146-L156 HydrophobicContact CG1-CD2 3.93Å; L156-F159 HydrophobicContact CB-CE1 4.1Å; L156-F159 HydrophobicContact CB-CZ 3.93Å; L156-F159 WeakPolarHBondContact O-CE2 3.45Å; L156-F159 VanDerWaalsContact O-CZ 3.23Å; L156-F159 WeakPolarHBondContact O-CZ 3.46Å
157A87.5Confident72.7Confident5 Ų530.6 Ų30.64%0.04117%0.174CC..  trans-125.7169.7179.500000110.7V78 H138 N145 L147 F159V78-A157 HydrophobicContact CG2-CB 3.82Å; H138-A157 PolarHBondContact CE1-O 3.42Å; H138-A157 PolarHBondContact NE2-O 3.47Å; N145-A157 PolarHBondContact O-N 3.16Å; L147-A157 HydrophobicContact CD1-CB 3.54Å; L147-A157 HydrophobicContact CG-CB 3.77Å; A157-F159 PolarHBondContact O-N 2.76Å
158D76.1Confident70.1Confident62 Ų6232.3 Ų32.333%0.33219%0.186SC..  trans52.452.2173.9-76.1-15.7000113.8K49 H138 G160K49-D158 IonicContact NZ-OD1 2.69Å; K49-D158 PolarHBondContact NZ-OD1 2.9Å; K49-D158 IonicContact NZ-OD2 3.61Å; H138-D158 PolarHBondContact CE1-O 3.13Å; H138-D158 VanDerWaalsContact CE1-O 3.23Å; D158-G160 PolarHBondContact O-N 3.09Å
159F69.2Low67.4Low9 Ų936.1 Ų36.14%0.03921%0.206CC..  trans-52.9124.4171.6-58.8-83.6000109.3V69 I77 L131 H138 L156 A157 V161V69-F159 HydrophobicContact CG1-CD2 4.18Å; V69-F159 HydrophobicContact CG1-CE2 4.28Å; V69-F159 HydrophobicContact CG2-CB 4.13Å; V69-F159 HydrophobicContact CG2-CD2 3.59Å; V69-F159 HydrophobicContact CG2-CE2 4.45Å; V69-F159 HydrophobicContact CG2-CG 4.12Å; I77-F159 HydrophobicContact CB-CZ 4.08Å; I77-F159 HydrophobicContact CD1-CE1 4.44Å; I77-F159 HydrophobicContact CD1-CZ 4.41Å; I77-F159 HydrophobicContact CG1-CE1 4.27Å; I77-F159 HydrophobicContact CG1-CZ 3.92Å; I77-F159 HydrophobicContact CG2-CE1 4.38Å; I77-F159 HydrophobicContact CG2-CE2 3.81Å; I77-F159 HydrophobicContact CG2-CZ 3.41Å; I77-F159 VanDerWaalsContact CG2-CZ 3.41Å; L131-F159 HydrophobicContact CD1-CD1 3.98Å; L131-F159 HydrophobicContact CD1-CE1 3.69Å; L131-F159 HydrophobicContact CD2-CD1 4.46Å; L131-F159 HydrophobicContact CD2-CE1 4.23Å; H138-F159 AromaticContact CD2-CD1 3.49Å; H138-F159 VanDerWaalsContact CD2-CD1 3.49Å; H138-F159 WeakPolarHBondContact CD2-CD1 3.36Å; H138-F159 AromaticContact CD2-CE1 3.67Å; H138-F159 AromaticContact NE2-CD1 3.94Å; L156-F159 HydrophobicContact CB-CE1 4.1Å; L156-F159 HydrophobicContact CB-CZ 3.93Å; L156-F159 WeakPolarHBondContact O-CE2 3.45Å; L156-F159 VanDerWaalsContact O-CZ 3.23Å; L156-F159 WeakPolarHBondContact O-CZ 3.46Å; A157-F159 PolarHBondContact O-N 2.76Å; F159-V161 VanDerWaalsContact C-N 3.29Å; F159-V161 WeakPolarHBondContact O-CG2 3.29Å; F159-V161 PolarHBondContact O-N 3.45Å
160G55.6Low64.9Low8 Ų836.9 Ų36.98%0.08221%0.214CC..SBendtrans-63.467.9-154.300000117.8H138 D158 A163H138-G160 WeakPolarHBondContact O-CA 3.15Å; H138-G160 PolarHBondContact O-N 2.99Å; D158-G160 PolarHBondContact O-N 3.09Å; G160-A163 PolarHBondContact O-N 3.11Å
161V49.9Very low62.3Low7 Ų741.3 Ų41.34%0.04223%0.228CC..  trans-81.6-27.6175.8-176.20000110.8E65 M68 F159 A163 K164 I165E65-V161 HydrophobicContact CB-CB 3.75Å; E65-V161 HydrophobicContact CB-CG1 3.45Å; E65-V161 VanDerWaalsContact CB-CG1 3.45Å; E65-V161 HydrophobicContact CB-CG2 3.27Å; E65-V161 HydrophobicContact CG-CB 3.66Å; E65-V161 HydrophobicContact CG-CG1 3.91Å; E65-V161 HydrophobicContact CG-CG2 3.08Å; E65-V161 WeakPolarHBondContact OE1-CB 3.27Å; E65-V161 WeakPolarHBondContact OE1-CG2 3.26Å; E65-V161 WeakPolarHBondContact OE2-CB 3.04Å; E65-V161 WeakPolarHBondContact OE2-CG1 3.43Å; M68-V161 HydrophobicContact CE-CG2 4.44Å; F159-V161 VanDerWaalsContact C-N 3.29Å; F159-V161 WeakPolarHBondContact O-CG2 3.29Å; F159-V161 PolarHBondContact O-N 3.45Å; V161-A163 PolarHBondContact O-N 3.35Å; V161-A163 VanDerWaalsContact O-N 3.14Å; V161-K164 PolarHBondContact O-N 3.22Å; V161-K164 VanDerWaalsContact O-N 3.12Å; V161-I165 HydrophobicContact CB-CD1 4.38Å; V161-I165 HydrophobicContact CG1-CD1 3.39Å; V161-I165 HydrophobicContact CG1-CG1 3.81Å; V161-I165 WeakPolarHBondContact O-CB 3.34Å; V161-I165 WeakPolarHBondContact O-CG1 3.22Å; V161-I165 PolarHBondContact O-N 3.34Å
162A45Very low59.7Low25 Ų2547 Ų4721%0.20724%0.242CC..Hα-helixtrans-40.6-46.3160.100000113Y31 K164 T166Y31-A162 HydrophobicContact CD2-CB 4.38Å; Y31-A162 HydrophobicContact CE2-CB 3.32Å; Y31-A162 VanDerWaalsContact OH-CA 3.3Å; Y31-A162 WeakPolarHBondContact OH-CA 3.05Å; Y31-A162 VanDerWaalsContact OH-CB 3.22Å; Y31-A162 WeakPolarHBondContact OH-CB 3.38Å; Y31-A162 PolarHBondContact OH-O 3.25Å; A162-K164 PolarHBondContact O-N 3.41Å; A162-T166 WeakPolarHBondContact O-CB 3.08Å; A162-T166 PolarHBondContact O-N 2.89Å; A162-T166 PolarHBondContact O-OG1 2.86Å
163A41.4Very low56.9Low10 Ų1054.8 Ų54.88%0.08328%0.276CS..Hα-helixtrans-70-28.4-174.400000114.2G160 V161 I176G160-A163 PolarHBondContact O-N 3.11Å; V161-A163 PolarHBondContact O-N 3.35Å; V161-A163 VanDerWaalsContact O-N 3.14Å; A163-I176 HydrophobicContact CB-CG2 4.04Å
164K40.8Very low54.2Low97 Ų9755.9 Ų55.942%0.42229%0.288SS..Hα-helixtrans-91.1-36.9175.3-88.7-176.3172.7-173.90112.4I61 V161 A162 T166 A167 T168I61-K164 HydrophobicContact CG2-CB 4.14Å; V161-K164 PolarHBondContact O-N 3.22Å; V161-K164 VanDerWaalsContact O-N 3.12Å; A162-K164 PolarHBondContact O-N 3.41Å; K164-T166 VanDerWaalsContact C-N 3.27Å; K164-T166 PolarHBondContact O-N 2.76Å; K164-A167 WeakPolarHBondContact O-CB 3.38Å; K164-A167 PolarHBondContact O-N 3.48Å; K164-A167 VanDerWaalsContact O-N 3.1Å; K164-T168 PolarHBondContact O-N 2.87Å; K164-T168 PolarHBondContact O-OG1 2.93Å
165I40.3Very low51.6Low13 Ų1359.7 Ų59.77%0.06731%0.305CS..Hα-helixtrans-59.4-41.5170.5-70.1173.2000109.9Y31 I61 I62 V161 A167 T168 I169Y31-I165 HydrophobicContact CE1-CG2 4.08Å; I61-I165 HydrophobicContact CB-CG1 4.28Å; I61-I165 HydrophobicContact CG2-CG1 3.5Å; I62-I165 HydrophobicContact CG1-CD1 3.7Å; I62-I165 HydrophobicContact CG1-CG1 4.37Å; V161-I165 HydrophobicContact CB-CD1 4.38Å; V161-I165 HydrophobicContact CG1-CD1 3.39Å; V161-I165 HydrophobicContact CG1-CG1 3.81Å; V161-I165 WeakPolarHBondContact O-CB 3.34Å; V161-I165 WeakPolarHBondContact O-CG1 3.22Å; V161-I165 PolarHBondContact O-N 3.34Å; I165-A167 VanDerWaalsContact C-N 3.29Å; I165-A167 PolarHBondContact O-N 3.03Å; I165-T168 PolarHBondContact O-N 2.86Å; I165-I169 HydrophobicContact CG2-CB 4.45Å; I165-I169 HydrophobicContact CG2-CD1 3.34Å; I165-I169 HydrophobicContact CG2-CG1 3.9Å; I165-I169 VanDerWaalsContact O-CB 3.29Å; I165-I169 WeakPolarHBondContact O-CB 3.49Å; I165-I169 WeakPolarHBondContact O-CG1 3.41Å; I165-I169 PolarHBondContact O-N 3.24Å
166T39.4Very low49.4Very low15 Ų1562 Ų629%0.09232%0.317CS..Hα-helixtrans-62.2-33.7174.5-54.60000112Y31 A162 K164 T168 A170 S174 I176Y31-T166 PolarHBondContact OH-OG1 3.45Å; Y31-T166 VanDerWaalsContact OH-OG1 3.14Å; A162-T166 WeakPolarHBondContact O-CB 3.08Å; A162-T166 PolarHBondContact O-N 2.89Å; A162-T166 PolarHBondContact O-OG1 2.86Å; K164-T166 VanDerWaalsContact C-N 3.27Å; K164-T166 PolarHBondContact O-N 2.76Å; T166-T168 VanDerWaalsContact C-N 3.32Å; T166-T168 PolarHBondContact O-N 3.26Å; T166-A170 HydrophobicContact CG2-CB 3.94Å; T166-A170 WeakPolarHBondContact O-CA 3.26Å; T166-A170 WeakPolarHBondContact O-CB 3.47Å; T166-A170 PolarHBondContact O-N 2.66Å; T166-S174 WeakPolarHBondContact CG2-O 3.47Å; T166-I176 HydrophobicContact CG2-CB 4.45Å; T166-I176 HydrophobicContact CG2-CG1 3.94Å
167A41.7Very low47.5Very low62 Ų6263.5 Ų63.551%0.51233%0.333SS..Hα-helixtrans-68.9-29.1178.800000113.3K164 I165K164-A167 WeakPolarHBondContact O-CB 3.38Å; K164-A167 PolarHBondContact O-N 3.48Å; K164-A167 VanDerWaalsContact O-N 3.1Å; I165-A167 VanDerWaalsContact C-N 3.29Å; I165-A167 PolarHBondContact O-N 3.03Å
168T38.5Very low46.5Very low71 Ų7164.8 Ų64.844%0.43634%0.34SS..Hα-helixtrans-101.7-37.7-176.5-35.90000112.7I61 K164 I165 T166I61-T168 HydrophobicContact CD1-CG2 4.03Å; I61-T168 WeakPolarHBondContact CD1-OG1 3.24Å; K164-T168 PolarHBondContact O-N 2.87Å; K164-T168 PolarHBondContact O-OG1 2.93Å; I165-T168 PolarHBondContact O-N 2.86Å; T166-T168 VanDerWaalsContact C-N 3.32Å; T166-T168 PolarHBondContact O-N 3.26Å
169I38.6Very low46.4Very low81 Ų8162 Ų6242%0.41533%0.325SS..Hα-helixtrans-79.2-32176.9-59.9-170000111.3D57 I165 K171D57-I169 WeakPolarHBondContact OD1-CD1 3.4Å; I165-I169 HydrophobicContact CG2-CB 4.45Å; I165-I169 HydrophobicContact CG2-CD1 3.34Å; I165-I169 HydrophobicContact CG2-CG1 3.9Å; I165-I169 VanDerWaalsContact O-CB 3.29Å; I165-I169 WeakPolarHBondContact O-CB 3.49Å; I165-I169 WeakPolarHBondContact O-CG1 3.41Å; I165-I169 PolarHBondContact O-N 3.24Å; I169-K171 PolarHBondContact O-N 2.8Å
170A40.5Very low47.1Very low28 Ų2862 Ų6223%0.23133%0.325CS..THydrogen-bonded Turntrans-85.340.2178.300000114.3T166 R172 S174T166-A170 HydrophobicContact CG2-CB 3.94Å; T166-A170 WeakPolarHBondContact O-CA 3.26Å; T166-A170 WeakPolarHBondContact O-CB 3.47Å; T166-A170 PolarHBondContact O-N 2.66Å; A170-R172 PolarHBondContact O-N 2.67Å; A170-S174 WeakPolarHBondContact CB-O 3.39Å
171K36.3Very low48.7Very low201 Ų20162.2 Ų62.287%0.87432%0.323SS*.THydrogen-bonded Turntrans-56-9.7149.1-84.1-174.1176.9177.90111.7I169I169-K171 PolarHBondContact O-N 2.8Å
172R36.7Very low50.3Low218 Ų21863 Ų6382%0.82333%0.327SS*.SBendtrans-122.891.2171.4-57.7-174.6-161.91371.6112.4A170 S174A170-R172 PolarHBondContact O-N 2.67Å; R172-S174 PolarHBondContact O-N 3.38Å
173K35.5Very low52Low163 Ų16361.9 Ų61.971%0.70932%0.317SS*.SBendtrans66.413.1143.5-61.4-173.6177.2179.50122.3
174S39.3Very low54Low78 Ų7861.7 Ų61.755%0.54532%0.316SS..  trans-129.4127.2171.166.70000113.8T166 A170 R172T166-S174 WeakPolarHBondContact CG2-O 3.47Å; A170-S174 WeakPolarHBondContact CB-O 3.39Å; R172-S174 PolarHBondContact O-N 3.38Å
175F43.5Very low55.8Low81 Ų8158.6 Ų58.636%0.35530%0.303SS..  trans-65.9158.3-171.9-174.2-93.5000114.9P179 M182 M224 L227F175-P179 HydrophobicContact CE1-CB 4.28Å; F175-M182 HydrophobicContact CE1-CE 3.97Å; F175-M182 HydrophobicContact CE1-SD 3.65Å; F175-M182 HydrophobicContact CZ-CE 4.06Å; F175-M182 HydrophobicContact CZ-SD 4.29Å; F175-M224 HydrophobicContact CD2-SD 4.1Å; F175-M224 HydrophobicContact CG-SD 4.38Å; F175-L227 HydrophobicContact CD1-CD1 3.64Å; F175-L227 HydrophobicContact CD2-CD1 4Å; F175-L227 HydrophobicContact CE1-CD1 3.23Å; F175-L227 HydrophobicContact CE1-CD2 3.8Å; F175-L227 HydrophobicContact CE1-CG 4.11Å; F175-L227 HydrophobicContact CE2-CD1 3.62Å; F175-L227 HydrophobicContact CG-CD1 4.02Å; F175-L227 HydrophobicContact CZ-CD1 3.23Å; F175-L227 HydrophobicContact CZ-CD2 3.71Å; F175-L227 HydrophobicContact CZ-CG 4.08Å
176I48.2Very low57.3Low68 Ų6859.1 Ų59.135%0.34931%0.306SS..SBendtrans-80.4122.5-173.1-61164.8000112.3A163 T166 M182A163-I176 HydrophobicContact CB-CG2 4.04Å; T166-I176 HydrophobicContact CG2-CB 4.45Å; T166-I176 HydrophobicContact CG2-CG1 3.94Å; I176-M182 VanDerWaalsContact O-SD 3.34Å
177G54.3Low58.5Low32 Ų3259.4 Ų59.433%0.3331%0.31SS..SBendtrans79.2-172.4169.400000115P179G177-P179 VanDerWaalsContact O-CD 3.23Å; G177-P179 WeakPolarHBondContact O-CD 3.34Å
178T65.9Low59.4Low31 Ų3158.3 Ų58.319%0.1930%0.301CS..  trans-95.995.9175.5-35.70000109.6D140 K142 Y180 W181D140-T178 PolarHBondContact OD1-OG1 3.02Å; K142-T178 HydrophobicContact CD-CG2 4.45Å; K142-T178 PolarHBondContact NZ-OG1 2.87Å; T178-Y180 PolarHBondContact O-N 3.01Å; T178-W181 HydrophobicContact CG2-CD2 4.44Å; T178-W181 HydrophobicContact CG2-CE3 3.3Å; T178-W181 HydrophobicContact CG2-CH2 4.29Å; T178-W181 HydrophobicContact CG2-CZ3 3.21Å; T178-W181 PolarHBondContact O-N 3.39Å
179P73.8Confident60.4Low4 Ų457.6 Ų57.63%0.02630%0.297CS..G310 helixtrans-62.4-26.4-159.114.4-23.5000115.3F175 G177 W181 M182 P223 L227F175-P179 HydrophobicContact CE1-CB 4.28Å; G177-P179 VanDerWaalsContact O-CD 3.23Å; G177-P179 WeakPolarHBondContact O-CD 3.34Å; P179-W181 PolarHBondContact O-N 3.18Å; P179-M182 HydrophobicContact CB-SD 4.19Å; P179-M182 PolarHBondContact O-N 2.95Å; P179-P223 HydrophobicContact CG-CB 3.6Å; P179-P223 HydrophobicContact CG-CG 4.3Å; P179-L227 HydrophobicContact CB-CD1 3.93Å; P179-L227 HydrophobicContact CB-CD2 3.8Å; P179-L227 HydrophobicContact CB-CG 3.75Å
180Y84.2Confident60.7Low8 Ų862.8 Ų62.83%0.03132%0.319CS..G310 helixtrans-67.5-23178.8-48.1-75.8000113.6T178 P216 M218 F219 L221 P223 A226 M684T178-Y180 PolarHBondContact O-N 3.01Å; Y180-P216 HydrophobicContact CG-CG 4.21Å; Y180-M218 VanDerWaalsContact CE1-O 3.23Å; Y180-M218 WeakPolarHBondContact CE1-O 3.02Å; Y180-F219 AromaticContact CD2-CD2 3.74Å; Y180-F219 HydrophobicContact CD2-CD2 3.74Å; Y180-F219 HydrophobicContact CD2-CE2 4.09Å; Y180-F219 AromaticContact CE2-CD2 3.78Å; Y180-F219 HydrophobicContact CE2-CD2 3.78Å; Y180-F219 AromaticContact CE2-CE2 3.99Å; Y180-F219 HydrophobicContact CE2-CE2 3.99Å; Y180-F219 HydrophobicContact CG-CD2 4.14Å; Y180-L221 WeakPolarHBondContact CE1-O 3.26Å; Y180-L221 PolarHBondContact OH-O 3.48Å; Y180-P223 HydrophobicContact CE2-CG 4.47Å; Y180-P223 VanDerWaalsContact OH-CD 3.3Å; Y180-P223 WeakPolarHBondContact OH-CD 3.38Å; Y180-P223 WeakPolarHBondContact OH-CG 3.14Å; Y180-A226 HydrophobicContact CD1-CB 4.08Å; Y180-A226 HydrophobicContact CE1-CB 4.04Å; Y180-M684 HydrophobicContact CE2-SD 4.28Å
181W88.3Confident60.6Low13 Ų1370.3 Ų70.35%0.04935%0.347CS..G310 helixtrans-98-9.5177.1-69.6-106.4000113.2K142 T178 P179 I206 E210 P216K142-W181 HydrophobicContact CB-CD2 4.07Å; K142-W181 HydrophobicContact CB-CG 4.12Å; K142-W181 HydrophobicContact CB-CZ2 4.22Å; T178-W181 HydrophobicContact CG2-CD2 4.44Å; T178-W181 HydrophobicContact CG2-CE3 3.3Å; T178-W181 HydrophobicContact CG2-CH2 4.29Å; T178-W181 HydrophobicContact CG2-CZ3 3.21Å; T178-W181 PolarHBondContact O-N 3.39Å; P179-W181 PolarHBondContact O-N 3.18Å; W181-I206 HydrophobicContact CB-CG2 4.31Å; W181-I206 HydrophobicContact CD2-CG2 4.3Å; W181-I206 HydrophobicContact CG-CB 4.35Å; W181-I206 HydrophobicContact CG-CG2 3.77Å; W181-E210 VanDerWaalsContact CZ2-CD 3.46Å; W181-E210 HydrophobicContact CZ2-CG 4.03Å; W181-E210 WeakPolarHBondContact CZ2-OE2 3.38Å; W181-E210 PolarHBondContact NE1-OE2 3.09Å; W181-P216 HydrophobicContact CD2-CB 4.21Å; W181-P216 HydrophobicContact CD2-CG 4.42Å; W181-P216 HydrophobicContact CE3-CB 4.4Å; W181-P216 HydrophobicContact CE3-CG 4.18Å; W181-P216 HydrophobicContact CH2-CB 4.09Å; W181-P216 HydrophobicContact CH2-CG 3.38Å; W181-P216 HydrophobicContact CZ2-CB 3.84Å; W181-P216 HydrophobicContact CZ2-CG 3.63Å; W181-P216 HydrophobicContact CZ3-CB 4.33Å; W181-P216 HydrophobicContact CZ3-CG 3.66Å
182M84.4Confident60.6Low24 Ų2467.9 Ų67.912%0.11834%0.343CS..SBendtrans-66.3149.6-178-70174.57300111.1F175 I176 P179 V186 W202 L227 M230F175-M182 HydrophobicContact CE1-CE 3.97Å; F175-M182 HydrophobicContact CE1-SD 3.65Å; F175-M182 HydrophobicContact CZ-CE 4.06Å; F175-M182 HydrophobicContact CZ-SD 4.29Å; I176-M182 VanDerWaalsContact O-SD 3.34Å; P179-M182 HydrophobicContact CB-SD 4.19Å; P179-M182 PolarHBondContact O-N 2.95Å; M182-V186 HydrophobicContact CE-CB 4.05Å; M182-V186 HydrophobicContact CE-CG1 3.36Å; M182-W202 PolarHBondContact O-NE1 2.85Å; M182-L227 HydrophobicContact SD-CD2 4.12Å; M182-M230 WeakPolarHBondContact O-CE 3.43Å
183A81.3Confident60.6Low1 Ų160.4 Ų60.41%0.00833%0.334CS..  trans-80.5151.5172.800000111E185 V186 A187 C199 W202A183-E185 VanDerWaalsContact CB-CD 3.4Å; A183-E185 VanDerWaalsContact CB-OE1 3.22Å; A183-E185 WeakPolarHBondContact CB-OE1 3.44Å; A183-E185 VanDerWaalsContact CB-OE2 3.31Å; A183-E185 WeakPolarHBondContact CB-OE2 2.98Å; A183-E185 PolarHBondContact O-N 3.41Å; A183-V186 HydrophobicContact CB-CG2 4.05Å; A183-V186 WeakPolarHBondContact O-CA 3.43Å; A183-V186 WeakPolarHBondContact O-CB 3.22Å; A183-V186 PolarHBondContact O-N 3.23Å; A183-A187 PolarHBondContact O-N 2.84Å; A183-A187 VanDerWaalsContact O-N 3.11Å; A183-C199 HydrophobicContact CB-CB 4.21Å; A183-W202 VanDerWaalsContact CA-CD1 3.49Å; A183-W202 HydrophobicContact CB-CB 3.67Å; A183-W202 HydrophobicContact CB-CD2 4.06Å; A183-W202 HydrophobicContact CB-CG 3.57Å
184P82.3Confident61.6Low7 Ų756.1 Ų56.15%0.04534%0.336CS..Hα-helixtrans-56.8-35.2-178.1-26.635.8000113.4V186 A187 A188 W202 M230 F235 K260P184-V186 VanDerWaalsContact C-N 3.3Å; P184-V186 PolarHBondContact O-N 3.39Å; P184-A187 PolarHBondContact O-N 3.06Å; P184-A188 WeakPolarHBondContact O-CB 3.33Å; P184-A188 PolarHBondContact O-N 2.94Å; P184-A188 VanDerWaalsContact O-N 3.16Å; P184-W202 HydrophobicContact CG-CE3 4.45Å; P184-W202 HydrophobicContact CG-CH2 3.56Å; P184-W202 HydrophobicContact CG-CZ2 3.78Å; P184-W202 HydrophobicContact CG-CZ3 3.9Å; P184-M230 HydrophobicContact CG-CE 4.31Å; P184-F235 HydrophobicContact CG-CD1 4.11Å; P184-F235 HydrophobicContact CG-CE1 3.82Å; P184-K260 HydrophobicContact CB-CG 4.39Å; P184-K260 HydrophobicContact CG-CG 4.31Å
185E78.3Confident62.9Low32 Ų3255.2 Ų55.215%0.1532%0.321CS..Hα-helixtrans-68.8-26.8176.170.5-81.7-169.700113.3A183 V189 P262 R265A183-E185 VanDerWaalsContact CB-CD 3.4Å; A183-E185 VanDerWaalsContact CB-OE1 3.22Å; A183-E185 WeakPolarHBondContact CB-OE1 3.44Å; A183-E185 VanDerWaalsContact CB-OE2 3.31Å; A183-E185 WeakPolarHBondContact CB-OE2 2.98Å; A183-E185 PolarHBondContact O-N 3.41Å; E185-V189 WeakPolarHBondContact O-CG2 3.44Å; E185-P262 HydrophobicContact CB-CG 4.33Å; E185-P262 HydrophobicContact CG-CB 4.34Å; E185-P262 HydrophobicContact CG-CG 4.17Å; E185-R265 IonicContact OE1-CZ 3.78Å; E185-R265 IonicContact OE1-NH1 3.79Å; E185-R265 PolarHBondContact OE1-NH1 2.81Å; E185-R265 IonicContact OE1-NH2 2.86Å; E185-R265 PolarHBondContact OE1-NH2 2.82Å; E185-R265 IonicContact OE2-CZ 3.2Å; E185-R265 IonicContact OE2-NH1 2.94Å; E185-R265 IonicContact OE2-NH2 2.71Å; E185-R265 PolarHBondContact OE2-NH2 3.5Å
186V72.8Confident64.5Low23 Ų2355 Ų5514%0.13932%0.324CS..Hα-helixtrans-76.8-37.5174.9-170.20000110.1M182 A183 P184 A188 V189 Y195 C199M182-V186 HydrophobicContact CE-CB 4.05Å; M182-V186 HydrophobicContact CE-CG1 3.36Å; A183-V186 HydrophobicContact CB-CG2 4.05Å; A183-V186 WeakPolarHBondContact O-CA 3.43Å; A183-V186 WeakPolarHBondContact O-CB 3.22Å; A183-V186 PolarHBondContact O-N 3.23Å; P184-V186 VanDerWaalsContact C-N 3.3Å; P184-V186 PolarHBondContact O-N 3.39Å; V186-A188 PolarHBondContact O-N 2.79Å; V186-V189 VanDerWaalsContact O-CG2 3.27Å; V186-V189 WeakPolarHBondContact O-CG2 3.39Å; V186-Y195 HydrophobicContact CB-CG 4.49Å; V186-Y195 HydrophobicContact CG1-CD1 4.07Å; V186-Y195 HydrophobicContact CG1-CE1 4Å; V186-Y195 HydrophobicContact CG1-CG 4.37Å; V186-Y195 HydrophobicContact CG2-CD1 4.24Å; V186-Y195 HydrophobicContact CG2-CD2 3.91Å; V186-Y195 HydrophobicContact CG2-CE2 4.5Å; V186-Y195 HydrophobicContact CG2-CG 3.76Å; V186-C199 HydrophobicContact CG2-CB 3.66Å
187A64.1Low66.1Low21 Ų2154.8 Ų54.817%0.17432%0.322CS..Hα-helixtrans-66.3-24.7174.500000113.2A183 P184 L227 M230A183-A187 PolarHBondContact O-N 2.84Å; A183-A187 VanDerWaalsContact O-N 3.11Å; P184-A187 PolarHBondContact O-N 3.06Å; A187-L227 HydrophobicContact CB-CD2 3.69Å; A187-M230 HydrophobicContact CB-CB 4.37Å
188A61.2Low67.8Low40 Ų4054 Ų5433%0.33131%0.31SS..THydrogen-bonded Turntrans-90.80.2-17700000114.9P184 V186 E190 K191P184-A188 WeakPolarHBondContact O-CB 3.33Å; P184-A188 PolarHBondContact O-N 2.94Å; P184-A188 VanDerWaalsContact O-N 3.16Å; V186-A188 PolarHBondContact O-N 2.79Å; A188-E190 PolarHBondContact O-N 2.75Å; A188-E190 VanDerWaalsContact O-N 3.12Å; A188-K191 PolarHBondContact O-N 2.97Å
189V58.6Low68.9Low56 Ų5653 Ų5334%0.33930%0.304SS..Hα-helixtrans-67.1-14.1-167.6-178.50000114.1E185 V186 K191 Y195E185-V189 WeakPolarHBondContact O-CG2 3.44Å; V186-V189 VanDerWaalsContact O-CG2 3.27Å; V186-V189 WeakPolarHBondContact O-CG2 3.39Å; V189-K191 PolarHBondContact O-N 2.89Å; V189-Y195 HydrophobicContact CG2-CD1 3.85Å
190E45.9Very low69.8Low190 Ų19052.8 Ų52.889%0.88830%0.303SS*.Hα-helixtrans-61.6-12.3168.6-76.8-173.7168.100113.6A188A188-E190 PolarHBondContact O-N 2.75Å; A188-E190 VanDerWaalsContact O-N 3.12Å
191K37.5Very low70.4Confident186 Ų18652.4 Ų52.481%0.80930%0.301SS*.Hα-helixtrans-113-29.4-179.6-78-172.8174.7-177.90117.5A188 V189A188-K191 PolarHBondContact O-N 2.97Å; V189-K191 PolarHBondContact O-N 2.89Å
192N36.4Very low70.7Confident149 Ų14951.9 Ų51.980%0.79730%0.299SS*.Hα-helixtrans-137.9-1.3-161.5-75.8-22.4000118.4
193G37.8Very low71.2Confident61 Ų6151.1 Ų51.163%0.62930%0.296SS*.  trans68.6130.6176.400000116.4
194G56.3Low72Confident74 Ų7451.1 Ų51.176%0.76330%0.296SS*.  trans78.5103.6162.700000117.6
195Y65.3Low72.8Confident58 Ų5850.8 Ų50.823%0.22729%0.294CS..  trans-101156.7158.661.4-86.7000110.1M137 R139 V186 V189 C199M137-Y195 HydrophobicContact SD-CE2 4.5Å; R139-Y195 HydrophobicContact CG-CE2 4.41Å; V186-Y195 HydrophobicContact CB-CG 4.49Å; V186-Y195 HydrophobicContact CG1-CD1 4.07Å; V186-Y195 HydrophobicContact CG1-CE1 4Å; V186-Y195 HydrophobicContact CG1-CG 4.37Å; V186-Y195 HydrophobicContact CG2-CD1 4.24Å; V186-Y195 HydrophobicContact CG2-CD2 3.91Å; V186-Y195 HydrophobicContact CG2-CE2 4.5Å; V186-Y195 HydrophobicContact CG2-CG 3.76Å; V189-Y195 HydrophobicContact CG2-CD1 3.85Å; Y195-C199 HydrophobicContact CD2-CB 4.25Å
196N77.4Confident73.7Confident77 Ų7749.4 Ų49.441%0.41229%0.288SS..  trans-115.9-177.6-178.869.89.9000111.7L198 C199N196-L198 PolarHBondContact O-N 2.9Å; N196-L198 VanDerWaalsContact OD1-CB 3.23Å; N196-L198 WeakPolarHBondContact OD1-CB 3.48Å; N196-L198 WeakPolarHBondContact OD1-CG 3.32Å; N196-L198 PolarHBondContact OD1-N 3.4Å; N196-L198 VanDerWaalsContact OD1-N 3.11Å; N196-C199 PolarHBondContact O-N 3.45Å; N196-C199 VanDerWaalsContact O-N 3.11Å; N196-C199 PolarHBondContact O-SG 3.37Å
197Q83.1Confident74.9Confident64 Ų6448.5 Ų48.530%0.29928%0.282SS..THydrogen-bonded Turntrans-59.6-13.7-177.770.1-149.824.200115.4H132 M137 C199 D200H132-Q197 HydrophobicContact CB-CG 4.28Å; H132-Q197 PolarHBondContact CE1-O 2.87Å; H132-Q197 PolarHBondContact NE2-O 2.93Å; M137-Q197 HydrophobicContact CG-CB 3.62Å; M137-Q197 VanDerWaalsContact SD-CA 3.57Å; M137-Q197 HydrophobicContact SD-CB 4.16Å; M137-Q197 PolarHBondContact SD-N 2.89Å; Q197-C199 PolarHBondContact O-N 3.03Å; Q197-D200 WeakPolarHBondContact O-CB 3.46Å; Q197-D200 PolarHBondContact O-N 2.76Å; Q197-D200 VanDerWaalsContact O-N 3.16Å
198L89.9Confident76.5Confident16 Ų1647.5 Ų47.58%0.08427%0.274CS..Hα-helixtrans-70-12.7176.3-54.1177.7000112.5N196 D200 I201 W202 P262 R265 T267N196-L198 PolarHBondContact O-N 2.9Å; N196-L198 VanDerWaalsContact OD1-CB 3.23Å; N196-L198 WeakPolarHBondContact OD1-CB 3.48Å; N196-L198 WeakPolarHBondContact OD1-CG 3.32Å; N196-L198 PolarHBondContact OD1-N 3.4Å; N196-L198 VanDerWaalsContact OD1-N 3.11Å; L198-D200 PolarHBondContact O-N 2.69Å; L198-I201 HydrophobicContact CD2-CG1 4.42Å; L198-I201 WeakPolarHBondContact O-CB 3.49Å; L198-I201 PolarHBondContact O-N 2.94Å; L198-W202 PolarHBondContact O-N 3.02Å; L198-P262 WeakPolarHBondContact CD1-O 3.33Å; L198-R265 VanDerWaalsContact O-CD 3.27Å; L198-R265 WeakPolarHBondContact O-CD 3.22Å; L198-R265 PolarHBondContact O-NH1 2.84Å; L198-T267 HydrophobicContact CD2-CG2 4.1Å
199C88.7Confident78.2Confident9 Ų945.6 Ų45.66%0.06126%0.258CS..Hα-helixtrans-59.8-33.5169.265.40000112.3A183 V186 Y195 N196 Q197 I201 W202 A203A183-C199 HydrophobicContact CB-CB 4.21Å; V186-C199 HydrophobicContact CG2-CB 3.66Å; Y195-C199 HydrophobicContact CD2-CB 4.25Å; N196-C199 PolarHBondContact O-N 3.45Å; N196-C199 VanDerWaalsContact O-N 3.11Å; N196-C199 PolarHBondContact O-SG 3.37Å; Q197-C199 PolarHBondContact O-N 3.03Å; C199-I201 VanDerWaalsContact C-N 3.28Å; C199-I201 PolarHBondContact O-N 3.15Å; C199-W202 WeakPolarHBondContact O-CB 3.39Å; C199-W202 PolarHBondContact O-N 2.95Å; C199-A203 PolarHBondContact O-N 3.06Å; C199-A203 VanDerWaalsContact O-N 3.1Å
200D91.6Very high80Confident0 Ų043 Ų430%024%0.242CC..Hα-helixtrans-64.8-34.3176-66.1-28.4000111.4L128 H132 H138 R139 I141 Q197 L198 A203 V204L128-D200 HydrophobicContact CD1-CB 3.99Å; L128-D200 HydrophobicContact CD2-CB 3.87Å; H132-D200 IonicContact CD2-OD2 2.67Å; H132-D200 IonicContact CE1-OD2 3.19Å; H132-D200 IonicContact NE2-OD2 3.35Å; H132-D200 PolarHBondContact NE2-OD2 2.71Å; H138-D200 PolarHBondContact N-OD1 2.96Å; H138-D200 PolarHBondContact N-OD2 3.15Å; R139-D200 PolarHBondContact N-OD1 3.04Å; I141-D200 HydrophobicContact CG1-CB 4.44Å; Q197-D200 WeakPolarHBondContact O-CB 3.46Å; Q197-D200 PolarHBondContact O-N 2.76Å; Q197-D200 VanDerWaalsContact O-N 3.16Å; L198-D200 PolarHBondContact O-N 2.69Å; D200-A203 WeakPolarHBondContact O-CB 3.34Å; D200-A203 PolarHBondContact O-N 3.08Å; D200-V204 WeakPolarHBondContact O-CG2 3.36Å; D200-V204 PolarHBondContact O-N 2.82Å
201I97.1Very high82.4Confident0 Ų034 Ų340%020%0.2CC..Hα-helixtrans-68.1-37.1178.3-55.1-58.4000111.6L125 L198 C199 A203 V204 G205 R265 P266 A268 L271L125-I201 HydrophobicContact CD2-CD1 3.86Å; L198-I201 HydrophobicContact CD2-CG1 4.42Å; L198-I201 WeakPolarHBondContact O-CB 3.49Å; L198-I201 PolarHBondContact O-N 2.94Å; C199-I201 VanDerWaalsContact C-N 3.28Å; C199-I201 PolarHBondContact O-N 3.15Å; I201-A203 VanDerWaalsContact C-N 3.35Å; I201-V204 PolarHBondContact O-N 3Å; I201-G205 PolarHBondContact O-N 2.82Å; I201-R265 HydrophobicContact CB-CG 4.37Å; I201-R265 HydrophobicContact CG2-CG 4.06Å; I201-P266 HydrophobicContact CG2-CG 4.44Å; I201-A268 HydrophobicContact CD1-CB 3.88Å; I201-L271 HydrophobicContact CG2-CD2 3.72Å
202W95.8Very high85.2Confident2 Ų225.3 Ų25.31%0.00816%0.163CC..Hα-helixtrans-62.8-46171.1176.5-79.3000110.8M182 A183 P184 L198 C199 V204 G205 I206 F235 P237 L258M182-W202 PolarHBondContact O-NE1 2.85Å; A183-W202 VanDerWaalsContact CA-CD1 3.49Å; A183-W202 HydrophobicContact CB-CB 3.67Å; A183-W202 HydrophobicContact CB-CD2 4.06Å; A183-W202 HydrophobicContact CB-CG 3.57Å; P184-W202 HydrophobicContact CG-CE3 4.45Å; P184-W202 HydrophobicContact CG-CH2 3.56Å; P184-W202 HydrophobicContact CG-CZ2 3.78Å; P184-W202 HydrophobicContact CG-CZ3 3.9Å; L198-W202 PolarHBondContact O-N 3.02Å; C199-W202 WeakPolarHBondContact O-CB 3.39Å; C199-W202 PolarHBondContact O-N 2.95Å; W202-V204 VanDerWaalsContact C-N 3.29Å; W202-V204 PolarHBondContact O-N 2.89Å; W202-G205 WeakPolarHBondContact O-CA 3.1Å; W202-G205 PolarHBondContact O-N 3.25Å; W202-I206 HydrophobicContact CZ2-CD1 4.5Å; W202-I206 PolarHBondContact O-N 3.08Å; W202-F235 AromaticContact CH2-CE1 3.94Å; W202-F235 HydrophobicContact CH2-CE1 3.94Å; W202-F235 HydrophobicContact CZ2-CE1 4.17Å; W202-P237 HydrophobicContact CH2-CB 4.04Å; W202-P237 HydrophobicContact CH2-CG 4.33Å; W202-P237 HydrophobicContact CZ3-CB 4.45Å; W202-L258 HydrophobicContact CD2-CD2 3.69Å; W202-L258 HydrophobicContact CE3-CB 4.22Å; W202-L258 HydrophobicContact CE3-CD2 4.05Å; W202-L258 HydrophobicContact CG-CD2 4.01Å; W202-L258 HydrophobicContact CH2-CB 4.26Å; W202-L258 HydrophobicContact CH2-CD2 4.48Å; W202-L258 HydrophobicContact CZ2-CD2 4.18Å; W202-L258 VanDerWaalsContact CZ3-C 3.44Å; W202-L258 HydrophobicContact CZ3-CB 4.01Å; W202-L258 HydrophobicContact CZ3-CD2 4.44Å; W202-L258 WeakPolarHBondContact CZ3-O 3.4Å; W202-L258 VanDerWaalsContact O-CD2 3.3Å; W202-L258 WeakPolarHBondContact O-CD2 3.44Å
203A94.6Very high87.8Confident7 Ų719.8 Ų19.86%0.05813%0.133CC..Hα-helixtrans-62.5-33.6179.400000112.5I141 C199 D200 I201 I206 T207I141-A203 HydrophobicContact CB-CB 3.8Å; I141-A203 HydrophobicContact CG2-CB 4.37Å; C199-A203 PolarHBondContact O-N 3.06Å; C199-A203 VanDerWaalsContact O-N 3.1Å; D200-A203 WeakPolarHBondContact O-CB 3.34Å; D200-A203 PolarHBondContact O-N 3.08Å; I201-A203 VanDerWaalsContact C-N 3.35Å; A203-I206 PolarHBondContact O-N 2.84Å; A203-T207 WeakPolarHBondContact O-CB 3.44Å; A203-T207 PolarHBondContact O-N 2.96Å; A203-T207 PolarHBondContact O-OG1 3.24Å
204V97.9Very high90.3Very high2 Ų217.9 Ų17.91%0.01211%0.108CC..Hα-helixtrans-60.2-43.8168.3170.90000111.4T124 L125 L128 I141 D200 I201 W202 I206 T207 S208 F253T124-V204 HydrophobicContact CG2-CG2 3.83Å; L125-V204 HydrophobicContact CD2-CG1 4.41Å; L125-V204 HydrophobicContact CD2-CG2 4.35Å; L128-V204 HydrophobicContact CD1-CG2 3.52Å; I141-V204 HydrophobicContact CG2-CG2 4.06Å; D200-V204 WeakPolarHBondContact O-CG2 3.36Å; D200-V204 PolarHBondContact O-N 2.82Å; I201-V204 PolarHBondContact O-N 3Å; W202-V204 VanDerWaalsContact C-N 3.29Å; W202-V204 PolarHBondContact O-N 2.89Å; V204-I206 PolarHBondContact O-N 3.26Å; V204-T207 PolarHBondContact O-N 3.18Å; V204-S208 WeakPolarHBondContact O-CB 3.3Å; V204-S208 PolarHBondContact O-N 3.1Å; V204-S208 PolarHBondContact O-OG 3.03Å; V204-F253 HydrophobicContact CG1-CE1 4.35Å; V204-F253 HydrophobicContact CG1-CZ 4.15Å
205G97.9Very high91.9Very high0 Ų015.8 Ų15.80%08%0.078CC..Hα-helixtrans-61-41.9176.100000112.8I201 W202 S208 I209I201-G205 PolarHBondContact O-N 2.82Å; W202-G205 WeakPolarHBondContact O-CA 3.1Å; W202-G205 PolarHBondContact O-N 3.25Å; G205-S208 WeakPolarHBondContact O-CB 3.46Å; G205-S208 PolarHBondContact O-N 3.06Å; G205-I209 PolarHBondContact O-N 2.87Å
206I97.8Very high93.1Very high2 Ų213.2 Ų13.21%0.017%0.069CC..Hα-helixtrans-68.1-43.5175.3-60.2-60.2000111.3W181 W202 A203 V204 S208 I209 E210 P216 P217 P238 L258W181-I206 HydrophobicContact CB-CG2 4.31Å; W181-I206 HydrophobicContact CD2-CG2 4.3Å; W181-I206 HydrophobicContact CG-CB 4.35Å; W181-I206 HydrophobicContact CG-CG2 3.77Å; W202-I206 HydrophobicContact CZ2-CD1 4.5Å; W202-I206 PolarHBondContact O-N 3.08Å; A203-I206 PolarHBondContact O-N 2.84Å; V204-I206 PolarHBondContact O-N 3.26Å; I206-S208 PolarHBondContact O-N 3.06Å; I206-I209 WeakPolarHBondContact O-CB 3.24Å; I206-I209 PolarHBondContact O-N 2.86Å; I206-E210 PolarHBondContact O-N 3.02Å; I206-P216 HydrophobicContact CG2-CB 3.73Å; I206-P217 HydrophobicContact CD1-CG 4.21Å; I206-P238 HydrophobicContact CD1-CG 4.15Å; I206-L258 HydrophobicContact CD1-CD1 4.09Å; I206-L258 HydrophobicContact CD1-CD2 3.7Å; I206-L258 HydrophobicContact CG1-CD2 3.89Å
207T97.4Very high93.7Very high5 Ų510.4 Ų10.43%0.0316%0.055CC..Hα-helixtrans-61-34.7176.8-55.10000111.1I141 K142 I146 A203 V204 I209 E210 L211I141-T207 PolarHBondContact O-OG1 3.46Å; K142-T207 WeakPolarHBondContact CA-OG1 3.26Å; I146-T207 HydrophobicContact CD1-CG2 3.84Å; A203-T207 WeakPolarHBondContact O-CB 3.44Å; A203-T207 PolarHBondContact O-N 2.96Å; A203-T207 PolarHBondContact O-OG1 3.24Å; V204-T207 PolarHBondContact O-N 3.18Å; T207-I209 VanDerWaalsContact C-N 3.31Å; T207-I209 PolarHBondContact O-N 2.89Å; T207-E210 WeakPolarHBondContact O-CB 3.26Å; T207-E210 PolarHBondContact O-N 3.16Å; T207-L211 HydrophobicContact CG2-CD1 4.33Å; T207-L211 HydrophobicContact CG2-CG 4.34Å; T207-L211 VanDerWaalsContact O-CG 3.28Å; T207-L211 WeakPolarHBondContact O-CG 3.38Å; T207-L211 PolarHBondContact O-N 3.2Å
208S98.1Very high93.8Very high0 Ų09.8 Ų9.80%05%0.053CC..Hα-helixtrans-62.7-38.9174.7-53.60000112.2C121 V204 G205 I206 A212C121-S208 PolarHBondContact SG-OG 2.9Å; V204-S208 WeakPolarHBondContact O-CB 3.3Å; V204-S208 PolarHBondContact O-N 3.1Å; V204-S208 PolarHBondContact O-OG 3.03Å; G205-S208 WeakPolarHBondContact O-CB 3.46Å; G205-S208 PolarHBondContact O-N 3.06Å; I206-S208 PolarHBondContact O-N 3.06Å; S208-A212 WeakPolarHBondContact O-CB 3.32Å; S208-A212 PolarHBondContact O-N 3.12Å
209I97.5Very high93.5Very high0 Ų010.3 Ų10.30%05%0.054CC..Hα-helixtrans-69.6-42.3173-61.9170.3000110.3G205 I206 T207 L211 A212 E213 P217 P238 L240 I254 L258G205-I209 PolarHBondContact O-N 2.87Å; I206-I209 WeakPolarHBondContact O-CB 3.24Å; I206-I209 PolarHBondContact O-N 2.86Å; T207-I209 VanDerWaalsContact C-N 3.31Å; T207-I209 PolarHBondContact O-N 2.89Å; I209-L211 VanDerWaalsContact C-N 3.33Å; I209-L211 PolarHBondContact O-N 3.37Å; I209-A212 PolarHBondContact O-N 2.86Å; I209-A212 VanDerWaalsContact O-N 3.13Å; I209-E213 HydrophobicContact CG2-CB 4.41Å; I209-E213 HydrophobicContact CG2-CG 4.14Å; I209-E213 WeakPolarHBondContact O-CB 3.35Å; I209-E213 PolarHBondContact O-N 2.97Å; I209-P217 HydrophobicContact CB-CG 4.45Å; I209-P217 HydrophobicContact CD1-CG 3.85Å; I209-P217 HydrophobicContact CG2-CG 4.02Å; I209-P238 HydrophobicContact CD1-CB 4.01Å; I209-L240 HydrophobicContact CG1-CD2 4.17Å; I209-L240 HydrophobicContact CG2-CD2 4.43Å; I209-I254 HydrophobicContact CD1-CG2 4Å; I209-I254 HydrophobicContact CG1-CD1 3.88Å; I209-I254 HydrophobicContact CG1-CG2 4.25Å; I209-L258 HydrophobicContact CD1-CD1 3.87Å
210E96.6Very high92.8Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-55.2-46175.8179.6-162.8176.100111.8Y106 G143 W181 I206 T207 A212 L214Y106-E210 HydrophobicContact CE1-CG 4.11Å; Y106-E210 PolarHBondContact OH-OE1 3.1Å; G143-E210 WeakPolarHBondContact CA-OE1 3.36Å; G143-E210 PolarHBondContact N-OE1 2.89Å; G143-E210 PolarHBondContact N-OE2 3.45Å; W181-E210 VanDerWaalsContact CZ2-CD 3.46Å; W181-E210 HydrophobicContact CZ2-CG 4.03Å; W181-E210 WeakPolarHBondContact CZ2-OE2 3.38Å; W181-E210 PolarHBondContact NE1-OE2 3.09Å; I206-E210 PolarHBondContact O-N 3.02Å; T207-E210 WeakPolarHBondContact O-CB 3.26Å; T207-E210 PolarHBondContact O-N 3.16Å; E210-A212 VanDerWaalsContact C-N 3.29Å; E210-A212 PolarHBondContact O-N 3.49Å; E210-L214 CarbonylContact O-C 3.43Å; E210-L214 WeakPolarHBondContact O-CA 3.22Å; E210-L214 PolarHBondContact O-N 3.02Å
211L96.1Very high92.1Very high1 Ų116.5 Ų16.51%0.0059%0.086CC..Hα-helixtrans-69.9-27.5179.3-62.5175.6000112.8L102 Y106 L112 I117 V120 T207 I209L102-L211 HydrophobicContact CB-CD2 3.98Å; L102-L211 HydrophobicContact CD1-CD1 4.14Å; L102-L211 HydrophobicContact CD1-CD2 4.1Å; Y106-L211 HydrophobicContact CD1-CD2 3.62Å; Y106-L211 HydrophobicContact CE1-CD2 3.91Å; L112-L211 HydrophobicContact CD2-CB 4.42Å; L112-L211 HydrophobicContact CD2-CD1 4.39Å; L112-L211 HydrophobicContact CD2-CD2 4.29Å; L112-L211 PolarHBondContact N-O 2.83Å; I117-L211 HydrophobicContact CD1-CB 4.15Å; I117-L211 HydrophobicContact CG1-CB 3.89Å; V120-L211 HydrophobicContact CB-CD1 4.39Å; V120-L211 HydrophobicContact CG1-CD1 3.86Å; T207-L211 HydrophobicContact CG2-CD1 4.33Å; T207-L211 HydrophobicContact CG2-CG 4.34Å; T207-L211 VanDerWaalsContact O-CG 3.28Å; T207-L211 WeakPolarHBondContact O-CG 3.38Å; T207-L211 PolarHBondContact O-N 3.2Å; I209-L211 VanDerWaalsContact C-N 3.33Å; I209-L211 PolarHBondContact O-N 3.37Å
212A95.9Very high90.8Very high4 Ų417.8 Ų17.83%0.0339%0.092CC..Hα-helixtrans-83.7-31178.700000113.7I117 S208 I209 E210 L240 W246 F250I117-A212 HydrophobicContact CD1-CB 3.79Å; S208-A212 WeakPolarHBondContact O-CB 3.32Å; S208-A212 PolarHBondContact O-N 3.12Å; I209-A212 PolarHBondContact O-N 2.86Å; I209-A212 VanDerWaalsContact O-N 3.13Å; E210-A212 VanDerWaalsContact C-N 3.29Å; E210-A212 PolarHBondContact O-N 3.49Å; A212-L240 HydrophobicContact CB-CD2 3.74Å; A212-W246 HydrophobicContact CB-CH2 3.92Å; A212-W246 HydrophobicContact CB-CZ2 3.59Å; A212-F250 HydrophobicContact CB-CE1 4.27Å; A212-F250 HydrophobicContact CB-CZ 4.38Å
213E92.2Very high89.8Confident33 Ų3317.9 Ų17.915%0.1549%0.093CC..Hα-helixtrans-124.64.3-170.6-58.5-17018000113.7I209 Q215 L240 K241I209-E213 HydrophobicContact CG2-CB 4.41Å; I209-E213 HydrophobicContact CG2-CG 4.14Å; I209-E213 WeakPolarHBondContact O-CB 3.35Å; I209-E213 PolarHBondContact O-N 2.97Å; E213-Q215 PolarHBondContact O-N 3.26Å; E213-Q215 VanDerWaalsContact O-N 3.09Å; E213-L240 HydrophobicContact CG-CD2 4.36Å; E213-L240 WeakPolarHBondContact OE1-CA 3.23Å; E213-K241 PolarHBondContact OE1-N 3.01Å; E213-K241 VanDerWaalsContact OE2-CD 3.3Å; E213-K241 WeakPolarHBondContact OE2-CD 3.41Å; E213-K241 WeakPolarHBondContact OE2-CE 3.47Å; E213-K241 WeakPolarHBondContact OE2-CG 3.32Å; E213-K241 IonicContact OE2-NZ 2.69Å
214L89.5Confident88.7Confident22 Ų2222.5 Ų22.512%0.11512%0.115CC..SBendtrans67.30176.7-57.7144.4000115.7Y106 P111 E210 P636Y106-L214 HydrophobicContact CD2-CD2 3.56Å; Y106-L214 HydrophobicContact CE2-CD2 4.37Å; Y106-L214 HydrophobicContact CG-CD2 4.13Å; Y106-L214 WeakPolarHBondContact O-CD2 3.38Å; P111-L214 HydrophobicContact CG-CD1 3.58Å; P111-L214 HydrophobicContact CG-CG 4.06Å; E210-L214 CarbonylContact O-C 3.43Å; E210-L214 WeakPolarHBondContact O-CA 3.22Å; E210-L214 PolarHBondContact O-N 3.02Å; L214-P636 HydrophobicContact CB-CB 4.29Å; L214-P636 HydrophobicContact CD1-CB 3.65Å; L214-P636 HydrophobicContact CD1-CG 3.28Å; L214-P636 HydrophobicContact CD2-CG 4.44Å; L214-P636 HydrophobicContact CG-CB 4.42Å; L214-P636 HydrophobicContact CG-CG 4.32Å
215Q89Confident87.7Confident29 Ų2928.5 Ų28.514%0.13614%0.137CC..SBendtrans-154.1151.2177.159.9-179.738.300109.5E213 F219E213-Q215 PolarHBondContact O-N 3.26Å; E213-Q215 VanDerWaalsContact O-N 3.09Å; Q215-F219 HydrophobicContact CB-CB 4.23Å; Q215-F219 HydrophobicContact CB-CD1 4.06Å; Q215-F219 HydrophobicContact CB-CG 4.29Å
216P91.8Very high86.9Confident4 Ų428.5 Ų28.53%0.02614%0.137CC..  trans-69.1164.7173.935-40.6000110.7Y180 W181 I206 F219Y180-P216 HydrophobicContact CG-CG 4.21Å; W181-P216 HydrophobicContact CD2-CB 4.21Å; W181-P216 HydrophobicContact CD2-CG 4.42Å; W181-P216 HydrophobicContact CE3-CB 4.4Å; W181-P216 HydrophobicContact CE3-CG 4.18Å; W181-P216 HydrophobicContact CH2-CB 4.09Å; W181-P216 HydrophobicContact CH2-CG 3.38Å; W181-P216 HydrophobicContact CZ2-CB 3.84Å; W181-P216 HydrophobicContact CZ2-CG 3.63Å; W181-P216 HydrophobicContact CZ3-CB 4.33Å; W181-P216 HydrophobicContact CZ3-CG 3.66Å; I206-P216 HydrophobicContact CG2-CB 3.73Å; P216-F219 HydrophobicContact CG-CB 3.96Å; P216-F219 HydrophobicContact CG-CD2 3.61Å; P216-F219 HydrophobicContact CG-CE2 4.42Å; P216-F219 HydrophobicContact CG-CG 4.04Å; P216-F219 WeakPolarHBondContact O-CB 3.28Å
217P89.9Confident85.9Confident18 Ų1828.9 Ų28.912%0.11714%0.139CC..THydrogen-bonded Turntrans-56.9147.7168.8-21.933.8000111.9I206 I209 F219 P238I206-P217 HydrophobicContact CD1-CG 4.21Å; I209-P217 HydrophobicContact CB-CG 4.45Å; I209-P217 HydrophobicContact CD1-CG 3.85Å; I209-P217 HydrophobicContact CG2-CG 4.02Å; P217-F219 PolarHBondContact O-N 3Å; P217-F219 VanDerWaalsContact O-N 3.14Å; P217-P238 HydrophobicContact CB-CB 3.68Å; P217-P238 HydrophobicContact CB-CG 3.73Å; P217-P238 HydrophobicContact CG-CB 3.41Å; P217-P238 VanDerWaalsContact CG-CB 3.41Å; P217-P238 HydrophobicContact CG-CG 3.77Å
218M84.8Confident85Confident52 Ų5233.4 Ų33.426%0.25616%0.159SC..THydrogen-bonded Turntrans6213.6177.2-55.6178.7-6800115.5Y180 D220 L221 A226 M230 F235Y180-M218 VanDerWaalsContact CE1-O 3.23Å; Y180-M218 WeakPolarHBondContact CE1-O 3.02Å; M218-D220 PolarHBondContact O-N 2.78Å; M218-D220 VanDerWaalsContact O-N 3.12Å; M218-L221 HydrophobicContact CB-CD1 3.98Å; M218-L221 HydrophobicContact CB-CG 4.3Å; M218-L221 HydrophobicContact CG-CD1 4.19Å; M218-L221 WeakPolarHBondContact O-CB 3.48Å; M218-L221 PolarHBondContact O-N 3.03Å; M218-L221 HydrophobicContact SD-CD1 4.5Å; M218-A226 HydrophobicContact CB-CB 4.4Å; M218-M230 HydrophobicContact CE-CG 3.93Å; M218-M230 HydrophobicContact CE-SD 4.08Å; M218-F235 HydrophobicContact CE-CE2 4.18Å; M218-F235 HydrophobicContact CE-CZ 4.39Å; M218-F235 HydrophobicContact SD-CE2 4.34Å
219F82.6Confident84.2Confident27 Ų2735.5 Ų35.512%0.11817%0.17CC..THydrogen-bonded Turntrans-58.8-26.5-178.6-163.9-121.1000114.3Y180 Q215 P216 P217 L221 M684Y180-F219 AromaticContact CD2-CD2 3.74Å; Y180-F219 HydrophobicContact CD2-CD2 3.74Å; Y180-F219 HydrophobicContact CD2-CE2 4.09Å; Y180-F219 AromaticContact CE2-CD2 3.78Å; Y180-F219 HydrophobicContact CE2-CD2 3.78Å; Y180-F219 AromaticContact CE2-CE2 3.99Å; Y180-F219 HydrophobicContact CE2-CE2 3.99Å; Y180-F219 HydrophobicContact CG-CD2 4.14Å; Q215-F219 HydrophobicContact CB-CB 4.23Å; Q215-F219 HydrophobicContact CB-CD1 4.06Å; Q215-F219 HydrophobicContact CB-CG 4.29Å; P216-F219 HydrophobicContact CG-CB 3.96Å; P216-F219 HydrophobicContact CG-CD2 3.61Å; P216-F219 HydrophobicContact CG-CE2 4.42Å; P216-F219 HydrophobicContact CG-CG 4.04Å; P216-F219 WeakPolarHBondContact O-CB 3.28Å; P217-F219 PolarHBondContact O-N 3Å; P217-F219 VanDerWaalsContact O-N 3.14Å; F219-L221 PolarHBondContact O-N 3.17Å; F219-M684 HydrophobicContact CD1-CE 4.31Å; F219-M684 HydrophobicContact CD2-CE 4.28Å; F219-M684 HydrophobicContact CE1-CE 3.72Å; F219-M684 HydrophobicContact CE2-CE 3.69Å; F219-M684 HydrophobicContact CE2-SD 4.34Å; F219-M684 HydrophobicContact CZ-CE 3.38Å; F219-M684 HydrophobicContact CZ-SD 4.45Å
220D74.9Confident83.5Confident76 Ų7635.7 Ų35.741%0.40617%0.17SC..THydrogen-bonded Turntrans-73.4-14176.5-57.2-38.3000112.9M218 R637M218-D220 PolarHBondContact O-N 2.78Å; M218-D220 VanDerWaalsContact O-N 3.12Å; D220-R637 IonicContact OD1-NH1 3.01Å; D220-R637 PolarHBondContact OD1-NH1 3.23Å; D220-R637 IonicContact OD2-CZ 3.99Å; D220-R637 IonicContact OD2-NH1 2.67Å; D220-R637 PolarHBondContact OD2-NH1 3.24Å
221L76.8Confident82.6Confident62 Ų6238.7 Ų38.733%0.32519%0.191SC..SBendtrans-88.2149.1179.7-57.5-175.6000111.2Y180 M218 F219 R225 L229 M688Y180-L221 WeakPolarHBondContact CE1-O 3.26Å; Y180-L221 PolarHBondContact OH-O 3.48Å; M218-L221 HydrophobicContact CB-CD1 3.98Å; M218-L221 HydrophobicContact CB-CG 4.3Å; M218-L221 HydrophobicContact CG-CD1 4.19Å; M218-L221 WeakPolarHBondContact O-CB 3.48Å; M218-L221 PolarHBondContact O-N 3.03Å; M218-L221 HydrophobicContact SD-CD1 4.5Å; F219-L221 PolarHBondContact O-N 3.17Å; L221-R225 HydrophobicContact CD1-CG 4.39Å; L221-L229 HydrophobicContact CD1-CD1 3.54Å; L221-M688 WeakPolarHBondContact O-CE 3.17Å
222H69.6Low81.8Confident28 Ų2842.2 Ų42.213%0.1321%0.207CC..  trans-55.6137.7168.3-172-91.8000110.6M224 R225 A226 M688H222-M224 VanDerWaalsContact C-N 3.31Å; H222-M224 PolarHBondContact ND1-N 2.91Å; H222-M224 PolarHBondContact O-N 3.06Å; H222-M224 VanDerWaalsContact O-N 3.15Å; H222-R225 HydrophobicContact CB-CB 4.34Å; H222-R225 WeakPolarHBondContact O-CA 3.43Å; H222-R225 VanDerWaalsContact O-CB 3.31Å; H222-R225 WeakPolarHBondContact O-CB 3.37Å; H222-R225 PolarHBondContact O-N 3.4Å; H222-A226 PolarHBondContact O-N 3.21Å; H222-A226 VanDerWaalsContact O-N 3.07Å; H222-M688 HydrophobicContact CB-CB 4.36Å
223P75Confident81Confident4 Ų447.7 Ų47.73%0.02625%0.245CC..Hα-helixtrans-43-49.3179.8-38.641.3000115.4P179 Y180 R225 A226 L227 Y681P179-P223 HydrophobicContact CG-CB 3.6Å; P179-P223 HydrophobicContact CG-CG 4.3Å; Y180-P223 HydrophobicContact CE2-CG 4.47Å; Y180-P223 VanDerWaalsContact OH-CD 3.3Å; Y180-P223 WeakPolarHBondContact OH-CD 3.38Å; Y180-P223 WeakPolarHBondContact OH-CG 3.14Å; P223-R225 VanDerWaalsContact C-N 3.29Å; P223-R225 PolarHBondContact O-N 2.83Å; P223-A226 PolarHBondContact O-N 2.79Å; P223-L227 WeakPolarHBondContact O-CG 3.14Å; P223-L227 PolarHBondContact O-N 3.2Å; P223-Y681 HydrophobicContact CG-CD1 4.34Å; P223-Y681 HydrophobicContact CG-CE1 3.76Å; P223-Y681 HydrophobicContact CG-CE2 4.14Å
224M70.4Confident80.6Confident104 Ų10451.5 Ų51.551%0.51227%0.266SS..Hα-helixtrans-64.7-33178.6-65.8-57.9-68.800112.9F175 H222 L227 F228F175-M224 HydrophobicContact CD2-SD 4.1Å; F175-M224 HydrophobicContact CG-SD 4.38Å; H222-M224 VanDerWaalsContact C-N 3.31Å; H222-M224 PolarHBondContact ND1-N 2.91Å; H222-M224 PolarHBondContact O-N 3.06Å; H222-M224 VanDerWaalsContact O-N 3.15Å; M224-L227 HydrophobicContact SD-CD1 3.96Å; M224-F228 VanDerWaalsContact O-CB 3.3Å; M224-F228 WeakPolarHBondContact O-CB 3.43Å; M224-F228 PolarHBondContact O-N 2.82Å
225R77.7Confident80.6Confident128 Ų12851.5 Ų51.548%0.48327%0.265SS..Hα-helixtrans-69.7-40.9176.7-176.857.4174.5-169.2-5.6110.8L221 H222 P223 F228 L229L221-R225 HydrophobicContact CD1-CG 4.39Å; H222-R225 HydrophobicContact CB-CB 4.34Å; H222-R225 WeakPolarHBondContact O-CA 3.43Å; H222-R225 VanDerWaalsContact O-CB 3.31Å; H222-R225 WeakPolarHBondContact O-CB 3.37Å; H222-R225 PolarHBondContact O-N 3.4Å; P223-R225 VanDerWaalsContact C-N 3.29Å; P223-R225 PolarHBondContact O-N 2.83Å; R225-F228 PolarHBondContact O-N 3.32Å; R225-L229 HydrophobicContact CG-CD1 4.42Å; R225-L229 VanDerWaalsContact O-CG 3.31Å; R225-L229 WeakPolarHBondContact O-CG 3.42Å; R225-L229 PolarHBondContact O-N 2.91Å
226A81.3Confident80.6Confident0 Ų057 Ų570%029%0.291CS..Hα-helixtrans-60.5-48.9174.400000111.1Y180 M218 H222 P223 F228 L229 M230Y180-A226 HydrophobicContact CD1-CB 4.08Å; Y180-A226 HydrophobicContact CE1-CB 4.04Å; M218-A226 HydrophobicContact CB-CB 4.4Å; H222-A226 PolarHBondContact O-N 3.21Å; H222-A226 VanDerWaalsContact O-N 3.07Å; P223-A226 PolarHBondContact O-N 2.79Å; A226-F228 PolarHBondContact O-N 2.85Å; A226-L229 PolarHBondContact O-N 2.77Å; A226-M230 VanDerWaalsContact O-CG 3.25Å; A226-M230 WeakPolarHBondContact O-CG 3.45Å; A226-M230 PolarHBondContact O-N 2.71Å
227L77.6Confident80.7Confident10 Ų1058.5 Ų58.55%0.05230%0.301CS..Hα-helixtrans-59.4-44.3176.9-68.3161.8000112.7F175 P179 M182 A187 P223 M224 L229 M230 S231F175-L227 HydrophobicContact CD1-CD1 3.64Å; F175-L227 HydrophobicContact CD2-CD1 4Å; F175-L227 HydrophobicContact CE1-CD1 3.23Å; F175-L227 HydrophobicContact CE1-CD2 3.8Å; F175-L227 HydrophobicContact CE1-CG 4.11Å; F175-L227 HydrophobicContact CE2-CD1 3.62Å; F175-L227 HydrophobicContact CG-CD1 4.02Å; F175-L227 HydrophobicContact CZ-CD1 3.23Å; F175-L227 HydrophobicContact CZ-CD2 3.71Å; F175-L227 HydrophobicContact CZ-CG 4.08Å; P179-L227 HydrophobicContact CB-CD1 3.93Å; P179-L227 HydrophobicContact CB-CD2 3.8Å; P179-L227 HydrophobicContact CB-CG 3.75Å; M182-L227 HydrophobicContact SD-CD2 4.12Å; A187-L227 HydrophobicContact CB-CD2 3.69Å; P223-L227 WeakPolarHBondContact O-CG 3.14Å; P223-L227 PolarHBondContact O-N 3.2Å; M224-L227 HydrophobicContact SD-CD1 3.96Å; L227-L229 VanDerWaalsContact C-N 3.34Å; L227-L229 PolarHBondContact O-N 3.23Å; L227-M230 PolarHBondContact O-N 2.82Å; L227-S231 PolarHBondContact O-N 2.9Å
228F77.4Confident80.9Confident100 Ų10058.7 Ų58.744%0.43930%0.302SS..Hα-helixtrans-61.1-41.9175.7173-104.5000112.2M224 R225 A226 M230 S231 K232M224-F228 VanDerWaalsContact O-CB 3.3Å; M224-F228 WeakPolarHBondContact O-CB 3.43Å; M224-F228 PolarHBondContact O-N 2.82Å; R225-F228 PolarHBondContact O-N 3.32Å; A226-F228 PolarHBondContact O-N 2.85Å; F228-M230 VanDerWaalsContact C-N 3.33Å; F228-S231 PolarHBondContact O-N 3.33Å; F228-S231 PolarHBondContact O-OG 3.03Å; F228-K232 VanDerWaalsContact CZ-CE 3.41Å; F228-K232 WeakPolarHBondContact O-CG 3.39Å
229L82.1Confident81.4Confident44 Ų4464 Ų6423%0.2332%0.323CS..Hα-helixtrans-65.4-39.1176.6-72.3173.8000111.5L221 R225 A226 L227 S231 K232 F235L221-L229 HydrophobicContact CD1-CD1 3.54Å; R225-L229 HydrophobicContact CG-CD1 4.42Å; R225-L229 VanDerWaalsContact O-CG 3.31Å; R225-L229 WeakPolarHBondContact O-CG 3.42Å; R225-L229 PolarHBondContact O-N 2.91Å; A226-L229 PolarHBondContact O-N 2.77Å; L227-L229 VanDerWaalsContact C-N 3.34Å; L227-L229 PolarHBondContact O-N 3.23Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-S231 PolarHBondContact O-N 2.85Å; L229-K232 HydrophobicContact CD2-CD 4.49Å; L229-K232 WeakPolarHBondContact O-CB 3.42Å; L229-K232 PolarHBondContact O-N 2.86Å; L229-F235 WeakPolarHBondContact O-CB 3.49Å; L229-F235 WeakPolarHBondContact O-CD2 3.48Å
230M81.7Confident81.9Confident3 Ų363 Ų632%0.01532%0.32CS..Hα-helixtrans-66.4-32.8178.2-70.7171.170.600113.5M182 P184 A187 M218 A226 L227 F228 K232 F235M182-M230 WeakPolarHBondContact O-CE 3.43Å; P184-M230 HydrophobicContact CG-CE 4.31Å; A187-M230 HydrophobicContact CB-CB 4.37Å; M218-M230 HydrophobicContact CE-CG 3.93Å; M218-M230 HydrophobicContact CE-SD 4.08Å; A226-M230 VanDerWaalsContact O-CG 3.25Å; A226-M230 WeakPolarHBondContact O-CG 3.45Å; A226-M230 PolarHBondContact O-N 2.71Å; L227-M230 PolarHBondContact O-N 2.82Å; F228-M230 VanDerWaalsContact C-N 3.33Å; M230-K232 VanDerWaalsContact C-N 3.26Å; M230-K232 PolarHBondContact O-N 3.25Å; M230-F235 HydrophobicContact CB-CE2 4.45Å; M230-F235 HydrophobicContact CB-CZ 4.5Å; M230-F235 HydrophobicContact CG-CD2 4.34Å; M230-F235 HydrophobicContact CG-CE1 4.3Å; M230-F235 HydrophobicContact CG-CE2 3.77Å; M230-F235 HydrophobicContact CG-CZ 3.75Å
231S77.1Confident82.7Confident63 Ų6366.6 Ų66.644%0.44133%0.332SS..Hα-helixtrans-75.7-11.4178.572.20000113.6L227 F228 L229L227-S231 PolarHBondContact O-N 2.9Å; F228-S231 PolarHBondContact O-N 3.33Å; F228-S231 PolarHBondContact O-OG 3.03Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-S231 PolarHBondContact O-N 2.85Å
232K80.9Confident83.2Confident75 Ų7567.3 Ų67.333%0.32634%0.336SS..SBendtrans-68.4143177.9-64.8-170.4176.6-174.40112.5F228 L229 M230 N234 F235 K260F228-K232 VanDerWaalsContact CZ-CE 3.41Å; F228-K232 WeakPolarHBondContact O-CG 3.39Å; L229-K232 HydrophobicContact CD2-CD 4.49Å; L229-K232 WeakPolarHBondContact O-CB 3.42Å; L229-K232 PolarHBondContact O-N 2.86Å; M230-K232 VanDerWaalsContact C-N 3.26Å; M230-K232 PolarHBondContact O-N 3.25Å; K232-N234 VanDerWaalsContact C-N 3.28Å; K232-N234 WeakPolarHBondContact CB-OD1 3.3Å; K232-N234 PolarHBondContact O-N 2.79Å; K232-F235 VanDerWaalsContact O-CB 3.25Å; K232-F235 WeakPolarHBondContact O-CB 3.37Å; K232-F235 PolarHBondContact O-N 2.81Å; K232-F235 VanDerWaalsContact O-N 3.11Å; K232-K260 PolarHBondContact O-NZ 2.96Å
233S78.1Confident84Confident119 Ų11973.5 Ų73.583%0.83236%0.362SS*.THydrogen-bonded Turntrans-58.6-39.517855.60000112.2F235 K260S233-F235 VanDerWaalsContact C-N 3.32Å; S233-F235 PolarHBondContact O-N 3.17Å; S233-K260 PolarHBondContact O-NZ 3.39Å
234N84.9Confident84.7Confident114 Ų11480.8 Ų80.861%0.6140%0.401SS*.THydrogen-bonded Turntrans-83.53.4179.470.4-20.1000115K232 Q236K232-N234 VanDerWaalsContact C-N 3.28Å; K232-N234 WeakPolarHBondContact CB-OD1 3.3Å; K232-N234 PolarHBondContact O-N 2.79Å; N234-Q236 PolarHBondContact O-N 2.93Å
235F88.3Confident85.7Confident21 Ų2181.4 Ų81.49%0.09240%0.401CS..PPolyproline II helixtrans-55125.9177.3175.6-104.9000111.3P184 W202 M218 L229 M230 K232 S233 K260P184-F235 HydrophobicContact CG-CD1 4.11Å; P184-F235 HydrophobicContact CG-CE1 3.82Å; W202-F235 AromaticContact CH2-CE1 3.94Å; W202-F235 HydrophobicContact CH2-CE1 3.94Å; W202-F235 HydrophobicContact CZ2-CE1 4.17Å; M218-F235 HydrophobicContact CE-CE2 4.18Å; M218-F235 HydrophobicContact CE-CZ 4.39Å; M218-F235 HydrophobicContact SD-CE2 4.34Å; L229-F235 WeakPolarHBondContact O-CB 3.49Å; L229-F235 WeakPolarHBondContact O-CD2 3.48Å; M230-F235 HydrophobicContact CB-CE2 4.45Å; M230-F235 HydrophobicContact CB-CZ 4.5Å; M230-F235 HydrophobicContact CG-CD2 4.34Å; M230-F235 HydrophobicContact CG-CE1 4.3Å; M230-F235 HydrophobicContact CG-CE2 3.77Å; M230-F235 HydrophobicContact CG-CZ 3.75Å; K232-F235 VanDerWaalsContact O-CB 3.25Å; K232-F235 WeakPolarHBondContact O-CB 3.37Å; K232-F235 PolarHBondContact O-N 2.81Å; K232-F235 VanDerWaalsContact O-N 3.11Å; S233-F235 VanDerWaalsContact C-N 3.32Å; S233-F235 PolarHBondContact O-N 3.17Å; F235-K260 PolarHBondContact O-NZ 3.32Å
236Q90.6Very high86.5Confident145 Ų14576.3 Ų76.368%0.67838%0.382SS*.PPolyproline II helixtrans-98.7130.3176-65-59.5-39.700109.7N234N234-Q236 PolarHBondContact O-N 2.93Å
237P93.4Very high87.3Confident35 Ų3578.4 Ų78.423%0.22740%0.396CS..PPolyproline II helixtrans-56.5140.9174.2-26.735.6000112.4W202 L258 K260W202-P237 HydrophobicContact CH2-CB 4.04Å; W202-P237 HydrophobicContact CH2-CG 4.33Å; W202-P237 HydrophobicContact CZ3-CB 4.45Å; P237-L258 HydrophobicContact CB-CB 4.03Å; P237-L258 VanDerWaalsContact CB-O 3.24Å; P237-L258 WeakPolarHBondContact CB-O 3.35Å; P237-L258 VanDerWaalsContact CG-O 3.26Å; P237-L258 WeakPolarHBondContact CG-O 3.36Å; P237-K260 HydrophobicContact CG-CB 4.25Å
238P94.5Very high88.2Confident22 Ų2282 Ų8214%0.14343%0.428CS..PPolyproline II helixtrans-58.4159176.6-2534000113.8I206 I209 P217 L258I206-P238 HydrophobicContact CD1-CG 4.15Å; I209-P238 HydrophobicContact CD1-CB 4.01Å; P217-P238 HydrophobicContact CB-CB 3.68Å; P217-P238 HydrophobicContact CB-CG 3.73Å; P217-P238 HydrophobicContact CG-CB 3.41Å; P217-P238 VanDerWaalsContact CG-CB 3.41Å; P217-P238 HydrophobicContact CG-CG 3.77Å; P238-L258 HydrophobicContact CB-CD1 4.26Å; P238-L258 WeakPolarHBondContact O-CD1 3.48Å
239K95.4Very high89.1Confident163 Ų16378.6 Ų78.671%0.70942%0.418SS*.  trans-139.6162.3176-60.3178.5-175173.40108.8
240L93.3Very high89.9Confident7 Ų776.5 Ų76.54%0.03741%0.407CS..  trans-62.4138.3169.4-66.6162.2000110.1I209 A212 E213 W246 F250 I254I209-L240 HydrophobicContact CG1-CD2 4.17Å; I209-L240 HydrophobicContact CG2-CD2 4.43Å; A212-L240 HydrophobicContact CB-CD2 3.74Å; E213-L240 HydrophobicContact CG-CD2 4.36Å; E213-L240 WeakPolarHBondContact OE1-CA 3.23Å; L240-W246 HydrophobicContact CD1-CB 3.99Å; L240-W246 HydrophobicContact CD1-CD2 4.41Å; L240-W246 HydrophobicContact CD1-CG 3.74Å; L240-F250 HydrophobicContact CD1-CD1 3.75Å; L240-F250 HydrophobicContact CD1-CE1 3.68Å; L240-F250 HydrophobicContact CD1-CG 4.33Å; L240-F250 HydrophobicContact CD1-CZ 4.23Å; L240-F250 HydrophobicContact CD2-CE1 4.39Å; L240-I254 HydrophobicContact CD1-CD1 3.38Å; L240-I254 HydrophobicContact CD2-CD1 3.88Å; L240-I254 HydrophobicContact CG-CD1 3.44Å; L240-I254 VanDerWaalsContact CG-CD1 3.44Å
241K89.8Confident90.6Very high151 Ų15178.7 Ų78.766%0.65742%0.417SS*.SBendtrans-68.1-47.9-177.7-68.8173.4-173.4166.40111.9E213E213-K241 PolarHBondContact OE1-N 3.01Å; E213-K241 VanDerWaalsContact OE2-CD 3.3Å; E213-K241 WeakPolarHBondContact OE2-CD 3.41Å; E213-K241 WeakPolarHBondContact OE2-CE 3.47Å; E213-K241 WeakPolarHBondContact OE2-CG 3.32Å; E213-K241 IonicContact OE2-NZ 2.69Å
242D87.4Confident91.6Very high78 Ų7879.1 Ų79.142%0.41741%0.414SS..  trans-87.5112178.4-169.9-24.8000109.9N244 K245D242-N244 PolarHBondContact OD1-N 2.84Å; D242-K245 HydrophobicContact CB-CB 4Å; D242-K245 VanDerWaalsContact CG-CB 3.43Å; D242-K245 PolarHBondContact OD1-N 2.82Å; D242-K245 VanDerWaalsContact OD1-N 3.08Å; D242-K245 WeakPolarHBondContact OD2-CB 3.21Å
243K86.9Confident92.5Very high157 Ų15775.5 Ų75.568%0.68340%0.399SS*.SBendtrans-77.3-29.6-178.5-68-179.3-176.3171.80113H251K243-H251 PolarHBondContact O-NE2 2.8Å; K243-H251 VanDerWaalsContact O-NE2 3.14Å
244N89.1Confident93.4Very high157 Ų15770 Ų7084%0.8436%0.36SS*.SBendtrans-91.4-23.1-169.2-64.6-18.7000112.1D242 W246D242-N244 PolarHBondContact OD1-N 2.84Å; N244-W246 VanDerWaalsContact C-N 3.32Å; N244-W246 PolarHBondContact O-N 2.92Å
245K91.8Very high94Very high118 Ų11871.8 Ų71.851%0.51336%0.362SS..SBendtrans-67.5-27.6178-178.3174.1-179.9-179.60114.4D242D242-K245 HydrophobicContact CB-CB 4Å; D242-K245 VanDerWaalsContact CG-CB 3.43Å; D242-K245 PolarHBondContact OD1-N 2.82Å; D242-K245 VanDerWaalsContact OD1-N 3.08Å; D242-K245 WeakPolarHBondContact OD2-CB 3.21Å
246W95.6Very high94.5Very high21 Ų2173 Ų738%0.0837%0.371CS..SBendtrans-119145.4-167.4-55110.5000112.4E114 I117 A212 L240 N244 F250 H251E114-W246 HydrophobicContact CB-CE3 3.92Å; E114-W246 HydrophobicContact CB-CZ3 3.88Å; E114-W246 HydrophobicContact CG-CE3 4.24Å; I117-W246 HydrophobicContact CD1-CH2 4.31Å; I117-W246 HydrophobicContact CD1-CZ3 4.38Å; A212-W246 HydrophobicContact CB-CH2 3.92Å; A212-W246 HydrophobicContact CB-CZ2 3.59Å; L240-W246 HydrophobicContact CD1-CB 3.99Å; L240-W246 HydrophobicContact CD1-CD2 4.41Å; L240-W246 HydrophobicContact CD1-CG 3.74Å; N244-W246 VanDerWaalsContact C-N 3.32Å; N244-W246 PolarHBondContact O-N 2.92Å; W246-F250 HydrophobicContact CB-CD1 3.89Å; W246-F250 AromaticContact CD2-CD1 3.84Å; W246-F250 HydrophobicContact CD2-CD1 3.84Å; W246-F250 AromaticContact CD2-CE1 3.85Å; W246-F250 HydrophobicContact CD2-CE1 3.85Å; W246-F250 AromaticContact CE3-CD1 3.63Å; W246-F250 HydrophobicContact CE3-CD1 3.63Å; W246-F250 AromaticContact CE3-CE1 3.69Å; W246-F250 HydrophobicContact CE3-CE1 3.69Å; W246-F250 AromaticContact CG-CD1 3.97Å; W246-F250 HydrophobicContact CG-CD1 3.97Å; W246-F250 HydrophobicContact CG-CE1 4.28Å; W246-F250 HydrophobicContact CZ3-CD1 4.41Å; W246-F250 HydrophobicContact CZ3-CE1 4.1Å; W246-H251 PolarHBondContact O-CD2 2.91Å
247S97Very high94.8Very high43 Ų4366 Ų6630%0.30134%0.338SS..  trans-65.9156.9-177.782.40000112.9E114 A249 F250 H251E114-S247 WeakPolarHBondContact OE1-CB 3.27Å; E114-S247 PolarHBondContact OE1-OG 3.36Å; E114-S247 PolarHBondContact OE2-N 3.17Å; S247-A249 PolarHBondContact O-N 2.88Å; S247-A249 PolarHBondContact OG-N 3.01Å; S247-F250 PolarHBondContact O-N 2.86Å; S247-F250 VanDerWaalsContact O-N 3.11Å; S247-F250 PolarHBondContact OG-N 3.11Å; S247-F250 VanDerWaalsContact OG-N 3.13Å; S247-H251 PolarHBondContact O-CD2 2.76Å; S247-H251 VanDerWaalsContact O-CD2 3.28Å; S247-H251 PolarHBondContact O-N 2.85Å; S247-H251 VanDerWaalsContact O-N 3.08Å
248A96.8Very high95Very high87 Ų8764.5 Ų64.572%0.71933%0.328SS*.Hα-helixtrans-58.9-31.1172.800000112.4N252A248-N252 WeakPolarHBondContact O-CB 3.31Å; A248-N252 PolarHBondContact O-N 3.03Å
249A97.1Very high95Very high27 Ų2765 Ų6522%0.22333%0.331CS..Hα-helixtrans-65.1-44.1175.300000111.4S247 N252 F253 H274 V275S247-A249 PolarHBondContact O-N 2.88Å; S247-A249 PolarHBondContact OG-N 3.01Å; A249-N252 PolarHBondContact O-N 2.9Å; A249-F253 PolarHBondContact O-N 2.73Å; A249-H274 PolarHBondContact O-CE1 3.08Å; A249-V275 HydrophobicContact CB-CG1 3.82Å
250F98.1Very high94.8Very high0 Ų060.4 Ų60.40%031%0.311CS..Hα-helixtrans-67.9-43.5178.8-172.7-156.4000112.2E114 I117 A212 L240 W246 S247 N252 F253 I254 F276E114-F250 HydrophobicContact CG-CB 4.19Å; E114-F250 HydrophobicContact CG-CD1 3.95Å; E114-F250 HydrophobicContact CG-CG 4.21Å; I117-F250 HydrophobicContact CD1-CE1 4.18Å; I117-F250 HydrophobicContact CD1-CZ 4.04Å; I117-F250 HydrophobicContact CG2-CE2 3.98Å; I117-F250 HydrophobicContact CG2-CZ 3.84Å; A212-F250 HydrophobicContact CB-CE1 4.27Å; A212-F250 HydrophobicContact CB-CZ 4.38Å; L240-F250 HydrophobicContact CD1-CD1 3.75Å; L240-F250 HydrophobicContact CD1-CE1 3.68Å; L240-F250 HydrophobicContact CD1-CG 4.33Å; L240-F250 HydrophobicContact CD1-CZ 4.23Å; L240-F250 HydrophobicContact CD2-CE1 4.39Å; W246-F250 HydrophobicContact CB-CD1 3.89Å; W246-F250 AromaticContact CD2-CD1 3.84Å; W246-F250 HydrophobicContact CD2-CD1 3.84Å; W246-F250 AromaticContact CD2-CE1 3.85Å; W246-F250 HydrophobicContact CD2-CE1 3.85Å; W246-F250 AromaticContact CE3-CD1 3.63Å; W246-F250 HydrophobicContact CE3-CD1 3.63Å; W246-F250 AromaticContact CE3-CE1 3.69Å; W246-F250 HydrophobicContact CE3-CE1 3.69Å; W246-F250 AromaticContact CG-CD1 3.97Å; W246-F250 HydrophobicContact CG-CD1 3.97Å; W246-F250 HydrophobicContact CG-CE1 4.28Å; W246-F250 HydrophobicContact CZ3-CD1 4.41Å; W246-F250 HydrophobicContact CZ3-CE1 4.1Å; S247-F250 PolarHBondContact O-N 2.86Å; S247-F250 VanDerWaalsContact O-N 3.11Å; S247-F250 PolarHBondContact OG-N 3.11Å; S247-F250 VanDerWaalsContact OG-N 3.13Å; F250-N252 VanDerWaalsContact C-N 3.28Å; F250-N252 PolarHBondContact O-N 3.28Å; F250-F253 WeakPolarHBondContact O-CB 3.47Å; F250-F253 PolarHBondContact O-N 2.83Å; F250-I254 HydrophobicContact CD2-CD1 4.09Å; F250-I254 HydrophobicContact CD2-CG1 4.2Å; F250-I254 HydrophobicContact CE1-CD1 4.45Å; F250-I254 HydrophobicContact CE2-CD1 3.67Å; F250-I254 HydrophobicContact CE2-CG1 3.91Å; F250-I254 HydrophobicContact CZ-CD1 3.85Å; F250-I254 PolarHBondContact O-N 2.99Å; F250-F276 HydrophobicContact CB-CD2 3.8Å; F250-F276 HydrophobicContact CB-CE2 3.53Å; F250-F276 HydrophobicContact CB-CZ 4.23Å; F250-F276 HydrophobicContact CD1-CE2 4.39Å; F250-F276 HydrophobicContact CD1-CZ 4.48Å; F250-F276 HydrophobicContact CD2-CD1 4.22Å; F250-F276 HydrophobicContact CD2-CD2 4.06Å; F250-F276 AromaticContact CD2-CE1 3.62Å; F250-F276 HydrophobicContact CD2-CE1 3.62Å; F250-F276 AromaticContact CD2-CE2 3.43Å; F250-F276 HydrophobicContact CD2-CE2 3.43Å; F250-F276 VanDerWaalsContact CD2-CE2 3.43Å; F250-F276 HydrophobicContact CD2-CG 4.43Å; F250-F276 AromaticContact CD2-CZ 3.18Å; F250-F276 HydrophobicContact CD2-CZ 3.18Å; F250-F276 AromaticContact CE2-CE1 3.86Å; F250-F276 HydrophobicContact CE2-CE1 3.86Å; F250-F276 HydrophobicContact CE2-CE2 4.22Å; F250-F276 AromaticContact CE2-CZ 3.53Å; F250-F276 HydrophobicContact CE2-CZ 3.53Å; F250-F276 HydrophobicContact CG-CD2 4.22Å; F250-F276 AromaticContact CG-CE2 3.54Å; F250-F276 HydrophobicContact CG-CE2 3.54Å; F250-F276 AromaticContact CG-CZ 3.74Å; F250-F276 HydrophobicContact CG-CZ 3.74Å; F250-F276 HydrophobicContact CZ-CZ 4.35Å
251H97.7Very high94.6Very high50 Ų5063.5 Ų63.523%0.23133%0.328CS..Hα-helixtrans-58.2-40.3172.6-78.8-72.5000112.3K243 W246 S247 K255K243-H251 PolarHBondContact O-NE2 2.8Å; K243-H251 VanDerWaalsContact O-NE2 3.14Å; W246-H251 PolarHBondContact O-CD2 2.91Å; S247-H251 PolarHBondContact O-CD2 2.76Å; S247-H251 VanDerWaalsContact O-CD2 3.28Å; S247-H251 PolarHBondContact O-N 2.85Å; S247-H251 VanDerWaalsContact O-N 3.08Å; H251-K255 WeakPolarHBondContact O-CB 3.34Å; H251-K255 PolarHBondContact O-N 2.91Å
252N97.9Very high94.5Very high71 Ų7157.9 Ų57.938%0.3831%0.307SS..Hα-helixtrans-66.6-43.4176.7-164.7-90000111.7A248 A249 F250 I254 K255 V256 H274A248-N252 WeakPolarHBondContact O-CB 3.31Å; A248-N252 PolarHBondContact O-N 3.03Å; A249-N252 PolarHBondContact O-N 2.9Å; F250-N252 VanDerWaalsContact C-N 3.28Å; F250-N252 PolarHBondContact O-N 3.28Å; N252-I254 VanDerWaalsContact C-N 3.34Å; N252-I254 PolarHBondContact O-N 3.4Å; N252-K255 WeakPolarHBondContact O-CB 3.43Å; N252-K255 PolarHBondContact O-N 3.33Å; N252-K255 VanDerWaalsContact O-N 3.15Å; N252-V256 WeakPolarHBondContact O-CG2 3.45Å; N252-V256 PolarHBondContact O-N 3.04Å; N252-H274 PolarHBondContact OD1-NE2 3.07Å
253F98.4Very high94.6Very high0 Ų063.5 Ų63.50%033%0.327CS..Hα-helixtrans-56.3-47.5177.1179.1-98.1000111.8C121 L125 V204 A249 F250 V256 S257 L271 H274 F276 V277C121-F253 HydrophobicContact CB-CE1 4.22Å; C121-F253 HydrophobicContact CB-CZ 3.95Å; L125-F253 HydrophobicContact CD1-CE2 4.06Å; L125-F253 HydrophobicContact CD1-CZ 4.05Å; V204-F253 HydrophobicContact CG1-CE1 4.35Å; V204-F253 HydrophobicContact CG1-CZ 4.15Å; A249-F253 PolarHBondContact O-N 2.73Å; F250-F253 WeakPolarHBondContact O-CB 3.47Å; F250-F253 PolarHBondContact O-N 2.83Å; F253-V256 PolarHBondContact O-N 2.83Å; F253-S257 VanDerWaalsContact O-CB 3.31Å; F253-S257 WeakPolarHBondContact O-CB 3.42Å; F253-S257 PolarHBondContact O-N 3.48Å; F253-S257 PolarHBondContact O-OG 2.89Å; F253-L271 HydrophobicContact CD2-CD1 3.86Å; F253-L271 HydrophobicContact CD2-CG 4.31Å; F253-L271 HydrophobicContact CE2-CD1 3.74Å; F253-L271 HydrophobicContact CE2-CD2 3.95Å; F253-L271 HydrophobicContact CE2-CG 3.66Å; F253-L271 HydrophobicContact CZ-CD2 4.15Å; F253-L271 HydrophobicContact CZ-CG 4.35Å; F253-H274 HydrophobicContact CD2-CB 4.31Å; F253-H274 AromaticContact CD2-CG 3.99Å; F253-H274 AromaticContact CD2-ND1 3.72Å; F253-H274 PolarHBondContact N-CE1 3.21Å; F253-F276 HydrophobicContact CB-CB 3.82Å; F253-F276 HydrophobicContact CB-CD1 3.79Å; F253-F276 HydrophobicContact CB-CG 3.9Å; F253-F276 AromaticContact CD1-CD1 3.61Å; F253-F276 HydrophobicContact CD1-CD1 3.61Å; F253-F276 AromaticContact CD1-CE1 3.88Å; F253-F276 HydrophobicContact CD1-CE1 3.88Å; F253-F276 HydrophobicContact CD2-CB 4.11Å; F253-F276 AromaticContact CD2-CD1 3.74Å; F253-F276 HydrophobicContact CD2-CD1 3.74Å; F253-F276 HydrophobicContact CD2-CG 4.35Å; F253-F276 HydrophobicContact CE1-CD1 4.08Å; F253-F276 HydrophobicContact CE1-CE1 4.18Å; F253-F276 HydrophobicContact CE2-CD1 4.17Å; F253-F276 HydrophobicContact CG-CB 4.11Å; F253-F276 AromaticContact CG-CD1 3.42Å; F253-F276 HydrophobicContact CG-CD1 3.42Å; F253-F276 VanDerWaalsContact CG-CD1 3.42Å; F253-F276 HydrophobicContact CG-CE1 4.17Å; F253-F276 HydrophobicContact CG-CG 4.03Å; F253-F276 HydrophobicContact CZ-CD1 4.33Å; F253-V277 HydrophobicContact CD2-CG1 4.36Å; F253-V277 HydrophobicContact CE2-CG1 3.75Å; F253-V277 HydrophobicContact CE2-CG2 4.45Å; F253-V277 HydrophobicContact CZ-CG1 4.14Å
254I98.1Very high94.9Very high4 Ų463.9 Ų63.92%0.02133%0.329CS..Hα-helixtrans-63.2-46.2176.1-69.2173.8000110.7I209 L240 F250 N252 V256 S257 L258I209-I254 HydrophobicContact CD1-CG2 4Å; I209-I254 HydrophobicContact CG1-CD1 3.88Å; I209-I254 HydrophobicContact CG1-CG2 4.25Å; L240-I254 HydrophobicContact CD1-CD1 3.38Å; L240-I254 HydrophobicContact CD2-CD1 3.88Å; L240-I254 HydrophobicContact CG-CD1 3.44Å; L240-I254 VanDerWaalsContact CG-CD1 3.44Å; F250-I254 HydrophobicContact CD2-CD1 4.09Å; F250-I254 HydrophobicContact CD2-CG1 4.2Å; F250-I254 HydrophobicContact CE1-CD1 4.45Å; F250-I254 HydrophobicContact CE2-CD1 3.67Å; F250-I254 HydrophobicContact CE2-CG1 3.91Å; F250-I254 HydrophobicContact CZ-CD1 3.85Å; F250-I254 PolarHBondContact O-N 2.99Å; N252-I254 VanDerWaalsContact C-N 3.34Å; N252-I254 PolarHBondContact O-N 3.4Å; I254-V256 VanDerWaalsContact C-N 3.32Å; I254-V256 PolarHBondContact O-N 3.05Å; I254-S257 PolarHBondContact O-N 2.95Å; I254-L258 HydrophobicContact CG2-CD1 3.59Å; I254-L258 HydrophobicContact CG2-CG 4.17Å; I254-L258 VanDerWaalsContact O-CB 3.32Å; I254-L258 WeakPolarHBondContact O-CB 3.35Å; I254-L258 WeakPolarHBondContact O-CG 3.32Å; I254-L258 PolarHBondContact O-N 2.95Å
255K97.6Very high95.2Very high151 Ų15156.8 Ų56.866%0.65729%0.29SS*.Hα-helixtrans-57.6-44.1179.5179.7-175.3177-174.90112.1H251 N252H251-K255 WeakPolarHBondContact O-CB 3.34Å; H251-K255 PolarHBondContact O-N 2.91Å; N252-K255 WeakPolarHBondContact O-CB 3.43Å; N252-K255 PolarHBondContact O-N 3.33Å; N252-K255 VanDerWaalsContact O-N 3.15Å
256V97.5Very high95.5Very high45 Ų4552 Ų5227%0.27327%0.272SS..Hα-helixtrans-72.4-43-178.7178.20000110.4N252 F253 I254 L258 T259 P266N252-V256 WeakPolarHBondContact O-CG2 3.45Å; N252-V256 PolarHBondContact O-N 3.04Å; F253-V256 PolarHBondContact O-N 2.83Å; I254-V256 VanDerWaalsContact C-N 3.32Å; I254-V256 PolarHBondContact O-N 3.05Å; V256-L258 PolarHBondContact O-N 2.78Å; V256-T259 WeakPolarHBondContact O-CB 3.43Å; V256-T259 PolarHBondContact O-N 3.36Å; V256-T259 PolarHBondContact O-OG1 2.77Å; V256-P266 HydrophobicContact CG1-CG 3.65Å
257S97.4Very high95.5Very high0 Ų053.3 Ų53.30%028%0.282CS..Hα-helixtrans-61.4-42.5177-56.60000112.1F253 I254 T259 R265 L271F253-S257 VanDerWaalsContact O-CB 3.31Å; F253-S257 WeakPolarHBondContact O-CB 3.42Å; F253-S257 PolarHBondContact O-N 3.48Å; F253-S257 PolarHBondContact O-OG 2.89Å; I254-S257 PolarHBondContact O-N 2.95Å; S257-T259 PolarHBondContact O-N 3.35Å; S257-R265 WeakPolarHBondContact O-CD 3.25Å; S257-L271 WeakPolarHBondContact OG-CD2 3.41Å
258L97.3Very high95.5Very high2 Ų251.4 Ų51.41%0.0127%0.268CS..THydrogen-bonded Turntrans-87.534.1179-57.2-177.2000113.1W202 I206 I209 P237 P238 I254 V256 K260W202-L258 HydrophobicContact CD2-CD2 3.69Å; W202-L258 HydrophobicContact CE3-CB 4.22Å; W202-L258 HydrophobicContact CE3-CD2 4.05Å; W202-L258 HydrophobicContact CG-CD2 4.01Å; W202-L258 HydrophobicContact CH2-CB 4.26Å; W202-L258 HydrophobicContact CH2-CD2 4.48Å; W202-L258 HydrophobicContact CZ2-CD2 4.18Å; W202-L258 VanDerWaalsContact CZ3-C 3.44Å; W202-L258 HydrophobicContact CZ3-CB 4.01Å; W202-L258 HydrophobicContact CZ3-CD2 4.44Å; W202-L258 WeakPolarHBondContact CZ3-O 3.4Å; W202-L258 VanDerWaalsContact O-CD2 3.3Å; W202-L258 WeakPolarHBondContact O-CD2 3.44Å; I206-L258 HydrophobicContact CD1-CD1 4.09Å; I206-L258 HydrophobicContact CD1-CD2 3.7Å; I206-L258 HydrophobicContact CG1-CD2 3.89Å; I209-L258 HydrophobicContact CD1-CD1 3.87Å; P237-L258 HydrophobicContact CB-CB 4.03Å; P237-L258 VanDerWaalsContact CB-O 3.24Å; P237-L258 WeakPolarHBondContact CB-O 3.35Å; P237-L258 VanDerWaalsContact CG-O 3.26Å; P237-L258 WeakPolarHBondContact CG-O 3.36Å; P238-L258 HydrophobicContact CB-CD1 4.26Å; P238-L258 WeakPolarHBondContact O-CD1 3.48Å; I254-L258 HydrophobicContact CG2-CD1 3.59Å; I254-L258 HydrophobicContact CG2-CG 4.17Å; I254-L258 VanDerWaalsContact O-CB 3.32Å; I254-L258 WeakPolarHBondContact O-CB 3.35Å; I254-L258 WeakPolarHBondContact O-CG 3.32Å; I254-L258 PolarHBondContact O-N 2.95Å; V256-L258 PolarHBondContact O-N 2.78Å; L258-K260 PolarHBondContact O-N 2.82Å
259T95.7Very high95.4Very high34 Ų3454.1 Ų54.121%0.20927%0.267CS..  trans-69.1115.3171.7-63.50000109.7V256 S257 N261 K264 R265V256-T259 WeakPolarHBondContact O-CB 3.43Å; V256-T259 PolarHBondContact O-N 3.36Å; V256-T259 PolarHBondContact O-OG1 2.77Å; S257-T259 PolarHBondContact O-N 3.35Å; T259-N261 PolarHBondContact O-N 2.79Å; T259-K264 HydrophobicContact CG2-CB 3.84Å; T259-R265 PolarHBondContact O-NE 2.81Å; T259-R265 PolarHBondContact O-NH2 2.81Å
260K90.3Very high95.4Very high66 Ų6659.6 Ų59.629%0.28729%0.285SS..SBendtrans-57.7-41.9-177.1-176.2177.4-176.5172.70113.2P184 K232 S233 F235 P237 L258 P262P184-K260 HydrophobicContact CB-CG 4.39Å; P184-K260 HydrophobicContact CG-CG 4.31Å; K232-K260 PolarHBondContact O-NZ 2.96Å; S233-K260 PolarHBondContact O-NZ 3.39Å; F235-K260 PolarHBondContact O-NZ 3.32Å; P237-K260 HydrophobicContact CG-CB 4.25Å; L258-K260 PolarHBondContact O-N 2.82Å; K260-P262 VanDerWaalsContact O-CD 3.29Å; K260-P262 WeakPolarHBondContact O-CD 3.48Å
261N89Confident95.3Very high72 Ų7259.7 Ų59.739%0.38529%0.286SS..SBendtrans-79.4112.6178.4-177.4-13.9000109.9T259 K263 K264 R265T259-N261 PolarHBondContact O-N 2.79Å; N261-K263 PolarHBondContact O-N 2.95Å; N261-K263 WeakPolarHBondContact OD1-CB 3.17Å; N261-K263 PolarHBondContact OD1-N 3.49Å; N261-K264 HydrophobicContact CB-CB 4.39Å; N261-K264 HydrophobicContact CB-CG 4.42Å; N261-K264 PolarHBondContact O-N 2.83Å; N261-R265 PolarHBondContact O-N 3.45Å
262P88.1Confident95.3Very high33 Ų3359.5 Ų59.521%0.21429%0.286CS..G310 helixtrans-60.2-32.1-177.324.3-34.1000112.1E185 L198 K260 K264 R265E185-P262 HydrophobicContact CB-CG 4.33Å; E185-P262 HydrophobicContact CG-CB 4.34Å; E185-P262 HydrophobicContact CG-CG 4.17Å; L198-P262 WeakPolarHBondContact CD1-O 3.33Å; K260-P262 VanDerWaalsContact O-CD 3.29Å; K260-P262 WeakPolarHBondContact O-CD 3.48Å; P262-K264 PolarHBondContact O-N 3.01Å; P262-R265 PolarHBondContact O-N 3.19Å; P262-R265 VanDerWaalsContact O-N 3.16Å
263K88.9Confident95.3Very high196 Ų19662.9 Ų62.985%0.85230%0.303SS*.G310 helixtrans-64.9-21.7177.7-61.7-176.2178.7-178.50113.6N261N261-K263 PolarHBondContact O-N 2.95Å; N261-K263 WeakPolarHBondContact OD1-CB 3.17Å; N261-K263 PolarHBondContact OD1-N 3.49Å
264K93.9Very high95.3Very high164 Ų16464.2 Ų64.271%0.71331%0.31SS*.G310 helixtrans-101.8-9.4178.3-65.8-173.2177.1-174.50112.9T259 N261 P262T259-K264 HydrophobicContact CG2-CB 3.84Å; N261-K264 HydrophobicContact CB-CB 4.39Å; N261-K264 HydrophobicContact CB-CG 4.42Å; N261-K264 PolarHBondContact O-N 2.83Å; P262-K264 PolarHBondContact O-N 3.01Å
265R95.9Very high95.2Very high8 Ų868.6 Ų68.63%0.0334%0.337CS..SBendtrans-73.6134.5179.2-164.3-179.7-58.3148.55.7108.9E185 L198 I201 S257 T259 N261 P262E185-R265 IonicContact OE1-CZ 3.78Å; E185-R265 IonicContact OE1-NH1 3.79Å; E185-R265 PolarHBondContact OE1-NH1 2.81Å; E185-R265 IonicContact OE1-NH2 2.86Å; E185-R265 PolarHBondContact OE1-NH2 2.82Å; E185-R265 IonicContact OE2-CZ 3.2Å; E185-R265 IonicContact OE2-NH1 2.94Å; E185-R265 IonicContact OE2-NH2 2.71Å; E185-R265 PolarHBondContact OE2-NH2 3.5Å; L198-R265 VanDerWaalsContact O-CD 3.27Å; L198-R265 WeakPolarHBondContact O-CD 3.22Å; L198-R265 PolarHBondContact O-NH1 2.84Å; I201-R265 HydrophobicContact CB-CG 4.37Å; I201-R265 HydrophobicContact CG2-CG 4.06Å; S257-R265 WeakPolarHBondContact O-CD 3.25Å; T259-R265 PolarHBondContact O-NE 2.81Å; T259-R265 PolarHBondContact O-NH2 2.81Å; N261-R265 PolarHBondContact O-N 3.45Å; P262-R265 PolarHBondContact O-N 3.19Å; P262-R265 VanDerWaalsContact O-N 3.16Å
266P96.8Very high95.2Very high19 Ų1961.5 Ų61.512%0.12331%0.305CS..PPolyproline II helixtrans-67.8157.7-179.932.3-39.9000111.5I201 V256 K270 L271I201-P266 HydrophobicContact CG2-CG 4.44Å; V256-P266 HydrophobicContact CG1-CG 3.65Å; P266-K270 HydrophobicContact CB-CB 3.99Å; P266-L271 HydrophobicContact CG-CB 4.29Å; P266-L271 HydrophobicContact CG-CD1 4.17Å
267T96.6Very high95.2Very high48 Ų4859.4 Ų59.429%0.29429%0.293SS..PPolyproline II helixtrans-75.2165.116756.90000110.5L198 E269 K270 L271L198-T267 HydrophobicContact CD2-CG2 4.1Å; T267-E269 VanDerWaalsContact C-N 3.28Å; T267-E269 PolarHBondContact O-N 2.96Å; T267-K270 PolarHBondContact O-N 3.34Å; T267-K270 WeakPolarHBondContact OG1-CG 3.48Å; T267-K270 PolarHBondContact OG1-N 2.88Å; T267-L271 WeakPolarHBondContact O-CB 3.27Å; T267-L271 PolarHBondContact O-N 3.42Å
268A96.1Very high95Very high2 Ų262.2 Ų62.22%0.01732%0.316CS..Hα-helixtrans-53.5-46.1174.300000111.9L125 L128 I201 K270 L271 L272L125-A268 HydrophobicContact CD2-CB 4.31Å; L128-A268 HydrophobicContact CB-CB 4.32Å; I201-A268 HydrophobicContact CD1-CB 3.88Å; A268-K270 PolarHBondContact O-N 3.29Å; A268-L271 PolarHBondContact O-N 3.45Å; A268-L271 VanDerWaalsContact O-N 3.16Å; A268-L272 WeakPolarHBondContact O-CG 3.38Å; A268-L272 PolarHBondContact O-N 2.92Å
269E95.5Very high94.8Very high145 Ų14565.2 Ų65.268%0.67833%0.33SS*.Hα-helixtrans-58.8-45.2178-174.5-178.8-159.600112.9T267 L271 L272T267-E269 VanDerWaalsContact C-N 3.28Å; T267-E269 PolarHBondContact O-N 2.96Å; E269-L271 VanDerWaalsContact C-N 3.32Å; E269-L271 PolarHBondContact O-N 3.3Å; E269-L272 PolarHBondContact O-N 3.17Å
270K96.6Very high94.3Very high141 Ų14170.5 Ų70.561%0.61336%0.362SS*.Hα-helixtrans-66.7-36.6176.6-73.7-179.3180-178.30111.9P266 T267 A268 L272 L273P266-K270 HydrophobicContact CB-CB 3.99Å; T267-K270 PolarHBondContact O-N 3.34Å; T267-K270 WeakPolarHBondContact OG1-CG 3.48Å; T267-K270 PolarHBondContact OG1-N 2.88Å; A268-K270 PolarHBondContact O-N 3.29Å; K270-L272 VanDerWaalsContact C-N 3.34Å; K270-L273 PolarHBondContact O-N 3.1Å
271L96.9Very high94.1Very high3 Ų370.1 Ų70.12%0.01638%0.377CS..Hα-helixtrans-74.5-26-178.6-167.559.2000112.2L125 I201 F253 S257 P266 T267 A268 E269 L273 H274 V277L125-L271 HydrophobicContact CD1-CB 4.24Å; L125-L271 HydrophobicContact CD1-CD2 3.97Å; L125-L271 HydrophobicContact CD1-CG 3.86Å; L125-L271 HydrophobicContact CD2-CB 4.4Å; L125-L271 HydrophobicContact CD2-CD2 3.84Å; L125-L271 HydrophobicContact CD2-CG 4.39Å; I201-L271 HydrophobicContact CG2-CD2 3.72Å; F253-L271 HydrophobicContact CD2-CD1 3.86Å; F253-L271 HydrophobicContact CD2-CG 4.31Å; F253-L271 HydrophobicContact CE2-CD1 3.74Å; F253-L271 HydrophobicContact CE2-CD2 3.95Å; F253-L271 HydrophobicContact CE2-CG 3.66Å; F253-L271 HydrophobicContact CZ-CD2 4.15Å; F253-L271 HydrophobicContact CZ-CG 4.35Å; S257-L271 WeakPolarHBondContact OG-CD2 3.41Å; P266-L271 HydrophobicContact CG-CB 4.29Å; P266-L271 HydrophobicContact CG-CD1 4.17Å; T267-L271 WeakPolarHBondContact O-CB 3.27Å; T267-L271 PolarHBondContact O-N 3.42Å; A268-L271 PolarHBondContact O-N 3.45Å; A268-L271 VanDerWaalsContact O-N 3.16Å; E269-L271 VanDerWaalsContact C-N 3.32Å; E269-L271 PolarHBondContact O-N 3.3Å; L271-L273 PolarHBondContact O-N 2.8Å; L271-H274 HydrophobicContact CD1-CB 4.14Å; L271-H274 WeakPolarHBondContact O-CB 3.47Å; L271-H274 PolarHBondContact O-N 3.49Å; L271-V277 VanDerWaalsContact O-CG2 3.26Å; L271-V277 WeakPolarHBondContact O-CG2 3.31Å
272L97Very high94.3Very high46 Ų4667 Ų6724%0.24136%0.36CS..Hα-helixtrans-63-22.2170.9-77.7168.6000113.5R122 L125 Q126 A268 E269 K270 H274R122-L272 HydrophobicContact CG-CD2 4.03Å; L125-L272 HydrophobicContact CB-CD2 3.59Å; L125-L272 HydrophobicContact CB-CG 3.87Å; L125-L272 HydrophobicContact CD1-CD2 4.45Å; Q126-L272 HydrophobicContact CG-CD1 4.2Å; Q126-L272 HydrophobicContact CG-CD2 3.93Å; A268-L272 WeakPolarHBondContact O-CG 3.38Å; A268-L272 PolarHBondContact O-N 2.92Å; E269-L272 PolarHBondContact O-N 3.17Å; K270-L272 VanDerWaalsContact C-N 3.34Å; L272-H274 VanDerWaalsContact C-N 3.28Å
273L97.1Very high94.6Very high141 Ų14168.5 Ų68.574%0.73837%0.369SS*.THydrogen-bonded Turntrans-82.9-5.3174.9-58.1175.5000113.1K270 L271K270-L273 PolarHBondContact O-N 3.1Å; L271-L273 PolarHBondContact O-N 2.8Å
274H98.1Very high94.9Very high28 Ų2865.8 Ų65.813%0.1335%0.354CS..SBendtrans-70.6136.1-177.1-173.2-81.3000111.1A249 N252 F253 L271 L272 F276 V277 A278A249-H274 PolarHBondContact O-CE1 3.08Å; N252-H274 PolarHBondContact OD1-NE2 3.07Å; F253-H274 HydrophobicContact CD2-CB 4.31Å; F253-H274 AromaticContact CD2-CG 3.99Å; F253-H274 AromaticContact CD2-ND1 3.72Å; F253-H274 PolarHBondContact N-CE1 3.21Å; L271-H274 HydrophobicContact CD1-CB 4.14Å; L271-H274 WeakPolarHBondContact O-CB 3.47Å; L271-H274 PolarHBondContact O-N 3.49Å; L272-H274 VanDerWaalsContact C-N 3.28Å; H274-F276 VanDerWaalsContact ND1-CB 3.3Å; H274-F276 WeakPolarHBondContact ND1-CB 3.45Å; H274-F276 PolarHBondContact ND1-N 3.06Å; H274-F276 VanDerWaalsContact ND1-N 3.18Å; H274-F276 PolarHBondContact O-N 2.93Å; H274-V277 HydrophobicContact CB-CG2 4.33Å; H274-V277 WeakPolarHBondContact O-CG2 3.29Å; H274-V277 PolarHBondContact O-N 3.42Å; H274-A278 WeakPolarHBondContact O-CB 3.45Å; H274-A278 PolarHBondContact O-N 3Å
275V96.8Very high94.9Very high97 Ų9767.1 Ų67.159%0.58835%0.354SS*.Hα-helixtrans-49.6-36.9-174.764.30000113.9A249 V277 Q279A249-V275 HydrophobicContact CB-CG1 3.82Å; V275-V277 VanDerWaalsContact C-N 3.34Å; V275-V277 PolarHBondContact O-N 3.38Å; V275-Q279 PolarHBondContact O-N 3.09Å
276F97.6Very high94.9Very high1 Ų168 Ų680%0.00436%0.359CS..Hα-helixtrans-57.1-39.9177-177.1-114.7000113.9E114 I117 A118 F250 F253 H274 Q279E114-F276 HydrophobicContact CG-CE2 3.63Å; E114-F276 HydrophobicContact CG-CZ 4.32Å; I117-F276 HydrophobicContact CB-CZ 4.48Å; I117-F276 HydrophobicContact CG2-CE1 4.43Å; I117-F276 HydrophobicContact CG2-CZ 4.19Å; A118-F276 HydrophobicContact CB-CD1 4.28Å; A118-F276 HydrophobicContact CB-CD2 4.31Å; A118-F276 HydrophobicContact CB-CE1 3.84Å; A118-F276 HydrophobicContact CB-CE2 3.86Å; A118-F276 HydrophobicContact CB-CG 4.49Å; A118-F276 HydrophobicContact CB-CZ 3.6Å; A118-F276 WeakPolarHBondContact CB-O 3.26Å; F250-F276 HydrophobicContact CB-CD2 3.8Å; F250-F276 HydrophobicContact CB-CE2 3.53Å; F250-F276 HydrophobicContact CB-CZ 4.23Å; F250-F276 HydrophobicContact CD1-CE2 4.39Å; F250-F276 HydrophobicContact CD1-CZ 4.48Å; F250-F276 HydrophobicContact CD2-CD1 4.22Å; F250-F276 HydrophobicContact CD2-CD2 4.06Å; F250-F276 AromaticContact CD2-CE1 3.62Å; F250-F276 HydrophobicContact CD2-CE1 3.62Å; F250-F276 AromaticContact CD2-CE2 3.43Å; F250-F276 HydrophobicContact CD2-CE2 3.43Å; F250-F276 VanDerWaalsContact CD2-CE2 3.43Å; F250-F276 HydrophobicContact CD2-CG 4.43Å; F250-F276 AromaticContact CD2-CZ 3.18Å; F250-F276 HydrophobicContact CD2-CZ 3.18Å; F250-F276 AromaticContact CE2-CE1 3.86Å; F250-F276 HydrophobicContact CE2-CE1 3.86Å; F250-F276 HydrophobicContact CE2-CE2 4.22Å; F250-F276 AromaticContact CE2-CZ 3.53Å; F250-F276 HydrophobicContact CE2-CZ 3.53Å; F250-F276 HydrophobicContact CG-CD2 4.22Å; F250-F276 AromaticContact CG-CE2 3.54Å; F250-F276 HydrophobicContact CG-CE2 3.54Å; F250-F276 AromaticContact CG-CZ 3.74Å; F250-F276 HydrophobicContact CG-CZ 3.74Å; F250-F276 HydrophobicContact CZ-CZ 4.35Å; F253-F276 HydrophobicContact CB-CB 3.82Å; F253-F276 HydrophobicContact CB-CD1 3.79Å; F253-F276 HydrophobicContact CB-CG 3.9Å; F253-F276 AromaticContact CD1-CD1 3.61Å; F253-F276 HydrophobicContact CD1-CD1 3.61Å; F253-F276 AromaticContact CD1-CE1 3.88Å; F253-F276 HydrophobicContact CD1-CE1 3.88Å; F253-F276 HydrophobicContact CD2-CB 4.11Å; F253-F276 AromaticContact CD2-CD1 3.74Å; F253-F276 HydrophobicContact CD2-CD1 3.74Å; F253-F276 HydrophobicContact CD2-CG 4.35Å; F253-F276 HydrophobicContact CE1-CD1 4.08Å; F253-F276 HydrophobicContact CE1-CE1 4.18Å; F253-F276 HydrophobicContact CE2-CD1 4.17Å; F253-F276 HydrophobicContact CG-CB 4.11Å; F253-F276 AromaticContact CG-CD1 3.42Å; F253-F276 HydrophobicContact CG-CD1 3.42Å; F253-F276 VanDerWaalsContact CG-CD1 3.42Å; F253-F276 HydrophobicContact CG-CE1 4.17Å; F253-F276 HydrophobicContact CG-CG 4.03Å; F253-F276 HydrophobicContact CZ-CD1 4.33Å; H274-F276 VanDerWaalsContact ND1-CB 3.3Å; H274-F276 WeakPolarHBondContact ND1-CB 3.45Å; H274-F276 PolarHBondContact ND1-N 3.06Å; H274-F276 VanDerWaalsContact ND1-N 3.18Å; H274-F276 PolarHBondContact O-N 2.93Å; F276-Q279 PolarHBondContact O-NE2 3.06Å
277V96.8Very high94.7Very high1 Ų167.2 Ų67.21%0.00636%0.355CS..Hα-helixtrans-105-16.6-177.7-64.10000113.1C121 R122 L125 F253 L271 H274 V275 L282C121-V277 HydrophobicContact CB-CG1 3.95Å; R122-V277 HydrophobicContact CB-CB 3.99Å; R122-V277 HydrophobicContact CB-CG1 4.33Å; R122-V277 WeakPolarHBondContact CD-O 3.4Å; R122-V277 HydrophobicContact CG-CB 4.34Å; L125-V277 HydrophobicContact CD1-CG1 4.49Å; F253-V277 HydrophobicContact CD2-CG1 4.36Å; F253-V277 HydrophobicContact CE2-CG1 3.75Å; F253-V277 HydrophobicContact CE2-CG2 4.45Å; F253-V277 HydrophobicContact CZ-CG1 4.14Å; L271-V277 VanDerWaalsContact O-CG2 3.26Å; L271-V277 WeakPolarHBondContact O-CG2 3.31Å; H274-V277 HydrophobicContact CB-CG2 4.33Å; H274-V277 WeakPolarHBondContact O-CG2 3.29Å; H274-V277 PolarHBondContact O-N 3.42Å; V275-V277 VanDerWaalsContact C-N 3.34Å; V275-V277 PolarHBondContact O-N 3.38Å; V277-L282 WeakPolarHBondContact O-CD1 3.5Å
278A94.6Very high94.6Very high60 Ų6067.1 Ų67.150%0.49635%0.354SS..Hα-helixtrans-87.4-4.7178.100000113.6H274H274-A278 WeakPolarHBondContact O-CB 3.45Å; H274-A278 PolarHBondContact O-N 3Å
279Q93.2Very high94.4Very high65 Ų6570.9 Ų70.930%0.30437%0.374SS..  trans-63.4146.7-178.963.6-177.9-43.500113.2V275 F276 L282V275-Q279 PolarHBondContact O-N 3.09Å; F276-Q279 PolarHBondContact O-NE2 3.06Å; Q279-L282 HydrophobicContact CG-CD1 3.77Å; Q279-L282 HydrophobicContact CG-CD2 4.07Å; Q279-L282 HydrophobicContact CG-CG 3.72Å
280T84Confident94.2Very high144 Ų14464.2 Ų64.288%0.88334%0.343SS*.THydrogen-bonded Turntrans-74131.7175.954.10000110.2
281G86.9Confident93.8Very high58 Ų5858 Ų5860%0.59832%0.316SS*.THydrogen-bonded Turntrans115.1-8.1178.300000115.1T283G281-T283 PolarHBondContact O-N 2.81Å
282L93.5Very high93.4Very high6 Ų661.7 Ų61.73%0.03134%0.336CS..  trans-7397.9171.6-58.8-177.8000109.9L115 A118 Y119 R122 V277 Q279 L286L115-L282 HydrophobicContact CD2-CD2 4.21Å; L115-L282 WeakPolarHBondContact O-CD2 3.23Å; A118-L282 HydrophobicContact CB-CD1 3.91Å; A118-L282 HydrophobicContact CB-CD2 3.71Å; A118-L282 HydrophobicContact CB-CG 4.47Å; Y119-L282 HydrophobicContact CD2-CB 4.43Å; R122-L282 VanDerWaalsContact CZ-O 3.29Å; R122-L282 VanDerWaalsContact NH1-CB 3.28Å; R122-L282 PolarHBondContact NH1-O 3.34Å; R122-L282 PolarHBondContact NH2-O 3.33Å; V277-L282 WeakPolarHBondContact O-CD1 3.5Å; Q279-L282 HydrophobicContact CG-CD1 3.77Å; Q279-L282 HydrophobicContact CG-CD2 4.07Å; Q279-L282 HydrophobicContact CG-CG 3.72Å; L282-L286 HydrophobicContact CD2-CD1 4Å
283T94.5Very high92.8Very high65 Ų6563.3 Ų63.340%0.39934%0.341SS..  trans-129.7161.4-179.969.20000110.3G281 R285 L286G281-T283 PolarHBondContact O-N 2.81Å; T283-R285 PolarHBondContact O-N 2.87Å; T283-L286 PolarHBondContact O-N 3.06Å
284R93.5Very high92.1Very high140 Ų14059 Ų5953%0.52832%0.318SS..THydrogen-bonded Turntrans-54.7-19.8177.372.1-177.6-175.3178.82.5114.6Y119 N151 L286 A287 V288Y119-R284 WeakPolarHBondContact OH-CA 3.22Å; Y119-R284 WeakPolarHBondContact OH-CB 3.05Å; N151-R284 WeakPolarHBondContact O-CD 3.33Å; R284-L286 PolarHBondContact O-N 3.11Å; R284-A287 WeakPolarHBondContact O-CB 3.19Å; R284-A287 PolarHBondContact O-N 2.85Å; R284-V288 PolarHBondContact O-N 3.48Å
285R94.4Very high91.2Very high192 Ų19263 Ų6373%0.72534%0.34SS*.Hα-helixtrans-53.6-39174-66.4-177.5179.5168.9-0.2112.1T283 A287 V288 D289T283-R285 PolarHBondContact O-N 2.87Å; R285-A287 VanDerWaalsContact C-N 3.25Å; R285-A287 PolarHBondContact O-N 3.34Å; R285-V288 PolarHBondContact O-N 3.42Å; R285-V288 VanDerWaalsContact O-N 3.13Å; R285-D289 PolarHBondContact O-N 3.33Å
286L95.5Very high90.4Very high25 Ų2562.4 Ų62.413%0.13133%0.334CS..Hα-helixtrans-60.7-35.3178.4-67.6166.6000112.8L115 Q116 L282 T283 R284 L290L115-L286 HydrophobicContact CB-CD1 4.07Å; L115-L286 HydrophobicContact CB-CD2 4.02Å; Q116-L286 HydrophobicContact CG-CB 4.01Å; Q116-L286 WeakPolarHBondContact CG-O 3.43Å; Q116-L286 PolarHBondContact NE2-O 3.48Å; L282-L286 HydrophobicContact CD2-CD1 4Å; T283-L286 PolarHBondContact O-N 3.06Å; R284-L286 PolarHBondContact O-N 3.11Å; L286-L290 PolarHBondContact O-N 3.49Å
287A93.5Very high88.8Confident4 Ų465.8 Ų65.83%0.03336%0.356CS..Hα-helixtrans-78.1-37.9175.800000111.7Y119 L148 G152 R284 R285 D289 L290 L291Y119-A287 HydrophobicContact CD1-CB 4.12Å; Y119-A287 HydrophobicContact CE1-CB 3.66Å; L148-A287 HydrophobicContact CD1-CB 4.09Å; L148-A287 HydrophobicContact CD2-CB 4.33Å; G152-A287 WeakPolarHBondContact O-CB 3.28Å; R284-A287 WeakPolarHBondContact O-CB 3.19Å; R284-A287 PolarHBondContact O-N 2.85Å; R285-A287 VanDerWaalsContact C-N 3.25Å; R285-A287 PolarHBondContact O-N 3.34Å; A287-D289 VanDerWaalsContact C-N 3.35Å; A287-L290 VanDerWaalsContact O-CB 3.31Å; A287-L290 WeakPolarHBondContact O-CB 3.31Å; A287-L290 PolarHBondContact O-N 2.88Å; A287-L290 VanDerWaalsContact O-N 3.1Å; A287-L291 WeakPolarHBondContact O-CG 3.4Å; A287-L291 PolarHBondContact O-N 2.83Å
288V94.1Very high86.8Confident45 Ų4572.6 Ų72.627%0.27339%0.392SS..Hα-helixtrans-60-45172.3176.20000110.9R284 R285 L290 L291 D292R284-V288 PolarHBondContact O-N 3.48Å; R285-V288 PolarHBondContact O-N 3.42Å; R285-V288 VanDerWaalsContact O-N 3.13Å; V288-L290 PolarHBondContact O-N 3.48Å; V288-L290 VanDerWaalsContact O-N 3.14Å; V288-L291 WeakPolarHBondContact O-CB 3.43Å; V288-L291 PolarHBondContact O-N 2.84Å; V288-D292 PolarHBondContact O-N 2.85Å
289D92.1Very high84.7Confident81 Ų8176 Ų7643%0.43340%0.402SS..Hα-helixtrans-58.5-30.5175.5-61.4-19.7000112.1R285 A287 K293R285-D289 PolarHBondContact O-N 3.33Å; A287-D289 VanDerWaalsContact C-N 3.35Å; D289-K293 WeakPolarHBondContact O-CG 3.48Å; D289-K293 PolarHBondContact O-N 3.27Å
290L90.6Very high82.6Confident5 Ų579 Ų793%0.02642%0.416CS..Hα-helixtrans-75.1-40.3176.1-166.569000111.6L102 I105 T109 L112 L286 A287 V288 D292 K293 M294L102-L290 HydrophobicContact CD2-CD2 4.42Å; I105-L290 HydrophobicContact CG2-CD1 4.24Å; I105-L290 HydrophobicContact CG2-CD2 3.47Å; I105-L290 VanDerWaalsContact CG2-CD2 3.47Å; I105-L290 HydrophobicContact CG2-CG 3.46Å; I105-L290 VanDerWaalsContact CG2-CG 3.46Å; T109-L290 HydrophobicContact CG2-CD1 4.34Å; L112-L290 HydrophobicContact CD1-CD1 4.23Å; L112-L290 HydrophobicContact CD1-CD2 4.08Å; L112-L290 HydrophobicContact CD2-CD2 3.79Å; L112-L290 HydrophobicContact CG-CD1 4.06Å; L112-L290 HydrophobicContact CG-CD2 3.82Å; L286-L290 PolarHBondContact O-N 3.49Å; A287-L290 VanDerWaalsContact O-CB 3.31Å; A287-L290 WeakPolarHBondContact O-CB 3.31Å; A287-L290 PolarHBondContact O-N 2.88Å; A287-L290 VanDerWaalsContact O-N 3.1Å; V288-L290 PolarHBondContact O-N 3.48Å; V288-L290 VanDerWaalsContact O-N 3.14Å; L290-D292 VanDerWaalsContact C-N 3.35Å; L290-K293 WeakPolarHBondContact O-CB 3.41Å; L290-K293 PolarHBondContact O-N 3.16Å; L290-M294 PolarHBondContact O-N 2.86Å
291L89.4Confident80.6Confident11 Ų1179.2 Ų79.26%0.05841%0.407CS..Hα-helixtrans-65.5-39.1174.3-65.9173.4000111.3I105 L148 T149 A287 V288 K293 M294 N295I105-L291 HydrophobicContact CD1-CD2 4.15Å; I105-L291 HydrophobicContact CG1-CD2 4.48Å; L148-L291 HydrophobicContact CB-CD2 4.43Å; L148-L291 HydrophobicContact CD1-CD2 4.2Å; L148-L291 HydrophobicContact CD1-CG 4.32Å; T149-L291 WeakPolarHBondContact O-CD1 3.48Å; A287-L291 WeakPolarHBondContact O-CG 3.4Å; A287-L291 PolarHBondContact O-N 2.83Å; V288-L291 WeakPolarHBondContact O-CB 3.43Å; V288-L291 PolarHBondContact O-N 2.84Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.11Å; L291-M294 WeakPolarHBondContact O-CB 3.5Å; L291-M294 PolarHBondContact O-N 2.84Å; L291-M294 VanDerWaalsContact O-N 3.13Å; L291-N295 WeakPolarHBondContact O-CB 3.36Å; L291-N295 VanDerWaalsContact O-CG 3.3Å; L291-N295 PolarHBondContact O-N 2.9Å; L291-N295 PolarHBondContact O-ND2 3.3Å; L291-N295 VanDerWaalsContact O-ND2 3.14Å
292D88.4Confident78.3Confident80 Ų8084.1 Ų84.143%0.42842%0.419SS..Hα-helixtrans-62.6-39.8175.9-73.5-19000111.7V288 L290 N295 N296V288-D292 PolarHBondContact O-N 2.85Å; L290-D292 VanDerWaalsContact C-N 3.35Å; D292-N295 PolarHBondContact O-N 3.07Å; D292-N296 WeakPolarHBondContact O-CB 3.3Å; D292-N296 PolarHBondContact O-N 3.02Å; D292-N296 PolarHBondContact O-ND2 2.88Å; D292-N296 VanDerWaalsContact O-ND2 3.1Å
293K85.1Confident75.4Confident80 Ų8095 Ų9535%0.34846%0.461SS..Hα-helixtrans-62.5-42171.3-78.4179.3-174.2-174.50112.6T109 D289 L290 L291 N295 N296T109-K293 HydrophobicContact CG2-CB 3.7Å; D289-K293 WeakPolarHBondContact O-CG 3.48Å; D289-K293 PolarHBondContact O-N 3.27Å; L290-K293 WeakPolarHBondContact O-CB 3.41Å; L290-K293 PolarHBondContact O-N 3.16Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.11Å; K293-N295 VanDerWaalsContact C-N 3.33Å; K293-N296 CarbonylContact O-C 3.44Å; K293-N296 PolarHBondContact O-N 3.47Å
294M81.6Confident72.3Confident50 Ų5096.7 Ų96.725%0.24648%0.476CS..Hα-helixtrans-64.8-39.5178.4-178.4-176178.400111.4I105 V108 T109 L290 L291I105-M294 HydrophobicContact CB-SD 4.24Å; I105-M294 HydrophobicContact CG1-SD 3.6Å; I105-M294 VanDerWaalsContact CG1-SD 3.6Å; I105-M294 HydrophobicContact CG2-SD 4.42Å; V108-M294 HydrophobicContact CB-CG 4.24Å; V108-M294 HydrophobicContact CG1-CG 4.35Å; V108-M294 HydrophobicContact CG2-CG 4.47Å; T109-M294 HydrophobicContact CG2-CB 3.83Å; L290-M294 PolarHBondContact O-N 2.86Å; L291-M294 WeakPolarHBondContact O-CB 3.5Å; L291-M294 PolarHBondContact O-N 2.84Å; L291-M294 VanDerWaalsContact O-N 3.13Å
295N78.9Confident69.3Low112 Ų11299.8 Ų99.860%0.59950%0.497SS*.Hα-helixtrans-78.1-21.8-179.7-68.3-34.3000113.1L291 D292 K293L291-N295 WeakPolarHBondContact O-CB 3.36Å; L291-N295 VanDerWaalsContact O-CG 3.3Å; L291-N295 PolarHBondContact O-N 2.9Å; L291-N295 PolarHBondContact O-ND2 3.3Å; L291-N295 VanDerWaalsContact O-ND2 3.14Å; D292-N295 PolarHBondContact O-N 3.07Å; K293-N295 VanDerWaalsContact C-N 3.33Å
296N79.8Confident66.3Low86 Ų8695.3 Ų95.346%0.4649%0.49SS..  trans-129.465.6-179.2-57.5-71000112.4D292 K293 D298 N299D292-N296 WeakPolarHBondContact O-CB 3.3Å; D292-N296 PolarHBondContact O-N 3.02Å; D292-N296 PolarHBondContact O-ND2 2.88Å; D292-N296 VanDerWaalsContact O-ND2 3.1Å; K293-N296 CarbonylContact O-C 3.44Å; K293-N296 PolarHBondContact O-N 3.47Å; N296-D298 VanDerWaalsContact C-N 3.26Å; N296-D298 PolarHBondContact O-N 3.25Å; N296-N299 PolarHBondContact O-N 2.82Å
297P64.6Low63Low72 Ų72101.7 Ų101.747%0.46853%0.525SS..G310 helixtrans-64.2-26.3-173.624.4-33.4000114.1V108V108-P297 HydrophobicContact CG1-CB 4.34Å
298D54Low60.1Low144 Ų144107.9 Ų107.977%0.7756%0.557SS**G310 helixtrans-78-20.5-175.1-64.1-40.4000114.2N296N296-D298 VanDerWaalsContact C-N 3.26Å; N296-D298 PolarHBondContact O-N 3.25Å
299N50.3Low57.3Low131 Ų131112.8 Ų112.870%0.70158%0.582SS**G310 helixtrans-86.2-7.6-171.7-93.7-10.8000114.6N296N296-N299 PolarHBondContact O-N 2.82Å
300H49.1Very low54.7Low128 Ų128114.8 Ų114.859%0.59359%0.593SS**  trans-130.148.8-169.2-74.87.1000113.7N302H300-N302 PolarHBondContact O-N 2.69Å
301Q42.1Very low52Low149 Ų149121.2 Ų121.270%0.69663%0.626SS**  trans-80.788.6162.1-73.6-179.12.500109.9
302N38.3Very low49.2Very low161 Ų161128.9 Ų128.986%0.86166%0.662SS**  trans-86.9118.6164.3-92.9-9.2000109.8H300H300-N302 PolarHBondContact O-N 2.69Å
303Y34.1Very low46.6Very low233 Ų233129.4 Ų129.491%0.91467%0.669SS**  trans-46.7131.6169.8-90.3-108.6000111.8
304S28Very low44.2Very low101 Ų101130.1 Ų130.171%0.70668%0.68SS**  trans-130.9127156.357.20000108.3
305E31.5Very low42Very low206 Ų206132.8 Ų132.896%0.96370%0.704SS**  trans-43.6129.7-176.7-69.2170.914900112.7
306V30.6Very low40.1Very low97 Ų97130.9 Ų130.959%0.58870%0.696SS**  trans-98.4125174.7-130.60000107.4D308 I634V306-D308 PolarHBondContact O-N 3.36Å; V306-I634 HydrophobicContact CG1-CD1 3.44Å; V306-I634 VanDerWaalsContact CG1-CD1 3.44Å
307D27.4Very low38.5Very low160 Ų160129.7 Ų129.786%0.85670%0.704SS**  trans-56.7126.3161.5-90-32.6000108.7D309D307-D309 PolarHBondContact O-N 2.86Å
308D32.6Very low38.3Very low133 Ų133131.5 Ų131.571%0.71170%0.702SS**SBendtrans-79.686.8-174.6-161.416.2000109.4V306V306-D308 PolarHBondContact O-N 3.36Å
309D34.5Very low39.1Very low149 Ų149129.4 Ų129.480%0.79769%0.687SS**  trans-167.352.9169.9-107.2-16.9000113.9D307D307-D309 PolarHBondContact O-N 2.86Å
310D38.8Very low40.7Very low123 Ų123126.6 Ų126.666%0.65868%0.675SS**  trans-166.136.7153.5-120-14.1000113.5E312 R600D310-E312 PolarHBondContact O-N 2.88Å; D310-R600 VanDerWaalsContact CG-NH2 3.26Å; D310-R600 IonicContact OD1-CZ 2.72Å; D310-R600 IonicContact OD1-NE 3.49Å; D310-R600 IonicContact OD1-NH2 3.64Å; D310-R600 PolarHBondContact OD1-NH2 3.38Å; D310-R600 IonicContact OD2-NH2 3.34Å; D310-R600 PolarHBondContact OD2-NH2 2.84Å
311L33.7Very low42.4Very low139 Ų139121.2 Ų121.273%0.72865%0.65SS**  trans-86.390.7173.8-82.2165.5000111.1
312E30.3Very low44.3Very low173 Ų173123.2 Ų123.281%0.80865%0.651SS**  trans-114.395.4149-90.4-98.1159.400107.5D310 V314D310-E312 PolarHBondContact O-N 2.88Å; E312-V314 PolarHBondContact O-N 2.84Å
313P34.4Very low46.3Very low90 Ų90116.4 Ų116.458%0.58462%0.616SS**  trans-81.895.2176.231.7-28.8000108.8S315P313-S315 PolarHBondContact O-N 2.93Å; P313-S315 VanDerWaalsContact O-N 3.08Å
314V33.9Very low48.2Very low95 Ų95109.5 Ų109.558%0.57659%0.594SS**  trans-77.796.4161.3-161.10000107.9E312 V316 R629E312-V314 PolarHBondContact O-N 2.84Å; V314-V316 HydrophobicContact CB-CG2 4.38Å; V314-V316 HydrophobicContact CG1-CG2 3.38Å; V314-V316 PolarHBondContact O-N 2.95Å; V314-V316 VanDerWaalsContact O-N 3.12Å; V314-R629 PolarHBondContact O-NH2 2.81Å
315S35.1Very low49.4Very low106 Ų106110.3 Ų110.374%0.74159%0.59SS**  trans-72.18916648.80000109.5P313P313-S315 PolarHBondContact O-N 2.93Å; P313-S315 VanDerWaalsContact O-N 3.08Å
316V39.7Very low49.9Very low73 Ų73108.7 Ų108.744%0.44258%0.58SS.*  trans-111.6122.1165.4-158.30000108.2V314V314-V316 HydrophobicContact CB-CG2 4.38Å; V314-V316 HydrophobicContact CG1-CG2 3.38Å; V314-V316 PolarHBondContact O-N 2.95Å; V314-V316 VanDerWaalsContact O-N 3.12Å
317G45.5Very low50.2Low61 Ų61111.7 Ų111.763%0.62959%0.587SS**  trans-55.9145.7164.400000109.6H319G317-H319 PolarHBondContact O-N 3Å; G317-H319 VanDerWaalsContact O-N 3.16Å
318R60.7Low50.7Low110 Ų110110.2 Ų110.242%0.41559%0.587SS.*  trans-50.3123.1-179.4-67.2176.8177.8-170.7-8.9109.9T320 Q615 L616 A623R318-T320 PolarHBondContact O-N 3.46Å; R318-Q615 PolarHBondContact NH2-O 3.26Å; R318-L616 PolarHBondContact NH1-O 3.08Å; R318-A623 VanDerWaalsContact NH2-CA 3.34Å; R318-A623 VanDerWaalsContact NH2-CB 3.32Å; R318-A623 PolarHBondContact NH2-O 2.84Å
319H71.3Confident50.9Low99 Ų99113.2 Ų113.246%0.45859%0.593SS.*  trans-90.1107.1-175.1-144.6-88.4000109.7G317 Q577G317-H319 PolarHBondContact O-N 3Å; G317-H319 VanDerWaalsContact O-N 3.16Å; H319-Q577 PolarHBondContact O-N 3.27Å
320T82.4Confident51.1Low72 Ų72111.9 Ų111.944%0.44259%0.591SS.*EExtended strand (participates in β ladder)trans-100.4125.3170.3-55.70000108.6R318 T574 M575R318-T320 PolarHBondContact O-N 3.46Å; T320-T574 HydrophobicContact CG2-CG2 4.27Å; T320-M575 WeakPolarHBondContact CA-O 3.35Å
321I85.2Confident51.4Low15 Ų15115 Ų1158%0.07760%0.601CS.*EExtended strand (participates in β ladder)trans-107.4128.3178.8-61.1166.1000107.8F531 P535 L536 Y563 T574 M575I321-F531 HydrophobicContact CG2-CZ 4.08Å; I321-P535 HydrophobicContact CD1-CG 4.01Å; I321-P535 HydrophobicContact CG1-CG 4.48Å; I321-P535 HydrophobicContact CG2-CG 3.77Å; I321-L536 HydrophobicContact CD1-CD1 3.82Å; I321-L536 HydrophobicContact CD1-CD2 3.47Å; I321-L536 VanDerWaalsContact CD1-CD2 3.47Å; I321-L536 HydrophobicContact CD1-CG 3.59Å; I321-Y563 HydrophobicContact CD1-CD1 4.43Å; I321-Y563 HydrophobicContact CD1-CE1 3.92Å; I321-T574 CarbonylContact O-C 3.58Å; I321-T574 VanDerWaalsContact O-CA 3.27Å; I321-T574 WeakPolarHBondContact O-CA 3.37Å; I321-M575 HydrophobicContact CB-CB 4.32Å; I321-M575 PolarHBondContact N-O 3.46Å; I321-M575 PolarHBondContact O-N 2.66Å
322R83.4Confident52.3Low192 Ų192115.9 Ų115.973%0.72560%0.595SS**EExtended strand (participates in β ladder)trans-102.1139.2176.2-57.6-167.3173.9173.9-3.1109.7T574R322-T574 HydrophobicContact CG-CG2 3.84Å
323S79.3Confident53.6Low17 Ų17109.4 Ų109.412%0.11957%0.567CS.*  trans-62.7143.5172.8-173.40000110.5N325 D532 A573S323-N325 PolarHBondContact O-N 3.08Å; S323-D532 WeakPolarHBondContact CA-O 3.22Å; S323-D532 WeakPolarHBondContact OG-CA 3.42Å; S323-D532 WeakPolarHBondContact OG-CB 3.39Å; S323-D532 PolarHBondContact OG-N 3.35Å; S323-D532 PolarHBondContact OG-O 2.97Å; S323-A573 WeakPolarHBondContact CB-O 3.36Å; S323-A573 PolarHBondContact N-O 3.43Å
324I74.4Confident54.8Low88 Ų88114.1 Ų114.145%0.45157%0.573SS.*  trans-80.871.1-178.1-52.6176.9000108.7K326 D532 L861I324-K326 PolarHBondContact O-N 3.03Å; I324-D532 PolarHBondContact N-O 3.34Å; I324-D532 VanDerWaalsContact N-O 3.13Å; I324-L861 HydrophobicContact CD1-CD1 3.24Å
325N54Low55.6Low118 Ų118109.6 Ų109.663%0.63155%0.546SS*.  trans-72.4108.8172.5-88.2-27000110S323S323-N325 PolarHBondContact O-N 3.08Å
326K40.9Very low57.1Low173 Ų173106.1 Ų106.175%0.75252%0.518SS*.  trans-139.9115159.5-80.8-165.7177.4178.60113.7I324I324-K326 PolarHBondContact O-N 3.03Å
327H36.2Very low58.1Low159 Ų159105.7 Ų105.774%0.73651%0.512SS*.  trans69.6128.9156.8-70.7-71.4000120.1K329H327-K329 PolarHBondContact O-N 3.32Å
328P39.1Very low58.7Low129 Ų129104.8 Ų104.884%0.83849%0.493SS*.SBendtrans-77.825.1-177.334.5-36.8000114.5
329K35.5Very low58.8Low196 Ų19699.7 Ų99.785%0.85247%0.474SS*.  trans-142.246-174-75.1-169.9175.5-178.40113.7H327H327-K329 PolarHBondContact O-N 3.32Å
330V40.2Very low58Low122 Ų12298.3 Ų98.374%0.73947%0.47SS*.SBendtrans-115.6133.6160.9-176.80000107R332V330-R332 PolarHBondContact O-N 2.79Å
331E44.3Very low56.2Low188 Ų188101.3 Ų101.388%0.87948%0.477SS*.PPolyproline II helixtrans-50.6119.4-177.8-73.1177.7148.300110.8
332R52.7Low54.6Low158 Ų158101.5 Ų101.560%0.59648%0.479SS*.PPolyproline II helixtrans-57.9138.6174.2-72.2179.1167.5-161.8-9.7109.5V330 E336 I337 D340V330-R332 PolarHBondContact O-N 2.79Å; R332-E336 WeakPolarHBondContact CA-OE2 3.43Å; R332-E336 HydrophobicContact CB-CB 4.26Å; R332-I337 HydrophobicContact CB-CD1 4.2Å; R332-I337 HydrophobicContact CB-CG1 3.85Å; R332-D340 IonicContact CZ-OD2 3.7Å; R332-D340 IonicContact NH1-OD2 3.85Å; R332-D340 PolarHBondContact NH1-OD2 3.48Å
333T58.5Low52.7Low37 Ų3797.8 Ų97.823%0.22747%0.469CS..PPolyproline II helixtrans-67.5157.1176.860.50000111.1S335 E336 I337 R837T333-S335 PolarHBondContact O-N 2.76Å; T333-S335 PolarHBondContact OG1-OG 3.13Å; T333-E336 PolarHBondContact N-OE2 2.83Å; T333-E336 VanDerWaalsContact N-OE2 3.15Å; T333-E336 WeakPolarHBondContact O-CA 3.23Å; T333-E336 WeakPolarHBondContact O-CB 3.22Å; T333-E336 PolarHBondContact O-N 3.25Å; T333-E336 VanDerWaalsContact OG1-CG 3.29Å; T333-E336 WeakPolarHBondContact OG1-CG 3.29Å; T333-E336 PolarHBondContact OG1-N 3.43Å; T333-I337 WeakPolarHBondContact O-CG1 3.24Å; T333-I337 PolarHBondContact O-N 3.23Å; T333-R837 VanDerWaalsContact CG2-NH2 3.26Å; T333-R837 PolarHBondContact OG1-NH2 2.88Å
334R58Low51.1Low189 Ų18998.2 Ų98.271%0.71347%0.469SS*.Hα-helixtrans-55.7-40.8178.8-169.8173.1179.1169.5-0.6111.7I337 D338R334-I337 PolarHBondContact O-N 2.9Å; R334-D338 WeakPolarHBondContact O-CB 3.28Å; R334-D338 VanDerWaalsContact O-CG 3.3Å; R334-D338 PolarHBondContact O-N 2.93Å
335S52Low49.1Very low0 Ų0103.3 Ų103.30%049%0.491CS..Hα-helixtrans-57.3-45.4169.140.10000114.1T333 I337 D338 F339 D834T333-S335 PolarHBondContact O-N 2.76Å; T333-S335 PolarHBondContact OG1-OG 3.13Å; S335-I337 PolarHBondContact O-N 2.86Å; S335-D338 PolarHBondContact O-N 2.9Å; S335-F339 VanDerWaalsContact O-CB 3.25Å; S335-F339 WeakPolarHBondContact O-CB 3.43Å; S335-F339 WeakPolarHBondContact O-CD2 3.29Å; S335-F339 WeakPolarHBondContact O-CG 3.42Å; S335-F339 PolarHBondContact O-N 3.25Å; S335-D834 WeakPolarHBondContact CB-OD2 3.37Å; S335-D834 PolarHBondContact N-OD2 3.48Å; S335-D834 PolarHBondContact OG-OD2 3.29Å
336E65.2Low48.1Very low32 Ų32100.3 Ų100.315%0.1548%0.483CS..Hα-helixtrans-64.3-31.7178.3-72.6166.3-178.400111.9R332 T333 K529 R837R332-E336 WeakPolarHBondContact CA-OE2 3.43Å; R332-E336 HydrophobicContact CB-CB 4.26Å; T333-E336 PolarHBondContact N-OE2 2.83Å; T333-E336 VanDerWaalsContact N-OE2 3.15Å; T333-E336 WeakPolarHBondContact O-CA 3.23Å; T333-E336 WeakPolarHBondContact O-CB 3.22Å; T333-E336 PolarHBondContact O-N 3.25Å; T333-E336 VanDerWaalsContact OG1-CG 3.29Å; T333-E336 WeakPolarHBondContact OG1-CG 3.29Å; T333-E336 PolarHBondContact OG1-N 3.43Å; E336-K529 WeakPolarHBondContact OE1-CE 3.37Å; E336-K529 IonicContact OE1-NZ 3.15Å; E336-K529 PolarHBondContact OE1-NZ 3.24Å; E336-R837 IonicContact OE1-CZ 3.37Å; E336-R837 IonicContact OE1-NH1 2.69Å; E336-R837 IonicContact OE1-NH2 3.66Å; E336-R837 PolarHBondContact OE1-NH2 3.36Å
337I62.2Low47.5Very low65 Ų6596.7 Ų96.733%0.33348%0.477SS..Hα-helixtrans-76.2-39.6174.9-62.6167.3000111.3R332 T333 R334 S335 K341R332-I337 HydrophobicContact CB-CD1 4.2Å; R332-I337 HydrophobicContact CB-CG1 3.85Å; T333-I337 WeakPolarHBondContact O-CG1 3.24Å; T333-I337 PolarHBondContact O-N 3.23Å; R334-I337 PolarHBondContact O-N 2.9Å; S335-I337 PolarHBondContact O-N 2.86Å; I337-K341 HydrophobicContact CG2-CD 4.21Å; I337-K341 VanDerWaalsContact CG2-CE 3.47Å; I337-K341 WeakPolarHBondContact O-CD 3.49Å; I337-K341 VanDerWaalsContact O-CG 3.26Å; I337-K341 WeakPolarHBondContact O-CG 3.45Å; I337-K341 PolarHBondContact O-N 3.28Å
338D58.3Low47.1Very low41 Ų4197.2 Ų97.222%0.21948%0.484CS..Hα-helixtrans-76-34.2-179.3-70.8-18.8000111.7R334 S335 D340 K341 V342R334-D338 WeakPolarHBondContact O-CB 3.28Å; R334-D338 VanDerWaalsContact O-CG 3.3Å; R334-D338 PolarHBondContact O-N 2.93Å; S335-D338 PolarHBondContact O-N 2.9Å; D338-D340 VanDerWaalsContact C-N 3.31Å; D338-D340 PolarHBondContact O-N 2.94Å; D338-K341 PolarHBondContact O-N 3.11Å; D338-V342 VanDerWaalsContact O-CG2 3.24Å; D338-V342 WeakPolarHBondContact O-CG2 2.82Å; D338-V342 PolarHBondContact O-N 3.17Å
339F61.9Low46.5Very low3 Ų398.8 Ų98.81%0.01349%0.485CS..Hα-helixtrans-60.8-38.6171.9-76.7-51.2000112.1S335 K341 C526 F527 I832 F839 Y865S335-F339 VanDerWaalsContact O-CB 3.25Å; S335-F339 WeakPolarHBondContact O-CB 3.43Å; S335-F339 WeakPolarHBondContact O-CD2 3.29Å; S335-F339 WeakPolarHBondContact O-CG 3.42Å; S335-F339 PolarHBondContact O-N 3.25Å; F339-K341 PolarHBondContact O-N 3.08Å; F339-C526 WeakPolarHBondContact O-CB 3.45Å; F339-F527 HydrophobicContact CB-CB 4.23Å; F339-F527 HydrophobicContact CD1-CB 3.34Å; F339-F527 AromaticContact CD1-CD2 3.69Å; F339-F527 HydrophobicContact CD1-CD2 3.69Å; F339-F527 AromaticContact CD1-CG 3.86Å; F339-F527 HydrophobicContact CD1-CG 3.86Å; F339-F527 HydrophobicContact CE1-CB 3.62Å; F339-F527 AromaticContact CE1-CD2 3.51Å; F339-F527 HydrophobicContact CE1-CD2 3.51Å; F339-F527 HydrophobicContact CE1-CE2 4.38Å; F339-F527 AromaticContact CE1-CG 3.73Å; F339-F527 HydrophobicContact CE1-CG 3.73Å; F339-F527 HydrophobicContact CG-CB 3.86Å; F339-F527 HydrophobicContact CZ-CB 4.44Å; F339-I832 HydrophobicContact CD1-CD1 3.45Å; F339-I832 VanDerWaalsContact CD1-CD1 3.45Å; F339-I832 HydrophobicContact CD1-CG1 4.21Å; F339-I832 HydrophobicContact CD1-CG2 4.39Å; F339-I832 HydrophobicContact CE1-CD1 3.46Å; F339-I832 VanDerWaalsContact CE1-CD1 3.46Å; F339-I832 HydrophobicContact CE1-CG1 4.32Å; F339-I832 HydrophobicContact CE1-CG2 4.05Å; F339-I832 HydrophobicContact CZ-CG2 4.22Å; F339-F839 AromaticContact CE2-CE1 3.63Å; F339-F839 HydrophobicContact CE2-CE1 3.63Å; F339-F839 AromaticContact CE2-CZ 3.98Å; F339-F839 HydrophobicContact CE2-CZ 3.98Å; F339-F839 HydrophobicContact CZ-CD1 4.18Å; F339-F839 AromaticContact CZ-CE1 3.54Å; F339-F839 HydrophobicContact CZ-CE1 3.54Å; F339-F839 HydrophobicContact CZ-CZ 4.02Å; F339-Y865 HydrophobicContact CD2-CD1 4.25Å; F339-Y865 HydrophobicContact CD2-CE1 4.04Å; F339-Y865 HydrophobicContact CE2-CD1 4.26Å; F339-Y865 HydrophobicContact CE2-CE1 4.09Å
340D53.5Low46.2Very low71 Ų7195.1 Ų95.138%0.3848%0.481SS..THydrogen-bonded Turntrans-70.1-20174.5-76.2-9.7000112.7R332 D338R332-D340 IonicContact CZ-OD2 3.7Å; R332-D340 IonicContact NH1-OD2 3.85Å; R332-D340 PolarHBondContact NH1-OD2 3.48Å; D338-D340 VanDerWaalsContact C-N 3.31Å; D338-D340 PolarHBondContact O-N 2.94Å
341K46.6Very low45.5Very low135 Ų13598.4 Ų98.459%0.58749%0.485SS*.THydrogen-bonded Turntrans-97.8-20.8-176.8-73.6172.5-176173.50114.4I337 D338 F339 Q343I337-K341 HydrophobicContact CG2-CD 4.21Å; I337-K341 VanDerWaalsContact CG2-CE 3.47Å; I337-K341 WeakPolarHBondContact O-CD 3.49Å; I337-K341 VanDerWaalsContact O-CG 3.26Å; I337-K341 WeakPolarHBondContact O-CG 3.45Å; I337-K341 PolarHBondContact O-N 3.28Å; D338-K341 PolarHBondContact O-N 3.11Å; F339-K341 PolarHBondContact O-N 3.08Å; K341-Q343 PolarHBondContact O-N 3.09Å; K341-Q343 VanDerWaalsContact O-N 3.1Å
342V50.1Low44.6Very low19 Ų1999.1 Ų99.112%0.11549%0.489CS..  trans-69.2107.9173.7176.50000106.6D338 F344 C526 Q830 I832D338-V342 VanDerWaalsContact O-CG2 3.24Å; D338-V342 WeakPolarHBondContact O-CG2 2.82Å; D338-V342 PolarHBondContact O-N 3.17Å; V342-F344 HydrophobicContact CG1-CD2 4.25Å; V342-F344 HydrophobicContact CG1-CE2 3.92Å; V342-C526 WeakPolarHBondContact O-CB 3.25Å; V342-Q830 HydrophobicContact CG1-CB 4.32Å; V342-Q830 HydrophobicContact CG1-CG 4.05Å; V342-I832 HydrophobicContact CG2-CD1 3.93Å; V342-I832 HydrophobicContact CG2-CG1 3.76Å
343Q43.6Very low43.4Very low113 Ų11397.1 Ų97.153%0.52849%0.494SS..  trans-116.5123.1176.2-70.1-179.2-5.900108.5K341K341-Q343 PolarHBondContact O-N 3.09Å; K341-Q343 VanDerWaalsContact O-N 3.1Å
344F46.9Very low41.8Very low26 Ų26104.2 Ų104.211%0.11453%0.525CS..PPolyproline II helixtrans-79.4136172.7-61.4-133.7000108.8V342 A346 G524 A525 L806 Q830 L867 H870V342-F344 HydrophobicContact CG1-CD2 4.25Å; V342-F344 HydrophobicContact CG1-CE2 3.92Å; F344-A346 PolarHBondContact O-N 3.5Å; F344-G524 VanDerWaalsContact N-CA 3.27Å; F344-G524 WeakPolarHBondContact O-CA 3.48Å; F344-A525 HydrophobicContact CB-CB 3.99Å; F344-A525 HydrophobicContact CD1-CB 3.88Å; F344-A525 HydrophobicContact CD2-CB 3.36Å; F344-A525 WeakPolarHBondContact CD2-O 3.24Å; F344-A525 HydrophobicContact CE1-CB 4.13Å; F344-A525 HydrophobicContact CE2-CB 3.57Å; F344-A525 WeakPolarHBondContact CE2-O 3.44Å; F344-A525 HydrophobicContact CG-CB 3.46Å; F344-A525 VanDerWaalsContact CG-CB 3.46Å; F344-A525 HydrophobicContact CZ-CB 3.96Å; F344-L806 HydrophobicContact CE1-CD1 4.21Å; F344-Q830 VanDerWaalsContact CE2-NE2 3.33Å; F344-Q830 VanDerWaalsContact CZ-NE2 3.28Å; F344-L867 HydrophobicContact CE2-CD1 3.93Å; F344-L867 HydrophobicContact CZ-CD1 3.72Å; F344-L867 HydrophobicContact CZ-CD2 4.19Å; F344-L867 HydrophobicContact CZ-CG 4.5Å; F344-H870 AromaticContact CD1-CD2 3.53Å; F344-H870 AromaticContact CE1-CD2 3.64Å
345Q32.4Very low40.2Very low196 Ų19699.3 Ų99.392%0.91653%0.525SS*.PPolyproline II helixtrans-63.7135.1176.9-85.8178.9-11.200110.9
346A31.8Very low38.9Very low54 Ų54108.7 Ų108.745%0.44657%0.568SS.*PPolyproline II helixtrans-65.9143.9168.400000109.8F344 L348 L522F344-A346 PolarHBondContact O-N 3.5Å; A346-L348 PolarHBondContact O-N 3.04Å; A346-L522 HydrophobicContact CB-CD2 3.87Å
347P29.1Very low36.9Very low98 Ų98111.8 Ų111.864%0.63659%0.593SS**PPolyproline II helixtrans-57.8125.1170.9-18.329.3000109.6L349P347-L349 PolarHBondContact O-N 3.06Å
348L28.1Very low35.1Very low169 Ų169117.1 Ų117.189%0.88562%0.617SS**  trans-65.9100.6169.2-72.7167.3000108A346 P350A346-L348 PolarHBondContact O-N 3.04Å; L348-P350 VanDerWaalsContact O-CD 3.3Å; L348-P350 WeakPolarHBondContact O-CD 3.47Å
349L26Very low33.5Very low163 Ų163123.3 Ų123.385%0.85365%0.646SS**  trans-62.9119.3159.9-79.8159.4000107.6P347 K351P347-L349 PolarHBondContact O-N 3.06Å; L349-K351 PolarHBondContact O-N 2.56Å
350P27.9Very low31.6Very low118 Ų118129.9 Ų129.977%0.76668%0.682SS**  trans-61.1128.7169.4-17.731.3000108.8L348 E352L348-P350 VanDerWaalsContact O-CD 3.3Å; L348-P350 WeakPolarHBondContact O-CD 3.47Å; P350-E352 PolarHBondContact O-N 3.38Å; P350-E352 VanDerWaalsContact O-N 3.13Å
351K26.4Very low30.2Very low192 Ų192131.4 Ų131.484%0.83569%0.693SS**  trans-57111.8169.8-79.6174.5170.7177.10109.1L349 T353L349-K351 PolarHBondContact O-N 2.56Å; K351-T353 PolarHBondContact O-N 3.1Å; K351-T353 VanDerWaalsContact O-N 3.1Å; K351-T353 PolarHBondContact O-OG1 3.42Å
352E25.5Very low29.2Very low203 Ų203131.7 Ų131.795%0.94970%0.701SS**  trans-62.3111.6157.9-73.2-176.2160.900107.4P350P350-E352 PolarHBondContact O-N 3.38Å; P350-E352 VanDerWaalsContact O-N 3.13Å
353T28.2Very low28Very low116 Ų116139 Ų13971%0.71273%0.732SS**  trans-116.5144169.2-32.80000107.3K351K351-T353 PolarHBondContact O-N 3.1Å; K351-T353 VanDerWaalsContact O-N 3.1Å; K351-T353 PolarHBondContact O-OG1 3.42Å
354E25.1Very low27.1Very low186 Ų186139.9 Ų139.987%0.86974%0.74SS**  trans-39.7148.9-171-68.3159.4143.900117.3
355A23.8Very low26Very low86 Ų86145.7 Ų145.771%0.71177%0.772SS**  trans-57.6139.5176.500000113.5
356H24.1Very low25.7Very low196 Ų196142.7 Ų142.791%0.90776%0.762SS**  trans-155.1146.5138.4-88.9-65.6000110.7
357S24.2Very low25.5Very low97 Ų97149.3 Ų149.368%0.67878%0.781SS**  trans-71.5142.2-171.447.50000115.4
358E23.2Very low25.5Very low178 Ų178150.4 Ų150.483%0.83279%0.789SS**  156130.5118.6-84.3-172.9168.400113.5
359M24.2Very low25.5Very low171 Ų171147.3 Ų147.384%0.84278%0.781SS**  trans46.7123.4148.4-79.5175.9164.500123.7
360D22.8Very low25.8Very low141 Ų141145.4 Ų145.475%0.75478%0.778SS**  107.4116.3124.2-97-6.7000122.6
361V25.3Very low25.9Very low103 Ų103147.4 Ų147.462%0.62477%0.771SS**  trans58.8106.2143.2-1570000121.1
362N24.5Very low26.3Very low140 Ų140141.2 Ų141.275%0.74975%0.752SS**  161.4132.7109.3-95.2-48.5000114.3
363K25Very low26.7Very low174 Ų174136.4 Ų136.476%0.75774%0.738SS**  trans37.7130.9141.5-81.4-177.2172.8-179.60123.8
364D23.9Very low27Very low131 Ų131135.6 Ų135.670%0.70173%0.725SS**  trans78.9130.4140.8-60.9-27.1000121.3
365N25Very low27.2Very low147 Ų147129.8 Ų129.879%0.78671%0.708SS**  trans72.6144.2168.2-61.5-22.1000115.6
366D26.5Very low27.4Very low134 Ų134132.4 Ų132.472%0.71771%0.71SS**  cis-167.4167.134.1-119.6-28.2000111.8
367F26.5Very low27.5Very low192 Ų192126.9 Ų126.984%0.84271%0.707SS**  trans-46152.4175.8-92.5-107.4000118.1
368P29.3Very low27.5Very low122 Ų122126 Ų12679%0.79271%0.713SS**  trans-93.1129.915532.8-25.3000112
369S28.1Very low27.7Very low104 Ų104125.3 Ų125.373%0.72771%0.713SS**  trans-105.2146.3171.861.80000111.8
370P32.9Very low27.8Very low122 Ų122124 Ų12479%0.79272%0.715SS**  trans-133.792.1140.932.8-16.6000109
371W30.2Very low28Very low161 Ų161123.4 Ų123.461%0.6172%0.717SS**  trans-125.2101.5173.2-74.489.3000108.8P660 Y661W371-P660 HydrophobicContact CH2-CB 3.83Å; W371-P660 HydrophobicContact CH2-CG 4.13Å; W371-P660 HydrophobicContact CZ3-CB 3.54Å; W371-P660 HydrophobicContact CZ3-CG 3.88Å; W371-Y661 HydrophobicContact CH2-CE1 4.19Å
372S34.4Very low28.1Very low62 Ų62124.4 Ų124.443%0.43473%0.728SS.*  trans-124135157.363.60000107.3F374 A375S372-F374 PolarHBondContact O-N 3.22Å; S372-F374 VanDerWaalsContact O-N 3.17Å; S372-A375 WeakPolarHBondContact OG-CB 3.38Å; S372-A375 PolarHBondContact OG-N 3.27Å
373P32.7Very low28.1Very low101 Ų101120.9 Ų120.966%0.65673%0.725SS**THydrogen-bonded Turntrans-67.8-6.6172.6-16.229.5000113
374F35.7Very low28.1Very low100 Ų100122.2 Ų122.244%0.43973%0.734SS.*THydrogen-bonded Turntrans-121.56.4-163.5-61.3-70.3000115.5S372 D845S372-F374 PolarHBondContact O-N 3.22Å; S372-F374 VanDerWaalsContact O-N 3.17Å; F374-D845 WeakPolarHBondContact CE1-O 3.44Å
375A29Very low28.2Very low64 Ų64123.8 Ų123.853%0.52974%0.741SS.*  trans-110.1120.4176.600000112.4S372S372-A375 WeakPolarHBondContact OG-CB 3.38Å; S372-A375 PolarHBondContact OG-N 3.27Å
376D28Very low28.2Very low140 Ų140121 Ų12175%0.74974%0.737SS**  trans-144.5117.6151.4-139.1-6000108.8R658D376-R658 IonicContact OD2-NH2 3.42Å
377G26.8Very low28Very low81 Ų81123 Ų12384%0.83574%0.742SS**  trans127.884.2164.800000117.1
378G23.8Very low28Very low79 Ų79121.4 Ų121.481%0.81474%0.742SS**  trans-171.2118.3164.700000113.1
379I28.1Very low27.8Very low162 Ų162123.8 Ų123.883%0.83174%0.742SS**  trans-85.5126.3-177.9-62.8167000110
380T25.7Very low27.6Very low144 Ų144125.9 Ų125.988%0.88375%0.745SS**  trans-149.2141150.551.30000112.6
381T26.8Very low27.3Very low129 Ų129124.9 Ų124.979%0.79175%0.747SS**  trans-94.6137.3-17545.90000113.1
382S26.6Very low27.1Very low123 Ų123126.8 Ų126.886%0.8676%0.76SS**  trans-177.3115.1141.453.20000110.2
383G24.3Very low26.7Very low67 Ų67133.2 Ų133.269%0.69178%0.783SS**  trans-88.4164.3171.300000112
384H25.3Very low26.4Very low202 Ų202136.8 Ų136.894%0.93579%0.791SS**  trans-156.9158.4150.5-93.313.2000110.4
385I26.5Very low25.9Very low164 Ų164137.3 Ų137.384%0.84180%0.803SS**  trans-93.4162.9-155.1-73.4164.8000113.3
386A24.7Very low25.7Very low87 Ų87143.7 Ų143.772%0.71982%0.822SS**  trans114.8144.2155.300000114.2
387H22.7Very low25.6Very low176 Ų176144.2 Ų144.282%0.81582%0.823SS**  cis-163.9146.7-9.5-128.6-99.3000105.4
388L26.2Very low25.5Very low160 Ų160146.2 Ų146.284%0.83883%0.825SS**  trans-78.8140.9166.3-109.888.1000109.1
389E24.3Very low25.7Very low172 Ų172147.3 Ų147.380%0.80482%0.816SS**  trans-171.2127.2135.5-104.6165.4-155.600112.3
390D25.3Very low25.7Very low147 Ų147146.7 Ų146.779%0.78681%0.814SS**  trans44.7119.8139-60.9-14.5000122.9
391A27Very low25.8Very low101 Ų101148.9 Ų148.984%0.83581%0.811SS**  -167.9108.2118.100000111
392F24Very low26Very low202 Ų202148.7 Ų148.789%0.88681%0.812SS**  trans-79.9130.6155.5-86.2-100.5000108.4
393E26.4Very low26Very low196 Ų196146.5 Ų146.592%0.91681%0.808SS**  trans-132.1107.5150.5-90.2-170.4165.300109.6
394E26.5Very low26.4Very low176 Ų176149.8 Ų149.882%0.82282%0.815SS**  trans-52.1159.2146.2-78.9-175.1152.400110.4
395V26.6Very low26.8Very low112 Ų112145.6 Ų145.668%0.67981%0.805SS**  cis-175.2144.16.9140.80000103.6
396E24.3Very low27.2Very low198 Ų198143.4 Ų143.493%0.92580%0.802SS**  -166132.1127.2-109.1-178.7-173.400113.7
397L26.4Very low27.7Very low150 Ų150145.4 Ų145.479%0.78581%0.807SS**  trans-102.4124.3-173.1-170.685.3000107.3T399L397-T399 HydrophobicContact CD2-CG2 4.34Å; L397-T399 HydrophobicContact CG-CG2 4.43Å
398S24.7Very low28.2Very low123 Ų123145 Ų14586%0.8681%0.81SS**  trans-123.6108.6164.6660000110.6
399T26.3Very low28.6Very low103 Ų103142.9 Ų142.963%0.63281%0.806SS**  trans-90160.2177.842.50000113.7L397L397-T399 HydrophobicContact CD2-CG2 4.34Å; L397-T399 HydrophobicContact CG-CG2 4.43Å
400L29.2Very low29.1Very low149 Ų149140.7 Ų140.778%0.7881%0.807SS**  trans101.8125.1159.3-54.6170.4000114.5
401K28Very low29.3Very low189 Ų189143.1 Ų143.182%0.82281%0.811SS**  cis-166.7-177.717.6-116.2-175.8-176.1178.50110.4
402P30.6Very low29.4Very low126 Ų126144.5 Ų144.582%0.81881%0.811SS**  trans-96151.2-137.439.7-34.6000116
403G27.8Very low29.7Very low76 Ų76146.4 Ų146.478%0.78481%0.813SS**  trans-134.9133173.200000112.3
404V31.8Very low29.8Very low137 Ų137145.4 Ų145.483%0.8381%0.812SS**PPolyproline II helixtrans-58.3144.7-174.4177.30000113.3
405P33.8Very low29.8Very low113 Ų113142.2 Ų142.273%0.73481%0.809SS**PPolyproline II helixtrans-74.8143.317529.1-32.8000112.6
406P35.3Very low29.8Very low119 Ų119142.1 Ų142.177%0.77381%0.813SS**PPolyproline II helixtrans-74.7155.8179.229.6-33000113.1
407P33.7Very low30.2Very low128 Ų128138.4 Ų138.483%0.83181%0.806SS**PPolyproline II helixtrans-81.5151.3-169.232.2-33.9000114.2
408L34.6Very low30.2Very low167 Ų167136.1 Ų136.187%0.87480%0.802SS**PPolyproline II helixtrans-72148.6176.1-70.8161.3000112.7
409P34.3Very low30.4Very low116 Ų116138.7 Ų138.775%0.75380%0.801SS**PPolyproline II helixtrans-75.5151179.929.3-33.2000113.6
410P34Very low30.5Very low127 Ų127141.5 Ų141.583%0.82581%0.807SS**PPolyproline II helixtrans-81.5145.9-172.131-33.2000114.3
411K29.6Very low30.4Very low197 Ų197142 Ų14286%0.85781%0.809SS**PPolyproline II helixtrans-69.7140.4172.2-74.3177.3176.5176.20111.7
412P30.6Very low30.4Very low131 Ų131136.1 Ų136.185%0.85180%0.803SS**PPolyproline II helixtrans-73132.117527-30.1000111.6
413R28.5Very low30.3Very low242 Ų242137.8 Ų137.891%0.91380%0.804SS**PPolyproline II helixtrans-88.3140.9171.2-74.9-178.4177.1174.6-0.6109.8
414I30.4Very low30.3Very low175 Ų175139.9 Ų139.990%0.89780%0.797SS**PPolyproline II helixtrans-73129.3172.5-63.5164000108.6
415S25.3Very low30.3Very low109 Ų109141 Ų14176%0.76279%0.794SS**  trans-141.3115.6165.455.40000109.6
416S26.8Very low30.2Very low109 Ų109141.8 Ų141.876%0.76279%0.788SS**  trans-74.4158.716028.70000110.7
417P32.4Very low29.9Very low121 Ų121145.6 Ų145.679%0.78679%0.786SS**  -139.4140.1117.929.5-12.4000115.1
418S27Very low29.9Very low101 Ų101144 Ų14471%0.70678%0.778SS**  trans30.3120.7133.8-54.60000120
419E28.1Very low29.7Very low178 Ų178143.1 Ų143.183%0.83277%0.774SS**  62.3126.291.1-72.7-177.1164.500112
420E29.5Very low29.6Very low161 Ų161142.9 Ų142.975%0.75277%0.77SS**  cis-173.7167.449.8-140.6-178.4-16800112.4
421L27.3Very low29.5Very low159 Ų159142.3 Ų142.383%0.83276%0.764SS**  trans88.3110.3153.8-70.7147.1000121.2
422G26.3Very low29.6Very low67 Ų67142.8 Ų142.869%0.69176%0.761SS**  141.279.411800000120.5
423L28.6Very low29.4Very low161 Ų161146.8 Ų146.884%0.84376%0.759SS**  trans73.3120133.2-59.8171.5000122.9
424N29.2Very low29.5Very low120 Ų120142.3 Ų142.364%0.64275%0.752SS**  117.1113.9122.3-86.417.4000121.2
425E31.3Very low30.1Very low161 Ų161139.6 Ų139.675%0.75275%0.746SS**  trans67.2135133.5-69.4-176.1157.400118
426E31.3Very low30.1Very low129 Ų129141.2 Ų141.260%0.60375%0.746SS**  cis-172.315220.5-129.6-161.4158.200109.6
427R30.2Very low30.2Very low198 Ų198140.7 Ų140.775%0.74774%0.743SS**  trans74.395.9144.9-78.4177172.2155.5-4.2123.4
428S31.8Very low30Very low94 Ų94142.6 Ų142.666%0.65774%0.741SS**  90.5115.595.2-78.90000123.1
429L31.5Very low30.1Very low149 Ų149145.3 Ų145.378%0.7875%0.747SS**  trans83.5134.7132.3-57.7165.2000117
430T32.3Very low30Very low112 Ų112140 Ų14069%0.68774%0.741SS**  cis-169.4128.719.15.30000108.8
431V32.1Very low30.9Very low115 Ų115138.2 Ų138.270%0.69774%0.743SS**  78.1116.989.5177.50000116
432R30.7Very low30.9Very low206 Ų206136.6 Ų136.678%0.77775%0.745SS**  175.8116.8108.2-86.5-164.2-178.5165.53.1115.8
433R26.2Very low31Very low215 Ų215142.2 Ų142.281%0.81175%0.754SS**  71115.2124.1-69.4-176.1-179.3169.3-1.2123.5
434L31.8Very low30.9Very low148 Ų148139 Ų13978%0.77575%0.75SS**  trans-62.8167.3143.6-93.3157.6000112.5
435P41.6Very low30.8Very low119 Ų119137.8 Ų137.877%0.77376%0.757SS**  -153.9162.166.238.8-15.5000121.2
436N27Very low30.5Very low143 Ų143141.1 Ų141.177%0.76576%0.763SS**  trans-10.3153.2153-62.2-9.8000121.2
437S28.6Very low30.3Very low98 Ų98144.9 Ų144.969%0.68577%0.771SS**  -168.5120.2114.2-171.80000113.2
438E27Very low30Very low161 Ų161143.2 Ų143.275%0.75277%0.772SS**  trans34.2127.5130.2-53-177.6131.800122.6
439N30.1Very low29.7Very low157 Ų157143.5 Ų143.584%0.8477%0.774SS**  172.7123.6107-89-34.1000111.6
440G26.1Very low29.5Very low68 Ų68142.9 Ų142.970%0.70178%0.776SS**  trans-87.6-151.9157.600000110.2
441P48Very low30.6Very low123 Ų123143 Ų14380%0.79978%0.779SS**  cis-130.4-177.4-3337.3-20.7000110.8
442S27.1Very low30.3Very low125 Ų125144.9 Ų144.987%0.87478%0.78SS**  trans161.4158132.350.70000114.1
443Q27.7Very low30.1Very low185 Ų185142.1 Ų142.186%0.86478%0.776SS**  trans-106.2169.1-151.3-61.1174.8-19.400114.1
444A26.8Very low30Very low93 Ų93135.8 Ų135.877%0.76977%0.765SS**  trans76.5122.1140.500000120.2
445A27.4Very low29.7Very low95 Ų95135.1 Ų135.179%0.78576%0.762SS**  161111.195.500000113.2
446R25Very low29Very low231 Ų231139.6 Ų139.687%0.87276%0.764SS**  24.6121.4122.6-145.9-179.1-164.81733.8118.9
447R26.8Very low29Very low207 Ų207136.9 Ų136.978%0.78176%0.761SS**  164.7123.8112.4-94.5-175.4172.8170-0.3114.5
448Q24.8Very low28.9Very low163 Ų163140.1 Ų140.176%0.76277%0.765SS**  51.5137.8120.3-72.9176.5-39.800123.7
449S26.1Very low28.8Very low101 Ų101140.5 Ų140.571%0.70677%0.767SS**  trans96.6103.4131.658.60000121.6
450T26.9Very low28.6Very low135 Ų135138.9 Ų138.983%0.82877%0.768SS**  49.4163.5109.816.60000121.7
451P55.6Low28.5Very low114 Ų114140.7 Ų140.774%0.7477%0.77SS**  -116.7-148.9-125.939.6-17.5000110.5
452E25.6Very low27.4Very low155 Ų155139.2 Ų139.272%0.72476%0.762SS**  trans105.7139.6173.6-69.5-162.4151.700114
453Q25.9Very low27.2Very low149 Ų149140.6 Ų140.670%0.69676%0.76SS**  cis-178.2163.9-6.1-166.1168.452.500106.7
454S23.7Very low27.2Very low82 Ų82141.2 Ų141.257%0.57376%0.76SS**  trans98.1114.413697.40000119.3
455N26.9Very low27.1Very low133 Ų133144.7 Ų144.771%0.71176%0.764SS**  83.1138.1119.3-66.8-9.1000117.9
456R26.2Very low27Very low214 Ų214144.8 Ų144.881%0.80876%0.76SS**  cis-168.8137.811.4-122.5171.4-177.6-178.2-1108
457A26.8Very low27Very low85 Ų85138.7 Ų138.770%0.70276%0.758SS**  61.4151121.900000119.1
458E25.7Very low26.9Very low166 Ų166134 Ų13478%0.77676%0.757SS**  cis-156.7151.825.6-81.1-173.1156.100112.1
459H25.3Very low26.9Very low170 Ų170132.6 Ų132.679%0.78776%0.759SS**  trans31.1129137.1-60.6-70.2000122.8
460S25.6Very low26.8Very low123 Ų123132.8 Ų132.886%0.8676%0.761SS**  -178153101.143.70000112.1
461S24.1Very low27.2Very low106 Ų106131.7 Ų131.774%0.74176%0.759SS**  trans-95.3175.1-170.549.90000113.5
462S24.7Very low26.3Very low91 Ų91132.2 Ų132.264%0.63676%0.762SS**  trans72.3118.9147.363.80000118.6
463D24.1Very low26.2Very low155 Ų155128.8 Ų128.883%0.82977%0.769SS**  -171.713593.9-90.5-29.7000113.1
464F27Very low26.1Very low198 Ų198125.2 Ų125.287%0.86877%0.772SS**  trans-60.4148.3155.8-86.8-105000109
465L26.1Very low26.1Very low165 Ų165129.5 Ų129.586%0.86479%0.787SS**  -173.9133.4122.6-95.6168.7000111.9
466S24.3Very low26Very low98 Ų98128.8 Ų128.869%0.68579%0.793SS**  trans-53151.2167.750.70000115.4
467A24.7Very low25.9Very low102 Ų102127 Ų12784%0.84379%0.793SS**  trans-149.994.4140.200000110
468S25.3Very low25.9Very low108 Ų108127.9 Ų127.976%0.75579%0.794SS**  trans-77.8137.4154-43.20000107.9
469V24.3Very low25.9Very low134 Ų134124.4 Ų124.481%0.81279%0.788SS**  trans-168.7120.8139.2-103.90000112.1
470S24.1Very low25.9Very low105 Ų105123 Ų12373%0.73479%0.786SS**  82.3105.1129.3-49.20000120.9
471S34.6Very low26.1Very low113 Ų113121 Ų12179%0.7978%0.777SS**  -67.1161.1128.1-38.90000108.9
472P37.2Very low26.2Very low125 Ų125122.1 Ų122.181%0.81278%0.775SS**  -156.2162.970.837.8-16.1000117.4
473G23.5Very low26.5Very low83 Ų83129 Ų12986%0.85679%0.789SS**  101.1137.6126.900000119.1
474G24Very low26.7Very low74 Ų74127.9 Ų127.976%0.76378%0.782SS**  trans120.28713000000117.7
475L24.1Very low26.9Very low171 Ų171123.9 Ų123.990%0.89578%0.779SS**  20.9128.6127.2-60.2164.5000118.2
476S25.3Very low27.1Very low118 Ų118123.2 Ų123.283%0.82578%0.776SS**  173.9139.7109.443.20000114.7
477H24.1Very low27.4Very low178 Ų178121.2 Ų121.282%0.82477%0.772SS**  trans-28.7148.8153.9-88-97.4000118.3
478S25.4Very low27.7Very low103 Ų103121.5 Ų121.572%0.7277%0.768SS**  157.7110.9121.543.20000107.4
479S25.4Very low28Very low93 Ų93121.8 Ų121.865%0.6576%0.764SS**  77.9131.872.281.90000113.7
480D26Very low28.3Very low140 Ų140122.6 Ų122.675%0.74976%0.764SS**  trans95.8117.6144.5-56-36.5000120.3
481A29.2Very low28.6Very low81 Ų81120.8 Ų120.867%0.66976%0.762SS**  74.3147.6120.400000116.3
482D26.8Very low28.4Very low129 Ų129123.6 Ų123.669%0.6977%0.768SS**  cis-175.7152.3-10.5-102.4-29.8000100.4
483Y31.5Very low27.7Very low236 Ų236121 Ų12193%0.92576%0.764SS**  trans-169.894.1131.2-101-68000107.3
484D28Very low28.4Very low131 Ų131123.1 Ų123.170%0.70176%0.763SS**  trans-38144.3146.6-79-39.4000112.5
485S30.5Very low28.5Very low115 Ų115124.6 Ų124.680%0.80476%0.762SS**  -170.493101.3-146.10000110.1
486D31.2Very low29Very low150 Ų150121.6 Ų121.680%0.80275%0.752SS**  49.5144.6105.7-143.86.3000120.4
487G29.8Very low29.1Very low57 Ų57122.4 Ų122.459%0.58875%0.753SS**  trans152.633.1158.100000121.6
488S30.9Very low29.6Very low108 Ų108119.4 Ų119.476%0.75575%0.749SS**  trans58.8154.7134.777.10000120.6
489V32.6Very low29.6Very low113 Ų113123 Ų12369%0.68575%0.754SS**  cis-163.4150.921.9-139.70000110.4
490N31Very low29.6Very low152 Ų152125.3 Ų125.381%0.81375%0.754SS**  trans75.7117.2142.5-68.9-18.4000123.2
491G28.9Very low29.6Very low67 Ų67128.3 Ų128.369%0.69176%0.755SS**  128.4108.7104.400000118.2
492D30.1Very low29.6Very low172 Ų172134.6 Ų134.692%0.9277%0.767SS**  trans65.3125.9147.9-64.3-22.5000122.3
493G24Very low29.6Very low70 Ų70136.6 Ų136.672%0.72277%0.772SS**  trans-79.4-170.8154.800000111.7
494P37.8Very low29.4Very low128 Ų128135.3 Ų135.383%0.83177%0.772SS**  cis-131.8178.1934.1-12.3000115.2
495S26Very low29.4Very low105 Ų105138.4 Ų138.473%0.73478%0.779SS**  trans-49.9157.7173.463.40000115
496P34.3Very low29.2Very low108 Ų108140.5 Ų140.570%0.70178%0.781SS**  -152147.661.137.4-15.2000119.2
497T27.1Very low29.2Very low135 Ų135142.6 Ų142.683%0.82878%0.783SS**  trans41.1168.113776.60000122.1
498P35.1Very low29.2Very low114 Ų114145.7 Ų145.774%0.7479%0.793SS**  -126.9164.7-104.526.1-1.7000113.8
499Q24.6Very low29.3Very low180 Ų180149.7 Ų149.784%0.84180%0.797SS**  trans-170.6129.8140.8-105.3173.419.700114.2
500H26Very low29.1Very low141 Ų141150.1 Ų150.165%0.65380%0.802SS**  trans74.2109.2147.3-82-67.1000123.6
501R26.4Very low29Very low202 Ų202147.9 Ų147.976%0.76281%0.805SS**  74.9115.7127-87.1173.6170.6168.4-4.1118.6
502K28.9Very low29.3Very low213 Ų213152.2 Ų152.293%0.92681%0.81SS**  -159.9135.1106.4-106.4167.8-176.1177.10113
503E26.1Very low29.6Very low171 Ų171150.6 Ų150.680%0.79980%0.802SS**  trans-66.3146.2-175.1-63161.9152.500113.1
504K27.3Very low30.1Very low209 Ų209151.6 Ų151.691%0.90981%0.812SS**  trans-119.2122.2148.5-110.8179.2177.71780107.7
505K28.1Very low29.9Very low196 Ų196151.8 Ų151.885%0.85281%0.806SS**PPolyproline II helixtrans-58.2124.8179.7-84172.7165.8175.90111.8
506D26.9Very low30.1Very low159 Ų159151.9 Ų151.985%0.8580%0.804SS**PPolyproline II helixtrans-102.5138.3153.1-84.4-37.3000109.6
507F30.7Very low30Very low194 Ų194152.7 Ų152.785%0.85181%0.809SS**PPolyproline II helixtrans-70.9136.9176.6-72.5-96.1000110.5K509F507-K509 PolarHBondContact O-N 2.98Å
508P30.6Very low30.3Very low123 Ų123151.9 Ų151.980%0.79980%0.804SS**PPolyproline II helixtrans-74.1130.2178.128.6-30.7000111
509K32.1Very low29.9Very low192 Ų192151 Ų15184%0.83580%0.798SS**PPolyproline II helixtrans-64.1146.4163.1-71.9174.8178174.60109.5F507F507-K509 PolarHBondContact O-N 2.98Å
510P28.9Very low30.3Very low122 Ų122153 Ų15379%0.79280%0.804SS**PPolyproline II helixtrans-64.3139.7179.3-4.715.5000111.5I512P510-I512 PolarHBondContact O-N 3.43Å
511A28.8Very low30.5Very low105 Ų105150.3 Ų150.387%0.86880%0.797SS**PPolyproline II helixtrans-63.2118.1179.300000111.4
512I36.1Very low30.9Very low157 Ų157147.7 Ų147.781%0.80580%0.798SS**  trans-100.2110163.516.7171.6000105.7P510P510-I512 PolarHBondContact O-N 3.43Å
513N36.2Very low31.3Very low139 Ų139142.5 Ų142.574%0.74378%0.778SS**  trans143.9102.7162.7-75.8-3.2000107.8L515N513-L515 PolarHBondContact O-N 2.84Å
514G34.6Very low32.4Very low91 Ų91134.8 Ų134.894%0.93875%0.745SS**SBendtrans-72.422.8172.800000114.2
515L33.7Very low34Very low132 Ų132124.9 Ų124.969%0.69170%0.702SS**SBendtrans-95.6136.9164.1-67.9171000107.2N513N513-L515 PolarHBondContact O-N 2.84Å
516P30.5Very low36.2Very low107 Ų107116.4 Ų116.470%0.69567%0.667SS**  trans-53142.3163.920-23.7000107.5T518P516-T518 VanDerWaalsContact C-N 3.3Å; P516-T518 PolarHBondContact O-N 3.43Å
517P31.8Very low38.8Very low124 Ų124109 Ų10981%0.80563%0.627SS**  trans-59.9101.7176.324.6-30.9000106.8P519P517-P519 WeakPolarHBondContact O-CD 3.17Å
518T32.5Very low41.3Very low118 Ų118101.8 Ų101.872%0.72460%0.601SS**  trans-58.7127.7165.6-2.30000104.3P516 K520P516-T518 VanDerWaalsContact C-N 3.3Å; P516-T518 PolarHBondContact O-N 3.43Å; T518-K520 PolarHBondContact O-N 2.89Å
519P27.4Very low44Very low96 Ų9699.7 Ų99.762%0.62358%0.579SS**  trans-50150.116811.8-16.7000107.6P517 V521P517-P519 WeakPolarHBondContact O-CD 3.17Å; P519-V521 HydrophobicContact CB-CG2 3.9Å; P519-V521 HydrophobicContact CG-CG2 3.71Å; P519-V521 WeakPolarHBondContact O-CG2 3.16Å; P519-V521 PolarHBondContact O-N 3.02Å
520K32.4Very low46.7Very low223 Ų22391.2 Ų91.297%0.9754%0.543SS*.SBendtrans-61.380.6170.2-74.5-176.1176.8-177.20108.2T518T518-K520 PolarHBondContact O-N 2.89Å
521V31.4Very low49.5Very low84 Ų8485.5 Ų85.551%0.50951%0.506SS..  trans-99130.3175.1-172.70000105P519 M523P519-V521 HydrophobicContact CB-CG2 3.9Å; P519-V521 HydrophobicContact CG-CG2 3.71Å; P519-V521 WeakPolarHBondContact O-CG2 3.16Å; P519-V521 PolarHBondContact O-N 3.02Å; V521-M523 HydrophobicContact CB-CG 3.97Å; V521-M523 HydrophobicContact CG1-CG 3.68Å; V521-M523 HydrophobicContact CG1-SD 4.09Å; V521-M523 PolarHBondContact O-N 3.13Å
522L33.4Very low52.4Low146 Ų14682.8 Ų82.876%0.76448%0.477SS*.  trans-62.862.1168.1-76.6138.3000110A346 G524A346-L522 HydrophobicContact CB-CD2 3.87Å; L522-G524 PolarHBondContact O-N 3.14Å
523M37.5Very low54.8Low104 Ų10475.7 Ų75.751%0.51244%0.443SS..  trans-85.3110.2175.6-73.3-66.5-72.300107.5V521V521-M523 HydrophobicContact CB-CG 3.97Å; V521-M523 HydrophobicContact CG1-CG 3.68Å; V521-M523 HydrophobicContact CG1-SD 4.09Å; V521-M523 PolarHBondContact O-N 3.13Å
524G49.9Very low57.4Low10 Ų1069.1 Ų69.110%0.10341%0.407CS..  trans-61.3165.1168.300000113F344 L522F344-G524 VanDerWaalsContact N-CA 3.27Å; F344-G524 WeakPolarHBondContact O-CA 3.48Å; L522-G524 PolarHBondContact O-N 3.14Å
525A60.7Low60.1Low1 Ų168.2 Ų68.21%0.00839%0.385CS..  trans-59.3147.6179.500000111.7F344 L867 A868 G869 H870F344-A525 HydrophobicContact CB-CB 3.99Å; F344-A525 HydrophobicContact CD1-CB 3.88Å; F344-A525 HydrophobicContact CD2-CB 3.36Å; F344-A525 WeakPolarHBondContact CD2-O 3.24Å; F344-A525 HydrophobicContact CE1-CB 4.13Å; F344-A525 HydrophobicContact CE2-CB 3.57Å; F344-A525 WeakPolarHBondContact CE2-O 3.44Å; F344-A525 HydrophobicContact CG-CB 3.46Å; F344-A525 VanDerWaalsContact CG-CB 3.46Å; F344-A525 HydrophobicContact CZ-CB 3.96Å; A525-L867 HydrophobicContact CB-CD1 4.33Å; A525-A868 CarbonylContact C-O 3.52Å; A525-A868 WeakPolarHBondContact CA-O 3.47Å; A525-A868 VanDerWaalsContact CB-O 3.28Å; A525-A868 WeakPolarHBondContact CB-O 3.46Å; A525-G869 WeakPolarHBondContact CB-O 3.43Å; A525-H870 HydrophobicContact CB-CB 3.67Å
526C73.1Confident62.8Low18 Ų1862.2 Ų62.212%0.12235%0.353CS..EExtended strand (participates in β ladder)trans-154.5156.9-178.359.20000110.1F339 V342 S528 A868F339-C526 WeakPolarHBondContact O-CB 3.45Å; V342-C526 WeakPolarHBondContact O-CB 3.25Å; C526-S528 PolarHBondContact O-N 3.06Å; C526-A868 PolarHBondContact N-O 2.91Å; C526-A868 PolarHBondContact O-N 2.74Å
527F81.8Confident65.8Low4 Ų463.9 Ų63.92%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-83.4109.5174.3-78.8-77.6000110.3F339 F813 M818 I832 V848 L850 I866 L867F339-F527 HydrophobicContact CB-CB 4.23Å; F339-F527 HydrophobicContact CD1-CB 3.34Å; F339-F527 AromaticContact CD1-CD2 3.69Å; F339-F527 HydrophobicContact CD1-CD2 3.69Å; F339-F527 AromaticContact CD1-CG 3.86Å; F339-F527 HydrophobicContact CD1-CG 3.86Å; F339-F527 HydrophobicContact CE1-CB 3.62Å; F339-F527 AromaticContact CE1-CD2 3.51Å; F339-F527 HydrophobicContact CE1-CD2 3.51Å; F339-F527 HydrophobicContact CE1-CE2 4.38Å; F339-F527 AromaticContact CE1-CG 3.73Å; F339-F527 HydrophobicContact CE1-CG 3.73Å; F339-F527 HydrophobicContact CG-CB 3.86Å; F339-F527 HydrophobicContact CZ-CB 4.44Å; F527-F813 HydrophobicContact CZ-CE1 4.16Å; F527-F813 HydrophobicContact CZ-CZ 4.19Å; F527-M818 HydrophobicContact CE2-SD 4.23Å; F527-I832 HydrophobicContact CD2-CD1 4.17Å; F527-V848 HydrophobicContact CE1-CG1 3.97Å; F527-V848 HydrophobicContact CZ-CG1 4.11Å; F527-L850 HydrophobicContact CD1-CD1 3.63Å; F527-L850 HydrophobicContact CD1-CG 4.12Å; F527-L850 HydrophobicContact CD2-CD1 4.27Å; F527-L850 HydrophobicContact CE1-CD1 3.31Å; F527-L850 HydrophobicContact CE1-CG 3.6Å; F527-L850 HydrophobicContact CE2-CD1 3.98Å; F527-L850 HydrophobicContact CG-CD1 4.11Å; F527-L850 HydrophobicContact CZ-CD1 3.51Å; F527-L850 HydrophobicContact CZ-CG 4.1Å; F527-I866 CarbonylContact C-O 3.56Å; F527-I866 VanDerWaalsContact CA-O 3.23Å; F527-I866 WeakPolarHBondContact CA-O 3.33Å; F527-L867 HydrophobicContact CD1-CB 4.08Å; F527-L867 HydrophobicContact CD1-CD1 4.39Å; F527-L867 HydrophobicContact CD2-CD1 4.08Å; F527-L867 HydrophobicContact CE1-CB 3.72Å; F527-L867 HydrophobicContact CE1-CD1 4.27Å; F527-L867 HydrophobicContact CE2-CD1 3.96Å; F527-L867 HydrophobicContact CG-CD1 4.3Å; F527-L867 HydrophobicContact CZ-CB 4.15Å; F527-L867 HydrophobicContact CZ-CD1 4.05Å
528S83.9Confident68.8Low41 Ų4158 Ų5829%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-93.4129177.5-64.90000110.5C526 V530 Y865 I866C526-S528 PolarHBondContact O-N 3.06Å; S528-V530 PolarHBondContact O-N 3.14Å; S528-Y865 CarbonylContact O-C 3.37Å; S528-Y865 VanDerWaalsContact O-CA 3.26Å; S528-Y865 WeakPolarHBondContact O-CA 3.42Å; S528-I866 PolarHBondContact N-O 2.97Å; S528-I866 PolarHBondContact O-N 2.78Å
529K86.9Confident71.7Confident80 Ų8054.8 Ų54.835%0.34829%0.29SS..EExtended strand (participates in β ladder)trans-69.2125.5172.4-170.2-168.6-71.2-1720109.4E336 D532 L864 Y865E336-K529 WeakPolarHBondContact OE1-CE 3.37Å; E336-K529 IonicContact OE1-NZ 3.15Å; E336-K529 PolarHBondContact OE1-NZ 3.24Å; K529-D532 HydrophobicContact CD-CB 4.34Å; K529-D532 IonicContact NZ-OD1 2.86Å; K529-D532 PolarHBondContact NZ-OD1 2.95Å; K529-L864 WeakPolarHBondContact CA-O 3.28Å; K529-Y865 HydrophobicContact CB-CD1 3.83Å; K529-Y865 HydrophobicContact CB-CE1 3.68Å; K529-Y865 WeakPolarHBondContact CE-OH 3.38Å; K529-Y865 HydrophobicContact CG-CD1 4.34Å; K529-Y865 HydrophobicContact CG-CE1 4Å
530V88.2Confident74.9Confident14 Ų1451 Ų519%0.08527%0.266CS..EExtended strand (participates in β ladder)trans-113.2-17.9-179-66.30000113.8S528 L554 L565 L567 L570 L864 I866S528-V530 PolarHBondContact O-N 3.14Å; V530-L554 HydrophobicContact CG2-CD1 4.35Å; V530-L565 HydrophobicContact CB-CD2 4.45Å; V530-L565 HydrophobicContact CG2-CD2 4.29Å; V530-L567 HydrophobicContact CB-CD2 4.5Å; V530-L567 HydrophobicContact CG1-CD2 4.25Å; V530-L570 HydrophobicContact CB-CD2 3.99Å; V530-L570 HydrophobicContact CG1-CD2 4.24Å; V530-L864 HydrophobicContact CG2-CB 4.08Å; V530-L864 PolarHBondContact N-O 2.86Å; V530-I866 HydrophobicContact CG1-CB 4.42Å; V530-I866 HydrophobicContact CG1-CD1 3.69Å; V530-I866 HydrophobicContact CG1-CG1 3.65Å; V530-I866 HydrophobicContact CG1-CG2 4.08Å; V530-I866 HydrophobicContact CG2-CG2 4Å
531F89.2Confident77.8Confident1 Ų140.9 Ų40.90%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-149.6130.7177.6-157.8-83.4000110.9I321 C534 L565 A573 M575 N863 L864I321-F531 HydrophobicContact CG2-CZ 4.08Å; F531-C534 HydrophobicContact CD1-CB 3.76Å; F531-C534 HydrophobicContact CE1-CB 4Å; F531-L565 HydrophobicContact CB-CD2 4.47Å; F531-L565 HydrophobicContact CD2-CD1 4.05Å; F531-L565 HydrophobicContact CD2-CD2 4.27Å; F531-L565 HydrophobicContact CE2-CD1 4.44Å; F531-A573 WeakPolarHBondContact CE2-O 3Å; F531-M575 HydrophobicContact CB-CE 4.03Å; F531-M575 HydrophobicContact CD1-CE 4Å; F531-M575 HydrophobicContact CD2-CE 3.48Å; F531-M575 VanDerWaalsContact CD2-CE 3.48Å; F531-M575 HydrophobicContact CD2-CG 4.11Å; F531-M575 HydrophobicContact CD2-SD 4.29Å; F531-M575 HydrophobicContact CE1-CE 4.33Å; F531-M575 HydrophobicContact CE1-SD 4.49Å; F531-M575 HydrophobicContact CE2-CB 4.48Å; F531-M575 HydrophobicContact CE2-CE 3.84Å; F531-M575 HydrophobicContact CE2-CG 3.66Å; F531-M575 HydrophobicContact CE2-SD 4.03Å; F531-M575 HydrophobicContact CG-CE 3.55Å; F531-M575 HydrophobicContact CZ-CE 4.24Å; F531-M575 HydrophobicContact CZ-CG 4.18Å; F531-M575 HydrophobicContact CZ-SD 4.12Å; F531-N863 WeakPolarHBondContact O-CA 3.4Å; F531-L864 HydrophobicContact CB-CB 3.94Å; F531-L864 HydrophobicContact CB-CD1 4Å; F531-L864 HydrophobicContact CB-CG 4.06Å; F531-L864 PolarHBondContact N-O 3.48Å; F531-L864 PolarHBondContact O-N 3.08Å
532D89.1Confident80.8Confident49 Ų4937.3 Ų37.326%0.26220%0.202SC..EExtended strand (participates in β ladder)trans-107.5129.8177.8-15858.1000110.7S323 I324 K529 N863S323-D532 WeakPolarHBondContact CA-O 3.22Å; S323-D532 WeakPolarHBondContact OG-CA 3.42Å; S323-D532 WeakPolarHBondContact OG-CB 3.39Å; S323-D532 PolarHBondContact OG-N 3.35Å; S323-D532 PolarHBondContact OG-O 2.97Å; I324-D532 PolarHBondContact N-O 3.34Å; I324-D532 VanDerWaalsContact N-O 3.13Å; K529-D532 HydrophobicContact CD-CB 4.34Å; K529-D532 IonicContact NZ-OD1 2.86Å; K529-D532 PolarHBondContact NZ-OD1 2.95Å; D532-N863 WeakPolarHBondContact CA-OD1 3.32Å; D532-N863 PolarHBondContact OD1-ND2 3.09Å; D532-N863 PolarHBondContact OD1-OD1 3.27Å
533G87.2Confident83.6Confident8 Ų831.1 Ų31.18%0.08217%0.171CC..EExtended strand (participates in β ladder)trans68.846.8175.400000114.8P535 S862 N863G533-P535 WeakPolarHBondContact O-CD 3.14Å; G533-S862 PolarHBondContact N-O 3.04Å; G533-N863 PolarHBondContact N-OD1 3.01Å
534C90.8Very high86.3Confident1 Ų126.3 Ų26.31%0.00715%0.147CC..EExtended strand (participates in β ladder)trans-66.1120.9172.8-170.60000111.3F531 L536 S862 L864F531-C534 HydrophobicContact CD1-CB 3.76Å; F531-C534 HydrophobicContact CE1-CB 4Å; C534-L536 VanDerWaalsContact C-N 3.33Å; C534-S862 WeakPolarHBondContact CA-O 3.43Å; C534-S862 VanDerWaalsContact CB-O 3.23Å; C534-S862 WeakPolarHBondContact CB-O 3.34Å; C534-S862 PolarHBondContact N-O 3.37Å; C534-S862 PolarHBondContact O-N 3.36Å; C534-S862 PolarHBondContact O-OG 3.16Å; C534-L864 HydrophobicContact CB-CD1 4.42Å; C534-L864 HydrophobicContact CB-CG 4.28Å
535P90.3Very high88.2Confident72 Ų7229.3 Ų29.347%0.46816%0.16SC..  trans-83.3-10.9176.434.7-35000113.2I321 G533 L861I321-P535 HydrophobicContact CD1-CG 4.01Å; I321-P535 HydrophobicContact CG1-CG 4.48Å; I321-P535 HydrophobicContact CG2-CG 3.77Å; G533-P535 WeakPolarHBondContact O-CD 3.14Å; P535-L861 HydrophobicContact CB-CD2 3.75Å
536L91.4Very high89.5Confident5 Ų529.8 Ų29.83%0.02616%0.162CC..SBendtrans-75.3140.6-173.3-61.4174.2000111.3I321 C534 I538 T558 Y563 M575I321-L536 HydrophobicContact CD1-CD1 3.82Å; I321-L536 HydrophobicContact CD1-CD2 3.47Å; I321-L536 VanDerWaalsContact CD1-CD2 3.47Å; I321-L536 HydrophobicContact CD1-CG 3.59Å; C534-L536 VanDerWaalsContact C-N 3.33Å; L536-I538 HydrophobicContact CB-CG1 4.04Å; L536-I538 PolarHBondContact O-N 3.03Å; L536-T558 HydrophobicContact CB-CG2 4.13Å; L536-T558 HydrophobicContact CD1-CG2 4.11Å; L536-Y563 HydrophobicContact CD1-CD1 3.96Å; L536-Y563 HydrophobicContact CD1-CD2 3.64Å; L536-Y563 HydrophobicContact CD1-CE1 4.29Å; L536-Y563 HydrophobicContact CD1-CE2 4Å; L536-Y563 HydrophobicContact CD1-CG 3.61Å; L536-Y563 HydrophobicContact CD2-CD2 4.23Å; L536-Y563 HydrophobicContact CD2-CE1 4.35Å; L536-Y563 HydrophobicContact CD2-CE2 3.71Å; L536-M575 HydrophobicContact CD1-SD 3.93Å
537K92.8Very high90.2Very high142 Ų14230.8 Ų30.862%0.61717%0.168SC*.  trans-87.191.5167.4-152.2177.6-172.4-177.20108.8T558 E559K537-T558 WeakPolarHBondContact O-CA 3.27Å; K537-T558 WeakPolarHBondContact O-CB 3.21Å; K537-E559 HydrophobicContact CB-CB 4.32Å; K537-E559 HydrophobicContact CB-CG 3.88Å; K537-E559 HydrophobicContact CD-CG 4.03Å; K537-E559 HydrophobicContact CG-CG 4.26Å; K537-E559 PolarHBondContact O-N 3.1Å; K537-E559 VanDerWaalsContact O-N 3.07Å
538I94.4Very high90.3Very high1 Ų136.3 Ų36.31%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-80.8129.7-173.6-56.2169.3000110.2L536 C540 F556 T558 R840 L842 L864L536-I538 HydrophobicContact CB-CG1 4.04Å; L536-I538 PolarHBondContact O-N 3.03Å; I538-C540 WeakPolarHBondContact CG2-O 3.38Å; I538-F556 HydrophobicContact CD1-CD1 4Å; I538-F556 HydrophobicContact CD1-CE1 4.42Å; I538-F556 HydrophobicContact CD1-CG 4.38Å; I538-F556 HydrophobicContact CG2-CB 4.2Å; I538-F556 HydrophobicContact CG2-CD1 4.03Å; I538-T558 HydrophobicContact CB-CG2 4.39Å; I538-T558 HydrophobicContact CG1-CG2 3.96Å; I538-R840 PolarHBondContact O-NH1 3.16Å; I538-R840 PolarHBondContact O-NH2 2.62Å; I538-L842 HydrophobicContact CB-CD1 4.2Å; I538-L842 HydrophobicContact CB-CD2 4.18Å; I538-L842 HydrophobicContact CD1-CD1 3.95Å; I538-L842 HydrophobicContact CG2-CD1 3.88Å; I538-L842 HydrophobicContact CG2-CD2 4.02Å; I538-L842 HydrophobicContact CG2-CG 4.42Å; I538-L864 HydrophobicContact CD1-CD1 3.87Å; I538-L864 HydrophobicContact CD1-CD2 3.69Å; I538-L864 HydrophobicContact CD1-CG 4.43Å
539N94Very high90.4Very high51 Ų5137.3 Ų37.327%0.27320%0.202SC..EExtended strand (participates in β ladder)trans-93.7-42.1175.8-66.9-41.7000111.7G557 E559 C583N539-G557 PolarHBondContact N-O 3.04Å; N539-E559 PolarHBondContact ND2-OE1 3.37Å; N539-E559 PolarHBondContact OD1-OE1 2.83Å; N539-C583 WeakPolarHBondContact CB-O 3.27Å; N539-C583 PolarHBondContact ND2-O 3.41Å
540C93.7Very high90.4Very high16 Ų1640 Ų4011%0.10821%0.214CC..EExtended strand (participates in β ladder)trans-150.8161.1-176.759.20000111.6I538 F556 G557 T584 W585 L842I538-C540 WeakPolarHBondContact CG2-O 3.38Å; C540-F556 WeakPolarHBondContact O-CA 3.43Å; C540-G557 PolarHBondContact N-O 2.88Å; C540-G557 PolarHBondContact O-N 2.92Å; C540-T584 VanDerWaalsContact SG-C 3.59Å; C540-W585 VanDerWaalsContact SG-CA 3.55Å; C540-L842 CarbonylContact C-O 3.57Å; C540-L842 WeakPolarHBondContact CA-O 3.35Å
541A94.8Very high90.5Very high10 Ų1040.8 Ų40.88%0.08322%0.217CC..EExtended strand (participates in β ladder)trans-137.2149.2176.200000111.8I555 F556 L842 V849A541-I555 CarbonylContact C-O 3.49Å; A541-I555 WeakPolarHBondContact CA-O 3.37Å; A541-F556 HydrophobicContact CB-CD1 3.75Å; A541-F556 HydrophobicContact CB-CE1 3.96Å; A541-L842 HydrophobicContact CB-CB 3.92Å; A541-L842 PolarHBondContact N-O 2.72Å; A541-V849 HydrophobicContact CB-CB 4.14Å; A541-V849 HydrophobicContact CB-CG1 4.27Å; A541-V849 HydrophobicContact CB-CG2 4.14Å
542T94.1Very high90.5Very high10 Ų1044.1 Ų44.16%0.06123%0.233CC..EExtended strand (participates in β ladder)trans-145175.3172.2-1700000109.6I555 L586 V588 L593T542-I555 HydrophobicContact CG2-CB 3.86Å; T542-I555 PolarHBondContact N-O 3.31Å; T542-I555 PolarHBondContact O-N 3.2Å; T542-L586 HydrophobicContact CG2-CB 3.88Å; T542-L586 HydrophobicContact CG2-CD1 4.15Å; T542-V588 HydrophobicContact CG2-CG2 3.68Å; T542-L593 HydrophobicContact CG2-CD1 4.03Å
543S92.6Very high90.6Very high15 Ų1542.7 Ų42.711%0.10522%0.224CC..EExtended strand (participates in β ladder)trans-128155.1177.171.70000112.1Y553 R846S543-Y553 CarbonylContact C-O 3.51Å; S543-Y553 VanDerWaalsContact CA-O 3.25Å; S543-Y553 WeakPolarHBondContact CA-O 3.46Å; S543-R846 WeakPolarHBondContact OG-CB 3.44Å
544W93.4Very high90.9Very high4 Ų442.3 Ų42.32%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-146.3146.5177.1177.260.7000110.3H546 Y553 I555 V588 N590 N591 L609 I610 F613W544-H546 HydrophobicContact CH2-CB 4.1Å; W544-H546 AromaticContact CH2-CD2 3.56Å; W544-H546 AromaticContact CH2-CG 3.95Å; W544-H546 HydrophobicContact CZ3-CB 4.19Å; W544-H546 AromaticContact CZ3-CD2 3.93Å; W544-Y553 HydrophobicContact CE3-CD2 4.04Å; W544-Y553 HydrophobicContact CE3-CG 4.49Å; W544-Y553 HydrophobicContact CZ3-CD2 4.25Å; W544-Y553 PolarHBondContact N-O 3.02Å; W544-Y553 PolarHBondContact O-N 2.7Å; W544-I555 HydrophobicContact CB-CD1 3.9Å; W544-V588 HydrophobicContact CB-CG1 4.14Å; W544-V588 HydrophobicContact CB-CG2 4.37Å; W544-V588 HydrophobicContact CG-CG1 4.13Å; W544-N590 PolarHBondContact NE1-O 3.12Å; W544-N591 PolarHBondContact NE1-OD1 2.95Å; W544-L609 HydrophobicContact CB-CD1 4.18Å; W544-L609 HydrophobicContact CD2-CB 4.31Å; W544-L609 HydrophobicContact CD2-CD1 3.5Å; W544-L609 HydrophobicContact CD2-CG 4.47Å; W544-L609 HydrophobicContact CE3-CB 4.39Å; W544-L609 HydrophobicContact CE3-CD1 4.08Å; W544-L609 HydrophobicContact CG-CD1 3.53Å; W544-L609 HydrophobicContact CH2-CB 3.84Å; W544-L609 HydrophobicContact CZ2-CB 3.74Å; W544-L609 HydrophobicContact CZ2-CD1 4.27Å; W544-L609 HydrophobicContact CZ3-CB 4.17Å; W544-I610 HydrophobicContact CH2-CD1 3.82Å; W544-I610 HydrophobicContact CZ2-CD1 3.63Å; W544-I610 HydrophobicContact CZ2-CG1 4.42Å; W544-F613 HydrophobicContact CE3-CE2 4.1Å; W544-F613 HydrophobicContact CE3-CZ 4.33Å; W544-F613 HydrophobicContact CH2-CD2 4.29Å; W544-F613 HydrophobicContact CZ3-CD1 4.49Å; W544-F613 AromaticContact CZ3-CD2 3.76Å; W544-F613 HydrophobicContact CZ3-CD2 3.76Å; W544-F613 HydrophobicContact CZ3-CE1 4.37Å; W544-F613 AromaticContact CZ3-CE2 3.6Å; W544-F613 HydrophobicContact CZ3-CE2 3.6Å; W544-F613 HydrophobicContact CZ3-CG 4.19Å; W544-F613 AromaticContact CZ3-CZ 3.93Å; W544-F613 HydrophobicContact CZ3-CZ 3.93Å
545I90.6Very high91.1Very high73 Ų7342.2 Ų42.237%0.37422%0.22SC..EExtended strand (participates in β ladder)trans-113.9122.9175.7-55-179.2000107.2D551 Q552I545-D551 WeakPolarHBondContact CA-O 3.24Å; I545-Q552 HydrophobicContact CG1-CG 4.24Å
546H88.3Confident91.4Very high11 Ų1138.8 Ų38.85%0.05120%0.198CC..  trans-65.1125.6178.7-169.6-61.8000109.6W544 D548 T549 K550 D551 Y553W544-H546 HydrophobicContact CH2-CB 4.1Å; W544-H546 AromaticContact CH2-CD2 3.56Å; W544-H546 AromaticContact CH2-CG 3.95Å; W544-H546 HydrophobicContact CZ3-CB 4.19Å; W544-H546 AromaticContact CZ3-CD2 3.93Å; H546-D548 VanDerWaalsContact C-N 3.34Å; H546-D548 IonicContact CE1-OD2 3.58Å; H546-D548 PolarHBondContact CE1-OD2 2.87Å; H546-D548 PolarHBondContact ND1-N 3.45Å; H546-D548 VanDerWaalsContact ND1-N 3.17Å; H546-D548 PolarHBondContact O-N 2.8Å; H546-T549 WeakPolarHBondContact CB-OG1 3.35Å; H546-T549 PolarHBondContact ND1-N 2.92Å; H546-K550 WeakPolarHBondContact O-CA 2.9Å; H546-K550 PolarHBondContact O-N 3.07Å; H546-D551 PolarHBondContact N-O 3.23Å; H546-Y553 HydrophobicContact CB-CD2 4.5Å; H546-Y553 HydrophobicContact CB-CE2 4.02Å
547P86.1Confident91.6Very high39 Ų3938.6 Ų38.625%0.25320%0.196SC..THydrogen-bonded Turntrans-64.8-35.9-17224.9-34.9000113K550 I610P547-K550 WeakPolarHBondContact O-CD 3.43Å; P547-K550 VanDerWaalsContact O-CE 3.22Å; P547-K550 WeakPolarHBondContact O-CE 3.42Å; P547-K550 PolarHBondContact O-NZ 3.36Å; P547-I610 VanDerWaalsContact CD-CD1 3.44Å; P547-I610 HydrophobicContact CG-CD1 3.39Å; P547-I610 HydrophobicContact CG-CG1 4.39Å
548D84.8Confident91.7Very high120 Ų12031.8 Ų31.864%0.64217%0.167SC*.THydrogen-bonded Turntrans-84.8-52.7-178.7-51.7-47000113.4H546H546-D548 VanDerWaalsContact C-N 3.34Å; H546-D548 IonicContact CE1-OD2 3.58Å; H546-D548 PolarHBondContact CE1-OD2 2.87Å; H546-D548 PolarHBondContact ND1-N 3.45Å; H546-D548 VanDerWaalsContact ND1-N 3.17Å; H546-D548 PolarHBondContact O-N 2.8Å
549T86.6Confident91.6Very high61 Ų6134.6 Ų34.637%0.37418%0.18SC..THydrogen-bonded Turntrans-80.4-20.7-17768.50000113.9H546 D551H546-T549 WeakPolarHBondContact CB-OG1 3.35Å; H546-T549 PolarHBondContact ND1-N 2.92Å; T549-D551 WeakPolarHBondContact CB-OD2 3.29Å; T549-D551 PolarHBondContact O-N 2.61Å; T549-D551 PolarHBondContact OG1-N 3.2Å; T549-D551 PolarHBondContact OG1-OD2 3.5Å
550K87.1Confident91.4Very high137 Ų13736.8 Ų36.860%0.59619%0.192SC*.  trans64.913.9-171.7-50.1-55.8-172.6-170.10114.7H546 P547H546-K550 WeakPolarHBondContact O-CA 2.9Å; H546-K550 PolarHBondContact O-N 3.07Å; P547-K550 WeakPolarHBondContact O-CD 3.43Å; P547-K550 VanDerWaalsContact O-CE 3.22Å; P547-K550 WeakPolarHBondContact O-CE 3.42Å; P547-K550 PolarHBondContact O-NZ 3.36Å
551D88.6Confident91.3Very high30 Ų3036 Ų3616%0.1619%0.186CC..  trans-69.8141.1174.3-59.5-39.7000111.1I545 H546 T549 Y553 N568I545-D551 WeakPolarHBondContact CA-O 3.24Å; H546-D551 PolarHBondContact N-O 3.23Å; T549-D551 WeakPolarHBondContact CB-OD2 3.29Å; T549-D551 PolarHBondContact O-N 2.61Å; T549-D551 PolarHBondContact OG1-N 3.2Å; T549-D551 PolarHBondContact OG1-OD2 3.5Å; D551-Y553 HydrophobicContact CB-CD2 4.34Å; D551-Y553 HydrophobicContact CB-CE2 3.56Å; D551-N568 HydrophobicContact CB-CB 4.46Å; D551-N568 PolarHBondContact OD1-ND2 2.85Å
552Q89.4Confident91.3Very high71 Ų7135.5 Ų35.533%0.33218%0.182SC..EExtended strand (participates in β ladder)trans-95.9127.1178.4-57.8-171.95.800110.2I545 N566 L567 N568I545-Q552 HydrophobicContact CG1-CG 4.24Å; Q552-N566 PolarHBondContact O-OD1 2.85Å; Q552-L567 HydrophobicContact CB-CB 4.23Å; Q552-L567 HydrophobicContact CB-CD1 4.3Å; Q552-L567 WeakPolarHBondContact O-CB 3.47Å; Q552-L567 PolarHBondContact O-N 2.86Å; Q552-N568 PolarHBondContact N-OD1 2.85Å
553Y91.6Very high91.3Very high19 Ų1935.4 Ų35.48%0.07518%0.181CC..EExtended strand (participates in β ladder)trans-117.1134.8179.2-67-91.3000110.7S543 W544 H546 D551 L565 N566 F613S543-Y553 CarbonylContact C-O 3.51Å; S543-Y553 VanDerWaalsContact CA-O 3.25Å; S543-Y553 WeakPolarHBondContact CA-O 3.46Å; W544-Y553 HydrophobicContact CE3-CD2 4.04Å; W544-Y553 HydrophobicContact CE3-CG 4.49Å; W544-Y553 HydrophobicContact CZ3-CD2 4.25Å; W544-Y553 PolarHBondContact N-O 3.02Å; W544-Y553 PolarHBondContact O-N 2.7Å; H546-Y553 HydrophobicContact CB-CD2 4.5Å; H546-Y553 HydrophobicContact CB-CE2 4.02Å; D551-Y553 HydrophobicContact CB-CD2 4.34Å; D551-Y553 HydrophobicContact CB-CE2 3.56Å; Y553-L565 CarbonylContact C-O 3.56Å; Y553-L565 WeakPolarHBondContact CA-O 3.43Å; Y553-N566 HydrophobicContact CD1-CB 3.96Å; Y553-N566 HydrophobicContact CE1-CB 3.58Å; Y553-F613 AromaticContact CD1-CE1 3.78Å; Y553-F613 HydrophobicContact CD1-CE1 3.78Å; Y553-F613 AromaticContact CD1-CZ 3.81Å; Y553-F613 HydrophobicContact CD1-CZ 3.81Å; Y553-F613 HydrophobicContact CD2-CE1 4.43Å; Y553-F613 HydrophobicContact CD2-CZ 4.43Å; Y553-F613 HydrophobicContact CE1-CD1 4.48Å; Y553-F613 AromaticContact CE1-CE1 3.42Å; Y553-F613 HydrophobicContact CE1-CE1 3.42Å; Y553-F613 VanDerWaalsContact CE1-CE1 3.42Å; Y553-F613 AromaticContact CE1-CZ 3.96Å; Y553-F613 HydrophobicContact CE1-CZ 3.96Å; Y553-F613 HydrophobicContact CE2-CE1 4.12Å; Y553-F613 HydrophobicContact CG-CE1 4.28Å; Y553-F613 HydrophobicContact CG-CZ 4.07Å; Y553-F613 AromaticContact CZ-CE1 3.62Å
554L93.4Very high91.4Very high0 Ų034.9 Ų34.90%018%0.177CC..EExtended strand (participates in β ladder)trans-87.5136.5158-65179.1000109.1V530 F556 T564 L565 L567 V847 V849 I866V530-L554 HydrophobicContact CG2-CD1 4.35Å; L554-F556 HydrophobicContact CB-CE1 4.43Å; L554-F556 HydrophobicContact CB-CE2 3.77Å; L554-F556 HydrophobicContact CB-CZ 3.65Å; L554-F556 HydrophobicContact CD1-CZ 3.81Å; L554-F556 HydrophobicContact CG-CZ 4.38Å; L554-T564 CarbonylContact O-C 3.43Å; L554-T564 VanDerWaalsContact O-CA 3.25Å; L554-T564 WeakPolarHBondContact O-CA 3.35Å; L554-L565 HydrophobicContact CB-CB 4.39Å; L554-L565 HydrophobicContact CD1-CD2 4.44Å; L554-L565 PolarHBondContact N-O 3.35Å; L554-L565 PolarHBondContact O-N 3.3Å; L554-L567 HydrophobicContact CD1-CD2 3.87Å; L554-L567 HydrophobicContact CD2-CD1 4.28Å; L554-L567 HydrophobicContact CG-CD1 3.99Å; L554-L567 HydrophobicContact CG-CD2 4Å; L554-L567 HydrophobicContact CG-CG 4.11Å; L554-V847 HydrophobicContact CD2-CB 4.38Å; L554-V847 HydrophobicContact CD2-CG1 4.28Å; L554-V849 HydrophobicContact CD2-CG2 4.2Å; L554-I866 HydrophobicContact CD1-CG2 3.71Å
555I95.4Very high91.3Very high0 Ų034.8 Ų34.80%018%0.177CC..EExtended strand (participates in β ladder)trans-119.5126.4178.1-49.5-175.9000108.3A541 T542 W544 I562 Y563 T564 L586 V588 L593 L609A541-I555 CarbonylContact C-O 3.49Å; A541-I555 WeakPolarHBondContact CA-O 3.37Å; T542-I555 HydrophobicContact CG2-CB 3.86Å; T542-I555 PolarHBondContact N-O 3.31Å; T542-I555 PolarHBondContact O-N 3.2Å; W544-I555 HydrophobicContact CB-CD1 3.9Å; I555-I562 HydrophobicContact CG2-CG2 3.48Å; I555-I562 VanDerWaalsContact CG2-CG2 3.48Å; I555-Y563 CarbonylContact C-O 3.53Å; I555-Y563 WeakPolarHBondContact CA-O 3.39Å; I555-T564 HydrophobicContact CG1-CG2 4.14Å; I555-T564 HydrophobicContact CG2-CG2 4.32Å; I555-L586 HydrophobicContact CG2-CD1 3.9Å; I555-V588 HydrophobicContact CD1-CG2 4.25Å; I555-L593 HydrophobicContact CD1-CD1 4.29Å; I555-L593 HydrophobicContact CG2-CD1 4.39Å; I555-L593 HydrophobicContact CG2-CD2 4.01Å; I555-L609 HydrophobicContact CD1-CD1 4.2Å; I555-L609 HydrophobicContact CD1-CD2 3.98Å
556F95.9Very high91.2Very high0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-114.8125.7-175.4-57.6-75.8000110.8I538 C540 A541 L554 T558 I562 Y563 L565 M575 V849 L864I538-F556 HydrophobicContact CD1-CD1 4Å; I538-F556 HydrophobicContact CD1-CE1 4.42Å; I538-F556 HydrophobicContact CD1-CG 4.38Å; I538-F556 HydrophobicContact CG2-CB 4.2Å; I538-F556 HydrophobicContact CG2-CD1 4.03Å; C540-F556 WeakPolarHBondContact O-CA 3.43Å; A541-F556 HydrophobicContact CB-CD1 3.75Å; A541-F556 HydrophobicContact CB-CE1 3.96Å; L554-F556 HydrophobicContact CB-CE1 4.43Å; L554-F556 HydrophobicContact CB-CE2 3.77Å; L554-F556 HydrophobicContact CB-CZ 3.65Å; L554-F556 HydrophobicContact CD1-CZ 3.81Å; L554-F556 HydrophobicContact CG-CZ 4.38Å; F556-T558 HydrophobicContact CB-CG2 4.06Å; F556-I562 CarbonylContact O-C 3.59Å; F556-I562 VanDerWaalsContact O-CA 3.25Å; F556-I562 WeakPolarHBondContact O-CA 3.48Å; F556-Y563 PolarHBondContact N-O 2.76Å; F556-Y563 PolarHBondContact O-N 2.85Å; F556-L565 HydrophobicContact CE2-CB 3.85Å; F556-L565 HydrophobicContact CE2-CD2 4.45Å; F556-M575 HydrophobicContact CD2-CE 4.23Å; F556-M575 HydrophobicContact CE2-CE 3.76Å; F556-M575 HydrophobicContact CZ-CE 4.28Å; F556-V849 HydrophobicContact CE1-CG1 4.14Å; F556-L864 HydrophobicContact CE1-CD1 4.01Å; F556-L864 HydrophobicContact CE2-CD1 4.37Å; F556-L864 HydrophobicContact CZ-CD1 3.79Å
557G95.5Very high91.1Very high0 Ų032.5 Ų32.50%017%0.166CC..EExtended strand (participates in β ladder)trans-90.8122.1168.300000108.6N539 C540 C583N539-G557 PolarHBondContact N-O 3.04Å; C540-G557 PolarHBondContact N-O 2.88Å; C540-G557 PolarHBondContact O-N 2.92Å; G557-C583 CarbonylContact C-O 3.42Å
558T95.3Very high91Very high0 Ų034.6 Ų34.60%018%0.175CC..EExtended strand (participates in β ladder)trans-130.1173.6-171.876.50000111.2L536 K537 I538 F556 D560 G561 Y563 K582 C583L536-T558 HydrophobicContact CB-CG2 4.13Å; L536-T558 HydrophobicContact CD1-CG2 4.11Å; K537-T558 WeakPolarHBondContact O-CA 3.27Å; K537-T558 WeakPolarHBondContact O-CB 3.21Å; I538-T558 HydrophobicContact CB-CG2 4.39Å; I538-T558 HydrophobicContact CG1-CG2 3.96Å; F556-T558 HydrophobicContact CB-CG2 4.06Å; T558-D560 PolarHBondContact O-N 2.91Å; T558-D560 PolarHBondContact OG1-N 2.85Å; T558-G561 WeakPolarHBondContact CA-O 3.23Å; T558-G561 WeakPolarHBondContact CB-O 3.36Å; T558-G561 PolarHBondContact N-O 3.44Å; T558-G561 PolarHBondContact OG1-N 2.78Å; T558-G561 VanDerWaalsContact OG1-N 3.11Å; T558-G561 PolarHBondContact OG1-O 3.17Å; T558-Y563 HydrophobicContact CG2-CD2 4.02Å; T558-K582 CarbonylContact O-C 3.51Å; T558-K582 WeakPolarHBondContact O-CA 2.94Å; T558-C583 PolarHBondContact N-O 3.36Å; T558-C583 PolarHBondContact O-N 3.09Å
559E92.4Very high90.6Very high60 Ų6032.6 Ų32.628%0.2816%0.161SC..SBendtrans-61.6-28171.8-67.5-64.5114.700113.3K537 N539 K582K537-E559 HydrophobicContact CB-CB 4.32Å; K537-E559 HydrophobicContact CB-CG 3.88Å; K537-E559 HydrophobicContact CD-CG 4.03Å; K537-E559 HydrophobicContact CG-CG 4.26Å; K537-E559 PolarHBondContact O-N 3.1Å; K537-E559 VanDerWaalsContact O-N 3.07Å; N539-E559 PolarHBondContact ND2-OE1 3.37Å; N539-E559 PolarHBondContact OD1-OE1 2.83Å; E559-K582 VanDerWaalsContact CD-CE 3.47Å; E559-K582 WeakPolarHBondContact O-CA 3.21Å; E559-K582 VanDerWaalsContact O-CB 3.26Å; E559-K582 WeakPolarHBondContact O-CB 2.94Å; E559-K582 WeakPolarHBondContact OE1-CE 3.4Å; E559-K582 IonicContact OE1-NZ 3.69Å; E559-K582 PolarHBondContact OE1-NZ 3.25Å; E559-K582 WeakPolarHBondContact OE2-CD 3.5Å; E559-K582 VanDerWaalsContact OE2-CE 3.26Å; E559-K582 WeakPolarHBondContact OE2-CE 3.49Å; E559-K582 IonicContact OE2-NZ 2.68Å; E559-K582 PolarHBondContact OE2-NZ 2.82Å
560D89.3Confident89.8Confident96 Ų9633.2 Ų33.251%0.51316%0.162SC..SBendtrans-105.5-4.3-172.8-56.7-44.7000113.5T558 Y563 Q577T558-D560 PolarHBondContact O-N 2.91Å; T558-D560 PolarHBondContact OG1-N 2.85Å; D560-Y563 HydrophobicContact CB-CE2 4.45Å; D560-Q577 PolarHBondContact O-NE2 3.43Å
561G92.1Very high88.5Confident0 Ų033.9 Ų33.90%017%0.167CC..  trans153.7-178.4-17500000115.3T558 F579 R581T558-G561 WeakPolarHBondContact CA-O 3.23Å; T558-G561 WeakPolarHBondContact CB-O 3.36Å; T558-G561 PolarHBondContact N-O 3.44Å; T558-G561 PolarHBondContact OG1-N 2.78Å; T558-G561 VanDerWaalsContact OG1-N 3.11Å; T558-G561 PolarHBondContact OG1-O 3.17Å; G561-F579 CarbonylContact C-O 3.59Å; G561-F579 WeakPolarHBondContact CA-O 3.44Å; G561-R581 CarbonylContact C-O 3.53Å; G561-R581 WeakPolarHBondContact CA-O 3.37Å
562I94.9Very high87.3Confident0 Ų037.3 Ų37.30%018%0.182CC..EExtended strand (participates in β ladder)trans-95.9124.2166.1-55.3178.2000107.5I555 F556 L578 F579 C583 L586 L593I555-I562 HydrophobicContact CG2-CG2 3.48Å; I555-I562 VanDerWaalsContact CG2-CG2 3.48Å; F556-I562 CarbonylContact O-C 3.59Å; F556-I562 VanDerWaalsContact O-CA 3.25Å; F556-I562 WeakPolarHBondContact O-CA 3.48Å; I562-L578 HydrophobicContact CG2-CB 4.42Å; I562-L578 HydrophobicContact CG2-CD2 4.48Å; I562-L578 PolarHBondContact O-N 3.24Å; I562-F579 HydrophobicContact CB-CB 4.01Å; I562-F579 HydrophobicContact CD1-CB 3.99Å; I562-F579 HydrophobicContact CD1-CD1 3.97Å; I562-F579 HydrophobicContact CD1-CG 4.4Å; I562-F579 HydrophobicContact CG1-CB 4.12Å; I562-F579 HydrophobicContact CG1-CD1 4.38Å; I562-F579 PolarHBondContact N-O 3.12Å; I562-F579 PolarHBondContact O-N 2.88Å; I562-C583 HydrophobicContact CD1-CB 4.45Å; I562-C583 HydrophobicContact CG1-CB 3.85Å; I562-L586 HydrophobicContact CD1-CD2 4.01Å; I562-L586 HydrophobicContact CG1-CD2 4.41Å; I562-L593 HydrophobicContact CD1-CD2 4.15Å; I562-L593 HydrophobicContact CG2-CD2 4Å
563Y94.2Very high86.5Confident7 Ų734.2 Ų34.23%0.02717%0.169CC..EExtended strand (participates in β ladder)trans-118.3154.2179.8-72-98.6000110.9I321 L536 I555 F556 T558 D560 M575 E576 Q577I321-Y563 HydrophobicContact CD1-CD1 4.43Å; I321-Y563 HydrophobicContact CD1-CE1 3.92Å; L536-Y563 HydrophobicContact CD1-CD1 3.96Å; L536-Y563 HydrophobicContact CD1-CD2 3.64Å; L536-Y563 HydrophobicContact CD1-CE1 4.29Å; L536-Y563 HydrophobicContact CD1-CE2 4Å; L536-Y563 HydrophobicContact CD1-CG 3.61Å; L536-Y563 HydrophobicContact CD2-CD2 4.23Å; L536-Y563 HydrophobicContact CD2-CE1 4.35Å; L536-Y563 HydrophobicContact CD2-CE2 3.71Å; I555-Y563 CarbonylContact C-O 3.53Å; I555-Y563 WeakPolarHBondContact CA-O 3.39Å; F556-Y563 PolarHBondContact N-O 2.76Å; F556-Y563 PolarHBondContact O-N 2.85Å; T558-Y563 HydrophobicContact CG2-CD2 4.02Å; D560-Y563 HydrophobicContact CB-CE2 4.45Å; Y563-M575 HydrophobicContact CD1-CB 4.43Å; Y563-E576 CarbonylContact C-O 3.57Å; Y563-E576 VanDerWaalsContact CA-O 3.29Å; Y563-E576 WeakPolarHBondContact CA-O 3.43Å; Y563-Q577 HydrophobicContact CD1-CB 3.89Å; Y563-Q577 HydrophobicContact CD1-CG 4.35Å; Y563-Q577 HydrophobicContact CE1-CB 3.51Å; Y563-Q577 HydrophobicContact CE1-CG 3.87Å; Y563-Q577 HydrophobicContact CE2-CG 4.12Å; Y563-Q577 PolarHBondContact OH-NE2 3.19Å
564T93.9Very high86.1Confident4 Ų434.6 Ų34.63%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-125.2146.1177.562.50000111.1L554 I555 M575 E576 L578 F613L554-T564 CarbonylContact O-C 3.43Å; L554-T564 VanDerWaalsContact O-CA 3.25Å; L554-T564 WeakPolarHBondContact O-CA 3.35Å; I555-T564 HydrophobicContact CG1-CG2 4.14Å; I555-T564 HydrophobicContact CG2-CG2 4.32Å; T564-M575 CarbonylContact O-C 3.55Å; T564-M575 VanDerWaalsContact O-CA 3.24Å; T564-M575 WeakPolarHBondContact O-CA 3.43Å; T564-E576 PolarHBondContact N-O 3.05Å; T564-E576 PolarHBondContact O-N 3.49Å; T564-E576 PolarHBondContact OG1-O 3.45Å; T564-L578 HydrophobicContact CG2-CB 4.18Å; T564-L578 HydrophobicContact CG2-CD2 4.11Å; T564-F613 HydrophobicContact CG2-CE2 4.25Å; T564-F613 HydrophobicContact CG2-CZ 3.96Å
565L91.6Very high85.9Confident2 Ų234.6 Ų34.61%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-129.3123.2173.6175.767.2000108.4V530 F531 Y553 L554 F556 T574 M575V530-L565 HydrophobicContact CB-CD2 4.45Å; V530-L565 HydrophobicContact CG2-CD2 4.29Å; F531-L565 HydrophobicContact CB-CD2 4.47Å; F531-L565 HydrophobicContact CD2-CD1 4.05Å; F531-L565 HydrophobicContact CD2-CD2 4.27Å; F531-L565 HydrophobicContact CE2-CD1 4.44Å; Y553-L565 CarbonylContact C-O 3.56Å; Y553-L565 WeakPolarHBondContact CA-O 3.43Å; L554-L565 HydrophobicContact CB-CB 4.39Å; L554-L565 HydrophobicContact CD1-CD2 4.44Å; L554-L565 PolarHBondContact N-O 3.35Å; L554-L565 PolarHBondContact O-N 3.3Å; F556-L565 HydrophobicContact CE2-CB 3.85Å; F556-L565 HydrophobicContact CE2-CD2 4.45Å; L565-T574 VanDerWaalsContact CD1-O 3.3Å; L565-T574 WeakPolarHBondContact CD1-O 3.43Å; L565-M575 HydrophobicContact CB-CG 4.22Å; L565-M575 HydrophobicContact CD1-CG 4.3Å; L565-M575 HydrophobicContact CD2-CE 4.28Å
566N89.8Confident85.6Confident13 Ų1338.2 Ų38.27%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-81.4118.2175.7-170.3-9.6000110.2Q552 Y553 N568 E569Q552-N566 PolarHBondContact O-OD1 2.85Å; Y553-N566 HydrophobicContact CD1-CB 3.96Å; Y553-N566 HydrophobicContact CE1-CB 3.58Å; N566-N568 VanDerWaalsContact C-N 3.32Å; N566-N568 WeakPolarHBondContact OD1-CB 3.39Å; N566-N568 PolarHBondContact OD1-N 3.21Å; N566-E569 HydrophobicContact CB-CB 4.19Å; N566-E569 PolarHBondContact ND2-OE2 3.48Å; N566-E569 PolarHBondContact O-N 3.46Å
567L85.8Confident85.4Confident24 Ų2439.7 Ų39.713%0.12620%0.197CC..SBendtrans-77.7-18.3178.4-63.2-179.1000112.8V530 Q552 L554 E569 L570 I866V530-L567 HydrophobicContact CB-CD2 4.5Å; V530-L567 HydrophobicContact CG1-CD2 4.25Å; Q552-L567 HydrophobicContact CB-CB 4.23Å; Q552-L567 HydrophobicContact CB-CD1 4.3Å; Q552-L567 WeakPolarHBondContact O-CB 3.47Å; Q552-L567 PolarHBondContact O-N 2.86Å; L554-L567 HydrophobicContact CD1-CD2 3.87Å; L554-L567 HydrophobicContact CD2-CD1 4.28Å; L554-L567 HydrophobicContact CG-CD1 3.99Å; L554-L567 HydrophobicContact CG-CD2 4Å; L554-L567 HydrophobicContact CG-CG 4.11Å; L567-E569 VanDerWaalsContact C-N 3.34Å; L567-L570 HydrophobicContact CD2-CD2 4.21Å; L567-L570 WeakPolarHBondContact O-CG 3.39Å; L567-I866 HydrophobicContact CD1-CD1 4.37Å
568N83.5Confident85.1Confident82 Ų8240.6 Ų40.644%0.43920%0.202SC..THydrogen-bonded Turntrans-78.3-24.5174.8-65.753.5000111.4D551 Q552 N566D551-N568 HydrophobicContact CB-CB 4.46Å; D551-N568 PolarHBondContact OD1-ND2 2.85Å; Q552-N568 PolarHBondContact N-OD1 2.85Å; N566-N568 VanDerWaalsContact C-N 3.32Å; N566-N568 WeakPolarHBondContact OD1-CB 3.39Å; N566-N568 PolarHBondContact OD1-N 3.21Å
569E76.6Confident84.8Confident78 Ų7840.8 Ų40.836%0.36420%0.202SC..THydrogen-bonded Turntrans-111.938.3-178.2-68.4168.1172.200111.6N566 L567 H571 E572N566-E569 HydrophobicContact CB-CB 4.19Å; N566-E569 PolarHBondContact ND2-OE2 3.48Å; N566-E569 PolarHBondContact O-N 3.46Å; L567-E569 VanDerWaalsContact C-N 3.34Å; E569-H571 PolarHBondContact O-N 3.05Å; E569-E572 HydrophobicContact CB-CG 4.19Å; E569-E572 WeakPolarHBondContact O-CB 3.26Å; E569-E572 PolarHBondContact O-N 2.98Å
570L69.5Low84.6Confident75 Ų7540.4 Ų40.439%0.39321%0.205SC..THydrogen-bonded Turntrans-55.1-23.8179.1-78.1168.6000113.8V530 L567 E572 A573V530-L570 HydrophobicContact CB-CD2 3.99Å; V530-L570 HydrophobicContact CG1-CD2 4.24Å; L567-L570 HydrophobicContact CD2-CD2 4.21Å; L567-L570 WeakPolarHBondContact O-CG 3.39Å; L570-E572 VanDerWaalsContact C-N 3.3Å; L570-E572 PolarHBondContact O-N 3.26Å; L570-A573 PolarHBondContact O-N 3.14Å
571H60.8Low84.6Confident151 Ų15139.7 Ų39.770%0.69920%0.195SC*.THydrogen-bonded Turntrans-69.1-26.3175.965.1-83.1000113.2E569E569-H571 PolarHBondContact O-N 3.05Å
572E62.5Low84.6Confident102 Ų10242.9 Ų42.948%0.47721%0.209SC..THydrogen-bonded Turntrans-77.9-29.5173.4-57.5-163.1164.400111.3E569 L570 T574E569-E572 HydrophobicContact CB-CG 4.19Å; E569-E572 WeakPolarHBondContact O-CB 3.26Å; E569-E572 PolarHBondContact O-N 2.98Å; L570-E572 VanDerWaalsContact C-N 3.3Å; L570-E572 PolarHBondContact O-N 3.26Å; E572-T574 WeakPolarHBondContact O-CG2 3.26Å; E572-T574 PolarHBondContact O-N 2.7Å
573A71.8Confident84.6Confident6 Ų642.9 Ų42.95%0.0521%0.209CC..  trans49.640.9174.300000113.3S323 F531 L570S323-A573 WeakPolarHBondContact CB-O 3.36Å; S323-A573 PolarHBondContact N-O 3.43Å; F531-A573 WeakPolarHBondContact CE2-O 3Å; L570-A573 PolarHBondContact O-N 3.14Å
574T84.8Confident84.6Confident26 Ų2644.6 Ų44.616%0.1622%0.22CC..EExtended strand (participates in β ladder)trans-111.5139.3-177.656.80000112.5T320 I321 R322 L565 E572T320-T574 HydrophobicContact CG2-CG2 4.27Å; I321-T574 CarbonylContact O-C 3.58Å; I321-T574 VanDerWaalsContact O-CA 3.27Å; I321-T574 WeakPolarHBondContact O-CA 3.37Å; R322-T574 HydrophobicContact CG-CG2 3.84Å; L565-T574 VanDerWaalsContact CD1-O 3.3Å; L565-T574 WeakPolarHBondContact CD1-O 3.43Å; E572-T574 WeakPolarHBondContact O-CG2 3.26Å; E572-T574 PolarHBondContact O-N 2.7Å
575M89.3Confident84.6Confident0 Ų046.8 Ų46.80%023%0.228CC..EExtended strand (participates in β ladder)trans-103.1133.2166.3-72.8176.5-178.700110.5T320 I321 F531 L536 F556 Y563 T564 L565 L864T320-M575 WeakPolarHBondContact CA-O 3.35Å; I321-M575 HydrophobicContact CB-CB 4.32Å; I321-M575 PolarHBondContact N-O 3.46Å; I321-M575 PolarHBondContact O-N 2.66Å; F531-M575 HydrophobicContact CB-CE 4.03Å; F531-M575 HydrophobicContact CD1-CE 4Å; F531-M575 HydrophobicContact CD2-CE 3.48Å; F531-M575 VanDerWaalsContact CD2-CE 3.48Å; F531-M575 HydrophobicContact CD2-CG 4.11Å; F531-M575 HydrophobicContact CD2-SD 4.29Å; F531-M575 HydrophobicContact CE1-CE 4.33Å; F531-M575 HydrophobicContact CE1-SD 4.49Å; F531-M575 HydrophobicContact CE2-CB 4.48Å; F531-M575 HydrophobicContact CE2-CE 3.84Å; F531-M575 HydrophobicContact CE2-CG 3.66Å; F531-M575 HydrophobicContact CE2-SD 4.03Å; F531-M575 HydrophobicContact CG-CE 3.55Å; F531-M575 HydrophobicContact CZ-CE 4.24Å; F531-M575 HydrophobicContact CZ-CG 4.18Å; F531-M575 HydrophobicContact CZ-SD 4.12Å; L536-M575 HydrophobicContact CD1-SD 3.93Å; F556-M575 HydrophobicContact CD2-CE 4.23Å; F556-M575 HydrophobicContact CE2-CE 3.76Å; F556-M575 HydrophobicContact CZ-CE 4.28Å; Y563-M575 HydrophobicContact CD1-CB 4.43Å; T564-M575 CarbonylContact O-C 3.55Å; T564-M575 VanDerWaalsContact O-CA 3.24Å; T564-M575 WeakPolarHBondContact O-CA 3.43Å; L565-M575 HydrophobicContact CB-CG 4.22Å; L565-M575 HydrophobicContact CD1-CG 4.3Å; L565-M575 HydrophobicContact CD2-CE 4.28Å; M575-L864 HydrophobicContact CE-CD1 3.27Å
576E89.1Confident84.8Confident76 Ų7647.3 Ų47.336%0.35523%0.231SC..EExtended strand (participates in β ladder)trans-113.6131.6179.7-59.2-162.8148.700111.5Y563 T564 L578Y563-E576 CarbonylContact C-O 3.57Å; Y563-E576 VanDerWaalsContact CA-O 3.29Å; Y563-E576 WeakPolarHBondContact CA-O 3.43Å; T564-E576 PolarHBondContact N-O 3.05Å; T564-E576 PolarHBondContact O-N 3.49Å; T564-E576 PolarHBondContact OG1-O 3.45Å; E576-L578 PolarHBondContact O-N 2.9Å
577Q90.2Very high85.1Confident32 Ų3248.6 Ų48.615%0.1524%0.235CC..EExtended strand (participates in β ladder)trans-73.8118.3176.3-163.9-17835.900111H319 D560 Y563H319-Q577 PolarHBondContact O-N 3.27Å; D560-Q577 PolarHBondContact O-NE2 3.43Å; Y563-Q577 HydrophobicContact CD1-CB 3.89Å; Y563-Q577 HydrophobicContact CD1-CG 4.35Å; Y563-Q577 HydrophobicContact CE1-CB 3.51Å; Y563-Q577 HydrophobicContact CE1-CG 3.87Å; Y563-Q577 HydrophobicContact CE2-CG 4.12Å; Y563-Q577 PolarHBondContact OH-NE2 3.19Å
578L89.8Confident85.5Confident19 Ų1947.4 Ų47.410%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-90.8-38.6178.1-167.370.8000112.1I562 T564 E576 L609 L612 F613 L616I562-L578 HydrophobicContact CG2-CB 4.42Å; I562-L578 HydrophobicContact CG2-CD2 4.48Å; I562-L578 PolarHBondContact O-N 3.24Å; T564-L578 HydrophobicContact CG2-CB 4.18Å; T564-L578 HydrophobicContact CG2-CD2 4.11Å; E576-L578 PolarHBondContact O-N 2.9Å; L578-L609 HydrophobicContact CD2-CD2 3.86Å; L578-L612 HydrophobicContact CD1-CB 3.69Å; L578-L612 HydrophobicContact CD1-CD1 4.45Å; L578-L612 HydrophobicContact CD2-CD1 4.1Å; L578-L612 HydrophobicContact CG-CB 4.23Å; L578-L612 HydrophobicContact CG-CD1 4.07Å; L578-F613 HydrophobicContact CD1-CD2 4.1Å; L578-F613 HydrophobicContact CD1-CE2 4.07Å; L578-F613 HydrophobicContact CD2-CE2 4.4Å; L578-L616 HydrophobicContact CD1-CD1 3.67Å
579F88.6Confident85.9Confident3 Ų343.6 Ų43.61%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-147.6124-177.5-172.5-116.6000111.9G561 I562 R581 H607 H628 T642G561-F579 CarbonylContact C-O 3.59Å; G561-F579 WeakPolarHBondContact CA-O 3.44Å; I562-F579 HydrophobicContact CB-CB 4.01Å; I562-F579 HydrophobicContact CD1-CB 3.99Å; I562-F579 HydrophobicContact CD1-CD1 3.97Å; I562-F579 HydrophobicContact CD1-CG 4.4Å; I562-F579 HydrophobicContact CG1-CB 4.12Å; I562-F579 HydrophobicContact CG1-CD1 4.38Å; I562-F579 PolarHBondContact N-O 3.12Å; I562-F579 PolarHBondContact O-N 2.88Å; F579-R581 VanDerWaalsContact C-N 3.3Å; F579-R581 HydrophobicContact CD1-CB 3.9Å; F579-R581 HydrophobicContact CD1-CG 4.18Å; F579-R581 HydrophobicContact CE1-CB 3.56Å; F579-R581 HydrophobicContact CE1-CG 3.56Å; F579-R581 HydrophobicContact CZ-CB 4.35Å; F579-R581 HydrophobicContact CZ-CG 3.83Å; F579-R581 PolarHBondContact O-N 3.37Å; F579-H607 AromaticContact CD1-CE1 3.6Å; F579-H607 AromaticContact CE1-CE1 3.66Å; F579-H607 AromaticContact CG-CE1 3.82Å; F579-H607 AromaticContact CZ-CE1 3.98Å; F579-H628 HydrophobicContact CE2-CB 3.88Å; F579-T642 HydrophobicContact CE2-CG2 3.83Å; F579-T642 HydrophobicContact CZ-CG2 3.89Å
580P89Confident86.5Confident52 Ų5242.7 Ų42.734%0.33821%0.206SC..  trans-89.754.3-169.437.4-37.7000112.6
581R88.4Confident87.5Confident82 Ų8241.6 Ų41.631%0.30920%0.201SC..SBendtrans-134.4140.2172.7-63.9-169177.9-92.5-3111.2G561 F579 C583 V598G561-R581 CarbonylContact C-O 3.53Å; G561-R581 WeakPolarHBondContact CA-O 3.37Å; F579-R581 VanDerWaalsContact C-N 3.3Å; F579-R581 HydrophobicContact CD1-CB 3.9Å; F579-R581 HydrophobicContact CD1-CG 4.18Å; F579-R581 HydrophobicContact CE1-CB 3.56Å; F579-R581 HydrophobicContact CE1-CG 3.56Å; F579-R581 HydrophobicContact CZ-CB 4.35Å; F579-R581 HydrophobicContact CZ-CG 3.83Å; F579-R581 PolarHBondContact O-N 3.37Å; R581-C583 PolarHBondContact O-N 3.14Å; R581-V598 PolarHBondContact NH1-O 2.55Å
582K92.9Very high89Confident67 Ų6735.3 Ų35.329%0.29117%0.172SC..  trans-47.3125.7170172.7166.3171.9160.40109.7T558 E559 S597 V598T558-K582 CarbonylContact O-C 3.51Å; T558-K582 WeakPolarHBondContact O-CA 2.94Å; E559-K582 VanDerWaalsContact CD-CE 3.47Å; E559-K582 WeakPolarHBondContact O-CA 3.21Å; E559-K582 VanDerWaalsContact O-CB 3.26Å; E559-K582 WeakPolarHBondContact O-CB 2.94Å; E559-K582 WeakPolarHBondContact OE1-CE 3.4Å; E559-K582 IonicContact OE1-NZ 3.69Å; E559-K582 PolarHBondContact OE1-NZ 3.25Å; E559-K582 WeakPolarHBondContact OE2-CD 3.5Å; E559-K582 VanDerWaalsContact OE2-CE 3.26Å; E559-K582 WeakPolarHBondContact OE2-CE 3.49Å; E559-K582 IonicContact OE2-NZ 2.68Å; E559-K582 PolarHBondContact OE2-NZ 2.82Å; K582-S597 CarbonylContact O-C 3.56Å; K582-S597 WeakPolarHBondContact O-CA 3.14Å; K582-V598 HydrophobicContact CB-CB 4.12Å; K582-V598 HydrophobicContact CB-CG2 4.04Å; K582-V598 HydrophobicContact CD-CG2 3.99Å; K582-V598 HydrophobicContact CG-CG2 3.88Å; K582-V598 PolarHBondContact O-N 3.42Å
583C94.9Very high90.6Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-128.8130.6-177.5-179.10000109.8N539 G557 T558 I562 R581 W585 L586 L596N539-C583 WeakPolarHBondContact CB-O 3.27Å; N539-C583 PolarHBondContact ND2-O 3.41Å; G557-C583 CarbonylContact C-O 3.42Å; T558-C583 PolarHBondContact N-O 3.36Å; T558-C583 PolarHBondContact O-N 3.09Å; I562-C583 HydrophobicContact CD1-CB 4.45Å; I562-C583 HydrophobicContact CG1-CB 3.85Å; R581-C583 PolarHBondContact O-N 3.14Å; C583-W585 PolarHBondContact SG-O 3.01Å; C583-L586 WeakPolarHBondContact SG-CD2 3.38Å; C583-L596 WeakPolarHBondContact CA-O 3.28Å
584T93.8Very high91.7Very high43 Ų4330.2 Ų30.226%0.26415%0.147SC..EExtended strand (participates in β ladder)trans-113.8-15.3-176.7530000113.6C540 L596 F602C540-T584 VanDerWaalsContact SG-C 3.59Å; T584-L596 PolarHBondContact N-O 3.1Å; T584-F602 HydrophobicContact CG2-CE1 3.78Å; T584-F602 HydrophobicContact CG2-CZ 4.43Å
585W94.9Very high92.2Very high49 Ų4929 Ų2919%0.18614%0.14CC..EExtended strand (participates in β ladder)trans-149.6140179.4179.691.6000110.1C540 C583 Y587 M594 S595 L596 L604 C654 I656 L667C540-W585 VanDerWaalsContact SG-CA 3.55Å; C583-W585 PolarHBondContact SG-O 3.01Å; W585-Y587 HydrophobicContact CH2-CG 4.25Å; W585-Y587 HydrophobicContact CZ2-CG 4.42Å; W585-M594 HydrophobicContact CH2-CB 4.26Å; W585-M594 HydrophobicContact CZ3-CB 3.8Å; W585-S595 CarbonylContact O-C 3.48Å; W585-S595 VanDerWaalsContact O-CA 3.32Å; W585-S595 WeakPolarHBondContact O-CA 3.43Å; W585-L596 HydrophobicContact CB-CB 3.82Å; W585-L596 HydrophobicContact CE3-CB 4.49Å; W585-L596 PolarHBondContact O-N 3.4Å; W585-L604 HydrophobicContact CE3-CD2 4.35Å; W585-L604 HydrophobicContact CZ3-CD2 4.1Å; W585-C654 HydrophobicContact CD2-CB 3.82Å; W585-C654 HydrophobicContact CE3-CB 4.02Å; W585-C654 HydrophobicContact CG-CB 4.28Å; W585-C654 HydrophobicContact CH2-CB 4.31Å; W585-C654 HydrophobicContact CZ2-CB 4.14Å; W585-C654 HydrophobicContact CZ3-CB 4.26Å; W585-C654 PolarHBondContact NE1-O 2.82Å; W585-I656 HydrophobicContact CH2-CD1 3.55Å; W585-I656 HydrophobicContact CH2-CG1 4.08Å; W585-I656 HydrophobicContact CZ2-CD1 3.91Å; W585-I656 HydrophobicContact CZ2-CG1 4.08Å; W585-L667 HydrophobicContact CH2-CD1 4.33Å
586L95.4Very high92.5Very high14 Ų1429 Ų297%0.07314%0.14CC..EExtended strand (participates in β ladder)trans-135.3147.1179.9-69.6179.5000110.6T542 I555 I562 C583 L593 M594T542-L586 HydrophobicContact CG2-CB 3.88Å; T542-L586 HydrophobicContact CG2-CD1 4.15Å; I555-L586 HydrophobicContact CG2-CD1 3.9Å; I562-L586 HydrophobicContact CD1-CD2 4.01Å; I562-L586 HydrophobicContact CG1-CD2 4.41Å; C583-L586 WeakPolarHBondContact SG-CD2 3.38Å; L586-L593 HydrophobicContact CB-CD1 4.3Å; L586-L593 HydrophobicContact CD2-CD1 3.98Å; L586-L593 HydrophobicContact CD2-CD2 4.14Å; L586-L593 HydrophobicContact CD2-CG 4.17Å; L586-M594 CarbonylContact C-O 3.48Å; L586-M594 WeakPolarHBondContact CA-O 3.4Å
587Y94.8Very high92.7Very high39 Ų3925.4 Ų25.415%0.15312%0.123CC..EExtended strand (participates in β ladder)trans-151.7138.4168.1177.8-102.2000111W585 I589 M594 I656W585-Y587 HydrophobicContact CH2-CG 4.25Å; W585-Y587 HydrophobicContact CZ2-CG 4.42Å; Y587-I589 HydrophobicContact CD1-CB 4.28Å; Y587-I589 HydrophobicContact CD1-CG2 4.45Å; Y587-I589 HydrophobicContact CE1-CB 3.75Å; Y587-I589 HydrophobicContact CE1-CG2 4.3Å; Y587-M594 HydrophobicContact CD1-CG 4.43Å; Y587-M594 PolarHBondContact N-O 3.45Å; Y587-M594 PolarHBondContact O-N 3.16Å; Y587-I656 HydrophobicContact CD1-CD1 3.07Å; Y587-I656 HydrophobicContact CD1-CG1 4.45Å; Y587-I656 HydrophobicContact CD2-CD1 4Å; Y587-I656 HydrophobicContact CE1-CD1 3.4Å; Y587-I656 HydrophobicContact CE1-CG2 3.98Å; Y587-I656 HydrophobicContact CE2-CB 4.48Å; Y587-I656 HydrophobicContact CE2-CD1 4.31Å; Y587-I656 HydrophobicContact CE2-CG2 4.07Å; Y587-I656 HydrophobicContact CG-CD1 3.38Å
588V94.3Very high92.4Very high0 Ų025.9 Ų25.90%013%0.128CC..EExtended strand (participates in β ladder)trans-109.1125.9179.1176.70000110.3T542 W544 I555 L593 L609 R846T542-V588 HydrophobicContact CG2-CG2 3.68Å; W544-V588 HydrophobicContact CB-CG1 4.14Å; W544-V588 HydrophobicContact CB-CG2 4.37Å; W544-V588 HydrophobicContact CG-CG1 4.13Å; I555-V588 HydrophobicContact CD1-CG2 4.25Å; V588-L593 HydrophobicContact CG2-CD1 3.46Å; V588-L593 VanDerWaalsContact CG2-CD1 3.46Å; V588-L609 HydrophobicContact CG1-CD1 4.2Å; V588-L609 HydrophobicContact CG2-CD1 4.44Å; V588-R846 PolarHBondContact O-NH2 2.94Å
589I91.8Very high91.5Very high2 Ų226.2 Ų26.21%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-128.1119.6171.3-176.7162000109.9Y587 N591 N592 M594 K665 W680 F687Y587-I589 HydrophobicContact CD1-CB 4.28Å; Y587-I589 HydrophobicContact CD1-CG2 4.45Å; Y587-I589 HydrophobicContact CE1-CB 3.75Å; Y587-I589 HydrophobicContact CE1-CG2 4.3Å; I589-N591 PolarHBondContact O-N 3.19Å; I589-N592 HydrophobicContact CG2-CB 4.37Å; I589-N592 PolarHBondContact N-O 3.34Å; I589-N592 PolarHBondContact O-N 3.3Å; I589-M594 HydrophobicContact CG2-CG 4.43Å; I589-K665 HydrophobicContact CD1-CD 3.4Å; I589-K665 VanDerWaalsContact CD1-CD 3.4Å; I589-K665 HydrophobicContact CG1-CD 4.47Å; I589-W680 HydrophobicContact CD1-CB 4.23Å; I589-W680 HydrophobicContact CD1-CD2 3.41Å; I589-W680 VanDerWaalsContact CD1-CD2 3.41Å; I589-W680 HydrophobicContact CD1-CE3 3.78Å; I589-W680 HydrophobicContact CD1-CG 3.62Å; I589-W680 HydrophobicContact CD1-CH2 4.48Å; I589-W680 HydrophobicContact CD1-CZ2 4.19Å; I589-W680 HydrophobicContact CD1-CZ3 4.3Å; I589-W680 HydrophobicContact CG1-CD2 4.17Å; I589-W680 HydrophobicContact CG1-CE3 4.4Å; I589-W680 HydrophobicContact CG1-CH2 4.26Å; I589-W680 HydrophobicContact CG1-CZ2 4.04Å; I589-W680 HydrophobicContact CG1-CZ3 4.45Å; I589-W680 HydrophobicContact CG2-CE3 3.94Å; I589-W680 HydrophobicContact CG2-CH2 3.7Å; I589-W680 HydrophobicContact CG2-CZ2 4.34Å; I589-W680 HydrophobicContact CG2-CZ3 3.48Å; I589-W680 VanDerWaalsContact CG2-CZ3 3.48Å; I589-F687 HydrophobicContact CD1-CZ 4.26Å; I589-F687 HydrophobicContact CG2-CE2 3.97Å
590N89.1Confident90.8Very high58 Ų5836 Ų3631%0.3117%0.173SC..THydrogen-bonded Turntrans52.2-113.7-171.7-56.3-13.3000110.1W544 E682 Q685W544-N590 PolarHBondContact NE1-O 3.12Å; N590-E682 PolarHBondContact ND2-OE1 2.9Å; N590-Q685 PolarHBondContact ND2-OE1 3.4Å
591N90.8Very high90.4Very high53 Ų5335 Ų3528%0.28317%0.168SC..THydrogen-bonded Turntrans-108.614.1178.1-63.2-35.9000113.3W544 I589 L609 I610W544-N591 PolarHBondContact NE1-OD1 2.95Å; I589-N591 PolarHBondContact O-N 3.19Å; N591-L609 WeakPolarHBondContact O-CB 3.25Å; N591-L609 PolarHBondContact O-N 3.44Å; N591-I610 HydrophobicContact CB-CG1 4.01Å
592N93.1Very high90.4Very high18 Ų1834.3 Ų34.310%0.09617%0.167CC..EExtended strand (participates in β ladder)trans-109.8122.7178.3-66.3-74.3000110I589 H607 W680 Q685I589-N592 HydrophobicContact CG2-CB 4.37Å; I589-N592 PolarHBondContact N-O 3.34Å; I589-N592 PolarHBondContact O-N 3.3Å; N592-H607 CarbonylContact C-O 3.5Å; N592-H607 WeakPolarHBondContact CA-O 3.46Å; N592-W680 HydrophobicContact CB-CH2 4.27Å; N592-Q685 PolarHBondContact ND2-O 2.84Å
593L95.4Very high90.4Very high0 Ų032.5 Ų32.50%016%0.16CC..EExtended strand (participates in β ladder)trans-91.4121.1169.3174.875.6000108.5T542 I555 I562 L586 V588 S606 H607 L609T542-L593 HydrophobicContact CG2-CD1 4.03Å; I555-L593 HydrophobicContact CD1-CD1 4.29Å; I555-L593 HydrophobicContact CG2-CD1 4.39Å; I555-L593 HydrophobicContact CG2-CD2 4.01Å; I562-L593 HydrophobicContact CD1-CD2 4.15Å; I562-L593 HydrophobicContact CG2-CD2 4Å; L586-L593 HydrophobicContact CB-CD1 4.3Å; L586-L593 HydrophobicContact CD2-CD1 3.98Å; L586-L593 HydrophobicContact CD2-CD2 4.14Å; L586-L593 HydrophobicContact CD2-CG 4.17Å; V588-L593 HydrophobicContact CG2-CD1 3.46Å; V588-L593 VanDerWaalsContact CG2-CD1 3.46Å; L593-S606 CarbonylContact O-C 3.52Å; L593-H607 HydrophobicContact CB-CB 4.09Å; L593-H607 PolarHBondContact N-O 2.99Å; L593-H607 WeakPolarHBondContact O-CB 3.2Å; L593-H607 PolarHBondContact O-CD2 3.14Å; L593-H607 VanDerWaalsContact O-CD2 3.23Å; L593-H607 PolarHBondContact O-N 3.02Å; L593-L609 HydrophobicContact CB-CD1 4.02Å; L593-L609 HydrophobicContact CB-CD2 3.67Å; L593-L609 HydrophobicContact CB-CG 3.81Å; L593-L609 HydrophobicContact CD2-CD2 4.11Å; L593-L609 HydrophobicContact CG-CD2 4.48Å
594M95.8Very high90.4Very high1 Ų132.5 Ų32.51%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-89.2134.9169.2-52.4-52.7-59.500108.3W585 L586 Y587 I589 Y605 I645 L667 F687W585-M594 HydrophobicContact CH2-CB 4.26Å; W585-M594 HydrophobicContact CZ3-CB 3.8Å; L586-M594 CarbonylContact C-O 3.48Å; L586-M594 WeakPolarHBondContact CA-O 3.4Å; Y587-M594 HydrophobicContact CD1-CG 4.43Å; Y587-M594 PolarHBondContact N-O 3.45Å; Y587-M594 PolarHBondContact O-N 3.16Å; I589-M594 HydrophobicContact CG2-CG 4.43Å; M594-Y605 WeakPolarHBondContact CA-O 3.49Å; M594-I645 HydrophobicContact CE-CD1 3.22Å; M594-I645 HydrophobicContact CE-CG1 4.3Å; M594-L667 HydrophobicContact CE-CD1 4.16Å; M594-L667 HydrophobicContact CG-CD1 4.42Å; M594-F687 HydrophobicContact CE-CD2 3.82Å; M594-F687 HydrophobicContact CG-CD2 4.11Å; M594-F687 HydrophobicContact CG-CE2 3.89Å; M594-F687 HydrophobicContact SD-CD2 3.83Å; M594-F687 HydrophobicContact SD-CE2 4.16Å
595S95.7Very high90.4Very high0 Ų031 Ų310%015%0.15CC..EExtended strand (participates in β ladder)trans-134.3144.9175.4820000112.1W585 S597 L604 Y605 H607W585-S595 CarbonylContact O-C 3.48Å; W585-S595 VanDerWaalsContact O-CA 3.32Å; W585-S595 WeakPolarHBondContact O-CA 3.43Å; S595-S597 PolarHBondContact OG-OG 3.24Å; S595-L604 CarbonylContact O-C 3.54Å; S595-L604 WeakPolarHBondContact O-CA 3.34Å; S595-Y605 PolarHBondContact N-O 3.04Å; S595-Y605 PolarHBondContact O-N 3.4Å; S595-H607 WeakPolarHBondContact CB-NE2 3.36Å; S595-H607 PolarHBondContact OG-NE2 3.1Å
596L95.3Very high90.3Very high1 Ų129.6 Ų29.61%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-95.6104.4161.5-172.363.3000107.7C583 T584 W585 F602 L604 C651C583-L596 WeakPolarHBondContact CA-O 3.28Å; T584-L596 PolarHBondContact N-O 3.1Å; W585-L596 HydrophobicContact CB-CB 3.82Å; W585-L596 HydrophobicContact CE3-CB 4.49Å; W585-L596 PolarHBondContact O-N 3.4Å; L596-F602 HydrophobicContact CD1-CB 4.38Å; L596-F602 HydrophobicContact CG-CD1 4.27Å; L596-L604 HydrophobicContact CD1-CD2 4.43Å; L596-L604 HydrophobicContact CD1-CG 4.3Å; L596-C651 HydrophobicContact CD1-CB 3.94Å; L596-C651 WeakPolarHBondContact CD1-O 3.45Å
597S91.8Very high90.1Very high0 Ų028.9 Ų28.90%014%0.143CC..EExtended strand (participates in β ladder)trans-123.5149.3-172.2-66.20000112.3K582 S595 Q603K582-S597 CarbonylContact O-C 3.56Å; K582-S597 WeakPolarHBondContact O-CA 3.14Å; S595-S597 PolarHBondContact OG-OG 3.24Å; S597-Q603 PolarHBondContact N-O 3.42Å; S597-Q603 PolarHBondContact O-N 3.23Å; S597-Q603 VanDerWaalsContact O-N 3.11Å
598V84.1Confident89.9Confident42 Ų4230.1 Ų30.126%0.25515%0.152SC..EExtended strand (participates in β ladder)trans-86.9122.1-177.9-177.30000111.2R581 K582 F602R581-V598 PolarHBondContact NH1-O 2.55Å; K582-V598 HydrophobicContact CB-CB 4.12Å; K582-V598 HydrophobicContact CB-CG2 4.04Å; K582-V598 HydrophobicContact CD-CG2 3.99Å; K582-V598 HydrophobicContact CG-CG2 3.88Å; K582-V598 PolarHBondContact O-N 3.42Å; V598-F602 HydrophobicContact CG2-CD1 3.42Å; V598-F602 VanDerWaalsContact CG2-CD1 3.42Å; V598-F602 HydrophobicContact CG2-CD2 4.3Å; V598-F602 HydrophobicContact CG2-CE1 3.12Å; V598-F602 HydrophobicContact CG2-CE2 4.04Å; V598-F602 HydrophobicContact CG2-CG 4.01Å; V598-F602 HydrophobicContact CG2-CZ 3.46Å; V598-F602 VanDerWaalsContact CG2-CZ 3.46Å
599G71.9Confident89.8Confident27 Ų2730.1 Ų30.128%0.27815%0.152SC..SBendtrans-108.5-125.1160.600000110.4S601G599-S601 PolarHBondContact N-O 3.43Å; G599-S601 PolarHBondContact O-N 2.93Å
600R72.8Confident89.6Confident208 Ų20831.3 Ų31.379%0.78516%0.158SC*.SBendtrans-67.3-25.1163.8-64.8-174.7-174.8-172.61.8112.4D310D310-R600 VanDerWaalsContact CG-NH2 3.26Å; D310-R600 IonicContact OD1-CZ 2.72Å; D310-R600 IonicContact OD1-NE 3.49Å; D310-R600 IonicContact OD1-NH2 3.64Å; D310-R600 PolarHBondContact OD1-NH2 3.38Å; D310-R600 IonicContact OD2-NH2 3.34Å; D310-R600 PolarHBondContact OD2-NH2 2.84Å
601S82.4Confident89.4Confident32 Ų3229 Ų2922%0.22415%0.149CC..SBendtrans-144.4161.7173.255.80000107.9G599 K649G599-S601 PolarHBondContact N-O 3.43Å; G599-S601 PolarHBondContact O-N 2.93Å; S601-K649 WeakPolarHBondContact OG-CE 3.37Å; S601-K649 WeakPolarHBondContact OG-CG 3.49Å
602F87.9Confident89.2Confident67 Ų6727 Ų2729%0.29414%0.138SC..EExtended strand (participates in β ladder)trans-62.7139.4168.5-72-91.5000110.5T584 L596 V598 G650 C651T584-F602 HydrophobicContact CG2-CE1 3.78Å; T584-F602 HydrophobicContact CG2-CZ 4.43Å; L596-F602 HydrophobicContact CD1-CB 4.38Å; L596-F602 HydrophobicContact CG-CD1 4.27Å; V598-F602 HydrophobicContact CG2-CD1 3.42Å; V598-F602 VanDerWaalsContact CG2-CD1 3.42Å; V598-F602 HydrophobicContact CG2-CD2 4.3Å; V598-F602 HydrophobicContact CG2-CE1 3.12Å; V598-F602 HydrophobicContact CG2-CE2 4.04Å; V598-F602 HydrophobicContact CG2-CG 4.01Å; V598-F602 HydrophobicContact CG2-CZ 3.46Å; V598-F602 VanDerWaalsContact CG2-CZ 3.46Å; F602-G650 WeakPolarHBondContact O-CA 3.45Å; F602-G650 PolarHBondContact O-N 3.19Å; F602-C651 WeakPolarHBondContact CB-O 3.48Å; F602-C651 PolarHBondContact O-N 2.76Å
603Q93.1Very high88.7Confident29 Ų2926.6 Ų26.614%0.13614%0.135CC..EExtended strand (participates in β ladder)trans-154.7152.5-179.9-170.5171.11.500110.1S597 Y605 I645 T648S597-Q603 PolarHBondContact N-O 3.42Å; S597-Q603 PolarHBondContact O-N 3.23Å; S597-Q603 VanDerWaalsContact O-N 3.11Å; Q603-Y605 HydrophobicContact CB-CE2 4.03Å; Q603-Y605 VanDerWaalsContact O-CD2 3.24Å; Q603-Y605 WeakPolarHBondContact O-CD2 3.38Å; Q603-Y605 WeakPolarHBondContact O-CE2 3.39Å; Q603-I645 PolarHBondContact NE2-O 2.68Å; Q603-T648 VanDerWaalsContact CG-OG1 3.26Å; Q603-T648 WeakPolarHBondContact CG-OG1 3.38Å
604L94.1Very high88Confident0 Ų031.7 Ų31.70%016%0.159CC..EExtended strand (participates in β ladder)trans-77.3137.4173-79164.8000111.4W585 S595 L596 I645 T648 L667W585-L604 HydrophobicContact CE3-CD2 4.35Å; W585-L604 HydrophobicContact CZ3-CD2 4.1Å; S595-L604 CarbonylContact O-C 3.54Å; S595-L604 WeakPolarHBondContact O-CA 3.34Å; L596-L604 HydrophobicContact CD1-CD2 4.43Å; L596-L604 HydrophobicContact CD1-CG 4.3Å; L604-I645 HydrophobicContact CB-CB 4.05Å; L604-I645 HydrophobicContact CB-CD1 3.59Å; L604-I645 HydrophobicContact CB-CG1 4.01Å; L604-I645 HydrophobicContact CD1-CD1 4.4Å; L604-I645 HydrophobicContact CG-CD1 4.5Å; L604-I645 PolarHBondContact O-N 3Å; L604-T648 HydrophobicContact CB-CG2 4.14Å; L604-T648 HydrophobicContact CD1-CG2 3.77Å; L604-T648 HydrophobicContact CG-CG2 4.45Å; L604-T648 PolarHBondContact N-OG1 3.13Å; L604-L667 HydrophobicContact CD1-CD2 3.58Å
605Y93.1Very high86.9Confident12 Ų1233.2 Ų33.25%0.04717%0.166CC..EExtended strand (participates in β ladder)trans-124148.9174.2-68.8-103.4000110M594 S595 Q603 H607 T642 T643 K644M594-Y605 WeakPolarHBondContact CA-O 3.49Å; S595-Y605 PolarHBondContact N-O 3.04Å; S595-Y605 PolarHBondContact O-N 3.4Å; Q603-Y605 HydrophobicContact CB-CE2 4.03Å; Q603-Y605 VanDerWaalsContact O-CD2 3.24Å; Q603-Y605 WeakPolarHBondContact O-CD2 3.38Å; Q603-Y605 WeakPolarHBondContact O-CE2 3.39Å; Y605-H607 WeakPolarHBondContact CB-NE2 3.28Å; Y605-T642 HydrophobicContact CD1-CG2 3.69Å; Y605-T642 HydrophobicContact CG-CG2 4.45Å; Y605-T643 CarbonylContact C-O 3.51Å; Y605-T643 WeakPolarHBondContact CA-O 3.23Å; Y605-K644 HydrophobicContact CD1-CG 3.79Å; Y605-K644 HydrophobicContact CE1-CB 4.37Å; Y605-K644 HydrophobicContact CE1-CD 4.17Å; Y605-K644 HydrophobicContact CE1-CG 3.22Å; Y605-K644 HydrophobicContact CE2-CG 4.5Å; Y605-K644 WeakPolarHBondContact OH-CE 3.42Å
606S92.8Very high85.5Confident18 Ų1835 Ų3513%0.12618%0.176CC..EExtended strand (participates in β ladder)trans-113.2129.8167.5178.20000109.1L593 T642 T643L593-S606 CarbonylContact O-C 3.52Å; S606-T642 CarbonylContact O-C 3.57Å; S606-T642 VanDerWaalsContact O-CA 3.29Å; S606-T642 WeakPolarHBondContact O-CA 3.16Å; S606-T643 PolarHBondContact N-O 2.83Å; S606-T643 PolarHBondContact O-N 3.07Å
607H92.7Very high84.1Confident0 Ų041.6 Ų41.60%020%0.204CC..EExtended strand (participates in β ladder)trans-120.9121.4-175.8-55.9-89.2000109.7F579 N592 L593 S595 Y605 L609 L612 L641 T642F579-H607 AromaticContact CD1-CE1 3.6Å; F579-H607 AromaticContact CE1-CE1 3.66Å; F579-H607 AromaticContact CG-CE1 3.82Å; F579-H607 AromaticContact CZ-CE1 3.98Å; N592-H607 CarbonylContact C-O 3.5Å; N592-H607 WeakPolarHBondContact CA-O 3.46Å; L593-H607 HydrophobicContact CB-CB 4.09Å; L593-H607 PolarHBondContact N-O 2.99Å; L593-H607 WeakPolarHBondContact O-CB 3.2Å; L593-H607 PolarHBondContact O-CD2 3.14Å; L593-H607 VanDerWaalsContact O-CD2 3.23Å; L593-H607 PolarHBondContact O-N 3.02Å; S595-H607 WeakPolarHBondContact CB-NE2 3.36Å; S595-H607 PolarHBondContact OG-NE2 3.1Å; Y605-H607 WeakPolarHBondContact CB-NE2 3.28Å; H607-L609 PolarHBondContact O-N 3.04Å; H607-L612 HydrophobicContact CB-CD1 3.78Å; H607-L641 CarbonylContact C-O 3.58Å; H607-L641 VanDerWaalsContact CA-O 3.31Å; H607-L641 WeakPolarHBondContact CA-O 3.38Å; H607-T642 WeakPolarHBondContact CE1-CG2 3.46Å; H607-T642 WeakPolarHBondContact ND1-CG2 3.36Å; H607-T642 PolarHBondContact ND1-OG1 2.65Å
608N89.9Confident82.6Confident65 Ų6547.5 Ų47.535%0.34823%0.23SC..EExtended strand (participates in β ladder)trans-75.9105.1171.4-178.5-33000108.9I610 G611 L612 L641N608-I610 PolarHBondContact OD1-N 3.29Å; N608-G611 PolarHBondContact O-N 3.13Å; N608-G611 PolarHBondContact OD1-N 3.06Å; N608-L612 WeakPolarHBondContact O-CG 3.32Å; N608-L612 PolarHBondContact O-N 2.88Å; N608-L641 PolarHBondContact N-O 3.01Å
609L91.2Very high80.3Confident0 Ų051.3 Ų51.30%026%0.256CS..Hα-helixtrans-63.1-44.9-175.4-71.4173000111.7W544 I555 L578 V588 N591 L593 H607 G611 L612 F613W544-L609 HydrophobicContact CB-CD1 4.18Å; W544-L609 HydrophobicContact CD2-CB 4.31Å; W544-L609 HydrophobicContact CD2-CD1 3.5Å; W544-L609 HydrophobicContact CD2-CG 4.47Å; W544-L609 HydrophobicContact CE3-CB 4.39Å; W544-L609 HydrophobicContact CE3-CD1 4.08Å; W544-L609 HydrophobicContact CG-CD1 3.53Å; W544-L609 HydrophobicContact CH2-CB 3.84Å; W544-L609 HydrophobicContact CZ2-CB 3.74Å; W544-L609 HydrophobicContact CZ2-CD1 4.27Å; W544-L609 HydrophobicContact CZ3-CB 4.17Å; I555-L609 HydrophobicContact CD1-CD1 4.2Å; I555-L609 HydrophobicContact CD1-CD2 3.98Å; L578-L609 HydrophobicContact CD2-CD2 3.86Å; V588-L609 HydrophobicContact CG1-CD1 4.2Å; V588-L609 HydrophobicContact CG2-CD1 4.44Å; N591-L609 WeakPolarHBondContact O-CB 3.25Å; N591-L609 PolarHBondContact O-N 3.44Å; L593-L609 HydrophobicContact CB-CD1 4.02Å; L593-L609 HydrophobicContact CB-CD2 3.67Å; L593-L609 HydrophobicContact CB-CG 3.81Å; L593-L609 HydrophobicContact CD2-CD2 4.11Å; L593-L609 HydrophobicContact CG-CD2 4.48Å; H607-L609 PolarHBondContact O-N 3.04Å; L609-G611 PolarHBondContact O-N 2.98Å; L609-L612 PolarHBondContact O-N 2.86Å; L609-F613 HydrophobicContact CD2-CE2 4.45Å; L609-F613 WeakPolarHBondContact O-CB 3.12Å; L609-F613 VanDerWaalsContact O-CD2 3.26Å; L609-F613 WeakPolarHBondContact O-CD2 3.5Å; L609-F613 PolarHBondContact O-N 2.87Å
610I89.4Confident79Confident26 Ų2652.6 Ų52.613%0.13327%0.269CS..Hα-helixtrans-56.9-51.6-179.8-57-64.1000110.7W544 P547 N591 N608 L612 F613 E614W544-I610 HydrophobicContact CH2-CD1 3.82Å; W544-I610 HydrophobicContact CZ2-CD1 3.63Å; W544-I610 HydrophobicContact CZ2-CG1 4.42Å; P547-I610 VanDerWaalsContact CD-CD1 3.44Å; P547-I610 HydrophobicContact CG-CD1 3.39Å; P547-I610 HydrophobicContact CG-CG1 4.39Å; N591-I610 HydrophobicContact CB-CG1 4.01Å; N608-I610 PolarHBondContact OD1-N 3.29Å; I610-L612 VanDerWaalsContact C-N 3.33Å; I610-L612 PolarHBondContact O-N 2.81Å; I610-F613 PolarHBondContact O-N 3.08Å; I610-E614 HydrophobicContact CG2-CG 4.41Å; I610-E614 WeakPolarHBondContact O-CG 3.22Å; I610-E614 PolarHBondContact O-N 3.22Å
611G84.8Confident77.5Confident11 Ų1149 Ų4911%0.11327%0.265CS..Hα-helixtrans-66.8-33.8-178.500000113.1N608 L609 Q615N608-G611 PolarHBondContact O-N 3.13Å; N608-G611 PolarHBondContact OD1-N 3.06Å; L609-G611 PolarHBondContact O-N 2.98Å; G611-Q615 WeakPolarHBondContact O-CB 3.5Å; G611-Q615 PolarHBondContact O-N 2.85Å
612L85.3Confident75.4Confident10 Ų1050.1 Ų50.15%0.05228%0.276CS..Hα-helixtrans-67.3-40.8173.8-71.8171.7000112L578 H607 N608 L609 I610 Q615 L616 L641L578-L612 HydrophobicContact CD1-CB 3.69Å; L578-L612 HydrophobicContact CD1-CD1 4.45Å; L578-L612 HydrophobicContact CD2-CD1 4.1Å; L578-L612 HydrophobicContact CG-CB 4.23Å; L578-L612 HydrophobicContact CG-CD1 4.07Å; H607-L612 HydrophobicContact CB-CD1 3.78Å; N608-L612 WeakPolarHBondContact O-CG 3.32Å; N608-L612 PolarHBondContact O-N 2.88Å; L609-L612 PolarHBondContact O-N 2.86Å; I610-L612 VanDerWaalsContact C-N 3.33Å; I610-L612 PolarHBondContact O-N 2.81Å; L612-Q615 WeakPolarHBondContact O-CB 2.98Å; L612-Q615 PolarHBondContact O-N 2.88Å; L612-L616 WeakPolarHBondContact O-CG 3.5Å; L612-L616 PolarHBondContact O-N 2.74Å; L612-L616 VanDerWaalsContact O-N 3.09Å; L612-L641 HydrophobicContact CD2-CB 3.86Å; L612-L641 HydrophobicContact CD2-CD1 4.05Å; L612-L641 HydrophobicContact CG-CB 4.14Å
613F83.9Confident73.1Confident9 Ų947.5 Ų47.54%0.03927%0.267CS..Hα-helixtrans-69.1-40176.4-89.2-100.9000112.6W544 Y553 T564 L578 L609 I610 Q615 L616 K617W544-F613 HydrophobicContact CE3-CE2 4.1Å; W544-F613 HydrophobicContact CE3-CZ 4.33Å; W544-F613 HydrophobicContact CH2-CD2 4.29Å; W544-F613 HydrophobicContact CZ3-CD1 4.49Å; W544-F613 AromaticContact CZ3-CD2 3.76Å; W544-F613 HydrophobicContact CZ3-CD2 3.76Å; W544-F613 HydrophobicContact CZ3-CE1 4.37Å; W544-F613 AromaticContact CZ3-CE2 3.6Å; W544-F613 HydrophobicContact CZ3-CE2 3.6Å; W544-F613 HydrophobicContact CZ3-CG 4.19Å; W544-F613 AromaticContact CZ3-CZ 3.93Å; W544-F613 HydrophobicContact CZ3-CZ 3.93Å; Y553-F613 AromaticContact CD1-CE1 3.78Å; Y553-F613 HydrophobicContact CD1-CE1 3.78Å; Y553-F613 AromaticContact CD1-CZ 3.81Å; Y553-F613 HydrophobicContact CD1-CZ 3.81Å; Y553-F613 HydrophobicContact CD2-CE1 4.43Å; Y553-F613 HydrophobicContact CD2-CZ 4.43Å; Y553-F613 HydrophobicContact CE1-CD1 4.48Å; Y553-F613 AromaticContact CE1-CE1 3.42Å; Y553-F613 HydrophobicContact CE1-CE1 3.42Å; Y553-F613 VanDerWaalsContact CE1-CE1 3.42Å; Y553-F613 AromaticContact CE1-CZ 3.96Å; Y553-F613 HydrophobicContact CE1-CZ 3.96Å; Y553-F613 HydrophobicContact CE2-CE1 4.12Å; Y553-F613 HydrophobicContact CG-CE1 4.28Å; Y553-F613 HydrophobicContact CG-CZ 4.07Å; Y553-F613 AromaticContact CZ-CE1 3.62Å; T564-F613 HydrophobicContact CG2-CE2 4.25Å; T564-F613 HydrophobicContact CG2-CZ 3.96Å; L578-F613 HydrophobicContact CD1-CD2 4.1Å; L578-F613 HydrophobicContact CD1-CE2 4.07Å; L578-F613 HydrophobicContact CD2-CE2 4.4Å; L609-F613 HydrophobicContact CD2-CE2 4.45Å; L609-F613 WeakPolarHBondContact O-CB 3.12Å; L609-F613 VanDerWaalsContact O-CD2 3.26Å; L609-F613 WeakPolarHBondContact O-CD2 3.5Å; L609-F613 PolarHBondContact O-N 2.87Å; I610-F613 PolarHBondContact O-N 3.08Å; F613-Q615 VanDerWaalsContact C-N 3.27Å; F613-Q615 PolarHBondContact O-N 2.59Å; F613-L616 WeakPolarHBondContact O-CB 3.37Å; F613-L616 PolarHBondContact O-N 2.87Å; F613-L616 VanDerWaalsContact O-N 3.13Å; F613-K617 PolarHBondContact O-N 3.06Å
614E79.3Confident70.4Confident108 Ų10852.4 Ų52.451%0.50529%0.289SS..Hα-helixtrans-61.2-37.7172.1-75.3-179.8178.200111.7I610 L616 K617 K618I610-E614 HydrophobicContact CG2-CG 4.41Å; I610-E614 WeakPolarHBondContact O-CG 3.22Å; I610-E614 PolarHBondContact O-N 3.22Å; E614-L616 VanDerWaalsContact C-N 3.3Å; E614-L616 PolarHBondContact O-N 3.46Å; E614-K617 PolarHBondContact O-N 3.3Å; E614-K618 PolarHBondContact O-N 3.08Å
615Q72.4Confident67.9Low33 Ų3357.6 Ų57.615%0.15431%0.312CS..Hα-helixtrans-66.6-31.3174.8-174.8175.110.200112.7R318 G611 L612 F613 F625 L641R318-Q615 PolarHBondContact NH2-O 3.26Å; G611-Q615 WeakPolarHBondContact O-CB 3.5Å; G611-Q615 PolarHBondContact O-N 2.85Å; L612-Q615 WeakPolarHBondContact O-CB 2.98Å; L612-Q615 PolarHBondContact O-N 2.88Å; F613-Q615 VanDerWaalsContact C-N 3.27Å; F613-Q615 PolarHBondContact O-N 2.59Å; Q615-F625 PolarHBondContact NE2-O 3.33Å; Q615-L641 HydrophobicContact CB-CD1 4.31Å
616L68Low65.6Low37 Ų3759 Ų5919%0.19432%0.319CS..Hα-helixtrans-66.2-38.2173.9-73.5170.6000111.5R318 L578 L612 F613 E614 K618R318-L616 PolarHBondContact NH1-O 3.08Å; L578-L616 HydrophobicContact CD1-CD1 3.67Å; L612-L616 WeakPolarHBondContact O-CG 3.5Å; L612-L616 PolarHBondContact O-N 2.74Å; L612-L616 VanDerWaalsContact O-N 3.09Å; F613-L616 WeakPolarHBondContact O-CB 3.37Å; F613-L616 PolarHBondContact O-N 2.87Å; F613-L616 VanDerWaalsContact O-N 3.13Å; E614-L616 VanDerWaalsContact C-N 3.3Å; E614-L616 PolarHBondContact O-N 3.46Å; L616-K618 PolarHBondContact O-N 3.22Å
617K65.9Low63Low139 Ų13959.9 Ų59.960%0.60432%0.324SS*.Hα-helixtrans-76.6-14.7-177.1-68-178179.9-179.40115.4F613 E614 P619F613-K617 PolarHBondContact O-N 3.06Å; E614-K617 PolarHBondContact O-N 3.3Å; K617-P619 WeakPolarHBondContact O-CD 3.36Å
618K58.5Low60.7Low124 Ų12462.5 Ų62.554%0.53934%0.336SS..  trans-78.5120.8179.6-72.2-178.7-177.3-178.90111.6E614 L616 A623E614-K618 PolarHBondContact O-N 3.08Å; L616-K618 PolarHBondContact O-N 3.22Å; K618-A623 WeakPolarHBondContact O-CB 3.13Å
619P37.4Very low58.2Low123 Ų12365.1 Ų65.180%0.79934%0.341SS*.  trans-77.4152.1175.529.3-32000112.8K617K617-P619 WeakPolarHBondContact O-CD 3.36Å
620G45Very low55.6Low54 Ų5469.1 Ų69.156%0.55736%0.359SS*.SBendtrans95.6-164.5169.600000116.6A622 A623G620-A622 PolarHBondContact O-N 3.03Å; G620-A623 WeakPolarHBondContact O-CB 3.34Å; G620-A623 PolarHBondContact O-N 2.95Å
621L39.3Very low52.9Low132 Ų13270.8 Ų70.869%0.69137%0.371SS*.G310 helixtrans-58.5-24.8179.3-87.6117.2000113.4A623 Q624 F625L621-A623 PolarHBondContact O-N 2.82Å; L621-Q624 WeakPolarHBondContact O-CB 3.3Å; L621-Q624 PolarHBondContact O-N 3.42Å; L621-F625 VanDerWaalsContact O-CD2 3.3Å; L621-F625 WeakPolarHBondContact O-CD2 3.22Å
622A40.2Very low50.6Low55 Ų5574.1 Ų74.146%0.45539%0.386SS..G310 helixtrans-59.7-28.317200000113G620 Q624G620-A622 PolarHBondContact O-N 3.03Å; A622-Q624 VanDerWaalsContact C-N 3.28Å; A622-Q624 PolarHBondContact O-N 2.96Å
623A38.5Very low48.3Very low13 Ų1383.1 Ų83.111%0.10743%0.425CS..G310 helixtrans-71.5-22174.700000112.7R318 K618 G620 L621R318-A623 VanDerWaalsContact NH2-CA 3.34Å; R318-A623 VanDerWaalsContact NH2-CB 3.32Å; R318-A623 PolarHBondContact NH2-O 2.84Å; K618-A623 WeakPolarHBondContact O-CB 3.13Å; G620-A623 WeakPolarHBondContact O-CB 3.34Å; G620-A623 PolarHBondContact O-N 2.95Å; L621-A623 PolarHBondContact O-N 2.82Å
624Q37.6Very low46.2Very low131 Ų13186.8 Ų86.861%0.61244%0.444SS*.G310 helixtrans-89-12.8-178-65.3-179.3-33.300113.4L621 A622 Q626L621-Q624 WeakPolarHBondContact O-CB 3.3Å; L621-Q624 PolarHBondContact O-N 3.42Å; A622-Q624 VanDerWaalsContact C-N 3.28Å; A622-Q624 PolarHBondContact O-N 2.96Å; Q624-Q626 VanDerWaalsContact C-N 3.25Å; Q624-Q626 PolarHBondContact O-N 3.09Å
625F40.6Very low44.1Very low110 Ų11083.6 Ų83.648%0.48243%0.43SS..  trans-73.679.5173.8-76.7-83.3000110.8Q615 L621 T627Q615-F625 PolarHBondContact NE2-O 3.33Å; L621-F625 VanDerWaalsContact O-CD2 3.3Å; L621-F625 WeakPolarHBondContact O-CD2 3.22Å; F625-T627 PolarHBondContact O-N 3.37Å
626Q43.9Very low42.5Very low40 Ų4083.4 Ų83.419%0.18743%0.432CS..  trans-68.3100.5174.4-73.7-175-0.300109.5Q624 H628 R629Q624-Q626 VanDerWaalsContact C-N 3.25Å; Q624-Q626 PolarHBondContact O-N 3.09Å; Q626-H628 VanDerWaalsContact CB-CE1 3.43Å; Q626-H628 WeakPolarHBondContact CB-CE1 3.49Å; Q626-H628 PolarHBondContact O-N 3.12Å; Q626-H628 PolarHBondContact OE1-CE1 3.39Å; Q626-H628 PolarHBondContact OE1-NE2 2.91Å; Q626-R629 HydrophobicContact CB-CB 4.48Å; Q626-R629 HydrophobicContact CB-CG 3.82Å; Q626-R629 WeakPolarHBondContact O-CB 3.43Å; Q626-R629 PolarHBondContact O-N 2.96Å
627T39.8Very low41.2Very low37 Ų3785.9 Ų85.923%0.22744%0.439CS..G310 helixtrans-59.4-20.7-179.651.90000113.1F625 R629F625-T627 PolarHBondContact O-N 3.37Å; T627-R629 PolarHBondContact O-N 2.97Å
628H44.8Very low40Very low55 Ų5584 Ų8426%0.25543%0.428SS..G310 helixtrans-74-817471.7-103000114.8F579 Q626F579-H628 HydrophobicContact CE2-CB 3.88Å; Q626-H628 VanDerWaalsContact CB-CE1 3.43Å; Q626-H628 WeakPolarHBondContact CB-CE1 3.49Å; Q626-H628 PolarHBondContact O-N 3.12Å; Q626-H628 PolarHBondContact OE1-CE1 3.39Å; Q626-H628 PolarHBondContact OE1-NE2 2.91Å
629R36.1Very low39.2Very low120 Ų12081.2 Ų81.245%0.45342%0.416SS..G310 helixtrans-89.2-7.8177.4-69.7-172.6-176.31740.4113.7V314 Q626 T627V314-R629 PolarHBondContact O-NH2 2.81Å; Q626-R629 HydrophobicContact CB-CB 4.48Å; Q626-R629 HydrophobicContact CB-CG 3.82Å; Q626-R629 WeakPolarHBondContact O-CB 3.43Å; Q626-R629 PolarHBondContact O-N 2.96Å; T627-R629 PolarHBondContact O-N 2.97Å
630F36Very low40.4Very low85 Ų8576.4 Ų76.437%0.37339%0.386SS..SBendtrans-88.8134177.3-66.2-79.7000110.3L635F630-L635 HydrophobicContact CB-CB 4.48Å; F630-L635 HydrophobicContact CD2-CD1 4.49Å
631P34.4Very low42Very low61 Ų6175.4 Ų75.440%0.39637%0.368SS..  trans-53.1143.5170.1-23.831.6000111K633 I634P631-K633 PolarHBondContact O-N 3.27Å; P631-I634 HydrophobicContact CB-CD1 4.4Å; P631-I634 HydrophobicContact CB-CG1 4.39Å; P631-I634 HydrophobicContact CG-CD1 3.92Å; P631-I634 HydrophobicContact CG-CG1 4.44Å; P631-I634 PolarHBondContact O-N 3.36Å
632D36.5Very low44.3Very low81 Ų8170 Ų7043%0.43334%0.34SS..THydrogen-bonded Turntrans-53.6-7.8177.7-70.3-56.5000114.1K644D632-K644 IonicContact OD2-NZ 2.76Å; D632-K644 PolarHBondContact OD2-NZ 3.15Å
633K36.7Very low46.4Very low199 Ų19968.3 Ų68.387%0.86533%0.325SS*.THydrogen-bonded Turntrans-93.4-19.9178.4-67.1-179.5179.7175.20114.6P631P631-K633 PolarHBondContact O-N 3.27Å
634I39.8Very low48.7Very low85 Ų8571.3 Ų71.344%0.43634%0.335SS..THydrogen-bonded Turntrans-102.1-35.7-171.9-53.9179.6000111.3V306 P631V306-I634 HydrophobicContact CG1-CD1 3.44Å; V306-I634 VanDerWaalsContact CG1-CD1 3.44Å; P631-I634 HydrophobicContact CB-CD1 4.4Å; P631-I634 HydrophobicContact CB-CG1 4.39Å; P631-I634 HydrophobicContact CG-CD1 3.92Å; P631-I634 HydrophobicContact CG-CG1 4.44Å; P631-I634 PolarHBondContact O-N 3.36Å
635L33.8Very low51.2Low42 Ų4265.8 Ų65.822%0.2231%0.31CS..SBendtrans-94.6123.2171.8-141.886000109F630 R637 F639 A640F630-L635 HydrophobicContact CB-CB 4.48Å; F630-L635 HydrophobicContact CD2-CD1 4.49Å; L635-R637 PolarHBondContact O-N 3.02Å; L635-F639 HydrophobicContact CD2-CB 3.9Å; L635-F639 HydrophobicContact CG-CB 4.18Å; L635-A640 HydrophobicContact CD2-CB 4.19Å
636P39.3Very low53.2Low28 Ų2863.3 Ų63.318%0.18231%0.305CS..  trans-53.3132.4169.8-23.532.2000109.8L214 R638 F639L214-P636 HydrophobicContact CB-CB 4.29Å; L214-P636 HydrophobicContact CD1-CB 3.65Å; L214-P636 HydrophobicContact CD1-CG 3.28Å; L214-P636 HydrophobicContact CD2-CG 4.44Å; L214-P636 HydrophobicContact CG-CB 4.42Å; L214-P636 HydrophobicContact CG-CG 4.32Å; P636-R638 PolarHBondContact O-N 2.76Å; P636-F639 HydrophobicContact CB-CD2 3.58Å; P636-F639 HydrophobicContact CB-CE2 3.58Å; P636-F639 HydrophobicContact CG-CD2 3.64Å; P636-F639 HydrophobicContact CG-CE2 3.75Å; P636-F639 PolarHBondContact O-N 3.4Å
637R41.2Very low55.1Low90 Ų9066.3 Ų66.334%0.3432%0.322SS..THydrogen-bonded Turntrans-53.9-4.8-178.5-71.6-176177.1166.70.6115.3D220 L635 R686D220-R637 IonicContact OD1-NH1 3.01Å; D220-R637 PolarHBondContact OD1-NH1 3.23Å; D220-R637 IonicContact OD2-CZ 3.99Å; D220-R637 IonicContact OD2-NH1 2.67Å; D220-R637 PolarHBondContact OD2-NH1 3.24Å; L635-R637 PolarHBondContact O-N 3.02Å; R637-R686 PolarHBondContact O-NH2 3.35Å; R637-R686 VanDerWaalsContact O-NH2 3.12Å
638R40Very low57.6Low99 Ų9964.6 Ų64.637%0.37431%0.311SS..THydrogen-bonded Turntrans-96.4-17.5178.1-155157.1169.4-157.1-11.1113.9H107 P636H107-R638 PolarHBondContact CE1-NH1 2.88Å; H107-R638 WeakPolarHBondContact NE2-CD 3.36Å; H107-R638 WeakPolarHBondContact NE2-CG 3.41Å; H107-R638 PolarHBondContact NE2-NE 2.89Å; H107-R638 PolarHBondContact NE2-NH1 2.85Å; P636-R638 PolarHBondContact O-N 2.76Å
639F43.1Very low59.7Low65 Ų6569 Ų6929%0.28533%0.33SS..THydrogen-bonded Turntrans-96.8-10.2172.1-57.3-59.3000114.1H107 L635 P636 L641H107-F639 HydrophobicContact CB-CE1 3.37Å; H107-F639 HydrophobicContact CB-CE2 4.46Å; H107-F639 HydrophobicContact CB-CZ 3.3Å; H107-F639 AromaticContact CD2-CE1 3.36Å; H107-F639 WeakPolarHBondContact CD2-CE1 3.43Å; H107-F639 AromaticContact CD2-CZ 3.26Å; H107-F639 WeakPolarHBondContact CD2-CZ 3.43Å; H107-F639 AromaticContact CG-CE1 3.59Å; H107-F639 AromaticContact CG-CZ 3.28Å; H107-F639 WeakPolarHBondContact O-CD1 3.19Å; H107-F639 WeakPolarHBondContact O-CE1 3.38Å; H107-F639 WeakPolarHBondContact O-CE2 3.23Å; H107-F639 WeakPolarHBondContact O-CZ 3.39Å; L635-F639 HydrophobicContact CD2-CB 3.9Å; L635-F639 HydrophobicContact CG-CB 4.18Å; P636-F639 HydrophobicContact CB-CD2 3.58Å; P636-F639 HydrophobicContact CB-CE2 3.58Å; P636-F639 HydrophobicContact CG-CD2 3.64Å; P636-F639 HydrophobicContact CG-CE2 3.75Å; P636-F639 PolarHBondContact O-N 3.4Å; F639-L641 PolarHBondContact O-N 2.83Å
640A61.9Low62.2Low22 Ų2264.7 Ų64.718%0.18232%0.323CS..  trans-69.4105.817900000108.8L635 T642 T643L635-A640 HydrophobicContact CD2-CB 4.19Å; A640-T642 WeakPolarHBondContact CB-O 3.46Å; A640-T642 PolarHBondContact O-N 3.03Å; A640-T642 VanDerWaalsContact O-N 3.09Å; A640-T643 PolarHBondContact O-OG1 3.15Å
641L79.4Confident64.9Low33 Ų3360.7 Ų60.717%0.17331%0.305CS..SBendtrans-55.7-23.4170.2-65-178.3000111.6H607 N608 L612 Q615 F639H607-L641 CarbonylContact C-O 3.58Å; H607-L641 VanDerWaalsContact CA-O 3.31Å; H607-L641 WeakPolarHBondContact CA-O 3.38Å; N608-L641 PolarHBondContact N-O 3.01Å; L612-L641 HydrophobicContact CD2-CB 3.86Å; L612-L641 HydrophobicContact CD2-CD1 4.05Å; L612-L641 HydrophobicContact CG-CB 4.14Å; Q615-L641 HydrophobicContact CB-CD1 4.31Å; F639-L641 PolarHBondContact O-N 2.83Å
642T85.9Confident67.6Low18 Ų1861.8 Ų61.811%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-131121.1172.9-65.70000109F579 Y605 S606 H607 A640F579-T642 HydrophobicContact CE2-CG2 3.83Å; F579-T642 HydrophobicContact CZ-CG2 3.89Å; Y605-T642 HydrophobicContact CD1-CG2 3.69Å; Y605-T642 HydrophobicContact CG-CG2 4.45Å; S606-T642 CarbonylContact O-C 3.57Å; S606-T642 VanDerWaalsContact O-CA 3.29Å; S606-T642 WeakPolarHBondContact O-CA 3.16Å; H607-T642 WeakPolarHBondContact CE1-CG2 3.46Å; H607-T642 WeakPolarHBondContact ND1-CG2 3.36Å; H607-T642 PolarHBondContact ND1-OG1 2.65Å; A640-T642 WeakPolarHBondContact CB-O 3.46Å; A640-T642 PolarHBondContact O-N 3.03Å; A640-T642 VanDerWaalsContact O-N 3.09Å
643T84.5Confident70.3Confident21 Ų2160.7 Ų60.713%0.12930%0.297CS..EExtended strand (participates in β ladder)trans-121.4134-178.6-54.90000110.4Y605 S606 A640Y605-T643 CarbonylContact C-O 3.51Å; Y605-T643 WeakPolarHBondContact CA-O 3.23Å; S606-T643 PolarHBondContact N-O 2.83Å; S606-T643 PolarHBondContact O-N 3.07Å; A640-T643 PolarHBondContact O-OG1 3.15Å
644K88Confident73Confident75 Ų7551.7 Ų51.733%0.32626%0.259SS..EExtended strand (participates in β ladder)trans-69.5135.8169.7-70.8172-164.6155.20110.3Y605 D632 P646Y605-K644 HydrophobicContact CD1-CG 3.79Å; Y605-K644 HydrophobicContact CE1-CB 4.37Å; Y605-K644 HydrophobicContact CE1-CD 4.17Å; Y605-K644 HydrophobicContact CE1-CG 3.22Å; Y605-K644 HydrophobicContact CE2-CG 4.5Å; Y605-K644 WeakPolarHBondContact OH-CE 3.42Å; D632-K644 IonicContact OD2-NZ 2.76Å; D632-K644 PolarHBondContact OD2-NZ 3.15Å; K644-P646 WeakPolarHBondContact O-CD 3.47Å
645I88.5Confident75.6Confident16 Ų1647.9 Ų47.98%0.08224%0.239CC..PPolyproline II helixtrans-79.6123171.7-53.9-178.2000108.4M594 Q603 L604 T648 L678M594-I645 HydrophobicContact CE-CD1 3.22Å; M594-I645 HydrophobicContact CE-CG1 4.3Å; Q603-I645 PolarHBondContact NE2-O 2.68Å; L604-I645 HydrophobicContact CB-CB 4.05Å; L604-I645 HydrophobicContact CB-CD1 3.59Å; L604-I645 HydrophobicContact CB-CG1 4.01Å; L604-I645 HydrophobicContact CD1-CD1 4.4Å; L604-I645 HydrophobicContact CG-CD1 4.5Å; L604-I645 PolarHBondContact O-N 3Å; I645-T648 HydrophobicContact CB-CG2 3.98Å; I645-T648 HydrophobicContact CG2-CG2 3.71Å; I645-T648 PolarHBondContact O-OG1 3.31Å; I645-L678 HydrophobicContact CG2-CD2 3.57Å
646P83.1Confident78.5Confident58 Ų5847.7 Ų47.738%0.37724%0.238SC..THydrogen-bonded Turntrans-56.4155.4175.5-23.734.5000112.3K644 T648K644-P646 WeakPolarHBondContact O-CD 3.47Å; P646-T648 WeakPolarHBondContact O-CG2 3.09Å; P646-T648 PolarHBondContact O-N 3Å
647D84.1Confident81.1Confident103 Ų10347.6 Ų47.655%0.55124%0.237SC*.THydrogen-bonded Turntrans60.115173.9-48.9-45.2000115.9L689D647-L689 HydrophobicContact CB-CD2 4.12Å
648T91.7Very high83.5Confident0 Ų049.2 Ų49.20%024%0.243CC..  trans-109.715.117864.10000113.1Q603 L604 I645 P646 G650 C651 V676 L678Q603-T648 VanDerWaalsContact CG-OG1 3.26Å; Q603-T648 WeakPolarHBondContact CG-OG1 3.38Å; L604-T648 HydrophobicContact CB-CG2 4.14Å; L604-T648 HydrophobicContact CD1-CG2 3.77Å; L604-T648 HydrophobicContact CG-CG2 4.45Å; L604-T648 PolarHBondContact N-OG1 3.13Å; I645-T648 HydrophobicContact CB-CG2 3.98Å; I645-T648 HydrophobicContact CG2-CG2 3.71Å; I645-T648 PolarHBondContact O-OG1 3.31Å; P646-T648 WeakPolarHBondContact O-CG2 3.09Å; P646-T648 PolarHBondContact O-N 3Å; T648-G650 PolarHBondContact O-N 3.21Å; T648-C651 WeakPolarHBondContact O-CB 3.36Å; T648-C651 PolarHBondContact O-N 3.49Å; T648-V676 HydrophobicContact CG2-CG2 4.14Å; T648-L678 HydrophobicContact CG2-CD1 4.49Å
649K90.6Very high85.9Confident148 Ų14844.6 Ų44.664%0.64323%0.226SC*.THydrogen-bonded Turntrans-67.5130.5-178.9-170.3-174.2176.9-177.20110.2S601 C651S601-K649 WeakPolarHBondContact OG-CE 3.37Å; S601-K649 WeakPolarHBondContact OG-CG 3.49Å; K649-C651 VanDerWaalsContact C-N 3.32Å
650G88.6Confident87.9Confident30 Ų3044.1 Ų44.131%0.30923%0.229SC..THydrogen-bonded Turntrans81.812.3-176.400000113.3F602 T648 H652F602-G650 WeakPolarHBondContact O-CA 3.45Å; F602-G650 PolarHBondContact O-N 3.19Å; T648-G650 PolarHBondContact O-N 3.21Å; G650-H652 PolarHBondContact O-N 2.82Å
651C92.6Very high89Confident0 Ų045.9 Ų45.90%023%0.232CC..  trans-66.5131.3175-172.70000110.4L596 F602 T648 K649 K653 C654 A670 L671L596-C651 HydrophobicContact CD1-CB 3.94Å; L596-C651 WeakPolarHBondContact CD1-O 3.45Å; F602-C651 WeakPolarHBondContact CB-O 3.48Å; F602-C651 PolarHBondContact O-N 2.76Å; T648-C651 WeakPolarHBondContact O-CB 3.36Å; T648-C651 PolarHBondContact O-N 3.49Å; K649-C651 VanDerWaalsContact C-N 3.32Å; C651-K653 PolarHBondContact SG-O 2.9Å; C651-K653 VanDerWaalsContact SG-O 3.42Å; C651-C654 PolarHBondContact SG-SG 3.37Å; C651-A670 CarbonylContact C-O 3.58Å; C651-A670 WeakPolarHBondContact CA-O 3.49Å; C651-A670 PolarHBondContact SG-O 3.38Å; C651-A670 VanDerWaalsContact SG-O 3.33Å; C651-L671 HydrophobicContact CB-CD2 3.63Å
652H90.2Very high89.2Confident84 Ų8446.6 Ų46.639%0.38924%0.237SC..  trans-123.9-9.4-17763.279.7000113.9G650 A670G650-H652 PolarHBondContact O-N 2.82Å; H652-A670 PolarHBondContact CD2-O 3.06Å; H652-A670 PolarHBondContact N-O 3.39Å
653K92.3Very high89.2Confident59 Ų5947.4 Ų47.426%0.25725%0.25SC..EExtended strand (participates in β ladder)trans-149.4145.3174.2-159.8167.7-178.3-1730110C651 A670 L701 K702 F704C651-K653 PolarHBondContact SG-O 2.9Å; C651-K653 VanDerWaalsContact SG-O 3.42Å; K653-A670 HydrophobicContact CB-CB 4.18Å; K653-A670 PolarHBondContact O-N 2.8Å; K653-L701 HydrophobicContact CB-CD2 4.08Å; K653-L701 HydrophobicContact CD-CD2 3.9Å; K653-L701 HydrophobicContact CD-CG 4.17Å; K653-L701 PolarHBondContact NZ-O 3.04Å; K653-K702 PolarHBondContact NZ-O 2.97Å; K653-F704 HydrophobicContact CB-CD1 4.29Å; K653-F704 HydrophobicContact CD-CB 3.56Å; K653-F704 HydrophobicContact CD-CD1 4.49Å; K653-F704 HydrophobicContact CD-CG 4.28Å; K653-F704 HydrophobicContact CG-CB 4.09Å; K653-F704 HydrophobicContact CG-CD1 4.11Å; K653-F704 HydrophobicContact CG-CG 4.38Å
654C94.3Very high89.5Confident10 Ų1049.4 Ų49.47%0.06826%0.257CS..EExtended strand (participates in β ladder)trans-137.3148.5-179.3-54.80000110.6W585 C651 C668W585-C654 HydrophobicContact CD2-CB 3.82Å; W585-C654 HydrophobicContact CE3-CB 4.02Å; W585-C654 HydrophobicContact CG-CB 4.28Å; W585-C654 HydrophobicContact CH2-CB 4.31Å; W585-C654 HydrophobicContact CZ2-CB 4.14Å; W585-C654 HydrophobicContact CZ3-CB 4.26Å; W585-C654 PolarHBondContact NE1-O 2.82Å; C651-C654 PolarHBondContact SG-SG 3.37Å; C654-C668 VanDerWaalsContact CA-O 3.25Å; C654-C668 WeakPolarHBondContact CA-O 3.46Å
655C94Very high89.8Confident5 Ų547.7 Ų47.73%0.03425%0.25CC..EExtended strand (participates in β ladder)trans-141.5156.6170.362.20000110.2C668 F704 M706C655-C668 PolarHBondContact N-O 3.33Å; C655-C668 PolarHBondContact O-N 2.87Å; C655-F704 HydrophobicContact CB-CD1 4.25Å; C655-F704 VanDerWaalsContact CB-O 3.31Å; C655-F704 WeakPolarHBondContact CB-O 3.31Å; C655-F704 PolarHBondContact SG-O 3.46Å; C655-F704 VanDerWaalsContact SG-O 3.4Å; C655-M706 WeakPolarHBondContact O-CE 3.5Å
656I94.3Very high90.1Very high37 Ų3747.1 Ų47.119%0.1925%0.247CC..EExtended strand (participates in β ladder)trans-130.3142.9179.6-76.2178.9000109.5W585 Y587 Y666 L667 F687W585-I656 HydrophobicContact CH2-CD1 3.55Å; W585-I656 HydrophobicContact CH2-CG1 4.08Å; W585-I656 HydrophobicContact CZ2-CD1 3.91Å; W585-I656 HydrophobicContact CZ2-CG1 4.08Å; Y587-I656 HydrophobicContact CD1-CD1 3.07Å; Y587-I656 HydrophobicContact CD1-CG1 4.45Å; Y587-I656 HydrophobicContact CD2-CD1 4Å; Y587-I656 HydrophobicContact CE1-CD1 3.4Å; Y587-I656 HydrophobicContact CE1-CG2 3.98Å; Y587-I656 HydrophobicContact CE2-CB 4.48Å; Y587-I656 HydrophobicContact CE2-CD1 4.31Å; Y587-I656 HydrophobicContact CE2-CG2 4.07Å; Y587-I656 HydrophobicContact CG-CD1 3.38Å; I656-Y666 VanDerWaalsContact CA-O 3.26Å; I656-Y666 WeakPolarHBondContact CA-O 3.5Å; I656-L667 HydrophobicContact CD1-CB 4.19Å; I656-L667 HydrophobicContact CD1-CD1 3.92Å; I656-L667 HydrophobicContact CD1-CG 3.91Å; I656-L667 HydrophobicContact CG1-CB 3.82Å; I656-L667 HydrophobicContact CG1-CD1 4.29Å; I656-L667 HydrophobicContact CG1-CG 3.71Å; I656-F687 HydrophobicContact CD1-CE2 4.4Å; I656-F687 HydrophobicContact CD1-CZ 4.08Å
657V93.7Very high90.8Very high26 Ų2644.3 Ų44.316%0.15823%0.229CC..EExtended strand (participates in β ladder)trans-140.7142.9172.778.20000110.6K665 Y666 M706 V708 P715V657-K665 WeakPolarHBondContact O-CA 3.08Å; V657-Y666 HydrophobicContact CG1-CD2 4.4Å; V657-Y666 PolarHBondContact N-O 3.28Å; V657-Y666 PolarHBondContact O-N 2.84Å; V657-M706 HydrophobicContact CB-CB 3.93Å; V657-M706 HydrophobicContact CB-CE 4.13Å; V657-M706 HydrophobicContact CG1-CB 3.67Å; V657-M706 HydrophobicContact CG1-CE 3.86Å; V657-M706 HydrophobicContact CG1-CG 4.4Å; V657-M706 HydrophobicContact CG1-SD 3.89Å; V657-V708 HydrophobicContact CB-CG2 4.44Å; V657-V708 HydrophobicContact CG1-CG2 4.02Å; V657-V708 HydrophobicContact CG2-CG2 3.52Å; V657-P715 HydrophobicContact CG1-CB 4.14Å; V657-P715 HydrophobicContact CG1-CG 3.97Å
658R91.9Very high91.3Very high124 Ų12439.4 Ų39.447%0.46820%0.202SC..EExtended strand (participates in β ladder)trans-96.4123.7166.2-177.6-178.9179.5-140.18.4108D376 P660 H664 K665D376-R658 IonicContact OD2-NH2 3.42Å; R658-P660 VanDerWaalsContact O-CD 3.23Å; R658-P660 WeakPolarHBondContact O-CD 3.41Å; R658-H664 CarbonylContact C-O 3.55Å; R658-K665 HydrophobicContact CB-CG 4.24Å; R658-K665 HydrophobicContact CG-CG 4.1Å
659N90.1Very high91.5Very high3 Ų339.4 Ų39.42%0.01620%0.202CC..  trans-76.6111168.9179.7-26.7000108.4Y661 T662 G663 H664 Y666 V708N659-Y661 PolarHBondContact O-N 3.34Å; N659-Y661 WeakPolarHBondContact OD1-CB 3.34Å; N659-Y661 VanDerWaalsContact OD1-CD2 3.28Å; N659-Y661 WeakPolarHBondContact OD1-CD2 3.34Å; N659-Y661 PolarHBondContact OD1-N 3.19Å; N659-T662 WeakPolarHBondContact CB-OG1 2.88Å; N659-T662 PolarHBondContact ND2-OG1 3.27Å; N659-T662 PolarHBondContact O-N 3.25Å; N659-T662 PolarHBondContact OD1-N 3.06Å; N659-T662 PolarHBondContact OD1-OG1 2.96Å; N659-G663 VanDerWaalsContact O-CA 3.3Å; N659-G663 WeakPolarHBondContact O-CA 3.07Å; N659-G663 PolarHBondContact O-N 3.03Å; N659-H664 PolarHBondContact N-O 3.04Å; N659-Y666 HydrophobicContact CB-CD2 4.46Å; N659-Y666 HydrophobicContact CB-CE2 3.99Å; N659-V708 HydrophobicContact CB-CG1 4.11Å
660P85.2Confident91.7Very high55 Ų5532.4 Ų32.436%0.35717%0.172SC..THydrogen-bonded Turntrans-70.4-19.8-175.229.8-35.5000113.2W371 R658W371-P660 HydrophobicContact CH2-CB 3.83Å; W371-P660 HydrophobicContact CH2-CG 4.13Å; W371-P660 HydrophobicContact CZ3-CB 3.54Å; W371-P660 HydrophobicContact CZ3-CG 3.88Å; R658-P660 VanDerWaalsContact O-CD 3.23Å; R658-P660 WeakPolarHBondContact O-CD 3.41Å
661Y85.2Confident91.8Very high59 Ų5931.4 Ų31.423%0.23116%0.159CC..THydrogen-bonded Turntrans-82.2-30.6-179.1-45.9-62000112.7W371 N659 V708 P710 R764W371-Y661 HydrophobicContact CH2-CE1 4.19Å; N659-Y661 PolarHBondContact O-N 3.34Å; N659-Y661 WeakPolarHBondContact OD1-CB 3.34Å; N659-Y661 VanDerWaalsContact OD1-CD2 3.28Å; N659-Y661 WeakPolarHBondContact OD1-CD2 3.34Å; N659-Y661 PolarHBondContact OD1-N 3.19Å; Y661-V708 HydrophobicContact CD2-CG1 4.15Å; Y661-V708 HydrophobicContact CE2-CG1 3.97Å; Y661-P710 HydrophobicContact CD2-CB 4.27Å; Y661-P710 HydrophobicContact CE2-CB 3.85Å; Y661-P710 HydrophobicContact CE2-CG 3.75Å; Y661-R764 WeakPolarHBondContact OH-CA 3.39Å; Y661-R764 WeakPolarHBondContact OH-CB 3.41Å; Y661-R764 WeakPolarHBondContact OH-CG 3.3Å; Y661-R764 PolarHBondContact OH-NE 3.36Å
662T84.6Confident91.4Very high47 Ų4739.5 Ų39.529%0.28820%0.197SC..THydrogen-bonded Turntrans-107.7-18.8-178.860.60000113.1N659 H664N659-T662 WeakPolarHBondContact CB-OG1 2.88Å; N659-T662 PolarHBondContact ND2-OG1 3.27Å; N659-T662 PolarHBondContact O-N 3.25Å; N659-T662 PolarHBondContact OD1-N 3.06Å; N659-T662 PolarHBondContact OD1-OG1 2.96Å; T662-H664 PolarHBondContact O-N 3.04Å; T662-H664 PolarHBondContact OG1-N 2.82Å
663G86.5Confident91.1Very high36 Ų3639 Ų3937%0.37120%0.204SC..  trans76.5-5.4-170.700000113.7N659N659-G663 VanDerWaalsContact O-CA 3.3Å; N659-G663 WeakPolarHBondContact O-CA 3.07Å; N659-G663 PolarHBondContact O-N 3.03Å
664H89.1Confident91Very high62 Ų6236.2 Ų36.229%0.28719%0.191SC..  trans-67.6138.8-178.9-63.3161.3000111.2R658 N659 T662 Y666 Q679R658-H664 CarbonylContact C-O 3.55Å; N659-H664 PolarHBondContact N-O 3.04Å; T662-H664 PolarHBondContact O-N 3.04Å; T662-H664 PolarHBondContact OG1-N 2.82Å; H664-Y666 HydrophobicContact CB-CE1 4.4Å; H664-Y666 HydrophobicContact CB-CE2 3.82Å; H664-Y666 PolarHBondContact ND1-OH 3.43Å; H664-Q679 PolarHBondContact CD2-NE2 2.72Å; H664-Q679 VanDerWaalsContact CD2-NE2 3.27Å; H664-Q679 VanDerWaalsContact CG-NE2 3.27Å; H664-Q679 PolarHBondContact ND1-NE2 3.39Å; H664-Q679 PolarHBondContact NE2-NE2 2.82Å
665K94.4Very high90.9Very high40 Ų4035.8 Ų35.817%0.17419%0.188CC..EExtended strand (participates in β ladder)trans-106.7127.1173.8-60.1171.4-174.8172.20108.4I589 V657 R658 Q679 W680I589-K665 HydrophobicContact CD1-CD 3.4Å; I589-K665 VanDerWaalsContact CD1-CD 3.4Å; I589-K665 HydrophobicContact CG1-CD 4.47Å; V657-K665 WeakPolarHBondContact O-CA 3.08Å; R658-K665 HydrophobicContact CB-CG 4.24Å; R658-K665 HydrophobicContact CG-CG 4.1Å; K665-Q679 WeakPolarHBondContact O-CA 3.06Å; K665-W680 HydrophobicContact CB-CB 3.89Å; K665-W680 PolarHBondContact O-N 3.33Å
666Y96.1Very high90.9Very high3 Ų335.6 Ų35.61%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-113.6141.3-178.8-61.7-72.8000110.2I656 V657 N659 H664 L677 L678 Q679 I690 M706 E713 Y714 P715I656-Y666 VanDerWaalsContact CA-O 3.26Å; I656-Y666 WeakPolarHBondContact CA-O 3.5Å; V657-Y666 HydrophobicContact CG1-CD2 4.4Å; V657-Y666 PolarHBondContact N-O 3.28Å; V657-Y666 PolarHBondContact O-N 2.84Å; N659-Y666 HydrophobicContact CB-CD2 4.46Å; N659-Y666 HydrophobicContact CB-CE2 3.99Å; H664-Y666 HydrophobicContact CB-CE1 4.4Å; H664-Y666 HydrophobicContact CB-CE2 3.82Å; H664-Y666 PolarHBondContact ND1-OH 3.43Å; Y666-L677 HydrophobicContact CD1-CD1 4.39Å; Y666-L677 HydrophobicContact CD1-CD2 4.32Å; Y666-L677 HydrophobicContact CD1-CG 4.43Å; Y666-L677 HydrophobicContact CG-CD1 4.48Å; Y666-L678 CarbonylContact C-O 3.6Å; Y666-L678 VanDerWaalsContact CA-O 3.28Å; Y666-L678 WeakPolarHBondContact CA-O 3.2Å; Y666-Q679 HydrophobicContact CD1-CB 3.91Å; Y666-Q679 HydrophobicContact CD1-CG 4.47Å; Y666-Q679 HydrophobicContact CE1-CB 3.95Å; Y666-Q679 HydrophobicContact CE1-CG 4.23Å; Y666-I690 HydrophobicContact CD1-CD1 3.8Å; Y666-I690 HydrophobicContact CE1-CD1 3.65Å; Y666-M706 WeakPolarHBondContact O-CE 3.05Å; Y666-E713 PolarHBondContact OH-O 3.13Å; Y666-E713 VanDerWaalsContact OH-O 3.08Å; Y666-Y714 HydrophobicContact CE1-CD1 4.03Å; Y666-Y714 HydrophobicContact CE1-CE1 4.39Å; Y666-P715 HydrophobicContact CD2-CG 4.09Å; Y666-P715 HydrophobicContact CG-CG 4.35Å
667L96.6Very high90.9Very high0 Ų033.9 Ų33.90%018%0.178CC..EExtended strand (participates in β ladder)trans-119.4121.9171.5-172.5169.6000107.4W585 M594 L604 I656 L678 F687W585-L667 HydrophobicContact CH2-CD1 4.33Å; M594-L667 HydrophobicContact CE-CD1 4.16Å; M594-L667 HydrophobicContact CG-CD1 4.42Å; L604-L667 HydrophobicContact CD1-CD2 3.58Å; I656-L667 HydrophobicContact CD1-CB 4.19Å; I656-L667 HydrophobicContact CD1-CD1 3.92Å; I656-L667 HydrophobicContact CD1-CG 3.91Å; I656-L667 HydrophobicContact CG1-CB 3.82Å; I656-L667 HydrophobicContact CG1-CD1 4.29Å; I656-L667 HydrophobicContact CG1-CG 3.71Å; L667-L678 HydrophobicContact CB-CB 4.44Å; L667-L678 HydrophobicContact CD2-CD1 4.05Å; L667-L678 PolarHBondContact N-O 3.26Å; L667-L678 PolarHBondContact O-N 2.74Å; L667-F687 HydrophobicContact CB-CD1 3.64Å; L667-F687 HydrophobicContact CB-CE1 3.56Å; L667-F687 HydrophobicContact CB-CE2 4.44Å; L667-F687 HydrophobicContact CB-CG 4.15Å; L667-F687 HydrophobicContact CB-CZ 3.98Å; L667-F687 HydrophobicContact CD1-CD1 4.39Å; L667-F687 HydrophobicContact CD1-CD2 3.82Å; L667-F687 HydrophobicContact CD1-CE1 4.48Å; L667-F687 HydrophobicContact CD1-CE2 3.9Å; L667-F687 HydrophobicContact CD1-CG 4.08Å; L667-F687 HydrophobicContact CD1-CZ 4.24Å
668C96.3Very high91Very high0 Ų032.7 Ų32.70%017%0.171CC..EExtended strand (participates in β ladder)trans-108.2133.6174.9-164.80000110.1C654 C655 V676 L677 F704 M706C654-C668 VanDerWaalsContact CA-O 3.25Å; C654-C668 WeakPolarHBondContact CA-O 3.46Å; C655-C668 PolarHBondContact N-O 3.33Å; C655-C668 PolarHBondContact O-N 2.87Å; C668-V676 CarbonylContact C-O 3.42Å; C668-V676 VanDerWaalsContact CA-O 3.28Å; C668-V676 WeakPolarHBondContact CA-O 3.44Å; C668-L677 HydrophobicContact CB-CD1 4.37Å; C668-F704 HydrophobicContact CB-CE1 4.29Å; C668-F704 HydrophobicContact CB-CZ 4.27Å; C668-M706 HydrophobicContact CB-CE 3.75Å; C668-M706 HydrophobicContact CB-CG 4.16Å; C668-M706 HydrophobicContact CB-SD 3.62Å
669G95.3Very high91.1Very high0 Ų027.9 Ų27.90%015%0.154CC..EExtended strand (participates in β ladder)trans-118.4128.9174.900000111.1I675 V676G669-I675 CarbonylContact O-C 2.91Å; G669-I675 VanDerWaalsContact O-CA 3.25Å; G669-I675 WeakPolarHBondContact O-CA 3.47Å; G669-V676 PolarHBondContact N-O 3.09Å; G669-V676 WeakPolarHBondContact O-CG2 3.46Å; G669-V676 PolarHBondContact O-N 2.86Å
670A93.9Very high91.2Very high0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-84.7121.117200000110.6C651 H652 K653 V697 L701 F704C651-A670 CarbonylContact C-O 3.58Å; C651-A670 WeakPolarHBondContact CA-O 3.49Å; C651-A670 PolarHBondContact SG-O 3.38Å; C651-A670 VanDerWaalsContact SG-O 3.33Å; H652-A670 PolarHBondContact CD2-O 3.06Å; H652-A670 PolarHBondContact N-O 3.39Å; K653-A670 HydrophobicContact CB-CB 4.18Å; K653-A670 PolarHBondContact O-N 2.8Å; A670-V697 HydrophobicContact CB-CG1 4.49Å; A670-L701 HydrophobicContact CB-CD2 3.6Å; A670-F704 HydrophobicContact CB-CD1 4.46Å; A670-F704 HydrophobicContact CB-CD2 4.26Å; A670-F704 HydrophobicContact CB-CE1 4Å; A670-F704 HydrophobicContact CB-CE2 3.79Å; A670-F704 HydrophobicContact CB-CZ 3.64Å
671L91.3Very high91.2Very high9 Ų928.6 Ų28.65%0.04715%0.149CC..EExtended strand (participates in β ladder)trans-103164.2172.6-50.4-179.2000109.3C651 S673 G674 V676 V697C651-L671 HydrophobicContact CB-CD2 3.63Å; L671-S673 PolarHBondContact O-N 3.29Å; L671-G674 CarbonylContact C-O 3.51Å; L671-G674 WeakPolarHBondContact CA-O 3.37Å; L671-G674 WeakPolarHBondContact CB-O 3.17Å; L671-G674 PolarHBondContact N-O 3.39Å; L671-G674 PolarHBondContact O-N 2.97Å; L671-V676 HydrophobicContact CD1-CG1 3.92Å; L671-V676 HydrophobicContact CD2-CG2 4.49Å; L671-V697 WeakPolarHBondContact O-CG2 3.4Å
672Q83.8Confident90.9Very high171 Ų17130.2 Ų30.280%0.79916%0.159SC*.THydrogen-bonded Turntrans-59.9-31.8175.6-169.6174.18.500113.2
673S84.1Confident90.3Very high74 Ų7432.7 Ų32.752%0.51718%0.176SC..THydrogen-bonded Turntrans-116.416.6-176.1630000113.8L671 E694 F695L671-S673 PolarHBondContact O-N 3.29Å; S673-E694 WeakPolarHBondContact O-CA 3.23Å; S673-F695 CarbonylContact C-O 3.6Å; S673-F695 PolarHBondContact O-N 2.9Å; S673-F695 VanDerWaalsContact O-O 3.12Å
674G89.9Confident89.4Confident0 Ų032.8 Ų32.80%017%0.167CC..EExtended strand (participates in β ladder)trans164.9-163.3176.900000114.4L671 F693 F695 V697L671-G674 CarbonylContact C-O 3.51Å; L671-G674 WeakPolarHBondContact CA-O 3.37Å; L671-G674 WeakPolarHBondContact CB-O 3.17Å; L671-G674 PolarHBondContact N-O 3.39Å; L671-G674 PolarHBondContact O-N 2.97Å; G674-F693 CarbonylContact C-O 3.4Å; G674-F693 WeakPolarHBondContact CA-O 3.43Å; G674-F695 WeakPolarHBondContact CA-O 3.37Å; G674-F695 PolarHBondContact N-O 2.96Å; G674-V697 VanDerWaalsContact O-CG2 3.32Å; G674-V697 WeakPolarHBondContact O-CG2 3.46Å
675I92.8Very high89Confident1 Ų132.9 Ų32.91%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-129.4151.4171.165.1-170.5000110.5G669 F693 F695 V697 F704 V717 I736 L738G669-I675 CarbonylContact O-C 2.91Å; G669-I675 VanDerWaalsContact O-CA 3.25Å; G669-I675 WeakPolarHBondContact O-CA 3.47Å; I675-F693 HydrophobicContact CG1-CB 3.89Å; I675-F693 PolarHBondContact N-O 3.42Å; I675-F693 PolarHBondContact O-N 3.2Å; I675-F695 HydrophobicContact CB-CE1 4.14Å; I675-F695 HydrophobicContact CD1-CE1 3.97Å; I675-F695 HydrophobicContact CD1-CZ 4.42Å; I675-F695 HydrophobicContact CG1-CE1 3.81Å; I675-F695 HydrophobicContact CG2-CE1 3.65Å; I675-F695 HydrophobicContact CG2-CZ 3.7Å; I675-V697 HydrophobicContact CG2-CG2 4.27Å; I675-F704 HydrophobicContact CG2-CE2 3.89Å; I675-F704 HydrophobicContact CG2-CZ 4.05Å; I675-V717 HydrophobicContact CD1-CB 4.25Å; I675-V717 HydrophobicContact CD1-CG1 4.38Å; I675-V717 HydrophobicContact CD1-CG2 4.06Å; I675-I736 HydrophobicContact CD1-CB 4.37Å; I675-I736 HydrophobicContact CD1-CD1 3.82Å; I675-I736 HydrophobicContact CD1-CG2 4.04Å; I675-L738 HydrophobicContact CD1-CD2 3.75Å; I675-L738 HydrophobicContact CG1-CD2 4.34Å
676V94.1Very high88.5Confident0 Ų034.4 Ų34.40%017%0.173CC..EExtended strand (participates in β ladder)trans-115.1130.2172-76.10000109.8T648 C668 G669 L671 L678 L689 H692T648-V676 HydrophobicContact CG2-CG2 4.14Å; C668-V676 CarbonylContact C-O 3.42Å; C668-V676 VanDerWaalsContact CA-O 3.28Å; C668-V676 WeakPolarHBondContact CA-O 3.44Å; G669-V676 PolarHBondContact N-O 3.09Å; G669-V676 WeakPolarHBondContact O-CG2 3.46Å; G669-V676 PolarHBondContact O-N 2.86Å; L671-V676 HydrophobicContact CD1-CG1 3.92Å; L671-V676 HydrophobicContact CD2-CG2 4.49Å; V676-L678 HydrophobicContact CB-CD1 4.24Å; V676-L678 HydrophobicContact CG2-CD1 4.07Å; V676-L689 HydrophobicContact CB-CD1 3.93Å; V676-L689 HydrophobicContact CG1-CD1 4.01Å; V676-H692 HydrophobicContact CG1-CB 4.47Å; V676-H692 WeakPolarHBondContact CG1-CD2 3.35Å
677L94.9Very high88.2Confident1 Ų135 Ų351%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-106.8120.7172-174.675.1000109.2Y666 C668 I690 K691 M706 Y714 L738Y666-L677 HydrophobicContact CD1-CD1 4.39Å; Y666-L677 HydrophobicContact CD1-CD2 4.32Å; Y666-L677 HydrophobicContact CD1-CG 4.43Å; Y666-L677 HydrophobicContact CG-CD1 4.48Å; C668-L677 HydrophobicContact CB-CD1 4.37Å; L677-I690 HydrophobicContact CD2-CD1 3.96Å; L677-I690 HydrophobicContact CG-CD1 4.19Å; L677-I690 PolarHBondContact O-N 3Å; L677-K691 HydrophobicContact CB-CB 4.41Å; L677-K691 PolarHBondContact N-O 3.47Å; L677-K691 PolarHBondContact O-N 3.15Å; L677-M706 HydrophobicContact CD1-SD 3.94Å; L677-Y714 HydrophobicContact CD2-CD1 3.58Å; L677-Y714 HydrophobicContact CD2-CE1 4.33Å; L677-Y714 HydrophobicContact CD2-CG 3.96Å; L677-L738 HydrophobicContact CB-CD1 4.04Å; L677-L738 HydrophobicContact CD1-CD1 3.88Å; L677-L738 HydrophobicContact CD2-CD1 3.76Å; L677-L738 HydrophobicContact CG-CD1 4.08Å
678L95.3Very high87.7Confident1 Ų135.6 Ų35.61%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-113.6149.1173.9-5698.4000110.5I645 T648 Y666 L667 V676 F687 M688 L689I645-L678 HydrophobicContact CG2-CD2 3.57Å; T648-L678 HydrophobicContact CG2-CD1 4.49Å; Y666-L678 CarbonylContact C-O 3.6Å; Y666-L678 VanDerWaalsContact CA-O 3.28Å; Y666-L678 WeakPolarHBondContact CA-O 3.2Å; L667-L678 HydrophobicContact CB-CB 4.44Å; L667-L678 HydrophobicContact CD2-CD1 4.05Å; L667-L678 PolarHBondContact N-O 3.26Å; L667-L678 PolarHBondContact O-N 2.74Å; V676-L678 HydrophobicContact CB-CD1 4.24Å; V676-L678 HydrophobicContact CG2-CD1 4.07Å; L678-F687 HydrophobicContact CB-CB 3.97Å; L678-F687 HydrophobicContact CB-CD1 4.26Å; L678-F687 HydrophobicContact CD2-CB 4.21Å; L678-M688 CarbonylContact C-O 3.57Å; L678-M688 VanDerWaalsContact CA-O 3.22Å; L678-M688 WeakPolarHBondContact CA-O 3.36Å; L678-L689 HydrophobicContact CD2-CB 4.43Å; L678-L689 HydrophobicContact CG-CD1 4.21Å
679Q94.2Very high87.4Confident24 Ų2437.8 Ų37.811%0.11219%0.19CC..EExtended strand (participates in β ladder)trans-118.7139.1173.5165.6175.93.600110.5H664 K665 Y666 Y681 F687 M688 I690H664-Q679 PolarHBondContact CD2-NE2 2.72Å; H664-Q679 VanDerWaalsContact CD2-NE2 3.27Å; H664-Q679 VanDerWaalsContact CG-NE2 3.27Å; H664-Q679 PolarHBondContact ND1-NE2 3.39Å; H664-Q679 PolarHBondContact NE2-NE2 2.82Å; K665-Q679 WeakPolarHBondContact O-CA 3.06Å; Y666-Q679 HydrophobicContact CD1-CB 3.91Å; Y666-Q679 HydrophobicContact CD1-CG 4.47Å; Y666-Q679 HydrophobicContact CE1-CB 3.95Å; Y666-Q679 HydrophobicContact CE1-CG 4.23Å; Q679-Y681 PolarHBondContact O-N 3.34Å; Q679-F687 CarbonylContact O-C 3.39Å; Q679-F687 WeakPolarHBondContact O-CA 3.41Å; Q679-M688 PolarHBondContact N-O 3.16Å; Q679-M688 PolarHBondContact O-N 2.76Å; Q679-I690 HydrophobicContact CB-CD1 3.21Å; Q679-I690 HydrophobicContact CB-CG1 3.69Å; Q679-I690 HydrophobicContact CG-CD1 4.38Å
680W92.4Very high87.1Confident15 Ų1539.9 Ų39.96%0.05720%0.2CC..EExtended strand (participates in β ladder)trans-66.4122.8172.3-176.9-105.9000110.8I589 N592 K665 E682 Q685 F687I589-W680 HydrophobicContact CD1-CB 4.23Å; I589-W680 HydrophobicContact CD1-CD2 3.41Å; I589-W680 VanDerWaalsContact CD1-CD2 3.41Å; I589-W680 HydrophobicContact CD1-CE3 3.78Å; I589-W680 HydrophobicContact CD1-CG 3.62Å; I589-W680 HydrophobicContact CD1-CH2 4.48Å; I589-W680 HydrophobicContact CD1-CZ2 4.19Å; I589-W680 HydrophobicContact CD1-CZ3 4.3Å; I589-W680 HydrophobicContact CG1-CD2 4.17Å; I589-W680 HydrophobicContact CG1-CE3 4.4Å; I589-W680 HydrophobicContact CG1-CH2 4.26Å; I589-W680 HydrophobicContact CG1-CZ2 4.04Å; I589-W680 HydrophobicContact CG1-CZ3 4.45Å; I589-W680 HydrophobicContact CG2-CE3 3.94Å; I589-W680 HydrophobicContact CG2-CH2 3.7Å; I589-W680 HydrophobicContact CG2-CZ2 4.34Å; I589-W680 HydrophobicContact CG2-CZ3 3.48Å; I589-W680 VanDerWaalsContact CG2-CZ3 3.48Å; N592-W680 HydrophobicContact CB-CH2 4.27Å; K665-W680 HydrophobicContact CB-CB 3.89Å; K665-W680 PolarHBondContact O-N 3.33Å; W680-E682 VanDerWaalsContact CD1-OE2 3.28Å; W680-E682 PolarHBondContact NE1-OE2 3.14Å; W680-Q685 HydrophobicContact CH2-CB 4.2Å; W680-Q685 WeakPolarHBondContact CH2-O 3.4Å; W680-Q685 HydrophobicContact CZ2-CB 4.15Å; W680-F687 HydrophobicContact CB-CD1 4.11Å; W680-F687 HydrophobicContact CB-CE1 3.76Å; W680-F687 HydrophobicContact CB-CZ 4.19Å; W680-F687 HydrophobicContact CE3-CD1 4.41Å; W680-F687 AromaticContact CE3-CD2 3.63Å; W680-F687 HydrophobicContact CE3-CD2 3.63Å; W680-F687 HydrophobicContact CE3-CE1 4.4Å; W680-F687 AromaticContact CE3-CE2 3.64Å; W680-F687 HydrophobicContact CE3-CE2 3.64Å; W680-F687 HydrophobicContact CE3-CG 4.04Å; W680-F687 HydrophobicContact CE3-CZ 4.04Å; W680-F687 HydrophobicContact CZ3-CD2 4.02Å; W680-F687 HydrophobicContact CZ3-CE2 4.11Å
681Y84.6Confident86.8Confident58 Ų5843 Ų4323%0.22721%0.214CC..EExtended strand (participates in β ladder)trans-109.599.7175.7-171.1-118.5000110P223 Q679 P683 M684 Q685 R686P223-Y681 HydrophobicContact CG-CD1 4.34Å; P223-Y681 HydrophobicContact CG-CE1 3.76Å; P223-Y681 HydrophobicContact CG-CE2 4.14Å; Q679-Y681 PolarHBondContact O-N 3.34Å; Y681-P683 VanDerWaalsContact C-CD 3.48Å; Y681-P683 HydrophobicContact CD1-CB 4.46Å; Y681-P683 HydrophobicContact CD1-CG 4.5Å; Y681-P683 HydrophobicContact CE1-CB 3.87Å; Y681-P683 HydrophobicContact CE1-CG 3.94Å; Y681-P683 HydrophobicContact CE2-CG 4.05Å; Y681-M684 HydrophobicContact CD1-CB 3.81Å; Y681-M684 HydrophobicContact CD1-CG 3.57Å; Y681-M684 HydrophobicContact CD1-SD 3.7Å; Y681-M684 HydrophobicContact CE1-CB 4.42Å; Y681-M684 HydrophobicContact CE1-CG 3.73Å; Y681-M684 HydrophobicContact CE1-SD 3.85Å; Y681-M684 PolarHBondContact O-N 3.39Å; Y681-M684 VanDerWaalsContact O-N 3.11Å; Y681-Q685 PolarHBondContact O-N 3.33Å; Y681-R686 PolarHBondContact N-O 2.94Å
682E79.6Confident86.6Confident93 Ų9346.3 Ų46.344%0.43523%0.229SC..G310 helixtrans-51.7-45.3-173.5-162.468.2-141.300113.9N590 W680 M684 Q685N590-E682 PolarHBondContact ND2-OE1 2.9Å; W680-E682 VanDerWaalsContact CD1-OE2 3.28Å; W680-E682 PolarHBondContact NE1-OE2 3.14Å; E682-M684 PolarHBondContact O-N 3.15Å; E682-M684 VanDerWaalsContact O-N 3.16Å; E682-Q685 PolarHBondContact O-N 3.24Å; E682-Q685 PolarHBondContact O-NE2 2.91Å; E682-Q685 PolarHBondContact OE1-NE2 3.46Å
683P71.9Confident86.7Confident99 Ų9940.1 Ų40.164%0.64320%0.199SC*.G310 helixtrans-63-25.5-178-24.436.4000114.2Y681Y681-P683 VanDerWaalsContact C-CD 3.48Å; Y681-P683 HydrophobicContact CD1-CB 4.46Å; Y681-P683 HydrophobicContact CD1-CG 4.5Å; Y681-P683 HydrophobicContact CE1-CB 3.87Å; Y681-P683 HydrophobicContact CE1-CG 3.94Å; Y681-P683 HydrophobicContact CE2-CG 4.05Å
684M66.9Low86.7Confident38 Ų3843.6 Ų43.619%0.18721%0.208CC..G310 helixtrans-103-4.7177-65.3176.962.700113Y180 F219 Y681 E682 R686 M688Y180-M684 HydrophobicContact CE2-SD 4.28Å; F219-M684 HydrophobicContact CD1-CE 4.31Å; F219-M684 HydrophobicContact CD2-CE 4.28Å; F219-M684 HydrophobicContact CE1-CE 3.72Å; F219-M684 HydrophobicContact CE2-CE 3.69Å; F219-M684 HydrophobicContact CE2-SD 4.34Å; F219-M684 HydrophobicContact CZ-CE 3.38Å; F219-M684 HydrophobicContact CZ-SD 4.45Å; Y681-M684 HydrophobicContact CD1-CB 3.81Å; Y681-M684 HydrophobicContact CD1-CG 3.57Å; Y681-M684 HydrophobicContact CD1-SD 3.7Å; Y681-M684 HydrophobicContact CE1-CB 4.42Å; Y681-M684 HydrophobicContact CE1-CG 3.73Å; Y681-M684 HydrophobicContact CE1-SD 3.85Å; Y681-M684 PolarHBondContact O-N 3.39Å; Y681-M684 VanDerWaalsContact O-N 3.11Å; E682-M684 PolarHBondContact O-N 3.15Å; E682-M684 VanDerWaalsContact O-N 3.16Å; M684-R686 WeakPolarHBondContact O-CG 3.49Å; M684-R686 PolarHBondContact O-N 3.27Å; M684-M688 HydrophobicContact CE-CE 4.44Å; M684-M688 HydrophobicContact CE-SD 4.3Å
685Q80.1Confident86.1Confident64 Ų6444.8 Ų44.830%0.29921%0.213SC..THydrogen-bonded Turntrans50.242.3-174.9-63.6-71.3-52.100112.6N590 N592 W680 Y681 E682N590-Q685 PolarHBondContact ND2-OE1 3.4Å; N592-Q685 PolarHBondContact ND2-O 2.84Å; W680-Q685 HydrophobicContact CH2-CB 4.2Å; W680-Q685 WeakPolarHBondContact CH2-O 3.4Å; W680-Q685 HydrophobicContact CZ2-CB 4.15Å; Y681-Q685 PolarHBondContact O-N 3.33Å; E682-Q685 PolarHBondContact O-N 3.24Å; E682-Q685 PolarHBondContact O-NE2 2.91Å; E682-Q685 PolarHBondContact OE1-NE2 3.46Å
686R84.5Confident85.4Confident72 Ų7250 Ų5027%0.27225%0.246SC..EExtended strand (participates in β ladder)trans-143.2150-175-73.3174.8-177.3-158.5-5.8112.2R637 Y681 M684 M688R637-R686 PolarHBondContact O-NH2 3.35Å; R637-R686 VanDerWaalsContact O-NH2 3.12Å; Y681-R686 PolarHBondContact N-O 2.94Å; M684-R686 WeakPolarHBondContact O-CG 3.49Å; M684-R686 PolarHBondContact O-N 3.27Å; R686-M688 HydrophobicContact CB-SD 4.48Å
687F90.3Very high84.7Confident14 Ų1450.7 Ų50.76%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-77.9123.7165.3-79.9-76.7000110.1I589 M594 I656 L667 L678 Q679 W680I589-F687 HydrophobicContact CD1-CZ 4.26Å; I589-F687 HydrophobicContact CG2-CE2 3.97Å; M594-F687 HydrophobicContact CE-CD2 3.82Å; M594-F687 HydrophobicContact CG-CD2 4.11Å; M594-F687 HydrophobicContact CG-CE2 3.89Å; M594-F687 HydrophobicContact SD-CD2 3.83Å; M594-F687 HydrophobicContact SD-CE2 4.16Å; I656-F687 HydrophobicContact CD1-CE2 4.4Å; I656-F687 HydrophobicContact CD1-CZ 4.08Å; L667-F687 HydrophobicContact CB-CD1 3.64Å; L667-F687 HydrophobicContact CB-CE1 3.56Å; L667-F687 HydrophobicContact CB-CE2 4.44Å; L667-F687 HydrophobicContact CB-CG 4.15Å; L667-F687 HydrophobicContact CB-CZ 3.98Å; L667-F687 HydrophobicContact CD1-CD1 4.39Å; L667-F687 HydrophobicContact CD1-CD2 3.82Å; L667-F687 HydrophobicContact CD1-CE1 4.48Å; L667-F687 HydrophobicContact CD1-CE2 3.9Å; L667-F687 HydrophobicContact CD1-CG 4.08Å; L667-F687 HydrophobicContact CD1-CZ 4.24Å; L678-F687 HydrophobicContact CB-CB 3.97Å; L678-F687 HydrophobicContact CB-CD1 4.26Å; L678-F687 HydrophobicContact CD2-CB 4.21Å; Q679-F687 CarbonylContact O-C 3.39Å; Q679-F687 WeakPolarHBondContact O-CA 3.41Å; W680-F687 HydrophobicContact CB-CD1 4.11Å; W680-F687 HydrophobicContact CB-CE1 3.76Å; W680-F687 HydrophobicContact CB-CZ 4.19Å; W680-F687 HydrophobicContact CE3-CD1 4.41Å; W680-F687 AromaticContact CE3-CD2 3.63Å; W680-F687 HydrophobicContact CE3-CD2 3.63Å; W680-F687 HydrophobicContact CE3-CE1 4.4Å; W680-F687 AromaticContact CE3-CE2 3.64Å; W680-F687 HydrophobicContact CE3-CE2 3.64Å; W680-F687 HydrophobicContact CE3-CG 4.04Å; W680-F687 HydrophobicContact CE3-CZ 4.04Å; W680-F687 HydrophobicContact CZ3-CD2 4.02Å; W680-F687 HydrophobicContact CZ3-CE2 4.11Å
688M86.2Confident84Confident13 Ų1352.3 Ų52.36%0.06426%0.262CS..EExtended strand (participates in β ladder)trans-110.2133.1-178.5-61.8-62.3-69.100109.5L221 H222 L678 Q679 M684 R686 I690L221-M688 WeakPolarHBondContact O-CE 3.17Å; H222-M688 HydrophobicContact CB-CB 4.36Å; L678-M688 CarbonylContact C-O 3.57Å; L678-M688 VanDerWaalsContact CA-O 3.22Å; L678-M688 WeakPolarHBondContact CA-O 3.36Å; Q679-M688 PolarHBondContact N-O 3.16Å; Q679-M688 PolarHBondContact O-N 2.76Å; M684-M688 HydrophobicContact CE-CE 4.44Å; M684-M688 HydrophobicContact CE-SD 4.3Å; R686-M688 HydrophobicContact CB-SD 4.48Å; M688-I690 PolarHBondContact O-N 3.24Å
689L89.6Confident83.1Confident47 Ų4758 Ų5825%0.24630%0.302CS..EExtended strand (participates in β ladder)trans-62.8127.5178.7-176.569.4000110.7D647 V676 L678D647-L689 HydrophobicContact CB-CD2 4.12Å; V676-L689 HydrophobicContact CB-CD1 3.93Å; V676-L689 HydrophobicContact CG1-CD1 4.01Å; L678-L689 HydrophobicContact CD2-CB 4.43Å; L678-L689 HydrophobicContact CG-CD1 4.21Å
690I89.2Confident82.5Confident44 Ų4461.7 Ų61.723%0.22633%0.327CS..EExtended strand (participates in β ladder)trans-102.8-52.4175.3-45.1170.7000110.1Y666 L677 Q679 M688 Y714Y666-I690 HydrophobicContact CD1-CD1 3.8Å; Y666-I690 HydrophobicContact CE1-CD1 3.65Å; L677-I690 HydrophobicContact CD2-CD1 3.96Å; L677-I690 HydrophobicContact CG-CD1 4.19Å; L677-I690 PolarHBondContact O-N 3Å; Q679-I690 HydrophobicContact CB-CD1 3.21Å; Q679-I690 HydrophobicContact CB-CG1 3.69Å; Q679-I690 HydrophobicContact CG-CD1 4.38Å; M688-I690 PolarHBondContact O-N 3.24Å; I690-Y714 HydrophobicContact CD1-CD1 4.41Å; I690-Y714 HydrophobicContact CD1-CE1 4.02Å; I690-Y714 HydrophobicContact CG2-CE1 3.83Å
691K87.3Confident82.1Confident66 Ų6661.9 Ų61.929%0.28733%0.329SS..EExtended strand (participates in β ladder)trans-139.8141.1-173.8-67.1-168.2178.4-171.90110.9L677 Y714 L738L677-K691 HydrophobicContact CB-CB 4.41Å; L677-K691 PolarHBondContact N-O 3.47Å; L677-K691 PolarHBondContact O-N 3.15Å; K691-Y714 HydrophobicContact CD-CD2 4.5Å; K691-Y714 HydrophobicContact CD-CE2 4.36Å; K691-Y714 VanDerWaalsContact CE-CE2 3.43Å; K691-L738 WeakPolarHBondContact CD-O 3.47Å; K691-L738 PolarHBondContact NZ-O 3.47Å
692H87.8Confident82Confident77 Ų7764.4 Ų64.436%0.35634%0.341SS..EExtended strand (participates in β ladder)trans-114126.6164.3-176.2-90.2000106.4V676 E694V676-H692 HydrophobicContact CG1-CB 4.47Å; V676-H692 WeakPolarHBondContact CG1-CD2 3.35Å; H692-E694 WeakPolarHBondContact CE1-CG 3.3Å; H692-E694 IonicContact CE1-OE1 3.95Å; H692-E694 WeakPolarHBondContact ND1-CG 3.23Å; H692-E694 IonicContact ND1-OE1 3.03Å
693F84.7Confident82.4Confident41 Ų4160.4 Ų60.418%0.1832%0.324CS..EExtended strand (participates in β ladder)trans-122.4109.8-177.2-167.1-89.4000108.9G674 I675 F695 I736 L738 S743G674-F693 CarbonylContact C-O 3.4Å; G674-F693 WeakPolarHBondContact CA-O 3.43Å; I675-F693 HydrophobicContact CG1-CB 3.89Å; I675-F693 PolarHBondContact N-O 3.42Å; I675-F693 PolarHBondContact O-N 3.2Å; F693-F695 AromaticContact CD1-CD1 3.43Å; F693-F695 HydrophobicContact CD1-CD1 3.43Å; F693-F695 VanDerWaalsContact CD1-CD1 3.43Å; F693-F695 AromaticContact CD1-CE1 3.93Å; F693-F695 HydrophobicContact CD1-CE1 3.93Å; F693-F695 HydrophobicContact CD1-CG 4.31Å; F693-F695 HydrophobicContact CE1-CB 4.23Å; F693-F695 AromaticContact CE1-CD1 3.79Å; F693-F695 HydrophobicContact CE1-CD1 3.79Å; F693-F695 HydrophobicContact CE1-CG 4.24Å; F693-F695 WeakPolarHBondContact O-CD1 3.31Å; F693-I736 HydrophobicContact CD1-CG2 4.1Å; F693-I736 HydrophobicContact CE1-CG2 4.4Å; F693-L738 HydrophobicContact CB-CD2 4.26Å; F693-S743 WeakPolarHBondContact CE1-OG 3.45Å; F693-S743 WeakPolarHBondContact CE2-OG 3.42Å; F693-S743 WeakPolarHBondContact CZ-OG 3.33Å
694E83.8Confident83.4Confident148 Ų14855.8 Ų55.869%0.69229%0.293SS*.EExtended strand (participates in β ladder)trans-85.6121.5-174.9-72.5179-174.800111.3S673 H692S673-E694 WeakPolarHBondContact O-CA 3.23Å; H692-E694 WeakPolarHBondContact CE1-CG 3.3Å; H692-E694 IonicContact CE1-OE1 3.95Å; H692-E694 WeakPolarHBondContact ND1-CG 3.23Å; H692-E694 IonicContact ND1-OE1 3.03Å
695F78.4Confident84.7Confident24 Ų2456.6 Ų56.611%0.10530%0.297CS..SBendtrans-170.6152.7171.971.9-72000109.3S673 G674 I675 F693 V697 I736S673-F695 CarbonylContact C-O 3.6Å; S673-F695 PolarHBondContact O-N 2.9Å; S673-F695 VanDerWaalsContact O-O 3.12Å; G674-F695 WeakPolarHBondContact CA-O 3.37Å; G674-F695 PolarHBondContact N-O 2.96Å; I675-F695 HydrophobicContact CB-CE1 4.14Å; I675-F695 HydrophobicContact CD1-CE1 3.97Å; I675-F695 HydrophobicContact CD1-CZ 4.42Å; I675-F695 HydrophobicContact CG1-CE1 3.81Å; I675-F695 HydrophobicContact CG2-CE1 3.65Å; I675-F695 HydrophobicContact CG2-CZ 3.7Å; F693-F695 AromaticContact CD1-CD1 3.43Å; F693-F695 HydrophobicContact CD1-CD1 3.43Å; F693-F695 VanDerWaalsContact CD1-CD1 3.43Å; F693-F695 AromaticContact CD1-CE1 3.93Å; F693-F695 HydrophobicContact CD1-CE1 3.93Å; F693-F695 HydrophobicContact CD1-CG 4.31Å; F693-F695 HydrophobicContact CE1-CB 4.23Å; F693-F695 AromaticContact CE1-CD1 3.79Å; F693-F695 HydrophobicContact CE1-CD1 3.79Å; F693-F695 HydrophobicContact CE1-CG 4.24Å; F693-F695 WeakPolarHBondContact O-CD1 3.31Å; F695-V697 HydrophobicContact CE1-CG2 4.23Å; F695-V697 HydrophobicContact CE2-CB 4.35Å; F695-V697 HydrophobicContact CE2-CG2 3.85Å; F695-V697 HydrophobicContact CZ-CG2 3.62Å; F695-V697 PolarHBondContact O-N 3.17Å; F695-I736 HydrophobicContact CD2-CD1 4.47Å; F695-I736 HydrophobicContact CE1-CD1 3.59Å; F695-I736 HydrophobicContact CE2-CD1 3.54Å; F695-I736 HydrophobicContact CZ-CD1 3.02Å; F695-I736 HydrophobicContact CZ-CG1 4.31Å
696P77.4Confident85.4Confident110 Ų11054 Ų5471%0.71428%0.284SS*.PPolyproline II helixtrans-67.6116.4173.427.9-32.8000110
697V79.8Confident85.9Confident16 Ų1650.8 Ų50.810%0.09727%0.273CS..PPolyproline II helixtrans-73.1140176.2-178.60000109.3A670 L671 G674 I675 F695 S699 L701A670-V697 HydrophobicContact CB-CG1 4.49Å; L671-V697 WeakPolarHBondContact O-CG2 3.4Å; G674-V697 VanDerWaalsContact O-CG2 3.32Å; G674-V697 WeakPolarHBondContact O-CG2 3.46Å; I675-V697 HydrophobicContact CG2-CG2 4.27Å; F695-V697 HydrophobicContact CE1-CG2 4.23Å; F695-V697 HydrophobicContact CE2-CB 4.35Å; F695-V697 HydrophobicContact CE2-CG2 3.85Å; F695-V697 HydrophobicContact CZ-CG2 3.62Å; F695-V697 PolarHBondContact O-N 3.17Å; V697-S699 PolarHBondContact O-N 3.42Å; V697-L701 HydrophobicContact CG1-CB 4.46Å; V697-L701 HydrophobicContact CG1-CD1 3.73Å; V697-L701 HydrophobicContact CG1-CD2 3.75Å; V697-L701 HydrophobicContact CG1-CG 4.19Å
698P80Confident86Confident35 Ų3550.3 Ų50.323%0.22727%0.271CS..PPolyproline II helixtrans-53.7138.5175.6-26.534.3000112.3P700 L701 V719P698-P700 CarbonylContact O-C 3.6Å; P698-L701 WeakPolarHBondContact O-CB 3.2Å; P698-L701 PolarHBondContact O-N 3.44Å; P698-V719 HydrophobicContact CG-CB 4.47Å; P698-V719 HydrophobicContact CG-CG2 4.36Å
699S76.8Confident86.2Confident121 Ų12150.9 Ų50.985%0.84628%0.275SS*.SBendtrans-129.5115.6176.8-173.70000109.5V697V697-S699 PolarHBondContact O-N 3.42Å
700P80.8Confident85.8Confident100 Ų10051.1 Ų51.165%0.64928%0.28SS*.SBendcis-77.1141.55.131.4-35000113.9P698 K702P698-P700 CarbonylContact O-C 3.6Å; P700-K702 HydrophobicContact CG-CG 4.48Å; P700-K702 PolarHBondContact O-N 2.92Å; P700-K702 VanDerWaalsContact O-N 3.11Å
701L85.2Confident85.5Confident19 Ų1958.1 Ų58.110%0.09931%0.311CS..  trans-83.284.1176.1-173.464.2000111.3K653 A670 V697 P698 V703 F704 V719K653-L701 HydrophobicContact CB-CD2 4.08Å; K653-L701 HydrophobicContact CD-CD2 3.9Å; K653-L701 HydrophobicContact CD-CG 4.17Å; K653-L701 PolarHBondContact NZ-O 3.04Å; A670-L701 HydrophobicContact CB-CD2 3.6Å; V697-L701 HydrophobicContact CG1-CB 4.46Å; V697-L701 HydrophobicContact CG1-CD1 3.73Å; V697-L701 HydrophobicContact CG1-CD2 3.75Å; V697-L701 HydrophobicContact CG1-CG 4.19Å; P698-L701 WeakPolarHBondContact O-CB 3.2Å; P698-L701 PolarHBondContact O-N 3.44Å; L701-V703 VanDerWaalsContact CD1-O 3.24Å; L701-V703 WeakPolarHBondContact CD1-O 3.38Å; L701-F704 HydrophobicContact CD1-CD2 4.33Å; L701-F704 HydrophobicContact CD2-CB 3.9Å; L701-F704 HydrophobicContact CD2-CD2 3.67Å; L701-F704 HydrophobicContact CD2-CE2 4.36Å; L701-F704 HydrophobicContact CD2-CG 3.84Å; L701-F704 HydrophobicContact CG-CB 4.12Å; L701-F704 HydrophobicContact CG-CD2 4.37Å; L701-V719 HydrophobicContact CD1-CB 4.1Å; L701-V719 HydrophobicContact CD1-CG1 4.44Å
702K82.5Confident85.4Confident111 Ų11157.5 Ų57.548%0.48331%0.309SS..  trans-69.9-47.6-177.4-65.8-170.7174.2-171.40112.7K653 P700 D755K653-K702 PolarHBondContact NZ-O 2.97Å; P700-K702 HydrophobicContact CG-CG 4.48Å; P700-K702 PolarHBondContact O-N 2.92Å; P700-K702 VanDerWaalsContact O-N 3.11Å; K702-D755 VanDerWaalsContact CD-OD1 3.24Å; K702-D755 WeakPolarHBondContact CD-OD1 3.35Å; K702-D755 WeakPolarHBondContact CE-OD1 3.23Å; K702-D755 IonicContact NZ-OD1 2.87Å; K702-D755 PolarHBondContact NZ-OD1 3.32Å; K702-D755 IonicContact NZ-OD2 3.57Å; K702-D755 PolarHBondContact NZ-OD2 3.4Å; K702-D755 VanDerWaalsContact NZ-OD2 3.08Å
703V88.4Confident85.3Confident10 Ų1059.6 Ų59.66%0.06132%0.319CS..  trans-106.1136.9177.6-1780000109.5L701 E705 C718 V719 I721 A756 V759L701-V703 VanDerWaalsContact CD1-O 3.24Å; L701-V703 WeakPolarHBondContact CD1-O 3.38Å; V703-E705 HydrophobicContact CG1-CG 4.44Å; V703-C718 HydrophobicContact CG1-CB 4.5Å; V703-V719 CarbonylContact O-C 3.59Å; V703-V719 WeakPolarHBondContact O-CA 2.72Å; V703-I721 HydrophobicContact CG2-CD1 4.3Å; V703-I721 HydrophobicContact CG2-CG1 4.41Å; V703-A756 HydrophobicContact CG2-CB 3.89Å; V703-V759 HydrophobicContact CG1-CB 4.39Å; V703-V759 HydrophobicContact CG1-CG2 3.8Å; V703-V759 HydrophobicContact CG2-CG2 4.4Å
704F92.4Very high85.6Confident1 Ų158.8 Ų58.80%0.00432%0.315CS..  trans-154.780.3172.7-168.8-111.9000110.3K653 C655 C668 A670 I675 L701 V717 C718 V719K653-F704 HydrophobicContact CB-CD1 4.29Å; K653-F704 HydrophobicContact CD-CB 3.56Å; K653-F704 HydrophobicContact CD-CD1 4.49Å; K653-F704 HydrophobicContact CD-CG 4.28Å; K653-F704 HydrophobicContact CG-CB 4.09Å; K653-F704 HydrophobicContact CG-CD1 4.11Å; K653-F704 HydrophobicContact CG-CG 4.38Å; C655-F704 HydrophobicContact CB-CD1 4.25Å; C655-F704 VanDerWaalsContact CB-O 3.31Å; C655-F704 WeakPolarHBondContact CB-O 3.31Å; C655-F704 PolarHBondContact SG-O 3.46Å; C655-F704 VanDerWaalsContact SG-O 3.4Å; C668-F704 HydrophobicContact CB-CE1 4.29Å; C668-F704 HydrophobicContact CB-CZ 4.27Å; A670-F704 HydrophobicContact CB-CD1 4.46Å; A670-F704 HydrophobicContact CB-CD2 4.26Å; A670-F704 HydrophobicContact CB-CE1 4Å; A670-F704 HydrophobicContact CB-CE2 3.79Å; A670-F704 HydrophobicContact CB-CZ 3.64Å; I675-F704 HydrophobicContact CG2-CE2 3.89Å; I675-F704 HydrophobicContact CG2-CZ 4.05Å; L701-F704 HydrophobicContact CD1-CD2 4.33Å; L701-F704 HydrophobicContact CD2-CB 3.9Å; L701-F704 HydrophobicContact CD2-CD2 3.67Å; L701-F704 HydrophobicContact CD2-CE2 4.36Å; L701-F704 HydrophobicContact CD2-CG 3.84Å; L701-F704 HydrophobicContact CG-CB 4.12Å; L701-F704 HydrophobicContact CG-CD2 4.37Å; F704-V717 HydrophobicContact CD2-CG1 4.03Å; F704-V717 HydrophobicContact CE2-CG1 3.56Å; F704-V717 HydrophobicContact CZ-CG1 4.12Å; F704-C718 VanDerWaalsContact CA-O 3.29Å; F704-C718 WeakPolarHBondContact CA-O 3.41Å; F704-V719 HydrophobicContact CD2-CG1 4.24Å; F704-V719 HydrophobicContact CE2-CG1 4.44Å
705E93.4Very high86.1Confident56 Ų5651.7 Ų51.726%0.26228%0.282SS..EExtended strand (participates in β ladder)trans-129.9147.2-171.4-63.4-63.1163.400111V703 C718 V759V703-E705 HydrophobicContact CG1-CG 4.44Å; E705-C718 PolarHBondContact N-O 2.93Å; E705-C718 PolarHBondContact O-N 2.97Å; E705-V759 HydrophobicContact CB-CB 4.44Å; E705-V759 HydrophobicContact CG-CB 4.1Å; E705-V759 WeakPolarHBondContact CG-O 3.49Å
706M94.7Very high86.8Confident8 Ų851.8 Ų51.84%0.03928%0.284CS..EExtended strand (participates in β ladder)trans-97.8125.6177.1-82.6-175-71.700110.8C655 V657 Y666 C668 L677 P715 L716 V717C655-M706 WeakPolarHBondContact O-CE 3.5Å; V657-M706 HydrophobicContact CB-CB 3.93Å; V657-M706 HydrophobicContact CB-CE 4.13Å; V657-M706 HydrophobicContact CG1-CB 3.67Å; V657-M706 HydrophobicContact CG1-CE 3.86Å; V657-M706 HydrophobicContact CG1-CG 4.4Å; V657-M706 HydrophobicContact CG1-SD 3.89Å; Y666-M706 WeakPolarHBondContact O-CE 3.05Å; C668-M706 HydrophobicContact CB-CE 3.75Å; C668-M706 HydrophobicContact CB-CG 4.16Å; C668-M706 HydrophobicContact CB-SD 3.62Å; L677-M706 HydrophobicContact CD1-SD 3.94Å; M706-P715 HydrophobicContact CB-CB 3.98Å; M706-P715 HydrophobicContact CB-CG 4.22Å; M706-P715 HydrophobicContact CG-CB 4.26Å; M706-P715 HydrophobicContact CG-CG 4.07Å; M706-P715 HydrophobicContact SD-CB 4.35Å; M706-P715 HydrophobicContact SD-CG 3.55Å; M706-P715 VanDerWaalsContact SD-CG 3.55Å; M706-L716 CarbonylContact C-O 3.56Å; M706-L716 VanDerWaalsContact CA-O 3.31Å; M706-L716 WeakPolarHBondContact CA-O 3.34Å; M706-V717 HydrophobicContact CG-CG2 4.09Å
707L94.6Very high87.5Confident5 Ų546.5 Ų46.53%0.02625%0.25CC..EExtended strand (participates in β ladder)trans-103.9118.3176.9-57.1176.9000109.5P715 L716 C718 F733 T735 Q761 V767 L780L707-P715 CarbonylContact O-C 3.54Å; L707-P715 WeakPolarHBondContact O-CA 3.05Å; L707-P715 WeakPolarHBondContact O-CB 3.26Å; L707-L716 HydrophobicContact CB-CB 4.43Å; L707-L716 PolarHBondContact N-O 3.37Å; L707-L716 PolarHBondContact O-N 3.37Å; L707-C718 HydrophobicContact CD1-CB 4.17Å; L707-C718 HydrophobicContact CG-CB 4.4Å; L707-F733 HydrophobicContact CD1-CD1 4.38Å; L707-F733 HydrophobicContact CD1-CG 4.34Å; L707-T735 HydrophobicContact CD1-CG2 4.24Å; L707-Q761 HydrophobicContact CD2-CB 4.26Å; L707-V767 HydrophobicContact CD2-CG1 4.31Å; L707-V767 HydrophobicContact CD2-CG2 4.23Å; L707-L780 HydrophobicContact CB-CD2 4.18Å; L707-L780 HydrophobicContact CD1-CD2 4.35Å
708V93.8Very high88.1Confident5 Ų545.8 Ų45.83%0.0325%0.245CC..PPolyproline II helixtrans-82.4119.4177.8-173.50000109.7V657 N659 Y661 P715 Q761V657-V708 HydrophobicContact CB-CG2 4.44Å; V657-V708 HydrophobicContact CG1-CG2 4.02Å; V657-V708 HydrophobicContact CG2-CG2 3.52Å; N659-V708 HydrophobicContact CB-CG1 4.11Å; Y661-V708 HydrophobicContact CD2-CG1 4.15Å; Y661-V708 HydrophobicContact CE2-CG1 3.97Å; V708-P715 HydrophobicContact CG2-CB 4.49Å; V708-Q761 PolarHBondContact O-NE2 2.81Å
709V90.3Very high88.5Confident24 Ų2444.3 Ų44.315%0.14524%0.235CC..  trans-104.9125.5175.1-175.40000108.7E711 Q712 L716 L780V709-E711 VanDerWaalsContact C-N 3.26Å; V709-E711 PolarHBondContact O-N 3.07Å; V709-Q712 HydrophobicContact CB-CB 4.11Å; V709-Q712 HydrophobicContact CB-CG 3.96Å; V709-Q712 HydrophobicContact CG1-CG 3.97Å; V709-Q712 PolarHBondContact O-N 3.12Å; V709-Q712 VanDerWaalsContact O-N 3.1Å; V709-L716 HydrophobicContact CG2-CD1 3.69Å; V709-L716 HydrophobicContact CG2-CG 3.91Å; V709-L780 HydrophobicContact CG2-CD1 4.33Å
710P81.3Confident89.1Confident53 Ų5338.9 Ų38.934%0.34420%0.198SC..THydrogen-bonded Turntrans-55.9-35.5-172.7-2632.3000115.5Y661 Q712 R764Y661-P710 HydrophobicContact CD2-CB 4.27Å; Y661-P710 HydrophobicContact CE2-CB 3.85Å; Y661-P710 HydrophobicContact CE2-CG 3.75Å; P710-Q712 VanDerWaalsContact C-N 3.33Å; P710-R764 HydrophobicContact CG-CG 3.68Å
711E82.1Confident89.4Confident190 Ų19034.3 Ų34.389%0.88817%0.168SC*.THydrogen-bonded Turntrans-87.1-4.4-175.1-64.6169-170.200112.9V709V709-E711 VanDerWaalsContact C-N 3.26Å; V709-E711 PolarHBondContact O-N 3.07Å
712Q85.3Confident89.6Confident53 Ų5333.7 Ų33.725%0.24817%0.165CC..  trans-107.2145.3-175.8-62.7-167.9400112.1V709 P710 N739V709-Q712 HydrophobicContact CB-CB 4.11Å; V709-Q712 HydrophobicContact CB-CG 3.96Å; V709-Q712 HydrophobicContact CG1-CG 3.97Å; V709-Q712 PolarHBondContact O-N 3.12Å; V709-Q712 VanDerWaalsContact O-N 3.1Å; P710-Q712 VanDerWaalsContact C-N 3.33Å; Q712-N739 PolarHBondContact OE1-ND2 3.04Å
713E85.5Confident89.8Confident121 Ų12134 Ų3457%0.56517%0.169SC*.SBendtrans-69.8-45179.9-172.2-174168.900111.3Y666 N739Y666-E713 PolarHBondContact OH-O 3.13Å; Y666-E713 VanDerWaalsContact OH-O 3.08Å; E713-N739 WeakPolarHBondContact CB-OD1 3.43Å; E713-N739 PolarHBondContact N-OD1 3.39Å; E713-N739 VanDerWaalsContact N-OD1 3.17Å
714Y91.6Very high89.6Confident24 Ų2434.4 Ų34.49%0.09418%0.175CC..SBendtrans-111.4147.5179.5-53.5-64.5000111.1Y666 L677 I690 K691 N739Y666-Y714 HydrophobicContact CE1-CD1 4.03Å; Y666-Y714 HydrophobicContact CE1-CE1 4.39Å; L677-Y714 HydrophobicContact CD2-CD1 3.58Å; L677-Y714 HydrophobicContact CD2-CE1 4.33Å; L677-Y714 HydrophobicContact CD2-CG 3.96Å; I690-Y714 HydrophobicContact CD1-CD1 4.41Å; I690-Y714 HydrophobicContact CD1-CE1 4.02Å; I690-Y714 HydrophobicContact CG2-CE1 3.83Å; K691-Y714 HydrophobicContact CD-CD2 4.5Å; K691-Y714 HydrophobicContact CD-CE2 4.36Å; K691-Y714 VanDerWaalsContact CE-CE2 3.43Å; Y714-N739 WeakPolarHBondContact CD2-OD1 3.27Å; Y714-N739 PolarHBondContact N-OD1 3.08Å; Y714-N739 PolarHBondContact O-ND2 3.24Å
715P93.2Very high89Confident0 Ų039.1 Ų39.10%020%0.203CC..  trans-63.7152.5173.228.1-34.3000111.4V657 Y666 M706 L707 V708V657-P715 HydrophobicContact CG1-CB 4.14Å; V657-P715 HydrophobicContact CG1-CG 3.97Å; Y666-P715 HydrophobicContact CD2-CG 4.09Å; Y666-P715 HydrophobicContact CG-CG 4.35Å; M706-P715 HydrophobicContact CB-CB 3.98Å; M706-P715 HydrophobicContact CB-CG 4.22Å; M706-P715 HydrophobicContact CG-CB 4.26Å; M706-P715 HydrophobicContact CG-CG 4.07Å; M706-P715 HydrophobicContact SD-CB 4.35Å; M706-P715 HydrophobicContact SD-CG 3.55Å; M706-P715 VanDerWaalsContact SD-CG 3.55Å; L707-P715 CarbonylContact O-C 3.54Å; L707-P715 WeakPolarHBondContact O-CA 3.05Å; L707-P715 WeakPolarHBondContact O-CB 3.26Å; V708-P715 HydrophobicContact CG2-CB 4.49Å
716L92.7Very high88.5Confident25 Ų2541.9 Ų41.913%0.13122%0.216CC..EExtended strand (participates in β ladder)trans-75.9144.1166.4-62.7-179.8000109.2M706 L707 V709 T735 N737M706-L716 CarbonylContact C-O 3.56Å; M706-L716 VanDerWaalsContact CA-O 3.31Å; M706-L716 WeakPolarHBondContact CA-O 3.34Å; L707-L716 HydrophobicContact CB-CB 4.43Å; L707-L716 PolarHBondContact N-O 3.37Å; L707-L716 PolarHBondContact O-N 3.37Å; V709-L716 HydrophobicContact CG2-CD1 3.69Å; V709-L716 HydrophobicContact CG2-CG 3.91Å; L716-T735 HydrophobicContact CB-CG2 4.37Å; L716-N737 HydrophobicContact CD2-CB 3.77Å
717V92.5Very high87.8Confident0 Ų050.6 Ų50.60%026%0.257CS..EExtended strand (participates in β ladder)trans-105.6108177.2-176.80000109.2I675 F704 M706 V719 T735 I736 L738I675-V717 HydrophobicContact CD1-CB 4.25Å; I675-V717 HydrophobicContact CD1-CG1 4.38Å; I675-V717 HydrophobicContact CD1-CG2 4.06Å; F704-V717 HydrophobicContact CD2-CG1 4.03Å; F704-V717 HydrophobicContact CE2-CG1 3.56Å; F704-V717 HydrophobicContact CZ-CG1 4.12Å; M706-V717 HydrophobicContact CG-CG2 4.09Å; V717-V719 HydrophobicContact CG1-CG1 4.19Å; V717-T735 CarbonylContact O-C 3.57Å; V717-T735 VanDerWaalsContact O-CA 3.27Å; V717-T735 WeakPolarHBondContact O-CA 3.47Å; V717-I736 HydrophobicContact CB-CB 4.27Å; V717-I736 PolarHBondContact N-O 3.39Å; V717-I736 PolarHBondContact O-N 3.33Å; V717-L738 HydrophobicContact CG2-CD1 3.64Å; V717-L738 HydrophobicContact CG2-CG 4.13Å
718C92.2Very high87.1Confident0 Ų053.1 Ų53.10%028%0.284CS..EExtended strand (participates in β ladder)trans-79.3119.4175.1-177.80000110V703 F704 E705 L707 A720 E734 T735V703-C718 HydrophobicContact CG1-CB 4.5Å; F704-C718 VanDerWaalsContact CA-O 3.29Å; F704-C718 WeakPolarHBondContact CA-O 3.41Å; E705-C718 PolarHBondContact N-O 2.93Å; E705-C718 PolarHBondContact O-N 2.97Å; L707-C718 HydrophobicContact CD1-CB 4.17Å; L707-C718 HydrophobicContact CG-CB 4.4Å; C718-A720 PolarHBondContact SG-O 3.27Å; C718-A720 VanDerWaalsContact SG-O 3.39Å; C718-E734 WeakPolarHBondContact CA-O 3.34Å; C718-T735 HydrophobicContact CB-CG2 4.07Å
719V89.3Confident86.8Confident4 Ų454 Ų542%0.02429%0.288CS..EExtended strand (participates in β ladder)trans-109.9-18.6-176.9-65.40000113.3P698 L701 V703 F704 V717 E734 I736P698-V719 HydrophobicContact CG-CB 4.47Å; P698-V719 HydrophobicContact CG-CG2 4.36Å; L701-V719 HydrophobicContact CD1-CB 4.1Å; L701-V719 HydrophobicContact CD1-CG1 4.44Å; V703-V719 CarbonylContact O-C 3.59Å; V703-V719 WeakPolarHBondContact O-CA 2.72Å; F704-V719 HydrophobicContact CD2-CG1 4.24Å; F704-V719 HydrophobicContact CE2-CG1 4.44Å; V717-V719 HydrophobicContact CG1-CG1 4.19Å; V719-E734 HydrophobicContact CG2-CB 4.44Å; V719-E734 PolarHBondContact N-O 2.84Å; V719-I736 HydrophobicContact CG1-CD1 3.58Å; V719-I736 HydrophobicContact CG1-CG1 4.32Å
720A88.4Confident86.8Confident8 Ų854.7 Ų54.77%0.06629%0.292CS..EExtended strand (participates in β ladder)trans-158.3165.6175.700000111.1C718 E734C718-A720 PolarHBondContact SG-O 3.27Å; C718-A720 VanDerWaalsContact SG-O 3.39Å; A720-E734 HydrophobicContact CB-CB 3.99Å; A720-E734 HydrophobicContact CB-CG 4.22Å; A720-E734 WeakPolarHBondContact CB-OE2 3.18Å; A720-E734 WeakPolarHBondContact O-CB 3.44Å; A720-E734 PolarHBondContact O-N 3.4Å
721I88.9Confident87.2Confident3 Ų352.2 Ų52.22%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-125.7132.2171.8-65.5169.4000108.2V703 V731 H732 F733 V754 A756 V759 V769V703-I721 HydrophobicContact CG2-CD1 4.3Å; V703-I721 HydrophobicContact CG2-CG1 4.41Å; I721-V731 HydrophobicContact CG2-CB 3.87Å; I721-V731 HydrophobicContact CG2-CG1 4.1Å; I721-H732 WeakPolarHBondContact CA-O 3.36Å; I721-F733 HydrophobicContact CD1-CD1 4.45Å; I721-F733 HydrophobicContact CD1-CE1 4.31Å; I721-F733 HydrophobicContact CG1-CD1 4.11Å; I721-F733 HydrophobicContact CG1-CE1 4.44Å; I721-V754 PolarHBondContact O-N 3.43Å; I721-A756 HydrophobicContact CB-CB 3.99Å; I721-A756 HydrophobicContact CD1-CB 3.35Å; I721-A756 HydrophobicContact CG1-CB 4.11Å; I721-V759 HydrophobicContact CD1-CG2 3.2Å; I721-V759 HydrophobicContact CG1-CG2 4.33Å; I721-V769 HydrophobicContact CD1-CG1 3.57Å
722S88.4Confident87.6Confident6 Ų645 Ų454%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-119.2169.8174.353.80000111.3H732 Q752S722-H732 PolarHBondContact N-O 2.83Å; S722-H732 PolarHBondContact O-N 3.01Å; S722-H732 WeakPolarHBondContact OG-CB 3.49Å; S722-H732 PolarHBondContact OG-CD2 2.94Å; S722-Q752 WeakPolarHBondContact CA-O 3.46Å; S722-Q752 WeakPolarHBondContact CB-O 3.34Å
723Q86.8Confident87.9Confident119 Ų11943 Ų4356%0.55623%0.233SC*.EExtended strand (participates in β ladder)trans-64.4140.7176-171.9168.7-1.600109.8T725 Q752 V754Q723-T725 PolarHBondContact O-N 3.39Å; Q723-Q752 HydrophobicContact CB-CB 4.49Å; Q723-Q752 PolarHBondContact N-O 2.72Å; Q723-V754 HydrophobicContact CB-CG2 4.15Å
724G84.6Confident88Confident18 Ų1837.9 Ų37.919%0.18621%0.209CC..  trans-59.1134.4177.500000111.9Q729G724-Q729 WeakPolarHBondContact CA-O 3.37Å
725T79.9Confident87.9Confident99 Ų9939 Ų3961%0.60722%0.218SC*.  trans-98.4-24.4-177.8540000112.1Q723 Q729Q723-T725 PolarHBondContact O-N 3.39Å; T725-Q729 VanDerWaalsContact N-OE1 3.11Å; T725-Q729 PolarHBondContact OG1-OE1 3.36Å
726E83.1Confident87.6Confident114 Ų11439.4 Ų39.453%0.53322%0.22SC..SBendtrans-93.6156.1178.6-62.8-175.9179.300113.4G728 Q729 K783E726-G728 PolarHBondContact O-N 3.36Å; E726-Q729 HydrophobicContact CB-CB 4.05Å; E726-Q729 WeakPolarHBondContact O-CB 3.4Å; E726-Q729 PolarHBondContact O-N 2.97Å; E726-Q729 VanDerWaalsContact O-N 3.09Å; E726-K783 IonicContact OE2-NZ 3.24Å; E726-K783 PolarHBondContact OE2-NZ 3.05Å
727Q79.4Confident87.4Confident192 Ų19240.6 Ų40.690%0.89723%0.227SC*.THydrogen-bonded Turntrans-58.3123.5171.3-74.5-173.3-9.100111.4Q729Q727-Q729 VanDerWaalsContact C-N 3.28Å; Q727-Q729 PolarHBondContact O-N 3.46Å
728G80.5Confident87.1Confident58 Ų5840.7 Ų40.760%0.59823%0.227SC*.THydrogen-bonded Turntrans82.5-4.3-18000000115.1E726E726-G728 PolarHBondContact O-N 3.36Å
729Q87.8Confident86.8Confident22 Ų2243 Ų4310%0.10324%0.239CC..BIsolated β-bridgetrans-82.5120170.1-174.7178.94400108.9G724 T725 E726 Q727 V731 Q781 K783G724-Q729 WeakPolarHBondContact CA-O 3.37Å; T725-Q729 VanDerWaalsContact N-OE1 3.11Å; T725-Q729 PolarHBondContact OG1-OE1 3.36Å; E726-Q729 HydrophobicContact CB-CB 4.05Å; E726-Q729 WeakPolarHBondContact O-CB 3.4Å; E726-Q729 PolarHBondContact O-N 2.97Å; E726-Q729 VanDerWaalsContact O-N 3.09Å; Q727-Q729 VanDerWaalsContact C-N 3.28Å; Q727-Q729 PolarHBondContact O-N 3.46Å; Q729-V731 WeakPolarHBondContact CG-O 3.31Å; Q729-V731 PolarHBondContact NE2-O 3.22Å; Q729-Q781 PolarHBondContact NE2-O 3.35Å; Q729-K783 HydrophobicContact CB-CG 4.27Å
730V88.6Confident86.3Confident40 Ų4045.2 Ų45.224%0.24226%0.255CS..  trans-91.8-24.8179.6-67.10000112.5K776 V778 G782 L784V730-K776 HydrophobicContact CB-CD 4.45Å; V730-K776 HydrophobicContact CG2-CD 4.22Å; V730-V778 HydrophobicContact CG2-CG1 3.44Å; V730-V778 VanDerWaalsContact CG2-CG1 3.44Å; V730-G782 VanDerWaalsContact CG2-O 3.27Å; V730-G782 WeakPolarHBondContact CG2-O 3.41Å; V730-G782 PolarHBondContact N-O 3.05Å; V730-L784 HydrophobicContact CB-CG 4.36Å; V730-L784 HydrophobicContact CG1-CD1 3.73Å; V730-L784 HydrophobicContact CG1-CD2 4.48Å; V730-L784 HydrophobicContact CG1-CG 3.66Å; V730-L784 HydrophobicContact CG2-CD2 3.97Å; V730-L784 HydrophobicContact CG2-CG 3.79Å
731V91.2Very high84.9Confident0 Ų051.4 Ų51.40%030%0.297CS..EExtended strand (participates in β ladder)trans-143149.3177.1-640000109.7I721 Q729 F733 V769 L771 V778 G782I721-V731 HydrophobicContact CG2-CB 3.87Å; I721-V731 HydrophobicContact CG2-CG1 4.1Å; Q729-V731 WeakPolarHBondContact CG-O 3.31Å; Q729-V731 PolarHBondContact NE2-O 3.22Å; V731-F733 HydrophobicContact CG2-CE2 4.32Å; V731-F733 HydrophobicContact CG2-CZ 4.17Å; V731-V769 HydrophobicContact CG1-CG1 4.45Å; V731-V769 HydrophobicContact CG2-CG2 4.43Å; V731-L771 HydrophobicContact CG1-CD1 3.82Å; V731-V778 HydrophobicContact CG2-CG1 4.17Å; V731-V778 HydrophobicContact CG2-CG2 4.02Å; V731-G782 PolarHBondContact N-O 2.9Å; V731-G782 VanDerWaalsContact O-CA 3.28Å; V731-G782 WeakPolarHBondContact O-CA 3.42Å
732H90.3Very high83.4Confident38 Ų3855.6 Ų55.618%0.17633%0.326CS..EExtended strand (participates in β ladder)trans-113.7127.9170.3-179.682.5000109.2I721 S722 T746I721-H732 WeakPolarHBondContact CA-O 3.36Å; S722-H732 PolarHBondContact N-O 2.83Å; S722-H732 PolarHBondContact O-N 3.01Å; S722-H732 WeakPolarHBondContact OG-CB 3.49Å; S722-H732 PolarHBondContact OG-CD2 2.94Å; H732-T746 PolarHBondContact NE2-OG1 3.32Å
733F90.6Very high81.6Confident12 Ų1257.8 Ų57.85%0.05334%0.342CS..EExtended strand (participates in β ladder)trans-88.3112.9177.5-62.6-74.7000109.9L707 I721 V731 T735 V759 V767 V769 V778L707-F733 HydrophobicContact CD1-CD1 4.38Å; L707-F733 HydrophobicContact CD1-CG 4.34Å; I721-F733 HydrophobicContact CD1-CD1 4.45Å; I721-F733 HydrophobicContact CD1-CE1 4.31Å; I721-F733 HydrophobicContact CG1-CD1 4.11Å; I721-F733 HydrophobicContact CG1-CE1 4.44Å; V731-F733 HydrophobicContact CG2-CE2 4.32Å; V731-F733 HydrophobicContact CG2-CZ 4.17Å; F733-T735 HydrophobicContact CB-CG2 3.78Å; F733-T735 PolarHBondContact O-N 2.76Å; F733-T735 VanDerWaalsContact O-N 3.13Å; F733-V759 HydrophobicContact CE1-CG1 4.14Å; F733-V767 HydrophobicContact CE1-CG1 4.04Å; F733-V767 HydrophobicContact CZ-CB 4.03Å; F733-V767 HydrophobicContact CZ-CG1 3.73Å; F733-V767 HydrophobicContact CZ-CG2 4.44Å; F733-V769 HydrophobicContact CE1-CG2 3.7Å; F733-V769 HydrophobicContact CZ-CG2 3.68Å; F733-V778 HydrophobicContact CE2-CG2 3.99Å; F733-V778 HydrophobicContact CZ-CG2 3.66Å
734E88.6Confident79.7Confident13 Ų1363.5 Ų63.56%0.06136%0.358CS..EExtended strand (participates in β ladder)trans-75.9102.7170-64.5179.3-143.100108.2C718 V719 A720C718-E734 WeakPolarHBondContact CA-O 3.34Å; V719-E734 HydrophobicContact CG2-CB 4.44Å; V719-E734 PolarHBondContact N-O 2.84Å; A720-E734 HydrophobicContact CB-CB 3.99Å; A720-E734 HydrophobicContact CB-CG 4.22Å; A720-E734 WeakPolarHBondContact CB-OE2 3.18Å; A720-E734 WeakPolarHBondContact O-CB 3.44Å; A720-E734 PolarHBondContact O-N 3.4Å
735T89.1Confident78.1Confident47 Ų4766.8 Ų66.829%0.28837%0.368SS..EExtended strand (participates in β ladder)trans-119.3149.5-172.6610000113.2L707 L716 V717 C718 F733L707-T735 HydrophobicContact CD1-CG2 4.24Å; L716-T735 HydrophobicContact CB-CG2 4.37Å; V717-T735 CarbonylContact O-C 3.57Å; V717-T735 VanDerWaalsContact O-CA 3.27Å; V717-T735 WeakPolarHBondContact O-CA 3.47Å; C718-T735 HydrophobicContact CB-CG2 4.07Å; F733-T735 HydrophobicContact CB-CG2 3.78Å; F733-T735 PolarHBondContact O-N 2.76Å; F733-T735 VanDerWaalsContact O-N 3.13Å
736I87.2Confident76.5Confident10 Ų1066.1 Ų66.15%0.05136%0.364CS..EExtended strand (participates in β ladder)trans-102.1120.7172.4-57.5163.4000108I675 F693 F695 V717 V719 L738I675-I736 HydrophobicContact CD1-CB 4.37Å; I675-I736 HydrophobicContact CD1-CD1 3.82Å; I675-I736 HydrophobicContact CD1-CG2 4.04Å; F693-I736 HydrophobicContact CD1-CG2 4.1Å; F693-I736 HydrophobicContact CE1-CG2 4.4Å; F695-I736 HydrophobicContact CD2-CD1 4.47Å; F695-I736 HydrophobicContact CE1-CD1 3.59Å; F695-I736 HydrophobicContact CE2-CD1 3.54Å; F695-I736 HydrophobicContact CZ-CD1 3.02Å; F695-I736 HydrophobicContact CZ-CG1 4.31Å; V717-I736 HydrophobicContact CB-CB 4.27Å; V717-I736 PolarHBondContact N-O 3.39Å; V717-I736 PolarHBondContact O-N 3.33Å; V719-I736 HydrophobicContact CG1-CD1 3.58Å; V719-I736 HydrophobicContact CG1-CG1 4.32Å; I736-L738 HydrophobicContact CG2-CD2 4.24Å; I736-L738 PolarHBondContact O-N 2.97Å
737N87.6Confident74.6Confident50 Ų5068.6 Ų68.627%0.26738%0.375SS..EExtended strand (participates in β ladder)trans-86.998.2177-171.8-10.5000111.1L716 N739 S740L716-N737 HydrophobicContact CD2-CB 3.77Å; N737-N739 PolarHBondContact O-N 3.47Å; N737-N739 WeakPolarHBondContact OD1-CA 3.28Å; N737-N739 VanDerWaalsContact OD1-CB 3.23Å; N737-N739 WeakPolarHBondContact OD1-CB 3.36Å; N737-N739 PolarHBondContact OD1-N 3.08Å; N737-N739 PolarHBondContact OD1-ND2 3.15Å; N737-N739 VanDerWaalsContact OD1-ND2 3.16Å; N737-S740 PolarHBondContact O-N 3.2Å
738L86.6Confident72.9Confident2 Ų262.1 Ų62.11%0.0136%0.355CS..THydrogen-bonded Turntrans-68.6-9.5177.7-65.8-178.7000113.9I675 L677 K691 F693 V717 I736I675-L738 HydrophobicContact CD1-CD2 3.75Å; I675-L738 HydrophobicContact CG1-CD2 4.34Å; L677-L738 HydrophobicContact CB-CD1 4.04Å; L677-L738 HydrophobicContact CD1-CD1 3.88Å; L677-L738 HydrophobicContact CD2-CD1 3.76Å; L677-L738 HydrophobicContact CG-CD1 4.08Å; K691-L738 WeakPolarHBondContact CD-O 3.47Å; K691-L738 PolarHBondContact NZ-O 3.47Å; F693-L738 HydrophobicContact CB-CD2 4.26Å; V717-L738 HydrophobicContact CG2-CD1 3.64Å; V717-L738 HydrophobicContact CG2-CG 4.13Å; I736-L738 HydrophobicContact CG2-CD2 4.24Å; I736-L738 PolarHBondContact O-N 2.97Å
739N84.9Confident71.4Confident47 Ų4762.9 Ų62.925%0.25135%0.348SS..THydrogen-bonded Turntrans-85.4-21.1178.2-55.7-85.2000112.4Q712 E713 Y714 N737Q712-N739 PolarHBondContact OE1-ND2 3.04Å; E713-N739 WeakPolarHBondContact CB-OD1 3.43Å; E713-N739 PolarHBondContact N-OD1 3.39Å; E713-N739 VanDerWaalsContact N-OD1 3.17Å; Y714-N739 WeakPolarHBondContact CD2-OD1 3.27Å; Y714-N739 PolarHBondContact N-OD1 3.08Å; Y714-N739 PolarHBondContact O-ND2 3.24Å; N737-N739 PolarHBondContact O-N 3.47Å; N737-N739 WeakPolarHBondContact OD1-CA 3.28Å; N737-N739 VanDerWaalsContact OD1-CB 3.23Å; N737-N739 WeakPolarHBondContact OD1-CB 3.36Å; N737-N739 PolarHBondContact OD1-N 3.08Å; N737-N739 PolarHBondContact OD1-ND2 3.15Å; N737-N739 VanDerWaalsContact OD1-ND2 3.16Å
740S79.5Confident69.7Low51 Ų5167.7 Ų67.736%0.35738%0.379SS..SBendtrans-92.8152.7178.7-76.10000112.5N737 S742N737-S740 PolarHBondContact O-N 3.2Å; S740-S742 VanDerWaalsContact C-N 3.34Å
741C59Low68.1Low138 Ų13873.2 Ų73.293%0.93241%0.407SS*.SBendtrans-86.7-6173.1-65.90000113.2
742S56.6Low66.8Low91 Ų9177.4 Ų77.464%0.63643%0.427SS*.  trans-126.2119.5178.154.10000108.8S740 W744S740-S742 VanDerWaalsContact C-N 3.34Å; S742-W744 PolarHBondContact O-N 2.9Å
743S50.6Low65.9Low53 Ų5380.8 Ų80.837%0.37144%0.442SS..  trans-93.891.8168.6-690000108.3F693F693-S743 WeakPolarHBondContact CE1-OG 3.45Å; F693-S743 WeakPolarHBondContact CE2-OG 3.42Å; F693-S743 WeakPolarHBondContact CZ-OG 3.33Å
744W47.1Very low65.4Low238 Ų23882.6 Ų82.690%0.90246%0.455SS*.  trans-87.6115.9160.8-161-86.4000106S742 T746S742-W744 PolarHBondContact O-N 2.9Å; W744-T746 PolarHBondContact O-N 3.46Å
745F50.9Low64.9Low87 Ų8786.5 Ų86.538%0.38248%0.476SS..  trans-50.6130.6163.5-96.9-96.1000107.7E747 A748F745-E747 PolarHBondContact O-N 2.9Å; F745-A748 HydrophobicContact CD1-CB 3.77Å; F745-A748 HydrophobicContact CE1-CB 4.08Å; F745-A748 HydrophobicContact CG-CB 4.4Å
746T46.5Very low64.5Low86 Ų8684.4 Ų84.453%0.52846%0.463SS..SBendtrans-64.391.5152.737.10000106H732 W744H732-T746 PolarHBondContact NE2-OG1 3.32Å; W744-T746 PolarHBondContact O-N 3.46Å
747E44.6Very low64.2Low165 Ų16586.7 Ų86.777%0.77148%0.475SS*.  trans30.990169.5-66.3178.3161.900115.3F745 T749F745-E747 PolarHBondContact O-N 2.9Å; E747-T749 VanDerWaalsContact C-N 3.33Å; E747-T749 PolarHBondContact O-N 2.78Å
748A42.5Very low64.2Low57 Ų5786.7 Ų86.747%0.47147%0.473SS..  trans-68.591.1169.800000109.9F745 T750F745-A748 HydrophobicContact CD1-CB 3.77Å; F745-A748 HydrophobicContact CE1-CB 4.08Å; F745-A748 HydrophobicContact CG-CB 4.4Å; A748-T750 PolarHBondContact O-N 3.25Å
749T49.4Very low64.3Low73 Ų7386.7 Ų86.745%0.44847%0.473SS..  trans-83.9100162.8480000107.7E747 D751 Q752E747-T749 VanDerWaalsContact C-N 3.33Å; E747-T749 PolarHBondContact O-N 2.78Å; T749-D751 PolarHBondContact O-N 3.37Å; T749-Q752 PolarHBondContact O-N 3.05Å
750T52.9Low64.6Low123 Ų12386.5 Ų86.576%0.75547%0.474SS*.THydrogen-bonded Turntrans-59.1-9.2178.835.20000114.5A748A748-T750 PolarHBondContact O-N 3.25Å
751D54.3Low65.2Low156 Ų15686.2 Ų86.283%0.83447%0.467SS*.THydrogen-bonded Turntrans-92.80.7-174.7-78.5-9.5000115.2T749T749-D751 PolarHBondContact O-N 3.37Å
752Q64.3Low66.4Low89 Ų8982 Ų8242%0.41644%0.435SS..  trans-132.421.6-175.6-65.4-176-400115.5S722 Q723 T749 V754S722-Q752 WeakPolarHBondContact CA-O 3.46Å; S722-Q752 WeakPolarHBondContact CB-O 3.34Å; Q723-Q752 HydrophobicContact CB-CB 4.49Å; Q723-Q752 PolarHBondContact N-O 2.72Å; T749-Q752 PolarHBondContact O-N 3.05Å; Q752-V754 PolarHBondContact O-N 2.86Å
753Q71.4Confident67.7Low108 Ų10883 Ų8351%0.50543%0.43SS..BIsolated β-bridgetrans-67.1133.9175-84.6-172.5-7.400111.8
754V79.4Confident69.3Low51 Ų5187 Ų8731%0.30944%0.437SS..  trans-98.9139.2175.5-171.70000108.3I721 Q723 Q752 A756 L771I721-V754 PolarHBondContact O-N 3.43Å; Q723-V754 HydrophobicContact CB-CG2 4.15Å; Q752-V754 PolarHBondContact O-N 2.86Å; V754-A756 VanDerWaalsContact C-N 3.27Å; V754-A756 PolarHBondContact O-N 3.11Å; V754-L771 HydrophobicContact CG1-CD1 4.33Å; V754-L771 HydrophobicContact CG1-CD2 3.81Å; V754-L771 HydrophobicContact CG1-CG 4.48Å
755D77.8Confident71.2Confident94 Ų9478.2 Ų78.250%0.50341%0.407SS..  trans-75.379.2178.8-155.44.9000111.3K702K702-D755 VanDerWaalsContact CD-OD1 3.24Å; K702-D755 WeakPolarHBondContact CD-OD1 3.35Å; K702-D755 WeakPolarHBondContact CE-OD1 3.23Å; K702-D755 IonicContact NZ-OD1 2.87Å; K702-D755 PolarHBondContact NZ-OD1 3.32Å; K702-D755 IonicContact NZ-OD2 3.57Å; K702-D755 PolarHBondContact NZ-OD2 3.4Å; K702-D755 VanDerWaalsContact NZ-OD2 3.08Å
756A81.1Confident73.1Confident4 Ų474.4 Ų74.43%0.03339%0.391CS..EExtended strand (participates in β ladder)trans-78.2126.3176.700000111V703 I721 V754 C770 L771V703-A756 HydrophobicContact CG2-CB 3.89Å; I721-A756 HydrophobicContact CB-CB 3.99Å; I721-A756 HydrophobicContact CD1-CB 3.35Å; I721-A756 HydrophobicContact CG1-CB 4.11Å; V754-A756 VanDerWaalsContact C-N 3.27Å; V754-A756 PolarHBondContact O-N 3.11Å; A756-C770 WeakPolarHBondContact CA-O 3.47Å; A756-L771 HydrophobicContact CB-CD2 3.74Å
757I82.3Confident75.2Confident58 Ų5870.3 Ų70.330%0.29737%0.366SS..EExtended strand (participates in β ladder)trans-83.9-42-177.5-62.8153.4000110.6C770 D772 I800I757-C770 HydrophobicContact CB-CB 4.35Å; I757-C770 PolarHBondContact N-O 3.08Å; I757-D772 WeakPolarHBondContact CD1-O 3.45Å; I757-I800 HydrophobicContact CD1-CB 4.04Å; I757-I800 WeakPolarHBondContact CD1-O 3.3Å
758H85.6Confident77.5Confident50 Ų5062.4 Ų62.423%0.23133%0.329CS..EExtended strand (participates in β ladder)trans-153.8143.4-174.3-169.964.5000111.5T760 C770H758-T760 PolarHBondContact CE1-OG1 3.35Å; H758-T760 PolarHBondContact NE2-OG1 3.49Å; H758-C770 HydrophobicContact CB-CB 4.08Å; H758-C770 PolarHBondContact O-N 3.33Å
759V90.6Very high80Confident1 Ų159.7 Ų59.71%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-132.6127.5175.2-1760000107.9V703 E705 I721 F733 V767 L768V703-V759 HydrophobicContact CG1-CB 4.39Å; V703-V759 HydrophobicContact CG1-CG2 3.8Å; V703-V759 HydrophobicContact CG2-CG2 4.4Å; E705-V759 HydrophobicContact CB-CB 4.44Å; E705-V759 HydrophobicContact CG-CB 4.1Å; E705-V759 WeakPolarHBondContact CG-O 3.49Å; I721-V759 HydrophobicContact CD1-CG2 3.2Å; I721-V759 HydrophobicContact CG1-CG2 4.33Å; F733-V759 HydrophobicContact CE1-CG1 4.14Å; V759-V767 HydrophobicContact CG1-CG1 3.58Å; V759-L768 WeakPolarHBondContact CA-O 3.49Å
760T90.3Very high82Confident44 Ų4456.2 Ų56.227%0.2729%0.285SS..EExtended strand (participates in β ladder)trans-141.1131.7174-82.70000109.6H758 L762 L768H758-T760 PolarHBondContact CE1-OG1 3.35Å; H758-T760 PolarHBondContact NE2-OG1 3.49Å; T760-L762 HydrophobicContact CG2-CD2 4.06Å; T760-L768 PolarHBondContact N-O 3.41Å; T760-L768 PolarHBondContact O-N 3.21Å
761Q91.3Very high83.7Confident44 Ų4451.2 Ų51.221%0.20625%0.254CS..EExtended strand (participates in β ladder)trans-81.1118.2171.6-172.6174.513.600109.6L707 V708 E763 R764 T766 V767L707-Q761 HydrophobicContact CD2-CB 4.26Å; V708-Q761 PolarHBondContact O-NE2 2.81Å; Q761-E763 VanDerWaalsContact CG-O 3.22Å; Q761-E763 WeakPolarHBondContact CG-O 3.46Å; Q761-E763 PolarHBondContact NE2-O 3.49Å; Q761-R764 PolarHBondContact NE2-O 3.49Å; Q761-T766 CarbonylContact C-O 3.6Å; Q761-V767 HydrophobicContact CB-CG2 4.5Å; Q761-V767 HydrophobicContact CG-CG2 4.33Å
762L85.8Confident85.3Confident50 Ų5047.9 Ų47.926%0.26224%0.236SC..EExtended strand (participates in β ladder)trans-88.1-44.3-178.9-59.7179.3000111.8T760 T766 L768 C805T760-L762 HydrophobicContact CG2-CD2 4.06Å; L762-T766 HydrophobicContact CB-CG2 4.36Å; L762-T766 HydrophobicContact CD1-CG2 4.42Å; L762-T766 PolarHBondContact N-O 3.44Å; L762-L768 HydrophobicContact CD1-CB 3.97Å; L762-L768 HydrophobicContact CD1-CD1 4.21Å; L762-L768 HydrophobicContact CD2-CB 4.5Å; L762-L768 HydrophobicContact CG-CB 4.11Å; L762-C805 HydrophobicContact CD2-CB 3.78Å
763E83.4Confident86.6Confident113 Ų11347.3 Ų47.353%0.52823%0.232SC..EExtended strand (participates in β ladder)trans-136.9-179.4-178.2-54.6-179.117200111Q761 D765 T766Q761-E763 VanDerWaalsContact CG-O 3.22Å; Q761-E763 WeakPolarHBondContact CG-O 3.46Å; Q761-E763 PolarHBondContact NE2-O 3.49Å; E763-D765 PolarHBondContact O-N 2.91Å; E763-D765 VanDerWaalsContact O-N 3.08Å; E763-T766 PolarHBondContact N-O 3.48Å; E763-T766 PolarHBondContact O-N 2.91Å
764R84.4Confident87.5Confident137 Ų13744.5 Ų44.552%0.51722%0.221SC..THydrogen-bonded Turntrans-42.3-47.9179169169.4-79.9146.2-15113.6Y661 P710 Q761Y661-R764 WeakPolarHBondContact OH-CA 3.39Å; Y661-R764 WeakPolarHBondContact OH-CB 3.41Å; Y661-R764 WeakPolarHBondContact OH-CG 3.3Å; Y661-R764 PolarHBondContact OH-NE 3.36Å; P710-R764 HydrophobicContact CG-CG 3.68Å; Q761-R764 PolarHBondContact NE2-O 3.49Å
765D86.8Confident88.1Confident53 Ų5342.1 Ų42.128%0.28321%0.206SC..THydrogen-bonded Turntrans-134.144.2-178.3-175.240.3000109.7E763 N779 L780 K785E763-D765 PolarHBondContact O-N 2.91Å; E763-D765 VanDerWaalsContact O-N 3.08Å; D765-N779 WeakPolarHBondContact OD1-CB 3.3Å; D765-N779 WeakPolarHBondContact OD2-CB 3.48Å; D765-L780 WeakPolarHBondContact OD1-CB 3.27Å; D765-L780 WeakPolarHBondContact OD1-CG 3.32Å; D765-L780 PolarHBondContact OD1-N 3.1Å; D765-K785 VanDerWaalsContact O-CD 3.29Å; D765-K785 WeakPolarHBondContact O-CD 3.5Å; D765-K785 PolarHBondContact O-NZ 3.41Å
766T89.9Confident88.8Confident6 Ų639.5 Ų39.54%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-141.6116.3-179.2-58.20000109.4Q761 L762 E763 I777 V778 K785Q761-T766 CarbonylContact C-O 3.6Å; L762-T766 HydrophobicContact CB-CG2 4.36Å; L762-T766 HydrophobicContact CD1-CG2 4.42Å; L762-T766 PolarHBondContact N-O 3.44Å; E763-T766 PolarHBondContact N-O 3.48Å; E763-T766 PolarHBondContact O-N 2.91Å; T766-I777 HydrophobicContact CG2-CG2 3.48Å; T766-I777 VanDerWaalsContact CG2-CG2 3.48Å; T766-V778 WeakPolarHBondContact CA-O 3.41Å; T766-K785 HydrophobicContact CG2-CD 4.26Å; T766-K785 VanDerWaalsContact OG1-CD 3.26Å; T766-K785 WeakPolarHBondContact OG1-CD 3.39Å; T766-K785 PolarHBondContact OG1-NZ 2.99Å
767V92.3Very high89.3Confident0 Ų039.6 Ų39.60%019%0.19CC..EExtended strand (participates in β ladder)trans-120.8128.2-177.9-173.80000107.8L707 F733 V759 Q761 V769 V778 L780L707-V767 HydrophobicContact CD2-CG1 4.31Å; L707-V767 HydrophobicContact CD2-CG2 4.23Å; F733-V767 HydrophobicContact CE1-CG1 4.04Å; F733-V767 HydrophobicContact CZ-CB 4.03Å; F733-V767 HydrophobicContact CZ-CG1 3.73Å; F733-V767 HydrophobicContact CZ-CG2 4.44Å; V759-V767 HydrophobicContact CG1-CG1 3.58Å; Q761-V767 HydrophobicContact CB-CG2 4.5Å; Q761-V767 HydrophobicContact CG-CG2 4.33Å; V767-V769 HydrophobicContact CG1-CG2 4.06Å; V767-V778 HydrophobicContact CB-CG2 4.14Å; V767-V778 PolarHBondContact N-O 3.18Å; V767-V778 WeakPolarHBondContact O-CG2 3.4Å; V767-V778 PolarHBondContact O-N 2.96Å; V767-L780 HydrophobicContact CG2-CD2 3.83Å
768L92.8Very high89.8Confident0 Ų036.8 Ų36.80%018%0.176CC..EExtended strand (participates in β ladder)trans-89.8126.2170.3-176.6145.8000108.5V759 T760 L762 V775 V803 C805 V810 F823V759-L768 WeakPolarHBondContact CA-O 3.49Å; T760-L768 PolarHBondContact N-O 3.41Å; T760-L768 PolarHBondContact O-N 3.21Å; L762-L768 HydrophobicContact CD1-CB 3.97Å; L762-L768 HydrophobicContact CD1-CD1 4.21Å; L762-L768 HydrophobicContact CD2-CB 4.5Å; L762-L768 HydrophobicContact CG-CB 4.11Å; L768-V775 HydrophobicContact CD1-CG1 3.55Å; L768-V775 HydrophobicContact CD2-CG1 3.76Å; L768-V775 HydrophobicContact CG-CG1 3.5Å; L768-V803 HydrophobicContact CD2-CG1 4.42Å; L768-C805 VanDerWaalsContact CD1-SG 3.58Å; L768-V810 HydrophobicContact CD1-CG2 4.41Å; L768-F823 HydrophobicContact CD1-CE1 3.92Å; L768-F823 HydrophobicContact CD1-CZ 3.98Å
769V93.3Very high90.1Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-122.2119.2178.7-176.60000108.8I721 V731 F733 V767 L771 K776 V778I721-V769 HydrophobicContact CD1-CG1 3.57Å; V731-V769 HydrophobicContact CG1-CG1 4.45Å; V731-V769 HydrophobicContact CG2-CG2 4.43Å; F733-V769 HydrophobicContact CE1-CG2 3.7Å; F733-V769 HydrophobicContact CZ-CG2 3.68Å; V767-V769 HydrophobicContact CG1-CG2 4.06Å; V769-L771 HydrophobicContact CG1-CD2 3.64Å; V769-L771 HydrophobicContact CG1-CG 3.93Å; V769-K776 PolarHBondContact N-O 3.13Å; V769-K776 PolarHBondContact O-N 3.21Å; V769-V778 HydrophobicContact CG2-CG2 3.81Å
770C91.8Very high90.1Very high0 Ų037.1 Ų37.10%018%0.179CC..EExtended strand (participates in β ladder)trans-96.3119.7176.4-177.70000110.2A756 I757 H758 V775 V803A756-C770 WeakPolarHBondContact CA-O 3.47Å; I757-C770 HydrophobicContact CB-CB 4.35Å; I757-C770 PolarHBondContact N-O 3.08Å; H758-C770 HydrophobicContact CB-CB 4.08Å; H758-C770 PolarHBondContact O-N 3.33Å; C770-V775 HydrophobicContact CB-CG2 4.37Å; C770-V803 HydrophobicContact CB-CG2 3.9Å; C770-V803 VanDerWaalsContact SG-CG2 3.52Å
771L89.4Confident90Very high18 Ų1840 Ų409%0.09419%0.189CC..EExtended strand (participates in β ladder)trans-126.1107.5-177.7-55.1177.6000109.4V731 V754 A756 V769 K773 N774 K776V731-L771 HydrophobicContact CG1-CD1 3.82Å; V754-L771 HydrophobicContact CG1-CD1 4.33Å; V754-L771 HydrophobicContact CG1-CD2 3.81Å; V754-L771 HydrophobicContact CG1-CG 4.48Å; A756-L771 HydrophobicContact CB-CD2 3.74Å; V769-L771 HydrophobicContact CG1-CD2 3.64Å; V769-L771 HydrophobicContact CG1-CG 3.93Å; L771-K773 PolarHBondContact O-N 3.31Å; L771-N774 PolarHBondContact N-O 3.43Å; L771-N774 PolarHBondContact O-N 2.86Å; L771-K776 HydrophobicContact CD1-CD 4.03Å
772D88.1Confident90Very high85 Ų8537.9 Ų37.946%0.45518%0.179SC..THydrogen-bonded Turntrans47.2-94.8179.8-172.924.7000114.1I757 C799 I800I757-D772 WeakPolarHBondContact CD1-O 3.45Å; D772-C799 PolarHBondContact OD1-SG 2.67Å; D772-I800 VanDerWaalsContact O-CB 3.29Å; D772-I800 WeakPolarHBondContact O-CB 3.39Å; D772-I800 WeakPolarHBondContact O-CG1 3.28Å; D772-I800 PolarHBondContact O-N 3.18Å
773K91Very high90.3Very high77 Ų7738.9 Ų38.934%0.33518%0.182SC..THydrogen-bonded Turntrans-101.41.9179.8-57.2-159.4176.7-168.50115L771 F796 D797 F798L771-K773 PolarHBondContact O-N 3.31Å; K773-F796 PolarHBondContact O-N 2.99Å; K773-D797 PolarHBondContact NZ-O 3.19Å; K773-F798 WeakPolarHBondContact CG-O 3.43Å
774N90.9Very high90.6Very high50 Ų5036.5 Ų36.527%0.26717%0.172SC..EExtended strand (participates in β ladder)trans-127.4144.2-172.4-61-70.2000111.4L771 L794 S795L771-N774 PolarHBondContact N-O 3.43Å; L771-N774 PolarHBondContact O-N 2.86Å; N774-L794 CarbonylContact C-O 3.57Å; N774-L794 WeakPolarHBondContact CA-O 3.5Å; N774-S795 WeakPolarHBondContact OD1-CA 3.45Å; N774-S795 VanDerWaalsContact OD1-CB 3.23Å; N774-S795 WeakPolarHBondContact OD1-CB 3.38Å
775V92.4Very high90.6Very high0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-112.2120.3168.4174.30000107.5L768 C770 E793 L794 F796 I800 V803L768-V775 HydrophobicContact CD1-CG1 3.55Å; L768-V775 HydrophobicContact CD2-CG1 3.76Å; L768-V775 HydrophobicContact CG-CG1 3.5Å; C770-V775 HydrophobicContact CB-CG2 4.37Å; V775-E793 WeakPolarHBondContact O-CA 3.47Å; V775-L794 HydrophobicContact CB-CB 4.3Å; V775-L794 PolarHBondContact N-O 3.11Å; V775-L794 PolarHBondContact O-N 3.17Å; V775-F796 HydrophobicContact CB-CE2 4.34Å; V775-F796 HydrophobicContact CG2-CE2 3.81Å; V775-I800 HydrophobicContact CG2-CD1 3.88Å; V775-V803 HydrophobicContact CG2-CG2 4.48Å
776K91.6Very high89.9Confident40 Ų4036 Ų3617%0.17419%0.186CC..EExtended strand (participates in β ladder)trans-110135-179.6-60.5-168.9-179.1-159.10110.2V730 V769 L771 V778 L784 E793V730-K776 HydrophobicContact CB-CD 4.45Å; V730-K776 HydrophobicContact CG2-CD 4.22Å; V769-K776 PolarHBondContact N-O 3.13Å; V769-K776 PolarHBondContact O-N 3.21Å; L771-K776 HydrophobicContact CD1-CD 4.03Å; K776-V778 HydrophobicContact CB-CG1 4.29Å; K776-L784 HydrophobicContact CB-CD2 4.19Å; K776-E793 WeakPolarHBondContact CE-OE1 3.46Å; K776-E793 HydrophobicContact CG-CG 4.36Å; K776-E793 IonicContact NZ-OE1 3.3Å
777I91.8Very high88.9Confident5 Ų539.4 Ų39.43%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-102.2111.6173.9-60.2-178000108.2T766 K785 A791 S792 F823T766-I777 HydrophobicContact CG2-CG2 3.48Å; T766-I777 VanDerWaalsContact CG2-CG2 3.48Å; I777-K785 HydrophobicContact CG2-CB 4.46Å; I777-K785 PolarHBondContact O-N 3.5Å; I777-A791 WeakPolarHBondContact CD1-O 3.18Å; I777-S792 PolarHBondContact N-O 3.11Å; I777-F823 HydrophobicContact CD1-CD1 3.7Å; I777-F823 HydrophobicContact CD1-CE1 3.93Å
778V92.7Very high87.5Confident0 Ų050 Ų500%025%0.25CC..EExtended strand (participates in β ladder)trans-123.6162.1-174.3-59.30000111.7V730 V731 F733 T766 V767 V769 K776 K783 L784V730-V778 HydrophobicContact CG2-CG1 3.44Å; V730-V778 VanDerWaalsContact CG2-CG1 3.44Å; V731-V778 HydrophobicContact CG2-CG1 4.17Å; V731-V778 HydrophobicContact CG2-CG2 4.02Å; F733-V778 HydrophobicContact CE2-CG2 3.99Å; F733-V778 HydrophobicContact CZ-CG2 3.66Å; T766-V778 WeakPolarHBondContact CA-O 3.41Å; V767-V778 HydrophobicContact CB-CG2 4.14Å; V767-V778 PolarHBondContact N-O 3.18Å; V767-V778 WeakPolarHBondContact O-CG2 3.4Å; V767-V778 PolarHBondContact O-N 2.96Å; V769-V778 HydrophobicContact CG2-CG2 3.81Å; K776-V778 HydrophobicContact CB-CG1 4.29Å; V778-K783 CarbonylContact C-O 3.57Å; V778-K783 WeakPolarHBondContact CA-O 3.36Å; V778-K783 WeakPolarHBondContact CB-O 3.42Å; V778-L784 HydrophobicContact CG1-CD2 4.17Å
779N91.9Very high86.2Confident26 Ų2657 Ų5714%0.13928%0.281CS..  trans-81.4178.9167.370.31.9000111.3D765 Q781 G782 K783 K785D765-N779 WeakPolarHBondContact OD1-CB 3.3Å; D765-N779 WeakPolarHBondContact OD2-CB 3.48Å; N779-Q781 VanDerWaalsContact CG-OE1 3.28Å; N779-Q781 PolarHBondContact ND2-OE1 2.93Å; N779-Q781 PolarHBondContact O-N 3.39Å; N779-Q781 VanDerWaalsContact O-N 3.16Å; N779-Q781 WeakPolarHBondContact OD1-CA 3.2Å; N779-Q781 PolarHBondContact OD1-N 3.27Å; N779-Q781 VanDerWaalsContact OD1-N 3.1Å; N779-G782 PolarHBondContact O-N 3.21Å; N779-G782 PolarHBondContact OD1-N 3.42Å; N779-K783 PolarHBondContact N-O 3.44Å; N779-K783 PolarHBondContact OD1-N 3.23Å; N779-K783 PolarHBondContact OD1-O 3.45Å; N779-K785 HydrophobicContact CB-CD 4.45Å; N779-K785 HydrophobicContact CB-CG 4.19Å
780L90.2Very high85.1Confident31 Ų3159.5 Ų59.516%0.16229%0.294CS..THydrogen-bonded Turntrans-64.5-17.1178.9-72.3169.3000113.6L707 V709 D765 V767 G782L707-L780 HydrophobicContact CB-CD2 4.18Å; L707-L780 HydrophobicContact CD1-CD2 4.35Å; V709-L780 HydrophobicContact CG2-CD1 4.33Å; D765-L780 WeakPolarHBondContact OD1-CB 3.27Å; D765-L780 WeakPolarHBondContact OD1-CG 3.32Å; D765-L780 PolarHBondContact OD1-N 3.1Å; V767-L780 HydrophobicContact CG2-CD2 3.83Å; L780-G782 VanDerWaalsContact C-N 3.34Å
781Q89.4Confident84.4Confident104 Ų10460.6 Ų60.649%0.48630%0.302SS..THydrogen-bonded Turntrans-890.2172.3-60.875.336.700112.6Q729 N779Q729-Q781 PolarHBondContact NE2-O 3.35Å; N779-Q781 VanDerWaalsContact CG-OE1 3.28Å; N779-Q781 PolarHBondContact ND2-OE1 2.93Å; N779-Q781 PolarHBondContact O-N 3.39Å; N779-Q781 VanDerWaalsContact O-N 3.16Å; N779-Q781 WeakPolarHBondContact OD1-CA 3.2Å; N779-Q781 PolarHBondContact OD1-N 3.27Å; N779-Q781 VanDerWaalsContact OD1-N 3.1Å
782G90.6Very high84Confident0 Ų061.3 Ų61.30%031%0.309CS..SBendtrans7619.2178.100000115.1V730 V731 N779 L780V730-G782 VanDerWaalsContact CG2-O 3.27Å; V730-G782 WeakPolarHBondContact CG2-O 3.41Å; V730-G782 PolarHBondContact N-O 3.05Å; V731-G782 PolarHBondContact N-O 2.9Å; V731-G782 VanDerWaalsContact O-CA 3.28Å; V731-G782 WeakPolarHBondContact O-CA 3.42Å; N779-G782 PolarHBondContact O-N 3.21Å; N779-G782 PolarHBondContact OD1-N 3.42Å; L780-G782 VanDerWaalsContact C-N 3.34Å
783K91.4Very high84Confident71 Ų7160.9 Ų60.931%0.30930%0.304SS..BIsolated β-bridgetrans-89.7141.2171.3-59.4-173.4177.81780109.7E726 Q729 V778 N779 K785E726-K783 IonicContact OE2-NZ 3.24Å; E726-K783 PolarHBondContact OE2-NZ 3.05Å; Q729-K783 HydrophobicContact CB-CG 4.27Å; V778-K783 CarbonylContact C-O 3.57Å; V778-K783 WeakPolarHBondContact CA-O 3.36Å; V778-K783 WeakPolarHBondContact CB-O 3.42Å; N779-K783 PolarHBondContact N-O 3.44Å; N779-K783 PolarHBondContact OD1-N 3.23Å; N779-K783 PolarHBondContact OD1-O 3.45Å; K783-K785 PolarHBondContact O-N 3.23Å
784L89.3Confident84Confident64 Ų6457.2 Ų57.234%0.33529%0.288SS..BIsolated β-bridgetrans-59.3132.5177.8-75.1170.9000110.6V730 K776 V778 S786 S792V730-L784 HydrophobicContact CB-CG 4.36Å; V730-L784 HydrophobicContact CG1-CD1 3.73Å; V730-L784 HydrophobicContact CG1-CD2 4.48Å; V730-L784 HydrophobicContact CG1-CG 3.66Å; V730-L784 HydrophobicContact CG2-CD2 3.97Å; V730-L784 HydrophobicContact CG2-CG 3.79Å; K776-L784 HydrophobicContact CB-CD2 4.19Å; V778-L784 HydrophobicContact CG1-CD2 4.17Å; L784-S786 PolarHBondContact O-N 3.48Å; L784-S792 WeakPolarHBondContact CD2-O 3.25Å
785K85.6Confident84Confident64 Ų6457.8 Ų57.828%0.27830%0.296SS..  trans-83109.8170.7-76.3-167.173.8168.30109.7D765 T766 I777 N779 K783 N787 S792D765-K785 VanDerWaalsContact O-CD 3.29Å; D765-K785 WeakPolarHBondContact O-CD 3.5Å; D765-K785 PolarHBondContact O-NZ 3.41Å; T766-K785 HydrophobicContact CG2-CD 4.26Å; T766-K785 VanDerWaalsContact OG1-CD 3.26Å; T766-K785 WeakPolarHBondContact OG1-CD 3.39Å; T766-K785 PolarHBondContact OG1-NZ 2.99Å; I777-K785 HydrophobicContact CG2-CB 4.46Å; I777-K785 PolarHBondContact O-N 3.5Å; N779-K785 HydrophobicContact CB-CD 4.45Å; N779-K785 HydrophobicContact CB-CG 4.19Å; K783-K785 PolarHBondContact O-N 3.23Å; K785-N787 PolarHBondContact O-N 2.87Å; K785-S792 WeakPolarHBondContact O-CB 3.34Å; K785-S792 PolarHBondContact O-OG 2.8Å
786S71.7Confident84Confident116 Ų11658.3 Ų58.381%0.81130%0.298SS*.  trans-79.6113.3165.5520000109.2L784L784-S786 PolarHBondContact O-N 3.48Å
787N68.4Low84Confident77 Ų7762.3 Ų62.341%0.41232%0.321SS..BIsolated β-bridgetrans-130.2131.6172.1-174.7-15.1000108.2K785 K789 L790K785-N787 PolarHBondContact O-N 2.87Å; N787-K789 PolarHBondContact O-N 3.15Å; N787-K789 PolarHBondContact OD1-N 3.4Å; N787-L790 HydrophobicContact CB-CB 4.22Å; N787-L790 PolarHBondContact O-N 3.16Å
788K62.7Low84Confident222 Ų22263.3 Ų63.397%0.96533%0.326SS*.THydrogen-bonded Turntrans-58.3-18.1175.6-68.6-174.1178.8-179.40113
789K64.9Low84Confident148 Ų14866.8 Ų66.864%0.64335%0.349SS*.THydrogen-bonded Turntrans-102.4-12.7-178.7-61.9-177.6-179.9177.90114.5N787 K824N787-K789 PolarHBondContact O-N 3.15Å; N787-K789 PolarHBondContact OD1-N 3.4Å; K789-K824 WeakPolarHBondContact O-CG 3.14Å
790L70.7Confident84Confident52 Ų5266 Ų6627%0.27235%0.345SS..BIsolated β-bridgetrans-135.7129.7-175.7-61.5167.2000110.6N787 S792 F823N787-L790 HydrophobicContact CB-CB 4.22Å; N787-L790 PolarHBondContact O-N 3.16Å; L790-S792 PolarHBondContact O-N 3.23Å; L790-F823 CarbonylContact C-O 3.49Å; L790-F823 WeakPolarHBondContact CA-O 3.45Å; L790-F823 HydrophobicContact CD2-CB 3.55Å; L790-F823 HydrophobicContact CD2-CG 4.42Å
791A77.5Confident84Confident22 Ų2267.1 Ų67.118%0.18236%0.364CS..  trans-64.3120.5171.400000109.8I777 E793 L794 F823 N826I777-A791 WeakPolarHBondContact CD1-O 3.18Å; A791-E793 PolarHBondContact O-N 3.14Å; A791-L794 HydrophobicContact CB-CD2 3.75Å; A791-F823 WeakPolarHBondContact CB-O 3.15Å; A791-F823 PolarHBondContact N-O 3.39Å; A791-N826 HydrophobicContact CB-CB 4.26Å
792S81.8Confident84Confident33 Ų3363.3 Ų63.323%0.23135%0.35CS..SBendtrans-69.2-22.2-179.3-48.60000113.1I777 L784 K785 L790I777-S792 PolarHBondContact N-O 3.11Å; L784-S792 WeakPolarHBondContact CD2-O 3.25Å; K785-S792 WeakPolarHBondContact O-CB 3.34Å; K785-S792 PolarHBondContact O-OG 2.8Å; L790-S792 PolarHBondContact O-N 3.23Å
793E87.9Confident84Confident77 Ų7763.6 Ų63.636%0.3635%0.352SS..EExtended strand (participates in β ladder)trans-145.2134.4-179.1-174.8164.6-152.100110.3V775 K776 A791V775-E793 WeakPolarHBondContact O-CA 3.47Å; K776-E793 WeakPolarHBondContact CE-OE1 3.46Å; K776-E793 HydrophobicContact CG-CG 4.36Å; K776-E793 IonicContact NZ-OE1 3.3Å; A791-E793 PolarHBondContact O-N 3.14Å
794L90.1Very high83.9Confident0 Ų060.6 Ų60.60%034%0.34CS..EExtended strand (participates in β ladder)trans-121.7118.2175.5-55.5171.4000107.8N774 V775 A791 F796 V810 F823 N826N774-L794 CarbonylContact C-O 3.57Å; N774-L794 WeakPolarHBondContact CA-O 3.5Å; V775-L794 HydrophobicContact CB-CB 4.3Å; V775-L794 PolarHBondContact N-O 3.11Å; V775-L794 PolarHBondContact O-N 3.17Å; A791-L794 HydrophobicContact CB-CD2 3.75Å; L794-F796 HydrophobicContact CB-CE2 4.12Å; L794-V810 HydrophobicContact CD1-CB 4.48Å; L794-V810 HydrophobicContact CD1-CG1 3.38Å; L794-F823 HydrophobicContact CD1-CD1 3.84Å; L794-F823 HydrophobicContact CD1-CE1 4.02Å; L794-N826 HydrophobicContact CD2-CB 3.8Å; L794-N826 WeakPolarHBondContact CD2-OD1 3.36Å
795S91.4Very high83.7Confident61 Ų6158.4 Ų58.443%0.42733%0.329SS..EExtended strand (participates in β ladder)trans-101.1143.5-179.355.80000111.4N774 K821N774-S795 WeakPolarHBondContact OD1-CA 3.45Å; N774-S795 VanDerWaalsContact OD1-CB 3.23Å; N774-S795 WeakPolarHBondContact OD1-CB 3.38Å; S795-K821 PolarHBondContact O-NZ 2.8Å
796F92.4Very high83.5Confident11 Ų1155.8 Ų55.85%0.04832%0.318CS..  trans-122150.5177.8-60.9-95.5000109K773 V775 L794 F798 I800 V810 A812 Q819 K821K773-F796 PolarHBondContact O-N 2.99Å; V775-F796 HydrophobicContact CB-CE2 4.34Å; V775-F796 HydrophobicContact CG2-CE2 3.81Å; L794-F796 HydrophobicContact CB-CE2 4.12Å; F796-F798 VanDerWaalsContact C-N 3.31Å; F796-F798 HydrophobicContact CB-CD2 4.28Å; F796-F798 HydrophobicContact CB-CE1 4.2Å; F796-F798 HydrophobicContact CB-CE2 3.98Å; F796-F798 HydrophobicContact CB-CZ 3.93Å; F796-F798 AromaticContact CD1-CE1 4Å; F796-F798 HydrophobicContact CD1-CE1 4Å; F796-F798 HydrophobicContact CD1-CE2 4Å; F796-F798 AromaticContact CD1-CZ 3.4Å; F796-F798 HydrophobicContact CD1-CZ 3.4Å; F796-F798 HydrophobicContact CE1-CZ 4.24Å; F796-F798 HydrophobicContact CG-CE2 4.19Å; F796-F798 AromaticContact CG-CZ 3.98Å; F796-F798 HydrophobicContact CG-CZ 3.98Å; F796-I800 HydrophobicContact CB-CG1 4.45Å; F796-I800 HydrophobicContact CD2-CD1 3.55Å; F796-I800 HydrophobicContact CD2-CG1 4.23Å; F796-I800 HydrophobicContact CE2-CD1 3.96Å; F796-I800 HydrophobicContact CG-CD1 4.18Å; F796-I800 HydrophobicContact CG-CG1 4.37Å; F796-V810 HydrophobicContact CZ-CG1 4.18Å; F796-A812 HydrophobicContact CD1-CB 3.88Å; F796-A812 HydrophobicContact CE1-CB 3.43Å; F796-A812 VanDerWaalsContact CE1-CB 3.43Å; F796-A812 HydrophobicContact CE2-CB 4.14Å; F796-A812 HydrophobicContact CG-CB 4.4Å; F796-A812 HydrophobicContact CZ-CB 3.57Å; F796-Q819 HydrophobicContact CD1-CB 4.5Å; F796-Q819 VanDerWaalsContact CD1-OE1 3.31Å; F796-Q819 HydrophobicContact CE1-CB 4.44Å; F796-K821 HydrophobicContact CD1-CD 4.31Å; F796-K821 HydrophobicContact CE1-CD 3.74Å; F796-K821 HydrophobicContact CE1-CG 3.86Å; F796-K821 HydrophobicContact CZ-CB 4.4Å; F796-K821 HydrophobicContact CZ-CD 3.9Å; F796-K821 HydrophobicContact CZ-CG 4.14Å
797D91.6Very high83.8Confident124 Ų12457.3 Ų57.366%0.66331%0.312SS*.SBendtrans-81.2-15.2178.357.7-18.5000112.6K773K773-D797 PolarHBondContact NZ-O 3.19Å
798F91.9Very high84.3Confident27 Ų2757.4 Ų57.412%0.11831%0.313CS..SBendtrans-108.4160.7175.855-99.6000113.1K773 F796 I800 A812 W814 Q819K773-F798 WeakPolarHBondContact CG-O 3.43Å; F796-F798 VanDerWaalsContact C-N 3.31Å; F796-F798 HydrophobicContact CB-CD2 4.28Å; F796-F798 HydrophobicContact CB-CE1 4.2Å; F796-F798 HydrophobicContact CB-CE2 3.98Å; F796-F798 HydrophobicContact CB-CZ 3.93Å; F796-F798 AromaticContact CD1-CE1 4Å; F796-F798 HydrophobicContact CD1-CE1 4Å; F796-F798 HydrophobicContact CD1-CE2 4Å; F796-F798 AromaticContact CD1-CZ 3.4Å; F796-F798 HydrophobicContact CD1-CZ 3.4Å; F796-F798 HydrophobicContact CE1-CZ 4.24Å; F796-F798 HydrophobicContact CG-CE2 4.19Å; F796-F798 AromaticContact CG-CZ 3.98Å; F796-F798 HydrophobicContact CG-CZ 3.98Å; F798-I800 HydrophobicContact CD2-CG1 4.41Å; F798-I800 HydrophobicContact CE2-CG1 4.1Å; F798-A812 HydrophobicContact CE2-CB 4.08Å; F798-A812 HydrophobicContact CZ-CB 4.18Å; F798-W814 HydrophobicContact CB-CB 4.43Å; F798-W814 HydrophobicContact CB-CG 4.35Å; F798-W814 HydrophobicContact CD1-CD2 4.05Å; F798-W814 AromaticContact CD1-CE3 3.77Å; F798-W814 HydrophobicContact CD1-CE3 3.77Å; F798-W814 HydrophobicContact CD1-CH2 4.45Å; F798-W814 AromaticContact CD1-CZ3 3.91Å; F798-W814 HydrophobicContact CD1-CZ3 3.91Å; F798-W814 HydrophobicContact CD2-CB 3.61Å; F798-W814 HydrophobicContact CD2-CD2 4.03Å; F798-W814 AromaticContact CD2-CE3 3.77Å; F798-W814 HydrophobicContact CD2-CE3 3.77Å; F798-W814 AromaticContact CD2-CG 3.97Å; F798-W814 HydrophobicContact CD2-CG 3.97Å; F798-W814 HydrophobicContact CE1-CD2 4.19Å; F798-W814 AromaticContact CE1-CE3 3.44Å; F798-W814 HydrophobicContact CE1-CE3 3.44Å; F798-W814 VanDerWaalsContact CE1-CE3 3.44Å; F798-W814 HydrophobicContact CE1-CH2 4.07Å; F798-W814 AromaticContact CE1-CZ3 3.3Å; F798-W814 HydrophobicContact CE1-CZ3 3.3Å; F798-W814 HydrophobicContact CE2-CB 4.11Å; F798-W814 HydrophobicContact CE2-CD2 4.15Å; F798-W814 AromaticContact CE2-CE3 3.42Å; F798-W814 HydrophobicContact CE2-CE3 3.42Å; F798-W814 VanDerWaalsContact CE2-CE3 3.42Å; F798-W814 HydrophobicContact CE2-CG 4.44Å; F798-W814 HydrophobicContact CE2-CZ3 4.06Å; F798-W814 HydrophobicContact CG-CB 4.11Å; F798-W814 AromaticContact CG-CD2 3.97Å; F798-W814 HydrophobicContact CG-CD2 3.97Å; F798-W814 AromaticContact CG-CE3 3.93Å; F798-W814 HydrophobicContact CG-CE3 3.93Å; F798-W814 HydrophobicContact CG-CG 4.03Å; F798-W814 HydrophobicContact CZ-CD2 4.22Å; F798-W814 AromaticContact CZ-CE3 3.24Å; F798-W814 HydrophobicContact CZ-CE3 3.24Å; F798-W814 AromaticContact CZ-CZ3 3.38Å; F798-W814 HydrophobicContact CZ-CZ3 3.38Å; F798-Q819 HydrophobicContact CE1-CB 3.87Å; F798-Q819 HydrophobicContact CZ-CB 3.79Å
799C91.5Very high85.5Confident72 Ų7247.1 Ų47.149%0.48627%0.269SS..  trans-74.5125169.4-62.80000109.8D772D772-C799 PolarHBondContact OD1-SG 2.67Å
800I92.5Very high86.7Confident10 Ų1040.1 Ų40.15%0.05124%0.238CC..  trans-76.2133.7-178.1-55.6167.5000108.5I757 D772 V775 F796 F798 A802 V803 A812I757-I800 HydrophobicContact CD1-CB 4.04Å; I757-I800 WeakPolarHBondContact CD1-O 3.3Å; D772-I800 VanDerWaalsContact O-CB 3.29Å; D772-I800 WeakPolarHBondContact O-CB 3.39Å; D772-I800 WeakPolarHBondContact O-CG1 3.28Å; D772-I800 PolarHBondContact O-N 3.18Å; V775-I800 HydrophobicContact CG2-CD1 3.88Å; F796-I800 HydrophobicContact CB-CG1 4.45Å; F796-I800 HydrophobicContact CD2-CD1 3.55Å; F796-I800 HydrophobicContact CD2-CG1 4.23Å; F796-I800 HydrophobicContact CE2-CD1 3.96Å; F796-I800 HydrophobicContact CG-CD1 4.18Å; F796-I800 HydrophobicContact CG-CG1 4.37Å; F798-I800 HydrophobicContact CD2-CG1 4.41Å; F798-I800 HydrophobicContact CE2-CG1 4.1Å; I800-A802 WeakPolarHBondContact CG2-O 3.47Å; I800-V803 HydrophobicContact CG2-CG2 3.53Å; I800-A812 HydrophobicContact CD1-CB 4.42Å; I800-A812 HydrophobicContact CG1-CB 4.26Å; I800-A812 HydrophobicContact CG2-CB 4.21Å
801G89.6Confident87.6Confident55 Ų5537.6 Ų37.657%0.56723%0.225SC*.SBendtrans-100.1-33.917400000113.1F813G801-F813 PolarHBondContact N-O 3.33Å
802A90.9Very high88.4Confident24 Ų2436.6 Ų36.620%0.19822%0.217CC..EExtended strand (participates in β ladder)trans-155.6160.2176.400000110.8I800 F813 L841I800-A802 WeakPolarHBondContact CG2-O 3.47Å; A802-F813 HydrophobicContact CB-CB 4.33Å; A802-F813 PolarHBondContact N-O 3.16Å; A802-F813 PolarHBondContact O-N 3.34Å; A802-L841 HydrophobicContact CB-CB 3.98Å; A802-L841 HydrophobicContact CB-CD2 3.82Å
803V90.9Very high88.9Confident5 Ų535.4 Ų35.43%0.0321%0.208CC..EExtended strand (participates in β ladder)trans-134.1141.2-179.1-175.20000110.2L768 C770 V775 I800 V810 L811L768-V803 HydrophobicContact CD2-CG1 4.42Å; C770-V803 HydrophobicContact CB-CG2 3.9Å; C770-V803 VanDerWaalsContact SG-CG2 3.52Å; V775-V803 HydrophobicContact CG2-CG2 4.48Å; I800-V803 HydrophobicContact CG2-CG2 3.53Å; V803-V810 HydrophobicContact CG1-CG2 3.12Å; V803-L811 CarbonylContact C-O 3.43Å; V803-L811 WeakPolarHBondContact CA-O 2.85Å
804V88.5Confident89.2Confident9 Ų933.2 Ų33.26%0.05520%0.196CC..EExtended strand (participates in β ladder)trans-122.8123.9167.1178.20000108.7L806 L811 F813 L841 V848V804-L806 HydrophobicContact CG1-CD2 4.1Å; V804-L811 HydrophobicContact CB-CB 4.33Å; V804-L811 PolarHBondContact N-O 3.31Å; V804-L811 PolarHBondContact O-N 3.41Å; V804-F813 HydrophobicContact CB-CE2 4.13Å; V804-F813 HydrophobicContact CG2-CD2 4.47Å; V804-F813 HydrophobicContact CG2-CE2 3.71Å; V804-L841 HydrophobicContact CG2-CD1 4.07Å; V804-L841 HydrophobicContact CG2-CD2 3.64Å; V804-V848 HydrophobicContact CG1-CG2 3.98Å; V804-V848 HydrophobicContact CG2-CG1 4.37Å
805C85.4Confident89.2Confident17 Ų1739.2 Ų39.212%0.11522%0.222CC..EExtended strand (participates in β ladder)trans-87.6123.8176.9-56.60000109.6L762 L768L762-C805 HydrophobicContact CD2-CB 3.78Å; L768-C805 VanDerWaalsContact CD1-SG 3.58Å
806L81.5Confident89.3Confident10 Ų1038.4 Ų38.45%0.05221%0.212CC..  trans-102.5178.2170.3-53.7-179.9000109.2F344 V804 D808 S809 L811F344-L806 HydrophobicContact CE1-CD1 4.21Å; V804-L806 HydrophobicContact CG1-CD2 4.1Å; L806-D808 PolarHBondContact O-N 2.91Å; L806-S809 CarbonylContact C-O 3.55Å; L806-S809 WeakPolarHBondContact CA-O 3.46Å; L806-S809 WeakPolarHBondContact CB-O 3.37Å; L806-S809 PolarHBondContact N-O 3.44Å; L806-L811 HydrophobicContact CD1-CD1 3.94Å; L806-L811 HydrophobicContact CD1-CD2 4.18Å; L806-L811 HydrophobicContact CD1-CG 3.82Å; L806-L811 HydrophobicContact CG-CD1 4.47Å; L806-L811 HydrophobicContact CG-CG 4.28Å
807H76.7Confident89.2Confident147 Ų14738 Ų3868%0.68121%0.21SC*.SBendtrans-63.6-39.4-176179-94.8000112.9
808D80.4Confident89.2Confident80 Ų8032.2 Ų32.243%0.42818%0.179SC..SBendtrans-122.7-0.7-173.869.5-17000114.1L806 S822 F823L806-D808 PolarHBondContact O-N 2.91Å; D808-S822 PolarHBondContact O-OG 3.11Å; D808-F823 VanDerWaalsContact C-CD2 3.4Å; D808-F823 PolarHBondContact O-N 3.49Å
809S86.8Confident89.2Confident6 Ų631.5 Ų31.54%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-152.5165.8-171.351.90000112L806 K821 F823L806-S809 CarbonylContact C-O 3.55Å; L806-S809 WeakPolarHBondContact CA-O 3.46Å; L806-S809 WeakPolarHBondContact CB-O 3.37Å; L806-S809 PolarHBondContact N-O 3.44Å; S809-K821 CarbonylContact C-O 3.53Å; S809-K821 WeakPolarHBondContact CA-O 3.48Å; S809-K821 VanDerWaalsContact CB-O 3.25Å; S809-K821 WeakPolarHBondContact CB-O 3.49Å; S809-F823 VanDerWaalsContact C-CE2 3.48Å; S809-F823 VanDerWaalsContact N-CD2 3.34Å; S809-F823 WeakPolarHBondContact O-CE2 3.49Å
810V90Very high89.1Confident0 Ų028 Ų280%015%0.153CC..EExtended strand (participates in β ladder)trans-123133.3174.167.40000109.4L768 L794 F796 V803 G820 K821 F823L768-V810 HydrophobicContact CD1-CG2 4.41Å; L794-V810 HydrophobicContact CD1-CB 4.48Å; L794-V810 HydrophobicContact CD1-CG1 3.38Å; F796-V810 HydrophobicContact CZ-CG1 4.18Å; V803-V810 HydrophobicContact CG1-CG2 3.12Å; V810-G820 CarbonylContact O-C 3.57Å; V810-G820 VanDerWaalsContact O-CA 3.23Å; V810-G820 WeakPolarHBondContact O-CA 3.22Å; V810-K821 HydrophobicContact CG1-CB 4.34Å; V810-K821 PolarHBondContact N-O 2.95Å; V810-K821 PolarHBondContact O-N 3.08Å; V810-F823 HydrophobicContact CB-CE1 3.87Å; V810-F823 HydrophobicContact CB-CZ 3.79Å; V810-F823 HydrophobicContact CG1-CE1 4.26Å
811L91.1Very high89Confident0 Ų028.6 Ų28.60%016%0.155CC..EExtended strand (participates in β ladder)trans-97.9113.9171.1-57.9-178000108.9V803 V804 L806 F813 M818 L867V803-L811 CarbonylContact C-O 3.43Å; V803-L811 WeakPolarHBondContact CA-O 2.85Å; V804-L811 HydrophobicContact CB-CB 4.33Å; V804-L811 PolarHBondContact N-O 3.31Å; V804-L811 PolarHBondContact O-N 3.41Å; L806-L811 HydrophobicContact CD1-CD1 3.94Å; L806-L811 HydrophobicContact CD1-CD2 4.18Å; L806-L811 HydrophobicContact CD1-CG 3.82Å; L806-L811 HydrophobicContact CG-CD1 4.47Å; L806-L811 HydrophobicContact CG-CG 4.28Å; L811-F813 HydrophobicContact CB-CE2 3.69Å; L811-F813 HydrophobicContact CB-CZ 4.03Å; L811-F813 HydrophobicContact CD1-CZ 4.22Å; L811-M818 HydrophobicContact CD2-SD 4.37Å; L811-L867 HydrophobicContact CD1-CD2 4.4Å
812A92.9Very high88.9Confident0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-99.1122.9173.600000109.8F796 F798 I800 M818 Q819F796-A812 HydrophobicContact CD1-CB 3.88Å; F796-A812 HydrophobicContact CE1-CB 3.43Å; F796-A812 VanDerWaalsContact CE1-CB 3.43Å; F796-A812 HydrophobicContact CE2-CB 4.14Å; F796-A812 HydrophobicContact CG-CB 4.4Å; F796-A812 HydrophobicContact CZ-CB 3.57Å; F798-A812 HydrophobicContact CE2-CB 4.08Å; F798-A812 HydrophobicContact CZ-CB 4.18Å; I800-A812 HydrophobicContact CD1-CB 4.42Å; I800-A812 HydrophobicContact CG1-CB 4.26Å; I800-A812 HydrophobicContact CG2-CB 4.21Å; A812-M818 CarbonylContact O-C 3.6Å; A812-M818 WeakPolarHBondContact O-CA 3.39Å; A812-Q819 PolarHBondContact N-O 2.98Å; A812-Q819 PolarHBondContact O-N 2.51Å
813F92.9Very high88.6Confident9 Ų926 Ų264%0.03913%0.126CC..EExtended strand (participates in β ladder)trans-101135.9180-64.2-92000109.9F527 G801 A802 V804 L811 M818 L841 V848 L850F527-F813 HydrophobicContact CZ-CE1 4.16Å; F527-F813 HydrophobicContact CZ-CZ 4.19Å; G801-F813 PolarHBondContact N-O 3.33Å; A802-F813 HydrophobicContact CB-CB 4.33Å; A802-F813 PolarHBondContact N-O 3.16Å; A802-F813 PolarHBondContact O-N 3.34Å; V804-F813 HydrophobicContact CB-CE2 4.13Å; V804-F813 HydrophobicContact CG2-CD2 4.47Å; V804-F813 HydrophobicContact CG2-CE2 3.71Å; L811-F813 HydrophobicContact CB-CE2 3.69Å; L811-F813 HydrophobicContact CB-CZ 4.03Å; L811-F813 HydrophobicContact CD1-CZ 4.22Å; F813-M818 HydrophobicContact CD1-CB 3.48Å; F813-M818 VanDerWaalsContact CD1-CB 3.48Å; F813-M818 HydrophobicContact CD1-CG 4.33Å; F813-M818 HydrophobicContact CE1-CB 3.59Å; F813-M818 HydrophobicContact CE1-CG 4Å; F813-M818 HydrophobicContact CG-CB 4.13Å; F813-M818 HydrophobicContact CZ-CB 4.35Å; F813-L841 HydrophobicContact CE2-CD1 4.46Å; F813-V848 HydrophobicContact CZ-CG1 4.33Å; F813-L850 HydrophobicContact CD1-CD2 3.81Å; F813-L850 HydrophobicContact CE1-CD1 3.92Å; F813-L850 HydrophobicContact CE1-CD2 3.56Å; F813-L850 HydrophobicContact CE1-CG 4.27Å; F813-L850 HydrophobicContact CZ-CD2 4.27Å
814W93.3Very high88.2Confident31 Ų3133.1 Ų33.112%0.11716%0.156CC..EExtended strand (participates in β ladder)trans-127.3178.6169.374.499.8000110.2F798 H816 G817 M818 Q819 E831 I832F798-W814 HydrophobicContact CB-CB 4.43Å; F798-W814 HydrophobicContact CB-CG 4.35Å; F798-W814 HydrophobicContact CD1-CD2 4.05Å; F798-W814 AromaticContact CD1-CE3 3.77Å; F798-W814 HydrophobicContact CD1-CE3 3.77Å; F798-W814 HydrophobicContact CD1-CH2 4.45Å; F798-W814 AromaticContact CD1-CZ3 3.91Å; F798-W814 HydrophobicContact CD1-CZ3 3.91Å; F798-W814 HydrophobicContact CD2-CB 3.61Å; F798-W814 HydrophobicContact CD2-CD2 4.03Å; F798-W814 AromaticContact CD2-CE3 3.77Å; F798-W814 HydrophobicContact CD2-CE3 3.77Å; F798-W814 AromaticContact CD2-CG 3.97Å; F798-W814 HydrophobicContact CD2-CG 3.97Å; F798-W814 HydrophobicContact CE1-CD2 4.19Å; F798-W814 AromaticContact CE1-CE3 3.44Å; F798-W814 HydrophobicContact CE1-CE3 3.44Å; F798-W814 VanDerWaalsContact CE1-CE3 3.44Å; F798-W814 HydrophobicContact CE1-CH2 4.07Å; F798-W814 AromaticContact CE1-CZ3 3.3Å; F798-W814 HydrophobicContact CE1-CZ3 3.3Å; F798-W814 HydrophobicContact CE2-CB 4.11Å; F798-W814 HydrophobicContact CE2-CD2 4.15Å; F798-W814 AromaticContact CE2-CE3 3.42Å; F798-W814 HydrophobicContact CE2-CE3 3.42Å; F798-W814 VanDerWaalsContact CE2-CE3 3.42Å; F798-W814 HydrophobicContact CE2-CG 4.44Å; F798-W814 HydrophobicContact CE2-CZ3 4.06Å; F798-W814 HydrophobicContact CG-CB 4.11Å; F798-W814 AromaticContact CG-CD2 3.97Å; F798-W814 HydrophobicContact CG-CD2 3.97Å; F798-W814 AromaticContact CG-CE3 3.93Å; F798-W814 HydrophobicContact CG-CE3 3.93Å; F798-W814 HydrophobicContact CG-CG 4.03Å; F798-W814 HydrophobicContact CZ-CD2 4.22Å; F798-W814 AromaticContact CZ-CE3 3.24Å; F798-W814 HydrophobicContact CZ-CE3 3.24Å; F798-W814 AromaticContact CZ-CZ3 3.38Å; F798-W814 HydrophobicContact CZ-CZ3 3.38Å; W814-H816 PolarHBondContact O-N 3.47Å; W814-G817 VanDerWaalsContact CE3-C 3.47Å; W814-G817 PolarHBondContact N-O 2.88Å; W814-G817 PolarHBondContact O-N 3.06Å; W814-M818 VanDerWaalsContact CH2-C 3.46Å; W814-M818 VanDerWaalsContact CH2-O 3.3Å; W814-M818 WeakPolarHBondContact CH2-O 3.25Å; W814-M818 VanDerWaalsContact CZ3-N 3.26Å; W814-M818 WeakPolarHBondContact CZ3-O 3.31Å; W814-Q819 HydrophobicContact CH2-CB 4.35Å; W814-Q819 HydrophobicContact CZ3-CB 3.74Å; W814-Q819 VanDerWaalsContact CZ3-N 3.27Å; W814-E831 HydrophobicContact CH2-CG 4.19Å; W814-I832 VanDerWaalsContact CH2-O 3.3Å; W814-I832 WeakPolarHBondContact CH2-O 3.38Å; W814-I832 WeakPolarHBondContact CZ2-O 3.26Å
815K91.7Very high87.8Confident126 Ų12635.4 Ų35.455%0.54817%0.173SC..THydrogen-bonded Turntrans-48.7-39.1-175.2-173.5-179.6175.1-172.20114.1V838 F839K815-V838 HydrophobicContact CG-CG1 3.99Å; K815-V838 HydrophobicContact CG-CG2 4.2Å; K815-V838 CarbonylContact O-C 3.49Å; K815-V838 WeakPolarHBondContact O-CA 3.36Å; K815-F839 PolarHBondContact O-N 2.86Å
816H92.1Very high87.7Confident44 Ų4437.3 Ų37.320%0.20418%0.182CC..THydrogen-bonded Turntrans-11412.4-171.2-64.3-62.5000113.6W814 D834 R837W814-H816 PolarHBondContact O-N 3.47Å; H816-D834 PolarHBondContact O-N 3.46Å; H816-R837 PolarHBondContact ND1-O 3.24Å
817G90.4Very high88Confident2 Ų243.1 Ų43.12%0.02121%0.209CC..EExtended strand (participates in β ladder)trans167.3-163.9-173.600000115.7W814 I832W814-G817 VanDerWaalsContact CE3-C 3.47Å; W814-G817 PolarHBondContact N-O 2.88Å; W814-G817 PolarHBondContact O-N 3.06Å; G817-I832 CarbonylContact C-O 3.46Å; G817-I832 WeakPolarHBondContact CA-O 3.45Å
818M91.8Very high88.5Confident3 Ų339.3 Ų39.32%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-146.4153.8174.864.6107-89.100111.2F527 L811 A812 F813 W814 Q830 E831 I832F527-M818 HydrophobicContact CE2-SD 4.23Å; L811-M818 HydrophobicContact CD2-SD 4.37Å; A812-M818 CarbonylContact O-C 3.6Å; A812-M818 WeakPolarHBondContact O-CA 3.39Å; F813-M818 HydrophobicContact CD1-CB 3.48Å; F813-M818 VanDerWaalsContact CD1-CB 3.48Å; F813-M818 HydrophobicContact CD1-CG 4.33Å; F813-M818 HydrophobicContact CE1-CB 3.59Å; F813-M818 HydrophobicContact CE1-CG 4Å; F813-M818 HydrophobicContact CG-CB 4.13Å; F813-M818 HydrophobicContact CZ-CB 4.35Å; W814-M818 VanDerWaalsContact CH2-C 3.46Å; W814-M818 VanDerWaalsContact CH2-O 3.3Å; W814-M818 WeakPolarHBondContact CH2-O 3.25Å; W814-M818 VanDerWaalsContact CZ3-N 3.26Å; W814-M818 WeakPolarHBondContact CZ3-O 3.31Å; M818-Q830 HydrophobicContact CE-CB 3.86Å; M818-E831 WeakPolarHBondContact O-CA 3.37Å; M818-I832 HydrophobicContact CE-CD1 4.09Å; M818-I832 HydrophobicContact CE-CG1 4.41Å; M818-I832 HydrophobicContact CG-CB 4.14Å; M818-I832 HydrophobicContact CG-CD1 3.79Å; M818-I832 HydrophobicContact CG-CG1 4.47Å; M818-I832 PolarHBondContact N-O 3.36Å; M818-I832 PolarHBondContact O-N 2.97Å; M818-I832 HydrophobicContact SD-CD1 3.83Å
819Q91.6Very high88.7Confident11 Ų1138.7 Ų38.75%0.05119%0.194CC..EExtended strand (participates in β ladder)trans-136.2125.1175.1-169.2179.668.800108.3F796 F798 A812 W814 K821 V828 Q830 E831F796-Q819 HydrophobicContact CD1-CB 4.5Å; F796-Q819 VanDerWaalsContact CD1-OE1 3.31Å; F796-Q819 HydrophobicContact CE1-CB 4.44Å; F798-Q819 HydrophobicContact CE1-CB 3.87Å; F798-Q819 HydrophobicContact CZ-CB 3.79Å; A812-Q819 PolarHBondContact N-O 2.98Å; A812-Q819 PolarHBondContact O-N 2.51Å; W814-Q819 HydrophobicContact CH2-CB 4.35Å; W814-Q819 HydrophobicContact CZ3-CB 3.74Å; W814-Q819 VanDerWaalsContact CZ3-N 3.27Å; Q819-K821 VanDerWaalsContact OE1-CE 3.28Å; Q819-V828 HydrophobicContact CG-CB 4.49Å; Q819-V828 HydrophobicContact CG-CG1 3.67Å; Q819-V828 HydrophobicContact CG-CG2 4.08Å; Q819-Q830 CarbonylContact C-O 3.48Å; Q819-Q830 WeakPolarHBondContact CA-O 3.43Å; Q819-E831 HydrophobicContact CB-CG 4.42Å; Q819-E831 HydrophobicContact CG-CB 4.41Å; Q819-E831 HydrophobicContact CG-CG 4.31Å; Q819-E831 PolarHBondContact NE2-OE2 3.33Å
820G90.5Very high88.4Confident0 Ų039.5 Ų39.50%020%0.198CC..EExtended strand (participates in β ladder)trans-94.3130.3174.700000110.5V810 V828 T829 Q830V810-G820 CarbonylContact O-C 3.57Å; V810-G820 VanDerWaalsContact O-CA 3.23Å; V810-G820 WeakPolarHBondContact O-CA 3.22Å; G820-V828 CarbonylContact O-C 3.51Å; G820-V828 WeakPolarHBondContact O-CA 3.31Å; G820-T829 PolarHBondContact O-N 3.46Å; G820-T829 PolarHBondContact O-OG1 2.74Å; G820-Q830 PolarHBondContact N-O 3.48Å; G820-Q830 PolarHBondContact O-N 2.85Å
821K91.1Very high88.2Confident22 Ų2244.3 Ų44.310%0.09622%0.22CC..EExtended strand (participates in β ladder)trans-122.5139.1173.5-71.5-167.2172.9-159.30111.9S795 F796 S809 V810 Q819 E827 V828S795-K821 PolarHBondContact O-NZ 2.8Å; F796-K821 HydrophobicContact CD1-CD 4.31Å; F796-K821 HydrophobicContact CE1-CD 3.74Å; F796-K821 HydrophobicContact CE1-CG 3.86Å; F796-K821 HydrophobicContact CZ-CB 4.4Å; F796-K821 HydrophobicContact CZ-CD 3.9Å; F796-K821 HydrophobicContact CZ-CG 4.14Å; S809-K821 CarbonylContact C-O 3.53Å; S809-K821 WeakPolarHBondContact CA-O 3.48Å; S809-K821 VanDerWaalsContact CB-O 3.25Å; S809-K821 WeakPolarHBondContact CB-O 3.49Å; V810-K821 HydrophobicContact CG1-CB 4.34Å; V810-K821 PolarHBondContact N-O 2.95Å; V810-K821 PolarHBondContact O-N 3.08Å; Q819-K821 VanDerWaalsContact OE1-CE 3.28Å; K821-E827 WeakPolarHBondContact CA-O 3.49Å; K821-V828 HydrophobicContact CG-CG2 4.37Å
822S86.7Confident87.9Confident15 Ų1544.4 Ų44.411%0.10522%0.221CC..EExtended strand (participates in β ladder)trans-71.3136175-179.70000110.6D808 K824 N826 E827D808-S822 PolarHBondContact O-OG 3.11Å; S822-K824 PolarHBondContact O-N 3.2Å; S822-K824 PolarHBondContact OG-N 3.34Å; S822-K824 VanDerWaalsContact OG-N 3.09Å; S822-N826 VanDerWaalsContact O-CA 3.29Å; S822-N826 WeakPolarHBondContact O-CA 3.49Å; S822-N826 PolarHBondContact O-N 3.05Å; S822-E827 PolarHBondContact N-O 2.91Å
823F84.3Confident87.7Confident9 Ų946.9 Ų46.94%0.03924%0.238CC..THydrogen-bonded Turntrans-65.3-24.1169.9-67.6-57.5000112.2L768 I777 L790 A791 L794 D808 S809 V810L768-F823 HydrophobicContact CD1-CE1 3.92Å; L768-F823 HydrophobicContact CD1-CZ 3.98Å; I777-F823 HydrophobicContact CD1-CD1 3.7Å; I777-F823 HydrophobicContact CD1-CE1 3.93Å; L790-F823 CarbonylContact C-O 3.49Å; L790-F823 WeakPolarHBondContact CA-O 3.45Å; L790-F823 HydrophobicContact CD2-CB 3.55Å; L790-F823 HydrophobicContact CD2-CG 4.42Å; A791-F823 WeakPolarHBondContact CB-O 3.15Å; A791-F823 PolarHBondContact N-O 3.39Å; L794-F823 HydrophobicContact CD1-CD1 3.84Å; L794-F823 HydrophobicContact CD1-CE1 4.02Å; D808-F823 VanDerWaalsContact C-CD2 3.4Å; D808-F823 PolarHBondContact O-N 3.49Å; S809-F823 VanDerWaalsContact C-CE2 3.48Å; S809-F823 VanDerWaalsContact N-CD2 3.34Å; S809-F823 WeakPolarHBondContact O-CE2 3.49Å; V810-F823 HydrophobicContact CB-CE1 3.87Å; V810-F823 HydrophobicContact CB-CZ 3.79Å; V810-F823 HydrophobicContact CG1-CE1 4.26Å
824K82Confident87.5Confident154 Ų15446.8 Ų46.867%0.6724%0.238SC*.THydrogen-bonded Turntrans-85-52.2-175.7-60.4-172.9177.2168.50112.3K789 S822K789-K824 WeakPolarHBondContact O-CG 3.14Å; S822-K824 PolarHBondContact O-N 3.2Å; S822-K824 PolarHBondContact OG-N 3.34Å; S822-K824 VanDerWaalsContact OG-N 3.09Å
825S80.3Confident87.2Confident58 Ų5849.6 Ų49.641%0.40626%0.26SS..THydrogen-bonded Turntrans-97.8-12.3-173.861.40000114E827S825-E827 PolarHBondContact O-N 3.42Å; S825-E827 VanDerWaalsContact O-N 3.07Å; S825-E827 WeakPolarHBondContact OG-CB 3.39Å; S825-E827 PolarHBondContact OG-N 2.92Å; S825-E827 PolarHBondContact OG-OE2 3.16Å
826N84.4Confident87.1Confident56 Ų5646.6 Ų46.630%0.29926%0.255SS..  trans56.613.2-167.9-170.321.4000113.2A791 L794 S822A791-N826 HydrophobicContact CB-CB 4.26Å; L794-N826 HydrophobicContact CD2-CB 3.8Å; L794-N826 WeakPolarHBondContact CD2-OD1 3.36Å; S822-N826 VanDerWaalsContact O-CA 3.29Å; S822-N826 WeakPolarHBondContact O-CA 3.49Å; S822-N826 PolarHBondContact O-N 3.05Å
827E87.4Confident87Confident133 Ų13345.5 Ų45.562%0.62125%0.249SC*.  trans-79.1147.9176.7-67.2172.2153.300110.1K821 S822 S825 T829K821-E827 WeakPolarHBondContact CA-O 3.49Å; S822-E827 PolarHBondContact N-O 2.91Å; S825-E827 PolarHBondContact O-N 3.42Å; S825-E827 VanDerWaalsContact O-N 3.07Å; S825-E827 WeakPolarHBondContact OG-CB 3.39Å; S825-E827 PolarHBondContact OG-N 2.92Å; S825-E827 PolarHBondContact OG-OE2 3.16Å; E827-T829 PolarHBondContact O-N 3.45Å; E827-T829 VanDerWaalsContact O-N 3.12Å
828V88Confident87Confident67 Ų6747.7 Ų47.741%0.40626%0.262SS..EExtended strand (participates in β ladder)trans-67.5110.5171.8178.40000107.7Q819 G820 K821 Q830 E831Q819-V828 HydrophobicContact CG-CB 4.49Å; Q819-V828 HydrophobicContact CG-CG1 3.67Å; Q819-V828 HydrophobicContact CG-CG2 4.08Å; G820-V828 CarbonylContact O-C 3.51Å; G820-V828 WeakPolarHBondContact O-CA 3.31Å; K821-V828 HydrophobicContact CG-CG2 4.37Å; V828-Q830 WeakPolarHBondContact CG1-O 3.3Å; V828-E831 HydrophobicContact CG1-CB 4.24Å
829T83.8Confident87.1Confident66 Ų6648.3 Ų48.341%0.40526%0.264SS..EExtended strand (participates in β ladder)trans-76.2-37.5174.455.70000110.6G820 E827G820-T829 PolarHBondContact O-N 3.46Å; G820-T829 PolarHBondContact O-OG1 2.74Å; E827-T829 PolarHBondContact O-N 3.45Å; E827-T829 VanDerWaalsContact O-N 3.12Å
830Q81Confident87.1Confident23 Ų2352.2 Ų52.211%0.10728%0.279CS..EExtended strand (participates in β ladder)trans-156.1148.2-169.9-59.9170.714.500110.3V342 F344 M818 Q819 G820 V828V342-Q830 HydrophobicContact CG1-CB 4.32Å; V342-Q830 HydrophobicContact CG1-CG 4.05Å; F344-Q830 VanDerWaalsContact CE2-NE2 3.33Å; F344-Q830 VanDerWaalsContact CZ-NE2 3.28Å; M818-Q830 HydrophobicContact CE-CB 3.86Å; Q819-Q830 CarbonylContact C-O 3.48Å; Q819-Q830 WeakPolarHBondContact CA-O 3.43Å; G820-Q830 PolarHBondContact N-O 3.48Å; G820-Q830 PolarHBondContact O-N 2.85Å; V828-Q830 WeakPolarHBondContact CG1-O 3.3Å
831E86.2Confident87.2Confident101 Ų10153.8 Ų53.847%0.47229%0.287SS..EExtended strand (participates in β ladder)trans-150.4134.9174.9-168.6173.8150.400110.6W814 M818 Q819 V828W814-E831 HydrophobicContact CH2-CG 4.19Å; M818-E831 WeakPolarHBondContact O-CA 3.37Å; Q819-E831 HydrophobicContact CB-CG 4.42Å; Q819-E831 HydrophobicContact CG-CB 4.41Å; Q819-E831 HydrophobicContact CG-CG 4.31Å; Q819-E831 PolarHBondContact NE2-OE2 3.33Å; V828-E831 HydrophobicContact CG1-CB 4.24Å
832I84.8Confident87.2Confident3 Ų353.3 Ų53.32%0.01529%0.285CS..EExtended strand (participates in β ladder)trans-128.8125.7171.3-65.3147000106.2F339 V342 F527 W814 G817 M818F339-I832 HydrophobicContact CD1-CD1 3.45Å; F339-I832 VanDerWaalsContact CD1-CD1 3.45Å; F339-I832 HydrophobicContact CD1-CG1 4.21Å; F339-I832 HydrophobicContact CD1-CG2 4.39Å; F339-I832 HydrophobicContact CE1-CD1 3.46Å; F339-I832 VanDerWaalsContact CE1-CD1 3.46Å; F339-I832 HydrophobicContact CE1-CG1 4.32Å; F339-I832 HydrophobicContact CE1-CG2 4.05Å; F339-I832 HydrophobicContact CZ-CG2 4.22Å; V342-I832 HydrophobicContact CG2-CD1 3.93Å; V342-I832 HydrophobicContact CG2-CG1 3.76Å; F527-I832 HydrophobicContact CD2-CD1 4.17Å; W814-I832 VanDerWaalsContact CH2-O 3.3Å; W814-I832 WeakPolarHBondContact CH2-O 3.38Å; W814-I832 WeakPolarHBondContact CZ2-O 3.26Å; G817-I832 CarbonylContact C-O 3.46Å; G817-I832 WeakPolarHBondContact CA-O 3.45Å; M818-I832 HydrophobicContact CE-CD1 4.09Å; M818-I832 HydrophobicContact CE-CG1 4.41Å; M818-I832 HydrophobicContact CG-CB 4.14Å; M818-I832 HydrophobicContact CG-CD1 3.79Å; M818-I832 HydrophobicContact CG-CG1 4.47Å; M818-I832 PolarHBondContact N-O 3.36Å; M818-I832 PolarHBondContact O-N 2.97Å; M818-I832 HydrophobicContact SD-CD1 3.83Å
833S88.2Confident87.1Confident52 Ų5253.1 Ų53.136%0.36429%0.286SS..EExtended strand (participates in β ladder)trans-139.6113.7178.6-172.80000109.4
834D87.4Confident86.7Confident7 Ų755.1 Ų55.14%0.03730%0.301CS..  trans-134.396.3177.6-173.6-6.1000110.2S335 H816 S836 R837 F839S335-D834 WeakPolarHBondContact CB-OD2 3.37Å; S335-D834 PolarHBondContact N-OD2 3.48Å; S335-D834 PolarHBondContact OG-OD2 3.29Å; H816-D834 PolarHBondContact O-N 3.46Å; D834-S836 VanDerWaalsContact CG-OG 3.23Å; D834-S836 PolarHBondContact O-N 3.34Å; D834-S836 VanDerWaalsContact O-N 3.13Å; D834-S836 VanDerWaalsContact OD1-CB 3.26Å; D834-S836 WeakPolarHBondContact OD1-CB 3.41Å; D834-S836 PolarHBondContact OD1-N 3.22Å; D834-S836 PolarHBondContact OD1-OG 3.36Å; D834-S836 PolarHBondContact OD2-OG 3.18Å; D834-R837 PolarHBondContact O-N 3.33Å; D834-F839 HydrophobicContact CB-CE2 4.14Å; D834-F839 HydrophobicContact CB-CZ 4.49Å
835P88.8Confident86.1Confident90 Ų9051 Ų5158%0.58429%0.286SS*.THydrogen-bonded Turntrans-60.7-20.5177.8-23.834.1000114R837 T855P835-R837 PolarHBondContact O-N 3.21Å; P835-T855 WeakPolarHBondContact O-CB 3.18Å; P835-T855 PolarHBondContact O-OG1 3.32Å
836S88.1Confident85.8Confident63 Ų6353 Ų5344%0.44129%0.285SS..THydrogen-bonded Turntrans-72.9-12.6177.677.40000112.8D834 P854 T855D834-S836 VanDerWaalsContact CG-OG 3.23Å; D834-S836 PolarHBondContact O-N 3.34Å; D834-S836 VanDerWaalsContact O-N 3.13Å; D834-S836 VanDerWaalsContact OD1-CB 3.26Å; D834-S836 WeakPolarHBondContact OD1-CB 3.41Å; D834-S836 PolarHBondContact OD1-N 3.22Å; D834-S836 PolarHBondContact OD1-OG 3.36Å; D834-S836 PolarHBondContact OD2-OG 3.18Å; S836-P854 WeakPolarHBondContact O-CA 3.42Å; S836-T855 PolarHBondContact O-N 2.92Å; S836-T855 PolarHBondContact O-OG1 3Å
837R89.8Confident85.7Confident21 Ų2151.2 Ų51.28%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-128.3154.5179.2-65.5-162.7174.7-167.815.2113.1T333 E336 H816 D834 P835 F839 S852 R853 T855 N863 Y865T333-R837 VanDerWaalsContact CG2-NH2 3.26Å; T333-R837 PolarHBondContact OG1-NH2 2.88Å; E336-R837 IonicContact OE1-CZ 3.37Å; E336-R837 IonicContact OE1-NH1 2.69Å; E336-R837 IonicContact OE1-NH2 3.66Å; E336-R837 PolarHBondContact OE1-NH2 3.36Å; H816-R837 PolarHBondContact ND1-O 3.24Å; D834-R837 PolarHBondContact O-N 3.33Å; P835-R837 PolarHBondContact O-N 3.21Å; R837-F839 HydrophobicContact CB-CE2 3.83Å; R837-F839 HydrophobicContact CB-CZ 3.9Å; R837-S852 PolarHBondContact NH1-OG 2.86Å; R837-R853 CarbonylContact C-O 3.49Å; R837-R853 VanDerWaalsContact CA-O 3.24Å; R837-R853 WeakPolarHBondContact CA-O 3.39Å; R837-T855 WeakPolarHBondContact CA-OG1 3.31Å; R837-T855 PolarHBondContact N-OG1 3.3Å; R837-T855 PolarHBondContact O-OG1 3.23Å; R837-N863 PolarHBondContact NH1-ND2 3.31Å; R837-Y865 PolarHBondContact NH1-OH 3.33Å
838V91.9Very high85.6Confident47 Ų4745.3 Ų45.329%0.28525%0.249SC..EExtended strand (participates in β ladder)trans-108.4124.2169.2177.20000108.6K815 S852 R853K815-V838 HydrophobicContact CG-CG1 3.99Å; K815-V838 HydrophobicContact CG-CG2 4.2Å; K815-V838 CarbonylContact O-C 3.49Å; K815-V838 WeakPolarHBondContact O-CA 3.36Å; V838-S852 CarbonylContact O-C 3.54Å; V838-S852 VanDerWaalsContact O-CA 3.25Å; V838-S852 WeakPolarHBondContact O-CA 3.27Å; V838-R853 PolarHBondContact N-O 3Å; V838-R853 PolarHBondContact O-N 3.18Å
839F92Very high85.8Confident16 Ų1642.2 Ų42.27%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-105145.7178.9-63.4-84.1000111.7F339 K815 D834 R837 E851 S852F339-F839 AromaticContact CE2-CE1 3.63Å; F339-F839 HydrophobicContact CE2-CE1 3.63Å; F339-F839 AromaticContact CE2-CZ 3.98Å; F339-F839 HydrophobicContact CE2-CZ 3.98Å; F339-F839 HydrophobicContact CZ-CD1 4.18Å; F339-F839 AromaticContact CZ-CE1 3.54Å; F339-F839 HydrophobicContact CZ-CE1 3.54Å; F339-F839 HydrophobicContact CZ-CZ 4.02Å; K815-F839 PolarHBondContact O-N 2.86Å; D834-F839 HydrophobicContact CB-CE2 4.14Å; D834-F839 HydrophobicContact CB-CZ 4.49Å; R837-F839 HydrophobicContact CB-CE2 3.83Å; R837-F839 HydrophobicContact CB-CZ 3.9Å; F839-E851 CarbonylContact C-O 3.5Å; F839-E851 WeakPolarHBondContact CA-O 3.39Å; F839-S852 VanDerWaalsContact CE1-CB 3.49Å
840R92.4Very high86.2Confident94 Ų9439.2 Ų39.236%0.35521%0.212SC..EExtended strand (participates in β ladder)trans-143133.9174-172.1174.762.6105.1-3.7111.1I538 L850 E851I538-R840 PolarHBondContact O-NH1 3.16Å; I538-R840 PolarHBondContact O-NH2 2.62Å; R840-L850 WeakPolarHBondContact O-CA 3.45Å; R840-E851 IonicContact CZ-OE2 2.87Å; R840-E851 PolarHBondContact N-O 3.14Å; R840-E851 IonicContact NE-OE2 2.76Å; R840-E851 PolarHBondContact NE-OE2 3.27Å; R840-E851 IonicContact NH2-OE2 2.83Å; R840-E851 PolarHBondContact NH2-OE2 3.36Å; R840-E851 PolarHBondContact O-N 3.42Å
841L92.3Very high86.8Confident33 Ų3338.2 Ų38.217%0.17321%0.207CC..EExtended strand (participates in β ladder)trans-73.8127.5172-174.370.1000110.3A802 V804 F813 V848 L850A802-L841 HydrophobicContact CB-CB 3.98Å; A802-L841 HydrophobicContact CB-CD2 3.82Å; V804-L841 HydrophobicContact CG2-CD1 4.07Å; V804-L841 HydrophobicContact CG2-CD2 3.64Å; F813-L841 HydrophobicContact CE2-CD1 4.46Å; L841-V848 HydrophobicContact CD1-CG1 3.72Å; L841-L850 HydrophobicContact CB-CD2 4.26Å; L841-L850 HydrophobicContact CD1-CD2 3.83Å
842L91.1Very high87.1Confident11 Ų1133.4 Ų33.46%0.05819%0.185CC..EExtended strand (participates in β ladder)trans-101.1-30.8178.6-61.8-178.5000113I538 C540 A541 V849 E851 L864I538-L842 HydrophobicContact CB-CD1 4.2Å; I538-L842 HydrophobicContact CB-CD2 4.18Å; I538-L842 HydrophobicContact CD1-CD1 3.95Å; I538-L842 HydrophobicContact CG2-CD1 3.88Å; I538-L842 HydrophobicContact CG2-CD2 4.02Å; I538-L842 HydrophobicContact CG2-CG 4.42Å; C540-L842 CarbonylContact C-O 3.57Å; C540-L842 WeakPolarHBondContact CA-O 3.35Å; A541-L842 HydrophobicContact CB-CB 3.92Å; A541-L842 PolarHBondContact N-O 2.72Å; L842-V849 HydrophobicContact CB-CB 4.26Å; L842-V849 HydrophobicContact CB-CG1 4.23Å; L842-V849 HydrophobicContact CD1-CG1 4.04Å; L842-V849 PolarHBondContact N-O 3.3Å; L842-E851 HydrophobicContact CD1-CB 3.84Å; L842-E851 HydrophobicContact CD2-CB 4.01Å; L842-E851 HydrophobicContact CG-CB 3.91Å; L842-L864 HydrophobicContact CD1-CD2 3.95Å
843G84.9Confident87.5Confident12 Ų1235.9 Ų35.912%0.12419%0.194CC..EExtended strand (participates in β ladder)trans-172.7154.2-178.500000111.8V847 V848 V849G843-V847 CarbonylContact C-O 3.6Å; G843-V848 WeakPolarHBondContact O-CA 3.32Å; G843-V849 PolarHBondContact O-N 3.44Å
844S76.4Confident87.5Confident51 Ų5135.5 Ų35.536%0.35719%0.19SC..  trans-147.23.9-173.856.20000115.4
845D68.1Low87.6Confident67 Ų6737.5 Ų37.536%0.35820%0.203SC..SBendtrans-65.4-45.8-173.2-175.638.8000113F374F374-D845 WeakPolarHBondContact CE1-O 3.44Å
846R75Confident87.6Confident101 Ų10140 Ų4038%0.38121%0.211SC..SBendtrans-131.6-23.9179.6-61.7-176.2-169.6-168.74.3113.8S543 V588S543-R846 WeakPolarHBondContact OG-CB 3.44Å; V588-R846 PolarHBondContact O-NH2 2.94Å
847V81.2Confident87.5Confident18 Ų1840.4 Ų40.411%0.10921%0.208CC..SBendtrans-140.4131.1176.6-179.60000106.1L554 G843 V849 I866L554-V847 HydrophobicContact CD2-CB 4.38Å; L554-V847 HydrophobicContact CD2-CG1 4.28Å; G843-V847 CarbonylContact C-O 3.6Å; V847-V849 HydrophobicContact CB-CG2 4.44Å; V847-V849 HydrophobicContact CG1-CG2 4.13Å; V847-V849 PolarHBondContact O-N 3.11Å; V847-I866 HydrophobicContact CG1-CB 3.96Å; V847-I866 HydrophobicContact CG1-CG2 3.98Å
848V87.3Confident87.1Confident9 Ų944.2 Ų44.26%0.05524%0.236CC..  trans-80.8115.3174.8-176.90000107.9F527 V804 F813 L841 G843 I866 L867F527-V848 HydrophobicContact CE1-CG1 3.97Å; F527-V848 HydrophobicContact CZ-CG1 4.11Å; V804-V848 HydrophobicContact CG1-CG2 3.98Å; V804-V848 HydrophobicContact CG2-CG1 4.37Å; F813-V848 HydrophobicContact CZ-CG1 4.33Å; L841-V848 HydrophobicContact CD1-CG1 3.72Å; G843-V848 WeakPolarHBondContact O-CA 3.32Å; V848-I866 CarbonylContact O-C 3.58Å; V848-I866 WeakPolarHBondContact O-CA 3.12Å; V848-L867 HydrophobicContact CB-CB 3.82Å; V848-L867 HydrophobicContact CB-CD2 4.37Å; V848-L867 HydrophobicContact CG2-CB 4.41Å; V848-L867 HydrophobicContact CG2-CD2 4.16Å; V848-L867 PolarHBondContact O-N 3.37Å
849V91.4Very high86.7Confident1 Ų147 Ų471%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-114.8126-176.8-172.30000110.1A541 L554 F556 L842 G843 V847 Y865 I866A541-V849 HydrophobicContact CB-CB 4.14Å; A541-V849 HydrophobicContact CB-CG1 4.27Å; A541-V849 HydrophobicContact CB-CG2 4.14Å; L554-V849 HydrophobicContact CD2-CG2 4.2Å; F556-V849 HydrophobicContact CE1-CG1 4.14Å; L842-V849 HydrophobicContact CB-CB 4.26Å; L842-V849 HydrophobicContact CB-CG1 4.23Å; L842-V849 HydrophobicContact CD1-CG1 4.04Å; L842-V849 PolarHBondContact N-O 3.3Å; G843-V849 PolarHBondContact O-N 3.44Å; V847-V849 HydrophobicContact CB-CG2 4.44Å; V847-V849 HydrophobicContact CG1-CG2 4.13Å; V847-V849 PolarHBondContact O-N 3.11Å; V849-Y865 WeakPolarHBondContact CA-O 3.33Å; V849-I866 HydrophobicContact CG2-CG2 4.44Å
850L92.6Very high86.4Confident3 Ų347.4 Ų47.42%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-113.7145.6176.6-61.6178.5000111.8F527 F813 R840 L841 L864 Y865F527-L850 HydrophobicContact CD1-CD1 3.63Å; F527-L850 HydrophobicContact CD1-CG 4.12Å; F527-L850 HydrophobicContact CD2-CD1 4.27Å; F527-L850 HydrophobicContact CE1-CD1 3.31Å; F527-L850 HydrophobicContact CE1-CG 3.6Å; F527-L850 HydrophobicContact CE2-CD1 3.98Å; F527-L850 HydrophobicContact CG-CD1 4.11Å; F527-L850 HydrophobicContact CZ-CD1 3.51Å; F527-L850 HydrophobicContact CZ-CG 4.1Å; F813-L850 HydrophobicContact CD1-CD2 3.81Å; F813-L850 HydrophobicContact CE1-CD1 3.92Å; F813-L850 HydrophobicContact CE1-CD2 3.56Å; F813-L850 HydrophobicContact CE1-CG 4.27Å; F813-L850 HydrophobicContact CZ-CD2 4.27Å; R840-L850 WeakPolarHBondContact O-CA 3.45Å; L841-L850 HydrophobicContact CB-CD2 4.26Å; L841-L850 HydrophobicContact CD1-CD2 3.83Å; L850-L864 WeakPolarHBondContact O-CA 3.33Å; L850-Y865 PolarHBondContact N-O 3.29Å; L850-Y865 PolarHBondContact O-N 3.47Å
851E93.3Very high86.3Confident2 Ų246.7 Ų46.71%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-108.6139.9165.9-171.2-178.5-14100109.4F839 R840 L842 R853 S862 N863 L864F839-E851 CarbonylContact C-O 3.5Å; F839-E851 WeakPolarHBondContact CA-O 3.39Å; R840-E851 IonicContact CZ-OE2 2.87Å; R840-E851 PolarHBondContact N-O 3.14Å; R840-E851 IonicContact NE-OE2 2.76Å; R840-E851 PolarHBondContact NE-OE2 3.27Å; R840-E851 IonicContact NH2-OE2 2.83Å; R840-E851 PolarHBondContact NH2-OE2 3.36Å; R840-E851 PolarHBondContact O-N 3.42Å; L842-E851 HydrophobicContact CD1-CB 3.84Å; L842-E851 HydrophobicContact CD2-CB 4.01Å; L842-E851 HydrophobicContact CG-CB 3.91Å; E851-R853 IonicContact OE1-CZ 2.71Å; E851-R853 VanDerWaalsContact OE1-CZ 3.24Å; E851-R853 IonicContact OE1-NH1 2.91Å; E851-R853 PolarHBondContact OE1-NH1 3.08Å; E851-R853 IonicContact OE1-NH2 2.84Å; E851-R853 PolarHBondContact OE1-NH2 3.11Å; E851-R853 IonicContact OE2-CZ 2.75Å; E851-R853 IonicContact OE2-NH1 3.73Å; E851-R853 PolarHBondContact OE2-NH1 3.13Å; E851-R853 IonicContact OE2-NH2 3.67Å; E851-S862 WeakPolarHBondContact OE1-CB 3.29Å; E851-S862 PolarHBondContact OE1-OG 2.92Å; E851-N863 CarbonylContact C-O 3.51Å; E851-N863 WeakPolarHBondContact CA-O 3.25Å; E851-L864 HydrophobicContact CB-CD2 4.27Å; E851-L864 HydrophobicContact CG-CD2 4.12Å
852S93.1Very high86.2Confident1 Ų145.1 Ų45.11%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-127.3145169850000112.4R837 V838 F839 S862 N863 Y865R837-S852 PolarHBondContact NH1-OG 2.86Å; V838-S852 CarbonylContact O-C 3.54Å; V838-S852 VanDerWaalsContact O-CA 3.25Å; V838-S852 WeakPolarHBondContact O-CA 3.27Å; F839-S852 VanDerWaalsContact CE1-CB 3.49Å; S852-S862 WeakPolarHBondContact O-CA 3.23Å; S852-N863 PolarHBondContact N-O 3.15Å; S852-N863 PolarHBondContact O-N 2.89Å; S852-Y865 WeakPolarHBondContact OG-CE2 3.26Å
853R91.7Very high86.2Confident55 Ų5545.6 Ų45.621%0.20826%0.261CS..EExtended strand (participates in β ladder)trans-131.6151.4169.3-68.1-174.4177.580.58.4110.7R837 V838 E851 P858R837-R853 CarbonylContact C-O 3.49Å; R837-R853 VanDerWaalsContact CA-O 3.24Å; R837-R853 WeakPolarHBondContact CA-O 3.39Å; V838-R853 PolarHBondContact N-O 3Å; V838-R853 PolarHBondContact O-N 3.18Å; E851-R853 IonicContact OE1-CZ 2.71Å; E851-R853 VanDerWaalsContact OE1-CZ 3.24Å; E851-R853 IonicContact OE1-NH1 2.91Å; E851-R853 PolarHBondContact OE1-NH1 3.08Å; E851-R853 IonicContact OE1-NH2 2.84Å; E851-R853 PolarHBondContact OE1-NH2 3.11Å; E851-R853 IonicContact OE2-CZ 2.75Å; E851-R853 IonicContact OE2-NH1 3.73Å; E851-R853 PolarHBondContact OE2-NH1 3.13Å; E851-R853 IonicContact OE2-NH2 3.67Å; R853-P858 WeakPolarHBondContact CD-O 3.04Å
854P89.6Confident86.6Confident43 Ų4345 Ų4528%0.27926%0.255SS..EExtended strand (participates in β ladder)trans-56.1137.1167.8-22.332.8000112.2S836 D856 N857 A860S836-P854 WeakPolarHBondContact O-CA 3.42Å; P854-D856 VanDerWaalsContact C-N 3.35Å; P854-D856 WeakPolarHBondContact CB-OD1 3.24Å; P854-N857 CarbonylContact O-C 3.57Å; P854-N857 PolarHBondContact O-N 2.96Å; P854-A860 HydrophobicContact CG-CB 4.03Å
855T89.7Confident87.2Confident50 Ų5042.7 Ų42.731%0.30724%0.238SC..SBendtrans-67.4-35.5-178.7-64.50000112.4P835 S836 R837P835-T855 WeakPolarHBondContact O-CB 3.18Å; P835-T855 PolarHBondContact O-OG1 3.32Å; S836-T855 PolarHBondContact O-N 2.92Å; S836-T855 PolarHBondContact O-OG1 3Å; R837-T855 WeakPolarHBondContact CA-OG1 3.31Å; R837-T855 PolarHBondContact N-OG1 3.3Å; R837-T855 PolarHBondContact O-OG1 3.23Å
856D88.7Confident88.2Confident142 Ų14240.6 Ų40.676%0.75923%0.227SC*.SBendtrans-77.1-22-179.661.6-21.7000113.3P854P854-D856 VanDerWaalsContact C-N 3.35Å; P854-D856 WeakPolarHBondContact CB-OD1 3.24Å
857N85.9Confident88.6Confident71 Ų7135.9 Ų35.938%0.3821%0.209SC..  trans-131.885.6177.9-172.4-2.1000112.6P854 S859 A860P854-N857 CarbonylContact O-C 3.57Å; P854-N857 PolarHBondContact O-N 2.96Å; N857-S859 PolarHBondContact O-N 3.28Å; N857-S859 VanDerWaalsContact O-N 3.11Å; N857-S859 PolarHBondContact OD1-N 2.91Å; N857-S859 VanDerWaalsContact OD1-N 3.16Å; N857-S859 PolarHBondContact OD1-OG 3.06Å; N857-A860 HydrophobicContact CB-CB 4.22Å; N857-A860 VanDerWaalsContact O-CB 3.27Å; N857-A860 WeakPolarHBondContact O-CB 3.39Å; N857-A860 PolarHBondContact O-N 3.48Å; N857-A860 PolarHBondContact OD1-N 3.01Å
858P79.8Confident88Confident102 Ų10236.3 Ų36.366%0.66222%0.215SC*.THydrogen-bonded Turntrans-62.5-18.5177.6-23.334.1000114.7R853R853-P858 WeakPolarHBondContact CD-O 3.04Å
859S84Confident86.6Confident106 Ų10637.3 Ų37.374%0.74123%0.227SC*.THydrogen-bonded Turntrans-87.2-5.1178.471.10000113.7N857N857-S859 PolarHBondContact O-N 3.28Å; N857-S859 VanDerWaalsContact O-N 3.11Å; N857-S859 PolarHBondContact OD1-N 2.91Å; N857-S859 VanDerWaalsContact OD1-N 3.16Å; N857-S859 PolarHBondContact OD1-OG 3.06Å
860A86.5Confident84.9Confident24 Ų2438.5 Ų38.520%0.19823%0.232CC..SBendtrans-65.1155.4177.200000112.1P854 N857P854-A860 HydrophobicContact CG-CB 4.03Å; N857-A860 HydrophobicContact CB-CB 4.22Å; N857-A860 VanDerWaalsContact O-CB 3.27Å; N857-A860 WeakPolarHBondContact O-CB 3.39Å; N857-A860 PolarHBondContact O-N 3.48Å; N857-A860 PolarHBondContact OD1-N 3.01Å
861L89.1Confident82.7Confident79 Ų7945 Ų4541%0.41426%0.263SS..PPolyproline II helixtrans-62.1144.8174-54.7176.2000110I324 P535I324-L861 HydrophobicContact CD1-CD1 3.24Å; P535-L861 HydrophobicContact CB-CD2 3.75Å
862S90.6Very high80.3Confident0 Ų046.9 Ų46.90%027%0.273CS..EExtended strand (participates in β ladder)trans-94.1148.4-174.659.30000113G533 C534 E851 S852G533-S862 PolarHBondContact N-O 3.04Å; C534-S862 WeakPolarHBondContact CA-O 3.43Å; C534-S862 VanDerWaalsContact CB-O 3.23Å; C534-S862 WeakPolarHBondContact CB-O 3.34Å; C534-S862 PolarHBondContact N-O 3.37Å; C534-S862 PolarHBondContact O-N 3.36Å; C534-S862 PolarHBondContact O-OG 3.16Å; E851-S862 WeakPolarHBondContact OE1-CB 3.29Å; E851-S862 PolarHBondContact OE1-OG 2.92Å; S852-S862 WeakPolarHBondContact O-CA 3.23Å
863N91.7Very high77.7Confident20 Ų2047.7 Ų47.711%0.10728%0.279CS..EExtended strand (participates in β ladder)trans-100.5140.2171.9-66-25000109.6F531 D532 G533 R837 E851 S852 Y865F531-N863 WeakPolarHBondContact O-CA 3.4Å; D532-N863 WeakPolarHBondContact CA-OD1 3.32Å; D532-N863 PolarHBondContact OD1-ND2 3.09Å; D532-N863 PolarHBondContact OD1-OD1 3.27Å; G533-N863 PolarHBondContact N-OD1 3.01Å; R837-N863 PolarHBondContact NH1-ND2 3.31Å; E851-N863 CarbonylContact C-O 3.51Å; E851-N863 WeakPolarHBondContact CA-O 3.25Å; S852-N863 PolarHBondContact N-O 3.15Å; S852-N863 PolarHBondContact O-N 2.89Å; N863-Y865 HydrophobicContact CB-CE2 3.64Å
864L92.3Very high74.9Confident0 Ų055.2 Ų55.20%031%0.309CS..EExtended strand (participates in β ladder)trans-108.9136.5-179.2-52.7-176000111.1K529 V530 F531 C534 I538 F556 M575 L842 L850 E851K529-L864 WeakPolarHBondContact CA-O 3.28Å; V530-L864 HydrophobicContact CG2-CB 4.08Å; V530-L864 PolarHBondContact N-O 2.86Å; F531-L864 HydrophobicContact CB-CB 3.94Å; F531-L864 HydrophobicContact CB-CD1 4Å; F531-L864 HydrophobicContact CB-CG 4.06Å; F531-L864 PolarHBondContact N-O 3.48Å; F531-L864 PolarHBondContact O-N 3.08Å; C534-L864 HydrophobicContact CB-CD1 4.42Å; C534-L864 HydrophobicContact CB-CG 4.28Å; I538-L864 HydrophobicContact CD1-CD1 3.87Å; I538-L864 HydrophobicContact CD1-CD2 3.69Å; I538-L864 HydrophobicContact CD1-CG 4.43Å; F556-L864 HydrophobicContact CE1-CD1 4.01Å; F556-L864 HydrophobicContact CE2-CD1 4.37Å; F556-L864 HydrophobicContact CZ-CD1 3.79Å; M575-L864 HydrophobicContact CE-CD1 3.27Å; L842-L864 HydrophobicContact CD1-CD2 3.95Å; L850-L864 WeakPolarHBondContact O-CA 3.33Å; E851-L864 HydrophobicContact CB-CD2 4.27Å; E851-L864 HydrophobicContact CG-CD2 4.12Å
865Y89.9Confident74.2Confident3 Ų355.9 Ų55.91%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-129.2147.6-179-55.6-102.3000110.2F339 S528 K529 R837 V849 L850 S852 N863F339-Y865 HydrophobicContact CD2-CD1 4.25Å; F339-Y865 HydrophobicContact CD2-CE1 4.04Å; F339-Y865 HydrophobicContact CE2-CD1 4.26Å; F339-Y865 HydrophobicContact CE2-CE1 4.09Å; S528-Y865 CarbonylContact O-C 3.37Å; S528-Y865 VanDerWaalsContact O-CA 3.26Å; S528-Y865 WeakPolarHBondContact O-CA 3.42Å; K529-Y865 HydrophobicContact CB-CD1 3.83Å; K529-Y865 HydrophobicContact CB-CE1 3.68Å; K529-Y865 WeakPolarHBondContact CE-OH 3.38Å; K529-Y865 HydrophobicContact CG-CD1 4.34Å; K529-Y865 HydrophobicContact CG-CE1 4Å; R837-Y865 PolarHBondContact NH1-OH 3.33Å; V849-Y865 WeakPolarHBondContact CA-O 3.33Å; L850-Y865 PolarHBondContact N-O 3.29Å; L850-Y865 PolarHBondContact O-N 3.47Å; S852-Y865 WeakPolarHBondContact OG-CE2 3.26Å; N863-Y865 HydrophobicContact CB-CE2 3.64Å
866I89Confident73.4Confident22 Ų2256.2 Ų56.211%0.11331%0.31CS..EExtended strand (participates in β ladder)trans-119.5145.7169.265.1176.2000110.2F527 S528 V530 L554 L567 V847 V848 V849 A868F527-I866 CarbonylContact C-O 3.56Å; F527-I866 VanDerWaalsContact CA-O 3.23Å; F527-I866 WeakPolarHBondContact CA-O 3.33Å; S528-I866 PolarHBondContact N-O 2.97Å; S528-I866 PolarHBondContact O-N 2.78Å; V530-I866 HydrophobicContact CG1-CB 4.42Å; V530-I866 HydrophobicContact CG1-CD1 3.69Å; V530-I866 HydrophobicContact CG1-CG1 3.65Å; V530-I866 HydrophobicContact CG1-CG2 4.08Å; V530-I866 HydrophobicContact CG2-CG2 4Å; L554-I866 HydrophobicContact CD1-CG2 3.71Å; L567-I866 HydrophobicContact CD1-CD1 4.37Å; V847-I866 HydrophobicContact CG1-CB 3.96Å; V847-I866 HydrophobicContact CG1-CG2 3.98Å; V848-I866 CarbonylContact O-C 3.58Å; V848-I866 WeakPolarHBondContact O-CA 3.12Å; V849-I866 HydrophobicContact CG2-CG2 4.44Å; I866-A868 PolarHBondContact O-N 3.16Å
867L83.6Confident72.5Confident2 Ų251.4 Ų51.41%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-75.9111.8164.8-171.765000108.6F344 A525 F527 L811 V848 H870 S873F344-L867 HydrophobicContact CE2-CD1 3.93Å; F344-L867 HydrophobicContact CZ-CD1 3.72Å; F344-L867 HydrophobicContact CZ-CD2 4.19Å; F344-L867 HydrophobicContact CZ-CG 4.5Å; A525-L867 HydrophobicContact CB-CD1 4.33Å; F527-L867 HydrophobicContact CD1-CB 4.08Å; F527-L867 HydrophobicContact CD1-CD1 4.39Å; F527-L867 HydrophobicContact CD2-CD1 4.08Å; F527-L867 HydrophobicContact CE1-CB 3.72Å; F527-L867 HydrophobicContact CE1-CD1 4.27Å; F527-L867 HydrophobicContact CE2-CD1 3.96Å; F527-L867 HydrophobicContact CG-CD1 4.3Å; F527-L867 HydrophobicContact CZ-CB 4.15Å; F527-L867 HydrophobicContact CZ-CD1 4.05Å; L811-L867 HydrophobicContact CD1-CD2 4.4Å; V848-L867 HydrophobicContact CB-CB 3.82Å; V848-L867 HydrophobicContact CB-CD2 4.37Å; V848-L867 HydrophobicContact CG2-CB 4.41Å; V848-L867 HydrophobicContact CG2-CD2 4.16Å; V848-L867 PolarHBondContact O-N 3.37Å; L867-H870 HydrophobicContact CD2-CB 4.27Å; L867-H870 HydrophobicContact CG-CB 4.49Å; L867-S873 WeakPolarHBondContact O-CB 3.47Å; L867-S873 PolarHBondContact O-OG 3Å; L867-S873 VanDerWaalsContact O-OG 3.05Å
868A69.3Low71.7Confident28 Ų2850.2 Ų50.223%0.23128%0.28CS..EExtended strand (participates in β ladder)trans-106.9147.5177.200000109.9A525 C526 I866A525-A868 CarbonylContact C-O 3.52Å; A525-A868 WeakPolarHBondContact CA-O 3.47Å; A525-A868 VanDerWaalsContact CB-O 3.28Å; A525-A868 WeakPolarHBondContact CB-O 3.46Å; C526-A868 PolarHBondContact N-O 2.91Å; C526-A868 PolarHBondContact O-N 2.74Å; I866-A868 PolarHBondContact O-N 3.16Å
869G56.2Low71.2Confident30 Ų3047 Ų4731%0.30926%0.256SS..SBendtrans91.94174.200000116.4A525A525-G869 WeakPolarHBondContact CB-O 3.43Å
870H56.1Low70.4Confident25 Ų2543.1 Ų43.112%0.11622%0.223CC..SBendtrans-100.4150.5176.8-165.6-97000110.8F344 A525 L867 N872 S873 Y874F344-H870 AromaticContact CD1-CD2 3.53Å; F344-H870 AromaticContact CE1-CD2 3.64Å; A525-H870 HydrophobicContact CB-CB 3.67Å; L867-H870 HydrophobicContact CD2-CB 4.27Å; L867-H870 HydrophobicContact CG-CB 4.49Å; H870-N872 PolarHBondContact ND1-N 3.18Å; H870-N872 PolarHBondContact O-N 3.23Å; H870-N872 VanDerWaalsContact O-N 3.17Å; H870-S873 WeakPolarHBondContact O-CA 3.33Å; H870-S873 VanDerWaalsContact O-CB 3.3Å; H870-S873 WeakPolarHBondContact O-CB 3.44Å; H870-S873 PolarHBondContact O-N 2.98Å; H870-Y874 WeakPolarHBondContact O-CD2 3.42Å
871E47.1Very low69.2Low141 Ų14144.4 Ų44.466%0.65923%0.225SC*.G310 helixtrans-57.2-31.9179.6-70.4-174.7169.100112.7S873E871-S873 PolarHBondContact O-N 3.19Å
872N42.2Very low67.7Low40 Ų4041.8 Ų41.821%0.21421%0.211CC..G310 helixtrans-75.31.5174.3-67.7-13.3000114.1H870H870-N872 PolarHBondContact ND1-N 3.18Å; H870-N872 PolarHBondContact O-N 3.23Å; H870-N872 VanDerWaalsContact O-N 3.17Å
873S37.8Very low65.8Low19 Ų1945.3 Ų45.313%0.13323%0.228CC..G310 helixtrans-1134.1-176-50.80000113.5L867 H870 E871L867-S873 WeakPolarHBondContact O-CB 3.47Å; L867-S873 PolarHBondContact O-OG 3Å; L867-S873 VanDerWaalsContact O-OG 3.05Å; H870-S873 WeakPolarHBondContact O-CA 3.33Å; H870-S873 VanDerWaalsContact O-CB 3.3Å; H870-S873 WeakPolarHBondContact O-CB 3.44Å; H870-S873 PolarHBondContact O-N 2.98Å; E871-S873 PolarHBondContact O-N 3.19Å
874Y34.2Very low63.4Low213 Ų21347.5 Ų47.584%0.83524%0.239SC*.  trans-122.50-178-73.6-72.7000113.4H870H870-Y874 WeakPolarHBondContact O-CD2 3.42Å

Retrieved 874 of 874 residues in 1778.3 ms (Link to these results)

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